*HEADER    CELL CYCLE                              24-MAR-04   1SSF              
*TITLE     SOLUTION STRUCTURE OF THE MOUSE 53BP1 FRAGMENT (RESIDUES              
*TITLE    2 1463-1617)                                                           
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: TRANSFORMATION RELATED PROTEIN 53 BINDING                  
*COMPND   3 PROTEIN 1;                                                           
*COMPND   4 CHAIN: A;                                                            
*COMPND   5 FRAGMENT: RESIDUES 1463-1617;                                        
*COMPND   6 SYNONYM: MURINE P53-BINDING PROTEIN;                                 
*COMPND   7 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: MUS MUSCULUS;                                   
*SOURCE   3 ORGANISM_COMMON: MOUSE;                                              
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   5 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   6 EXPRESSION_SYSTEM_STRAIN: BL21-GOLD(DE3);                            
*SOURCE   7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   8 EXPRESSION_SYSTEM_PLASMID: PDEST15                                   
*KEYWDS    TUDOR DOMAINS, TANDEM, SH3-LIKE FOLD, BETA BARREL, ALPHA-             
*KEYWDS   2 HELIX                                                                
*EXPDTA    NMR, 10 STRUCTURES                                                    
*AUTHOR    G.CHARIER, J.COUPRIE, B.ALPHA-BAZIN, V.MEYER, E.QUEMENEUR,            
*AUTHOR   2 R.GUEROIS, I.CALLEBAUT, B.GILQUIN, S.ZINN-JUSTIN                     
*REVDAT   1   14-SEP-04 1SSF    0                                                

! peak number c 3245  F1=  4.717  F2=  1.993   null   null  d=  3.1
assi (( resid  100 and name HA 
      ))
     (( resid  100 and name HB1 
      ))
           3.1 1.20 1.20
! peak number c 3244  F1=  4.714  F2=  2.134   null   null  d=  3.3
assi (( resid  100 and name HA 
      ))
     (( resid  100 and name HB2 
      ))
           3.3 1.36 1.36
! peak number c 3251  F1=  4.710  F2=  2.364   null   null  d=  3.5
assi (( resid  100 and name HA 
      ))
     (( resid  100 and name HG1 
      ))
           3.5 1.58 1.58
! peak number c 3252  F1=  4.707  F2=  2.288   null   null  d=  3.5
assi (( resid  100 and name HA 
      ))
     (( resid  100 and name HG2 
      ))
           3.5 1.49 1.49
! peak number n 740  F1=  4.735  F2=  7.835   null   null  d=  2.6
assi (( resid  100 and name HA 
      ))
     (( resid  100 and name HN 
      ))
           2.6 0.65 0.65
! peak number c 3806  F1=  4.710  F2=  1.364   null   null  d=  4.4
assi (( resid  100 and name HA 
      ))
     (( resid  101 and name HB2 
      ))
           4.4 2.42 2.42
! peak number c 394  F1=  5.042  F2=  4.707   null   null  d=  4.7
assi (( resid  100 and name HA 
      ))
     (( resid  96 and name HA 
      ))
           4.7 1.18 1.18
! peak number n 69  F1=  4.753  F2=  8.889   null   null  d=  3.4
assi (( resid  100 and name HA 
      ))
     (( resid  97 and name HN 
      ))
           3.4 0.85 0.85
! peak number c 3247  F1=  2.020  F2=  2.134   null   null  d=  2.3
assi (( resid  100 and name HB1 
      ))
     (( resid  100 and name HB2 
      ))
           2.29 0.66 0.66
! peak number c 3246  F1=  2.333  F2=  1.994   null   null  d=  2.6
assi (( resid  100 and name HB1 
      ))
     (( resid  100 and name HG1 
      ))
           2.6 0.85 0.85
! peak number n 729  F1=  2.031  F2=  7.836   null   null  d=  2.6
assi (( resid  100 and name HB1 
      ))
     (( resid  100 and name HN 
      ))
           2.6 0.85 0.85
! peak number n 1105  F1=  2.033  F2=  8.727   null   null  d=  3.4
assi (( resid  100 and name HB1 
      ))
     (( resid  101 and name HN 
      ))
           3.4 1.44 1.44
! peak number c 3248  F1=  2.337  F2=  2.136   null   null  d=  2.7
assi (( resid  100 and name HB2 
      ))
     (( resid  100 and name HG1 
      ))
           2.7 0.91 0.91
! peak number n 730  F1=  2.176  F2=  7.836   null   null  d=  2.9
assi (( resid  100 and name HB2 
      ))
     (( resid  100 and name HN 
      ))
           2.9 1.05 1.05
! peak number n 1106  F1=  2.162  F2=  8.724   null   null  d=  3.5
assi (( resid  100 and name HB2 
      ))
     (( resid  101 and name HN 
      ))
           3.5 1.53 1.53
! peak number c 3877  F1=  8.679  F2=  2.126   null   null  d=  4.5
assi (( resid  100 and name HB2 
      ))
     (( resid  99 and name HN 
      ))
           4.5 2.53 2.53
! peak number n 1242  F1=  6.898  F2=  7.594   null   null  d=  2.0
assi (( resid  100 and name HE21 
      ))
     (( resid  100 and name HE22 
      ))
           2 0.50 0.50
! peak number c 3253  F1=  7.579  F2=  2.365   null   null  d=  4.0
assi (( resid  100 and name HE21 
      ))
     (( resid  100 and name HG1 
      ))
           4 2.00 2.00
! peak number c 3254  F1=  7.587  F2=  2.276   null   null  d=  4.2
assi (( resid  100 and name HE21 
      ))
     (( resid  100 and name HG2 
      ))
           4.2 2.20 2.20
! peak number n 1246  F1=  2.883  F2=  7.591   null   null  d=  3.6
assi (( resid  100 and name HE21 
      ))
     (( resid  97 and name HE* 
      ))
           3.6 1.62 1.62
! peak number c 2137  F1=  7.586  F2=  1.486   null   null  d=  3.2
assi (( resid  100 and name HE21 
      ))
     (( resid  97 and name HG2 
      ))
           3.2 1.28 1.28
! peak number n 1250  F1=  2.292  F2=  6.898   null   null  d=  4.0
assi (( resid  100 and name HE22 
      ))
     (( resid  100 and name HG1 
      ))
           4 2.00 2.00
! peak number n 1251  F1=  2.399  F2=  6.897   null   null  d=  4.1
assi (( resid  100 and name HE22 
      ))
     (( resid  100 and name HG2 
      ))
           4.09 2.10 2.10
! peak number n 1252  F1=  2.768  F2=  6.904   null   null  d=  4.2
assi (( resid  100 and name HE22 
      ))
     (( resid  101 and name HD* 
      ))
           4.2 2.21 2.21
! peak number n 731  F1=  2.304  F2=  7.836   null   null  d=  3.0
assi (( resid  100 and name HG1 
      ))
     (( resid  100 and name HN 
      ))
           3 1.12 1.12
! peak number c 3257  F1=  8.683  F2=  2.363   null   null  d=  3.8
assi (( resid  100 and name HG1 
      ))
     (( resid  99 and name HN 
      ))
           3.8 1.81 1.81
! peak number n 732  F1=  2.405  F2=  7.836   null   null  d=  3.2
assi (( resid  100 and name HG2 
      ))
     (( resid  100 and name HN 
      ))
           3.2 1.28 1.28
! peak number c 3258  F1=  8.695  F2=  2.275   null   null  d=  4.6
assi (( resid  100 and name HG2 
      ))
     (( resid  101 and name HN 
      ))
           4.59 2.59 2.59
! peak number n 735  F1=  5.079  F2=  7.835   null   null  d=  4.3
assi (( resid  100 and name HN 
      ))
     (( resid  96 and name HA 
      ))
           4.3 1.07 1.07
! peak number n 727  F1=  1.735  F2=  7.837   null   null  d=  3.8
assi (( resid  100 and name HN 
      ))
     (( resid  96 and name HG1 
      ))
           3.8 1.80 1.80
! peak number n 728  F1=  1.930  F2=  7.837   null   null  d=  3.5
assi (( resid  100 and name HN 
      ))
     (( resid  97 and name HB2 
      ))
           3.5 1.53 1.53
! peak number n 66  F1=  7.831  F2=  8.888   null   null  d=  3.1
assi (( resid  100 and name HN 
      ))
     (( resid  97 and name HN 
      ))
           3.1 0.77 0.77
! peak number n 733  F1=  3.613  F2=  7.835   null   null  d=  3.4
assi (( resid  100 and name HN 
      ))
     (( resid  99 and name HA1 
      ))
           3.4 0.85 0.85
! peak number n 734  F1=  4.135  F2=  7.837   null   null  d=  3.5
assi (( resid  100 and name HN 
      ))
     (( resid  99 and name HA2 
      ))
           3.5 0.88 0.88
! peak number n 270  F1=  7.828  F2=  8.707   null   null  d=  3.0
assi (( resid  100 and name HN 
      ))
     (( resid  99 and name HN 
      ))
           3 0.76 0.76
! peak number c 3262  F1=  5.183  F2=  1.256   null   null  d=  4.2
assi (( resid  101 and name HA 
      ))
     (( resid  101 and name HB1 
      ))
           4.2 2.15 2.15
! peak number c 3261  F1=  5.189  F2=  1.370   null   null  d=  3.9
assi (( resid  101 and name HA 
      ))
     (( resid  101 and name HB2 
      ))
           3.9 1.95 1.95
! peak number c 3275  F1=  5.174  F2=  2.778   null   null  d=  4.3
assi (( resid  101 and name HA 
      ))
     (( resid  101 and name HD* 
      ))
           4.3 2.37 2.37
! peak number c 3173  F1=  5.186  F2=  1.011   null   null  d=  4.2
assi (( resid  101 and name HA 
      ))
     (( resid  101 and name HG1 
      ))
           4.2 2.21 2.21
! peak number c 3271  F1=  5.176  F2=  1.491   null   null  d=  3.8
assi (( resid  101 and name HA 
      ))
     (( resid  101 and name HG2 
      ))
           3.8 1.76 1.76
! peak number n 1108  F1=  5.214  F2=  8.726   null   null  d=  3.8
assi (( resid  101 and name HA 
      ))
     (( resid  101 and name HN 
      ))
           3.8 0.95 0.95
! peak number c 398  F1=  1.652  F2=  5.201   null   null  d=  4.7
assi (( resid  101 and name HA 
      ))
     (( resid  102 and name HB* 
      ))
           4.7 2.76 2.76
! peak number n 1161  F1=  5.215  F2=  8.055   null   null  d=  2.8
assi (( resid  101 and name HA 
      ))
     (( resid  102 and name HN 
      ))
           2.8 0.70 0.70
! peak number c 3196  F1=  5.207  F2=  0.399   null   null  d=  4.3
assi (( resid  101 and name HA 
      ))
     (( resid  95 and name HD1* 
      ))
           4.3 2.31 2.31
! peak number c 224  F1=  5.190  F2=  5.060   null   null  d=  3.8
assi (( resid  101 and name HA 
      ))
     (( resid  96 and name HA 
      ))
           3.8 0.94 0.94
! peak number n 67  F1=  5.201  F2=  8.883   null   null  d=  3.3
assi (( resid  101 and name HA 
      ))
     (( resid  97 and name HN 
      ))
           3.3 0.82 0.82
! peak number c 3264  F1=  2.766  F2=  1.243   null   null  d=  3.6
assi (( resid  101 and name HB1 
      ))
     (( resid  101 and name HD* 
      ))
           3.6 1.62 1.62
! peak number c 3169  F1=  1.225  F2=  1.015   null   null  d=  3.6
assi (( resid  101 and name HB1 
      ))
     (( resid  101 and name HG1 
      ))
           3.6 1.67 1.67
! peak number c 3267  F1=  8.698  F2=  1.256   null   null  d=  4.0
assi (( resid  101 and name HB1 
      ))
     (( resid  101 and name HN 
      ))
           4 2.00 2.00
! peak number c 3266  F1=  8.050  F2=  1.252   null   null  d=  4.8
assi (( resid  101 and name HB1 
      ))
     (( resid  102 and name HN 
      ))
           4.8 2.88 2.88
! peak number c 220  F1=  1.295  F2=  5.074   null   null  d=  4.4
assi (( resid  101 and name HB1 
      ))
     (( resid  96 and name HA 
      ))
           4.4 2.42 2.42
! peak number c 3263  F1=  2.766  F2=  1.362   null   null  d=  3.9
assi (( resid  101 and name HB2 
      ))
     (( resid  101 and name HD* 
      ))
           3.9 1.90 1.90
! peak number c 3270  F1=  1.031  F2=  1.363   null   null  d=  4.1
assi (( resid  101 and name HB2 
      ))
     (( resid  101 and name HG1 
      ))
           4.09 2.10 2.10
! peak number c 3268  F1=  8.709  F2=  1.381   null   null  d=  4.5
assi (( resid  101 and name HB2 
      ))
     (( resid  101 and name HN 
      ))
           4.5 2.48 2.48
! peak number c 3265  F1=  8.025  F2=  1.383   null   null  d=  4.5
assi (( resid  101 and name HB2 
      ))
     (( resid  102 and name HN 
      ))
           4.5 2.53 2.53
! peak number c 1280  F1=  1.362  F2=  7.021   null   null  d=  5.2
assi (( resid  101 and name HB2 
      ))
     (( resid  103 and name HZ2 
      ))
           5.2 3.38 3.38
! peak number c 3172  F1=  2.799  F2=  1.006   null   null  d=  3.5
assi (( resid  101 and name HD* 
      ))
     (( resid  101 and name HG1 
      ))
           3.5 1.53 1.53
! peak number c 3274  F1=  1.506  F2=  2.786   null   null  d=  3.4
assi (( resid  101 and name HD* 
      ))
     (( resid  101 and name HG2 
      ))
           3.4 1.44 1.44
! peak number c 3861  F1=  1.918  F2=  2.784   null   null  d=  4.5
assi (( resid  101 and name HD* 
      ))
     (( resid  96 and name HB2 
      ))
           4.5 2.53 2.53
! peak number c 3170  F1=  1.492  F2=  1.013   null   null  d=  3.4
assi (( resid  101 and name HG1 
      ))
     (( resid  101 and name HG2 
      ))
           3.4 1.44 1.44
! peak number n 1110  F1=  1.039  F2=  8.735   null   null  d=  3.8
assi (( resid  101 and name HG1 
      ))
     (( resid  101 and name HN 
      ))
           3.8 1.80 1.80
! peak number n 1104  F1=  1.531  F2=  8.721   null   null  d=  3.9
assi (( resid  101 and name HG2 
      ))
     (( resid  101 and name HN 
      ))
           3.9 1.90 1.90
! peak number c 3281  F1=  4.402  F2=  1.651   null   null  d=  2.9
assi (( resid  102 and name HA 
      ))
     (( resid  102 and name HB* 
      ))
           2.9 1.05 1.05
! peak number c 2251  F1=  4.361  F2=  1.576   null   null  d=  3.9
assi (( resid  102 and name HA 
      ))
     (( resid  102 and name HD* 
      ))
           3.9 1.90 1.90
! peak number c 406  F1=  2.839  F2=  4.387   null   null  d=  4.6
assi (( resid  102 and name HA 
      ))
     (( resid  102 and name HE* 
      ))
           4.59 2.64 2.64
! peak number c 403  F1=  1.224  F2=  4.399   null   null  d=  3.5
assi (( resid  102 and name HA 
      ))
     (( resid  102 and name HG1 
      ))
           3.5 1.53 1.53
! peak number c 404  F1=  1.360  F2=  4.402   null   null  d=  3.8
assi (( resid  102 and name HA 
      ))
     (( resid  102 and name HG2 
      ))
           3.8 1.80 1.80
! peak number n 1159  F1=  4.423  F2=  8.053   null   null  d=  3.3
assi (( resid  102 and name HA 
      ))
     (( resid  102 and name HN 
      ))
           3.3 0.82 0.82
! peak number c 1275  F1=  4.384  F2=  7.321   null   null  d=  5.8 dist trop loin
! peak number n 964  F1=  4.419  F2=  8.449   null   null  d=  2.4
assi (( resid  102 and name HA 
      ))
     (( resid  103 and name HN 
      ))
           2.4 0.60 0.60
! peak number c 3277  F1=  2.854  F2=  1.657   null   null  d=  3.3
assi (( resid  102 and name HB* 
      ))
     (( resid  102 and name HE* 
      ))
           3.3 1.36 1.36
! peak number c 3276  F1=  1.225  F2=  1.658   null   null  d=  2.9
assi (( resid  102 and name HB* 
      ))
     (( resid  102 and name HG1 
      ))
           2.9 1.05 1.05
! peak number c 3278  F1=  1.388  F2=  1.657   null   null  d=  3.0
assi (( resid  102 and name HB* 
      ))
     (( resid  102 and name HG2 
      ))
           3 1.12 1.12
! peak number c 3286  F1=  8.038  F2=  1.649   null   null  d=  3.3
assi (( resid  102 and name HB* 
      ))
     (( resid  102 and name HN 
      ))
           3.3 1.36 1.36
! peak number c 3287  F1=  8.428  F2=  1.651   null   null  d=  3.0
assi (( resid  102 and name HB* 
      ))
     (( resid  103 and name HN 
      ))
           3 1.12 1.12
! peak number c 3845  F1=  3.056  F2=  1.664   null   null  d=  5.2
assi (( resid  102 and name HB* 
      ))
     (( resid  104 and name HB2) or ( resid 103 and name HB2 
      ))
           5.2 3.38 3.38
! peak number c 3285  F1=  7.185  F2=  1.654   null   null  d=  4.3
assi (( resid  102 and name HB* 
      ))
     (( resid  104 and name HD* 
      ))
           4.3 2.31 2.31
! peak number c 1268  F1=  1.639  F2=  6.639   null   null  d=  3.1
assi (( resid  102 and name HB* 
      ))
     (( resid  104 and name HE* 
      ))
           3.1 1.20 1.20
! peak number c 3282  F1=  4.713  F2=  1.666   null   null  d=  4.2
assi (( resid  102 and name HB* 
      ))
     (( resid  95 and name HA 
      ))
           4.2 2.21 2.21
! peak number c 3279  F1=  0.405  F2=  1.651   null   null  d=  4.4
assi (( resid  102 and name HB* 
      ))
     (( resid  95 and name HD1* 
      ))
           4.4 2.42 2.42
! peak number c 3839  F1=  1.907  F2=  1.636   null   null  d=  3.2
assi (( resid  102 and name HB* 
      ))
     (( resid  96 and name HB2) or ( resid 108 and name HB* 
      ))
           3.2 1.28 1.28
! peak number c 3150  F1=  1.598  F2=  2.856   null   null  d=  2.2
assi (( resid  102 and name HD* 
      ))
     (( resid  102 and name HE* 
      ))
           2.2 0.61 0.61
! peak number c 2255  F1=  1.361  F2=  1.569   null   null  d=  2.0
assi (( resid  102 and name HD* 
      ))
     (( resid  102 and name HG2 
      ))
           2 0.50 0.50
! peak number c 2385  F1=  2.232  F2=  1.569   null   null  d=  3.0
assi (( resid  102 and name HD* 
      ))
     (( resid  98 and name HB2 
      ))
           3 1.12 1.12
! peak number n 959  F1=  1.245  F2=  8.450   null   null  d=  3.3
assi (( resid  102 and name HG1 
      ))
     (( resid  103 and name HN 
      ))
           3.3 1.36 1.36
! peak number c 1267  F1=  1.200  F2=  6.638   null   null  d=  4.3
assi (( resid  102 and name HG1 
      ))
     (( resid  104 and name HE* 
      ))
           4.3 2.31 2.31
! peak number n 1163  F1=  1.278  F2=  8.049   null   null  d=  3.4
assi (( resid  102 and name HG1) or ( resid 101 and name HB1 
      ))
     (( resid  102 and name HN 
      ))
           3.4 1.44 1.44
! peak number n 960  F1=  1.377  F2=  8.444   null   null  d=  3.9
assi (( resid  102 and name HG2 
      ))
     (( resid  103 and name HN 
      ))
           3.9 1.90 1.90
! peak number c 1273  F1=  8.039  F2=  6.640   null   null  d=  4.6
assi (( resid  102 and name HN 
      ))
     (( resid  104 and name HE* 
      ))
           4.59 2.64 2.64
! peak number n 1170  F1=  8.991  F2=  8.056   null   null  d=  3.3
assi (( resid  102 and name HN 
      ))
     (( resid  95 and name HN 
      ))
           3.3 0.84 0.84
! peak number n 1160  F1=  5.085  F2=  8.052   null   null  d=  3.5
assi (( resid  102 and name HN 
      ))
     (( resid  96 and name HA 
      ))
           3.5 0.88 0.88
! peak number n 1169  F1=  8.872  F2=  8.071   null   null  d=  3.7
assi (( resid  102 and name HN 
      ))
     (( resid  97 and name HN 
      ))
           3.7 0.93 0.93
! peak number c 3291  F1=  5.583  F2=  2.928   null   null  d=  4.1
assi (( resid  103 and name HA 
      ))
     (( resid  103 and name HB1 
      ))
           4.09 2.10 2.10
! peak number c 3290  F1=  5.582  F2=  3.055   null   null  d=  4.3
assi (( resid  103 and name HA 
      ))
     (( resid  103 and name HB2 
      ))
           4.3 2.31 2.31
! peak number c 1111  F1=  5.569  F2=  7.295   null   null  d=  4.9
assi (( resid  103 and name HA 
      ))
     (( resid  103 and name HE3 
      ))
           4.9 3.00 3.00
! peak number n 965  F1=  5.590  F2=  8.447   null   null  d=  3.3
assi (( resid  103 and name HA 
      ))
     (( resid  103 and name HN 
      ))
           3.3 0.82 0.82
! peak number n 1127  F1=  5.591  F2=  10.007   null   null  d=  2.8
assi (( resid  103 and name HA 
      ))
     (( resid  104 and name HN 
      ))
           2.8 0.70 0.70
! peak number c 367  F1=  5.569  F2=  4.125   null   null  d=  3.6
assi (( resid  103 and name HA 
      ))
     (( resid  94 and name HA 
      ))
           3.6 0.90 0.90
! peak number c 410  F1=  2.699  F2=  5.591   null   null  d=  4.7
assi (( resid  103 and name HA 
      ))
     (( resid  94 and name HB2) or ( resid 92 and name HB1) or ( resid 104 and name HB1 
      ))
           4.7 2.76 2.76
! peak number n 31  F1=  5.594  F2=  8.993   null   null  d=  3.6
assi (( resid  103 and name HA 
      ))
     (( resid  95 and name HN 
      ))
           3.6 0.90 0.90
! peak number c 1106  F1=  2.920  F2=  7.327   null   null  d=  4.0
assi (( resid  103 and name HB1 
      ))
     (( resid  103 and name HD1 
      ))
           4 2.00 2.00
! peak number c 3289  F1=  7.302  F2=  2.926   null   null  d=  3.7
assi (( resid  103 and name HB1 
      ))
     (( resid  103 and name HE3 
      ))
           3.7 1.71 1.71
! peak number n 962  F1=  2.964  F2=  8.450   null   null  d=  3.3
assi (( resid  103 and name HB1 
      ))
     (( resid  103 and name HN 
      ))
           3.3 1.36 1.36
! peak number c 368  F1=  2.920  F2=  4.113   null   null  d=  5.5 dist trop loin
! peak number c 1107  F1=  3.046  F2=  7.329   null   null  d=  3.9
assi (( resid  103 and name HB2 
      ))
     (( resid  103 and name HD1 
      ))
           3.9 1.95 1.95
! peak number c 3856  F1=  8.416  F2=  3.054   null   null  d=  3.4
assi (( resid  103 and name HB2 
      ))
     (( resid  103 and name HN 
      ))
           3.4 1.40 1.40
! peak number c 1104  F1=  10.240  F2=  7.329   null   null  d=  5.4 dist trop loin
! peak number c 1274  F1=  8.440  F2=  7.327   null   null  d=  3.5
assi (( resid  103 and name HD1 
      ))
     (( resid  103 and name HN 
      ))
           3.5 1.58 1.58
! peak number c 1126  F1=  7.278  F2=  7.506   null   null  d=  5.8 dist trop loin
! peak number c 1108  F1=  6.724  F2=  7.292   null   null  d=  4.2
assi (( resid  103 and name HE3 
      ))
     (( resid  103 and name HZ3 
      ))
           4.2 2.15 2.15
! peak number c 1278  F1=  9.986  F2=  7.287   null   null  d=  4.2
assi (( resid  103 and name HE3 
      ))
     (( resid  104 and name HN 
      ))
           4.2 2.15 2.15
! peak number c 1277  F1=  5.267  F2=  7.291   null   null  d=  5.0
assi (( resid  103 and name HE3 
      ))
     (( resid  92 and name HA 
      ))
           5 3.12 3.12
! peak number c 1276  F1=  2.692  F2=  7.291   null   null  d=  3.9
assi (( resid  103 and name HE3 
      ))
     (( resid  92 and name HB1 
      ))
           3.9 1.90 1.90
! peak number c 1112  F1=  2.938  F2=  7.289   null   null  d=  3.4
assi (( resid  103 and name HE3 
      ))
     (( resid  92 and name HB2 
      ))
           3.4 1.44 1.44
! peak number c 1109  F1=  6.913  F2=  7.291   null   null  d=  5.2
assi (( resid  103 and name HE3 
      ))
     (( resid  92 and name HD* 
      ))
           5.2 3.38 3.38
! peak number c 1124  F1=  7.021  F2=  7.497   null   null  d=  3.2
assi (( resid  103 and name HH2 
      ))
     (( resid  103 and name HZ2 
      ))
           3.2 1.28 1.28
! peak number c 1125  F1=  6.725  F2=  7.500   null   null  d=  4.5
assi (( resid  103 and name HH2 
      ))
     (( resid  103 and name HZ3 
      ))
           4.5 2.53 2.53
! peak number c 3090  F1=  7.472  F2=  2.336   null   null  d=  5.2
assi (( resid  103 and name HH2 
      ))
     (( resid  85 and name HD1 
      ))
           5.2 3.38 3.38
! peak number c 1283  F1=  1.939  F2=  7.494   null   null  d=  5.0
assi (( resid  103 and name HH2 
      ))
     (( resid  85 and name HD2 
      ))
           5 3.12 3.12
! peak number c 3805  F1=  7.013  F2=  1.408   null   null  d=  4.2
assi (( resid  103 and name HZ2 
      ))
     (( resid  85 and name HB1 
      ))
           4.2 2.21 2.21
! peak number c 1310  F1=  7.048  F2=  6.893   null   null  d=  3.6
assi (( resid  103 and name HZ2 
      ))
     (( resid  92 and name HD* 
      ))
           3.6 1.62 1.62
! peak number n 978  F1=  6.738  F2=  9.180   null   null  d=  3.1
assi (( resid  103 and name HZ3 
      ))
     (( resid  85 and name HN 
      ))
           3.1 1.20 1.20
! peak number c 1116  F1=  6.918  F2=  6.753   null   null  d=  2.9
assi (( resid  103 and name HZ3 
      ))
     (( resid  92 and name HD* 
      ))
           2.9 1.05 1.05
! peak number n 831  F1=  6.726  F2=  8.330   null   null  d=  3.7
assi (( resid  103 and name HZ3 
      ))
     (( resid  94 and name HN 
      ))
           3.7 1.71 1.71
! peak number c 3297  F1=  4.954  F2=  2.673   null   null  d=  4.0
assi (( resid  104 and name HA 
      ))
     (( resid  104 and name HB1 
      ))
           4 2.00 2.00
! peak number c 3296  F1=  4.959  F2=  3.069   null   null  d=  3.7
assi (( resid  104 and name HA 
      ))
     (( resid  104 and name HB2 
      ))
           3.7 1.71 1.71
! peak number c 1060  F1=  4.973  F2=  7.196   null   null  d=  4.0
assi (( resid  104 and name HA 
      ))
     (( resid  104 and name HD* 
      ))
           4 2.00 2.00
! peak number c 1270  F1=  4.996  F2=  6.644   null   null  d=  5.8 dist trop loin
! peak number n 1126  F1=  4.992  F2=  10.008   null   null  d=  3.3
assi (( resid  104 and name HA 
      ))
     (( resid  104 and name HN 
      ))
           3.3 0.82 0.82
! peak number n 1111  F1=  4.989  F2=  9.132   null   null  d=  2.5
assi (( resid  104 and name HA 
      ))
     (( resid  105 and name HN 
      ))
           2.5 0.62 0.62
! peak number c 414  F1=  1.935  F2=  4.969   null   null  d=  4.0
assi (( resid  104 and name HA 
      ))
     (( resid  108 and name HB*) or ( resid 105 and name HB2 
      ))
           4 2.00 2.00
! peak number n 1067  F1=  4.990  F2=  8.163   null   null  d=  4.1
assi (( resid  104 and name HA 
      ))
     (( resid  108 and name HN 
      ))
           4.09 1.02 1.02
! peak number c 415  F1=  0.254  F2=  4.972   null   null  d=  4.5
assi (( resid  104 and name HA 
      ))
     (( resid  109 and name HG1* 
      ))
           4.5 2.53 2.53
! peak number c 417  F1=  0.700  F2=  4.961   null   null  d=  4.7
assi (( resid  104 and name HA 
      ))
     (( resid  109 and name HG2* 
      ))
           4.7 2.76 2.76
! peak number c 412  F1=  2.949  F2=  4.974   null   null  d=  5.1
assi (( resid  104 and name HA 
      ))
     (( resid  92 and name HB2) or ( resid 103 and name HB1 
      ))
           5.09 3.25 3.25
! peak number c 416  F1=  0.395  F2=  4.978   null   null  d=  4.4
assi (( resid  104 and name HA 
      ))
     (( resid  95 and name HD1* 
      ))
           4.4 2.42 2.42
! peak number c 3298  F1=  3.094  F2=  2.686   null   null  d=  4.0
assi (( resid  104 and name HB1 
      ))
     (( resid  104 and name HB2 
      ))
           4 2.05 2.05
! peak number c 1058  F1=  2.689  F2=  7.196   null   null  d=  3.8
assi (( resid  104 and name HB1 
      ))
     (( resid  104 and name HD* 
      ))
           3.8 1.76 1.76
! peak number c 3293  F1=  9.972  F2=  2.685   null   null  d=  3.8
assi (( resid  104 and name HB1 
      ))
     (( resid  104 and name HN 
      ))
           3.8 1.81 1.81
! peak number n 1120  F1=  2.717  F2=  9.131   null   null  d=  3.4
assi (( resid  104 and name HB1 
      ))
     (( resid  105 and name HN 
      ))
           3.4 1.44 1.44
! peak number c 3300  F1=  1.933  F2=  2.682   null   null  d=  3.5
assi (( resid  104 and name HB1 
      ))
     (( resid  108 and name HB* 
      ))
           3.5 1.58 1.58
! peak number c 3377  F1=  2.693  F2=  0.697   null   null  d=  3.5
assi (( resid  104 and name HB1 
      ))
     (( resid  109 and name HG2* 
      ))
           3.5 1.49 1.49
! peak number c 1263  F1=  3.091  F2=  7.199   null   null  d=  3.5
assi (( resid  104 and name HB2 
      ))
     (( resid  104 and name HD* 
      ))
           3.5 1.58 1.58
! peak number c 3292  F1=  9.982  F2=  3.066   null   null  d=  3.8
assi (( resid  104 and name HB2 
      ))
     (( resid  104 and name HN 
      ))
           3.8 1.76 1.76
! peak number c 424  F1=  3.069  F2=  3.997   null   null  d=  5.4 dist trop loin
! peak number c 3307  F1=  3.069  F2=  1.790   null   null  d=  4.2
assi (( resid  104 and name HB2 
      ))
     (( resid  105 and name HB1 
      ))
           4.2 2.21 2.21
! peak number c 3310  F1=  3.068  F2=  1.952   null   null  d=  4.3
assi (( resid  104 and name HB2 
      ))
     (( resid  105 and name HB2 
      ))
           4.3 2.31 2.31
! peak number n 1114  F1=  3.103  F2=  9.129   null   null  d=  3.1
assi (( resid  104 and name HB2 
      ))
     (( resid  105 and name HN 
      ))
           3.1 1.20 1.20
! peak number c 3333  F1=  3.069  F2=  2.568   null   null  d=  4.4
assi (( resid  104 and name HB2 
      ))
     (( resid  107 and name HG1 
      ))
           4.4 2.42 2.42
! peak number c 3332  F1=  3.067  F2=  2.689   null   null  d=  4.2
assi (( resid  104 and name HB2 
      ))
     (( resid  107 and name HG2 
      ))
           4.2 2.21 2.21
! peak number c 3302  F1=  1.911  F2=  3.072   null   null  d=  3.4
assi (( resid  104 and name HB2 
      ))
     (( resid  108 and name HB* 
      ))
           3.4 1.40 1.40
! peak number c 3375  F1=  3.071  F2=  0.695   null   null  d=  3.5
assi (( resid  104 and name HB2 
      ))
     (( resid  109 and name HG2* 
      ))
           3.5 1.53 1.53
! peak number c 1062  F1=  6.623  F2=  7.198   null   null  d=  2.8
assi (( resid  104 and name HD* 
      ))
     (( resid  104 and name HE* 
      ))
           2.8 0.98 0.98
! peak number c 1061  F1=  9.999  F2=  7.196   null   null  d=  3.7
assi (( resid  104 and name HD* 
      ))
     (( resid  104 and name HN 
      ))
           3.7 1.67 1.67
! peak number n 1218  F1=  7.199  F2=  9.135   null   null  d=  3.5
assi (( resid  104 and name HD* 
      ))
     (( resid  105 and name HN 
      ))
           3.5 1.53 1.53
! peak number c 1261  F1=  1.937  F2=  7.196   null   null  d=  3.2
assi (( resid  104 and name HD* 
      ))
     (( resid  108 and name HB* 
      ))
           3.2 1.32 1.32
! peak number c 2887  F1=  7.174  F2=  0.404   null   null  d=  3.8
assi (( resid  104 and name HD* 
      ))
     (( resid  69 and name HB* 
      ))
           3.8 1.80 1.80
! peak number c 1262  F1=  2.886  F2=  7.193   null   null  d=  4.9
assi (( resid  104 and name HD* 
      ))
     (( resid  93 and name HB* 
      ))
           4.9 3.00 3.00
! peak number c 3165  F1=  7.182  F2=  2.005   null   null  d=  3.4
assi (( resid  104 and name HD* 
      ))
     (( resid  95 and name HB 
      ))
           3.4 1.44 1.44
! peak number c 1260  F1=  0.395  F2=  7.196   null   null  d=  3.2
assi (( resid  104 and name HD* 
      ))
     (( resid  95 and name HD1*) or ( resid 69 and name HB* 
      ))
           3.2 1.28 1.28
! peak number c 3174  F1=  7.175  F2=  1.002   null   null  d=  4.0
assi (( resid  104 and name HD* 
      ))
     (( resid  95 and name HG11 
      ))
           4 2.00 2.00
! peak number c 3175  F1=  7.177  F2=  1.171   null   null  d=  3.8
assi (( resid  104 and name HD* 
      ))
     (( resid  95 and name HG12 
      ))
           3.8 1.80 1.80
! peak number n 33  F1=  7.192  F2=  8.994   null   null  d=  3.7
assi (( resid  104 and name HD* 
      ))
     (( resid  95 and name HN 
      ))
           3.7 1.71 1.71
! peak number c 1266  F1=  0.394  F2=  6.640   null   null  d=  3.4
assi (( resid  104 and name HE* 
      ))
     (( resid  69 and name HB* 
      ))
           3.4 1.45 1.45
! peak number c 1269  F1=  1.986  F2=  6.639   null   null  d=  3.5
assi (( resid  104 and name HE* 
      ))
     (( resid  95 and name HB 
      ))
           3.5 1.49 1.49
! peak number c 3697  F1=  6.618  F2=  0.397   null   null  d=  4.7
assi (( resid  104 and name HE* 
      ))
     (( resid  95 and name HD1* 
      ))
           4.7 2.76 2.76
! peak number c 3186  F1=  6.620  F2=  0.385   null   null  d=  3.7
assi (( resid  104 and name HE* 
      ))
     (( resid  95 and name HG2* 
      ))
           3.7 1.71 1.71
! peak number c 1272  F1=  8.986  F2=  6.640   null   null  d=  3.8
assi (( resid  104 and name HE* 
      ))
     (( resid  95 and name HN 
      ))
           3.8 1.85 1.85
! peak number n 1132  F1=  9.123  F2=  9.997   null   null  d=  4.3
assi (( resid  104 and name HN 
      ))
     (( resid  105 and name HN 
      ))
           4.3 1.07 1.07
! peak number n 1122  F1=  2.944  F2=  10.006   null   null  d=  3.2
assi (( resid  104 and name HN 
      ))
     (( resid  92 and name HB2) or ( resid 103 and name HB1 
      ))
           3.2 1.28 1.28
! peak number n 1131  F1=  9.889  F2=  10.005   null   null  d=  3.9
assi (( resid  104 and name HN 
      ))
     (( resid  93 and name HN 
      ))
           3.9 0.98 0.98
! peak number n 1291  F1=  4.141  F2=  10.012   null   null  d=  5.3
assi (( resid  104 and name HN 
      ))
     (( resid  94 and name HA 
      ))
           5.3 1.32 1.32
! peak number n 1125  F1=  0.442  F2=  10.002   null   null  d=  3.9
assi (( resid  104 and name HN 
      ))
     (( resid  95 and name HD1* 
      ))
           3.9 1.90 1.90
! peak number n 1124  F1=  1.054  F2=  10.004   null   null  d=  4.1
assi (( resid  104 and name HN 
      ))
     (( resid  95 and name HG11 
      ))
           4.09 2.10 2.10
! peak number c 3305  F1=  3.998  F2=  1.793   null   null  d=  3.8
assi (( resid  105 and name HA 
      ))
     (( resid  105 and name HB1 
      ))
           3.8 1.80 1.80
! peak number c 3306  F1=  3.996  F2=  1.952   null   null  d=  3.2
assi (( resid  105 and name HA 
      ))
     (( resid  105 and name HB2 
      ))
           3.2 1.32 1.32
! peak number n 1118  F1=  4.025  F2=  9.132   null   null  d=  3.3
assi (( resid  105 and name HA 
      ))
     (( resid  105 and name HN 
      ))
           3.3 0.82 0.82
! peak number c 359  F1=  3.988  F2=  5.293   null   null  d=  3.5
assi (( resid  105 and name HA 
      ))
     (( resid  92 and name HA 
      ))
           3.5 0.89 0.89
! peak number c 423  F1=  2.969  F2=  4.000   null   null  d=  5.7 dist trop loin
! peak number c 1300  F1=  3.984  F2=  6.752   null   null  d=  5.1
assi (( resid  105 and name HA 
      ))
     (( resid  93 and name HE* 
      ))
           5.09 3.25 3.25
! peak number n 1282  F1=  4.030  F2=  9.909   null   null  d=  3.7
assi (( resid  105 and name HA 
      ))
     (( resid  93 and name HN 
      ))
           3.7 0.93 0.93
! peak number c 3304  F1=  9.111  F2=  1.789   null   null  d=  3.3
assi (( resid  105 and name HB1 
      ))
     (( resid  105 and name HN 
      ))
           3.3 1.36 1.36
! peak number n 936  F1=  1.819  F2=  7.929   null   null  d=  3.3
assi (( resid  105 and name HB1 
      ))
     (( resid  106 and name HN 
      ))
           3.3 1.36 1.36
! peak number c 3324  F1=  1.772  F2=  2.567   null   null  d=  4.9
assi (( resid  105 and name HB1 
      ))
     (( resid  107 and name HG1 
      ))
           4.9 3.00 3.00
! peak number c 3323  F1=  1.776  F2=  2.686   null   null  d=  4.9
assi (( resid  105 and name HB1 
      ))
     (( resid  107 and name HG2 
      ))
           4.9 3.00 3.00
! peak number n 392  F1=  1.802  F2=  8.859   null   null  d=  3.4
assi (( resid  105 and name HB1 
      ))
     (( resid  107 and name HN 
      ))
           3.4 1.44 1.44
! peak number c 3303  F1=  9.121  F2=  1.959   null   null  d=  3.2
assi (( resid  105 and name HB2 
      ))
     (( resid  105 and name HN 
      ))
           3.2 1.28 1.28
! peak number c 3325  F1=  1.950  F2=  2.566   null   null  d=  4.4
assi (( resid  105 and name HB2 
      ))
     (( resid  107 and name HG1 
      ))
           4.4 2.42 2.42
! peak number c 3309  F1=  2.669  F2=  1.952   null   null  d=  4.4
assi (( resid  105 and name HB2 
      ))
     (( resid  107 and name HG2 
      ))
           4.4 2.42 2.42
! peak number c 362  F1=  1.980  F2=  5.299   null   null  d=  5.6 dist trop loin
! peak number c 3341  F1=  9.105  F2=  1.924   null   null  d=  3.8
assi (( resid  105 and name HN 
      ))
     (( resid  108 and name HB* 
      ))
           3.8 1.80 1.80
! peak number n 1116  F1=  1.516  F2=  9.133   null   null  d=  3.2
assi (( resid  105 and name HN 
      ))
     (( resid  91 and name HB1 
      ))
           3.2 1.28 1.28
! peak number n 1217  F1=  6.889  F2=  9.135   null   null  d=  4.2
assi (( resid  105 and name HN 
      ))
     (( resid  92 and name HD* 
      ))
           4.2 2.21 2.21
! peak number c 427  F1=  1.955  F2=  4.048   null   null  d=  4.7
assi (( resid  106 and name HA 
      ))
     (( resid  106 and name HB1 
      ))
           4.7 2.76 2.76
! peak number c 426  F1=  0.479  F2=  4.036   null   null  d=  4.4
assi (( resid  106 and name HA 
      ))
     (( resid  91 and name HD1* 
      ))
           4.4 2.42 2.42
! peak number c 1292  F1=  4.046  F2=  7.144   null   null  d=  4.7
assi (( resid  106 and name HA 
      ))
     (( resid  93 and name HD* 
      ))
           4.7 2.76 2.76
! peak number n 940  F1=  4.032  F2=  7.928   null   null  d=  2.7
assi (( resid  106 and name HA) or ( resid 105 and name HA 
      ))
     (( resid  106 and name HN 
      ))
           2.7 0.91 0.91
! peak number c 3133  F1=  7.954  F2=  1.993   null   null  d=  3.3
assi (( resid  106 and name HB1 
      ))
     (( resid  106 and name HN 
      ))
           3.3 1.36 1.36
! peak number c 3356  F1=  0.463  F2=  1.961   null   null  d=  4.2
assi (( resid  106 and name HB1 
      ))
     (( resid  91 and name HD1* 
      ))
           4.2 2.21 2.21
! peak number n 937  F1=  1.992  F2=  7.926   null   null  d=  2.9
assi (( resid  106 and name HB1) or ( resid 105 and name HB2 
      ))
     (( resid  106 and name HN 
      ))
           2.9 1.05 1.05
! peak number n 393  F1=  1.995  F2=  8.864   null   null  d=  3.0
assi (( resid  106 and name HB1) or ( resid 105 and name HB2 
      ))
     (( resid  107 and name HN 
      ))
           3 1.12 1.12
! peak number c 2493  F1=  2.157  F2=  2.988   null   null  d=  3.4
assi (( resid  106 and name HB2 
      ))
     (( resid  43 and name HB1 
      ))
           3.4 1.44 1.44
! peak number c 2503  F1=  2.125  F2=  2.620   null   null  d=  4.4
assi (( resid  106 and name HB2 
      ))
     (( resid  44 and name HB2 
      ))
           4.4 2.42 2.42
! peak number c 3878  F1=  2.878  F2=  2.134   null   null  d=  5.1
assi (( resid  106 and name HB2) or ( resid 100 and name HB2 
      ))
     (( resid  93 and name HB2) or ( resid 102 and name HE* 
      ))
           5.09 3.25 3.25
! peak number n 401  F1=  7.916  F2=  8.866   null   null  d=  3.8
assi (( resid  106 and name HN 
      ))
     (( resid  107 and name HN 
      ))
           3.8 0.96 0.96
! peak number n 941  F1=  5.314  F2=  7.930   null   null  d=  3.7
assi (( resid  106 and name HN 
      ))
     (( resid  92 and name HA 
      ))
           3.7 0.93 0.93
! peak number n 943  F1=  7.139  F2=  7.933   null   null  d=  3.7
assi (( resid  106 and name HN 
      ))
     (( resid  93 and name HD* 
      ))
           3.7 1.71 1.71
! peak number c 3317  F1=  4.615  F2=  2.227   null   null  d=  3.7
assi (( resid  107 and name HA 
      ))
     (( resid  107 and name HB1 
      ))
           3.7 1.67 1.67
! peak number c 3319  F1=  4.619  F2=  2.409   null   null  d=  3.7
assi (( resid  107 and name HA 
      ))
     (( resid  107 and name HB2 
      ))
           3.7 1.71 1.71
! peak number c 3334  F1=  4.593  F2=  2.560   null   null  d=  4.8
assi (( resid  107 and name HA 
      ))
     (( resid  107 and name HG1 
      ))
           4.8 2.94 2.94
! peak number c 3335  F1=  4.573  F2=  2.695   null   null  d=  4.3
assi (( resid  107 and name HA 
      ))
     (( resid  107 and name HG2 
      ))
           4.3 2.37 2.37
! peak number n 398  F1=  4.616  F2=  8.866   null   null  d=  3.2
assi (( resid  107 and name HA 
      ))
     (( resid  107 and name HN 
      ))
           3.2 0.80 0.80
! peak number c 3312  F1=  2.217  F2=  2.405   null   null  d=  2.7
assi (( resid  107 and name HB1 
      ))
     (( resid  107 and name HB2 
      ))
           2.7 0.91 0.91
! peak number c 3327  F1=  2.200  F2=  2.688   null   null  d=  3.3
assi (( resid  107 and name HB1 
      ))
     (( resid  107 and name HG2 
      ))
           3.3 1.36 1.36
! peak number c 3322  F1=  8.801  F2=  2.227   null   null  d=  3.6
assi (( resid  107 and name HB1 
      ))
     (( resid  107 and name HN 
      ))
           3.6 1.62 1.62
! peak number c 3316  F1=  2.967  F2=  2.234   null   null  d=  4.6
assi (( resid  107 and name HB1 
      ))
     (( resid  44 and name HB1 
      ))
           4.59 2.64 2.64
! peak number c 3314  F1=  2.646  F2=  2.233   null   null  d=  3.4
assi (( resid  107 and name HB1 
      ))
     (( resid  44 and name HB2 
      ))
           3.4 1.44 1.44
! peak number c 3313  F1=  2.662  F2=  2.408   null   null  d=  3.1
assi (( resid  107 and name HB2 
      ))
     (( resid  107 and name HG2 
      ))
           3.1 1.20 1.20
! peak number c 3321  F1=  8.842  F2=  2.404   null   null  d=  3.5
assi (( resid  107 and name HB2 
      ))
     (( resid  107 and name HN 
      ))
           3.5 1.49 1.49
! peak number c 2759  F1=  3.342  F2=  2.389   null   null  d=  3.8
assi (( resid  107 and name HB2 
      ))
     (( resid  42 and name HB1 
      ))
           3.8 1.80 1.80
! peak number c 3315  F1=  2.993  F2=  2.410   null   null  d=  4.2
assi (( resid  107 and name HB2 
      ))
     (( resid  43 and name HB1 
      ))
           4.2 2.21 2.21
! peak number c 3328  F1=  2.698  F2=  2.565   null   null  d=  2.5
assi (( resid  107 and name HG1 
      ))
     (( resid  107 and name HG2 
      ))
           2.5 0.78 0.78
! peak number c 3338  F1=  8.851  F2=  2.563   null   null  d=  3.5
assi (( resid  107 and name HG1 
      ))
     (( resid  107 and name HN 
      ))
           3.5 1.58 1.58
! peak number c 3337  F1=  8.150  F2=  2.566   null   null  d=  5.3
assi (( resid  107 and name HG1 
      ))
     (( resid  108 and name HN 
      ))
           5.3 3.51 3.51
! peak number c 3331  F1=  2.962  F2=  2.565   null   null  d=  4.4
assi (( resid  107 and name HG1 
      ))
     (( resid  44 and name HB1 
      ))
           4.4 2.42 2.42
! peak number c 3339  F1=  8.833  F2=  2.690   null   null  d=  3.4
assi (( resid  107 and name HG2 
      ))
     (( resid  107 and name HN 
      ))
           3.4 1.40 1.40
! peak number c 3336  F1=  8.149  F2=  2.697   null   null  d=  5.0
assi (( resid  107 and name HG2 
      ))
     (( resid  108 and name HN 
      ))
           5 3.12 3.12
! peak number n 1070  F1=  8.869  F2=  8.172   null   null  d=  3.3
assi (( resid  107 and name HN 
      ))
     (( resid  108 and name HN 
      ))
           3.3 0.82 0.82
! peak number c 3345  F1=  4.589  F2=  1.926   null   null  d=  2.8
assi (( resid  108 and name HA 
      ))
     (( resid  108 and name HB* 
      ))
           2.8 0.98 0.98
! peak number n 687  F1=  4.611  F2=  7.483   null   null  d=  2.9
assi (( resid  108 and name HA 
      ))
     (( resid  109 and name HN 
      ))
           2.9 0.72 0.72
! peak number c 434  F1=  1.457  F2=  4.591   null   null  d=  4.3
assi (( resid  108 and name HA 
      ))
     (( resid  70 and name HB1 
      ))
           4.3 2.31 2.31
! peak number c 435  F1=  1.579  F2=  4.590   null   null  d=  4.9
assi (( resid  108 and name HA 
      ))
     (( resid  70 and name HB2 
      ))
           4.9 3.00 3.00
! peak number c 432  F1=  0.525  F2=  4.592   null   null  d=  3.7
assi (( resid  108 and name HA 
      ))
     (( resid  70 and name HD1* 
      ))
           3.7 1.71 1.71
! peak number c 433  F1=  1.369  F2=  4.590   null   null  d=  5.0
assi (( resid  108 and name HA 
      ))
     (( resid  70 and name HG 
      ))
           5 3.12 3.12
! peak number c 3342  F1=  8.163  F2=  1.925   null   null  d=  2.7
assi (( resid  108 and name HB* 
      ))
     (( resid  108 and name HN 
      ))
           2.7 0.91 0.91
! peak number c 3352  F1=  0.682  F2=  1.929   null   null  d=  3.2
assi (( resid  108 and name HB* 
      ))
     (( resid  109 and name HG2* 
      ))
           3.2 1.28 1.28
! peak number c 3343  F1=  7.452  F2=  1.925   null   null  d=  3.7
assi (( resid  108 and name HB* 
      ))
     (( resid  109 and name HN 
      ))
           3.7 1.71 1.71
! peak number c 3347  F1=  4.974  F2=  1.923   null   null  d=  3.2
assi (( resid  108 and name HB* 
      ))
     (( resid  69 and name HA) or ( resid 104 and name HA 
      ))
           3.2 1.28 1.28
! peak number c 2909  F1=  1.911  F2=  1.454   null   null  d=  3.8
assi (( resid  108 and name HB* 
      ))
     (( resid  70 and name HB1 
      ))
           3.8 1.76 1.76
! peak number c 2908  F1=  1.929  F2=  1.570   null   null  d=  3.8
assi (( resid  108 and name HB* 
      ))
     (( resid  70 and name HB2 
      ))
           3.8 1.80 1.80
! peak number c 2925  F1=  1.926  F2=  0.529   null   null  d=  3.6
assi (( resid  108 and name HB* 
      ))
     (( resid  70 and name HD1* 
      ))
           3.6 1.62 1.62
! peak number c 3340  F1=  8.950  F2=  1.925   null   null  d=  3.6
assi (( resid  108 and name HB* 
      ))
     (( resid  70 and name HN 
      ))
           3.6 1.62 1.62
! peak number n 1063  F1=  0.720  F2=  8.165   null   null  d=  3.4
assi (( resid  108 and name HN 
      ))
     (( resid  109 and name HG2* 
      ))
           3.4 1.44 1.44
! peak number n 1068  F1=  7.478  F2=  8.169   null   null  d=  2.7
assi (( resid  108 and name HN 
      ))
     (( resid  109 and name HN 
      ))
           2.7 0.68 0.68
! peak number c 3380  F1=  4.389  F2=  1.964   null   null  d=  4.5
assi (( resid  109 and name HA 
      ))
     (( resid  109 and name HB 
      ))
           4.5 2.53 2.53
! peak number c 108  F1=  0.216  F2=  4.375   null   null  d=  3.8
assi (( resid  109 and name HA 
      ))
     (( resid  109 and name HG1* 
      ))
           3.8 1.76 1.76
! peak number c 110  F1=  0.685  F2=  4.378   null   null  d=  3.6
assi (( resid  109 and name HA 
      ))
     (( resid  109 and name HG2* 
      ))
           3.6 1.62 1.62
! peak number n 686  F1=  4.390  F2=  7.490   null   null  d=  3.3
assi (( resid  109 and name HA 
      ))
     (( resid  109 and name HN 
      ))
           3.3 0.82 0.82
! peak number n 199  F1=  4.392  F2=  9.001   null   null  d=  2.8
assi (( resid  109 and name HA 
      ))
     (( resid  110 and name HN 
      ))
           2.8 0.70 0.70
! peak number c 111  F1=  5.001  F2=  4.376   null   null  d=  3.8
assi (( resid  109 and name HA 
      ))
     (( resid  69 and name HA 
      ))
           3.8 0.94 0.94
! peak number c 2891  F1=  4.368  F2=  0.404   null   null  d=  4.3
assi (( resid  109 and name HA 
      ))
     (( resid  69 and name HB* 
      ))
           4.3 2.31 2.31
! peak number n 1279  F1=  4.390  F2=  8.975   null   null  d=  3.8
assi (( resid  109 and name HA 
      ))
     (( resid  70 and name HN 
      ))
           3.8 0.95 0.95
! peak number c 3200  F1=  4.380  F2=  0.401   null   null  d=  5.0
assi (( resid  109 and name HA 
      ))
     (( resid  95 and name HD1* 
      ))
           5 3.12 3.12
! peak number c 3354  F1=  0.221  F2=  1.956   null   null  d=  3.0
assi (( resid  109 and name HB 
      ))
     (( resid  109 and name HG1* 
      ))
           3 1.16 1.16
! peak number c 3355  F1=  0.700  F2=  1.957   null   null  d=  2.9
assi (( resid  109 and name HB 
      ))
     (( resid  109 and name HG2* 
      ))
           2.9 1.05 1.05
! peak number c 3359  F1=  7.477  F2=  1.956   null   null  d=  3.2
assi (( resid  109 and name HB 
      ))
     (( resid  109 and name HN 
      ))
           3.2 1.32 1.32
! peak number c 2893  F1=  1.969  F2=  0.399   null   null  d=  3.8
assi (( resid  109 and name HB 
      ))
     (( resid  69 and name HB* 
      ))
           3.8 1.80 1.80
! peak number c 1286  F1=  1.937  F2=  7.135   null   null  d=  4.2
assi (( resid  109 and name HB 
      ))
     (( resid  93 and name HD* 
      ))
           4.2 2.20 2.20
! peak number c 3182  F1=  1.977  F2=  0.384   null   null  d=  2.9
assi (( resid  109 and name HB 
      ))
     (( resid  95 and name HG2* 
      ))
           2.9 1.05 1.05
! peak number c 3363  F1=  0.719  F2=  0.211   null   null  d=  2.6
assi (( resid  109 and name HG1* 
      ))
     (( resid  109 and name HG2* 
      ))
           2.6 0.85 0.85
! peak number c 3367  F1=  7.467  F2=  0.213   null   null  d=  3.8
assi (( resid  109 and name HG1* 
      ))
     (( resid  109 and name HN 
      ))
           3.8 1.76 1.76
! peak number c 3370  F1=  8.973  F2=  0.211   null   null  d=  3.4
assi (( resid  109 and name HG1* 
      ))
     (( resid  110 and name HN 
      ))
           3.4 1.44 1.44
! peak number c 3818  F1=  0.193  F2=  1.437   null   null  d=  5.6 dist trop loin
! peak number c 3362  F1=  0.456  F2=  0.210   null   null  d=  2.6
assi (( resid  109 and name HG1* 
      ))
     (( resid  67 and name HG2* 
      ))
           2.6 0.85 0.85
! peak number c 3369  F1=  8.805  F2=  0.214   null   null  d=  4.1
assi (( resid  109 and name HG1* 
      ))
     (( resid  67 and name HN) or ( resid 107 and name HN 
      ))
           4.09 2.10 2.10
! peak number n 584  F1=  0.240  F2=  8.843   null   null  d=  3.9
assi (( resid  109 and name HG1* 
      ))
     (( resid  68 and name HN 
      ))
           3.9 1.90 1.90
! peak number c 283  F1=  0.244  F2=  5.011   null   null  d=  4.0
assi (( resid  109 and name HG1* 
      ))
     (( resid  69 and name HA 
      ))
           4 1.95 1.95
! peak number c 3368  F1=  7.122  F2=  0.215   null   null  d=  3.9
assi (( resid  109 and name HG1* 
      ))
     (( resid  93 and name HD* 
      ))
           3.9 1.90 1.90
! peak number c 299  F1=  0.252  F2=  4.675   null   null  d=  3.2
assi (( resid  109 and name HG1* 
      ))
     (( resid  95 and name HA 
      ))
           3.2 1.32 1.32
! peak number c 3690  F1=  1.021  F2=  0.213   null   null  d=  4.0
assi (( resid  109 and name HG1* 
      ))
     (( resid  95 and name HG11 
      ))
           4 2.00 2.00
! peak number c 3371  F1=  7.445  F2=  0.691   null   null  d=  3.0
assi (( resid  109 and name HG2* 
      ))
     (( resid  109 and name HN 
      ))
           3 1.16 1.16
! peak number c 286  F1=  0.692  F2=  5.004   null   null  d=  4.8
assi (( resid  109 and name HG2* 
      ))
     (( resid  69 and name HA 
      ))
           4.8 2.88 2.88
! peak number c 3374  F1=  5.252  F2=  0.681   null   null  d=  3.8
assi (( resid  109 and name HG2* 
      ))
     (( resid  93 and name HA 
      ))
           3.8 1.80 1.80
! peak number c 3376  F1=  2.855  F2=  0.698   null   null  d=  3.6
assi (( resid  109 and name HG2* 
      ))
     (( resid  93 and name HB1 
      ))
           3.6 1.62 1.62
! peak number c 3895  F1=  0.714  F2=  2.891   null   null  d=  4.4
assi (( resid  109 and name HG2* 
      ))
     (( resid  93 and name HB2 
      ))
           4.4 2.42 2.42
! peak number c 1288  F1=  0.703  F2=  7.139   null   null  d=  3.1
assi (( resid  109 and name HG2* 
      ))
     (( resid  93 and name HD* 
      ))
           3.1 1.24 1.24
! peak number n 644  F1=  0.739  F2=  9.899   null   null  d=  3.9
assi (( resid  109 and name HG2* 
      ))
     (( resid  93 and name HN 
      ))
           3.9 1.90 1.90
! peak number c 2103  F1=  0.414  F2=  0.685   null   null  d=  2.3
assi (( resid  109 and name HG2* 
      ))
     (( resid  95 and name HD1* 
      ))
           2.29 0.66 0.66
! peak number c 3372  F1=  8.980  F2=  0.697   null   null  d=  3.6
assi (( resid  109 and name HG2* 
      ))
     (( resid  95 and name HN) or ( resid 70 and name HN) or ( resid 110 and name HN 
      ))
           3.6 1.62 1.62
! peak number n 1224  F1=  0.530  F2=  7.484   null   null  d=  4.1
assi (( resid  109 and name HN 
      ))
     (( resid  70 and name HD1* 
      ))
           4.09 2.10 2.10
! peak number n 691  F1=  8.984  F2=  7.481   null   null  d=  4.1
assi (( resid  109 and name HN 
      ))
     (( resid  70 and name HN) or ( resid 110 and name HN 
      ))
           4.09 2.10 2.10
! peak number c 2037  F1=  3.261  F2=  1.956   null   null  d=  3.6
assi (( resid  10 and name HA 
      ))
     (( resid  10 and name HB 
      ))
           3.6 1.62 1.62
! peak number c 31  F1=  0.868  F2=  3.255   null   null  d=  3.4
assi (( resid  10 and name HA 
      ))
     (( resid  10 and name HG1* 
      ))
           3.4 1.44 1.44
! peak number c 32  F1=  0.994  F2=  3.256   null   null  d=  3.0
assi (( resid  10 and name HA 
      ))
     (( resid  10 and name HG2* 
      ))
           3 1.12 1.12
! peak number c 2033  F1=  7.603  F2=  3.243   null   null  d=  3.4
assi (( resid  10 and name HA 
      ))
     (( resid  10 and name HN 
      ))
           3.4 0.84 0.84
! peak number c 33  F1=  4.378  F2=  3.265   null   null  d=  4.8
assi (( resid  10 and name HA 
      ))
     (( resid  11 and name HA2 
      ))
           4.8 1.20 1.20
! peak number c 2034  F1=  8.926  F2=  3.239   null   null  d=  3.2
assi (( resid  10 and name HA 
      ))
     (( resid  11 and name HN 
      ))
           3.2 0.81 0.81
! peak number n 853  F1=  3.269  F2=  7.595   null   null  d=  3.3
assi (( resid  10 and name HA 
      ))
     (( resid  12 and name HN 
      ))
           3.3 0.82 0.82
! peak number c 34  F1=  4.641  F2=  3.258   null   null  d=  5.5 dist trop loin
! peak number c 2035  F1=  0.864  F2=  1.958   null   null  d=  2.7
assi (( resid  10 and name HB 
      ))
     (( resid  10 and name HG1* 
      ))
           2.7 0.91 0.91
! peak number c 2036  F1=  1.019  F2=  1.958   null   null  d=  2.7
assi (( resid  10 and name HB 
      ))
     (( resid  10 and name HG2* 
      ))
           2.7 0.91 0.91
! peak number c 2039  F1=  7.635  F2=  1.960   null   null  d=  2.7
assi (( resid  10 and name HB 
      ))
     (( resid  10 and name HN 
      ))
           2.7 0.91 0.91
! peak number c 2038  F1=  4.409  F2=  1.959   null   null  d=  3.7
assi (( resid  10 and name HB 
      ))
     (( resid  31 and name HA 
      ))
           3.7 1.71 1.71
! peak number n 624  F1=  0.894  F2=  7.669   null   null  d=  2.7
assi (( resid  10 and name HG1* 
      ))
     (( resid  10 and name HN 
      ))
           2.7 0.91 0.91
! peak number n 504  F1=  0.889  F2=  8.926   null   null  d=  2.8
assi (( resid  10 and name HG1* 
      ))
     (( resid  11 and name HN 
      ))
           2.8 0.98 0.98
! peak number c 119  F1=  0.842  F2=  4.421   null   null  d=  3.7
assi (( resid  10 and name HG1* 
      ))
     (( resid  31 and name HA 
      ))
           3.7 1.71 1.71
! peak number c 2267  F1=  0.861  F2=  1.834   null   null  d=  4.3
assi (( resid  10 and name HG1* 
      ))
     (( resid  31 and name HB2 
      ))
           4.3 2.31 2.31
! peak number c 11  F1=  0.868  F2=  4.658   null   null  d=  4.2
assi (( resid  10 and name HG1* 
      ))
     (( resid  7 and name HA 
      ))
           4.2 2.21 2.21
! peak number c 21  F1=  0.873  F2=  4.387   null   null  d=  5.0
assi (( resid  10 and name HG1* 
      ))
     (( resid  8 and name HA 
      ))
           5 3.12 3.12
! peak number n 625  F1=  1.033  F2=  7.667   null   null  d=  2.4
assi (( resid  10 and name HG2* 
      ))
     (( resid  10 and name HN 
      ))
           2.4 0.72 0.72
! peak number n 505  F1=  1.019  F2=  8.923   null   null  d=  2.9
assi (( resid  10 and name HG2* 
      ))
     (( resid  11 and name HN 
      ))
           2.9 1.05 1.05
! peak number c 120  F1=  1.003  F2=  4.422   null   null  d=  3.2
assi (( resid  10 and name HG2* 
      ))
     (( resid  31 and name HA 
      ))
           3.2 1.28 1.28
! peak number c 2269  F1=  1.027  F2=  1.839   null   null  d=  4.3
assi (( resid  10 and name HG2* 
      ))
     (( resid  31 and name HB2 
      ))
           4.3 2.31 2.31
! peak number n 102  F1=  1.040  F2=  9.036   null   null  d=  2.9
assi (( resid  10 and name HG2* 
      ))
     (( resid  32 and name HN 
      ))
           2.9 1.05 1.05
! peak number c 12  F1=  0.998  F2=  4.657   null   null  d=  3.7
assi (( resid  10 and name HG2* 
      ))
     (( resid  7 and name HA 
      ))
           3.7 1.71 1.71
! peak number c 27  F1=  1.008  F2=  4.639   null   null  d=  3.4
assi (( resid  10 and name HG2* 
      ))
     (( resid  9 and name HA 
      ))
           3.4 1.44 1.44
! peak number n 1032  F1=  1.036  F2=  8.756   null   null  d=  3.2
assi (( resid  10 and name HG2* 
      ))
     (( resid  9 and name HN 
      ))
           3.2 1.28 1.28
! peak number n 508  F1=  7.667  F2=  8.934   null   null  d=  3.8
assi (( resid  10 and name HN 
      ))
     (( resid  11 and name HN 
      ))
           3.8 0.94 0.94
! peak number n 629  F1=  4.415  F2=  7.670   null   null  d=  3.7
assi (( resid  10 and name HN 
      ))
     (( resid  8 and name HA 
      ))
           3.7 0.93 0.93
! peak number n 630  F1=  4.657  F2=  7.669   null   null  d=  3.5
assi (( resid  10 and name HN 
      ))
     (( resid  9 and name HA 
      ))
           3.5 0.88 0.88
! peak number n 628  F1=  2.705  F2=  7.668   null   null  d=  3.7
assi (( resid  10 and name HN 
      ))
     (( resid  9 and name HB1 
      ))
           3.7 1.71 1.71
! peak number c 2019  F1=  7.632  F2=  3.200   null   null  d=  4.4
assi (( resid  10 and name HN 
      ))
     (( resid  9 and name HB2 
      ))
           4.4 2.42 2.42
! peak number n 1034  F1=  7.663  F2=  8.755   null   null  d=  3.1
assi (( resid  10 and name HN 
      ))
     (( resid  9 and name HN 
      ))
           3.1 0.78 0.78
! peak number c 3383  F1=  4.842  F2=  1.699   null   null  d=  4.2
assi (( resid  110 and name HA 
      ))
     (( resid  110 and name HB 
      ))
           4.2 2.15 2.15
! peak number c 3396  F1=  4.817  F2=  0.003   null   null  d=  4.6
assi (( resid  110 and name HA 
      ))
     (( resid  110 and name HD1* 
      ))
           4.59 2.64 2.64
! peak number c 2750  F1=  4.828  F2=  0.631   null   null  d=  3.0
assi (( resid  110 and name HA 
      ))
     (( resid  110 and name HG2* 
      ))
           3 1.16 1.16
! peak number n 201  F1=  4.874  F2=  9.000   null   null  d=  3.4
assi (( resid  110 and name HA 
      ))
     (( resid  110 and name HN 
      ))
           3.4 0.85 0.85
! peak number c 439  F1=  0.496  F2=  4.852   null   null  d=  4.8
assi (( resid  110 and name HA 
      ))
     (( resid  111 and name HD1* 
      ))
           4.8 2.88 2.88
! peak number n 496  F1=  4.874  F2=  8.239   null   null  d=  2.9
assi (( resid  110 and name HA 
      ))
     (( resid  111 and name HN 
      ))
           2.9 0.72 0.72
! peak number c 443  F1=  5.071  F2=  4.851   null   null  d=  5.0
assi (( resid  110 and name HA 
      ))
     (( resid  25 and name HA 
      ))
           5 1.25 1.25
! peak number c 3385  F1=  0.001  F2=  1.693   null   null  d=  3.5
assi (( resid  110 and name HB 
      ))
     (( resid  110 and name HD1* 
      ))
           3.5 1.53 1.53
! peak number c 2751  F1=  1.706  F2=  0.628   null   null  d=  3.1
assi (( resid  110 and name HB 
      ))
     (( resid  110 and name HG2* 
      ))
           3.1 1.20 1.20
! peak number n 205  F1=  1.732  F2=  9.003   null   null  d=  4.3
assi (( resid  110 and name HB 
      ))
     (( resid  110 and name HN 
      ))
           4.3 2.31 2.31
! peak number c 3430  F1=  1.713  F2=  0.462   null   null  d=  3.2
assi (( resid  110 and name HB 
      ))
     (( resid  111 and name HD1* 
      ))
           3.2 1.28 1.28
! peak number c 3886  F1=  8.251  F2=  1.715   null   null  d=  3.2
assi (( resid  110 and name HB 
      ))
     (( resid  111 and name HN 
      ))
           3.2 1.32 1.32
! peak number c 3586  F1=  0.303  F2=  1.727   null   null  d=  3.5
assi (( resid  110 and name HB 
      ))
     (( resid  67 and name HG1* 
      ))
           3.5 1.53 1.53
! peak number c 3766  F1=  1.698  F2=  0.936   null   null  d=  3.6
assi (( resid  110 and name HB 
      ))
     (( resid  68 and name HG2* 
      ))
           3.6 1.62 1.62
! peak number c 3389  F1=  0.796  F2=  0.002   null   null  d=  3.3
assi (( resid  110 and name HD1* 
      ))
     (( resid  110 and name HG11 
      ))
           3.3 1.36 1.36
! peak number c 3401  F1=  0.614  F2=  0.003   null   null  d=  2.5
assi (( resid  110 and name HD1* 
      ))
     (( resid  110 and name HG12 
      ))
           2.5 0.78 0.78
! peak number c 2752  F1=  0.009  F2=  0.625   null   null  d=  2.8
assi (( resid  110 and name HD1* 
      ))
     (( resid  110 and name HG2* 
      ))
           2.8 0.98 0.98
! peak number c 3400  F1=  8.969  F2=  0.002   null   null  d=  3.8
assi (( resid  110 and name HD1* 
      ))
     (( resid  110 and name HN 
      ))
           3.8 1.80 1.80
! peak number c 2197  F1=  0.021  F2=  2.242   null   null  d=  4.9
assi (( resid  110 and name HD1* 
      ))
     (( resid  23 and name HB1 
      ))
           4.9 3.00 3.00
! peak number c 3393  F1=  2.501  F2=  0.002   null   null  d=  4.4
assi (( resid  110 and name HD1* 
      ))
     (( resid  23 and name HB2 
      ))
           4.4 2.42 2.42
! peak number c 1176  F1=  0.008  F2=  6.807   null   null  d=  4.7
assi (( resid  110 and name HD1* 
      ))
     (( resid  23 and name HD* 
      ))
           4.7 2.70 2.70
! peak number c 1180  F1=  0.007  F2=  6.533   null   null  d=  4.2
assi (( resid  110 and name HD1* 
      ))
     (( resid  23 and name HE* 
      ))
           4.2 2.15 2.15
! peak number c 1196  F1=  0.009  F2=  7.168   null   null  d=  6.3 dist trop loin
! peak number c 1198  F1=  0.010  F2=  6.575   null   null  d=  4.3
assi (( resid  110 and name HD1* 
      ))
     (( resid  25 and name HE* 
      ))
           4.3 2.31 2.31
! peak number c 3394  F1=  3.830  F2=  0.002   null   null  d=  3.9
assi (( resid  110 and name HD1* 
      ))
     (( resid  68 and name HB 
      ))
           3.9 1.90 1.90
! peak number c 2875  F1=  0.006  F2=  0.934   null   null  d=  3.0
assi (( resid  110 and name HD1* 
      ))
     (( resid  68 and name HG2* 
      ))
           3 1.16 1.16
! peak number c 2929  F1=  0.012  F2=  0.521   null   null  d=  3.0
assi (( resid  110 and name HD1* 
      ))
     (( resid  70 and name HD1* 
      ))
           3 1.12 1.12
! peak number c 2930  F1=  0.010  F2=  0.564   null   null  d=  2.9
assi (( resid  110 and name HD1* 
      ))
     (( resid  70 and name HD2* 
      ))
           2.9 1.05 1.05
! peak number c 1229  F1=  0.009  F2=  6.961   null   null  d=  5.0
assi (( resid  110 and name HD1* 
      ))
     (( resid  76 and name HD* 
      ))
           5 3.12 3.12
! peak number c 1224  F1=  0.006  F2=  7.079   null   null  d=  4.3
assi (( resid  110 and name HD1* 
      ))
     (( resid  76 and name HE* 
      ))
           4.3 2.31 2.31
! peak number c 3395  F1=  4.670  F2=  0.003   null   null  d=  3.8
assi (( resid  110 and name HD1* 
      ))
     (( resid  77 and name HA) or ( resid 67 and name HA 
      ))
           3.8 1.80 1.80
! peak number n 198  F1=  0.751  F2=  8.999   null   null  d=  3.3
assi (( resid  110 and name HG11 
      ))
     (( resid  110 and name HN 
      ))
           3.3 1.36 1.36
! peak number n 197  F1=  0.653  F2=  8.998   null   null  d=  2.9
assi (( resid  110 and name HG12 
      ))
     (( resid  110 and name HN 
      ))
           2.9 1.05 1.05
! peak number c 3386  F1=  8.242  F2=  0.646   null   null  d=  4.3
assi (( resid  110 and name HG12 
      ))
     (( resid  111 and name HN 
      ))
           4.3 2.31 2.31
! peak number c 2876  F1=  0.618  F2=  0.926   null   null  d=  3.0
assi (( resid  110 and name HG12 
      ))
     (( resid  68 and name HG2* 
      ))
           3 1.12 1.12
! peak number c 2746  F1=  8.231  F2=  0.629   null   null  d=  3.5
assi (( resid  110 and name HG2* 
      ))
     (( resid  111 and name HN 
      ))
           3.5 1.53 1.53
! peak number c 2749  F1=  5.101  F2=  0.629   null   null  d=  3.6
assi (( resid  110 and name HG2* 
      ))
     (( resid  25 and name HA 
      ))
           3.6 1.62 1.62
! peak number c 1190  F1=  0.621  F2=  7.165   null   null  d=  3.2
assi (( resid  110 and name HG2* 
      ))
     (( resid  25 and name HD* 
      ))
           3.2 1.32 1.32
! peak number c 2748  F1=  6.558  F2=  0.618   null   null  d=  3.9
assi (( resid  110 and name HG2* 
      ))
     (( resid  25 and name HE* 
      ))
           3.9 1.90 1.90
! peak number c 3716  F1=  9.585  F2=  0.625   null   null  d=  4.2
assi (( resid  110 and name HG2* 
      ))
     (( resid  26 and name HN 
      ))
           4.2 2.15 2.15
! peak number c 2198  F1=  0.622  F2=  2.251   null   null  d=  4.2
assi (( resid  110 and name HG2*) or ( resid 110 and name HG12 
      ))
     (( resid  23 and name HB1 
      ))
           4.2 2.21 2.21
! peak number c 2199  F1=  0.615  F2=  2.498   null   null  d=  4.5
assi (( resid  110 and name HG2*) or ( resid 110 and name HG12 
      ))
     (( resid  23 and name HB2 
      ))
           4.5 2.53 2.53
! peak number c 3763  F1=  8.972  F2=  0.932   null   null  d=  3.6
assi (( resid  110 and name HN 
      ))
     (( resid  68 and name HG2* 
      ))
           3.6 1.62 1.62
! peak number n 204  F1=  5.013  F2=  9.008   null   null  d=  3.9
assi (( resid  110 and name HN 
      ))
     (( resid  69 and name HA 
      ))
           3.9 0.97 0.97
! peak number n 200  F1=  4.609  F2=  8.989   null   null  d=  3.8
assi (( resid  110 and name HN 
      ))
     (( resid  70 and name HA) or ( resid 108 and name HA 
      ))
           3.8 1.80 1.80
! peak number n 196  F1=  0.445  F2=  8.997   null   null  d=  4.1
assi (( resid  110 and name HN 
      ))
     (( resid  95 and name HG2*) or ( resid 95 and name HD1*) or ( resid 69 and name HB* 
      ))
           4.09 2.10 2.10
! peak number c 3140  F1=  5.348  F2=  1.452   null   null  d=  4.4
assi (( resid  111 and name HA 
      ))
     (( resid  111 and name HB1 
      ))
           4.4 2.42 2.42
! peak number c 3139  F1=  5.342  F2=  1.550   null   null  d=  5.2
assi (( resid  111 and name HA 
      ))
     (( resid  111 and name HB2 
      ))
           5.2 3.32 3.32
! peak number c 3422  F1=  5.363  F2=  0.465   null   null  d=  3.7
assi (( resid  111 and name HA 
      ))
     (( resid  111 and name HD1* 
      ))
           3.7 1.71 1.71
! peak number c 3439  F1=  5.367  F2=  0.673   null   null  d=  3.7
assi (( resid  111 and name HA 
      ))
     (( resid  111 and name HD2* 
      ))
           3.7 1.67 1.67
! peak number c 3404  F1=  5.361  F2=  1.435   null   null  d=  4.8
assi (( resid  111 and name HA 
      ))
     (( resid  111 and name HG 
      ))
           4.8 2.88 2.88
! peak number n 712  F1=  5.384  F2=  9.023   null   null  d=  3.1
assi (( resid  111 and name HA 
      ))
     (( resid  112 and name HN 
      ))
           3.1 0.78 0.78
! peak number c 445  F1=  2.259  F2=  5.367   null   null  d=  4.9
assi (( resid  111 and name HA 
      ))
     (( resid  23 and name HB1) or ( resid 115 and name HB2 
      ))
           4.9 3.00 3.00
! peak number c 448  F1=  0.469  F2=  5.365   null   null  d=  4.0
assi (( resid  111 and name HA 
      ))
     (( resid  61 and name HG1*) or ( resid 111 and name HD1* 
      ))
           4 2.00 2.00
! peak number c 277  F1=  5.366  F2=  4.666   null   null  d=  5.1
assi (( resid  111 and name HA 
      ))
     (( resid  67 and name HA 
      ))
           5.09 1.26 1.26
! peak number n 579  F1=  5.387  F2=  8.850   null   null  d=  4.0
assi (( resid  111 and name HA 
      ))
     (( resid  68 and name HN 
      ))
           4 1.00 1.00
! peak number c 3416  F1=  1.480  F2=  0.467   null   null  d=  2.5
assi (( resid  111 and name HB1 
      ))
     (( resid  111 and name HD1* 
      ))
           2.5 0.78 0.78
! peak number c 3433  F1=  1.477  F2=  0.675   null   null  d=  3.2
assi (( resid  111 and name HB1 
      ))
     (( resid  111 and name HD2* 
      ))
           3.2 1.28 1.28
! peak number n 494  F1=  1.482  F2=  8.232   null   null  d=  3.6
assi (( resid  111 and name HB1 
      ))
     (( resid  111 and name HN 
      ))
           3.6 1.62 1.62
! peak number n 717  F1=  1.471  F2=  9.015   null   null  d=  3.5
assi (( resid  111 and name HB1 
      ))
     (( resid  112 and name HN 
      ))
           3.5 1.53 1.53
! peak number c 2870  F1=  1.498  F2=  0.470   null   null  d=  3.6
assi (( resid  111 and name HB1 
      ))
     (( resid  67 and name HG2* 
      ))
           3.6 1.62 1.62
! peak number n 719  F1=  1.551  F2=  9.010   null   null  d=  3.9
assi (( resid  111 and name HB2 
      ))
     (( resid  112 and name HN 
      ))
           3.9 1.90 1.90
! peak number c 3414  F1=  0.674  F2=  0.472   null   null  d=  2.4
assi (( resid  111 and name HD1* 
      ))
     (( resid  111 and name HD2* 
      ))
           2.4 0.72 0.72
! peak number c 3406  F1=  0.462  F2=  1.439   null   null  d=  2.6
assi (( resid  111 and name HD1* 
      ))
     (( resid  111 and name HG 
      ))
           2.6 0.85 0.85
! peak number c 3425  F1=  8.222  F2=  0.463   null   null  d=  3.8
assi (( resid  111 and name HD1* 
      ))
     (( resid  111 and name HN 
      ))
           3.8 1.80 1.80
! peak number c 3427  F1=  2.866  F2=  0.463   null   null  d=  3.3
assi (( resid  111 and name HD1* 
      ))
     (( resid  116 and name HA1 
      ))
           3.3 1.36 1.36
! peak number c 3419  F1=  3.251  F2=  0.468   null   null  d=  3.3
assi (( resid  111 and name HD1* 
      ))
     (( resid  116 and name HA2 
      ))
           3.3 1.36 1.36
! peak number c 3426  F1=  9.162  F2=  0.469   null   null  d=  3.6
assi (( resid  111 and name HD1* 
      ))
     (( resid  116 and name HN 
      ))
           3.6 1.62 1.62
! peak number c 2115  F1=  0.442  F2=  1.869   null   null  d=  3.9
assi (( resid  111 and name HD1* 
      ))
     (( resid  15 and name HB 
      ))
           3.9 1.90 1.90
! peak number c 2127  F1=  0.470  F2=  0.806   null   null  d=  2.5
assi (( resid  111 and name HD1* 
      ))
     (( resid  15 and name HG2*) or ( resid 15 and name HG1* 
      ))
           2.5 0.81 0.81
! peak number c 3415  F1=  1.136  F2=  0.485   null   null  d=  2.8
assi (( resid  111 and name HD1* 
      ))
     (( resid  17 and name HG1 
      ))
           2.8 0.98 0.98
! peak number c 3420  F1=  4.626  F2=  0.476   null   null  d=  4.5
assi (( resid  111 and name HD1* 
      ))
     (( resid  23 and name HA 
      ))
           4.5 2.53 2.53
! peak number c 3428  F1=  2.543  F2=  0.471   null   null  d=  4.2
assi (( resid  111 and name HD1* 
      ))
     (( resid  24 and name HB1 
      ))
           4.2 2.21 2.21
! peak number c 3418  F1=  3.000  F2=  0.469   null   null  d=  3.4
assi (( resid  111 and name HD1* 
      ))
     (( resid  24 and name HB2 
      ))
           3.4 1.44 1.44
! peak number c 3424  F1=  7.099  F2=  0.477   null   null  d=  3.2
assi (( resid  111 and name HD1* 
      ))
     (( resid  24 and name HD* 
      ))
           3.2 1.28 1.28
! peak number c 3423  F1=  7.278  F2=  0.463   null   null  d=  3.6
assi (( resid  111 and name HD1* 
      ))
     (( resid  24 and name HE* 
      ))
           3.6 1.62 1.62
! peak number c 2711  F1=  0.488  F2=  1.798   null   null  d=  3.3
assi (( resid  111 and name HD1* 
      ))
     (( resid  60 and name HB1 
      ))
           3.3 1.36 1.36
! peak number c 2710  F1=  0.484  F2=  1.959   null   null  d=  3.3
assi (( resid  111 and name HD1* 
      ))
     (( resid  60 and name HB2 
      ))
           3.3 1.36 1.36
! peak number c 2722  F1=  0.458  F2=  1.087   null   null  d=  4.3
assi (( resid  111 and name HD1* 
      ))
     (( resid  60 and name HG* 
      ))
           4.3 2.31 2.31
! peak number n 493  F1=  0.662  F2=  8.237   null   null  d=  3.0
assi (( resid  111 and name HD2* 
      ))
     (( resid  111 and name HN 
      ))
           3 1.12 1.12
! peak number c 3435  F1=  2.285  F2=  0.674   null   null  d=  3.2
assi (( resid  111 and name HD2* 
      ))
     (( resid  115 and name HB2 
      ))
           3.2 1.28 1.28
! peak number c 3723  F1=  2.840  F2=  0.679   null   null  d=  5.1
assi (( resid  111 and name HD2* 
      ))
     (( resid  116 and name HA1 
      ))
           5.09 3.25 3.25
! peak number c 3724  F1=  3.233  F2=  0.665   null   null  d=  4.6
assi (( resid  111 and name HD2* 
      ))
     (( resid  116 and name HA2 
      ))
           4.59 2.64 2.64
! peak number c 3442  F1=  9.164  F2=  0.675   null   null  d=  3.8
assi (( resid  111 and name HD2* 
      ))
     (( resid  116 and name HN 
      ))
           3.8 1.80 1.80
! peak number c 3588  F1=  0.666  F2=  1.353   null   null  d=  3.5
assi (( resid  111 and name HD2* 
      ))
     (( resid  125 and name HB2 
      ))
           3.5 1.53 1.53
! peak number c 3431  F1=  0.248  F2=  0.671   null   null  d=  3.1
assi (( resid  111 and name HD2* 
      ))
     (( resid  125 and name HD2* 
      ))
           3.1 1.20 1.20
! peak number c 3789  F1=  0.670  F2=  1.246   null   null  d=  3.6
assi (( resid  111 and name HD2* 
      ))
     (( resid  125 and name HG 
      ))
           3.6 1.62 1.62
! peak number c 3436  F1=  1.864  F2=  0.676   null   null  d=  3.3
assi (( resid  111 and name HD2* 
      ))
     (( resid  15 and name HB 
      ))
           3.3 1.36 1.36
! peak number c 2171  F1=  0.696  F2=  2.727   null   null  d=  3.5
assi (( resid  111 and name HD2* 
      ))
     (( resid  17 and name HE1 
      ))
           3.5 1.53 1.53
! peak number c 1134  F1=  0.688  F2=  7.145   null   null  d=  4.2
assi (( resid  111 and name HD2* 
      ))
     (( resid  24 and name HD* 
      ))
           4.2 2.21 2.21
! peak number c 3438  F1=  4.661  F2=  0.680   null   null  d=  3.1
assi (( resid  111 and name HD2* 
      ))
     (( resid  60 and name HA 
      ))
           3.1 1.20 1.20
! peak number c 2712  F1=  0.667  F2=  1.797   null   null  d=  4.1
assi (( resid  111 and name HD2* 
      ))
     (( resid  60 and name HB1 
      ))
           4.09 2.10 2.10
! peak number c 2709  F1=  0.687  F2=  1.972   null   null  d=  4.3
assi (( resid  111 and name HD2* 
      ))
     (( resid  60 and name HB2 
      ))
           4.3 2.31 2.31
! peak number c 3434  F1=  1.080  F2=  0.671   null   null  d=  3.1
assi (( resid  111 and name HD2* 
      ))
     (( resid  60 and name HG* 
      ))
           3.1 1.20 1.20
! peak number c 3437  F1=  3.886  F2=  0.668   null   null  d=  4.1
assi (( resid  111 and name HD2* 
      ))
     (( resid  61 and name HA 
      ))
           4.09 2.10 2.10
! peak number c 3432  F1=  0.475  F2=  0.674   null   null  d=  2.4
assi (( resid  111 and name HD2* 
      ))
     (( resid  61 and name HG1*) or ( resid 111 and name HD1* 
      ))
           2.4 0.72 0.72
! peak number c 3441  F1=  8.998  F2=  0.684   null   null  d=  3.7
assi (( resid  111 and name HD2* 
      ))
     (( resid  61 and name HN) or ( resid 112 and name HN 
      ))
           3.7 1.71 1.71
! peak number c 275  F1=  0.686  F2=  4.681   null   null  d=  3.9
assi (( resid  111 and name HD2* 
      ))
     (( resid  67 and name HA 
      ))
           3.9 1.90 1.90
! peak number c 3440  F1=  8.835  F2=  0.676   null   null  d=  3.8
assi (( resid  111 and name HD2* 
      ))
     (( resid  68 and name HN 
      ))
           3.8 1.80 1.80
! peak number n 582  F1=  0.710  F2=  8.850   null   null  d=  4.0
assi (( resid  111 and name HD2*) or ( resid 109 and name HG2* 
      ))
     (( resid  68 and name HN 
      ))
           4 2.00 2.00
! peak number c 3410  F1=  8.241  F2=  1.448   null   null  d=  4.8
assi (( resid  111 and name HG 
      ))
     (( resid  111 and name HN 
      ))
           4.8 2.88 2.88
! peak number c 2126  F1=  1.467  F2=  0.813   null   null  d=  2.8
assi (( resid  111 and name HG 
      ))
     (( resid  15 and name HG2*) or ( resid 15 and name HG1* 
      ))
           2.8 0.98 0.98
! peak number c 3405  F1=  2.549  F2=  1.425   null   null  d=  4.3
assi (( resid  111 and name HG 
      ))
     (( resid  24 and name HB1 
      ))
           4.3 2.31 2.31
! peak number n 498  F1=  7.108  F2=  8.245   null   null  d=  3.7
assi (( resid  111 and name HN 
      ))
     (( resid  24 and name HD* 
      ))
           3.7 1.71 1.71
! peak number n 500  F1=  9.644  F2=  8.235   null   null  d=  3.8
assi (( resid  111 and name HN 
      ))
     (( resid  24 and name HN 
      ))
           3.8 0.95 0.95
! peak number c 450  F1=  4.046  F2=  3.830   null   null  d=  3.6
assi (( resid  112 and name HA 
      ))
     (( resid  112 and name HB* 
      ))
           3.6 1.62 1.62
! peak number n 714  F1=  3.860  F2=  9.024   null   null  d=  3.5
assi (( resid  112 and name HA 
      ))
     (( resid  112 and name HN 
      ))
           3.5 0.88 0.88
! peak number c 3445  F1=  3.847  F2=  1.607   null   null  d=  3.8
assi (( resid  112 and name HA 
      ))
     (( resid  113 and name HB* 
      ))
           3.8 1.80 1.80
! peak number n 1046  F1=  3.868  F2=  8.210   null   null  d=  3.2
assi (( resid  112 and name HA 
      ))
     (( resid  113 and name HN 
      ))
           3.2 0.80 0.80
! peak number n 1047  F1=  4.094  F2=  8.218   null   null  d=  3.2
assi (( resid  112 and name HB* 
      ))
     (( resid  113 and name HN 
      ))
           3.2 1.28 1.28
! peak number c 1186  F1=  4.065  F2=  6.536   null   null  d=  5.1
assi (( resid  112 and name HB* 
      ))
     (( resid  23 and name HE* 
      ))
           5.09 3.25 3.25
! peak number c 2880  F1=  4.035  F2=  0.931   null   null  d=  2.9
assi (( resid  112 and name HB* 
      ))
     (( resid  68 and name HG2* 
      ))
           2.9 1.05 1.05
! peak number n 715  F1=  2.286  F2=  9.025   null   null  d=  3.2
assi (( resid  112 and name HN 
      ))
     (( resid  115 and name HB2 
      ))
           3.2 1.28 1.28
! peak number n 710  F1=  9.174  F2=  9.017   null   null  d=  4.1
assi (( resid  112 and name HN 
      ))
     (( resid  116 and name HN 
      ))
           4.09 1.02 1.02
! peak number n 718  F1=  0.718  F2=  9.018   null   null  d=  4.0
assi (( resid  112 and name HN 
      ))
     (( resid  61 and name HD1* 
      ))
           4 2.00 2.00
! peak number n 586  F1=  9.026  F2=  8.845   null   null  d=  4.2
assi (( resid  112 and name HN) or ( resid 110 and name HN 
      ))
     (( resid  68 and name HN 
      ))
           4.2 2.21 2.21
! peak number c 3446  F1=  4.177  F2=  1.605   null   null  d=  3.1
assi (( resid  113 and name HA 
      ))
     (( resid  113 and name HB* 
      ))
           3.1 1.24 1.24
! peak number c 3460  F1=  4.191  F2=  0.958   null   null  d=  3.1
assi (( resid  113 and name HA 
      ))
     (( resid  113 and name HD1* 
      ))
           3.1 1.20 1.20
! peak number c 3471  F1=  4.205  F2=  0.867   null   null  d=  3.8
assi (( resid  113 and name HA 
      ))
     (( resid  113 and name HD2* 
      ))
           3.8 1.76 1.76
! peak number n 1048  F1=  4.207  F2=  8.214   null   null  d=  3.0
assi (( resid  113 and name HA 
      ))
     (( resid  113 and name HN 
      ))
           3 0.75 0.75
! peak number n 515  F1=  4.216  F2=  8.409   null   null  d=  4.1
assi (( resid  113 and name HA 
      ))
     (( resid  114 and name HN 
      ))
           4.09 1.02 1.02
! peak number n 510  F1=  1.629  F2=  8.413   null   null  d=  2.6
assi (( resid  113 and name HB1 
      ))
     (( resid  114 and name HN 
      ))
           2.6 0.85 0.85
! peak number c 3462  F1=  1.610  F2=  0.960   null   null  d=  2.4
assi (( resid  113 and name HB* 
      ))
     (( resid  113 and name HD1* 
      ))
           2.4 0.72 0.72
! peak number c 3443  F1=  0.877  F2=  1.602   null   null  d=  2.5
assi (( resid  113 and name HB* 
      ))
     (( resid  113 and name HD2* 
      ))
           2.5 0.81 0.81
! peak number c 3448  F1=  8.178  F2=  1.608   null   null  d=  3.2
assi (( resid  113 and name HB* 
      ))
     (( resid  113 and name HN 
      ))
           3.2 1.28 1.28
! peak number c 3449  F1=  8.385  F2=  1.595   null   null  d=  3.3
assi (( resid  113 and name HB* 
      ))
     (( resid  114 and name HN 
      ))
           3.3 1.36 1.36
! peak number c 3447  F1=  3.001  F2=  1.611   null   null  d=  4.3
assi (( resid  113 and name HB* 
      ))
     (( resid  117 and name HB2 
      ))
           4.3 2.31 2.31
! peak number c 3837  F1=  1.915  F2=  1.622   null   null  d=  3.8
assi (( resid  113 and name HB* 
      ))
     (( resid  120 and name HB2 
      ))
           3.8 1.80 1.80
! peak number c 3836  F1=  7.236  F2=  1.610   null   null  d=  4.3
assi (( resid  113 and name HB* 
      ))
     (( resid  24 and name HZ 
      ))
           4.3 2.31 2.31
! peak number n 1054  F1=  1.630  F2=  8.209   null   null  d=  2.6
assi (( resid  113 and name HB2) or ( resid 113 and name HB1 
      ))
     (( resid  113 and name HN 
      ))
           2.6 0.85 0.85
! peak number c 3457  F1=  8.177  F2=  0.958   null   null  d=  3.8
assi (( resid  113 and name HD1* 
      ))
     (( resid  113 and name HN 
      ))
           3.8 1.76 1.76
! peak number c 3458  F1=  8.402  F2=  0.961   null   null  d=  4.6
assi (( resid  113 and name HD1* 
      ))
     (( resid  114 and name HN 
      ))
           4.59 2.64 2.64
! peak number c 3454  F1=  6.746  F2=  0.960   null   null  d=  4.3
assi (( resid  113 and name HD1* 
      ))
     (( resid  117 and name HD21 
      ))
           4.3 2.31 2.31
! peak number c 3456  F1=  7.647  F2=  0.960   null   null  d=  4.0
assi (( resid  113 and name HD1* 
      ))
     (( resid  117 and name HD22 
      ))
           4 2.00 2.00
! peak number c 3771  F1=  1.913  F2=  0.959   null   null  d=  4.5
assi (( resid  113 and name HD1* 
      ))
     (( resid  120 and name HB2 
      ))
           4.5 2.53 2.53
! peak number c 3459  F1=  4.763  F2=  0.960   null   null  d=  3.4
assi (( resid  113 and name HD1* 
      ))
     (( resid  21 and name HA) or ( resid 17 and name HA 
      ))
           3.4 1.44 1.44
! peak number c 3455  F1=  7.240  F2=  0.958   null   null  d=  3.1
assi (( resid  113 and name HD1* 
      ))
     (( resid  24 and name HZ 
      ))
           3.1 1.20 1.20
! peak number c 3465  F1=  8.186  F2=  0.867   null   null  d=  3.8
assi (( resid  113 and name HD2* 
      ))
     (( resid  113 and name HN 
      ))
           3.8 1.76 1.76
! peak number c 2846  F1=  0.886  F2=  2.255   null   null  d=  3.3
assi (( resid  113 and name HD2* 
      ))
     (( resid  114 and name HG* 
      ))
           3.3 1.36 1.36
! peak number c 3464  F1=  8.399  F2=  0.862   null   null  d=  3.8
assi (( resid  113 and name HD2* 
      ))
     (( resid  114 and name HN 
      ))
           3.8 1.80 1.80
! peak number c 3467  F1=  6.760  F2=  0.866   null   null  d=  4.4
assi (( resid  113 and name HD2* 
      ))
     (( resid  117 and name HD21 
      ))
           4.4 2.42 2.42
! peak number c 3470  F1=  4.762  F2=  0.863   null   null  d=  3.5
assi (( resid  113 and name HD2* 
      ))
     (( resid  21 and name HA 
      ))
           3.5 1.53 1.53
! peak number c 3468  F1=  2.772  F2=  0.868   null   null  d=  3.5
assi (( resid  113 and name HD2* 
      ))
     (( resid  21 and name HB* 
      ))
           3.5 1.53 1.53
! peak number c 3757  F1=  7.379  F2=  0.857   null   null  d=  4.6
assi (( resid  113 and name HD2* 
      ))
     (( resid  21 and name HD21 
      ))
           4.59 2.64 2.64
! peak number c 2507  F1=  0.851  F2=  3.603   null   null  d=  3.0
assi (( resid  113 and name HD2* 
      ))
     (( resid  22 and name HA1 
      ))
           3 1.16 1.16
! peak number c 3758  F1=  2.275  F2=  0.863   null   null  d=  4.5
assi (( resid  113 and name HD2* 
      ))
     (( resid  23 and name HB1) or ( resid 114 and name HG* 
      ))
           4.5 2.53 2.53
! peak number c 3466  F1=  7.231  F2=  0.859   null   null  d=  3.9
assi (( resid  113 and name HD2* 
      ))
     (( resid  24 and name HZ 
      ))
           3.9 1.90 1.90
! peak number c 26  F1=  0.871  F2=  4.646   null   null  d=  4.2
assi (( resid  113 and name HD2*) or ( resid 10 and name HG1* 
      ))
     (( resid  9 and name HA) or ( resid 23 and name HA 
      ))
           4.2 2.21 2.21
! peak number c 3834  F1=  8.165  F2=  1.577   null   null  d=  3.9
assi (( resid  113 and name HG 
      ))
     (( resid  113 and name HN 
      ))
           3.9 1.90 1.90
! peak number c 3450  F1=  8.377  F2=  1.569   null   null  d=  4.1
assi (( resid  113 and name HG 
      ))
     (( resid  114 and name HN 
      ))
           4.09 2.10 2.10
! peak number c 81  F1=  1.581  F2=  3.741   null   null  d=  5.0
assi (( resid  113 and name HG 
      ))
     (( resid  22 and name HA2 
      ))
           5 3.12 3.12
! peak number c 82  F1=  1.583  F2=  3.652   null   null  d=  4.6
assi (( resid  113 and name HG) or ( resid 113 and name HB* 
      ))
     (( resid  22 and name HA1 
      ))
           4.59 2.64 2.64
! peak number n 1049  F1=  8.408  F2=  8.216   null   null  d=  3.5
assi (( resid  113 and name HN 
      ))
     (( resid  114 and name HN 
      ))
           3.5 0.86 0.86
! peak number c 1179  F1=  8.171  F2=  6.809   null   null  d=  5.4 dist trop loin
! peak number c 1187  F1=  8.204  F2=  6.534   null   null  d=  4.9
assi (( resid  113 and name HN 
      ))
     (( resid  23 and name HE* 
      ))
           4.9 3.00 3.00
! peak number n 1057  F1=  7.269  F2=  8.218   null   null  d=  4.4
assi (( resid  113 and name HN 
      ))
     (( resid  24 and name HZ) or ( resid 23 and name HN 
      ))
           4.4 2.42 2.42
! peak number c 3476  F1=  4.008  F2=  1.858   null   null  d=  3.3
assi (( resid  114 and name HA 
      ))
     (( resid  114 and name HB1 
      ))
           3.3 1.40 1.40
! peak number c 3478  F1=  4.011  F2=  1.961   null   null  d=  3.2
assi (( resid  114 and name HA 
      ))
     (( resid  114 and name HB2 
      ))
           3.2 1.24 1.24
! peak number c 2841  F1=  4.006  F2=  2.254   null   null  d=  3.1
assi (( resid  114 and name HA 
      ))
     (( resid  114 and name HG* 
      ))
           3.1 1.20 1.20
! peak number n 514  F1=  4.034  F2=  8.410   null   null  d=  2.9
assi (( resid  114 and name HA 
      ))
     (( resid  114 and name HN 
      ))
           2.9 0.72 0.72
! peak number n 620  F1=  4.027  F2=  7.593   null   null  d=  3.7
assi (( resid  114 and name HA 
      ))
     (( resid  115 and name HN 
      ))
           3.7 0.93 0.93
! peak number c 240  F1=  4.011  F2=  4.503   null   null  d=  5.0
assi (( resid  114 and name HA 
      ))
     (( resid  117 and name HA 
      ))
           5 1.25 1.25
! peak number c 3506  F1=  4.001  F2=  2.838   null   null  d=  3.8
assi (( resid  114 and name HA 
      ))
     (( resid  117 and name HB1 
      ))
           3.8 1.80 1.80
! peak number c 3507  F1=  4.000  F2=  3.012   null   null  d=  3.9
assi (( resid  114 and name HA 
      ))
     (( resid  117 and name HB2 
      ))
           3.9 1.90 1.90
! peak number n 890  F1=  4.028  F2=  8.569   null   null  d=  3.3
assi (( resid  114 and name HA 
      ))
     (( resid  117 and name HN 
      ))
           3.3 0.82 0.82
! peak number c 3479  F1=  2.256  F2=  1.838   null   null  d=  3.2
assi (( resid  114 and name HB1 
      ))
     (( resid  114 and name HG* 
      ))
           3.2 1.28 1.28
! peak number c 3473  F1=  8.378  F2=  1.851   null   null  d=  3.0
assi (( resid  114 and name HB1 
      ))
     (( resid  114 and name HN 
      ))
           3 1.09 1.09
! peak number c 3475  F1=  7.587  F2=  1.853   null   null  d=  3.7
assi (( resid  114 and name HB1 
      ))
     (( resid  115 and name HN 
      ))
           3.7 1.67 1.67
! peak number c 3480  F1=  2.264  F2=  1.971   null   null  d=  2.4
assi (( resid  114 and name HB2 
      ))
     (( resid  114 and name HG* 
      ))
           2.4 0.72 0.72
! peak number c 3472  F1=  8.383  F2=  1.962   null   null  d=  2.9
assi (( resid  114 and name HB2 
      ))
     (( resid  114 and name HN 
      ))
           2.9 1.05 1.05
! peak number c 3474  F1=  7.595  F2=  1.957   null   null  d=  3.6
assi (( resid  114 and name HB2 
      ))
     (( resid  115 and name HN 
      ))
           3.6 1.62 1.62
! peak number n 513  F1=  2.283  F2=  8.408   null   null  d=  3.0
assi (( resid  114 and name HG* 
      ))
     (( resid  114 and name HN 
      ))
           3 1.12 1.12
! peak number c 2840  F1=  4.226  F2=  2.254   null   null  d=  3.1
assi (( resid  114 and name HG* 
      ))
     (( resid  118 and name HA 
      ))
           3.1 1.20 1.20
! peak number c 3535  F1=  2.237  F2=  3.259   null   null  d=  4.2
assi (( resid  114 and name HG* 
      ))
     (( resid  118 and name HD* 
      ))
           4.2 2.21 2.21
! peak number n 516  F1=  7.590  F2=  8.411   null   null  d=  3.2
assi (( resid  114 and name HN 
      ))
     (( resid  115 and name HN 
      ))
           3.2 0.79 0.79
! peak number c 3483  F1=  2.289  F2=  3.926   null   null  d=  3.2
assi (( resid  115 and name HA 
      ))
     (( resid  115 and name HB2 
      ))
           3.2 1.32 1.32
! peak number n 619  F1=  3.947  F2=  7.594   null   null  d=  3.2
assi (( resid  115 and name HA 
      ))
     (( resid  115 and name HN 
      ))
           3.2 0.80 0.80
! peak number c 461  F1=  1.969  F2=  3.927   null   null  d=  3.6
assi (( resid  115 and name HA 
      ))
     (( resid  118 and name HB2) or ( resid 115 and name HB1 
      ))
           3.6 1.62 1.62
! peak number c 3531  F1=  3.950  F2=  3.260   null   null  d=  4.0
assi (( resid  115 and name HA 
      ))
     (( resid  118 and name HD* 
      ))
           4 2.05 2.05
! peak number n 616  F1=  1.993  F2=  7.592   null   null  d=  3.2
assi (( resid  115 and name HB1 
      ))
     (( resid  115 and name HN 
      ))
           3.2 1.28 1.28
! peak number c 3643  F1=  0.614  F2=  1.978   null   null  d=  3.4
assi (( resid  115 and name HB1 
      ))
     (( resid  61 and name HD1* 
      ))
           3.4 1.44 1.44
! peak number n 617  F1=  2.293  F2=  7.591   null   null  d=  2.8
assi (( resid  115 and name HB2 
      ))
     (( resid  115 and name HN 
      ))
           2.8 0.98 0.98
! peak number n 286  F1=  2.294  F2=  9.185   null   null  d=  3.4
assi (( resid  115 and name HB2 
      ))
     (( resid  116 and name HN 
      ))
           3.4 1.44 1.44
! peak number c 2654  F1=  2.285  F2=  0.646   null   null  d=  3.3
assi (( resid  115 and name HB2 
      ))
     (( resid  61 and name HD1* 
      ))
           3.3 1.36 1.36
! peak number n 334  F1=  5.565  F2=  8.353   null   null  d=  3.3
assi (( resid  115 and name HE21 
      ))
     (( resid  115 and name HE22 
      ))
           3.3 1.36 1.36
! peak number c 2733  F1=  5.554  F2=  0.788   null   null  d=  3.4
assi (( resid  115 and name HE21 
      ))
     (( resid  61 and name HG2* 
      ))
           3.4 1.44 1.44
! peak number c 2755  F1=  5.562  F2=  2.386   null   null  d=  4.3
assi (( resid  115 and name HE21 
      ))
     (( resid  62 and name HB2 
      ))
           4.3 2.31 2.31
! peak number c 3935  F1=  5.565  F2=  1.902   null   null  d=  4.4
assi (( resid  115 and name HE21 
      ))
     (( resid  62 and name HG1 
      ))
           4.4 2.42 2.42
! peak number c 3934  F1=  5.556  F2=  1.837   null   null  d=  5.0
assi (( resid  115 and name HE21 
      ))
     (( resid  62 and name HG2 
      ))
           5 3.12 3.12
! peak number c 2821  F1=  5.559  F2=  3.605   null   null  d=  3.8
assi (( resid  115 and name HE21 
      ))
     (( resid  65 and name HB 
      ))
           3.8 1.80 1.80
! peak number c 2826  F1=  5.553  F2=  1.065   null   null  d=  3.2
assi (( resid  115 and name HE21 
      ))
     (( resid  65 and name HG2* 
      ))
           3.2 1.28 1.28
! peak number c 2864  F1=  5.539  F2=  0.457   null   null  d=  4.1
assi (( resid  115 and name HE21 
      ))
     (( resid  67 and name HG2* 
      ))
           4.09 2.10 2.10
! peak number c 2972  F1=  5.536  F2=  1.317   null   null  d=  3.6
assi (( resid  115 and name HE21 
      ))
     (( resid  78 and name HB* 
      ))
           3.6 1.62 1.62
! peak number c 2843  F1=  8.379  F2=  2.251   null   null  d=  3.1
assi (( resid  115 and name HE22 
      ))
     (( resid  66 and name HG1 
      ))
           3.1 1.20 1.20
! peak number c 2852  F1=  8.366  F2=  0.302   null   null  d=  3.4
assi (( resid  115 and name HE22 
      ))
     (( resid  67 and name HG1* 
      ))
           3.4 1.44 1.44
! peak number c 2973  F1=  8.343  F2=  1.315   null   null  d=  3.0
assi (( resid  115 and name HE22 
      ))
     (( resid  78 and name HB* 
      ))
           3 1.12 1.12
! peak number n 618  F1=  2.410  F2=  7.592   null   null  d=  3.6
assi (( resid  115 and name HG2 
      ))
     (( resid  115 and name HN 
      ))
           3.6 1.62 1.62
! peak number n 290  F1=  7.586  F2=  9.173   null   null  d=  3.5
assi (( resid  115 and name HN 
      ))
     (( resid  116 and name HN 
      ))
           3.5 0.89 0.89
! peak number c 3518  F1=  7.591  F2=  1.952   null   null  d=  3.7
assi (( resid  115 and name HN 
      ))
     (( resid  118 and name HG2 
      ))
           3.7 1.71 1.71
! peak number c 3481  F1=  7.604  F2=  2.255   null   null  d=  4.6
assi (( resid  115 and name HN) or ( resid 100 and name HE21 
      ))
     (( resid  98 and name HG*) or ( resid 114 and name HG* 
      ))
           4.59 2.64 2.64
! peak number c 3485  F1=  9.179  F2=  2.843   null   null  d=  3.4
assi (( resid  116 and name HA1 
      ))
     (( resid  116 and name HN 
      ))
           3.4 0.85 0.85
! peak number c 3486  F1=  8.559  F2=  2.838   null   null  d=  5.6 dist trop loin
! peak number c 3494  F1=  0.152  F2=  2.843   null   null  d=  4.8
assi (( resid  116 and name HA1 
      ))
     (( resid  56 and name HD2* 
      ))
           4.8 2.88 2.88
! peak number c 3493  F1=  0.467  F2=  2.854   null   null  d=  4.4
assi (( resid  116 and name HA1 
      ))
     (( resid  61 and name HG1*) or ( resid 111 and name HD1* 
      ))
           4.4 2.42 2.42
! peak number c 3484  F1=  9.160  F2=  3.227   null   null  d=  3.5
assi (( resid  116 and name HA2 
      ))
     (( resid  116 and name HN 
      ))
           3.5 0.88 0.88
! peak number c 3487  F1=  8.575  F2=  3.231   null   null  d=  4.7
assi (( resid  116 and name HA2 
      ))
     (( resid  117 and name HN 
      ))
           4.7 1.16 1.16
! peak number c 3553  F1=  3.259  F2=  0.733   null   null  d=  3.5
assi (( resid  116 and name HA2 
      ))
     (( resid  119 and name HD1* 
      ))
           3.5 1.53 1.53
! peak number c 3488  F1=  7.239  F2=  3.238   null   null  d=  3.9
assi (( resid  116 and name HA2 
      ))
     (( resid  24 and name HZ) or ( resid 118 and name HN 
      ))
           3.9 1.90 1.90
! peak number c 3495  F1=  0.135  F2=  3.235   null   null  d=  5.3
assi (( resid  116 and name HA2 
      ))
     (( resid  56 and name HD2* 
      ))
           5.3 3.51 3.51
! peak number c 3492  F1=  0.467  F2=  3.223   null   null  d=  4.2
assi (( resid  116 and name HA2 
      ))
     (( resid  61 and name HG1* 
      ))
           4.2 2.26 2.26
! peak number n 291  F1=  8.573  F2=  9.178   null   null  d=  3.0
assi (( resid  116 and name HN 
      ))
     (( resid  117 and name HN 
      ))
           3 0.76 0.76
! peak number n 289  F1=  7.255  F2=  9.185   null   null  d=  3.6
assi (( resid  116 and name HN 
      ))
     (( resid  24 and name HZ) or ( resid 118 and name HN 
      ))
           3.6 1.62 1.62
! peak number c 3505  F1=  4.484  F2=  2.843   null   null  d=  3.6
assi (( resid  117 and name HA 
      ))
     (( resid  117 and name HB1 
      ))
           3.6 1.62 1.62
! peak number c 3504  F1=  4.481  F2=  2.999   null   null  d=  3.8
assi (( resid  117 and name HA 
      ))
     (( resid  117 and name HB2 
      ))
           3.8 1.80 1.80
! peak number n 891  F1=  4.513  F2=  8.569   null   null  d=  2.9
assi (( resid  117 and name HA 
      ))
     (( resid  117 and name HN 
      ))
           2.9 0.72 0.72
! peak number c 475  F1=  4.480  F2=  4.225   null   null  d=  3.8
assi (( resid  117 and name HA 
      ))
     (( resid  118 and name HA 
      ))
           3.8 0.95 0.95
! peak number n 535  F1=  4.529  F2=  7.255   null   null  d=  4.0
assi (( resid  117 and name HA 
      ))
     (( resid  118 and name HN 
      ))
           4 1.00 1.00
! peak number c 480  F1=  4.489  F2=  3.592   null   null  d=  4.1
assi (( resid  117 and name HA 
      ))
     (( resid  120 and name HA 
      ))
           4.09 1.02 1.02
! peak number n 900  F1=  4.505  F2=  7.346   null   null  d=  4.0
assi (( resid  117 and name HA 
      ))
     (( resid  120 and name HN 
      ))
           4 1.00 1.00
! peak number c 3508  F1=  2.997  F2=  2.839   null   null  d=  2.5
assi (( resid  117 and name HB1 
      ))
     (( resid  117 and name HB2 
      ))
           2.5 0.81 0.81
! peak number c 3503  F1=  6.759  F2=  2.842   null   null  d=  4.5
assi (( resid  117 and name HB1 
      ))
     (( resid  117 and name HD21 
      ))
           4.5 2.53 2.53
! peak number c 3499  F1=  7.648  F2=  2.842   null   null  d=  3.9
assi (( resid  117 and name HB1 
      ))
     (( resid  117 and name HD22 
      ))
           3.9 1.90 1.90
! peak number c 3497  F1=  8.543  F2=  2.837   null   null  d=  3.4
assi (( resid  117 and name HB1 
      ))
     (( resid  117 and name HN 
      ))
           3.4 1.44 1.44
! peak number c 3500  F1=  7.257  F2=  2.836   null   null  d=  3.8
assi (( resid  117 and name HB1 
      ))
     (( resid  118 and name HN 
      ))
           3.8 1.76 1.76
! peak number c 3511  F1=  1.915  F2=  2.842   null   null  d=  4.2
assi (( resid  117 and name HB1 
      ))
     (( resid  120 and name HB2 
      ))
           4.2 2.21 2.21
! peak number c 3880  F1=  2.864  F2=  2.138   null   null  d=  3.9
assi (( resid  117 and name HB1 
      ))
     (( resid  121 and name HG1 
      ))
           3.9 1.90 1.90
! peak number n 887  F1=  2.876  F2=  8.569   null   null  d=  2.6
assi (( resid  117 and name HB1) or ( resid 116 and name HA1 
      ))
     (( resid  117 and name HN 
      ))
           2.6 0.85 0.85
! peak number c 3502  F1=  6.752  F2=  2.993   null   null  d=  4.5
assi (( resid  117 and name HB2 
      ))
     (( resid  117 and name HD21 
      ))
           4.5 2.53 2.53
! peak number c 3498  F1=  7.656  F2=  3.002   null   null  d=  3.9
assi (( resid  117 and name HB2 
      ))
     (( resid  117 and name HD22 
      ))
           3.9 1.90 1.90
! peak number c 3496  F1=  8.548  F2=  2.999   null   null  d=  3.0
assi (( resid  117 and name HB2 
      ))
     (( resid  117 and name HN 
      ))
           3 1.16 1.16
! peak number c 3501  F1=  7.246  F2=  3.001   null   null  d=  4.0
assi (( resid  117 and name HB2 
      ))
     (( resid  118 and name HN 
      ))
           4 2.05 2.05
! peak number c 3510  F1=  1.898  F2=  3.009   null   null  d=  4.3
assi (( resid  117 and name HB2 
      ))
     (( resid  120 and name HB2 
      ))
           4.3 2.31 2.31
! peak number n 1226  F1=  6.772  F2=  7.687   null   null  d=  2.6
assi (( resid  117 and name HD21 
      ))
     (( resid  117 and name HD22 
      ))
           2.6 0.85 0.85
! peak number n 892  F1=  1.998  F2=  8.569   null   null  d=  4.0
assi (( resid  117 and name HN 
      ))
     (( resid  118 and name HB2) or ( resid 115 and name HB1) or ( resid 114 and name HB2 
      ))
           4 2.00 2.00
! peak number n 538  F1=  8.569  F2=  7.257   null   null  d=  3.1
assi (( resid  117 and name HN 
      ))
     (( resid  118 and name HN 
      ))
           3.1 0.77 0.77
! peak number n 893  F1=  1.904  F2=  8.570   null   null  d=  3.5
assi (( resid  117 and name HN 
      ))
     (( resid  120 and name HB2) or ( resid 118 and name HG2 
      ))
           3.5 1.53 1.53
! peak number c 472  F1=  1.905  F2=  4.220   null   null  d=  2.9
assi (( resid  118 and name HA 
      ))
     (( resid  118 and name HB1 
      ))
           2.9 1.05 1.05
! peak number c 2833  F1=  4.204  F2=  1.971   null   null  d=  2.9
assi (( resid  118 and name HA 
      ))
     (( resid  118 and name HB2 
      ))
           2.9 1.05 1.05
! peak number c 3530  F1=  4.209  F2=  3.264   null   null  d=  3.5
assi (( resid  118 and name HA 
      ))
     (( resid  118 and name HD* 
      ))
           3.5 1.53 1.53
! peak number c 471  F1=  1.754  F2=  4.223   null   null  d=  3.2
assi (( resid  118 and name HA 
      ))
     (( resid  118 and name HG1 
      ))
           3.2 1.28 1.28
! peak number n 534  F1=  4.243  F2=  7.258   null   null  d=  2.8
assi (( resid  118 and name HA 
      ))
     (( resid  118 and name HN 
      ))
           2.8 0.70 0.70
! peak number c 3514  F1=  3.275  F2=  1.906   null   null  d=  3.2
assi (( resid  118 and name HB1 
      ))
     (( resid  118 and name HD* 
      ))
           3.2 1.28 1.28
! peak number c 2834  F1=  3.274  F2=  1.972   null   null  d=  3.1
assi (( resid  118 and name HB2 
      ))
     (( resid  118 and name HD* 
      ))
           3.1 1.20 1.20
! peak number c 2831  F1=  7.263  F2=  1.992   null   null  d=  3.2
assi (( resid  118 and name HB2 
      ))
     (( resid  118 and name HN 
      ))
           3.2 1.24 1.24
! peak number c 3522  F1=  3.265  F2=  1.740   null   null  d=  2.9
assi (( resid  118 and name HD* 
      ))
     (( resid  118 and name HG1 
      ))
           2.9 1.05 1.05
! peak number c 3533  F1=  1.948  F2=  3.262   null   null  d=  2.4
assi (( resid  118 and name HD* 
      ))
     (( resid  118 and name HG2 
      ))
           2.4 0.72 0.72
! peak number n 532  F1=  3.293  F2=  7.258   null   null  d=  3.4
assi (( resid  118 and name HD* 
      ))
     (( resid  118 and name HN 
      ))
           3.4 1.44 1.44
! peak number c 3536  F1=  0.811  F2=  3.261   null   null  d=  4.5
assi (( resid  118 and name HD* 
      ))
     (( resid  119 and name HD2* 
      ))
           4.5 2.53 2.53
! peak number c 3881  F1=  3.235  F2=  2.140   null   null  d=  4.6
assi (( resid  118 and name HD* 
      ))
     (( resid  121 and name HG1 
      ))
           4.59 2.64 2.64
! peak number c 3528  F1=  7.279  F2=  3.266   null   null  d=  3.3
assi (( resid  118 and name HD* 
      ))
     (( resid  122 and name HE22 
      ))
           3.3 1.36 1.36
! peak number c 3931  F1=  3.278  F2=  1.905   null   null  d=  3.8
assi (( resid  118 and name HD* 
      ))
     (( resid  62 and name HG1) or ( resid 118 and name HG2 
      ))
           3.8 1.80 1.80
! peak number c 479  F1=  3.243  F2=  4.669   null   null  d=  5.3
assi (( resid  118 and name HD*) or ( resid 116 and name HA2 
      ))
     (( resid  119 and name HA 
      ))
           5.3 3.51 3.51
! peak number c 3517  F1=  7.239  F2=  1.739   null   null  d=  3.0
assi (( resid  118 and name HG1 
      ))
     (( resid  118 and name HN 
      ))
           3 1.12 1.12
! peak number c 2785  F1=  7.320  F2=  1.743   null   null  d=  3.2
assi (( resid  118 and name HG1 
      ))
     (( resid  119 and name HN 
      ))
           3.2 1.28 1.28
! peak number c 3521  F1=  3.532  F2=  1.732   null   null  d=  4.2
assi (( resid  118 and name HG1 
      ))
     (( resid  120 and name HA 
      ))
           4.2 2.21 2.21
! peak number c 3516  F1=  7.241  F2=  1.937   null   null  d=  3.6
assi (( resid  118 and name HG2 
      ))
     (( resid  118 and name HN 
      ))
           3.6 1.62 1.62
! peak number n 541  F1=  1.940  F2=  7.377   null   null  d=  3.2
assi (( resid  118 and name HG2 
      ))
     (( resid  119 and name HN 
      ))
           3.2 1.28 1.28
! peak number c 3527  F1=  0.618  F2=  1.947   null   null  d=  3.4
assi (( resid  118 and name HG2 
      ))
     (( resid  61 and name HD1* 
      ))
           3.4 1.44 1.44
! peak number n 528  F1=  1.914  F2=  7.258   null   null  d=  2.7
assi (( resid  118 and name HG2) or ( resid 118 and name HB1 
      ))
     (( resid  118 and name HN 
      ))
           2.7 0.91 0.91
! peak number n 537  F1=  7.362  F2=  7.259   null   null  d=  2.8
assi (( resid  118 and name HN 
      ))
     (( resid  119 and name HN 
      ))
           2.8 0.70 0.70
! peak number c 3542  F1=  4.675  F2=  1.714   null   null  d=  4.1
assi (( resid  119 and name HA 
      ))
     (( resid  119 and name HB1 
      ))
           4.09 2.10 2.10
! peak number c 3543  F1=  4.665  F2=  1.771   null   null  d=  3.9
assi (( resid  119 and name HA 
      ))
     (( resid  119 and name HB2 
      ))
           3.9 1.90 1.90
! peak number c 476  F1=  0.733  F2=  4.665   null   null  d=  4.1
assi (( resid  119 and name HA 
      ))
     (( resid  119 and name HD1* 
      ))
           4.09 2.10 2.10
! peak number c 2478  F1=  4.674  F2=  0.836   null   null  d=  3.0
assi (( resid  119 and name HA 
      ))
     (( resid  119 and name HD2* 
      ))
           3 1.12 1.12
! peak number c 478  F1=  1.713  F2=  4.667   null   null  d=  3.2
assi (( resid  119 and name HA 
      ))
     (( resid  119 and name HG) or ( resid 119 and name HB1 
      ))
           3.2 1.28 1.28
! peak number n 546  F1=  4.685  F2=  7.377   null   null  d=  3.2
assi (( resid  119 and name HA 
      ))
     (( resid  119 and name HN 
      ))
           3.2 0.80 0.80
! peak number n 902  F1=  4.663  F2=  7.342   null   null  d=  4.0
assi (( resid  119 and name HA 
      ))
     (( resid  120 and name HN 
      ))
           4 1.00 1.00
! peak number c 1255  F1=  4.663  F2=  7.250   null   null  d=  4.4
assi (( resid  119 and name HA 
      ))
     (( resid  123 and name HD* 
      ))
           4.4 2.42 2.42
! peak number c 3550  F1=  1.722  F2=  0.728   null   null  d=  2.7
assi (( resid  119 and name HB1 
      ))
     (( resid  119 and name HD1* 
      ))
           2.7 0.91 0.91
! peak number c 3540  F1=  0.816  F2=  1.716   null   null  d=  3.1
assi (( resid  119 and name HB1 
      ))
     (( resid  119 and name HD2* 
      ))
           3.1 1.20 1.20
! peak number n 539  F1=  1.739  F2=  7.377   null   null  d=  2.9
assi (( resid  119 and name HB1 
      ))
     (( resid  119 and name HN 
      ))
           2.9 1.05 1.05
! peak number c 3545  F1=  7.294  F2=  1.702   null   null  d=  3.4
assi (( resid  119 and name HB1 
      ))
     (( resid  120 and name HN) or ( resid 119 and name HN 
      ))
           3.4 1.44 1.44
! peak number c 3871  F1=  1.727  F2=  2.553   null   null  d=  4.0
assi (( resid  119 and name HB1 
      ))
     (( resid  123 and name HB1 
      ))
           4 2.00 2.00
! peak number c 3538  F1=  0.145  F2=  1.715   null   null  d=  4.4
assi (( resid  119 and name HB1 
      ))
     (( resid  56 and name HD2* 
      ))
           4.4 2.42 2.42
! peak number c 3544  F1=  7.295  F2=  1.785   null   null  d=  3.2
assi (( resid  119 and name HB2 
      ))
     (( resid  119 and name HN 
      ))
           3.2 1.28 1.28
! peak number n 904  F1=  1.835  F2=  7.347   null   null  d=  2.9
assi (( resid  119 and name HB2 
      ))
     (( resid  120 and name HN 
      ))
           2.9 1.05 1.05
! peak number c 3539  F1=  0.138  F2=  1.774   null   null  d=  4.1
assi (( resid  119 and name HB2 
      ))
     (( resid  56 and name HD2* 
      ))
           4.09 2.10 2.10
! peak number c 3541  F1=  0.781  F2=  1.779   null   null  d=  3.2
assi (( resid  119 and name HB2 
      ))
     (( resid  61 and name HG2* 
      ))
           3.2 1.28 1.28
! peak number c 3552  F1=  7.285  F2=  0.733   null   null  d=  3.7
assi (( resid  119 and name HD1* 
      ))
     (( resid  119 and name HN 
      ))
           3.7 1.71 1.71
! peak number c 3728  F1=  3.558  F2=  0.736   null   null  d=  4.0
assi (( resid  119 and name HD1* 
      ))
     (( resid  120 and name HA 
      ))
           4 2.00 2.00
! peak number c 3730  F1=  0.146  F2=  0.732   null   null  d=  3.2
assi (( resid  119 and name HD1* 
      ))
     (( resid  56 and name HD2* 
      ))
           3.2 1.28 1.28
! peak number c 2173  F1=  0.709  F2=  2.608   null   null  d=  3.2
assi (( resid  119 and name HD1* 
      ))
     (( resid  59 and name HB1 
      ))
           3.2 1.28 1.28
! peak number c 3551  F1=  0.508  F2=  0.735   null   null  d=  2.5
assi (( resid  119 and name HD1* 
      ))
     (( resid  61 and name HG1* 
      ))
           2.5 0.78 0.78
! peak number c 3548  F1=  0.860  F2=  1.693   null   null  d=  2.8
assi (( resid  119 and name HD2* 
      ))
     (( resid  119 and name HG 
      ))
           2.8 0.98 0.98
! peak number c 2482  F1=  7.278  F2=  0.832   null   null  d=  3.3
assi (( resid  119 and name HD2* 
      ))
     (( resid  119 and name HN 
      ))
           3.3 1.40 1.40
! peak number c 1252  F1=  0.810  F2=  7.250   null   null  d=  3.9
assi (( resid  119 and name HD2* 
      ))
     (( resid  123 and name HD* 
      ))
           3.9 1.90 1.90
! peak number c 2481  F1=  6.821  F2=  0.828   null   null  d=  3.4
assi (( resid  119 and name HD2* 
      ))
     (( resid  123 and name HE* 
      ))
           3.4 1.44 1.44
! peak number c 3596  F1=  0.830  F2=  1.355   null   null  d=  4.3
assi (( resid  119 and name HD2* 
      ))
     (( resid  125 and name HB2 
      ))
           4.3 2.31 2.31
! peak number c 2469  F1=  0.570  F2=  0.840   null   null  d=  3.1
assi (( resid  119 and name HD2* 
      ))
     (( resid  56 and name HD1* 
      ))
           3.1 1.20 1.20
! peak number c 2466  F1=  0.140  F2=  0.830   null   null  d=  3.8
assi (( resid  119 and name HD2* 
      ))
     (( resid  56 and name HD2* 
      ))
           3.8 1.80 1.80
! peak number c 2467  F1=  0.463  F2=  0.832   null   null  d=  3.2
assi (( resid  119 and name HD2* 
      ))
     (( resid  61 and name HG1* 
      ))
           3.2 1.28 1.28
! peak number c 2475  F1=  3.310  F2=  0.832   null   null  d=  3.8
assi (( resid  119 and name HD2* 
      ))
     (( resid  62 and name HD1 
      ))
           3.8 1.80 1.80
! peak number c 3924  F1=  0.817  F2=  1.904   null   null  d=  3.5
assi (( resid  119 and name HD2* 
      ))
     (( resid  62 and name HG1) or ( resid 118 and name HG2 
      ))
           3.5 1.53 1.53
! peak number c 3546  F1=  7.313  F2=  1.687   null   null  d=  3.0
assi (( resid  119 and name HG 
      ))
     (( resid  120 and name HN) or ( resid 119 and name HN 
      ))
           3 1.12 1.12
! peak number c 3219  F1=  1.661  F2=  1.947   null   null  d=  2.2
assi (( resid  119 and name HG 
      ))
     (( resid  122 and name HG2 
      ))
           2.2 0.61 0.61
! peak number c 491  F1=  1.719  F2=  4.795   null   null  d=  5.0
assi (( resid  119 and name HG 
      ))
     (( resid  123 and name HA 
      ))
           5 3.12 3.12
! peak number c 1254  F1=  1.708  F2=  7.248   null   null  d=  3.0
assi (( resid  119 and name HG 
      ))
     (( resid  123 and name HD* 
      ))
           3 1.12 1.12
! peak number c 3549  F1=  0.502  F2=  1.693   null   null  d=  3.8
assi (( resid  119 and name HG 
      ))
     (( resid  61 and name HG1* 
      ))
           3.8 1.80 1.80
! peak number c 42  F1=  4.388  F2=  3.617   null   null  d=  2.5
assi (( resid  11 and name HA1 
      ))
     (( resid  11 and name HA2 
      ))
           2.5 0.62 0.62
! peak number n 502  F1=  3.631  F2=  8.920   null   null  d=  3.0
assi (( resid  11 and name HA1 
      ))
     (( resid  11 and name HN 
      ))
           3 0.75 0.75
! peak number n 854  F1=  3.628  F2=  7.595   null   null  d=  3.5
assi (( resid  11 and name HA1 
      ))
     (( resid  12 and name HN 
      ))
           3.5 0.88 0.88
! peak number n 503  F1=  4.424  F2=  8.931   null   null  d=  2.8
assi (( resid  11 and name HA2 
      ))
     (( resid  11 and name HN 
      ))
           2.8 0.70 0.70
! peak number n 856  F1=  4.421  F2=  7.599   null   null  d=  3.0
assi (( resid  11 and name HA2 
      ))
     (( resid  12 and name HN 
      ))
           3 0.75 0.75
! peak number n 506  F1=  7.601  F2=  8.930   null   null  d=  3.1
assi (( resid  11 and name HN 
      ))
     (( resid  12 and name HN 
      ))
           3.1 0.78 0.78
! peak number c 3558  F1=  3.554  F2=  1.758   null   null  d=  4.4
assi (( resid  120 and name HA 
      ))
     (( resid  120 and name HB1 
      ))
           4.4 2.42 2.42
! peak number c 3557  F1=  3.584  F2=  1.890   null   null  d=  3.2
assi (( resid  120 and name HA 
      ))
     (( resid  120 and name HB2 
      ))
           3.2 1.32 1.32
! peak number n 899  F1=  3.604  F2=  7.347   null   null  d=  3.3
assi (( resid  120 and name HA 
      ))
     (( resid  120 and name HN 
      ))
           3.3 0.82 0.82
! peak number n 1277  F1=  3.594  F2=  8.148   null   null  d=  5.0
assi (( resid  120 and name HA 
      ))
     (( resid  123 and name HN 
      ))
           5 1.25 1.25
! peak number c 6  F1=  3.581  F2=  3.976   null   null  d=  3.6
assi (( resid  120 and name HA 
      ))
     (( resid  124 and name HA1 
      ))
           3.6 0.90 0.90
! peak number n 340  F1=  3.613  F2=  8.374   null   null  d=  3.3
assi (( resid  120 and name HA 
      ))
     (( resid  124 and name HN 
      ))
           3.3 0.82 0.82
! peak number c 482  F1=  1.754  F2=  3.572   null   null  d=  3.4
assi (( resid  120 and name HA 
      ))
     (( resid  125 and name HB1 
      ))
           3.4 1.44 1.44
! peak number n 303  F1=  3.630  F2=  8.053   null   null  d=  3.3
assi (( resid  120 and name HA 
      ))
     (( resid  126 and name HN 
      ))
           3.3 0.82 0.82
! peak number c 483  F1=  0.546  F2=  3.580   null   null  d=  3.4
assi (( resid  120 and name HA 
      ))
     (( resid  56 and name HD1* 
      ))
           3.4 1.44 1.44
! peak number c 3555  F1=  7.322  F2=  1.759   null   null  d=  3.8
assi (( resid  120 and name HB1 
      ))
     (( resid  120 and name HN 
      ))
           3.8 1.80 1.80
! peak number n 897  F1=  1.734  F2=  7.352   null   null  d=  3.3
assi (( resid  120 and name HB1) or ( resid 119 and name HB1 
      ))
     (( resid  120 and name HN 
      ))
           3.3 1.36 1.36
! peak number c 3554  F1=  7.327  F2=  1.884   null   null  d=  2.9
assi (( resid  120 and name HB2 
      ))
     (( resid  120 and name HN 
      ))
           2.9 1.02 1.02
! peak number c 3625  F1=  1.887  F2=  0.263   null   null  d=  3.4
assi (( resid  120 and name HB2 
      ))
     (( resid  125 and name HD2* 
      ))
           3.4 1.44 1.44
! peak number c 3560  F1=  0.556  F2=  1.891   null   null  d=  3.8
assi (( resid  120 and name HB2 
      ))
     (( resid  56 and name HD1* 
      ))
           3.8 1.80 1.80
! peak number n 1276  F1=  8.664  F2=  7.350   null   null  d=  4.6
assi (( resid  120 and name HN 
      ))
     (( resid  121 and name HN 
      ))
           4.59 1.15 1.15
! peak number c 3562  F1=  3.824  F2=  1.965   null   null  d=  3.0
assi (( resid  121 and name HA 
      ))
     (( resid  121 and name HB* 
      ))
           3 1.16 1.16
! peak number c 2946  F1=  3.844  F2=  2.134   null   null  d=  3.0
assi (( resid  121 and name HA 
      ))
     (( resid  121 and name HG1 
      ))
           3 1.12 1.12
! peak number c 3567  F1=  3.839  F2=  2.200   null   null  d=  2.9
assi (( resid  121 and name HA 
      ))
     (( resid  121 and name HG2 
      ))
           2.9 1.05 1.05
! peak number c 485  F1=  2.161  F2=  3.837   null   null  d=  2.9
assi (( resid  121 and name HA 
      ))
     (( resid  121 and name HG* 
      ))
           2.9 1.05 1.05
! peak number n 1205  F1=  3.867  F2=  8.694   null   null  d=  3.3
assi (( resid  121 and name HA 
      ))
     (( resid  121 and name HN 
      ))
           3.3 0.82 0.82
! peak number n 417  F1=  3.867  F2=  7.907   null   null  d=  3.7
assi (( resid  121 and name HA 
      ))
     (( resid  122 and name HN 
      ))
           3.7 0.93 0.93
! peak number n 1207  F1=  1.984  F2=  8.695   null   null  d=  2.7
assi (( resid  121 and name HB1 
      ))
     (( resid  121 and name HN 
      ))
           2.7 0.91 0.91
! peak number c 3566  F1=  2.182  F2=  1.966   null   null  d=  2.3
assi (( resid  121 and name HB* 
      ))
     (( resid  121 and name HG2 
      ))
           2.29 0.66 0.66
! peak number c 3565  F1=  8.643  F2=  1.962   null   null  d=  3.0
assi (( resid  121 and name HB* 
      ))
     (( resid  121 and name HN 
      ))
           3 1.12 1.12
! peak number c 3564  F1=  7.901  F2=  1.960   null   null  d=  3.1
assi (( resid  121 and name HB* 
      ))
     (( resid  122 and name HN 
      ))
           3.1 1.20 1.20
! peak number c 507  F1=  1.944  F2=  3.911   null   null  d=  4.3
assi (( resid  121 and name HB* 
      ))
     (( resid  126 and name HA1 
      ))
           4.3 2.31 2.31
! peak number c 2944  F1=  8.652  F2=  2.132   null   null  d=  3.6
assi (( resid  121 and name HG1 
      ))
     (( resid  121 and name HN 
      ))
           3.6 1.62 1.62
! peak number c 3568  F1=  8.637  F2=  2.198   null   null  d=  3.6
assi (( resid  121 and name HG2 
      ))
     (( resid  121 and name HN 
      ))
           3.6 1.62 1.62
! peak number c 3838  F1=  2.178  F2=  1.621   null   null  d=  3.7
assi (( resid  121 and name HG2 
      ))
     (( resid  122 and name HG1 
      ))
           3.7 1.71 1.71
! peak number n 415  F1=  2.236  F2=  7.902   null   null  d=  4.0
assi (( resid  121 and name HG2 
      ))
     (( resid  122 and name HN 
      ))
           4 2.00 2.00
! peak number n 1203  F1=  7.904  F2=  8.694   null   null  d=  3.5
assi (( resid  121 and name HN 
      ))
     (( resid  122 and name HN 
      ))
           3.5 0.88 0.88
! peak number c 3578  F1=  4.083  F2=  1.374   null   null  d=  3.0
assi (( resid  122 and name HA 
      ))
     (( resid  122 and name HB1 
      ))
           3 1.12 1.12
! peak number c 3576  F1=  4.077  F2=  1.720   null   null  d=  3.0
assi (( resid  122 and name HA 
      ))
     (( resid  122 and name HB2 
      ))
           3 1.16 1.16
! peak number c 3215  F1=  4.083  F2=  1.627   null   null  d=  3.2
assi (( resid  122 and name HA 
      ))
     (( resid  122 and name HG1 
      ))
           3.2 1.32 1.32
! peak number c 3214  F1=  4.086  F2=  1.950   null   null  d=  3.1
assi (( resid  122 and name HA 
      ))
     (( resid  122 and name HG2 
      ))
           3.1 1.20 1.20
! peak number n 416  F1=  4.113  F2=  7.908   null   null  d=  2.7
assi (( resid  122 and name HA 
      ))
     (( resid  122 and name HN 
      ))
           2.7 0.68 0.68
! peak number n 383  F1=  4.112  F2=  8.148   null   null  d=  3.1
assi (( resid  122 and name HA 
      ))
     (( resid  123 and name HN 
      ))
           3.1 0.78 0.78
! peak number c 3581  F1=  1.706  F2=  1.367   null   null  d=  3.0
assi (( resid  122 and name HB1 
      ))
     (( resid  122 and name HB2 
      ))
           3 1.09 1.09
! peak number c 3575  F1=  6.813  F2=  1.365   null   null  d=  4.1
assi (( resid  122 and name HB1 
      ))
     (( resid  122 and name HE21 
      ))
           4.09 2.10 2.10
! peak number c 3217  F1=  1.389  F2=  1.623   null   null  d=  2.7
assi (( resid  122 and name HB1 
      ))
     (( resid  122 and name HG1 
      ))
           2.7 0.91 0.91
! peak number c 3216  F1=  1.399  F2=  1.948   null   null  d=  3.0
assi (( resid  122 and name HB1 
      ))
     (( resid  122 and name HG2 
      ))
           3 1.12 1.12
! peak number c 3572  F1=  7.889  F2=  1.368   null   null  d=  3.1
assi (( resid  122 and name HB1 
      ))
     (( resid  122 and name HN 
      ))
           3.1 1.20 1.20
! peak number c 1253  F1=  1.373  F2=  7.249   null   null  d=  4.3
assi (( resid  122 and name HB1 
      ))
     (( resid  123 and name HD* 
      ))
           4.3 2.37 2.37
! peak number c 1249  F1=  1.364  F2=  6.825   null   null  d=  3.7
assi (( resid  122 and name HB1 
      ))
     (( resid  123 and name HE* 
      ))
           3.7 1.71 1.71
! peak number c 3571  F1=  8.123  F2=  1.369   null   null  d=  3.5
assi (( resid  122 and name HB1 
      ))
     (( resid  123 and name HN 
      ))
           3.5 1.58 1.58
! peak number c 3574  F1=  6.795  F2=  1.737   null   null  d=  3.8
assi (( resid  122 and name HB2 
      ))
     (( resid  122 and name HE21 
      ))
           3.8 1.80 1.80
! peak number c 3569  F1=  7.885  F2=  1.716   null   null  d=  3.0
assi (( resid  122 and name HB2 
      ))
     (( resid  122 and name HN 
      ))
           3 1.09 1.09
! peak number c 3577  F1=  4.760  F2=  1.715   null   null  d=  4.5
assi (( resid  122 and name HB2 
      ))
     (( resid  123 and name HA 
      ))
           4.5 2.53 2.53
! peak number c 2082  F1=  7.268  F2=  1.723   null   null  d=  3.7
assi (( resid  122 and name HB2 
      ))
     (( resid  123 and name HD*) or ( resid 122 and name HE22 
      ))
           3.7 1.71 1.71
! peak number c 1248  F1=  1.698  F2=  6.830   null   null  d=  3.1
assi (( resid  122 and name HB2 
      ))
     (( resid  123 and name HE* 
      ))
           3.1 1.20 1.20
! peak number c 3570  F1=  8.116  F2=  1.715   null   null  d=  4.0
assi (( resid  122 and name HB2 
      ))
     (( resid  123 and name HN 
      ))
           4 2.00 2.00
! peak number n 378  F1=  1.745  F2=  8.149   null   null  d=  3.0
assi (( resid  122 and name HB2) or ( resid 119 and name HB1 
      ))
     (( resid  123 and name HN 
      ))
           3 1.12 1.12
! peak number n 1230  F1=  6.731  F2=  7.348   null   null  d=  1.9
assi (( resid  122 and name HE21 
      ))
     (( resid  122 and name HE22 
      ))
           1.9 0.48 0.48
! peak number c 3211  F1=  6.784  F2=  1.623   null   null  d=  3.9
assi (( resid  122 and name HE21 
      ))
     (( resid  122 and name HG1 
      ))
           3.9 1.90 1.90
! peak number c 3212  F1=  6.763  F2=  1.950   null   null  d=  3.9
assi (( resid  122 and name HE21 
      ))
     (( resid  122 and name HG2 
      ))
           3.9 1.90 1.90
! peak number n 1232  F1=  6.843  F2=  6.735   null   null  d=  3.7
assi (( resid  122 and name HE21 
      ))
     (( resid  123 and name HE* 
      ))
           3.7 1.71 1.71
! peak number c 3210  F1=  7.287  F2=  1.629   null   null  d=  3.4
assi (( resid  122 and name HE22 
      ))
     (( resid  122 and name HG1 
      ))
           3.4 1.40 1.40
! peak number c 3213  F1=  7.288  F2=  1.952   null   null  d=  3.5
assi (( resid  122 and name HE22 
      ))
     (( resid  122 and name HG2 
      ))
           3.5 1.58 1.58
! peak number n 1231  F1=  6.839  F2=  7.349   null   null  d=  3.3
assi (( resid  122 and name HE22 
      ))
     (( resid  123 and name HE* 
      ))
           3.3 1.36 1.36
! peak number c 3218  F1=  1.948  F2=  1.627   null   null  d=  2.4
assi (( resid  122 and name HG1 
      ))
     (( resid  122 and name HG2 
      ))
           2.4 0.72 0.72
! peak number c 3208  F1=  7.887  F2=  1.630   null   null  d=  3.8
assi (( resid  122 and name HG1 
      ))
     (( resid  122 and name HN 
      ))
           3.8 1.80 1.80
! peak number c 3209  F1=  8.120  F2=  1.630   null   null  d=  4.8
assi (( resid  122 and name HG1 
      ))
     (( resid  123 and name HN 
      ))
           4.8 2.88 2.88
! peak number c 3207  F1=  7.902  F2=  1.950   null   null  d=  3.0
assi (( resid  122 and name HG2 
      ))
     (( resid  122 and name HN 
      ))
           3 1.16 1.16
! peak number c 3206  F1=  8.135  F2=  1.954   null   null  d=  4.3
assi (( resid  122 and name HG2 
      ))
     (( resid  123 and name HN 
      ))
           4.3 2.31 2.31
! peak number n 418  F1=  7.250  F2=  7.909   null   null  d=  3.5
assi (( resid  122 and name HN 
      ))
     (( resid  123 and name HD* 
      ))
           3.5 1.53 1.53
! peak number c 1257  F1=  7.919  F2=  6.830   null   null  d=  4.4
assi (( resid  122 and name HN 
      ))
     (( resid  123 and name HE* 
      ))
           4.4 2.42 2.42
! peak number n 391  F1=  7.910  F2=  8.146   null   null  d=  2.8
assi (( resid  122 and name HN 
      ))
     (( resid  123 and name HN 
      ))
           2.8 0.71 0.71
! peak number c 2218  F1=  4.786  F2=  2.536   null   null  d=  4.0
assi (( resid  123 and name HA 
      ))
     (( resid  123 and name HB1 
      ))
           4 2.05 2.05
! peak number c 2217  F1=  4.794  F2=  3.117   null   null  d=  3.6
assi (( resid  123 and name HA 
      ))
     (( resid  123 and name HB2 
      ))
           3.6 1.62 1.62
! peak number c 1027  F1=  4.783  F2=  7.250   null   null  d=  3.3
assi (( resid  123 and name HA 
      ))
     (( resid  123 and name HD* 
      ))
           3.3 1.36 1.36
! peak number n 382  F1=  4.807  F2=  8.144   null   null  d=  2.9
assi (( resid  123 and name HA 
      ))
     (( resid  123 and name HN 
      ))
           2.9 0.72 0.72
! peak number c 2219  F1=  3.126  F2=  2.550   null   null  d=  3.7
assi (( resid  123 and name HB1 
      ))
     (( resid  123 and name HB2 
      ))
           3.7 1.67 1.67
! peak number c 1028  F1=  2.552  F2=  7.250   null   null  d=  4.0
assi (( resid  123 and name HB1 
      ))
     (( resid  123 and name HD* 
      ))
           4 2.00 2.00
! peak number c 2214  F1=  8.116  F2=  2.541   null   null  d=  3.8
assi (( resid  123 and name HB1 
      ))
     (( resid  123 and name HN 
      ))
           3.8 1.76 1.76
! peak number c 3870  F1=  8.364  F2=  2.534   null   null  d=  4.7
assi (( resid  123 and name HB1 
      ))
     (( resid  124 and name HN 
      ))
           4.7 2.76 2.76
! peak number c 1029  F1=  3.111  F2=  7.250   null   null  d=  3.6
assi (( resid  123 and name HB2 
      ))
     (( resid  123 and name HD* 
      ))
           3.6 1.62 1.62
! peak number c 1251  F1=  3.109  F2=  6.822   null   null  d=  4.1
assi (( resid  123 and name HB2 
      ))
     (( resid  123 and name HE* 
      ))
           4.09 2.10 2.10
! peak number c 2213  F1=  8.112  F2=  3.114   null   null  d=  3.6
assi (( resid  123 and name HB2 
      ))
     (( resid  123 and name HN 
      ))
           3.6 1.62 1.62
! peak number c 3110  F1=  3.130  F2=  2.820   null   null  d=  3.1
assi (( resid  123 and name HB2 
      ))
     (( resid  59 and name HB2 
      ))
           3.1 1.20 1.20
! peak number c 1024  F1=  6.823  F2=  7.249   null   null  d=  2.8
assi (( resid  123 and name HD* 
      ))
     (( resid  123 and name HE* 
      ))
           2.8 0.98 0.98
! peak number c 1026  F1=  8.127  F2=  7.249   null   null  d=  3.3
assi (( resid  123 and name HD* 
      ))
     (( resid  123 and name HN 
      ))
           3.3 1.36 1.36
! peak number c 1256  F1=  7.264  F2=  6.835   null   null  d=  2.5
assi (( resid  123 and name HD*) or ( resid 122 and name HE22 
      ))
     (( resid  123 and name HE* 
      ))
           2.5 0.78 0.78
! peak number c 1032  F1=  8.136  F2=  6.834   null   null  d=  4.2
assi (( resid  123 and name HE* 
      ))
     (( resid  123 and name HN 
      ))
           4.2 2.15 2.15
! peak number c 1050  F1=  8.352  F2=  6.826   null   null  d=  5.4 dist trop loin
! peak number c 1250  F1=  0.816  F2=  6.833   null   null  d=  3.4
assi (( resid  123 and name HE* 
      ))
     (( resid  61 and name HG2*) or ( resid 119 and name HD2* 
      ))
           3.4 1.44 1.44
! peak number c 1247  F1=  1.871  F2=  6.828   null   null  d=  3.6
assi (( resid  123 and name HE* 
      ))
     (( resid  62 and name HG1 
      ))
           3.6 1.67 1.67
! peak number c 3937  F1=  6.822  F2=  1.841   null   null  d=  4.3
assi (( resid  123 and name HE* 
      ))
     (( resid  62 and name HG2 
      ))
           4.3 2.31 2.31
! peak number n 346  F1=  8.143  F2=  8.375   null   null  d=  3.0
assi (( resid  123 and name HN 
      ))
     (( resid  124 and name HN 
      ))
           3 0.75 0.75
! peak number c 3583  F1=  8.353  F2=  3.960   null   null  d=  3.0
assi (( resid  124 and name HA1 
      ))
     (( resid  124 and name HN 
      ))
           3 0.75 0.75
! peak number n 240  F1=  3.996  F2=  8.337   null   null  d=  3.1
assi (( resid  124 and name HA1 
      ))
     (( resid  125 and name HN 
      ))
           3.1 0.78 0.78
! peak number c 5  F1=  0.567  F2=  3.992   null   null  d=  4.1
assi (( resid  124 and name HA1 
      ))
     (( resid  56 and name HD1* 
      ))
           4.09 2.10 2.10
! peak number c 9  F1=  4.638  F2=  3.986   null   null  d=  4.7
assi (( resid  124 and name HA1 
      ))
     (( resid  60 and name HA 
      ))
           4.7 1.18 1.18
! peak number n 342  F1=  4.512  F2=  8.373   null   null  d=  3.0
assi (( resid  124 and name HA2 
      ))
     (( resid  124 and name HN 
      ))
           3 0.75 0.75
! peak number n 242  F1=  4.509  F2=  8.337   null   null  d=  3.0
assi (( resid  124 and name HA2 
      ))
     (( resid  125 and name HN 
      ))
           3 0.75 0.75
! peak number c 498  F1=  0.550  F2=  4.499   null   null  d=  4.4
assi (( resid  124 and name HA2 
      ))
     (( resid  56 and name HD1* 
      ))
           4.4 2.42 2.42
! peak number c 2684  F1=  4.471  F2=  0.762   null   null  d=  4.0
assi (( resid  124 and name HA2 
      ))
     (( resid  57 and name HD2* 
      ))
           4 2.00 2.00
! peak number c 3691  F1=  4.503  F2=  0.256   null   null  d=  4.7
assi (( resid  124 and name HA2) or ( resid 117 and name HA 
      ))
     (( resid  125 and name HD2* 
      ))
           4.7 2.76 2.76
! peak number n 347  F1=  0.585  F2=  8.374   null   null  d=  3.4
assi (( resid  124 and name HN 
      ))
     (( resid  56 and name HD1* 
      ))
           3.4 1.44 1.44
! peak number c 504  F1=  1.731  F2=  4.181   null   null  d=  3.9
assi (( resid  125 and name HA 
      ))
     (( resid  125 and name HB1 
      ))
           3.9 1.90 1.90
! peak number c 3591  F1=  4.179  F2=  1.367   null   null  d=  3.8
assi (( resid  125 and name HA 
      ))
     (( resid  125 and name HB2 
      ))
           3.8 1.76 1.76
! peak number c 3610  F1=  4.166  F2=  0.351   null   null  d=  3.5
assi (( resid  125 and name HA 
      ))
     (( resid  125 and name HD1* 
      ))
           3.5 1.58 1.58
! peak number c 3622  F1=  4.157  F2=  0.256   null   null  d=  4.0
assi (( resid  125 and name HA 
      ))
     (( resid  125 and name HD2* 
      ))
           4 2.00 2.00
! peak number c 3601  F1=  4.169  F2=  1.233   null   null  d=  4.0
assi (( resid  125 and name HA 
      ))
     (( resid  125 and name HG 
      ))
           4 2.00 2.00
! peak number n 241  F1=  4.204  F2=  8.337   null   null  d=  3.1
assi (( resid  125 and name HA 
      ))
     (( resid  125 and name HN 
      ))
           3.1 0.78 0.78
! peak number c 3589  F1=  1.703  F2=  1.361   null   null  d=  2.9
assi (( resid  125 and name HB1 
      ))
     (( resid  125 and name HB2 
      ))
           2.9 1.02 1.02
! peak number c 3613  F1=  1.721  F2=  0.354   null   null  d=  3.6
assi (( resid  125 and name HB1 
      ))
     (( resid  125 and name HD1* 
      ))
           3.6 1.62 1.62
! peak number n 247  F1=  1.763  F2=  8.337   null   null  d=  3.2
assi (( resid  125 and name HB1 
      ))
     (( resid  125 and name HN 
      ))
           3.2 1.28 1.28
! peak number c 3593  F1=  8.061  F2=  1.711   null   null  d=  4.0
assi (( resid  125 and name HB1 
      ))
     (( resid  126 and name HN 
      ))
           4 2.00 2.00
! peak number c 3384  F1=  3.008  F2=  1.715   null   null  d=  4.7
assi (( resid  125 and name HB1) or ( resid 110 and name HB 
      ))
     (( resid  24 and name HB2) or ( resid 117 and name HB2 
      ))
           4.7 2.76 2.76
! peak number c 3592  F1=  4.209  F2=  1.730   null   null  d=  3.5
assi (( resid  125 and name HB1) or ( resid 110 and name HB 
      ))
     (( resid  26 and name HB1) or ( resid 113 and name HA 
      ))
           3.5 1.53 1.53
! peak number c 3626  F1=  1.728  F2=  0.261   null   null  d=  3.3
assi (( resid  125 and name HB1) or ( resid 119 and name HB1 
      ))
     (( resid  125 and name HD2* 
      ))
           3.3 1.36 1.36
! peak number n 308  F1=  1.768  F2=  8.054   null   null  d=  3.4
assi (( resid  125 and name HB1) or ( resid 120 and name HB1 
      ))
     (( resid  126 and name HN 
      ))
           3.4 1.44 1.44
! peak number c 3587  F1=  0.291  F2=  1.351   null   null  d=  3.1
assi (( resid  125 and name HB2 
      ))
     (( resid  125 and name HD2* 
      ))
           3.1 1.24 1.24
! peak number c 3597  F1=  1.246  F2=  1.351   null   null  d=  3.3
assi (( resid  125 and name HB2 
      ))
     (( resid  125 and name HG 
      ))
           3.3 1.36 1.36
! peak number c 3595  F1=  8.336  F2=  1.357   null   null  d=  3.3
assi (( resid  125 and name HB2 
      ))
     (( resid  125 and name HN 
      ))
           3.3 1.40 1.40
! peak number c 3594  F1=  8.052  F2=  1.353   null   null  d=  4.2
assi (( resid  125 and name HB2 
      ))
     (( resid  126 and name HN 
      ))
           4.2 2.26 2.26
! peak number c 3803  F1=  4.291  F2=  1.369   null   null  d=  4.3
assi (( resid  125 and name HB2 
      ))
     (( resid  58 and name HA 
      ))
           4.3 2.31 2.31
! peak number c 3604  F1=  0.350  F2=  1.258   null   null  d=  3.1
assi (( resid  125 and name HD1* 
      ))
     (( resid  125 and name HG 
      ))
           3.1 1.20 1.20
! peak number c 3605  F1=  8.320  F2=  0.354   null   null  d=  4.5
assi (( resid  125 and name HD1* 
      ))
     (( resid  125 and name HN 
      ))
           4.5 2.53 2.53
! peak number c 3606  F1=  8.033  F2=  0.354   null   null  d=  4.4
assi (( resid  125 and name HD1* 
      ))
     (( resid  126 and name HN 
      ))
           4.4 2.42 2.42
! peak number c 3607  F1=  7.233  F2=  0.355   null   null  d=  3.2
assi (( resid  125 and name HD1* 
      ))
     (( resid  24 and name HZ 
      ))
           3.2 1.28 1.28
! peak number c 3608  F1=  6.846  F2=  0.353   null   null  d=  5.0
assi (( resid  125 and name HD1* 
      ))
     (( resid  38 and name HD* 
      ))
           5 3.12 3.12
! peak number c 3609  F1=  6.608  F2=  0.353   null   null  d=  3.9
assi (( resid  125 and name HD1* 
      ))
     (( resid  38 and name HE* 
      ))
           3.9 1.90 1.90
! peak number c 3611  F1=  3.795  F2=  0.349   null   null  d=  3.9
assi (( resid  125 and name HD1* 
      ))
     (( resid  52 and name HA1 
      ))
           3.9 1.90 1.90
! peak number c 3612  F1=  1.865  F2=  0.353   null   null  d=  3.7
assi (( resid  125 and name HD1* 
      ))
     (( resid  58 and name HB1) or ( resid 15 and name HB 
      ))
           3.7 1.71 1.71
! peak number c 3616  F1=  8.323  F2=  0.263   null   null  d=  4.2
assi (( resid  125 and name HD2* 
      ))
     (( resid  125 and name HN 
      ))
           4.2 2.21 2.21
! peak number c 3617  F1=  8.062  F2=  0.265   null   null  d=  5.7 dist trop loin
! peak number c 3618  F1=  7.214  F2=  0.260   null   null  d=  3.4
assi (( resid  125 and name HD2* 
      ))
     (( resid  24 and name HZ 
      ))
           3.4 1.44 1.44
! peak number c 3620  F1=  6.861  F2=  0.251   null   null  d=  5.2
assi (( resid  125 and name HD2* 
      ))
     (( resid  38 and name HD* 
      ))
           5.2 3.38 3.38
! peak number c 3619  F1=  6.603  F2=  0.258   null   null  d=  4.6
assi (( resid  125 and name HD2* 
      ))
     (( resid  38 and name HE* 
      ))
           4.59 2.64 2.64
! peak number c 3624  F1=  3.793  F2=  0.260   null   null  d=  4.9
assi (( resid  125 and name HD2* 
      ))
     (( resid  52 and name HA1 
      ))
           4.9 3.00 3.00
! peak number c 3621  F1=  7.522  F2=  0.265   null   null  d=  5.3
assi (( resid  125 and name HD2* 
      ))
     (( resid  55 and name HN 
      ))
           5.3 3.51 3.51
! peak number c 3623  F1=  4.419  F2=  0.277   null   null  d=  4.1
assi (( resid  125 and name HD2* 
      ))
     (( resid  57 and name HA) or ( resid 55 and name HA 
      ))
           4.09 2.10 2.10
! peak number c 2687  F1=  0.255  F2=  0.773   null   null  d=  3.3
assi (( resid  125 and name HD2* 
      ))
     (( resid  57 and name HD2* 
      ))
           3.3 1.36 1.36
! peak number c 3628  F1=  0.640  F2=  0.262   null   null  d=  2.4
assi (( resid  125 and name HD2* 
      ))
     (( resid  61 and name HD1* 
      ))
           2.4 0.72 0.72
! peak number c 2744  F1=  0.257  F2=  0.791   null   null  d=  3.4
assi (( resid  125 and name HD2* 
      ))
     (( resid  61 and name HG2* 
      ))
           3.4 1.44 1.44
! peak number c 3603  F1=  8.322  F2=  1.233   null   null  d=  4.3
assi (( resid  125 and name HG 
      ))
     (( resid  125 and name HN 
      ))
           4.3 2.37 2.37
! peak number c 3036  F1=  1.228  F2=  1.896   null   null  d=  3.3
assi (( resid  125 and name HG) or ( resid 101 and name HB1 
      ))
     (( resid  96 and name HB2) or ( resid 15 and name HB 
      ))
           3.3 1.36 1.36
! peak number n 244  F1=  8.056  F2=  8.337   null   null  d=  3.6
assi (( resid  125 and name HN 
      ))
     (( resid  126 and name HN 
      ))
           3.6 0.90 0.90
! peak number n 248  F1=  0.584  F2=  8.341   null   null  d=  3.6
assi (( resid  125 and name HN 
      ))
     (( resid  56 and name HD1* 
      ))
           3.6 1.62 1.62
! peak number c 3884  F1=  8.327  F2=  0.764   null   null  d=  4.8
assi (( resid  125 and name HN 
      ))
     (( resid  57 and name HD2* 
      ))
           4.8 2.88 2.88
! peak number c 3629  F1=  3.884  F2=  4.139   null   null  d=  3.0
assi (( resid  126 and name HA1 
      ))
     (( resid  126 and name HA2 
      ))
           3 0.76 0.76
! peak number c 3632  F1=  8.039  F2=  3.902   null   null  d=  3.1
assi (( resid  126 and name HA1 
      ))
     (( resid  126 and name HN 
      ))
           3.1 0.79 0.79
! peak number c 3646  F1=  3.903  F2=  3.599   null   null  d=  3.0
assi (( resid  126 and name HA1 
      ))
     (( resid  127 and name HD* 
      ))
           3 1.12 1.12
! peak number c 3631  F1=  8.042  F2=  4.140   null   null  d=  3.3
assi (( resid  126 and name HA2 
      ))
     (( resid  126 and name HN 
      ))
           3.3 0.82 0.82
! peak number c 3647  F1=  4.147  F2=  3.598   null   null  d=  2.9
assi (( resid  126 and name HA2 
      ))
     (( resid  127 and name HD* 
      ))
           2.9 1.05 1.05
! peak number c 508  F1=  1.952  F2=  4.158   null   null  d=  5.6 dist trop loin
! peak number n 910  F1=  4.184  F2=  8.260   null   null  d=  2.8
assi (( resid  126 and name HA2 
      ))
     (( resid  128 and name HN 
      ))
           2.8 0.70 0.70
! peak number n 305  F1=  4.193  F2=  8.054   null   null  d=  2.6
assi (( resid  126 and name HA2) or ( resid 125 and name HA 
      ))
     (( resid  126 and name HN 
      ))
           2.6 0.85 0.85
! peak number c 3648  F1=  8.037  F2=  3.597   null   null  d=  3.8
assi (( resid  126 and name HN 
      ))
     (( resid  127 and name HD* 
      ))
           3.8 1.80 1.80
! peak number n 306  F1=  4.321  F2=  8.052   null   null  d=  3.9
assi (( resid  126 and name HN 
      ))
     (( resid  53 and name HA 
      ))
           3.9 0.97 0.97
! peak number c 3635  F1=  4.457  F2=  1.812   null   null  d=  3.1
assi (( resid  127 and name HA 
      ))
     (( resid  127 and name HB1 
      ))
           3.1 1.20 1.20
! peak number c 3634  F1=  4.453  F2=  2.216   null   null  d=  3.0
assi (( resid  127 and name HA 
      ))
     (( resid  127 and name HB2 
      ))
           3 1.12 1.12
! peak number c 511  F1=  1.952  F2=  4.462   null   null  d=  3.1
assi (( resid  127 and name HA 
      ))
     (( resid  127 and name HG* 
      ))
           3.1 1.20 1.20
! peak number c 3638  F1=  2.223  F2=  1.805   null   null  d=  2.5
assi (( resid  127 and name HB1 
      ))
     (( resid  127 and name HB2 
      ))
           2.5 0.81 0.81
! peak number c 3637  F1=  3.601  F2=  1.809   null   null  d=  3.6
assi (( resid  127 and name HB1 
      ))
     (( resid  127 and name HD* 
      ))
           3.6 1.62 1.62
! peak number c 3642  F1=  8.291  F2=  1.812   null   null  d=  4.9
assi (( resid  127 and name HB1 
      ))
     (( resid  128 and name HN 
      ))
           4.9 3.00 3.00
! peak number c 3633  F1=  3.602  F2=  2.218   null   null  d=  3.5
assi (( resid  127 and name HB2 
      ))
     (( resid  127 and name HD* 
      ))
           3.5 1.53 1.53
! peak number c 3875  F1=  1.972  F2=  2.215   null   null  d=  2.7
assi (( resid  127 and name HB2 
      ))
     (( resid  127 and name HG* 
      ))
           2.7 0.91 0.91
! peak number c 3641  F1=  8.299  F2=  2.214   null   null  d=  4.4
assi (( resid  127 and name HB2 
      ))
     (( resid  128 and name HN 
      ))
           4.4 2.42 2.42
! peak number c 3644  F1=  1.971  F2=  3.602   null   null  d=  2.8
assi (( resid  127 and name HD* 
      ))
     (( resid  127 and name HG* 
      ))
           2.8 0.98 0.98
! peak number c 2346  F1=  1.969  F2=  3.870   null   null  d=  3.7
assi (( resid  127 and name HG* 
      ))
     (( resid  35 and name HA 
      ))
           3.7 1.71 1.71
! peak number c 3520  F1=  3.679  F2=  1.936   null   null  d=  3.2
assi (( resid  127 and name HG* 
      ))
     (( resid  36 and name HA1 
      ))
           3.2 1.28 1.28
! peak number n 435  F1=  1.969  F2=  7.962   null   null  d=  3.1
assi (( resid  127 and name HG* 
      ))
     (( resid  53 and name HN 
      ))
           3.1 1.20 1.20
! peak number c 3655  F1=  4.526  F2=  2.998   null   null  d=  3.4
assi (( resid  128 and name HA 
      ))
     (( resid  128 and name HB1 
      ))
           3.4 1.44 1.44
! peak number c 3654  F1=  4.516  F2=  3.058   null   null  d=  3.4
assi (( resid  128 and name HA 
      ))
     (( resid  128 and name HB2 
      ))
           3.4 1.44 1.44
! peak number c 513  F1=  3.027  F2=  4.531   null   null  d=  2.8
assi (( resid  128 and name HA 
      ))
     (( resid  128 and name HB* 
      ))
           2.8 0.98 0.98
! peak number c 1045  F1=  4.534  F2=  7.126   null   null  d=  3.6
assi (( resid  128 and name HA 
      ))
     (( resid  128 and name HD* 
      ))
           3.6 1.62 1.62
! peak number c 1048  F1=  4.528  F2=  6.826   null   null  d=  5.1
assi (( resid  128 and name HA 
      ))
     (( resid  128 and name HE* 
      ))
           5.09 3.25 3.25
! peak number n 215  F1=  4.552  F2=  8.072   null   null  d=  2.8
assi (( resid  128 and name HA 
      ))
     (( resid  129 and name HN 
      ))
           2.8 0.70 0.70
! peak number c 3653  F1=  7.120  F2=  3.007   null   null  d=  3.3
assi (( resid  128 and name HB1 
      ))
     (( resid  128 and name HD* 
      ))
           3.3 1.36 1.36
! peak number c 3651  F1=  8.296  F2=  3.002   null   null  d=  3.9
assi (( resid  128 and name HB1 
      ))
     (( resid  128 and name HN 
      ))
           3.9 1.90 1.90
! peak number n 218  F1=  3.030  F2=  8.069   null   null  d=  3.6
assi (( resid  128 and name HB1 
      ))
     (( resid  129 and name HN 
      ))
           3.6 1.62 1.62
! peak number c 3857  F1=  4.706  F2=  3.014   null   null  d=  4.4
assi (( resid  128 and name HB1 
      ))
     (( resid  51 and name HA 
      ))
           4.4 2.42 2.42
! peak number c 2623  F1=  3.018  F2=  1.011   null   null  d=  3.3
assi (( resid  128 and name HB1 
      ))
     (( resid  51 and name HD2* 
      ))
           3.3 1.36 1.36
! peak number c 3652  F1=  7.122  F2=  3.060   null   null  d=  3.5
assi (( resid  128 and name HB2 
      ))
     (( resid  128 and name HD* 
      ))
           3.5 1.53 1.53
! peak number c 3650  F1=  8.300  F2=  3.051   null   null  d=  4.1
assi (( resid  128 and name HB2 
      ))
     (( resid  128 and name HN 
      ))
           4.09 2.10 2.10
! peak number c 3879  F1=  3.044  F2=  2.139   null   null  d=  4.6
assi (( resid  128 and name HB2 
      ))
     (( resid  129 and name HG* 
      ))
           4.59 2.64 2.64
! peak number n 222  F1=  3.105  F2=  8.073   null   null  d=  4.4
assi (( resid  128 and name HB2 
      ))
     (( resid  129 and name HN 
      ))
           4.4 2.42 2.42
! peak number c 1243  F1=  6.816  F2=  7.127   null   null  d=  2.4
assi (( resid  128 and name HD* 
      ))
     (( resid  128 and name HE* 
      ))
           2.4 0.72 0.72
! peak number c 1046  F1=  8.302  F2=  7.126   null   null  d=  3.8
assi (( resid  128 and name HD* 
      ))
     (( resid  128 and name HN 
      ))
           3.8 1.80 1.80
! peak number c 1244  F1=  4.208  F2=  7.125   null   null  d=  5.0
assi (( resid  128 and name HD* 
      ))
     (( resid  129 and name HA 
      ))
           5 3.12 3.12
! peak number c 1242  F1=  8.068  F2=  7.124   null   null  d=  4.6
assi (( resid  128 and name HD* 
      ))
     (( resid  129 and name HN 
      ))
           4.59 2.64 2.64
! peak number c 1246  F1=  4.223  F2=  6.826   null   null  d=  4.3
assi (( resid  128 and name HE* 
      ))
     (( resid  129 and name HA 
      ))
           4.3 2.31 2.31
! peak number n 920  F1=  1.901  F2=  8.294   null   null  d=  3.5
assi (( resid  128 and name HN 
      ))
     (( resid  53 and name HB2 
      ))
           3.5 1.53 1.53
! peak number c 518  F1=  1.831  F2=  4.224   null   null  d=  3.1
assi (( resid  129 and name HA 
      ))
     (( resid  129 and name HB1 
      ))
           3.1 1.20 1.20
! peak number c 517  F1=  1.934  F2=  4.224   null   null  d=  3.1
assi (( resid  129 and name HA 
      ))
     (( resid  129 and name HB2 
      ))
           3.1 1.20 1.20
! peak number c 3661  F1=  4.217  F2=  2.156   null   null  d=  3.2
assi (( resid  129 and name HA 
      ))
     (( resid  129 and name HG* 
      ))
           3.2 1.24 1.24
! peak number n 214  F1=  4.252  F2=  8.072   null   null  d=  3.9
assi (( resid  129 and name HA 
      ))
     (( resid  129 and name HN 
      ))
           3.9 0.97 0.97
! peak number c 3513  F1=  4.204  F2=  1.910   null   null  d=  3.2
assi (( resid  129 and name HA) or ( resid 118 and name HA 
      ))
     (( resid  129 and name HB2) or ( resid 118 and name HB1 
      ))
           3.2 1.28 1.28
! peak number c 3659  F1=  4.213  F2=  1.942   null   null  d=  3.4
assi (( resid  129 and name HA) or ( resid 118 and name HA 
      ))
     (( resid  129 and name HB2) or ( resid 118 and name HB2 
      ))
           3.4 1.44 1.44
! peak number c 3660  F1=  2.157  F2=  1.840   null   null  d=  2.6
assi (( resid  129 and name HB1 
      ))
     (( resid  129 and name HG* 
      ))
           2.6 0.85 0.85
! peak number c 3657  F1=  8.065  F2=  1.833   null   null  d=  3.5
assi (( resid  129 and name HB1 
      ))
     (( resid  129 and name HN 
      ))
           3.5 1.58 1.58
! peak number c 3656  F1=  8.056  F2=  1.943   null   null  d=  3.7
assi (( resid  129 and name HB2 
      ))
     (( resid  129 and name HN 
      ))
           3.7 1.71 1.71
! peak number c 3662  F1=  8.058  F2=  2.156   null   null  d=  3.9
assi (( resid  129 and name HG* 
      ))
     (( resid  129 and name HN 
      ))
           3.9 1.85 1.85
! peak number c 2045  F1=  4.256  F2=  1.462   null   null  d=  3.8
assi (( resid  12 and name HA 
      ))
     (( resid  12 and name HB1 
      ))
           3.8 1.80 1.80
! peak number c 3899  F1=  4.259  F2=  1.723   null   null  d=  3.4
assi (( resid  12 and name HA 
      ))
     (( resid  12 and name HB2 
      ))
           3.4 1.44 1.44
! peak number c 47  F1=  1.473  F2=  4.266   null   null  d=  3.7
assi (( resid  12 and name HA 
      ))
     (( resid  12 and name HG) or ( resid 12 and name HB1 
      ))
           3.7 1.71 1.71
! peak number n 855  F1=  4.294  F2=  7.599   null   null  d=  3.0
assi (( resid  12 and name HA 
      ))
     (( resid  12 and name HN 
      ))
           3 0.75 0.75
! peak number c 43  F1=  0.685  F2=  4.256   null   null  d=  4.5
assi (( resid  12 and name HA 
      ))
     (( resid  14 and name HG2* 
      ))
           4.5 2.53 2.53
! peak number c 2047  F1=  1.444  F2=  1.726   null   null  d=  2.8
assi (( resid  12 and name HB1 
      ))
     (( resid  12 and name HB2 
      ))
           2.8 0.98 0.98
! peak number c 2041  F1=  7.581  F2=  1.468   null   null  d=  3.3
assi (( resid  12 and name HB1 
      ))
     (( resid  12 and name HN 
      ))
           3.3 1.36 1.36
! peak number c 2042  F1=  8.281  F2=  1.474   null   null  d=  4.0
assi (( resid  12 and name HB1 
      ))
     (( resid  13 and name HN 
      ))
           4 2.00 2.00
! peak number c 2068  F1=  1.725  F2=  0.542   null   null  d=  2.8
assi (( resid  12 and name HB2 
      ))
     (( resid  12 and name HD1* 
      ))
           2.8 0.98 0.98
! peak number c 2073  F1=  1.750  F2=  0.129   null   null  d=  3.0
assi (( resid  12 and name HB2 
      ))
     (( resid  12 and name HD2* 
      ))
           3 1.12 1.12
! peak number c 2040  F1=  7.578  F2=  1.720   null   null  d=  3.2
assi (( resid  12 and name HB2 
      ))
     (( resid  12 and name HN 
      ))
           3.2 1.28 1.28
! peak number n 96  F1=  1.769  F2=  9.366   null   null  d=  3.8
assi (( resid  12 and name HB2 
      ))
     (( resid  57 and name HN 
      ))
           3.8 1.80 1.80
! peak number c 3382  F1=  4.658  F2=  1.720   null   null  d=  4.1
assi (( resid  12 and name HB2 
      ))
     (( resid  9 and name HA 
      ))
           4.09 2.10 2.10
! peak number c 2070  F1=  0.132  F2=  0.545   null   null  d=  2.5
assi (( resid  12 and name HD1* 
      ))
     (( resid  12 and name HD2* 
      ))
           2.5 0.81 0.81
! peak number c 2053  F1=  0.518  F2=  1.466   null   null  d=  3.3
assi (( resid  12 and name HD1* 
      ))
     (( resid  12 and name HG 
      ))
           3.3 1.36 1.36
! peak number n 850  F1=  0.554  F2=  7.601   null   null  d=  3.5
assi (( resid  12 and name HD1* 
      ))
     (( resid  12 and name HN 
      ))
           3.5 1.53 1.53
! peak number n 1179  F1=  0.565  F2=  8.247   null   null  d=  4.1
assi (( resid  12 and name HD1* 
      ))
     (( resid  29 and name HN 
      ))
           4.09 2.10 2.10
! peak number c 2060  F1=  9.373  F2=  0.543   null   null  d=  3.5
assi (( resid  12 and name HD1* 
      ))
     (( resid  57 and name HN 
      ))
           3.5 1.53 1.53
! peak number c 3705  F1=  8.114  F2=  0.540   null   null  d=  4.7
assi (( resid  12 and name HD1* 
      ))
     (( resid  8 and name HN) or ( resid 59 and name HN 
      ))
           4.7 2.76 2.76
! peak number c 2016  F1=  0.555  F2=  2.677   null   null  d=  3.8
assi (( resid  12 and name HD1* 
      ))
     (( resid  9 and name HB1 
      ))
           3.8 1.80 1.80
! peak number c 2023  F1=  0.531  F2=  3.200   null   null  d=  3.6
assi (( resid  12 and name HD1* 
      ))
     (( resid  9 and name HB2 
      ))
           3.6 1.62 1.62
! peak number c 2062  F1=  7.280  F2=  0.543   null   null  d=  2.9
assi (( resid  12 and name HD1* 
      ))
     (( resid  9 and name HE* 
      ))
           2.9 1.05 1.05
! peak number c 2052  F1=  0.140  F2=  1.467   null   null  d=  3.0
assi (( resid  12 and name HD2* 
      ))
     (( resid  12 and name HG 
      ))
           3 1.16 1.16
! peak number c 2075  F1=  0.803  F2=  0.132   null   null  d=  2.9
assi (( resid  12 and name HD2* 
      ))
     (( resid  57 and name HD2* 
      ))
           2.9 1.05 1.05
! peak number c 3688  F1=  2.847  F2=  0.135   null   null  d=  4.2
assi (( resid  12 and name HD2* 
      ))
     (( resid  86 and name HE*) or ( resid 59 and name HB2 
      ))
           4.2 2.21 2.21
! peak number c 2077  F1=  3.222  F2=  0.135   null   null  d=  3.7
assi (( resid  12 and name HD2* 
      ))
     (( resid  9 and name HB2 
      ))
           3.7 1.71 1.71
! peak number c 2079  F1=  7.264  F2=  0.132   null   null  d=  3.1
assi (( resid  12 and name HD2* 
      ))
     (( resid  9 and name HE* 
      ))
           3.1 1.20 1.20
! peak number c 2059  F1=  4.007  F2=  1.478   null   null  d=  4.3
assi (( resid  12 and name HG 
      ))
     (( resid  124 and name HA1 
      ))
           4.3 2.31 2.31
! peak number n 851  F1=  0.691  F2=  7.601   null   null  d=  3.9
assi (( resid  12 and name HN 
      ))
     (( resid  14 and name HG2* 
      ))
           3.9 1.90 1.90
! peak number n 859  F1=  8.268  F2=  7.601   null   null  d=  3.6
assi (( resid  12 and name HN 
      ))
     (( resid  29 and name HN 
      ))
           3.6 0.90 0.90
! peak number n 857  F1=  4.646  F2=  7.596   null   null  d=  3.7
assi (( resid  12 and name HN 
      ))
     (( resid  9 and name HA 
      ))
           3.7 0.93 0.93
! peak number c 527  F1=  1.868  F2=  4.720   null   null  d=  4.0
assi (( resid  13 and name HA 
      ))
     (( resid  13 and name HB2 
      ))
           4 2.00 2.00
! peak number c 2100  F1=  4.718  F2=  0.690   null   null  d=  2.7
assi (( resid  13 and name HA 
      ))
     (( resid  14 and name HG2* 
      ))
           2.7 0.91 0.91
! peak number c 102  F1=  4.721  F2=  5.294   null   null  d=  3.7
assi (( resid  13 and name HA 
      ))
     (( resid  28 and name HA 
      ))
           3.7 0.93 0.93
! peak number c 526  F1=  1.522  F2=  4.721   null   null  d=  4.0
assi (( resid  13 and name HA 
      ))
     (( resid  28 and name HB1 
      ))
           4 2.00 2.00
! peak number n 919  F1=  1.758  F2=  8.292   null   null  d=  3.0
assi (( resid  13 and name HB1 
      ))
     (( resid  13 and name HN 
      ))
           3 1.12 1.12
! peak number n 955  F1=  1.857  F2=  8.321   null   null  d=  3.7
assi (( resid  13 and name HB2 
      ))
     (( resid  13 and name HN 
      ))
           3.7 1.71 1.71
! peak number c 107  F1=  1.868  F2=  5.294   null   null  d=  4.7
assi (( resid  13 and name HB2 
      ))
     (( resid  28 and name HA 
      ))
           4.7 2.76 2.76
! peak number c 3827  F1=  1.904  F2=  1.495   null   null  d=  4.9
assi (( resid  13 and name HB2 
      ))
     (( resid  28 and name HB1 
      ))
           4.9 3.00 3.00
! peak number n 950  F1=  4.473  F2=  8.324   null   null  d=  2.9
assi (( resid  13 and name HN 
      ))
     (( resid  57 and name HA 
      ))
           2.9 0.72 0.72
! peak number n 957  F1=  7.132  F2=  8.319   null   null  d=  3.8
assi (( resid  13 and name HN 
      ))
     (( resid  9 and name HD* 
      ))
           3.8 1.80 1.80
! peak number c 2085  F1=  4.943  F2=  2.290   null   null  d=  3.4
assi (( resid  14 and name HA 
      ))
     (( resid  14 and name HB 
      ))
           3.4 1.44 1.44
! peak number c 2093  F1=  4.952  F2=  0.363   null   null  d=  3.6
assi (( resid  14 and name HA 
      ))
     (( resid  14 and name HG1* 
      ))
           3.6 1.62 1.62
! peak number c 2101  F1=  4.969  F2=  0.676   null   null  d=  2.8
assi (( resid  14 and name HA 
      ))
     (( resid  14 and name HG2* 
      ))
           2.8 1.02 1.02
! peak number n 364  F1=  4.989  F2=  8.326   null   null  d=  3.4
assi (( resid  14 and name HA 
      ))
     (( resid  14 and name HN 
      ))
           3.4 0.85 0.85
! peak number c 2122  F1=  4.948  F2=  0.808   null   null  d=  3.1
assi (( resid  14 and name HA 
      ))
     (( resid  15 and name HG1* 
      ))
           3.1 1.20 1.20
! peak number n 427  F1=  4.973  F2=  8.607   null   null  d=  2.9
assi (( resid  14 and name HA 
      ))
     (( resid  15 and name HN 
      ))
           2.9 0.72 0.72
! peak number c 235  F1=  4.948  F2=  4.433   null   null  d=  4.0
assi (( resid  14 and name HA 
      ))
     (( resid  57 and name HA 
      ))
           4 1.00 1.00
! peak number n 673  F1=  4.967  F2=  7.406   null   null  d=  3.1
assi (( resid  14 and name HA 
      ))
     (( resid  58 and name HN 
      ))
           3.1 0.78 0.78
! peak number c 2083  F1=  0.375  F2=  2.291   null   null  d=  3.4
assi (( resid  14 and name HB 
      ))
     (( resid  14 and name HG1* 
      ))
           3.4 1.40 1.40
! peak number c 2084  F1=  0.661  F2=  2.289   null   null  d=  3.0
assi (( resid  14 and name HB 
      ))
     (( resid  14 and name HG2* 
      ))
           3 1.09 1.09
! peak number c 2086  F1=  8.587  F2=  2.275   null   null  d=  3.0
assi (( resid  14 and name HB 
      ))
     (( resid  15 and name HN 
      ))
           3 1.16 1.16
! peak number n 675  F1=  2.313  F2=  7.413   null   null  d=  3.8
assi (( resid  14 and name HB 
      ))
     (( resid  58 and name HN 
      ))
           3.8 1.80 1.80
! peak number c 2087  F1=  0.667  F2=  0.363   null   null  d=  2.4
assi (( resid  14 and name HG1* 
      ))
     (( resid  14 and name HG2* 
      ))
           2.4 0.72 0.72
! peak number c 2095  F1=  8.300  F2=  0.364   null   null  d=  3.0
assi (( resid  14 and name HG1* 
      ))
     (( resid  14 and name HN 
      ))
           3 1.12 1.12
! peak number c 54  F1=  0.389  F2=  5.200   null   null  d=  4.9
assi (( resid  14 and name HG1* 
      ))
     (( resid  15 and name HA 
      ))
           4.9 3.00 3.00
! peak number c 2096  F1=  8.583  F2=  0.364   null   null  d=  3.3
assi (( resid  14 and name HG1* 
      ))
     (( resid  15 and name HN 
      ))
           3.3 1.40 1.40
! peak number c 94  F1=  0.394  F2=  4.468   null   null  d=  4.6
assi (( resid  14 and name HG1* 
      ))
     (( resid  27 and name HA1 
      ))
           4.59 2.64 2.64
! peak number n 375  F1=  0.399  F2=  8.550   null   null  d=  3.5
assi (( resid  14 and name HG1* 
      ))
     (( resid  27 and name HN 
      ))
           3.5 1.53 1.53
! peak number c 2094  F1=  5.270  F2=  0.360   null   null  d=  3.6
assi (( resid  14 and name HG1* 
      ))
     (( resid  28 and name HA 
      ))
           3.6 1.62 1.62
! peak number c 2088  F1=  1.503  F2=  0.365   null   null  d=  4.0
assi (( resid  14 and name HG1* 
      ))
     (( resid  28 and name HB1 
      ))
           4 1.95 1.95
! peak number c 3817  F1=  0.373  F2=  1.436   null   null  d=  4.5
assi (( resid  14 and name HG1* 
      ))
     (( resid  28 and name HB2 
      ))
           4.5 2.53 2.53
! peak number n 772  F1=  0.410  F2=  8.226   null   null  d=  3.3
assi (( resid  14 and name HG1* 
      ))
     (( resid  28 and name HN 
      ))
           3.3 1.36 1.36
! peak number n 1180  F1=  0.407  F2=  8.249   null   null  d=  3.6
assi (( resid  14 and name HG1* 
      ))
     (( resid  29 and name HN 
      ))
           3.6 1.62 1.62
! peak number c 2091  F1=  4.441  F2=  0.354   null   null  d=  3.8
assi (( resid  14 and name HG1* 
      ))
     (( resid  55 and name HA 
      ))
           3.8 1.80 1.80
! peak number c 3695  F1=  1.864  F2=  0.365   null   null  d=  3.9
assi (( resid  14 and name HG1* 
      ))
     (( resid  55 and name HB 
      ))
           3.9 1.90 1.90
! peak number c 2097  F1=  9.147  F2=  0.365   null   null  d=  4.4
assi (( resid  14 and name HG1* 
      ))
     (( resid  56 and name HN 
      ))
           4.4 2.42 2.42
! peak number c 2090  F1=  1.615  F2=  0.365   null   null  d=  3.8
assi (( resid  14 and name HG1* 
      ))
     (( resid  57 and name HB2) or ( resid 41 and name HB2 
      ))
           3.8 1.80 1.80
! peak number c 2098  F1=  8.298  F2=  0.667   null   null  d=  3.2
assi (( resid  14 and name HG2* 
      ))
     (( resid  14 and name HN 
      ))
           3.2 1.24 1.24
! peak number c 3726  F1=  8.583  F2=  0.659   null   null  d=  3.0
assi (( resid  14 and name HG2* 
      ))
     (( resid  15 and name HN 
      ))
           3 1.16 1.16
! peak number c 2105  F1=  1.533  F2=  0.669   null   null  d=  4.0
assi (( resid  14 and name HG2* 
      ))
     (( resid  28 and name HB1 
      ))
           4 2.00 2.00
! peak number n 1178  F1=  0.690  F2=  8.247   null   null  d=  3.1
assi (( resid  14 and name HG2* 
      ))
     (( resid  29 and name HN 
      ))
           3.1 1.20 1.20
! peak number c 232  F1=  0.678  F2=  4.429   null   null  d=  2.9
assi (( resid  14 and name HG2* 
      ))
     (( resid  57 and name HA 
      ))
           2.9 1.05 1.05
! peak number c 2099  F1=  4.417  F2=  0.677   null   null  d=  2.8
assi (( resid  14 and name HG2* 
      ))
     (( resid  57 and name HA) or ( resid 29 and name HA 
      ))
           2.8 0.98 0.98
! peak number n 92  F1=  0.708  F2=  9.368   null   null  d=  3.3
assi (( resid  14 and name HG2* 
      ))
     (( resid  57 and name HN 
      ))
           3.3 1.36 1.36
! peak number n 677  F1=  0.702  F2=  7.407   null   null  d=  2.8
assi (( resid  14 and name HG2* 
      ))
     (( resid  58 and name HN 
      ))
           2.8 0.98 0.98
! peak number n 365  F1=  5.306  F2=  8.323   null   null  d=  3.0
assi (( resid  14 and name HN 
      ))
     (( resid  28 and name HA 
      ))
           3 0.75 0.75
! peak number n 361  F1=  1.556  F2=  8.322   null   null  d=  3.6
assi (( resid  14 and name HN 
      ))
     (( resid  28 and name HB1 
      ))
           3.6 1.62 1.62
! peak number n 362  F1=  1.908  F2=  8.324   null   null  d=  3.6
assi (( resid  14 and name HN 
      ))
     (( resid  58 and name HB1 
      ))
           3.6 1.62 1.62
! peak number c 2110  F1=  5.190  F2=  1.870   null   null  d=  3.8
assi (( resid  15 and name HA 
      ))
     (( resid  15 and name HB 
      ))
           3.8 1.80 1.80
! peak number c 2121  F1=  5.199  F2=  0.809   null   null  d=  3.3
assi (( resid  15 and name HA 
      ))
     (( resid  15 and name HG2* 
      ))
           3.3 1.36 1.36
! peak number n 429  F1=  5.207  F2=  8.600   null   null  d=  4.1
assi (( resid  15 and name HA 
      ))
     (( resid  15 and name HN 
      ))
           4.09 1.02 1.02
! peak number n 139  F1=  5.225  F2=  9.946   null   null  d=  2.8
assi (( resid  15 and name HA 
      ))
     (( resid  16 and name HN 
      ))
           2.8 0.70 0.70
! peak number c 57  F1=  4.960  F2=  5.198   null   null  d=  3.9
assi (( resid  15 and name HA 
      ))
     (( resid  26 and name HA 
      ))
           3.9 0.96 0.96
! peak number n 372  F1=  5.220  F2=  8.551   null   null  d=  3.6
assi (( resid  15 and name HA 
      ))
     (( resid  27 and name HN 
      ))
           3.6 0.90 0.90
! peak number c 2114  F1=  0.829  F2=  1.865   null   null  d=  2.7
assi (( resid  15 and name HB 
      ))
     (( resid  15 and name HG2*) or ( resid 15 and name HG1* 
      ))
           2.7 0.88 0.88
! peak number c 2108  F1=  8.589  F2=  1.864   null   null  d=  4.1
assi (( resid  15 and name HB 
      ))
     (( resid  15 and name HN 
      ))
           4.09 2.10 2.10
! peak number c 2107  F1=  9.931  F2=  1.864   null   null  d=  3.7
assi (( resid  15 and name HB 
      ))
     (( resid  16 and name HN 
      ))
           3.7 1.71 1.71
! peak number c 2109  F1=  7.109  F2=  1.862   null   null  d=  4.7
assi (( resid  15 and name HB 
      ))
     (( resid  24 and name HD* 
      ))
           4.7 2.76 2.76
! peak number c 2111  F1=  4.793  F2=  1.869   null   null  d=  4.0
assi (( resid  15 and name HB 
      ))
     (( resid  56 and name HA) or ( resid 17 and name HA 
      ))
           4 2.00 2.00
! peak number c 3949  F1=  0.567  F2=  1.866   null   null  d=  4.5
assi (( resid  15 and name HB 
      ))
     (( resid  56 and name HD1*) or ( resid 12 and name HD1* 
      ))
           4.5 2.53 2.53
! peak number c 3948  F1=  0.141  F2=  1.869   null   null  d=  4.6
assi (( resid  15 and name HB 
      ))
     (( resid  56 and name HD2* 
      ))
           4.59 2.64 2.64
! peak number c 2118  F1=  8.585  F2=  0.805   null   null  d=  3.2
assi (( resid  15 and name HG1* 
      ))
     (( resid  15 and name HN 
      ))
           3.2 1.32 1.32
! peak number c 3950  F1=  0.145  F2=  0.807   null   null  d=  3.1
assi (( resid  15 and name HG1* 
      ))
     (( resid  56 and name HD2* 
      ))
           3.1 1.20 1.20
! peak number c 2696  F1=  0.812  F2=  2.186   null   null  d=  3.5
assi (( resid  15 and name HG1* 
      ))
     (( resid  58 and name HB2 
      ))
           3.5 1.53 1.53
! peak number c 2119  F1=  7.384  F2=  0.802   null   null  d=  3.7
assi (( resid  15 and name HG1* 
      ))
     (( resid  58 and name HN 
      ))
           3.7 1.71 1.71
! peak number c 2664  F1=  0.831  F2=  0.983   null   null  d=  4.0
assi (( resid  15 and name HG1*) or ( resid 119 and name HD2* 
      ))
     (( resid  56 and name HB1 
      ))
           4 2.00 2.00
! peak number c 2663  F1=  0.814  F2=  1.947   null   null  d=  4.2
assi (( resid  15 and name HG1*) or ( resid 119 and name HD2* 
      ))
     (( resid  56 and name HB2 
      ))
           4.2 2.21 2.21
! peak number n 134  F1=  0.865  F2=  9.947   null   null  d=  3.1
assi (( resid  15 and name HG2* 
      ))
     (( resid  16 and name HN 
      ))
           3.1 1.20 1.20
! peak number c 204  F1=  0.837  F2=  4.606   null   null  d=  4.7
assi (( resid  15 and name HG2* 
      ))
     (( resid  24 and name HA 
      ))
           4.7 2.76 2.76
! peak number c 3743  F1=  2.523  F2=  0.802   null   null  d=  3.5
assi (( resid  15 and name HG2* 
      ))
     (( resid  24 and name HB1 
      ))
           3.5 1.53 1.53
! peak number c 2117  F1=  9.150  F2=  0.808   null   null  d=  3.6
assi (( resid  15 and name HG2* 
      ))
     (( resid  25 and name HN 
      ))
           3.6 1.62 1.62
! peak number c 92  F1=  0.843  F2=  4.979   null   null  d=  3.4
assi (( resid  15 and name HG2* 
      ))
     (( resid  26 and name HA 
      ))
           3.4 1.44 1.44
! peak number c 263  F1=  0.844  F2=  4.147   null   null  d=  3.9
assi (( resid  15 and name HG2* 
      ))
     (( resid  26 and name HB1 
      ))
           3.9 1.90 1.90
! peak number n 479  F1=  0.861  F2=  9.602   null   null  d=  3.6
assi (( resid  15 and name HG2* 
      ))
     (( resid  26 and name HN 
      ))
           3.6 1.62 1.62
! peak number n 374  F1=  0.874  F2=  8.553   null   null  d=  3.3
assi (( resid  15 and name HG2* 
      ))
     (( resid  27 and name HN 
      ))
           3.3 1.36 1.36
! peak number c 2120  F1=  7.091  F2=  0.808   null   null  d=  3.8
assi (( resid  15 and name HG2*) or ( resid 15 and name HG1* 
      ))
     (( resid  24 and name HD* 
      ))
           3.8 1.80 1.80
! peak number c 2652  F1=  8.597  F2=  0.649   null   null  d=  4.2
assi (( resid  15 and name HN 
      ))
     (( resid  55 and name HD1* 
      ))
           4.2 2.21 2.21
! peak number n 681  F1=  8.619  F2=  7.414   null   null  d=  3.7
assi (( resid  15 and name HN 
      ))
     (( resid  58 and name HN 
      ))
           3.7 0.93 0.93
! peak number c 2130  F1=  1.498  F2=  5.903   null   null  d=  3.6
assi (( resid  16 and name HA 
      ))
     (( resid  16 and name HB* 
      ))
           3.6 1.59 1.59
! peak number n 142  F1=  5.913  F2=  9.936   null   null  d=  3.8
assi (( resid  16 and name HA 
      ))
     (( resid  16 and name HN 
      ))
           3.8 0.95 0.95
! peak number c 62  F1=  4.792  F2=  5.896   null   null  d=  5.8 dist trop loin
! peak number c 2132  F1=  8.059  F2=  5.899   null   null  d=  3.5
assi (( resid  16 and name HA 
      ))
     (( resid  17 and name HN 
      ))
           3.5 0.88 0.88
! peak number c 2131  F1=  7.123  F2=  5.898   null   null  d=  4.5
assi (( resid  16 and name HA 
      ))
     (( resid  24 and name HD* 
      ))
           4.5 2.53 2.53
! peak number c 58  F1=  0.395  F2=  5.903   null   null  d=  4.7
assi (( resid  16 and name HA 
      ))
     (( resid  40 and name HD1*) or ( resid 14 and name HG1* 
      ))
           4.7 2.76 2.76
! peak number c 227  F1=  5.914  F2=  4.484   null   null  d=  4.6
assi (( resid  16 and name HA 
      ))
     (( resid  55 and name HA 
      ))
           4.59 1.15 1.15
! peak number c 59  F1=  0.639  F2=  5.903   null   null  d=  4.1
assi (( resid  16 and name HA 
      ))
     (( resid  55 and name HD1* 
      ))
           4.09 2.10 2.10
! peak number c 2133  F1=  9.929  F2=  1.490   null   null  d=  3.3
assi (( resid  16 and name HB* 
      ))
     (( resid  16 and name HN 
      ))
           3.3 1.36 1.36
! peak number c 2139  F1=  4.773  F2=  1.493   null   null  d=  4.0
assi (( resid  16 and name HB* 
      ))
     (( resid  17 and name HA 
      ))
           4 2.00 2.00
! peak number c 2135  F1=  8.066  F2=  1.488   null   null  d=  3.4
assi (( resid  16 and name HB* 
      ))
     (( resid  17 and name HN 
      ))
           3.4 1.40 1.40
! peak number c 3826  F1=  7.282  F2=  1.493   null   null  d=  4.7
assi (( resid  16 and name HB* 
      ))
     (( resid  18 and name HE3 
      ))
           4.7 2.76 2.76
! peak number c 2134  F1=  9.123  F2=  1.492   null   null  d=  3.9
assi (( resid  16 and name HB* 
      ))
     (( resid  25 and name HN 
      ))
           3.9 1.90 1.90
! peak number c 2140  F1=  4.493  F2=  1.486   null   null  d=  3.2
assi (( resid  16 and name HB* 
      ))
     (( resid  26 and name HB2 
      ))
           3.2 1.28 1.28
! peak number c 1164  F1=  1.474  F2=  7.348   null   null  d=  5.4 dist trop loin
! peak number c 1161  F1=  1.471  F2=  7.598   null   null  d=  4.4
assi (( resid  16 and name HB* 
      ))
     (( resid  42 and name HE* 
      ))
           4.4 2.42 2.42
! peak number c 1174  F1=  1.479  F2=  7.106   null   null  d=  3.8
assi (( resid  16 and name HB* 
      ))
     (( resid  42 and name HZ 
      ))
           3.8 1.76 1.76
! peak number c 226  F1=  1.498  F2=  4.468   null   null  d=  5.6 dist trop loin
! peak number c 378  F1=  1.507  F2=  5.058   null   null  d=  4.6
assi (( resid  16 and name HB*) or ( resid 101 and name HG2 
      ))
     (( resid  96 and name HA) or ( resid 54 and name HA 
      ))
           4.59 2.64 2.64
! peak number n 137  F1=  4.595  F2=  9.946   null   null  d=  3.4
assi (( resid  16 and name HN 
      ))
     (( resid  24 and name HA 
      ))
           3.4 0.85 0.85
! peak number c 1194  F1=  9.979  F2=  7.165   null   null  d=  5.0
assi (( resid  16 and name HN 
      ))
     (( resid  25 and name HD* 
      ))
           5 3.12 3.12
! peak number n 843  F1=  9.947  F2=  9.100   null   null  d=  3.7
assi (( resid  16 and name HN 
      ))
     (( resid  25 and name HN 
      ))
           3.7 0.93 0.93
! peak number n 138  F1=  4.981  F2=  9.948   null   null  d=  3.7
assi (( resid  16 and name HN 
      ))
     (( resid  26 and name HA 
      ))
           3.7 0.93 0.93
! peak number c 2153  F1=  4.776  F2=  0.927   null   null  d=  3.8
assi (( resid  17 and name HA 
      ))
     (( resid  17 and name HB1 
      ))
           3.8 1.85 1.85
! peak number c 2154  F1=  4.781  F2=  0.456   null   null  d=  4.4
assi (( resid  17 and name HA 
      ))
     (( resid  17 and name HB2 
      ))
           4.4 2.42 2.42
! peak number n 1216  F1=  4.775  F2=  8.098   null   null  d=  3.5
assi (( resid  17 and name HA 
      ))
     (( resid  17 and name HN 
      ))
           3.5 0.88 0.88
! peak number c 1138  F1=  4.746  F2=  6.454   null   null  d=  5.4 dist trop loin
! peak number c 1139  F1=  4.723  F2=  7.286   null   null  d=  6.6 dist trop loin
! peak number c 65  F1=  4.584  F2=  4.786   null   null  d=  3.8
assi (( resid  17 and name HA 
      ))
     (( resid  24 and name HA 
      ))
           3.8 0.95 0.95
! peak number c 2147  F1=  0.921  F2=  0.456   null   null  d=  3.1
assi (( resid  17 and name HB1 
      ))
     (( resid  17 and name HB2 
      ))
           3.1 1.20 1.20
! peak number c 2170  F1=  0.914  F2=  2.727   null   null  d=  2.9
assi (( resid  17 and name HB1 
      ))
     (( resid  17 and name HE1 
      ))
           2.9 1.05 1.05
! peak number c 2172  F1=  0.911  F2=  2.612   null   null  d=  2.9
assi (( resid  17 and name HB1 
      ))
     (( resid  17 and name HE2 
      ))
           2.9 1.05 1.05
! peak number c 2160  F1=  8.070  F2=  0.937   null   null  d=  3.6
assi (( resid  17 and name HB1 
      ))
     (( resid  17 and name HN 
      ))
           3.6 1.62 1.62
! peak number c 2193  F1=  0.908  F2=  2.764   null   null  d=  3.6
assi (( resid  17 and name HB1 
      ))
     (( resid  21 and name HB* 
      ))
           3.6 1.62 1.62
! peak number c 2155  F1=  7.232  F2=  0.928   null   null  d=  4.6
assi (( resid  17 and name HB1 
      ))
     (( resid  24 and name HZ 
      ))
           4.59 2.64 2.64
! peak number c 2161  F1=  5.040  F2=  0.925   null   null  d=  5.6 dist trop loin
! peak number c 2152  F1=  3.380  F2=  0.923   null   null  d=  4.8
assi (( resid  17 and name HB1 
      ))
     (( resid  54 and name HB2 
      ))
           4.8 2.88 2.88
! peak number c 2149  F1=  0.667  F2=  0.938   null   null  d=  3.4
assi (( resid  17 and name HB1 
      ))
     (( resid  55 and name HD1* 
      ))
           3.4 1.44 1.44
! peak number c 2167  F1=  0.465  F2=  2.728   null   null  d=  5.1
assi (( resid  17 and name HB2 
      ))
     (( resid  17 and name HE1 
      ))
           5.09 3.25 3.25
! peak number c 2174  F1=  0.467  F2=  2.608   null   null  d=  4.3
assi (( resid  17 and name HB2 
      ))
     (( resid  17 and name HE2 
      ))
           4.3 2.31 2.31
! peak number c 2150  F1=  1.145  F2=  0.454   null   null  d=  4.7
assi (( resid  17 and name HB2 
      ))
     (( resid  17 and name HG1 
      ))
           4.7 2.76 2.76
! peak number c 2157  F1=  8.080  F2=  0.461   null   null  d=  3.9
assi (( resid  17 and name HB2 
      ))
     (( resid  17 and name HN 
      ))
           3.9 1.90 1.90
! peak number c 3701  F1=  4.574  F2=  0.455   null   null  d=  4.6
assi (( resid  17 and name HB2 
      ))
     (( resid  24 and name HA 
      ))
           4.59 2.64 2.64
! peak number c 2156  F1=  7.221  F2=  0.457   null   null  d=  4.6
assi (( resid  17 and name HB2 
      ))
     (( resid  24 and name HZ 
      ))
           4.59 2.64 2.64
! peak number c 2162  F1=  5.060  F2=  0.446   null   null  d=  5.4 dist trop loin
! peak number c 2151  F1=  3.382  F2=  0.452   null   null  d=  4.7
assi (( resid  17 and name HB2 
      ))
     (( resid  54 and name HB2 
      ))
           4.7 2.76 2.76
! peak number c 2146  F1=  0.663  F2=  0.457   null   null  d=  3.1
assi (( resid  17 and name HB2 
      ))
     (( resid  55 and name HD1* 
      ))
           3.1 1.20 1.20
! peak number c 2169  F1=  1.153  F2=  2.733   null   null  d=  4.1
assi (( resid  17 and name HE1 
      ))
     (( resid  17 and name HG1 
      ))
           4.09 2.10 2.10
! peak number c 2177  F1=  7.227  F2=  2.726   null   null  d=  4.0
assi (( resid  17 and name HE1 
      ))
     (( resid  24 and name HZ 
      ))
           4 2.00 2.00
! peak number c 2168  F1=  1.139  F2=  2.609   null   null  d=  3.4
assi (( resid  17 and name HE2 
      ))
     (( resid  17 and name HG1 
      ))
           3.4 1.44 1.44
! peak number c 2178  F1=  7.240  F2=  2.610   null   null  d=  3.8
assi (( resid  17 and name HE2 
      ))
     (( resid  24 and name HZ 
      ))
           3.8 1.80 1.80
! peak number n 1214  F1=  7.106  F2=  8.092   null   null  d=  3.8
assi (( resid  17 and name HN 
      ))
     (( resid  42 and name HZ) or ( resid 24 and name HD* 
      ))
           3.8 1.80 1.80
! peak number n 1210  F1=  0.669  F2=  8.105   null   null  d=  3.6
assi (( resid  17 and name HN 
      ))
     (( resid  55 and name HD1* 
      ))
           3.6 1.62 1.62
! peak number c 68  F1=  2.973  F2=  5.005   null   null  d=  3.9
assi (( resid  18 and name HA 
      ))
     (( resid  18 and name HB1 
      ))
           3.9 1.90 1.90
! peak number c 67  F1=  3.679  F2=  5.001   null   null  d=  3.4
assi (( resid  18 and name HA 
      ))
     (( resid  18 and name HB2 
      ))
           3.4 1.44 1.44
! peak number n 576  F1=  5.033  F2=  7.788   null   null  d=  4.3
assi (( resid  18 and name HA 
      ))
     (( resid  19 and name HN 
      ))
           4.3 1.07 1.07
! peak number c 70  F1=  1.290  F2=  5.004   null   null  d=  4.6
assi (( resid  18 and name HA 
      ))
     (( resid  50 and name HG1* 
      ))
           4.59 2.64 2.64
! peak number c 69  F1=  1.099  F2=  5.005   null   null  d=  4.6
assi (( resid  18 and name HA 
      ))
     (( resid  50 and name HG2* 
      ))
           4.59 2.64 2.64
! peak number c 2179  F1=  3.691  F2=  2.972   null   null  d=  3.0
assi (( resid  18 and name HB1 
      ))
     (( resid  18 and name HB2 
      ))
           3 1.16 1.16
! peak number c 1092  F1=  2.955  F2=  6.450   null   null  d=  4.4
assi (( resid  18 and name HB1 
      ))
     (( resid  18 and name HD1 
      ))
           4.4 2.42 2.42
! peak number c 1096  F1=  2.973  F2=  7.294   null   null  d=  5.5 dist trop loin
! peak number c 1098  F1=  2.956  F2=  6.739   null   null  d=  5.9 dist trop loin
! peak number c 2182  F1=  1.058  F2=  2.971   null   null  d=  4.0
assi (( resid  18 and name HB1 
      ))
     (( resid  50 and name HG2* 
      ))
           4 2.00 2.00
! peak number c 1093  F1=  3.700  F2=  6.455   null   null  d=  4.9
assi (( resid  18 and name HB2 
      ))
     (( resid  18 and name HD1 
      ))
           4.9 3.00 3.00
! peak number c 1097  F1=  3.665  F2=  7.300   null   null  d=  6.0 dist trop loin
! peak number c 1099  F1=  3.669  F2=  6.753   null   null  d=  5.6 dist trop loin
! peak number c 2184  F1=  6.737  F2=  3.718   null   null  d=  3.8
assi (( resid  18 and name HB2 
      ))
     (( resid  18 and name HZ3) or ( resid 18 and name HH2 
      ))
           3.8 1.80 1.80
! peak number c 1091  F1=  9.157  F2=  6.453   null   null  d=  3.0
assi (( resid  18 and name HD1 
      ))
     (( resid  18 and name HE1 
      ))
           3 1.16 1.16
! peak number c 1136  F1=  7.122  F2=  6.453   null   null  d=  4.2
assi (( resid  18 and name HD1 
      ))
     (( resid  42 and name HZ 
      ))
           4.2 2.21 2.21
! peak number c 1119  F1=  9.158  F2=  6.945   null   null  d=  3.4
assi (( resid  18 and name HE1 
      ))
     (( resid  18 and name HZ2 
      ))
           3.4 1.44 1.44
! peak number n 21  F1=  6.574  F2=  9.159   null   null  d=  3.5
assi (( resid  18 and name HE1 
      ))
     (( resid  46 and name HD* 
      ))
           3.5 1.53 1.53
! peak number c 2650  F1=  9.161  F2=  0.643   null   null  d=  3.4
assi (( resid  18 and name HE1) or ( resid 116 and name HN 
      ))
     (( resid  61 and name HD1*) or ( resid 55 and name HD1* 
      ))
           3.4 1.44 1.44
! peak number c 1102  F1=  6.936  F2=  7.290   null   null  d=  5.7 dist trop loin
! peak number c 1094  F1=  6.739  F2=  7.292   null   null  d=  3.1
assi (( resid  18 and name HE3 
      ))
     (( resid  18 and name HZ3 
      ))
           3.1 1.20 1.20
! peak number c 1206  F1=  7.285  F2=  6.131   null   null  d=  4.6
assi (( resid  18 and name HE3 
      ))
     (( resid  46 and name HE* 
      ))
           4.59 2.64 2.64
! peak number c 2637  F1=  7.281  F2=  3.143   null   null  d=  4.0
assi (( resid  18 and name HE3 
      ))
     (( resid  53 and name HE* 
      ))
           4 2.00 2.00
! peak number c 1120  F1=  6.751  F2=  6.945   null   null  d=  2.9
assi (( resid  18 and name HH2 
      ))
     (( resid  18 and name HZ2 
      ))
           2.9 1.05 1.05
! peak number c 1208  F1=  6.734  F2=  6.133   null   null  d=  4.4
assi (( resid  18 and name HH2 
      ))
     (( resid  46 and name HE* 
      ))
           4.4 2.42 2.42
! peak number c 3123  F1=  6.739  F2=  2.045   null   null  d=  3.3
assi (( resid  18 and name HH2 
      ))
     (( resid  50 and name HB 
      ))
           3.3 1.36 1.36
! peak number c 1141  F1=  7.110  F2=  6.948   null   null  d=  5.0
assi (( resid  18 and name HZ2 
      ))
     (( resid  42 and name HZ 
      ))
           5 3.12 3.12
! peak number c 1210  F1=  6.758  F2=  6.574   null   null  d=  4.1
assi (( resid  18 and name HZ3) or ( resid 18 and name HH2 
      ))
     (( resid  46 and name HD* 
      ))
           4.09 2.10 2.10
! peak number c 2189  F1=  4.570  F2=  3.193   null   null  d=  3.6
assi (( resid  19 and name HA 
      ))
     (( resid  19 and name HB1 
      ))
           3.6 1.62 1.62
! peak number c 2187  F1=  4.583  F2=  3.515   null   null  d=  3.5
assi (( resid  19 and name HA 
      ))
     (( resid  19 and name HB2 
      ))
           3.5 1.58 1.58
! peak number n 575  F1=  4.624  F2=  7.791   null   null  d=  4.0
assi (( resid  19 and name HA 
      ))
     (( resid  19 and name HN 
      ))
           4 1.00 1.00
! peak number c 2185  F1=  3.534  F2=  3.193   null   null  d=  3.0
assi (( resid  19 and name HB1 
      ))
     (( resid  19 and name HB2 
      ))
           3 1.09 1.09
! peak number c 2192  F1=  7.761  F2=  3.193   null   null  d=  5.2
assi (( resid  19 and name HB1 
      ))
     (( resid  19 and name HN 
      ))
           5.2 3.38 3.38
! peak number c 2191  F1=  7.798  F2=  3.530   null   null  d=  4.5
assi (( resid  19 and name HB2 
      ))
     (( resid  19 and name HN 
      ))
           4.5 2.53 2.53
! peak number c 2194  F1=  4.785  F2=  2.769   null   null  d=  2.7
assi (( resid  21 and name HA 
      ))
     (( resid  21 and name HB* 
      ))
           2.7 0.91 0.91
! peak number c 2978  F1=  4.777  F2=  3.602   null   null  d=  3.8
assi (( resid  21 and name HA 
      ))
     (( resid  22 and name HA1 
      ))
           3.8 0.95 0.95
! peak number c 2196  F1=  7.379  F2=  2.769   null   null  d=  3.4
assi (( resid  21 and name HB* 
      ))
     (( resid  21 and name HD21 
      ))
           3.4 1.44 1.44
! peak number c 2195  F1=  6.823  F2=  2.765   null   null  d=  3.4
assi (( resid  21 and name HB* 
      ))
     (( resid  21 and name HD22 
      ))
           3.4 1.44 1.44
! peak number n 1238  F1=  6.853  F2=  7.392   null   null  d=  2.8
assi (( resid  21 and name HD21 
      ))
     (( resid  21 and name HD22 
      ))
           2.8 0.98 0.98
! peak number c 1183  F1=  3.661  F2=  6.532   null   null  d=  4.2
assi (( resid  22 and name HA1 
      ))
     (( resid  23 and name HE* 
      ))
           4.2 2.21 2.21
! peak number n 404  F1=  3.637  F2=  7.284   null   null  d=  3.2
assi (( resid  22 and name HA1 
      ))
     (( resid  23 and name HN 
      ))
           3.2 0.80 0.80
! peak number n 300  F1=  3.769  F2=  7.424   null   null  d=  3.9
assi (( resid  22 and name HA2 
      ))
     (( resid  22 and name HN 
      ))
           3.9 0.97 0.97
! peak number n 405  F1=  3.759  F2=  7.282   null   null  d=  3.0
assi (( resid  22 and name HA2 
      ))
     (( resid  23 and name HN 
      ))
           3 0.75 0.75
! peak number c 2203  F1=  4.619  F2=  2.251   null   null  d=  5.3
assi (( resid  23 and name HA 
      ))
     (( resid  23 and name HB1 
      ))
           5.3 3.51 3.51
! peak number c 200  F1=  2.512  F2=  4.625   null   null  d=  4.8
assi (( resid  23 and name HA 
      ))
     (( resid  23 and name HB2 
      ))
           4.8 2.88 2.88
! peak number c 1175  F1=  4.633  F2=  6.807   null   null  d=  5.0
assi (( resid  23 and name HA 
      ))
     (( resid  23 and name HD* 
      ))
           5 3.12 3.12
! peak number n 406  F1=  4.630  F2=  7.290   null   null  d=  3.2
assi (( resid  23 and name HA 
      ))
     (( resid  23 and name HN 
      ))
           3.2 0.80 0.80
! peak number c 1189  F1=  4.609  F2=  7.316   null   null  d=  6.5 dist trop loin
! peak number n 552  F1=  4.630  F2=  9.653   null   null  d=  2.9
assi (( resid  23 and name HA 
      ))
     (( resid  24 and name HN 
      ))
           2.9 0.72 0.72
! peak number c 2201  F1=  2.245  F2=  2.501   null   null  d=  4.3
assi (( resid  23 and name HB1 
      ))
     (( resid  23 and name HB2 
      ))
           4.3 2.31 2.31
! peak number c 1006  F1=  2.260  F2=  6.809   null   null  d=  4.5
assi (( resid  23 and name HB1 
      ))
     (( resid  23 and name HD* 
      ))
           4.5 2.59 2.59
! peak number c 1003  F1=  2.243  F2=  6.535   null   null  d=  5.0
assi (( resid  23 and name HB1 
      ))
     (( resid  23 and name HE* 
      ))
           5 3.19 3.19
! peak number n 402  F1=  2.284  F2=  7.288   null   null  d=  3.3
assi (( resid  23 and name HB1 
      ))
     (( resid  23 and name HN 
      ))
           3.3 1.36 1.36
! peak number n 553  F1=  2.271  F2=  9.648   null   null  d=  3.3
assi (( resid  23 and name HB1 
      ))
     (( resid  24 and name HN 
      ))
           3.3 1.36 1.36
! peak number c 2210  F1=  7.243  F2=  2.249   null   null  d=  4.3
assi (( resid  23 and name HB1 
      ))
     (( resid  24 and name HZ 
      ))
           4.3 2.31 2.31
! peak number c 1200  F1=  2.250  F2=  6.577   null   null  d=  5.3
assi (( resid  23 and name HB1 
      ))
     (( resid  25 and name HE* 
      ))
           5.3 3.51 3.51
! peak number c 2208  F1=  6.798  F2=  2.500   null   null  d=  4.4
assi (( resid  23 and name HB2 
      ))
     (( resid  23 and name HD* 
      ))
           4.4 2.42 2.42
! peak number c 3922  F1=  7.267  F2=  2.495   null   null  d=  3.8
assi (( resid  23 and name HB2 
      ))
     (( resid  23 and name HN 
      ))
           3.8 1.76 1.76
! peak number c 2212  F1=  9.622  F2=  2.494   null   null  d=  4.8
assi (( resid  23 and name HB2 
      ))
     (( resid  24 and name HN 
      ))
           4.8 2.88 2.88
! peak number c 1201  F1=  2.506  F2=  6.576   null   null  d=  4.4
assi (( resid  23 and name HB2 
      ))
     (( resid  25 and name HE* 
      ))
           4.4 2.42 2.42
! peak number c 2205  F1=  6.553  F2=  2.497   null   null  d=  4.9
assi (( resid  23 and name HB2 
      ))
     (( resid  25 and name HE*) or ( resid 23 and name HE* 
      ))
           4.9 3.00 3.00
! peak number c 1001  F1=  6.798  F2=  6.536   null   null  d=  2.5
assi (( resid  23 and name HD* 
      ))
     (( resid  23 and name HE* 
      ))
           2.5 0.75 0.75
! peak number c 1177  F1=  7.281  F2=  6.803   null   null  d=  4.0
assi (( resid  23 and name HD* 
      ))
     (( resid  23 and name HN 
      ))
           4 1.95 1.95
! peak number c 1184  F1=  3.835  F2=  6.533   null   null  d=  3.8
assi (( resid  23 and name HE* 
      ))
     (( resid  68 and name HB) or ( resid 112 and name HA 
      ))
           3.8 1.80 1.80
! peak number c 1182  F1=  0.926  F2=  6.536   null   null  d=  3.7
assi (( resid  23 and name HE* 
      ))
     (( resid  68 and name HG2* 
      ))
           3.7 1.71 1.71
! peak number n 550  F1=  7.267  F2=  9.655   null   null  d=  3.8
assi (( resid  23 and name HN 
      ))
     (( resid  24 and name HN 
      ))
           3.8 0.95 0.95
! peak number n 408  F1=  6.568  F2=  7.285   null   null  d=  3.3
assi (( resid  23 and name HN 
      ))
     (( resid  25 and name HE*) or ( resid 23 and name HE* 
      ))
           3.3 1.36 1.36
! peak number c 1191  F1=  4.559  F2=  7.167   null   null  d=  4.9
assi (( resid  24 and name HA 
      ))
     (( resid  25 and name HD* 
      ))
           4.9 3.00 3.00
! peak number n 837  F1=  4.593  F2=  9.099   null   null  d=  3.0
assi (( resid  24 and name HA 
      ))
     (( resid  25 and name HN 
      ))
           3 0.75 0.75
! peak number c 203  F1=  0.653  F2=  4.597   null   null  d=  4.3
assi (( resid  24 and name HA) or ( resid 23 and name HA 
      ))
     (( resid  55 and name HD1*) or ( resid 111 and name HD2*) or ( resid 110 and name HG2*) or ( resid 110 and name HG12 
      ))
           4.3 2.31 2.31
! peak number c 3951  F1=  0.554  F2=  2.552   null   null  d=  4.8
assi (( resid  24 and name HB1) or ( resid 123 and name HB1 
      ))
     (( resid  56 and name HD1* 
      ))
           4.8 2.88 2.88
! peak number n 554  F1=  2.555  F2=  9.647   null   null  d=  3.6
assi (( resid  24 and name HB1) or ( resid 23 and name HB2 
      ))
     (( resid  24 and name HN 
      ))
           3.6 1.62 1.62
! peak number c 1202  F1=  2.998  F2=  6.577   null   null  d=  4.5
assi (( resid  24 and name HB2 
      ))
     (( resid  25 and name HE* 
      ))
           4.5 2.53 2.53
! peak number n 551  F1=  7.106  F2=  9.653   null   null  d=  3.1
assi (( resid  24 and name HD* 
      ))
     (( resid  24 and name HN 
      ))
           3.1 1.20 1.20
! peak number c 2701  F1=  7.095  F2=  1.786   null   null  d=  3.7
assi (( resid  24 and name HD* 
      ))
     (( resid  60 and name HB1 
      ))
           3.7 1.71 1.71
! peak number c 2698  F1=  7.098  F2=  1.958   null   null  d=  3.7
assi (( resid  24 and name HD* 
      ))
     (( resid  60 and name HB2 
      ))
           3.7 1.71 1.71
! peak number c 2732  F1=  7.097  F2=  0.783   null   null  d=  4.1
assi (( resid  24 and name HD* 
      ))
     (( resid  61 and name HG2* 
      ))
           4.09 2.10 2.10
! peak number c 1132  F1=  0.292  F2=  7.145   null   null  d=  4.9
assi (( resid  24 and name HD* 
      ))
     (( resid  67 and name HG1* 
      ))
           4.9 3.00 3.00
! peak number c 86  F1=  3.026  F2=  5.089   null   null  d=  4.5
assi (( resid  25 and name HA 
      ))
     (( resid  25 and name HB1 
      ))
           4.5 2.53 2.53
! peak number c 87  F1=  3.456  F2=  5.087   null   null  d=  4.2
assi (( resid  25 and name HA 
      ))
     (( resid  25 and name HB2 
      ))
           4.2 2.21 2.21
! peak number c 1055  F1=  5.069  F2=  7.166   null   null  d=  4.0
assi (( resid  25 and name HA 
      ))
     (( resid  25 and name HD* 
      ))
           4 2.00 2.00
! peak number n 839  F1=  5.107  F2=  9.102   null   null  d=  3.9
assi (( resid  25 and name HA 
      ))
     (( resid  25 and name HN 
      ))
           3.9 0.97 0.97
! peak number n 476  F1=  5.103  F2=  9.604   null   null  d=  2.8
assi (( resid  25 and name HA 
      ))
     (( resid  26 and name HN 
      ))
           2.8 0.70 0.70
! peak number c 1056  F1=  3.025  F2=  7.166   null   null  d=  3.4
assi (( resid  25 and name HB1 
      ))
     (( resid  25 and name HD* 
      ))
           3.4 1.44 1.44
! peak number n 835  F1=  3.065  F2=  9.101   null   null  d=  3.6
assi (( resid  25 and name HB1 
      ))
     (( resid  25 and name HN 
      ))
           3.6 1.62 1.62
! peak number n 477  F1=  3.066  F2=  9.605   null   null  d=  3.9
assi (( resid  25 and name HB1 
      ))
     (( resid  26 and name HN 
      ))
           3.9 1.90 1.90
! peak number c 1160  F1=  3.014  F2=  7.353   null   null  d=  4.9
assi (( resid  25 and name HB1 
      ))
     (( resid  42 and name HD* 
      ))
           4.9 3.00 3.00
! peak number c 1159  F1=  3.015  F2=  7.600   null   null  d=  4.5
assi (( resid  25 and name HB1 
      ))
     (( resid  42 and name HE* 
      ))
           4.5 2.53 2.53
! peak number c 1057  F1=  3.451  F2=  7.163   null   null  d=  3.9
assi (( resid  25 and name HB2 
      ))
     (( resid  25 and name HD* 
      ))
           3.9 1.85 1.85
! peak number c 1052  F1=  3.450  F2=  6.568   null   null  d=  5.7 dist trop loin
! peak number c 2222  F1=  9.143  F2=  3.447   null   null  d=  4.0
assi (( resid  25 and name HB2 
      ))
     (( resid  25 and name HN 
      ))
           4 1.95 1.95
! peak number c 2221  F1=  9.608  F2=  3.444   null   null  d=  4.0
assi (( resid  25 and name HB2 
      ))
     (( resid  26 and name HN 
      ))
           4 2.00 2.00
! peak number c 1192  F1=  6.579  F2=  7.167   null   null  d=  2.8
assi (( resid  25 and name HD* 
      ))
     (( resid  25 and name HE* 
      ))
           2.8 0.95 0.95
! peak number c 1054  F1=  9.112  F2=  7.170   null   null  d=  3.5
assi (( resid  25 and name HD* 
      ))
     (( resid  25 and name HN 
      ))
           3.5 1.49 1.49
! peak number c 1193  F1=  9.620  F2=  7.163   null   null  d=  5.2
assi (( resid  25 and name HD* 
      ))
     (( resid  26 and name HN 
      ))
           5.2 3.38 3.38
! peak number c 1265  F1=  8.984  F2=  7.193   null   null  d=  4.6
assi (( resid  25 and name HD*) or ( resid 104 and name HD* 
      ))
     (( resid  95 and name HN) or ( resid 110 and name HN 
      ))
           4.59 2.64 2.64
! peak number c 1053  F1=  9.112  F2=  6.571   null   null  d=  4.8
assi (( resid  25 and name HE* 
      ))
     (( resid  25 and name HN 
      ))
           4.8 2.82 2.82
! peak number c 91  F1=  4.168  F2=  4.967   null   null  d=  4.2
assi (( resid  26 and name HA 
      ))
     (( resid  26 and name HB1 
      ))
           4.2 2.21 2.21
! peak number c 90  F1=  4.431  F2=  4.972   null   null  d=  3.9
assi (( resid  26 and name HA 
      ))
     (( resid  26 and name HB2 
      ))
           3.9 1.90 1.90
! peak number n 475  F1=  4.984  F2=  9.602   null   null  d=  3.7
assi (( resid  26 and name HA 
      ))
     (( resid  26 and name HN 
      ))
           3.7 0.93 0.93
! peak number n 371  F1=  4.985  F2=  8.550   null   null  d=  2.9
assi (( resid  26 and name HA 
      ))
     (( resid  27 and name HN 
      ))
           2.9 0.72 0.72
! peak number n 472  F1=  4.213  F2=  9.609   null   null  d=  3.9
assi (( resid  26 and name HB1 
      ))
     (( resid  26 and name HN 
      ))
           3.9 1.90 1.90
! peak number n 367  F1=  4.190  F2=  8.552   null   null  d=  3.8
assi (( resid  26 and name HB1 
      ))
     (( resid  27 and name HN 
      ))
           3.8 1.80 1.80
! peak number n 473  F1=  4.457  F2=  9.606   null   null  d=  3.8
assi (( resid  26 and name HB2 
      ))
     (( resid  26 and name HN 
      ))
           3.8 1.80 1.80
! peak number n 368  F1=  4.480  F2=  8.551   null   null  d=  3.5
assi (( resid  27 and name HA1 
      ))
     (( resid  27 and name HN 
      ))
           3.5 0.88 0.88
! peak number n 762  F1=  4.501  F2=  8.230   null   null  d=  3.0
assi (( resid  27 and name HA1 
      ))
     (( resid  28 and name HN 
      ))
           3 0.75 0.75
! peak number c 175  F1=  4.474  F2=  4.845   null   null  d=  3.9
assi (( resid  27 and name HA1 
      ))
     (( resid  42 and name HA 
      ))
           3.9 0.99 0.99
! peak number n 1137  F1=  4.488  F2=  8.785   null   null  d=  3.7
assi (( resid  27 and name HA1) or ( resid 26 and name HB2 
      ))
     (( resid  43 and name HN 
      ))
           3.7 1.71 1.71
! peak number n 373  F1=  3.650  F2=  8.551   null   null  d=  3.5
assi (( resid  27 and name HA2 
      ))
     (( resid  27 and name HN 
      ))
           3.5 0.88 0.88
! peak number c 2224  F1=  8.222  F2=  3.624   null   null  d=  3.4
assi (( resid  27 and name HA2 
      ))
     (( resid  28 and name HN 
      ))
           3.4 0.85 0.85
! peak number n 1136  F1=  3.646  F2=  8.789   null   null  d=  3.2
assi (( resid  27 and name HA2 
      ))
     (( resid  43 and name HN 
      ))
           3.2 0.80 0.80
! peak number n 370  F1=  4.859  F2=  8.550   null   null  d=  4.0
assi (( resid  27 and name HN 
      ))
     (( resid  42 and name HA 
      ))
           4 1.00 1.00
! peak number c 106  F1=  1.521  F2=  5.297   null   null  d=  3.7
assi (( resid  28 and name HA 
      ))
     (( resid  28 and name HB1 
      ))
           3.7 1.71 1.71
! peak number c 105  F1=  1.447  F2=  5.292   null   null  d=  3.6
assi (( resid  28 and name HA 
      ))
     (( resid  28 and name HB2 
      ))
           3.6 1.62 1.62
! peak number c 104  F1=  1.211  F2=  5.294   null   null  d=  3.7
assi (( resid  28 and name HA 
      ))
     (( resid  28 and name HG* 
      ))
           3.7 1.71 1.71
! peak number n 777  F1=  5.311  F2=  8.227   null   null  d=  3.3
assi (( resid  28 and name HA 
      ))
     (( resid  28 and name HN 
      ))
           3.3 0.82 0.82
! peak number n 1172  F1=  5.305  F2=  8.246   null   null  d=  2.8
assi (( resid  28 and name HA 
      ))
     (( resid  29 and name HN 
      ))
           2.8 0.70 0.70
! peak number c 103  F1=  4.588  F2=  5.294   null   null  d=  4.9
assi (( resid  28 and name HA 
      ))
     (( resid  43 and name HA 
      ))
           4.9 1.23 1.23
! peak number c 2232  F1=  2.830  F2=  1.498   null   null  d=  4.5
assi (( resid  28 and name HB1 
      ))
     (( resid  28 and name HE* 
      ))
           4.5 2.53 2.53
! peak number c 2228  F1=  1.222  F2=  1.502   null   null  d=  2.6
assi (( resid  28 and name HB1 
      ))
     (( resid  28 and name HG* 
      ))
           2.6 0.84 0.84
! peak number n 770  F1=  1.543  F2=  8.228   null   null  d=  3.0
assi (( resid  28 and name HB1 
      ))
     (( resid  28 and name HN 
      ))
           3 1.12 1.12
! peak number c 2239  F1=  8.221  F2=  1.518   null   null  d=  3.3
assi (( resid  28 and name HB1 
      ))
     (( resid  29 and name HN) or ( resid 28 and name HN 
      ))
           3.3 1.36 1.36
! peak number c 2240  F1=  8.435  F2=  1.525   null   null  d=  5.7 dist trop loin
! peak number n 1175  F1=  1.530  F2=  8.246   null   null  d=  3.6
assi (( resid  28 and name HB1) or ( resid 12 and name HB1 
      ))
     (( resid  29 and name HN 
      ))
           3.6 1.62 1.62
! peak number c 2233  F1=  2.830  F2=  1.436   null   null  d=  3.8
assi (( resid  28 and name HB2 
      ))
     (( resid  28 and name HE* 
      ))
           3.8 1.80 1.80
! peak number c 3815  F1=  1.225  F2=  1.447   null   null  d=  3.0
assi (( resid  28 and name HB2 
      ))
     (( resid  28 and name HG* 
      ))
           3 1.12 1.12
! peak number c 2238  F1=  8.227  F2=  1.438   null   null  d=  3.2
assi (( resid  28 and name HB2 
      ))
     (( resid  28 and name HN 
      ))
           3.2 1.32 1.32
! peak number c 2241  F1=  8.450  F2=  1.449   null   null  d=  4.6
assi (( resid  28 and name HB2 
      ))
     (( resid  41 and name HN 
      ))
           4.59 2.64 2.64
! peak number c 2247  F1=  8.367  F2=  1.575   null   null  d=  4.1
assi (( resid  28 and name HD* 
      ))
     (( resid  44 and name HN 
      ))
           4.09 2.10 2.10
! peak number c 2244  F1=  2.821  F2=  1.199   null   null  d=  3.4
assi (( resid  28 and name HE* 
      ))
     (( resid  28 and name HG* 
      ))
           3.4 1.44 1.44
! peak number c 2485  F1=  2.844  F2=  3.483   null   null  d=  4.0
assi (( resid  28 and name HE* 
      ))
     (( resid  42 and name HB2 
      ))
           4 2.00 2.00
! peak number c 2242  F1=  8.232  F2=  1.201   null   null  d=  3.3
assi (( resid  28 and name HG* 
      ))
     (( resid  28 and name HN 
      ))
           3.3 1.36 1.36
! peak number n 769  F1=  0.213  F2=  8.246   null   null  d=  3.5
assi (( resid  28 and name HN 
      ))
     (( resid  40 and name HD2* 
      ))
           3.5 1.58 1.58
! peak number n 1013  F1=  8.227  F2=  8.453   null   null  d=  3.6
assi (( resid  28 and name HN 
      ))
     (( resid  41 and name HN 
      ))
           3.6 0.89 0.89
! peak number n 764  F1=  4.845  F2=  8.229   null   null  d=  3.5
assi (( resid  28 and name HN 
      ))
     (( resid  42 and name HA 
      ))
           3.5 0.88 0.88
! peak number n 1142  F1=  8.208  F2=  8.786   null   null  d=  4.1
assi (( resid  28 and name HN 
      ))
     (( resid  43 and name HN 
      ))
           4.09 1.02 1.02
! peak number n 783  F1=  4.380  F2=  7.643   null   null  d=  3.4
assi (( resid  29 and name HA 
      ))
     (( resid  31 and name HN 
      ))
           3.4 0.85 0.85
! peak number c 109  F1=  0.409  F2=  4.372   null   null  d=  3.6
assi (( resid  29 and name HA) or ( resid 109 and name HA 
      ))
     (( resid  95 and name HG2*) or ( resid 95 and name HD1*) or ( resid 14 and name HG1* 
      ))
           3.6 1.62 1.62
! peak number c 3912  F1=  8.218  F2=  0.400   null   null  d=  4.0
assi (( resid  29 and name HN) or ( resid 28 and name HN 
      ))
     (( resid  40 and name HD1* 
      ))
           4 2.00 2.00
! peak number c 113  F1=  4.151  F2=  4.630   null   null  d=  3.1
assi (( resid  30 and name HA 
      ))
     (( resid  30 and name HB 
      ))
           3.1 1.24 1.24
! peak number c 118  F1=  1.224  F2=  4.625   null   null  d=  3.1
assi (( resid  30 and name HA 
      ))
     (( resid  30 and name HG2* 
      ))
           3.1 1.20 1.20
! peak number n 911  F1=  4.655  F2=  8.265   null   null  d=  3.4
assi (( resid  30 and name HA 
      ))
     (( resid  30 and name HN 
      ))
           3.4 0.85 0.85
! peak number n 784  F1=  4.644  F2=  7.641   null   null  d=  3.4
assi (( resid  30 and name HA 
      ))
     (( resid  31 and name HN 
      ))
           3.4 0.85 0.85
! peak number c 2259  F1=  4.167  F2=  1.226   null   null  d=  2.6
assi (( resid  30 and name HB 
      ))
     (( resid  30 and name HG2* 
      ))
           2.6 0.85 0.85
! peak number n 781  F1=  4.228  F2=  7.643   null   null  d=  3.7
assi (( resid  30 and name HB 
      ))
     (( resid  31 and name HN 
      ))
           3.7 1.71 1.71
! peak number c 2257  F1=  8.253  F2=  1.220   null   null  d=  4.4
assi (( resid  30 and name HG2* 
      ))
     (( resid  30 and name HN 
      ))
           4.4 2.42 2.42
! peak number c 3785  F1=  1.833  F2=  1.218   null   null  d=  4.4
assi (( resid  30 and name HG2* 
      ))
     (( resid  31 and name HB2 
      ))
           4.4 2.42 2.42
! peak number c 3787  F1=  1.502  F2=  1.218   null   null  d=  3.7
assi (( resid  30 and name HG2* 
      ))
     (( resid  31 and name HG* 
      ))
           3.7 1.71 1.71
! peak number c 3783  F1=  4.781  F2=  1.202   null   null  d=  3.8
assi (( resid  30 and name HG2* 
      ))
     (( resid  40 and name HA 
      ))
           3.8 1.80 1.80
! peak number c 3786  F1=  1.610  F2=  1.217   null   null  d=  3.5
assi (( resid  30 and name HG2* 
      ))
     (( resid  41 and name HB2) or ( resid 39 and name HD2) or ( resid 31 and name HB1 
      ))
           3.5 1.53 1.53
! peak number n 908  F1=  1.243  F2=  8.256   null   null  d=  3.8
assi (( resid  30 and name HN 
      ))
     (( resid  39 and name HG* 
      ))
           3.8 1.80 1.80
! peak number c 122  F1=  1.637  F2=  4.426   null   null  d=  3.4
assi (( resid  31 and name HA 
      ))
     (( resid  31 and name HB1 
      ))
           3.4 1.40 1.40
! peak number c 123  F1=  1.853  F2=  4.422   null   null  d=  3.5
assi (( resid  31 and name HA 
      ))
     (( resid  31 and name HB2 
      ))
           3.5 1.53 1.53
! peak number c 124  F1=  3.098  F2=  4.426   null   null  d=  4.0
assi (( resid  31 and name HA 
      ))
     (( resid  31 and name HD* 
      ))
           4 2.00 2.00
! peak number c 121  F1=  1.482  F2=  4.422   null   null  d=  3.5
assi (( resid  31 and name HA 
      ))
     (( resid  31 and name HG* 
      ))
           3.5 1.53 1.53
! peak number n 782  F1=  4.438  F2=  7.642   null   null  d=  3.1
assi (( resid  31 and name HA 
      ))
     (( resid  31 and name HN 
      ))
           3.1 0.78 0.78
! peak number c 2299  F1=  4.409  F2=  2.960   null   null  d=  4.2
assi (( resid  31 and name HA 
      ))
     (( resid  32 and name HB1 
      ))
           4.2 2.21 2.21
! peak number n 108  F1=  4.440  F2=  9.035   null   null  d=  2.5
assi (( resid  31 and name HA 
      ))
     (( resid  32 and name HN 
      ))
           2.5 0.62 0.62
! peak number c 2270  F1=  1.626  F2=  1.840   null   null  d=  2.7
assi (( resid  31 and name HB1 
      ))
     (( resid  31 and name HB2 
      ))
           2.7 0.88 0.88
! peak number c 2275  F1=  3.112  F2=  1.613   null   null  d=  2.8
assi (( resid  31 and name HB1 
      ))
     (( resid  31 and name HD* 
      ))
           2.8 1.02 1.02
! peak number c 2283  F1=  7.606  F2=  1.616   null   null  d=  4.0
assi (( resid  31 and name HB1 
      ))
     (( resid  31 and name HN 
      ))
           4 2.05 2.05
! peak number n 104  F1=  1.666  F2=  9.036   null   null  d=  2.9
assi (( resid  31 and name HB1 
      ))
     (( resid  32 and name HN 
      ))
           2.9 1.05 1.05
! peak number c 2264  F1=  0.627  F2=  1.616   null   null  d=  3.8
assi (( resid  31 and name HB1 
      ))
     (( resid  33 and name HG1* 
      ))
           3.8 1.80 1.80
! peak number c 2265  F1=  0.839  F2=  1.609   null   null  d=  4.2
assi (( resid  31 and name HB1 
      ))
     (( resid  33 and name HG2* 
      ))
           4.2 2.21 2.21
! peak number c 2274  F1=  2.832  F2=  1.614   null   null  d=  3.5
assi (( resid  31 and name HB1 
      ))
     (( resid  39 and name HE2 
      ))
           3.5 1.49 1.49
! peak number c 2408  F1=  1.628  F2=  1.246   null   null  d=  2.6
assi (( resid  31 and name HB1 
      ))
     (( resid  39 and name HG* 
      ))
           2.6 0.85 0.85
! peak number n 208  F1=  1.649  F2=  9.074   null   null  d=  3.4
assi (( resid  31 and name HB1 
      ))
     (( resid  39 and name HN 
      ))
           3.4 1.44 1.44
! peak number c 2285  F1=  9.050  F2=  1.614   null   null  d=  3.7
assi (( resid  31 and name HB1 
      ))
     (( resid  39 and name HN) or ( resid 32 and name HN 
      ))
           3.7 1.71 1.71
! peak number c 2276  F1=  3.117  F2=  1.841   null   null  d=  3.5
assi (( resid  31 and name HB2 
      ))
     (( resid  31 and name HD* 
      ))
           3.5 1.53 1.53
! peak number c 2282  F1=  7.613  F2=  1.835   null   null  d=  3.8
assi (( resid  31 and name HB2 
      ))
     (( resid  31 and name HN 
      ))
           3.8 1.80 1.80
! peak number c 2284  F1=  9.028  F2=  1.836   null   null  d=  3.5
assi (( resid  31 and name HB2 
      ))
     (( resid  32 and name HN 
      ))
           3.5 1.58 1.58
! peak number c 2268  F1=  0.619  F2=  1.838   null   null  d=  4.2
assi (( resid  31 and name HB2 
      ))
     (( resid  33 and name HG1* 
      ))
           4.2 2.21 2.21
! peak number c 2423  F1=  1.813  F2=  2.857   null   null  d=  4.7
assi (( resid  31 and name HB2 
      ))
     (( resid  39 and name HE2 
      ))
           4.7 2.76 2.76
! peak number c 2289  F1=  3.114  F2=  1.484   null   null  d=  2.9
assi (( resid  31 and name HD* 
      ))
     (( resid  31 and name HG* 
      ))
           2.9 1.05 1.05
! peak number c 2331  F1=  3.111  F2=  0.620   null   null  d=  4.0
assi (( resid  31 and name HD* 
      ))
     (( resid  33 and name HG1* 
      ))
           4 2.00 2.00
! peak number c 2291  F1=  0.829  F2=  3.106   null   null  d=  3.2
assi (( resid  31 and name HD* 
      ))
     (( resid  33 and name HG2* 
      ))
           3.2 1.24 1.24
! peak number c 2286  F1=  9.034  F2=  1.475   null   null  d=  3.3
assi (( resid  31 and name HG* 
      ))
     (( resid  32 and name HN 
      ))
           3.3 1.40 1.40
! peak number c 3156  F1=  2.850  F2=  1.499   null   null  d=  3.1
assi (( resid  31 and name HG* 
      ))
     (( resid  39 and name HE2 
      ))
           3.1 1.20 1.20
! peak number c 3718  F1=  7.610  F2=  0.623   null   null  d=  4.2
assi (( resid  31 and name HN 
      ))
     (( resid  33 and name HG1* 
      ))
           4.2 2.21 2.21
! peak number n 792  F1=  0.870  F2=  7.642   null   null  d=  3.6
assi (( resid  31 and name HN 
      ))
     (( resid  33 and name HG2*) or ( resid 10 and name HG1* 
      ))
           3.6 1.62 1.62
! peak number n 786  F1=  4.835  F2=  7.640   null   null  d=  3.5
assi (( resid  31 and name HN 
      ))
     (( resid  39 and name HA) or ( resid 38 and name HA 
      ))
           3.5 1.53 1.53
! peak number c 2404  F1=  7.619  F2=  1.481   null   null  d=  4.8
assi (( resid  31 and name HN 
      ))
     (( resid  39 and name HB1 
      ))
           4.8 2.88 2.88
! peak number n 790  F1=  1.522  F2=  7.643   null   null  d=  3.3
assi (( resid  31 and name HN 
      ))
     (( resid  39 and name HB1) or ( resid 31 and name HG* 
      ))
           3.3 1.36 1.36
! peak number c 2393  F1=  7.601  F2=  1.701   null   null  d=  4.0
assi (( resid  31 and name HN 
      ))
     (( resid  39 and name HB2 
      ))
           4 2.05 2.05
! peak number c 3791  F1=  7.603  F2=  1.247   null   null  d=  4.9
assi (( resid  31 and name HN 
      ))
     (( resid  39 and name HG* 
      ))
           4.9 3.00 3.00
! peak number n 1287  F1=  7.642  F2=  9.070   null   null  d=  3.5
assi (( resid  31 and name HN 
      ))
     (( resid  39 and name HN 
      ))
           3.5 0.86 0.86
! peak number c 2446  F1=  7.590  F2=  0.998   null   null  d=  4.5
assi (( resid  31 and name HN 
      ))
     (( resid  40 and name HB1 
      ))
           4.5 2.53 2.53
! peak number c 2447  F1=  7.591  F2=  1.422   null   null  d=  5.0
assi (( resid  31 and name HN 
      ))
     (( resid  40 and name HB2 
      ))
           5 3.12 3.12
! peak number c 3911  F1=  7.595  F2=  0.402   null   null  d=  4.1
assi (( resid  31 and name HN 
      ))
     (( resid  40 and name HD1* 
      ))
           4.09 2.10 2.10
! peak number c 15  F1=  2.973  F2=  4.676   null   null  d=  3.6
assi (( resid  32 and name HA 
      ))
     (( resid  32 and name HB1 
      ))
           3.6 1.62 1.62
! peak number c 14  F1=  2.536  F2=  4.676   null   null  d=  3.9
assi (( resid  32 and name HA 
      ))
     (( resid  32 and name HB2 
      ))
           3.9 1.90 1.90
! peak number n 109  F1=  4.748  F2=  9.038   null   null  d=  2.8
assi (( resid  32 and name HA 
      ))
     (( resid  32 and name HN 
      ))
           2.8 0.70 0.70
! peak number n 993  F1=  4.720  F2=  7.414   null   null  d=  2.8
assi (( resid  32 and name HA 
      ))
     (( resid  33 and name HN 
      ))
           2.8 0.70 0.70
! peak number c 2370  F1=  4.685  F2=  1.598   null   null  d=  4.8
assi (( resid  32 and name HA 
      ))
     (( resid  37 and name HB2 
      ))
           4.8 2.88 2.88
! peak number c 19  F1=  4.799  F2=  4.661   null   null  d=  3.5
assi (( resid  32 and name HA 
      ))
     (( resid  38 and name HA 
      ))
           3.5 0.89 0.89
! peak number c 2300  F1=  2.536  F2=  2.974   null   null  d=  2.5
assi (( resid  32 and name HB1 
      ))
     (( resid  32 and name HB2 
      ))
           2.5 0.75 0.75
! peak number c 2294  F1=  9.019  F2=  2.969   null   null  d=  3.0
assi (( resid  32 and name HB1 
      ))
     (( resid  32 and name HN 
      ))
           3 1.12 1.12
! peak number n 995  F1=  2.998  F2=  7.413   null   null  d=  3.8
assi (( resid  32 and name HB1 
      ))
     (( resid  33 and name HN 
      ))
           3.8 1.80 1.80
! peak number c 2295  F1=  9.032  F2=  2.523   null   null  d=  3.1
assi (( resid  32 and name HB2 
      ))
     (( resid  32 and name HN 
      ))
           3.1 1.20 1.20
! peak number c 3872  F1=  7.384  F2=  2.527   null   null  d=  4.5
assi (( resid  32 and name HB2 
      ))
     (( resid  33 and name HN 
      ))
           4.5 2.53 2.53
! peak number c 131  F1=  2.044  F2=  4.112   null   null  d=  3.0
assi (( resid  33 and name HA 
      ))
     (( resid  33 and name HB 
      ))
           3 1.12 1.12
! peak number c 129  F1=  0.624  F2=  4.108   null   null  d=  3.1
assi (( resid  33 and name HA 
      ))
     (( resid  33 and name HG1* 
      ))
           3.1 1.20 1.20
! peak number c 130  F1=  0.817  F2=  4.110   null   null  d=  3.1
assi (( resid  33 and name HA 
      ))
     (( resid  33 and name HG2* 
      ))
           3.1 1.20 1.20
! peak number n 992  F1=  4.136  F2=  7.413   null   null  d=  3.3
assi (( resid  33 and name HA 
      ))
     (( resid  33 and name HN 
      ))
           3.3 0.82 0.82
! peak number n 349  F1=  4.122  F2=  7.891   null   null  d=  3.0
assi (( resid  33 and name HA 
      ))
     (( resid  34 and name HN 
      ))
           3 0.75 0.75
! peak number c 2305  F1=  0.635  F2=  2.030   null   null  d=  2.8
assi (( resid  33 and name HB 
      ))
     (( resid  33 and name HG1* 
      ))
           2.8 0.98 0.98
! peak number c 2306  F1=  0.837  F2=  2.029   null   null  d=  2.8
assi (( resid  33 and name HB 
      ))
     (( resid  33 and name HG2* 
      ))
           2.8 0.95 0.95
! peak number c 2310  F1=  7.405  F2=  2.032   null   null  d=  3.3
assi (( resid  33 and name HB 
      ))
     (( resid  33 and name HN 
      ))
           3.3 1.36 1.36
! peak number c 2308  F1=  1.391  F2=  2.033   null   null  d=  4.3
assi (( resid  33 and name HB 
      ))
     (( resid  37 and name HB1 
      ))
           4.3 2.31 2.31
! peak number c 2307  F1=  1.609  F2=  2.033   null   null  d=  3.7
assi (( resid  33 and name HB 
      ))
     (( resid  37 and name HB2 
      ))
           3.7 1.71 1.71
! peak number c 3243  F1=  7.853  F2=  2.004   null   null  d=  3.1
assi (( resid  33 and name HB) or ( resid 100 and name HB1 
      ))
     (( resid  34 and name HN) or ( resid 100 and name HN 
      ))
           3.1 1.20 1.20
! peak number c 2339  F1=  0.837  F2=  0.621   null   null  d=  2.5
assi (( resid  33 and name HG1* 
      ))
     (( resid  33 and name HG2* 
      ))
           2.5 0.78 0.78
! peak number c 2326  F1=  7.412  F2=  0.621   null   null  d=  2.9
assi (( resid  33 and name HG1* 
      ))
     (( resid  33 and name HN 
      ))
           2.9 1.05 1.05
! peak number c 2327  F1=  7.862  F2=  0.619   null   null  d=  3.2
assi (( resid  33 and name HG1* 
      ))
     (( resid  34 and name HN 
      ))
           3.2 1.28 1.28
! peak number c 2337  F1=  1.409  F2=  0.620   null   null  d=  3.2
assi (( resid  33 and name HG1* 
      ))
     (( resid  37 and name HB1 
      ))
           3.2 1.28 1.28
! peak number c 2336  F1=  1.613  F2=  0.620   null   null  d=  3.0
assi (( resid  33 and name HG1* 
      ))
     (( resid  37 and name HB2 
      ))
           3 1.09 1.09
! peak number c 2252  F1=  0.624  F2=  1.561   null   null  d=  3.2
assi (( resid  33 and name HG1* 
      ))
     (( resid  37 and name HD* 
      ))
           3.2 1.28 1.28
! peak number c 2332  F1=  2.890  F2=  0.619   null   null  d=  3.7
assi (( resid  33 and name HG1* 
      ))
     (( resid  37 and name HE2 
      ))
           3.7 1.71 1.71
! peak number c 3103  F1=  0.613  F2=  1.303   null   null  d=  3.8
assi (( resid  33 and name HG1* 
      ))
     (( resid  37 and name HG1 
      ))
           3.8 1.80 1.80
! peak number c 3782  F1=  0.614  F2=  1.203   null   null  d=  4.6
assi (( resid  33 and name HG1* 
      ))
     (( resid  37 and name HG2 
      ))
           4.59 2.64 2.64
! peak number n 799  F1=  0.653  F2=  7.367   null   null  d=  3.4
assi (( resid  33 and name HG1* 
      ))
     (( resid  37 and name HN 
      ))
           3.4 1.44 1.44
! peak number c 157  F1=  0.615  F2=  4.806   null   null  d=  3.7
assi (( resid  33 and name HG1* 
      ))
     (( resid  38 and name HA 
      ))
           3.7 1.71 1.71
! peak number c 2387  F1=  0.600  F2=  2.365   null   null  d=  3.6
assi (( resid  33 and name HG1* 
      ))
     (( resid  38 and name HB1 
      ))
           3.6 1.62 1.62
! peak number c 3717  F1=  8.822  F2=  0.619   null   null  d=  4.1
assi (( resid  33 and name HG1* 
      ))
     (( resid  38 and name HN 
      ))
           4.09 2.10 2.10
! peak number c 2400  F1=  0.619  F2=  1.481   null   null  d=  3.8
assi (( resid  33 and name HG1* 
      ))
     (( resid  39 and name HB1 
      ))
           3.8 1.80 1.80
! peak number c 2403  F1=  0.626  F2=  1.701   null   null  d=  4.5
assi (( resid  33 and name HG1* 
      ))
     (( resid  39 and name HB2 
      ))
           4.5 2.53 2.53
! peak number c 2428  F1=  0.612  F2=  2.703   null   null  d=  4.4
assi (( resid  33 and name HG1* 
      ))
     (( resid  39 and name HE1 
      ))
           4.4 2.42 2.42
! peak number c 2419  F1=  0.616  F2=  2.855   null   null  d=  4.8
assi (( resid  33 and name HG1* 
      ))
     (( resid  39 and name HE2 
      ))
           4.8 2.88 2.88
! peak number c 2338  F1=  1.249  F2=  0.619   null   null  d=  3.4
assi (( resid  33 and name HG1* 
      ))
     (( resid  39 and name HG* 
      ))
           3.4 1.44 1.44
! peak number c 2328  F1=  9.052  F2=  0.621   null   null  d=  3.2
assi (( resid  33 and name HG1* 
      ))
     (( resid  39 and name HN 
      ))
           3.2 1.24 1.24
! peak number c 3901  F1=  0.611  F2=  0.398   null   null  d=  2.9
assi (( resid  33 and name HG1* 
      ))
     (( resid  40 and name HD1* 
      ))
           2.9 1.05 1.05
! peak number c 3797  F1=  0.592  F2=  1.269   null   null  d=  4.5
assi (( resid  33 and name HG1* 
      ))
     (( resid  40 and name HG 
      ))
           4.5 2.53 2.53
! peak number c 2340  F1=  5.572  F2=  0.619   null   null  d=  4.2
assi (( resid  33 and name HG1* 
      ))
     (( resid  49 and name HA 
      ))
           4.2 2.21 2.21
! peak number c 2590  F1=  0.614  F2=  1.276   null   null  d=  2.8
assi (( resid  33 and name HG1* 
      ))
     (( resid  50 and name HG1* 
      ))
           2.8 0.98 0.98
! peak number c 3715  F1=  9.576  F2=  0.618   null   null  d=  4.7
assi (( resid  33 and name HG1* 
      ))
     (( resid  50 and name HN 
      ))
           4.7 2.76 2.76
! peak number c 219  F1=  0.594  F2=  3.795   null   null  d=  4.1
assi (( resid  33 and name HG1* 
      ))
     (( resid  52 and name HA1 
      ))
           4.09 2.10 2.10
! peak number c 2630  F1=  0.594  F2=  4.157   null   null  d=  3.7
assi (( resid  33 and name HG1* 
      ))
     (( resid  52 and name HA2 
      ))
           3.7 1.71 1.71
! peak number c 2315  F1=  7.393  F2=  0.819   null   null  d=  3.5
assi (( resid  33 and name HG2* 
      ))
     (( resid  33 and name HN 
      ))
           3.5 1.58 1.58
! peak number c 132  F1=  0.845  F2=  4.270   null   null  d=  5.4 dist trop loin
! peak number n 354  F1=  0.856  F2=  7.886   null   null  d=  3.6
assi (( resid  33 and name HG2* 
      ))
     (( resid  34 and name HN 
      ))
           3.6 1.62 1.62
! peak number c 2401  F1=  0.831  F2=  1.485   null   null  d=  3.4
assi (( resid  33 and name HG2* 
      ))
     (( resid  39 and name HB1 
      ))
           3.4 1.44 1.44
! peak number c 2402  F1=  0.839  F2=  1.701   null   null  d=  4.6
assi (( resid  33 and name HG2* 
      ))
     (( resid  39 and name HB2 
      ))
           4.59 2.64 2.64
! peak number c 3746  F1=  9.058  F2=  0.820   null   null  d=  3.4
assi (( resid  33 and name HG2* 
      ))
     (( resid  39 and name HN 
      ))
           3.4 1.44 1.44
! peak number n 994  F1=  4.825  F2=  7.417   null   null  d=  3.5
assi (( resid  33 and name HN 
      ))
     (( resid  38 and name HA 
      ))
           3.5 0.88 0.88
! peak number n 999  F1=  6.866  F2=  7.415   null   null  d=  3.6
assi (( resid  33 and name HN 
      ))
     (( resid  38 and name HD* 
      ))
           3.6 1.62 1.62
! peak number n 1002  F1=  9.056  F2=  7.414   null   null  d=  3.6
assi (( resid  33 and name HN 
      ))
     (( resid  39 and name HN 
      ))
           3.6 0.90 0.90
! peak number c 135  F1=  3.706  F2=  4.276   null   null  d=  2.8
assi (( resid  34 and name HA1 
      ))
     (( resid  34 and name HA2 
      ))
           2.8 0.71 0.71
! peak number c 2342  F1=  7.898  F2=  4.262   null   null  d=  2.9
assi (( resid  34 and name HA1 
      ))
     (( resid  34 and name HN 
      ))
           2.9 0.71 0.71
! peak number c 138  F1=  3.907  F2=  4.283   null   null  d=  5.4 dist trop loin
! peak number c 2357  F1=  4.269  F2=  1.349   null   null  d=  3.3
assi (( resid  34 and name HA1 
      ))
     (( resid  35 and name HB* 
      ))
           3.3 1.36 1.36
! peak number c 133  F1=  1.335  F2=  4.280   null   null  d=  4.8
assi (( resid  34 and name HA1 
      ))
     (( resid  37 and name HG1 
      ))
           4.8 2.88 2.88
! peak number c 2343  F1=  7.873  F2=  3.697   null   null  d=  2.9
assi (( resid  34 and name HA2 
      ))
     (( resid  34 and name HN 
      ))
           2.9 0.73 0.73
! peak number c 137  F1=  3.898  F2=  3.710   null   null  d=  4.8
assi (( resid  34 and name HA2 
      ))
     (( resid  35 and name HA 
      ))
           4.8 1.21 1.21
! peak number n 885  F1=  3.731  F2=  8.627   null   null  d=  3.9
assi (( resid  34 and name HA2 
      ))
     (( resid  35 and name HN 
      ))
           3.9 0.97 0.97
! peak number c 134  F1=  1.307  F2=  3.708   null   null  d=  5.2
assi (( resid  34 and name HA2 
      ))
     (( resid  37 and name HG1 
      ))
           5.2 3.38 3.38
! peak number c 140  F1=  1.325  F2=  3.891   null   null  d=  2.8
assi (( resid  35 and name HA 
      ))
     (( resid  35 and name HB* 
      ))
           2.8 0.98 0.98
! peak number n 886  F1=  3.917  F2=  8.625   null   null  d=  3.4
assi (( resid  35 and name HA 
      ))
     (( resid  35 and name HN 
      ))
           3.4 0.85 0.85
! peak number n 274  F1=  3.917  F2=  8.289   null   null  d=  3.2
assi (( resid  35 and name HA 
      ))
     (( resid  36 and name HN 
      ))
           3.2 0.80 0.80
! peak number c 139  F1=  1.199  F2=  3.888   null   null  d=  5.0
assi (( resid  35 and name HA 
      ))
     (( resid  37 and name HG2 
      ))
           5 3.12 3.12
! peak number c 2349  F1=  8.632  F2=  1.330   null   null  d=  3.7
assi (( resid  35 and name HB* 
      ))
     (( resid  35 and name HN 
      ))
           3.7 1.71 1.71
! peak number c 2355  F1=  3.678  F2=  1.331   null   null  d=  3.6
assi (( resid  35 and name HB* 
      ))
     (( resid  36 and name HA1) or ( resid 34 and name HA2 
      ))
           3.6 1.62 1.62
! peak number c 2350  F1=  8.319  F2=  1.328   null   null  d=  3.8
assi (( resid  35 and name HB* 
      ))
     (( resid  36 and name HN 
      ))
           3.8 1.80 1.80
! peak number c 3802  F1=  4.932  F2=  1.334   null   null  d=  4.8
assi (( resid  35 and name HB* 
      ))
     (( resid  37 and name HA 
      ))
           4.8 2.88 2.88
! peak number c 2356  F1=  2.869  F2=  1.332   null   null  d=  3.6
assi (( resid  35 and name HB* 
      ))
     (( resid  37 and name HE1 
      ))
           3.6 1.62 1.62
! peak number c 2351  F1=  7.344  F2=  1.334   null   null  d=  3.9
assi (( resid  35 and name HB* 
      ))
     (( resid  37 and name HN 
      ))
           3.9 1.90 1.90
! peak number n 884  F1=  1.355  F2=  8.630   null   null  d=  3.2
assi (( resid  35 and name HN 
      ))
     (( resid  37 and name HG1) or ( resid 35 and name HB* 
      ))
           3.2 1.28 1.28
! peak number c 145  F1=  4.086  F2=  3.646   null   null  d=  2.5
assi (( resid  36 and name HA1 
      ))
     (( resid  36 and name HA2 
      ))
           2.5 0.64 0.64
! peak number c 2358  F1=  8.304  F2=  3.651   null   null  d=  3.1
assi (( resid  36 and name HA1 
      ))
     (( resid  36 and name HN 
      ))
           3.1 0.78 0.78
! peak number n 805  F1=  3.672  F2=  7.371   null   null  d=  3.0
assi (( resid  36 and name HA1 
      ))
     (( resid  37 and name HN 
      ))
           3 0.75 0.75
! peak number c 2359  F1=  8.309  F2=  4.086   null   null  d=  3.2
assi (( resid  36 and name HA2 
      ))
     (( resid  36 and name HN 
      ))
           3.2 0.81 0.81
! peak number n 806  F1=  4.117  F2=  7.371   null   null  d=  3.1
assi (( resid  36 and name HA2 
      ))
     (( resid  37 and name HN 
      ))
           3.1 0.78 0.78
! peak number c 148  F1=  0.944  F2=  4.099   null   null  d=  4.4
assi (( resid  36 and name HA2 
      ))
     (( resid  51 and name HD1* 
      ))
           4.4 2.42 2.42
! peak number n 277  F1=  1.356  F2=  8.291   null   null  d=  3.6
assi (( resid  36 and name HN 
      ))
     (( resid  37 and name HG1) or ( resid 35 and name HB* 
      ))
           3.6 1.62 1.62
! peak number n 278  F1=  7.368  F2=  8.285   null   null  d=  2.9
assi (( resid  36 and name HN 
      ))
     (( resid  37 and name HN 
      ))
           2.9 0.72 0.72
! peak number c 152  F1=  1.389  F2=  4.946   null   null  d=  4.0
assi (( resid  37 and name HA 
      ))
     (( resid  37 and name HB1 
      ))
           4 1.95 1.95
! peak number c 153  F1=  1.603  F2=  4.944   null   null  d=  3.6
assi (( resid  37 and name HA 
      ))
     (( resid  37 and name HB2 
      ))
           3.6 1.62 1.62
! peak number c 2249  F1=  4.931  F2=  1.563   null   null  d=  3.4
assi (( resid  37 and name HA 
      ))
     (( resid  37 and name HD* 
      ))
           3.4 1.44 1.44
! peak number c 151  F1=  1.306  F2=  4.947   null   null  d=  3.6
assi (( resid  37 and name HA 
      ))
     (( resid  37 and name HG1 
      ))
           3.6 1.62 1.62
! peak number n 808  F1=  4.955  F2=  7.376   null   null  d=  3.0
assi (( resid  37 and name HA 
      ))
     (( resid  37 and name HN 
      ))
           3 0.75 0.75
! peak number n 747  F1=  4.957  F2=  8.836   null   null  d=  2.7
assi (( resid  37 and name HA 
      ))
     (( resid  38 and name HN 
      ))
           2.7 0.68 0.68
! peak number c 149  F1=  0.957  F2=  4.945   null   null  d=  3.4
assi (( resid  37 and name HA 
      ))
     (( resid  51 and name HD1* 
      ))
           3.4 1.40 1.40
! peak number n 1292  F1=  4.961  F2=  8.997   null   null  d=  4.5
assi (( resid  37 and name HA 
      ))
     (( resid  52 and name HN 
      ))
           4.5 1.12 1.12
! peak number c 2365  F1=  1.375  F2=  1.608   null   null  d=  2.7
assi (( resid  37 and name HB1 
      ))
     (( resid  37 and name HB2 
      ))
           2.7 0.91 0.91
! peak number c 2377  F1=  2.898  F2=  1.391   null   null  d=  4.3
assi (( resid  37 and name HB1 
      ))
     (( resid  37 and name HE2 
      ))
           4.3 2.31 2.31
! peak number c 2374  F1=  7.375  F2=  1.394   null   null  d=  3.2
assi (( resid  37 and name HB1 
      ))
     (( resid  37 and name HN 
      ))
           3.2 1.28 1.28
! peak number c 2376  F1=  8.836  F2=  1.403   null   null  d=  3.8
assi (( resid  37 and name HB1 
      ))
     (( resid  38 and name HN 
      ))
           3.8 1.76 1.76
! peak number c 2559  F1=  1.398  F2=  2.586   null   null  d=  4.1
assi (( resid  37 and name HB1 
      ))
     (( resid  49 and name HB2 
      ))
           4.09 2.10 2.10
! peak number c 3811  F1=  1.069  F2=  1.392   null   null  d=  3.8
assi (( resid  37 and name HB1 
      ))
     (( resid  50 and name HG2* 
      ))
           3.8 1.80 1.80
! peak number c 2371  F1=  4.723  F2=  1.391   null   null  d=  4.8
assi (( resid  37 and name HB1 
      ))
     (( resid  51 and name HA 
      ))
           4.8 2.88 2.88
! peak number c 2607  F1=  1.370  F2=  1.734   null   null  d=  3.8
assi (( resid  37 and name HB1 
      ))
     (( resid  51 and name HB1 
      ))
           3.8 1.80 1.80
! peak number n 327  F1=  1.445  F2=  8.979   null   null  d=  4.0
assi (( resid  37 and name HB1 
      ))
     (( resid  52 and name HN 
      ))
           4 2.00 2.00
! peak number c 2379  F1=  1.550  F2=  1.627   null   null  d=  3.2
assi (( resid  37 and name HB2 
      ))
     (( resid  37 and name HD* 
      ))
           3.2 1.28 1.28
! peak number c 2367  F1=  2.854  F2=  1.607   null   null  d=  3.5
assi (( resid  37 and name HB2 
      ))
     (( resid  37 and name HE1 
      ))
           3.5 1.53 1.53
! peak number c 2383  F1=  1.602  F2=  1.323   null   null  d=  2.4
assi (( resid  37 and name HB2 
      ))
     (( resid  37 and name HG1 
      ))
           2.4 0.72 0.72
! peak number c 2382  F1=  1.603  F2=  1.207   null   null  d=  2.4
assi (( resid  37 and name HB2 
      ))
     (( resid  37 and name HG2 
      ))
           2.4 0.72 0.72
! peak number c 2373  F1=  7.356  F2=  1.613   null   null  d=  3.0
assi (( resid  37 and name HB2 
      ))
     (( resid  37 and name HN 
      ))
           3 1.12 1.12
! peak number c 2375  F1=  8.829  F2=  1.611   null   null  d=  3.8
assi (( resid  37 and name HB2 
      ))
     (( resid  38 and name HN 
      ))
           3.8 1.76 1.76
! peak number c 2560  F1=  1.604  F2=  2.587   null   null  d=  3.7
assi (( resid  37 and name HB2 
      ))
     (( resid  49 and name HB2 
      ))
           3.7 1.71 1.71
! peak number c 2618  F1=  1.608  F2=  0.951   null   null  d=  2.7
assi (( resid  37 and name HB2 
      ))
     (( resid  51 and name HD1* 
      ))
           2.7 0.91 0.91
! peak number c 2557  F1=  1.555  F2=  2.199   null   null  d=  3.3
assi (( resid  37 and name HD* 
      ))
     (( resid  49 and name HB1 
      ))
           3.3 1.36 1.36
! peak number c 2384  F1=  2.585  F2=  1.568   null   null  d=  3.9
assi (( resid  37 and name HD* 
      ))
     (( resid  49 and name HB2 
      ))
           3.9 1.90 1.90
! peak number c 2253  F1=  0.928  F2=  1.556   null   null  d=  3.3
assi (( resid  37 and name HD* 
      ))
     (( resid  51 and name HD1* 
      ))
           3.3 1.36 1.36
! peak number c 2256  F1=  2.852  F2=  1.559   null   null  d=  2.3
assi (( resid  37 and name HD*) or ( resid 28 and name HD*) or ( resid 102 and name HD* 
      ))
     (( resid  37 and name HE1) or ( resid 28 and name HE*) or ( resid 102 and name HE* 
      ))
           2.29 0.66 0.66
! peak number c 2380  F1=  2.855  F2=  1.328   null   null  d=  3.2
assi (( resid  37 and name HE1 
      ))
     (( resid  37 and name HG1 
      ))
           3.2 1.28 1.28
! peak number c 2381  F1=  2.859  F2=  1.203   null   null  d=  3.2
assi (( resid  37 and name HE1 
      ))
     (( resid  37 and name HG2 
      ))
           3.2 1.28 1.28
! peak number c 2617  F1=  2.879  F2=  0.949   null   null  d=  3.2
assi (( resid  37 and name HE2) or ( resid 37 and name HE1 
      ))
     (( resid  51 and name HD1* 
      ))
           3.2 1.28 1.28
! peak number c 3780  F1=  1.338  F2=  1.211   null   null  d=  2.4
assi (( resid  37 and name HG1 
      ))
     (( resid  37 and name HG2 
      ))
           2.4 0.72 0.72
! peak number n 802  F1=  1.349  F2=  7.372   null   null  d=  2.7
assi (( resid  37 and name HG1 
      ))
     (( resid  37 and name HN 
      ))
           2.7 0.91 0.91
! peak number c 2608  F1=  1.345  F2=  1.840   null   null  d=  3.9
assi (( resid  37 and name HG1 
      ))
     (( resid  51 and name HB2 
      ))
           3.9 1.90 1.90
! peak number c 2620  F1=  1.327  F2=  0.951   null   null  d=  2.7
assi (( resid  37 and name HG1 
      ))
     (( resid  51 and name HD1* 
      ))
           2.7 0.91 0.91
! peak number n 328  F1=  1.357  F2=  8.985   null   null  d=  4.1
assi (( resid  37 and name HG1 
      ))
     (( resid  52 and name HN 
      ))
           4.09 2.10 2.10
! peak number n 800  F1=  1.168  F2=  7.371   null   null  d=  3.7
assi (( resid  37 and name HG2 
      ))
     (( resid  37 and name HN 
      ))
           3.7 1.71 1.71
! peak number n 811  F1=  8.859  F2=  7.373   null   null  d=  3.7
assi (( resid  37 and name HN 
      ))
     (( resid  38 and name HN 
      ))
           3.7 0.93 0.93
! peak number c 1148  F1=  7.383  F2=  6.872   null   null  d=  4.7
assi (( resid  37 and name HN) or ( resid 33 and name HN 
      ))
     (( resid  38 and name HD* 
      ))
           4.7 2.76 2.76
! peak number c 156  F1=  2.370  F2=  4.800   null   null  d=  4.2
assi (( resid  38 and name HA 
      ))
     (( resid  38 and name HB1 
      ))
           4.2 2.15 2.15
! peak number c 155  F1=  2.945  F2=  4.804   null   null  d=  4.1
assi (( resid  38 and name HA 
      ))
     (( resid  38 and name HB2 
      ))
           4.09 2.10 2.10
! peak number n 746  F1=  4.827  F2=  8.832   null   null  d=  3.5
assi (( resid  38 and name HA 
      ))
     (( resid  38 and name HN 
      ))
           3.5 0.88 0.88
! peak number n 211  F1=  4.832  F2=  9.068   null   null  d=  2.7
assi (( resid  38 and name HA 
      ))
     (( resid  39 and name HN 
      ))
           2.7 0.68 0.68
! peak number c 2667  F1=  4.832  F2=  1.950   null   null  d=  4.6
assi (( resid  38 and name HA 
      ))
     (( resid  56 and name HB2 
      ))
           4.59 2.64 2.64
! peak number c 1007  F1=  2.362  F2=  6.872   null   null  d=  3.9
assi (( resid  38 and name HB1 
      ))
     (( resid  38 and name HD* 
      ))
           3.9 1.90 1.90
! peak number c 1010  F1=  2.364  F2=  6.615   null   null  d=  5.6 dist trop loin
! peak number n 753  F1=  2.395  F2=  8.833   null   null  d=  3.6
assi (( resid  38 and name HB1 
      ))
     (( resid  38 and name HN 
      ))
           3.6 1.62 1.62
! peak number c 3906  F1=  2.340  F2=  0.397   null   null  d=  3.6
assi (( resid  38 and name HB1 
      ))
     (( resid  40 and name HD1* 
      ))
           3.6 1.62 1.62
! peak number c 1158  F1=  2.958  F2=  6.608   null   null  d=  4.4
assi (( resid  38 and name HB2 
      ))
     (( resid  38 and name HE* 
      ))
           4.4 2.42 2.42
! peak number n 754  F1=  2.966  F2=  8.836   null   null  d=  3.9
assi (( resid  38 and name HB2 
      ))
     (( resid  38 and name HN 
      ))
           3.9 1.90 1.90
! peak number c 2386  F1=  0.410  F2=  2.930   null   null  d=  3.3
assi (( resid  38 and name HB2 
      ))
     (( resid  40 and name HD1* 
      ))
           3.3 1.36 1.36
! peak number c 1146  F1=  6.606  F2=  6.872   null   null  d=  2.8
assi (( resid  38 and name HD* 
      ))
     (( resid  38 and name HE* 
      ))
           2.8 0.95 0.95
! peak number c 1147  F1=  8.820  F2=  6.872   null   null  d=  3.9
assi (( resid  38 and name HD* 
      ))
     (( resid  38 and name HN 
      ))
           3.9 1.90 1.90
! peak number c 1008  F1=  9.056  F2=  6.868   null   null  d=  3.7
assi (( resid  38 and name HD* 
      ))
     (( resid  39 and name HN 
      ))
           3.7 1.71 1.71
! peak number c 1142  F1=  0.370  F2=  6.868   null   null  d=  4.5
assi (( resid  38 and name HD* 
      ))
     (( resid  40 and name HD1* 
      ))
           4.5 2.53 2.53
! peak number c 1145  F1=  4.716  F2=  6.874   null   null  d=  3.3
assi (( resid  38 and name HD* 
      ))
     (( resid  51 and name HA 
      ))
           3.3 1.36 1.36
! peak number n 330  F1=  6.863  F2=  8.990   null   null  d=  4.1
assi (( resid  38 and name HD* 
      ))
     (( resid  52 and name HN 
      ))
           4.09 2.10 2.10
! peak number c 1306  F1=  1.980  F2=  6.890   null   null  d=  3.8
assi (( resid  38 and name HD* 
      ))
     (( resid  56 and name HB2 
      ))
           3.8 1.80 1.80
! peak number c 1143  F1=  0.589  F2=  6.872   null   null  d=  3.3
assi (( resid  38 and name HD* 
      ))
     (( resid  56 and name HD1* 
      ))
           3.3 1.36 1.36
! peak number n 752  F1=  6.618  F2=  8.838   null   null  d=  4.9
assi (( resid  38 and name HE* 
      ))
     (( resid  38 and name HN 
      ))
           4.9 3.00 3.00
! peak number c 1154  F1=  0.952  F2=  6.616   null   null  d=  5.1
assi (( resid  38 and name HE* 
      ))
     (( resid  51 and name HD1*) or ( resid 40 and name HB1) or ( resid 10 and name HG2* 
      ))
           5.09 3.25 3.25
! peak number c 1157  F1=  9.025  F2=  6.609   null   null  d=  4.3
assi (( resid  38 and name HE* 
      ))
     (( resid  51 and name HN) or ( resid 32 and name HN 
      ))
           4.3 2.31 2.31
! peak number c 1155  F1=  3.772  F2=  6.614   null   null  d=  4.6
assi (( resid  38 and name HE* 
      ))
     (( resid  52 and name HA1 
      ))
           4.59 2.64 2.64
! peak number n 331  F1=  6.618  F2=  8.997   null   null  d=  4.2
assi (( resid  38 and name HE* 
      ))
     (( resid  52 and name HN 
      ))
           4.2 2.21 2.21
! peak number c 1153  F1=  0.571  F2=  6.612   null   null  d=  4.2
assi (( resid  38 and name HE* 
      ))
     (( resid  56 and name HD1* 
      ))
           4.2 2.21 2.21
! peak number n 743  F1=  1.333  F2=  8.835   null   null  d=  3.9
assi (( resid  38 and name HN 
      ))
     (( resid  50 and name HG1* 
      ))
           3.9 1.90 1.90
! peak number n 252  F1=  8.837  F2=  9.613   null   null  d=  3.4
assi (( resid  38 and name HN 
      ))
     (( resid  50 and name HN 
      ))
           3.4 0.85 0.85
! peak number n 744  F1=  0.989  F2=  8.836   null   null  d=  3.6
assi (( resid  38 and name HN 
      ))
     (( resid  56 and name HB1) or ( resid 51 and name HD1* 
      ))
           3.6 1.62 1.62
! peak number c 523  F1=  1.494  F2=  4.861   null   null  d=  4.7
assi (( resid  39 and name HA 
      ))
     (( resid  39 and name HB1 
      ))
           4.7 2.76 2.76
! peak number c 2394  F1=  4.841  F2=  1.706   null   null  d=  4.3
assi (( resid  39 and name HA 
      ))
     (( resid  39 and name HB2 
      ))
           4.3 2.31 2.31
! peak number c 525  F1=  1.362  F2=  4.869   null   null  d=  5.4 dist trop loin
! peak number c 524  F1=  1.614  F2=  4.861   null   null  d=  4.7
assi (( resid  39 and name HA 
      ))
     (( resid  39 and name HD2 
      ))
           4.7 2.76 2.76
! peak number c 522  F1=  1.250  F2=  4.868   null   null  d=  3.6
assi (( resid  39 and name HA 
      ))
     (( resid  39 and name HG* 
      ))
           3.6 1.62 1.62
! peak number n 6  F1=  4.875  F2=  9.089   null   null  d=  2.7
assi (( resid  39 and name HA 
      ))
     (( resid  40 and name HN 
      ))
           2.7 0.68 0.68
! peak number c 2531  F1=  4.830  F2=  2.097   null   null  d=  3.9
assi (( resid  39 and name HA 
      ))
     (( resid  47 and name HG2 
      ))
           3.9 1.90 1.90
! peak number n 693  F1=  4.854  F2=  8.477   null   null  d=  3.5
assi (( resid  39 and name HA 
      ))
     (( resid  48 and name HN 
      ))
           3.5 0.88 0.88
! peak number c 160  F1=  5.571  F2=  4.859   null   null  d=  3.3
assi (( resid  39 and name HA 
      ))
     (( resid  49 and name HA 
      ))
           3.3 0.82 0.82
! peak number c 2553  F1=  4.830  F2=  2.190   null   null  d=  4.6
assi (( resid  39 and name HA 
      ))
     (( resid  49 and name HB1 
      ))
           4.59 2.64 2.64
! peak number n 250  F1=  4.870  F2=  9.606   null   null  d=  3.3
assi (( resid  39 and name HA 
      ))
     (( resid  50 and name HN 
      ))
           3.3 0.82 0.82
! peak number c 2453  F1=  4.830  F2=  1.267   null   null  d=  4.5
assi (( resid  39 and name HA) or ( resid 38 and name HA 
      ))
     (( resid  40 and name HG 
      ))
           4.5 2.53 2.53
! peak number c 2398  F1=  1.686  F2=  1.479   null   null  d=  3.9
assi (( resid  39 and name HB1 
      ))
     (( resid  39 and name HB2 
      ))
           3.9 1.90 1.90
! peak number c 3825  F1=  2.671  F2=  1.492   null   null  d=  4.2
assi (( resid  39 and name HB1 
      ))
     (( resid  39 and name HE1 
      ))
           4.2 2.21 2.21
! peak number c 3824  F1=  2.868  F2=  1.493   null   null  d=  4.4
assi (( resid  39 and name HB1 
      ))
     (( resid  39 and name HE2 
      ))
           4.4 2.42 2.42
! peak number c 2397  F1=  1.267  F2=  1.482   null   null  d=  3.2
assi (( resid  39 and name HB1 
      ))
     (( resid  39 and name HG* 
      ))
           3.2 1.28 1.28
! peak number c 2392  F1=  9.054  F2=  1.482   null   null  d=  3.4
assi (( resid  39 and name HB1 
      ))
     (( resid  39 and name HN 
      ))
           3.4 1.44 1.44
! peak number c 2395  F1=  4.791  F2=  1.474   null   null  d=  4.2
assi (( resid  39 and name HB1 
      ))
     (( resid  40 and name HA 
      ))
           4.2 2.21 2.21
! peak number c 2396  F1=  1.245  F2=  1.701   null   null  d=  3.3
assi (( resid  39 and name HB2 
      ))
     (( resid  39 and name HG* 
      ))
           3.3 1.36 1.36
! peak number c 2391  F1=  9.058  F2=  1.701   null   null  d=  3.7
assi (( resid  39 and name HB2 
      ))
     (( resid  39 and name HN 
      ))
           3.7 1.67 1.67
! peak number c 2411  F1=  1.371  F2=  1.586   null   null  d=  2.7
assi (( resid  39 and name HD1 
      ))
     (( resid  39 and name HD2 
      ))
           2.7 0.91 0.91
! peak number c 2413  F1=  2.703  F2=  1.353   null   null  d=  3.2
assi (( resid  39 and name HD1 
      ))
     (( resid  39 and name HE1 
      ))
           3.2 1.32 1.32
! peak number c 2414  F1=  2.862  F2=  1.355   null   null  d=  3.2
assi (( resid  39 and name HD1 
      ))
     (( resid  39 and name HE2 
      ))
           3.2 1.24 1.24
! peak number c 2417  F1=  1.238  F2=  1.365   null   null  d=  3.2
assi (( resid  39 and name HD1 
      ))
     (( resid  39 and name HG* 
      ))
           3.2 1.28 1.28
! peak number c 2558  F1=  1.350  F2=  2.198   null   null  d=  4.4
assi (( resid  39 and name HD1 
      ))
     (( resid  49 and name HB1 
      ))
           4.4 2.42 2.42
! peak number c 2415  F1=  2.685  F2=  1.611   null   null  d=  3.5
assi (( resid  39 and name HD2 
      ))
     (( resid  39 and name HE1 
      ))
           3.5 1.49 1.49
! peak number c 2416  F1=  2.865  F2=  1.591   null   null  d=  3.6
assi (( resid  39 and name HD2 
      ))
     (( resid  39 and name HE2 
      ))
           3.6 1.62 1.62
! peak number c 2418  F1=  1.245  F2=  1.576   null   null  d=  2.4
assi (( resid  39 and name HD2 
      ))
     (( resid  39 and name HG* 
      ))
           2.4 0.72 0.72
! peak number c 2429  F1=  2.698  F2=  2.859   null   null  d=  2.4
assi (( resid  39 and name HE1 
      ))
     (( resid  39 and name HE2 
      ))
           2.4 0.72 0.72
! peak number c 2406  F1=  2.688  F2=  1.241   null   null  d=  3.8
assi (( resid  39 and name HE1 
      ))
     (( resid  39 and name HG* 
      ))
           3.8 1.80 1.80
! peak number c 2433  F1=  9.052  F2=  2.694   null   null  d=  4.0
assi (( resid  39 and name HE1 
      ))
     (( resid  40 and name HN 
      ))
           4 2.00 2.00
! peak number c 2427  F1=  0.822  F2=  2.694   null   null  d=  4.4
assi (( resid  39 and name HE1 
      ))
     (( resid  41 and name HG 
      ))
           4.4 2.42 2.42
! peak number c 2424  F1=  1.812  F2=  2.698   null   null  d=  4.3
assi (( resid  39 and name HE1 
      ))
     (( resid  47 and name HB2) or ( resid 31 and name HB2 
      ))
           4.3 2.31 2.31
! peak number c 2960  F1=  2.108  F2=  2.729   null   null  d=  3.6
assi (( resid  39 and name HE1 
      ))
     (( resid  47 and name HG2 
      ))
           3.6 1.62 1.62
! peak number c 2430  F1=  4.754  F2=  2.870   null   null  d=  3.4
assi (( resid  39 and name HE2 
      ))
     (( resid  40 and name HA 
      ))
           3.4 1.44 1.44
! peak number c 2432  F1=  9.059  F2=  2.856   null   null  d=  5.1
assi (( resid  39 and name HE2 
      ))
     (( resid  40 and name HN) or ( resid 39 and name HN 
      ))
           5.09 3.25 3.25
! peak number c 2420  F1=  0.829  F2=  2.860   null   null  d=  4.7
assi (( resid  39 and name HE2 
      ))
     (( resid  41 and name HG) or ( resid 33 and name HG2* 
      ))
           4.7 2.76 2.76
! peak number c 3888  F1=  2.861  F2=  1.905   null   null  d=  4.7
assi (( resid  39 and name HE2 
      ))
     (( resid  47 and name HG1 
      ))
           4.7 2.76 2.76
! peak number c 2407  F1=  4.786  F2=  1.239   null   null  d=  3.0
assi (( resid  39 and name HG* 
      ))
     (( resid  40 and name HA 
      ))
           3 1.12 1.12
! peak number c 2409  F1=  9.063  F2=  1.247   null   null  d=  3.2
assi (( resid  39 and name HG* 
      ))
     (( resid  40 and name HN) or ( resid 39 and name HN 
      ))
           3.2 1.28 1.28
! peak number c 3793  F1=  2.121  F2=  1.248   null   null  d=  4.2
assi (( resid  39 and name HG* 
      ))
     (( resid  47 and name HG2 
      ))
           4.2 2.21 2.21
! peak number c 3790  F1=  8.462  F2=  1.245   null   null  d=  4.8
assi (( resid  39 and name HG* 
      ))
     (( resid  48 and name HN 
      ))
           4.8 2.88 2.88
! peak number c 3792  F1=  5.587  F2=  1.247   null   null  d=  4.0
assi (( resid  39 and name HG* 
      ))
     (( resid  49 and name HA 
      ))
           4 2.00 2.00
! peak number c 3795  F1=  9.577  F2=  1.261   null   null  d=  4.9
assi (( resid  39 and name HG* 
      ))
     (( resid  50 and name HN 
      ))
           4.9 3.00 3.00
! peak number c 2272  F1=  1.238  F2=  1.841   null   null  d=  4.6
assi (( resid  39 and name HG*) or ( resid 30 and name HG2*) or ( resid 102 and name HG1 
      ))
     (( resid  97 and name HB*) or ( resid 31 and name HB2 
      ))
           4.59 2.64 2.64
! peak number c 167  F1=  0.973  F2=  4.764   null   null  d=  3.8
assi (( resid  40 and name HA 
      ))
     (( resid  40 and name HB1 
      ))
           3.8 1.81 1.81
! peak number c 170  F1=  1.418  F2=  4.780   null   null  d=  4.0
assi (( resid  40 and name HA 
      ))
     (( resid  40 and name HB2 
      ))
           4 1.95 1.95
! peak number c 3909  F1=  4.778  F2=  0.399   null   null  d=  3.0
assi (( resid  40 and name HA 
      ))
     (( resid  40 and name HD1* 
      ))
           3 1.12 1.12
! peak number c 166  F1=  0.402  F2=  4.767   null   null  d=  3.7
assi (( resid  40 and name HA 
      ))
     (( resid  40 and name HD1*) or ( resid 14 and name HG1* 
      ))
           3.7 1.71 1.71
! peak number c 165  F1=  0.169  F2=  4.771   null   null  d=  4.5
assi (( resid  40 and name HA 
      ))
     (( resid  40 and name HD2* 
      ))
           4.5 2.53 2.53
! peak number c 169  F1=  1.264  F2=  4.775   null   null  d=  4.8
assi (( resid  40 and name HA 
      ))
     (( resid  40 and name HG) or ( resid 39 and name HG* 
      ))
           4.8 2.88 2.88
! peak number n 5  F1=  4.783  F2=  9.093   null   null  d=  2.9
assi (( resid  40 and name HA 
      ))
     (( resid  40 and name HN 
      ))
           2.9 0.72 0.72
! peak number n 1285  F1=  4.795  F2=  8.454   null   null  d=  2.9
assi (( resid  40 and name HA 
      ))
     (( resid  41 and name HN 
      ))
           2.9 0.72 0.72
! peak number c 79  F1=  0.870  F2=  4.793   null   null  d=  3.6
assi (( resid  40 and name HA) or ( resid 21 and name HA 
      ))
     (( resid  41 and name HG) or ( resid 113 and name HD2* 
      ))
           3.6 1.62 1.62
! peak number c 2436  F1=  1.023  F2=  1.422   null   null  d=  2.8
assi (( resid  40 and name HB1 
      ))
     (( resid  40 and name HB2 
      ))
           2.8 0.95 0.95
! peak number c 2438  F1=  0.403  F2=  1.005   null   null  d=  3.3
assi (( resid  40 and name HB1 
      ))
     (( resid  40 and name HD1* 
      ))
           3.3 1.40 1.40
! peak number c 2439  F1=  0.162  F2=  1.006   null   null  d=  4.0
assi (( resid  40 and name HB1 
      ))
     (( resid  40 and name HD2* 
      ))
           4 2.00 2.00
! peak number c 2448  F1=  1.272  F2=  1.004   null   null  d=  3.3
assi (( resid  40 and name HB1 
      ))
     (( resid  40 and name HG 
      ))
           3.3 1.36 1.36
! peak number c 2444  F1=  9.068  F2=  1.006   null   null  d=  3.5
assi (( resid  40 and name HB1 
      ))
     (( resid  40 and name HN 
      ))
           3.5 1.58 1.58
! peak number c 2445  F1=  8.435  F2=  1.005   null   null  d=  3.9
assi (( resid  40 and name HB1 
      ))
     (( resid  41 and name HN 
      ))
           3.9 1.90 1.90
! peak number c 2435  F1=  0.402  F2=  1.421   null   null  d=  3.6
assi (( resid  40 and name HB2 
      ))
     (( resid  40 and name HD1* 
      ))
           3.6 1.62 1.62
! peak number c 2434  F1=  0.172  F2=  1.418   null   null  d=  4.3
assi (( resid  40 and name HB2 
      ))
     (( resid  40 and name HD2* 
      ))
           4.3 2.31 2.31
! peak number c 3813  F1=  1.302  F2=  1.421   null   null  d=  3.1
assi (( resid  40 and name HB2 
      ))
     (( resid  40 and name HG 
      ))
           3.1 1.20 1.20
! peak number c 2443  F1=  9.072  F2=  1.412   null   null  d=  3.3
assi (( resid  40 and name HB2 
      ))
     (( resid  40 and name HN 
      ))
           3.3 1.36 1.36
! peak number c 2442  F1=  8.439  F2=  1.425   null   null  d=  4.0
assi (( resid  40 and name HB2 
      ))
     (( resid  41 and name HN 
      ))
           4 2.00 2.00
! peak number c 3900  F1=  0.194  F2=  0.398   null   null  d=  2.8
assi (( resid  40 and name HD1* 
      ))
     (( resid  40 and name HD2* 
      ))
           2.8 0.98 0.98
! peak number c 2450  F1=  0.409  F2=  1.273   null   null  d=  3.0
assi (( resid  40 and name HD1* 
      ))
     (( resid  40 and name HG 
      ))
           3 1.12 1.12
! peak number c 3914  F1=  9.067  F2=  0.400   null   null  d=  3.7
assi (( resid  40 and name HD1* 
      ))
     (( resid  40 and name HN 
      ))
           3.7 1.71 1.71
! peak number c 3916  F1=  1.649  F2=  0.398   null   null  d=  3.1
assi (( resid  40 and name HD1* 
      ))
     (( resid  41 and name HB2 
      ))
           3.1 1.20 1.20
! peak number c 3910  F1=  7.082  F2=  0.400   null   null  d=  5.0
assi (( resid  40 and name HD1* 
      ))
     (( resid  42 and name HZ 
      ))
           5 3.12 3.12
! peak number c 3917  F1=  1.915  F2=  0.398   null   null  d=  3.8
assi (( resid  40 and name HD1* 
      ))
     (( resid  47 and name HG1 
      ))
           3.8 1.80 1.80
! peak number c 202  F1=  0.417  F2=  4.611   null   null  d=  4.8
assi (( resid  40 and name HD1* 
      ))
     (( resid  48 and name HA 
      ))
           4.8 2.88 2.88
! peak number c 3907  F1=  2.934  F2=  0.398   null   null  d=  4.0
assi (( resid  40 and name HD1* 
      ))
     (( resid  48 and name HB2 
      ))
           4 2.00 2.00
! peak number c 3913  F1=  8.435  F2=  0.400   null   null  d=  3.8
assi (( resid  40 and name HD1* 
      ))
     (( resid  49 and name HN) or ( resid 41 and name HN 
      ))
           3.8 1.76 1.76
! peak number c 3905  F1=  2.071  F2=  0.398   null   null  d=  3.2
assi (( resid  40 and name HD1* 
      ))
     (( resid  50 and name HB) or ( resid 47 and name HG2 
      ))
           3.2 1.28 1.28
! peak number c 2589  F1=  0.405  F2=  1.274   null   null  d=  3.2
assi (( resid  40 and name HD1* 
      ))
     (( resid  50 and name HG1* 
      ))
           3.2 1.28 1.28
! peak number c 3915  F1=  9.561  F2=  0.398   null   null  d=  3.9
assi (( resid  40 and name HD1* 
      ))
     (( resid  50 and name HN 
      ))
           3.9 1.90 1.90
! peak number c 2449  F1=  0.184  F2=  1.271   null   null  d=  3.3
assi (( resid  40 and name HD2* 
      ))
     (( resid  40 and name HG 
      ))
           3.3 1.36 1.36
! peak number n 1009  F1=  0.208  F2=  8.452   null   null  d=  3.6
assi (( resid  40 and name HD2* 
      ))
     (( resid  41 and name HN 
      ))
           3.6 1.62 1.62
! peak number c 1167  F1=  0.181  F2=  7.598   null   null  d=  5.9 dist trop loin
! peak number c 2588  F1=  0.192  F2=  1.275   null   null  d=  3.6
assi (( resid  40 and name HD2* 
      ))
     (( resid  50 and name HG1* 
      ))
           3.6 1.62 1.62
! peak number c 2600  F1=  0.197  F2=  1.074   null   null  d=  3.3
assi (( resid  40 and name HD2* 
      ))
     (( resid  50 and name HG2* 
      ))
           3.3 1.36 1.36
! peak number c 3598  F1=  9.050  F2=  1.263   null   null  d=  3.8
assi (( resid  40 and name HG 
      ))
     (( resid  40 and name HN 
      ))
           3.8 1.80 1.80
! peak number c 2452  F1=  8.425  F2=  1.274   null   null  d=  4.5
assi (( resid  40 and name HG 
      ))
     (( resid  41 and name HN 
      ))
           4.5 2.53 2.53
! peak number c 2529  F1=  1.288  F2=  2.103   null   null  d=  4.0
assi (( resid  40 and name HG 
      ))
     (( resid  47 and name HG2 
      ))
           4 2.00 2.00
! peak number n 705  F1=  1.284  F2=  8.470   null   null  d=  3.7
assi (( resid  40 and name HG 
      ))
     (( resid  48 and name HN 
      ))
           3.7 1.71 1.71
! peak number c 2451  F1=  1.044  F2=  1.265   null   null  d=  3.5
assi (( resid  40 and name HG 
      ))
     (( resid  50 and name HG2* 
      ))
           3.5 1.53 1.53
! peak number c 3600  F1=  9.591  F2=  1.263   null   null  d=  5.3
assi (( resid  40 and name HG 
      ))
     (( resid  50 and name HN 
      ))
           5.3 3.51 3.51
! peak number c 2454  F1=  4.732  F2=  1.261   null   null  d=  4.7
assi (( resid  40 and name HG 
      ))
     (( resid  51 and name HA 
      ))
           4.7 2.76 2.76
! peak number c 206  F1=  1.246  F2=  5.584   null   null  d=  4.3
assi (( resid  40 and name HG) or ( resid 39 and name HG* 
      ))
     (( resid  49 and name HA 
      ))
           4.3 2.31 2.31
! peak number n 699  F1=  9.088  F2=  8.481   null   null  d=  3.3
assi (( resid  40 and name HN 
      ))
     (( resid  48 and name HN 
      ))
           3.3 0.84 0.84
! peak number n 7  F1=  5.603  F2=  9.093   null   null  d=  2.9
assi (( resid  40 and name HN 
      ))
     (( resid  49 and name HA 
      ))
           2.9 0.72 0.72
! peak number n 1267  F1=  9.601  F2=  9.089   null   null  d=  3.7
assi (( resid  40 and name HN 
      ))
     (( resid  50 and name HN 
      ))
           3.7 0.93 0.93
! peak number c 173  F1=  1.384  F2=  4.820   null   null  d=  4.2
assi (( resid  41 and name HA 
      ))
     (( resid  41 and name HB1 
      ))
           4.2 2.15 2.15
! peak number c 2457  F1=  4.784  F2=  1.644   null   null  d=  3.6
assi (( resid  41 and name HA 
      ))
     (( resid  41 and name HB2 
      ))
           3.6 1.62 1.62
! peak number c 172  F1=  0.842  F2=  4.827   null   null  d=  3.0
assi (( resid  41 and name HA 
      ))
     (( resid  41 and name HG 
      ))
           3 1.12 1.12
! peak number c 2487  F1=  4.795  F2=  3.366   null   null  d=  5.1
assi (( resid  41 and name HA 
      ))
     (( resid  42 and name HB1 
      ))
           5.09 3.25 3.25
! peak number c 2488  F1=  4.763  F2=  3.487   null   null  d=  4.1
assi (( resid  41 and name HA 
      ))
     (( resid  42 and name HB2 
      ))
           4.09 2.10 2.10
! peak number c 1085  F1=  4.819  F2=  7.345   null   null  d=  4.9
assi (( resid  41 and name HA 
      ))
     (( resid  42 and name HD* 
      ))
           4.9 3.00 3.00
! peak number c 1084  F1=  4.801  F2=  7.597   null   null  d=  5.9 dist trop loin
! peak number c 2532  F1=  4.786  F2=  1.909   null   null  d=  3.7
assi (( resid  41 and name HA 
      ))
     (( resid  47 and name HG1 
      ))
           3.7 1.71 1.71
! peak number c 2545  F1=  4.772  F2=  2.638   null   null  d=  4.1
assi (( resid  41 and name HA 
      ))
     (( resid  48 and name HB1 
      ))
           4.09 2.10 2.10
! peak number c 2546  F1=  4.775  F2=  2.913   null   null  d=  4.1
assi (( resid  41 and name HA) or ( resid 40 and name HA 
      ))
     (( resid  48 and name HB2 
      ))
           4.09 2.10 2.10
! peak number c 201  F1=  4.799  F2=  4.626   null   null  d=  4.3
assi (( resid  41 and name HA) or ( resid 40 and name HA) or ( resid 17 and name HA 
      ))
     (( resid  48 and name HA) or ( resid 23 and name HA 
      ))
           4.3 2.31 2.31
! peak number c 2464  F1=  1.394  F2=  1.644   null   null  d=  3.1
assi (( resid  41 and name HB1 
      ))
     (( resid  41 and name HB2 
      ))
           3.1 1.20 1.20
! peak number c 2461  F1=  0.838  F2=  1.368   null   null  d=  2.6
assi (( resid  41 and name HB1 
      ))
     (( resid  41 and name HG 
      ))
           2.6 0.84 0.84
! peak number c 2456  F1=  8.426  F2=  1.367   null   null  d=  3.5
assi (( resid  41 and name HB1 
      ))
     (( resid  41 and name HN 
      ))
           3.5 1.53 1.53
! peak number n 37  F1=  1.414  F2=  9.737   null   null  d=  3.3
assi (( resid  41 and name HB1 
      ))
     (( resid  42 and name HN 
      ))
           3.3 1.36 1.36
! peak number c 2460  F1=  0.836  F2=  1.643   null   null  d=  2.5
assi (( resid  41 and name HB2 
      ))
     (( resid  41 and name HG 
      ))
           2.5 0.75 0.75
! peak number c 2455  F1=  8.436  F2=  1.651   null   null  d=  3.6
assi (( resid  41 and name HB2 
      ))
     (( resid  41 and name HN 
      ))
           3.6 1.62 1.62
! peak number n 1004  F1=  0.872  F2=  8.448   null   null  d=  3.3
assi (( resid  41 and name HG 
      ))
     (( resid  41 and name HN 
      ))
           3.3 1.36 1.36
! peak number c 2484  F1=  9.721  F2=  0.839   null   null  d=  3.0
assi (( resid  41 and name HG 
      ))
     (( resid  42 and name HN 
      ))
           3 1.12 1.12
! peak number c 2476  F1=  3.594  F2=  0.834   null   null  d=  3.3
assi (( resid  41 and name HG 
      ))
     (( resid  45 and name HA1 
      ))
           3.3 1.36 1.36
! peak number c 38  F1=  0.846  F2=  4.392   null   null  d=  3.4
assi (( resid  41 and name HG 
      ))
     (( resid  45 and name HA2 
      ))
           3.4 1.44 1.44
! peak number n 316  F1=  0.877  F2=  8.431   null   null  d=  3.1
assi (( resid  41 and name HG 
      ))
     (( resid  45 and name HN 
      ))
           3.1 1.20 1.20
! peak number c 2483  F1=  8.430  F2=  0.837   null   null  d=  3.1
assi (( resid  41 and name HG 
      ))
     (( resid  45 and name HN) or ( resid 41 and name HN 
      ))
           3.1 1.20 1.20
! peak number n 1146  F1=  0.855  F2=  7.826   null   null  d=  3.4
assi (( resid  41 and name HG 
      ))
     (( resid  46 and name HN 
      ))
           3.4 1.44 1.44
! peak number c 192  F1=  0.841  F2=  5.641   null   null  d=  3.6
assi (( resid  41 and name HG 
      ))
     (( resid  47 and name HA 
      ))
           3.6 1.67 1.67
! peak number c 2516  F1=  0.824  F2=  1.770   null   null  d=  3.1
assi (( resid  41 and name HG 
      ))
     (( resid  47 and name HB1 
      ))
           3.1 1.20 1.20
! peak number c 2473  F1=  1.853  F2=  0.833   null   null  d=  2.3
assi (( resid  41 and name HG 
      ))
     (( resid  47 and name HB2 
      ))
           2.29 0.66 0.66
! peak number c 2525  F1=  0.825  F2=  1.906   null   null  d=  3.9
assi (( resid  41 and name HG 
      ))
     (( resid  47 and name HG1 
      ))
           3.9 1.90 1.90
! peak number c 2472  F1=  2.104  F2=  0.835   null   null  d=  3.5
assi (( resid  41 and name HG 
      ))
     (( resid  47 and name HG2 
      ))
           3.5 1.58 1.58
! peak number n 703  F1=  0.867  F2=  8.476   null   null  d=  3.5
assi (( resid  41 and name HG 
      ))
     (( resid  48 and name HN 
      ))
           3.5 1.53 1.53
! peak number c 178  F1=  3.469  F2=  4.840   null   null  d=  4.9
assi (( resid  42 and name HA 
      ))
     (( resid  42 and name HB2 
      ))
           4.9 3.00 3.00
! peak number n 40  F1=  4.844  F2=  9.734   null   null  d=  2.7
assi (( resid  42 and name HA 
      ))
     (( resid  42 and name HN 
      ))
           2.7 0.68 0.68
! peak number n 1140  F1=  4.859  F2=  8.790   null   null  d=  3.0
assi (( resid  42 and name HA 
      ))
     (( resid  43 and name HN 
      ))
           3 0.75 0.75
! peak number n 564  F1=  4.851  F2=  8.387   null   null  d=  3.5
assi (( resid  42 and name HA 
      ))
     (( resid  44 and name HN 
      ))
           3.5 0.88 0.88
! peak number c 2490  F1=  7.341  F2=  3.374   null   null  d=  3.8
assi (( resid  42 and name HB1 
      ))
     (( resid  42 and name HD* 
      ))
           3.8 1.80 1.80
! peak number c 2492  F1=  9.723  F2=  3.361   null   null  d=  4.0
assi (( resid  42 and name HB1 
      ))
     (( resid  42 and name HN 
      ))
           4 2.00 2.00
! peak number n 559  F1=  3.411  F2=  8.385   null   null  d=  4.2
assi (( resid  42 and name HB1 
      ))
     (( resid  44 and name HN 
      ))
           4.2 2.21 2.21
! peak number c 2486  F1=  2.877  F2=  3.343   null   null  d=  4.6
assi (( resid  42 and name HB1 
      ))
     (( resid  46 and name HB2 
      ))
           4.59 2.64 2.64
! peak number n 1149  F1=  3.404  F2=  7.826   null   null  d=  3.8
assi (( resid  42 and name HB1 
      ))
     (( resid  46 and name HN 
      ))
           3.8 1.80 1.80
! peak number c 1087  F1=  3.447  F2=  7.347   null   null  d=  3.6
assi (( resid  42 and name HB2 
      ))
     (( resid  42 and name HD* 
      ))
           3.6 1.67 1.67
! peak number c 2491  F1=  9.704  F2=  3.480   null   null  d=  4.0
assi (( resid  42 and name HB2 
      ))
     (( resid  42 and name HN 
      ))
           4 2.00 2.00
! peak number n 1135  F1=  3.516  F2=  8.788   null   null  d=  3.3
assi (( resid  42 and name HB2 
      ))
     (( resid  43 and name HN 
      ))
           3.3 1.36 1.36
! peak number n 560  F1=  3.524  F2=  8.389   null   null  d=  3.7
assi (( resid  42 and name HB2 
      ))
     (( resid  44 and name HN 
      ))
           3.7 1.71 1.71
! peak number c 1086  F1=  3.455  F2=  7.596   null   null  d=  4.5
assi (( resid  42 and name HB2) or ( resid 25 and name HB2 
      ))
     (( resid  42 and name HE* 
      ))
           4.5 2.53 2.53
! peak number c 1079  F1=  7.344  F2=  7.597   null   null  d=  3.2
assi (( resid  42 and name HD* 
      ))
     (( resid  42 and name HE* 
      ))
           3.2 1.24 1.24
! peak number c 1171  F1=  9.719  F2=  7.347   null   null  d=  4.0
assi (( resid  42 and name HD* 
      ))
     (( resid  42 and name HN 
      ))
           4 2.05 2.05
! peak number c 1076  F1=  7.311  F2=  7.103   null   null  d=  4.8
assi (( resid  42 and name HD* 
      ))
     (( resid  42 and name HZ 
      ))
           4.8 2.88 2.88
! peak number n 1141  F1=  7.357  F2=  8.783   null   null  d=  3.5
assi (( resid  42 and name HD* 
      ))
     (( resid  43 and name HN 
      ))
           3.5 1.53 1.53
! peak number n 568  F1=  7.356  F2=  8.391   null   null  d=  4.1
assi (( resid  42 and name HD* 
      ))
     (( resid  44 and name HN 
      ))
           4.09 2.10 2.10
! peak number c 1170  F1=  6.567  F2=  7.347   null   null  d=  5.6 dist trop loin
! peak number n 1154  F1=  7.346  F2=  7.823   null   null  d=  3.9
assi (( resid  42 and name HD* 
      ))
     (( resid  46 and name HN 
      ))
           3.9 1.90 1.90
! peak number n 695  F1=  7.346  F2=  8.480   null   null  d=  3.7
assi (( resid  42 and name HD* 
      ))
     (( resid  48 and name HN 
      ))
           3.7 1.71 1.71
! peak number c 1077  F1=  7.593  F2=  7.106   null   null  d=  3.7
assi (( resid  42 and name HE* 
      ))
     (( resid  42 and name HZ 
      ))
           3.7 1.71 1.71
! peak number c 1169  F1=  4.509  F2=  7.597   null   null  d=  6.8 dist trop loin
! peak number c 1162  F1=  1.293  F2=  7.596   null   null  d=  5.5 dist trop loin
! peak number n 1145  F1=  9.720  F2=  8.775   null   null  d=  4.3
assi (( resid  42 and name HN 
      ))
     (( resid  43 and name HN 
      ))
           4.3 1.07 1.07
! peak number n 43  F1=  8.458  F2=  9.741   null   null  d=  3.5
assi (( resid  42 and name HN 
      ))
     (( resid  45 and name HN) or ( resid 41 and name HN 
      ))
           3.5 1.53 1.53
! peak number n 1158  F1=  9.726  F2=  7.815   null   null  d=  3.8
assi (( resid  42 and name HN 
      ))
     (( resid  46 and name HN 
      ))
           3.8 0.95 0.95
! peak number n 41  F1=  5.649  F2=  9.736   null   null  d=  3.8
assi (( resid  42 and name HN 
      ))
     (( resid  47 and name HA 
      ))
           3.8 0.95 0.95
! peak number c 2576  F1=  7.087  F2=  1.276   null   null  d=  4.6
assi (( resid  42 and name HZ 
      ))
     (( resid  50 and name HG1* 
      ))
           4.59 2.64 2.64
! peak number c 1173  F1=  1.272  F2=  7.103   null   null  d=  5.0
assi (( resid  42 and name HZ 
      ))
     (( resid  50 and name HG1*) or ( resid 40 and name HG 
      ))
           5 3.12 3.12
! peak number c 1172  F1=  1.065  F2=  7.106   null   null  d=  4.0
assi (( resid  42 and name HZ 
      ))
     (( resid  50 and name HG2* 
      ))
           4 2.05 2.05
! peak number c 180  F1=  3.012  F2=  4.571   null   null  d=  2.9
assi (( resid  43 and name HA 
      ))
     (( resid  43 and name HB1 
      ))
           2.9 1.05 1.05
! peak number c 179  F1=  2.900  F2=  4.570   null   null  d=  3.3
assi (( resid  43 and name HA 
      ))
     (( resid  43 and name HB2 
      ))
           3.3 1.36 1.36
! peak number n 1138  F1=  4.587  F2=  8.787   null   null  d=  3.1
assi (( resid  43 and name HA 
      ))
     (( resid  43 and name HN 
      ))
           3.1 0.78 0.78
! peak number c 2497  F1=  8.785  F2=  3.005   null   null  d=  3.8
assi (( resid  43 and name HB1 
      ))
     (( resid  43 and name HN 
      ))
           3.8 1.76 1.76
! peak number c 2498  F1=  8.770  F2=  2.918   null   null  d=  3.9
assi (( resid  43 and name HB2 
      ))
     (( resid  43 and name HN 
      ))
           3.9 1.85 1.85
! peak number n 1143  F1=  8.391  F2=  8.788   null   null  d=  3.3
assi (( resid  43 and name HN 
      ))
     (( resid  44 and name HN 
      ))
           3.3 0.82 0.82
! peak number c 184  F1=  2.981  F2=  4.597   null   null  d=  3.9
assi (( resid  44 and name HA 
      ))
     (( resid  44 and name HB1 
      ))
           3.9 1.90 1.90
! peak number c 185  F1=  2.596  F2=  4.599   null   null  d=  3.0
assi (( resid  44 and name HA 
      ))
     (( resid  44 and name HB2 
      ))
           3 1.12 1.12
! peak number n 562  F1=  4.595  F2=  8.389   null   null  d=  2.8
assi (( resid  44 and name HA 
      ))
     (( resid  44 and name HN 
      ))
           2.8 0.70 0.70
! peak number n 315  F1=  4.599  F2=  8.430   null   null  d=  3.1
assi (( resid  44 and name HA) or ( resid 43 and name HA 
      ))
     (( resid  45 and name HN 
      ))
           3.1 1.20 1.20
! peak number c 2494  F1=  2.640  F2=  2.987   null   null  d=  2.7
assi (( resid  44 and name HB1 
      ))
     (( resid  44 and name HB2 
      ))
           2.7 0.91 0.91
! peak number n 318  F1=  2.984  F2=  8.434   null   null  d=  3.6
assi (( resid  44 and name HB1 
      ))
     (( resid  45 and name HN 
      ))
           3.6 1.62 1.62
! peak number c 2496  F1=  8.382  F2=  2.997   null   null  d=  3.1
assi (( resid  44 and name HB1) or ( resid 43 and name HB1 
      ))
     (( resid  44 and name HN 
      ))
           3.1 1.24 1.24
! peak number c 2504  F1=  8.382  F2=  2.623   null   null  d=  3.2
assi (( resid  44 and name HB2 
      ))
     (( resid  44 and name HN 
      ))
           3.2 1.32 1.32
! peak number n 561  F1=  3.637  F2=  8.390   null   null  d=  4.0
assi (( resid  44 and name HN 
      ))
     (( resid  45 and name HA1) or ( resid 27 and name HA2 
      ))
           4 2.00 2.00
! peak number n 569  F1=  7.814  F2=  8.386   null   null  d=  4.3
assi (( resid  44 and name HN 
      ))
     (( resid  46 and name HN 
      ))
           4.3 1.07 1.07
! peak number n 313  F1=  3.647  F2=  8.431   null   null  d=  2.6
assi (( resid  45 and name HA1 
      ))
     (( resid  45 and name HN 
      ))
           2.6 0.65 0.65
! peak number n 1150  F1=  3.650  F2=  7.826   null   null  d=  3.4
assi (( resid  45 and name HA1 
      ))
     (( resid  46 and name HN 
      ))
           3.4 0.85 0.85
! peak number n 314  F1=  4.421  F2=  8.427   null   null  d=  2.7
assi (( resid  45 and name HA2 
      ))
     (( resid  45 and name HN 
      ))
           2.7 0.68 0.68
! peak number n 1151  F1=  4.413  F2=  7.822   null   null  d=  3.6
assi (( resid  45 and name HA2 
      ))
     (( resid  46 and name HN 
      ))
           3.6 0.90 0.90
! peak number n 1157  F1=  8.414  F2=  7.822   null   null  d=  2.8
assi (( resid  45 and name HN 
      ))
     (( resid  46 and name HN 
      ))
           2.8 0.71 0.71
! peak number c 188  F1=  2.765  F2=  4.493   null   null  d=  4.0
assi (( resid  46 and name HA 
      ))
     (( resid  46 and name HB1 
      ))
           4 2.00 2.00
! peak number c 189  F1=  2.908  F2=  4.493   null   null  d=  3.6
assi (( resid  46 and name HA 
      ))
     (( resid  46 and name HB2 
      ))
           3.6 1.62 1.62
! peak number c 1013  F1=  4.496  F2=  6.570   null   null  d=  3.3
assi (( resid  46 and name HA 
      ))
     (( resid  46 and name HD* 
      ))
           3.3 1.36 1.36
! peak number c 1019  F1=  4.510  F2=  6.134   null   null  d=  4.8
assi (( resid  46 and name HA 
      ))
     (( resid  46 and name HE* 
      ))
           4.8 2.88 2.88
! peak number n 1152  F1=  4.520  F2=  7.824   null   null  d=  3.0
assi (( resid  46 and name HA 
      ))
     (( resid  46 and name HN 
      ))
           3 0.75 0.75
! peak number n 77  F1=  4.519  F2=  7.503   null   null  d=  2.4
assi (( resid  46 and name HA 
      ))
     (( resid  47 and name HN 
      ))
           2.4 0.60 0.60
! peak number c 1014  F1=  2.791  F2=  6.570   null   null  d=  3.3
assi (( resid  46 and name HB1 
      ))
     (( resid  46 and name HD* 
      ))
           3.3 1.36 1.36
! peak number c 2510  F1=  7.797  F2=  2.775   null   null  d=  3.3
assi (( resid  46 and name HB1 
      ))
     (( resid  46 and name HN 
      ))
           3.3 1.40 1.40
! peak number n 1222  F1=  2.807  F2=  7.500   null   null  d=  3.7
assi (( resid  46 and name HB1 
      ))
     (( resid  47 and name HN 
      ))
           3.7 1.71 1.71
! peak number c 1015  F1=  2.930  F2=  6.570   null   null  d=  3.6
assi (( resid  46 and name HB2 
      ))
     (( resid  46 and name HD* 
      ))
           3.6 1.62 1.62
! peak number c 1020  F1=  2.919  F2=  6.136   null   null  d=  3.6
assi (( resid  46 and name HB2 
      ))
     (( resid  46 and name HE* 
      ))
           3.6 1.62 1.62
! peak number n 1148  F1=  2.926  F2=  7.823   null   null  d=  2.9
assi (( resid  46 and name HB2 
      ))
     (( resid  46 and name HN 
      ))
           2.9 1.05 1.05
! peak number n 76  F1=  2.936  F2=  7.503   null   null  d=  3.3
assi (( resid  46 and name HB2 
      ))
     (( resid  47 and name HN 
      ))
           3.3 1.36 1.36
! peak number c 1011  F1=  6.126  F2=  6.570   null   null  d=  2.6
assi (( resid  46 and name HD* 
      ))
     (( resid  46 and name HE* 
      ))
           2.6 0.85 0.85
! peak number c 1016  F1=  7.803  F2=  6.571   null   null  d=  3.6
assi (( resid  46 and name HD* 
      ))
     (( resid  46 and name HN 
      ))
           3.6 1.67 1.67
! peak number c 1204  F1=  7.496  F2=  6.571   null   null  d=  3.4
assi (( resid  46 and name HD* 
      ))
     (( resid  47 and name HN 
      ))
           3.4 1.40 1.40
! peak number n 1284  F1=  6.128  F2=  7.503   null   null  d=  3.9
assi (( resid  46 and name HE* 
      ))
     (( resid  47 and name HN 
      ))
           3.9 1.90 1.90
! peak number c 1211  F1=  2.627  F2=  6.133   null   null  d=  4.3
assi (( resid  46 and name HE* 
      ))
     (( resid  48 and name HB1 
      ))
           4.3 2.37 2.37
! peak number n 1155  F1=  7.495  F2=  7.821   null   null  d=  3.7
assi (( resid  46 and name HN 
      ))
     (( resid  47 and name HN 
      ))
           3.7 0.93 0.93
! peak number c 193  F1=  1.757  F2=  5.639   null   null  d=  3.5
assi (( resid  47 and name HA 
      ))
     (( resid  47 and name HB1 
      ))
           3.5 1.58 1.58
! peak number c 195  F1=  1.851  F2=  5.642   null   null  d=  3.5
assi (( resid  47 and name HA 
      ))
     (( resid  47 and name HB2 
      ))
           3.5 1.58 1.58
! peak number c 197  F1=  1.917  F2=  5.645   null   null  d=  4.5
assi (( resid  47 and name HA 
      ))
     (( resid  47 and name HG1 
      ))
           4.5 2.53 2.53
! peak number c 194  F1=  2.107  F2=  5.641   null   null  d=  4.0
assi (( resid  47 and name HA 
      ))
     (( resid  47 and name HG2 
      ))
           4 1.95 1.95
! peak number n 78  F1=  5.647  F2=  7.504   null   null  d=  3.2
assi (( resid  47 and name HA 
      ))
     (( resid  47 and name HN 
      ))
           3.2 0.80 0.80
! peak number n 692  F1=  5.650  F2=  8.478   null   null  d=  2.4
assi (( resid  47 and name HA 
      ))
     (( resid  48 and name HN 
      ))
           2.4 0.60 0.60
! peak number c 2524  F1=  2.102  F2=  1.759   null   null  d=  3.5
assi (( resid  47 and name HB1 
      ))
     (( resid  47 and name HG2 
      ))
           3.5 1.53 1.53
! peak number c 2519  F1=  7.490  F2=  1.758   null   null  d=  3.4
assi (( resid  47 and name HB1 
      ))
     (( resid  47 and name HN 
      ))
           3.4 1.44 1.44
! peak number c 2522  F1=  8.466  F2=  1.760   null   null  d=  3.6
assi (( resid  47 and name HB1 
      ))
     (( resid  48 and name HN 
      ))
           3.6 1.67 1.67
! peak number c 2523  F1=  2.100  F2=  1.821   null   null  d=  3.0
assi (( resid  47 and name HB2 
      ))
     (( resid  47 and name HG2 
      ))
           3 1.12 1.12
! peak number c 2520  F1=  7.493  F2=  1.835   null   null  d=  3.3
assi (( resid  47 and name HB2 
      ))
     (( resid  47 and name HN 
      ))
           3.3 1.36 1.36
! peak number c 2521  F1=  8.477  F2=  1.823   null   null  d=  3.8
assi (( resid  47 and name HB2 
      ))
     (( resid  48 and name HN 
      ))
           3.8 1.76 1.76
! peak number c 2528  F1=  2.101  F2=  1.905   null   null  d=  2.7
assi (( resid  47 and name HG1 
      ))
     (( resid  47 and name HG2 
      ))
           2.7 0.88 0.88
! peak number c 2536  F1=  8.452  F2=  1.911   null   null  d=  3.7
assi (( resid  47 and name HG1 
      ))
     (( resid  48 and name HN 
      ))
           3.7 1.71 1.71
! peak number c 2538  F1=  7.504  F2=  2.103   null   null  d=  4.3
assi (( resid  47 and name HG2 
      ))
     (( resid  47 and name HN 
      ))
           4.3 2.31 2.31
! peak number c 2537  F1=  8.466  F2=  2.095   null   null  d=  3.8
assi (( resid  47 and name HG2 
      ))
     (( resid  48 and name HN 
      ))
           3.8 1.76 1.76
! peak number n 696  F1=  7.499  F2=  8.475   null   null  d=  4.0
assi (( resid  47 and name HN 
      ))
     (( resid  48 and name HN 
      ))
           4 1.00 1.00
! peak number c 198  F1=  2.623  F2=  4.626   null   null  d=  3.2
assi (( resid  48 and name HA 
      ))
     (( resid  48 and name HB1 
      ))
           3.2 1.24 1.24
! peak number c 199  F1=  2.897  F2=  4.623   null   null  d=  3.1
assi (( resid  48 and name HA 
      ))
     (( resid  48 and name HB2 
      ))
           3.1 1.20 1.20
! peak number n 694  F1=  4.646  F2=  8.479   null   null  d=  3.1
assi (( resid  48 and name HA 
      ))
     (( resid  48 and name HN 
      ))
           3.1 0.78 0.78
! peak number n 1018  F1=  4.641  F2=  8.434   null   null  d=  2.5
assi (( resid  48 and name HA 
      ))
     (( resid  49 and name HN 
      ))
           2.5 0.62 0.62
! peak number c 2539  F1=  2.636  F2=  2.903   null   null  d=  2.6
assi (( resid  48 and name HB1 
      ))
     (( resid  48 and name HB2 
      ))
           2.6 0.85 0.85
! peak number c 2544  F1=  8.420  F2=  2.626   null   null  d=  3.3
assi (( resid  48 and name HB1 
      ))
     (( resid  49 and name HN 
      ))
           3.3 1.36 1.36
! peak number c 2543  F1=  8.430  F2=  2.904   null   null  d=  2.9
assi (( resid  48 and name HB2 
      ))
     (( resid  49 and name HN 
      ))
           2.9 1.05 1.05
! peak number c 2586  F1=  2.905  F2=  1.276   null   null  d=  3.2
assi (( resid  48 and name HB2 
      ))
     (( resid  50 and name HG1* 
      ))
           3.2 1.28 1.28
! peak number c 2587  F1=  2.929  F2=  1.076   null   null  d=  3.5
assi (( resid  48 and name HB2 
      ))
     (( resid  50 and name HG2* 
      ))
           3.5 1.53 1.53
! peak number c 2554  F1=  2.903  F2=  2.197   null   null  d=  3.8
assi (( resid  48 and name HB2) or ( resid 37 and name HE2 
      ))
     (( resid  49 and name HB1 
      ))
           3.8 1.80 1.80
! peak number c 207  F1=  2.196  F2=  5.578   null   null  d=  4.0
assi (( resid  49 and name HA 
      ))
     (( resid  49 and name HB1 
      ))
           4 2.00 2.00
! peak number c 208  F1=  2.600  F2=  5.584   null   null  d=  4.0
assi (( resid  49 and name HA 
      ))
     (( resid  49 and name HB2 
      ))
           4 2.05 2.05
! peak number n 1020  F1=  5.587  F2=  8.435   null   null  d=  3.1
assi (( resid  49 and name HA 
      ))
     (( resid  49 and name HN 
      ))
           3.1 0.78 0.78
! peak number n 251  F1=  5.593  F2=  9.612   null   null  d=  2.5
assi (( resid  49 and name HA 
      ))
     (( resid  50 and name HN 
      ))
           2.5 0.62 0.62
! peak number c 2556  F1=  2.189  F2=  2.593   null   null  d=  3.0
assi (( resid  49 and name HB1 
      ))
     (( resid  49 and name HB2 
      ))
           3 1.12 1.12
! peak number c 2548  F1=  8.423  F2=  2.196   null   null  d=  3.2
assi (( resid  49 and name HB1 
      ))
     (( resid  49 and name HN 
      ))
           3.2 1.32 1.32
! peak number c 2550  F1=  9.585  F2=  2.198   null   null  d=  3.8
assi (( resid  49 and name HB1 
      ))
     (( resid  50 and name HN 
      ))
           3.8 1.80 1.80
! peak number c 2547  F1=  8.420  F2=  2.595   null   null  d=  3.4
assi (( resid  49 and name HB2 
      ))
     (( resid  49 and name HN 
      ))
           3.4 1.44 1.44
! peak number c 3867  F1=  4.573  F2=  2.581   null   null  d=  3.0
assi (( resid  49 and name HB2 
      ))
     (( resid  50 and name HA 
      ))
           3 1.12 1.12
! peak number c 2549  F1=  9.588  F2=  2.608   null   null  d=  3.8
assi (( resid  49 and name HB2 
      ))
     (( resid  50 and name HN 
      ))
           3.8 1.80 1.80
! peak number n 1025  F1=  2.640  F2=  8.431   null   null  d=  2.5
assi (( resid  49 and name HB2) or ( resid 48 and name HB1 
      ))
     (( resid  49 and name HN 
      ))
           2.5 0.78 0.78
! peak number n 1006  F1=  1.132  F2=  8.448   null   null  d=  3.0
assi (( resid  49 and name HN 
      ))
     (( resid  50 and name HG2* 
      ))
           3 1.12 1.12
! peak number n 1022  F1=  9.613  F2=  8.427   null   null  d=  3.5
assi (( resid  49 and name HN 
      ))
     (( resid  50 and name HN 
      ))
           3.5 0.88 0.88
! peak number n 1010  F1=  1.295  F2=  8.451   null   null  d=  3.8
assi (( resid  49 and name HN) or ( resid 41 and name HN 
      ))
     (( resid  50 and name HG1*) or ( resid 40 and name HG 
      ))
           3.8 1.80 1.80
! peak number c 211  F1=  2.055  F2=  4.562   null   null  d=  3.9
assi (( resid  50 and name HA 
      ))
     (( resid  50 and name HB 
      ))
           3.9 1.85 1.85
! peak number c 210  F1=  1.286  F2=  4.557   null   null  d=  3.0
assi (( resid  50 and name HA 
      ))
     (( resid  50 and name HG1* 
      ))
           3 1.16 1.16
! peak number c 209  F1=  1.088  F2=  4.560   null   null  d=  3.0
assi (( resid  50 and name HA 
      ))
     (( resid  50 and name HG2* 
      ))
           3 1.09 1.09
! peak number n 249  F1=  4.585  F2=  9.610   null   null  d=  3.2
assi (( resid  50 and name HA 
      ))
     (( resid  50 and name HN 
      ))
           3.2 0.80 0.80
! peak number n 149  F1=  4.590  F2=  9.014   null   null  d=  2.5
assi (( resid  50 and name HA 
      ))
     (( resid  51 and name HN 
      ))
           2.5 0.62 0.62
! peak number c 2564  F1=  1.278  F2=  2.055   null   null  d=  2.8
assi (( resid  50 and name HB 
      ))
     (( resid  50 and name HG1* 
      ))
           2.8 1.02 1.02
! peak number c 2563  F1=  1.080  F2=  2.058   null   null  d=  2.8
assi (( resid  50 and name HB 
      ))
     (( resid  50 and name HG2* 
      ))
           2.8 0.98 0.98
! peak number c 2569  F1=  9.600  F2=  2.055   null   null  d=  3.2
assi (( resid  50 and name HB 
      ))
     (( resid  50 and name HN 
      ))
           3.2 1.32 1.32
! peak number c 3776  F1=  2.075  F2=  1.005   null   null  d=  4.4
assi (( resid  50 and name HB 
      ))
     (( resid  51 and name HD2* 
      ))
           4.4 2.42 2.42
! peak number c 2568  F1=  9.001  F2=  2.059   null   null  d=  3.5
assi (( resid  50 and name HB 
      ))
     (( resid  51 and name HN 
      ))
           3.5 1.58 1.58
! peak number c 2591  F1=  1.082  F2=  1.271   null   null  d=  2.5
assi (( resid  50 and name HG1* 
      ))
     (( resid  50 and name HG2* 
      ))
           2.5 0.78 0.78
! peak number c 2570  F1=  9.595  F2=  1.272   null   null  d=  3.6
assi (( resid  50 and name HG1* 
      ))
     (( resid  50 and name HN 
      ))
           3.6 1.67 1.67
! peak number c 2573  F1=  9.008  F2=  1.275   null   null  d=  3.0
assi (( resid  50 and name HG1* 
      ))
     (( resid  51 and name HN 
      ))
           3 1.09 1.09
! peak number c 2581  F1=  5.041  F2=  1.275   null   null  d=  3.7
assi (( resid  50 and name HG1* 
      ))
     (( resid  54 and name HA) or ( resid 18 and name HA 
      ))
           3.7 1.71 1.71
! peak number c 3149  F1=  1.299  F2=  2.857   null   null  d=  2.6
assi (( resid  50 and name HG1* 
      ))
     (( resid  54 and name HB1 
      ))
           2.6 0.85 0.85
! peak number c 2585  F1=  3.388  F2=  1.275   null   null  d=  3.6
assi (( resid  50 and name HG1* 
      ))
     (( resid  54 and name HB2 
      ))
           3.6 1.62 1.62
! peak number c 2574  F1=  8.135  F2=  1.270   null   null  d=  3.8
assi (( resid  50 and name HG1* 
      ))
     (( resid  54 and name HN 
      ))
           3.8 1.76 1.76
! peak number c 2593  F1=  1.868  F2=  1.276   null   null  d=  2.9
assi (( resid  50 and name HG1* 
      ))
     (( resid  55 and name HB 
      ))
           2.9 1.05 1.05
! peak number c 2575  F1=  7.544  F2=  1.271   null   null  d=  3.8
assi (( resid  50 and name HG1* 
      ))
     (( resid  55 and name HN 
      ))
           3.8 1.85 1.85
! peak number c 2580  F1=  4.775  F2=  1.277   null   null  d=  3.8
assi (( resid  50 and name HG1* 
      ))
     (( resid  56 and name HA) or ( resid 40 and name HA 
      ))
           3.8 1.80 1.80
! peak number c 2657  F1=  1.290  F2=  0.652   null   null  d=  3.6
assi (( resid  50 and name HG1*) or ( resid 40 and name HG 
      ))
     (( resid  55 and name HD1* 
      ))
           3.6 1.62 1.62
! peak number c 2571  F1=  9.590  F2=  1.084   null   null  d=  3.1
assi (( resid  50 and name HG2* 
      ))
     (( resid  50 and name HN 
      ))
           3.1 1.24 1.24
! peak number c 2572  F1=  9.023  F2=  1.077   null   null  d=  3.5
assi (( resid  50 and name HG2* 
      ))
     (( resid  51 and name HN 
      ))
           3.5 1.53 1.53
! peak number c 215  F1=  1.826  F2=  4.720   null   null  d=  3.9
assi (( resid  51 and name HA 
      ))
     (( resid  51 and name HB2 
      ))
           3.9 1.90 1.90
! peak number c 214  F1=  0.962  F2=  4.718   null   null  d=  3.2
assi (( resid  51 and name HA 
      ))
     (( resid  51 and name HD1* 
      ))
           3.2 1.28 1.28
! peak number n 150  F1=  4.749  F2=  9.009   null   null  d=  3.5
assi (( resid  51 and name HA 
      ))
     (( resid  51 and name HN 
      ))
           3.5 0.88 0.88
! peak number n 323  F1=  4.742  F2=  8.995   null   null  d=  3.0
assi (( resid  51 and name HA 
      ))
     (( resid  52 and name HN 
      ))
           3 0.75 0.75
! peak number c 2606  F1=  1.841  F2=  1.740   null   null  d=  2.8
assi (( resid  51 and name HB1 
      ))
     (( resid  51 and name HB2 
      ))
           2.8 0.98 0.98
! peak number c 2610  F1=  0.980  F2=  1.735   null   null  d=  3.0
assi (( resid  51 and name HB1 
      ))
     (( resid  51 and name HD2*) or ( resid 51 and name HD1* 
      ))
           3 1.12 1.12
! peak number n 146  F1=  1.769  F2=  9.014   null   null  d=  3.4
assi (( resid  51 and name HB1 
      ))
     (( resid  51 and name HN 
      ))
           3.4 1.44 1.44
! peak number c 2601  F1=  8.999  F2=  1.746   null   null  d=  3.4
assi (( resid  51 and name HB1 
      ))
     (( resid  52 and name HN 
      ))
           3.4 1.44 1.44
! peak number n 433  F1=  1.767  F2=  7.963   null   null  d=  3.5
assi (( resid  51 and name HB1 
      ))
     (( resid  53 and name HN 
      ))
           3.5 1.53 1.53
! peak number c 2609  F1=  0.985  F2=  1.837   null   null  d=  2.8
assi (( resid  51 and name HB2 
      ))
     (( resid  51 and name HD2* 
      ))
           2.8 0.95 0.95
! peak number c 2602  F1=  9.008  F2=  1.842   null   null  d=  3.4
assi (( resid  51 and name HB2 
      ))
     (( resid  51 and name HN 
      ))
           3.4 1.44 1.44
! peak number n 326  F1=  1.850  F2=  8.990   null   null  d=  3.1
assi (( resid  51 and name HB2 
      ))
     (( resid  52 and name HN 
      ))
           3.1 1.20 1.20
! peak number c 2603  F1=  7.934  F2=  1.848   null   null  d=  4.6
assi (( resid  51 and name HB2 
      ))
     (( resid  53 and name HN 
      ))
           4.59 2.64 2.64
! peak number c 2293  F1=  1.843  F2=  3.113   null   null  d=  2.7
assi (( resid  51 and name HB2) or ( resid 31 and name HB2 
      ))
     (( resid  53 and name HE*) or ( resid 31 and name HD* 
      ))
           2.7 0.91 0.91
! peak number c 2613  F1=  0.977  F2=  1.841   null   null  d=  2.5
assi (( resid  51 and name HD1* 
      ))
     (( resid  51 and name HG 
      ))
           2.5 0.75 0.75
! peak number c 2614  F1=  8.987  F2=  0.951   null   null  d=  3.0
assi (( resid  51 and name HD1* 
      ))
     (( resid  51 and name HN 
      ))
           3 1.12 1.12
! peak number c 2625  F1=  8.992  F2=  1.003   null   null  d=  3.3
assi (( resid  51 and name HD2* 
      ))
     (( resid  52 and name HN 
      ))
           3.3 1.40 1.40
! peak number c 2622  F1=  1.640  F2=  1.003   null   null  d=  2.8
assi (( resid  51 and name HD2* 
      ))
     (( resid  53 and name HD* 
      ))
           2.8 0.98 0.98
! peak number c 2666  F1=  1.029  F2=  1.934   null   null  d=  4.3
assi (( resid  51 and name HD2*) or ( resid 40 and name HB1 
      ))
     (( resid  56 and name HB2 
      ))
           4.3 2.31 2.31
! peak number c 2611  F1=  8.990  F2=  1.843   null   null  d=  3.2
assi (( resid  51 and name HG 
      ))
     (( resid  51 and name HN 
      ))
           3.2 1.28 1.28
! peak number n 147  F1=  1.878  F2=  9.012   null   null  d=  2.6
assi (( resid  51 and name HG) or ( resid 51 and name HB2 
      ))
     (( resid  51 and name HN 
      ))
           2.6 0.85 0.85
! peak number c 2631  F1=  9.038  F2=  1.638   null   null  d=  3.4
assi (( resid  51 and name HN 
      ))
     (( resid  53 and name HD* 
      ))
           3.4 1.44 1.44
! peak number c 2290  F1=  9.033  F2=  3.102   null   null  d=  3.6
assi (( resid  51 and name HN) or ( resid 32 and name HN 
      ))
     (( resid  53 and name HE*) or ( resid 31 and name HD* 
      ))
           3.6 1.62 1.62
! peak number c 2627  F1=  8.979  F2=  3.783   null   null  d=  3.6
assi (( resid  52 and name HA1 
      ))
     (( resid  52 and name HN 
      ))
           3.6 0.90 0.90
! peak number c 2626  F1=  8.983  F2=  4.153   null   null  d=  3.5
assi (( resid  52 and name HA2 
      ))
     (( resid  52 and name HN 
      ))
           3.5 0.88 0.88
! peak number n 483  F1=  4.187  F2=  7.944   null   null  d=  3.0
assi (( resid  52 and name HA2 
      ))
     (( resid  53 and name HN 
      ))
           3 0.75 0.75
! peak number c 2683  F1=  4.164  F2=  0.764   null   null  d=  3.9
assi (( resid  52 and name HA2) or ( resid 125 and name HA 
      ))
     (( resid  57 and name HD2* 
      ))
           3.9 1.90 1.90
! peak number n 440  F1=  9.004  F2=  7.963   null   null  d=  3.5
assi (( resid  52 and name HN 
      ))
     (( resid  53 and name HN 
      ))
           3.5 0.88 0.88
! peak number n 329  F1=  0.641  F2=  8.999   null   null  d=  4.1
assi (( resid  52 and name HN 
      ))
     (( resid  55 and name HD1*) or ( resid 33 and name HG1* 
      ))
           4.09 2.10 2.10
! peak number n 432  F1=  4.330  F2=  7.964   null   null  d=  3.1
assi (( resid  53 and name HA 
      ))
     (( resid  53 and name HN 
      ))
           3.1 0.78 0.78
! peak number c 3739  F1=  4.367  F2=  0.776   null   null  d=  3.9
assi (( resid  53 and name HA 
      ))
     (( resid  57 and name HD2* 
      ))
           3.9 1.90 1.90
! peak number n 434  F1=  1.876  F2=  7.962   null   null  d=  2.8
assi (( resid  53 and name HB2 
      ))
     (( resid  53 and name HN 
      ))
           2.8 0.98 0.98
! peak number n 984  F1=  1.885  F2=  8.149   null   null  d=  3.2
assi (( resid  53 and name HB2) or ( resid 51 and name HB2 
      ))
     (( resid  54 and name HN 
      ))
           3.2 1.28 1.28
! peak number c 2635  F1=  3.115  F2=  1.642   null   null  d=  2.7
assi (( resid  53 and name HD* 
      ))
     (( resid  53 and name HE* 
      ))
           2.7 0.91 0.91
! peak number n 439  F1=  8.146  F2=  7.963   null   null  d=  3.5
assi (( resid  53 and name HN 
      ))
     (( resid  54 and name HN 
      ))
           3.5 0.86 0.86
! peak number c 222  F1=  2.861  F2=  5.075   null   null  d=  3.7
assi (( resid  54 and name HA 
      ))
     (( resid  54 and name HB1 
      ))
           3.7 1.71 1.71
! peak number c 223  F1=  3.384  F2=  5.078   null   null  d=  4.3
assi (( resid  54 and name HA 
      ))
     (( resid  54 and name HB2 
      ))
           4.3 2.37 2.37
! peak number n 981  F1=  5.090  F2=  8.146   null   null  d=  3.2
assi (( resid  54 and name HA 
      ))
     (( resid  54 and name HN 
      ))
           3.2 0.80 0.80
! peak number n 610  F1=  5.099  F2=  7.549   null   null  d=  3.3
assi (( resid  54 and name HA 
      ))
     (( resid  55 and name HN 
      ))
           3.3 0.82 0.82
! peak number c 3151  F1=  3.377  F2=  2.850   null   null  d=  3.7
assi (( resid  54 and name HB1 
      ))
     (( resid  54 and name HB2 
      ))
           3.7 1.71 1.71
! peak number c 2639  F1=  8.140  F2=  2.864   null   null  d=  3.2
assi (( resid  54 and name HB1 
      ))
     (( resid  54 and name HN 
      ))
           3.2 1.32 1.32
! peak number c 2638  F1=  8.133  F2=  3.382   null   null  d=  3.5
assi (( resid  54 and name HB2 
      ))
     (( resid  54 and name HN 
      ))
           3.5 1.53 1.53
! peak number n 612  F1=  8.141  F2=  7.543   null   null  d=  3.1
assi (( resid  54 and name HN 
      ))
     (( resid  55 and name HN 
      ))
           3.1 0.78 0.78
! peak number c 225  F1=  0.637  F2=  4.466   null   null  d=  3.4
assi (( resid  55 and name HA 
      ))
     (( resid  55 and name HD1* 
      ))
           3.4 1.45 1.45
! peak number n 608  F1=  4.504  F2=  7.552   null   null  d=  3.1
assi (( resid  55 and name HA 
      ))
     (( resid  55 and name HN 
      ))
           3.1 0.78 0.78
! peak number n 165  F1=  4.498  F2=  9.156   null   null  d=  3.0
assi (( resid  55 and name HA 
      ))
     (( resid  56 and name HN 
      ))
           3 0.75 0.75
! peak number c 2643  F1=  0.651  F2=  1.863   null   null  d=  2.6
assi (( resid  55 and name HB 
      ))
     (( resid  55 and name HD1* 
      ))
           2.6 0.85 0.85
! peak number c 2648  F1=  7.538  F2=  1.866   null   null  d=  3.0
assi (( resid  55 and name HB 
      ))
     (( resid  55 and name HN 
      ))
           3 1.16 1.16
! peak number c 2647  F1=  4.782  F2=  1.861   null   null  d=  4.1
assi (( resid  55 and name HB 
      ))
     (( resid  56 and name HA 
      ))
           4.09 2.10 2.10
! peak number c 2651  F1=  7.536  F2=  0.647   null   null  d=  3.9
assi (( resid  55 and name HD1* 
      ))
     (( resid  55 and name HN 
      ))
           3.9 1.90 1.90
! peak number n 163  F1=  0.674  F2=  9.158   null   null  d=  2.9
assi (( resid  55 and name HD1*) or ( resid 14 and name HG2* 
      ))
     (( resid  56 and name HN 
      ))
           2.9 1.05 1.05
! peak number c 2668  F1=  4.785  F2=  0.998   null   null  d=  4.6
assi (( resid  56 and name HA 
      ))
     (( resid  56 and name HB1 
      ))
           4.59 2.64 2.64
! peak number n 169  F1=  4.808  F2=  9.150   null   null  d=  3.6
assi (( resid  56 and name HA 
      ))
     (( resid  56 and name HN 
      ))
           3.6 0.90 0.90
! peak number n 99  F1=  4.813  F2=  9.374   null   null  d=  2.7
assi (( resid  56 and name HA 
      ))
     (( resid  57 and name HN 
      ))
           2.7 0.68 0.68
! peak number c 2665  F1=  1.932  F2=  0.991   null   null  d=  3.8
assi (( resid  56 and name HB1 
      ))
     (( resid  56 and name HB2 
      ))
           3.8 1.80 1.80
! peak number c 2661  F1=  0.561  F2=  0.989   null   null  d=  3.9
assi (( resid  56 and name HB1 
      ))
     (( resid  56 and name HD1* 
      ))
           3.9 1.90 1.90
! peak number c 2660  F1=  0.141  F2=  0.986   null   null  d=  4.1
assi (( resid  56 and name HB1 
      ))
     (( resid  56 and name HD2* 
      ))
           4.09 2.10 2.10
! peak number c 22  F1=  1.010  F2=  4.392   null   null  d=  4.2
assi (( resid  56 and name HB1) or ( resid 10 and name HG2* 
      ))
     (( resid  8 and name HA) or ( resid 53 and name HA 
      ))
           4.2 2.21 2.21
! peak number c 1130  F1=  0.996  F2=  7.145   null   null  d=  3.9
assi (( resid  56 and name HB1) or ( resid 10 and name HG2* 
      ))
     (( resid  9 and name HD*) or ( resid 24 and name HD* 
      ))
           3.9 1.90 1.90
! peak number c 1129  F1=  0.964  F2=  7.280   null   null  d=  4.0
assi (( resid  56 and name HB1) or ( resid 10 and name HG2* 
      ))
     (( resid  9 and name HE* 
      ))
           4 2.00 2.00
! peak number c 2662  F1=  0.542  F2=  1.959   null   null  d=  3.9
assi (( resid  56 and name HB2 
      ))
     (( resid  56 and name HD1* 
      ))
           3.9 1.90 1.90
! peak number c 2659  F1=  0.138  F2=  1.959   null   null  d=  3.9
assi (( resid  56 and name HB2 
      ))
     (( resid  56 and name HD2* 
      ))
           3.9 1.90 1.90
! peak number n 168  F1=  1.989  F2=  9.160   null   null  d=  3.9
assi (( resid  56 and name HB2 
      ))
     (( resid  56 and name HN 
      ))
           3.9 1.90 1.90
! peak number n 1296  F1=  0.592  F2=  9.162   null   null  d=  4.0
assi (( resid  56 and name HD1* 
      ))
     (( resid  56 and name HN 
      ))
           4 2.00 2.00
! peak number n 167  F1=  1.883  F2=  9.162   null   null  d=  3.7
assi (( resid  56 and name HN 
      ))
     (( resid  58 and name HB1) or ( resid 55 and name HB) or ( resid 15 and name HB 
      ))
           3.7 1.71 1.71
! peak number c 234  F1=  1.868  F2=  4.424   null   null  d=  3.6
assi (( resid  57 and name HA 
      ))
     (( resid  57 and name HB1 
      ))
           3.6 1.62 1.62
! peak number c 2672  F1=  4.437  F2=  1.632   null   null  d=  4.5
assi (( resid  57 and name HA 
      ))
     (( resid  57 and name HB2 
      ))
           4.5 2.53 2.53
! peak number c 236  F1=  0.787  F2=  4.419   null   null  d=  4.1
assi (( resid  57 and name HA 
      ))
     (( resid  57 and name HD2* 
      ))
           4.09 2.10 2.10
! peak number c 233  F1=  1.590  F2=  4.426   null   null  d=  4.6
assi (( resid  57 and name HA 
      ))
     (( resid  57 and name HG 
      ))
           4.59 2.64 2.64
! peak number n 98  F1=  4.453  F2=  9.370   null   null  d=  3.2
assi (( resid  57 and name HA 
      ))
     (( resid  57 and name HN 
      ))
           3.2 0.80 0.80
! peak number n 671  F1=  4.441  F2=  7.405   null   null  d=  2.5
assi (( resid  57 and name HA 
      ))
     (( resid  58 and name HN 
      ))
           2.5 0.62 0.62
! peak number c 2644  F1=  1.638  F2=  1.859   null   null  d=  2.9
assi (( resid  57 and name HB1 
      ))
     (( resid  57 and name HB2 
      ))
           2.9 1.02 1.02
! peak number c 2686  F1=  1.864  F2=  0.773   null   null  d=  3.1
assi (( resid  57 and name HB1 
      ))
     (( resid  57 and name HD2* 
      ))
           3.1 1.20 1.20
! peak number c 2649  F1=  9.357  F2=  1.859   null   null  d=  3.4
assi (( resid  57 and name HB1 
      ))
     (( resid  57 and name HN 
      ))
           3.4 1.45 1.45
! peak number c 2670  F1=  0.726  F2=  1.636   null   null  d=  3.3
assi (( resid  57 and name HB2 
      ))
     (( resid  57 and name HD1* 
      ))
           3.3 1.36 1.36
! peak number c 2673  F1=  9.363  F2=  1.628   null   null  d=  3.7
assi (( resid  57 and name HB2 
      ))
     (( resid  57 and name HN 
      ))
           3.7 1.67 1.67
! peak number c 28  F1=  1.637  F2=  4.651   null   null  d=  4.5
assi (( resid  57 and name HB2 
      ))
     (( resid  9 and name HA 
      ))
           4.5 2.53 2.53
! peak number c 1128  F1=  0.704  F2=  7.284   null   null  d=  4.0
assi (( resid  57 and name HD1* 
      ))
     (( resid  9 and name HE* 
      ))
           4 2.00 2.00
! peak number c 2685  F1=  1.587  F2=  0.777   null   null  d=  2.9
assi (( resid  57 and name HD2* 
      ))
     (( resid  57 and name HG 
      ))
           2.9 1.05 1.05
! peak number c 3883  F1=  9.345  F2=  0.771   null   null  d=  4.1
assi (( resid  57 and name HD2* 
      ))
     (( resid  57 and name HN 
      ))
           4.09 2.10 2.10
! peak number c 2682  F1=  7.250  F2=  0.772   null   null  d=  3.3
assi (( resid  57 and name HD2* 
      ))
     (( resid  9 and name HZ) or ( resid 9 and name HE* 
      ))
           3.3 1.36 1.36
! peak number n 94  F1=  1.585  F2=  9.375   null   null  d=  3.2
assi (( resid  57 and name HG 
      ))
     (( resid  57 and name HN 
      ))
           3.2 1.28 1.28
! peak number n 682  F1=  9.369  F2=  7.405   null   null  d=  4.2
assi (( resid  57 and name HN 
      ))
     (( resid  58 and name HN 
      ))
           4.2 1.05 1.05
! peak number c 2693  F1=  4.276  F2=  1.832   null   null  d=  3.1
assi (( resid  58 and name HA 
      ))
     (( resid  58 and name HB1 
      ))
           3.1 1.20 1.20
! peak number c 2692  F1=  4.261  F2=  2.185   null   null  d=  3.3
assi (( resid  58 and name HA 
      ))
     (( resid  58 and name HB2 
      ))
           3.3 1.36 1.36
! peak number n 670  F1=  4.275  F2=  7.413   null   null  d=  3.1
assi (( resid  58 and name HA 
      ))
     (( resid  58 and name HN 
      ))
           3.1 0.78 0.78
! peak number n 1064  F1=  4.277  F2=  8.152   null   null  d=  2.4
assi (( resid  58 and name HA 
      ))
     (( resid  59 and name HN 
      ))
           2.4 0.60 0.60
! peak number c 2694  F1=  2.185  F2=  1.834   null   null  d=  2.7
assi (( resid  58 and name HB1 
      ))
     (( resid  58 and name HB2 
      ))
           2.7 0.91 0.91
! peak number c 2691  F1=  7.385  F2=  1.838   null   null  d=  3.5
assi (( resid  58 and name HB1 
      ))
     (( resid  58 and name HN 
      ))
           3.5 1.49 1.49
! peak number c 2690  F1=  8.103  F2=  1.837   null   null  d=  3.9
assi (( resid  58 and name HB1 
      ))
     (( resid  59 and name HN 
      ))
           3.9 1.85 1.85
! peak number c 2688  F1=  7.384  F2=  2.185   null   null  d=  3.9
assi (( resid  58 and name HB2 
      ))
     (( resid  58 and name HN 
      ))
           3.9 1.90 1.90
! peak number c 2689  F1=  8.117  F2=  2.190   null   null  d=  4.0
assi (( resid  58 and name HB2 
      ))
     (( resid  59 and name HN 
      ))
           4 2.05 2.05
! peak number c 2697  F1=  1.079  F2=  2.183   null   null  d=  3.8
assi (( resid  58 and name HB2 
      ))
     (( resid  60 and name HG* 
      ))
           3.8 1.80 1.80
! peak number c 3876  F1=  0.517  F2=  2.183   null   null  d=  4.9
assi (( resid  58 and name HB2 
      ))
     (( resid  61 and name HG1* 
      ))
           4.9 3.00 3.00
! peak number n 1065  F1=  4.491  F2=  8.151   null   null  d=  3.6
assi (( resid  59 and name HA 
      ))
     (( resid  59 and name HN 
      ))
           3.6 0.90 0.90
! peak number c 246  F1=  4.477  F2=  4.637   null   null  d=  3.8
assi (( resid  59 and name HA 
      ))
     (( resid  60 and name HA 
      ))
           3.8 0.95 0.95
! peak number c 237  F1=  3.278  F2=  4.493   null   null  d=  4.3
assi (( resid  59 and name HA 
      ))
     (( resid  60 and name HD* 
      ))
           4.3 2.31 2.31
! peak number c 1324  F1=  4.480  F2=  7.602   null   null  d=  3.8
assi (( resid  59 and name HA 
      ))
     (( resid  84 and name HE1 
      ))
           3.8 1.80 1.80
! peak number c 238  F1=  3.012  F2=  4.494   null   null  d=  3.7
assi (( resid  59 and name HA) or ( resid 117 and name HA 
      ))
     (( resid  59 and name HB1) or ( resid 117 and name HB2 
      ))
           3.7 1.71 1.71
! peak number c 239  F1=  2.839  F2=  4.497   null   null  d=  3.6
assi (( resid  59 and name HA) or ( resid 117 and name HA 
      ))
     (( resid  59 and name HB2) or ( resid 117 and name HB1 
      ))
           3.6 1.62 1.62
! peak number n 1062  F1=  2.555  F2=  8.151   null   null  d=  2.9
assi (( resid  59 and name HB1 
      ))
     (( resid  59 and name HN 
      ))
           2.9 1.05 1.05
! peak number c 3024  F1=  2.584  F2=  1.003   null   null  d=  3.4
assi (( resid  59 and name HB1 
      ))
     (( resid  81 and name HG2* 
      ))
           3.4 1.44 1.44
! peak number c 3106  F1=  0.909  F2=  2.822   null   null  d=  2.8
assi (( resid  59 and name HB2 
      ))
     (( resid  63 and name HD2* 
      ))
           2.8 0.98 0.98
! peak number n 1066  F1=  4.617  F2=  8.169   null   null  d=  3.2
assi (( resid  59 and name HN) or ( resid 108 and name HN 
      ))
     (( resid  60 and name HA) or ( resid 108 and name HA 
      ))
           3.2 1.32 1.32
! peak number c 2278  F1=  4.666  F2=  1.828   null   null  d=  3.5
assi (( resid  60 and name HA 
      ))
     (( resid  60 and name HB1 
      ))
           3.5 1.58 1.58
! peak number c 243  F1=  1.826  F2=  4.625   null   null  d=  5.1
assi (( resid  60 and name HA 
      ))
     (( resid  60 and name HB1) or ( resid 58 and name HB1 
      ))
           5.09 3.25 3.25
! peak number c 244  F1=  1.966  F2=  4.617   null   null  d=  4.1
assi (( resid  60 and name HA 
      ))
     (( resid  60 and name HB2 
      ))
           4.09 2.10 2.10
! peak number c 242  F1=  1.082  F2=  4.613   null   null  d=  4.0
assi (( resid  60 and name HA 
      ))
     (( resid  60 and name HG* 
      ))
           4 2.00 2.00
! peak number c 241  F1=  0.507  F2=  4.616   null   null  d=  4.8
assi (( resid  60 and name HA 
      ))
     (( resid  61 and name HG1* 
      ))
           4.8 2.88 2.88
! peak number n 1200  F1=  4.635  F2=  9.008   null   null  d=  3.6
assi (( resid  60 and name HA 
      ))
     (( resid  61 and name HN 
      ))
           3.6 0.90 0.90
! peak number c 2707  F1=  3.284  F2=  1.802   null   null  d=  3.8
assi (( resid  60 and name HB1 
      ))
     (( resid  60 and name HD* 
      ))
           3.8 1.80 1.80
! peak number c 2713  F1=  1.081  F2=  1.791   null   null  d=  3.2
assi (( resid  60 and name HB1 
      ))
     (( resid  60 and name HG* 
      ))
           3.2 1.28 1.28
! peak number n 1198  F1=  1.825  F2=  8.997   null   null  d=  3.6
assi (( resid  60 and name HB1 
      ))
     (( resid  61 and name HN 
      ))
           3.6 1.62 1.62
! peak number c 2706  F1=  3.291  F2=  1.954   null   null  d=  3.8
assi (( resid  60 and name HB2 
      ))
     (( resid  60 and name HD* 
      ))
           3.8 1.80 1.80
! peak number c 2708  F1=  1.071  F2=  1.954   null   null  d=  3.2
assi (( resid  60 and name HB2 
      ))
     (( resid  60 and name HG* 
      ))
           3.2 1.32 1.32
! peak number c 2703  F1=  8.991  F2=  1.947   null   null  d=  4.6
assi (( resid  60 and name HB2 
      ))
     (( resid  61 and name HN 
      ))
           4.59 2.64 2.64
! peak number c 3738  F1=  1.949  F2=  0.766   null   null  d=  3.5
assi (( resid  60 and name HB2 
      ))
     (( resid  81 and name HG1* 
      ))
           3.5 1.53 1.53
! peak number c 1315  F1=  1.968  F2=  7.095   null   null  d=  4.7
assi (( resid  60 and name HB2 
      ))
     (( resid  84 and name HD2 
      ))
           4.7 2.76 2.76
! peak number c 2719  F1=  3.278  F2=  1.071   null   null  d=  2.5
assi (( resid  60 and name HD* 
      ))
     (( resid  60 and name HG* 
      ))
           2.5 0.78 0.78
! peak number c 2714  F1=  8.993  F2=  1.069   null   null  d=  5.0
assi (( resid  60 and name HG* 
      ))
     (( resid  61 and name HN 
      ))
           5 3.12 3.12
! peak number c 2715  F1=  7.590  F2=  1.071   null   null  d=  4.5
assi (( resid  60 and name HG* 
      ))
     (( resid  84 and name HE1 
      ))
           4.5 2.53 2.53
! peak number c 2716  F1=  7.131  F2=  1.077   null   null  d=  4.9
assi (( resid  60 and name HG* 
      ))
     (( resid  93 and name HD*) or ( resid 84 and name HD2 
      ))
           4.9 3.00 3.00
! peak number c 2726  F1=  3.887  F2=  1.528   null   null  d=  4.7
assi (( resid  61 and name HA 
      ))
     (( resid  61 and name HB 
      ))
           4.7 2.76 2.76
! peak number c 247  F1=  0.483  F2=  3.869   null   null  d=  4.7
assi (( resid  61 and name HA 
      ))
     (( resid  61 and name HG1* 
      ))
           4.7 2.76 2.76
! peak number c 248  F1=  0.797  F2=  3.872   null   null  d=  3.7
assi (( resid  61 and name HA 
      ))
     (( resid  61 and name HG2* 
      ))
           3.7 1.71 1.71
! peak number c 3944  F1=  3.874  F2=  3.310   null   null  d=  4.2
assi (( resid  61 and name HA 
      ))
     (( resid  62 and name HD1 
      ))
           4.2 2.21 2.21
! peak number c 3943  F1=  3.865  F2=  3.500   null   null  d=  4.0
assi (( resid  61 and name HA 
      ))
     (( resid  62 and name HD2 
      ))
           4 2.00 2.00
! peak number c 2867  F1=  3.876  F2=  0.465   null   null  d=  4.6
assi (( resid  61 and name HA 
      ))
     (( resid  67 and name HG2* 
      ))
           4.59 2.64 2.64
! peak number c 2723  F1=  0.492  F2=  1.542   null   null  d=  3.1
assi (( resid  61 and name HB 
      ))
     (( resid  61 and name HG1* 
      ))
           3.1 1.20 1.20
! peak number c 2724  F1=  0.771  F2=  1.540   null   null  d=  3.1
assi (( resid  61 and name HB 
      ))
     (( resid  61 and name HG2* 
      ))
           3.1 1.20 1.20
! peak number c 2729  F1=  8.988  F2=  1.544   null   null  d=  3.7
assi (( resid  61 and name HB 
      ))
     (( resid  61 and name HN 
      ))
           3.7 1.71 1.71
! peak number c 3833  F1=  1.054  F2=  1.542   null   null  d=  4.4
assi (( resid  61 and name HB 
      ))
     (( resid  65 and name HG2*) or ( resid 60 and name HG* 
      ))
           4.4 2.42 2.42
! peak number c 2727  F1=  4.682  F2=  1.531   null   null  d=  4.2
assi (( resid  61 and name HB 
      ))
     (( resid  67 and name HA) or ( resid 60 and name HA 
      ))
           4.2 2.21 2.21
! peak number c 3775  F1=  1.538  F2=  1.005   null   null  d=  3.7
assi (( resid  61 and name HB 
      ))
     (( resid  81 and name HG2* 
      ))
           3.7 1.71 1.71
! peak number c 1313  F1=  1.535  F2=  7.098   null   null  d=  5.1
assi (( resid  61 and name HB 
      ))
     (( resid  84 and name HD2 
      ))
           5.09 3.25 3.25
! peak number c 2728  F1=  7.104  F2=  1.534   null   null  d=  3.7
assi (( resid  61 and name HB 
      ))
     (( resid  93 and name HD*) or ( resid 24 and name HD* 
      ))
           3.7 1.71 1.71
! peak number c 2656  F1=  1.500  F2=  0.647   null   null  d=  3.0
assi (( resid  61 and name HB) or ( resid 16 and name HB* 
      ))
     (( resid  61 and name HD1*) or ( resid 55 and name HD1* 
      ))
           3 1.12 1.12
! peak number c 2745  F1=  9.002  F2=  0.619   null   null  d=  3.4
assi (( resid  61 and name HD1* 
      ))
     (( resid  61 and name HN 
      ))
           3.4 1.44 1.44
! peak number c 2655  F1=  1.896  F2=  0.647   null   null  d=  2.8
assi (( resid  61 and name HD1* 
      ))
     (( resid  62 and name HG1 
      ))
           2.8 0.98 0.98
! peak number c 2658  F1=  0.326  F2=  0.647   null   null  d=  2.6
assi (( resid  61 and name HD1* 
      ))
     (( resid  67 and name HG1*) or ( resid 125 and name HD1* 
      ))
           2.6 0.85 0.85
! peak number n 1196  F1=  0.707  F2=  8.997   null   null  d=  3.4
assi (( resid  61 and name HD1*) or ( resid 111 and name HD2* 
      ))
     (( resid  61 and name HN 
      ))
           3.4 1.44 1.44
! peak number c 2743  F1=  0.479  F2=  0.788   null   null  d=  2.4
assi (( resid  61 and name HG1* 
      ))
     (( resid  61 and name HG2* 
      ))
           2.4 0.72 0.72
! peak number n 1194  F1=  0.521  F2=  9.000   null   null  d=  3.3
assi (( resid  61 and name HG1* 
      ))
     (( resid  61 and name HN 
      ))
           3.3 1.36 1.36
! peak number c 2730  F1=  8.991  F2=  0.790   null   null  d=  3.7
assi (( resid  61 and name HG2* 
      ))
     (( resid  61 and name HN 
      ))
           3.7 1.71 1.71
! peak number c 2766  F1=  0.781  F2=  2.388   null   null  d=  3.8
assi (( resid  61 and name HG2* 
      ))
     (( resid  62 and name HB2 
      ))
           3.8 1.80 1.80
! peak number c 3918  F1=  3.324  F2=  0.786   null   null  d=  3.5
assi (( resid  61 and name HG2* 
      ))
     (( resid  62 and name HD1 
      ))
           3.5 1.49 1.49
! peak number c 3940  F1=  0.779  F2=  3.502   null   null  d=  3.7
assi (( resid  61 and name HG2* 
      ))
     (( resid  62 and name HD2 
      ))
           3.7 1.71 1.71
! peak number c 2740  F1=  1.851  F2=  0.788   null   null  d=  2.9
assi (( resid  61 and name HG2* 
      ))
     (( resid  62 and name HG2 
      ))
           2.9 1.05 1.05
! peak number c 2735  F1=  4.132  F2=  0.777   null   null  d=  4.2
assi (( resid  61 and name HG2* 
      ))
     (( resid  65 and name HA 
      ))
           4.2 2.21 2.21
! peak number c 2737  F1=  3.584  F2=  0.785   null   null  d=  3.2
assi (( resid  61 and name HG2* 
      ))
     (( resid  65 and name HB 
      ))
           3.2 1.28 1.28
! peak number c 2598  F1=  0.772  F2=  1.062   null   null  d=  2.4
assi (( resid  61 and name HG2* 
      ))
     (( resid  65 and name HG2* 
      ))
           2.4 0.69 0.69
! peak number c 2731  F1=  7.279  F2=  0.783   null   null  d=  3.5
assi (( resid  61 and name HG2* 
      ))
     (( resid  65 and name HN 
      ))
           3.5 1.53 1.53
! peak number c 3741  F1=  8.578  F2=  0.795   null   null  d=  5.0
assi (( resid  61 and name HG2* 
      ))
     (( resid  66 and name HN 
      ))
           5 3.12 3.12
! peak number c 2734  F1=  4.688  F2=  0.778   null   null  d=  4.0
assi (( resid  61 and name HG2* 
      ))
     (( resid  67 and name HA 
      ))
           4 2.00 2.00
! peak number c 2859  F1=  0.757  F2=  0.302   null   null  d=  2.8
assi (( resid  61 and name HG2* 
      ))
     (( resid  67 and name HG1* 
      ))
           2.8 0.98 0.98
! peak number c 2739  F1=  2.186  F2=  0.788   null   null  d=  4.1
assi (( resid  61 and name HG2* 
      ))
     (( resid  81 and name HB 
      ))
           4.09 2.10 2.10
! peak number c 3742  F1=  8.409  F2=  0.783   null   null  d=  5.0
assi (( resid  61 and name HG2* 
      ))
     (( resid  81 and name HN 
      ))
           5 3.12 3.12
! peak number c 2862  F1=  8.972  F2=  0.301   null   null  d=  3.5
assi (( resid  61 and name HN 
      ))
     (( resid  67 and name HG1* 
      ))
           3.5 1.53 1.53
! peak number c 2861  F1=  8.977  F2=  0.456   null   null  d=  4.4
assi (( resid  61 and name HN 
      ))
     (( resid  67 and name HG2* 
      ))
           4.4 2.42 2.42
! peak number c 3731  F1=  9.000  F2=  0.763   null   null  d=  4.6
assi (( resid  61 and name HN 
      ))
     (( resid  81 and name HG1* 
      ))
           4.59 2.64 2.64
! peak number c 3034  F1=  8.981  F2=  1.002   null   null  d=  3.0
assi (( resid  61 and name HN 
      ))
     (( resid  81 and name HG2* 
      ))
           3 1.12 1.12
! peak number c 1318  F1=  9.006  F2=  7.105   null   null  d=  4.0
assi (( resid  61 and name HN 
      ))
     (( resid  84 and name HD2 
      ))
           4 2.05 2.05
! peak number c 251  F1=  1.907  F2=  4.494   null   null  d=  3.2
assi (( resid  62 and name HA 
      ))
     (( resid  62 and name HB1 
      ))
           3.2 1.28 1.28
! peak number c 250  F1=  2.390  F2=  4.483   null   null  d=  3.0
assi (( resid  62 and name HA 
      ))
     (( resid  62 and name HB2 
      ))
           3 1.16 1.16
! peak number c 3933  F1=  4.467  F2=  1.901   null   null  d=  4.1
assi (( resid  62 and name HA 
      ))
     (( resid  62 and name HG1 
      ))
           4.09 2.10 2.10
! peak number c 3932  F1=  4.469  F2=  1.837   null   null  d=  5.2
assi (( resid  62 and name HA 
      ))
     (( resid  62 and name HG2 
      ))
           5.2 3.38 3.38
! peak number n 879  F1=  4.500  F2=  8.488   null   null  d=  2.7
assi (( resid  62 and name HA 
      ))
     (( resid  63 and name HN 
      ))
           2.7 0.68 0.68
! peak number c 509  F1=  3.613  F2=  4.456   null   null  d=  4.1
assi (( resid  62 and name HA) or ( resid 127 and name HA 
      ))
     (( resid  65 and name HB) or ( resid 127 and name HD* 
      ))
           4.09 2.10 2.10
! peak number c 3819  F1=  4.467  F2=  1.451   null   null  d=  4.2
assi (( resid  62 and name HA) or ( resid 57 and name HA 
      ))
     (( resid  63 and name HB1) or ( resid 12 and name HB1 
      ))
           4.2 2.21 2.21
! peak number c 2792  F1=  4.482  F2=  0.615   null   null  d=  3.9
assi (( resid  62 and name HA) or ( resid 59 and name HA 
      ))
     (( resid  63 and name HD1* 
      ))
           3.9 1.90 1.90
! peak number c 3848  F1=  4.472  F2=  1.731   null   null  d=  3.6
assi (( resid  62 and name HA) or ( resid 59 and name HA) or ( resid 117 and name HA 
      ))
     (( resid  63 and name HG) or ( resid 118 and name HG1 
      ))
           3.6 1.62 1.62
! peak number c 2763  F1=  2.396  F2=  1.906   null   null  d=  2.6
assi (( resid  62 and name HB1 
      ))
     (( resid  62 and name HB2 
      ))
           2.6 0.88 0.88
! peak number c 3923  F1=  3.330  F2=  1.905   null   null  d=  4.3
assi (( resid  62 and name HB1 
      ))
     (( resid  62 and name HD1 
      ))
           4.3 2.31 2.31
! peak number c 2753  F1=  8.481  F2=  1.899   null   null  d=  3.4
assi (( resid  62 and name HB1 
      ))
     (( resid  63 and name HN 
      ))
           3.4 1.40 1.40
! peak number c 3926  F1=  2.408  F2=  1.899   null   null  d=  4.0
assi (( resid  62 and name HB2 
      ))
     (( resid  62 and name HG1 
      ))
           4 2.00 2.00
! peak number c 3927  F1=  2.383  F2=  1.839   null   null  d=  4.0
assi (( resid  62 and name HB2 
      ))
     (( resid  62 and name HG2 
      ))
           4 2.00 2.00
! peak number c 2754  F1=  8.475  F2=  2.389   null   null  d=  3.4
assi (( resid  62 and name HB2 
      ))
     (( resid  63 and name HN 
      ))
           3.4 1.44 1.44
! peak number c 3942  F1=  3.320  F2=  3.500   null   null  d=  3.8
assi (( resid  62 and name HD1 
      ))
     (( resid  62 and name HD2 
      ))
           3.8 1.76 1.76
! peak number c 3946  F1=  1.880  F2=  3.317   null   null  d=  3.6
assi (( resid  62 and name HD1 
      ))
     (( resid  62 and name HG1 
      ))
           3.6 1.62 1.62
! peak number c 3929  F1=  3.529  F2=  1.903   null   null  d=  3.6
assi (( resid  62 and name HD2 
      ))
     (( resid  62 and name HG1 
      ))
           3.6 1.62 1.62
! peak number c 3938  F1=  8.471  F2=  1.901   null   null  d=  4.6
assi (( resid  62 and name HG1 
      ))
     (( resid  63 and name HN 
      ))
           4.59 2.64 2.64
! peak number c 3939  F1=  8.477  F2=  1.837   null   null  d=  5.6 dist trop loin
! peak number c 257  F1=  1.473  F2=  3.680   null   null  d=  4.1
assi (( resid  63 and name HA 
      ))
     (( resid  63 and name HB1 
      ))
           4.09 2.10 2.10
! peak number c 258  F1=  1.663  F2=  3.685   null   null  d=  4.0
assi (( resid  63 and name HA 
      ))
     (( resid  63 and name HB2 
      ))
           4 1.95 1.95
! peak number c 252  F1=  0.626  F2=  3.680   null   null  d=  3.2
assi (( resid  63 and name HA 
      ))
     (( resid  63 and name HD1* 
      ))
           3.2 1.32 1.32
! peak number c 256  F1=  0.924  F2=  3.691   null   null  d=  4.0
assi (( resid  63 and name HA 
      ))
     (( resid  63 and name HD2* 
      ))
           4 1.95 1.95
! peak number c 259  F1=  1.718  F2=  3.680   null   null  d=  3.9
assi (( resid  63 and name HA 
      ))
     (( resid  63 and name HG 
      ))
           3.9 1.95 1.95
! peak number n 878  F1=  3.699  F2=  8.480   null   null  d=  3.4
assi (( resid  63 and name HA 
      ))
     (( resid  63 and name HN 
      ))
           3.4 0.85 0.85
! peak number n 448  F1=  3.689  F2=  9.368   null   null  d=  2.7
assi (( resid  63 and name HA 
      ))
     (( resid  64 and name HN 
      ))
           2.7 0.68 0.68
! peak number c 254  F1=  0.871  F2=  3.679   null   null  d=  4.4
assi (( resid  63 and name HA 
      ))
     (( resid  80 and name HG2* 
      ))
           4.4 2.42 2.42
! peak number c 2993  F1=  3.671  F2=  2.189   null   null  d=  4.5
assi (( resid  63 and name HA 
      ))
     (( resid  81 and name HB 
      ))
           4.5 2.53 2.53
! peak number c 253  F1=  0.762  F2=  3.683   null   null  d=  5.1
assi (( resid  63 and name HA 
      ))
     (( resid  81 and name HG1* 
      ))
           5.09 3.25 3.25
! peak number c 255  F1=  1.023  F2=  3.678   null   null  d=  3.5
assi (( resid  63 and name HA 
      ))
     (( resid  81 and name HG2* 
      ))
           3.5 1.53 1.53
! peak number c 2046  F1=  1.662  F2=  1.456   null   null  d=  2.5
assi (( resid  63 and name HB1 
      ))
     (( resid  63 and name HB2 
      ))
           2.5 0.78 0.78
! peak number c 2796  F1=  1.455  F2=  0.616   null   null  d=  2.8
assi (( resid  63 and name HB1 
      ))
     (( resid  63 and name HD1* 
      ))
           2.8 0.98 0.98
! peak number c 2779  F1=  0.913  F2=  1.454   null   null  d=  2.9
assi (( resid  63 and name HB1 
      ))
     (( resid  63 and name HD2* 
      ))
           2.9 1.05 1.05
! peak number c 2776  F1=  8.483  F2=  1.458   null   null  d=  3.5
assi (( resid  63 and name HB1 
      ))
     (( resid  63 and name HN 
      ))
           3.5 1.53 1.53
! peak number c 2775  F1=  9.348  F2=  1.452   null   null  d=  3.9
assi (( resid  63 and name HB1 
      ))
     (( resid  64 and name HN 
      ))
           3.9 1.90 1.90
! peak number c 1326  F1=  1.483  F2=  7.602   null   null  d=  6.0 dist trop loin
! peak number c 2778  F1=  0.645  F2=  1.455   null   null  d=  3.4
assi (( resid  63 and name HB1) or ( resid 12 and name HB1 
      ))
     (( resid  63 and name HD1*) or ( resid 14 and name HG2* 
      ))
           3.4 1.44 1.44
! peak number c 3841  F1=  8.475  F2=  1.657   null   null  d=  3.2
assi (( resid  63 and name HB2 
      ))
     (( resid  63 and name HN 
      ))
           3.2 1.32 1.32
! peak number c 2774  F1=  9.352  F2=  1.656   null   null  d=  4.7
assi (( resid  63 and name HB2 
      ))
     (( resid  64 and name HN 
      ))
           4.7 2.76 2.76
! peak number c 2797  F1=  0.920  F2=  0.617   null   null  d=  2.2
assi (( resid  63 and name HD1* 
      ))
     (( resid  63 and name HD2* 
      ))
           2.2 0.63 0.63
! peak number c 2795  F1=  1.717  F2=  0.613   null   null  d=  2.8
assi (( resid  63 and name HD1* 
      ))
     (( resid  63 and name HG 
      ))
           2.8 0.98 0.98
! peak number c 2789  F1=  8.476  F2=  0.617   null   null  d=  3.5
assi (( resid  63 and name HD1* 
      ))
     (( resid  63 and name HN 
      ))
           3.5 1.53 1.53
! peak number c 2788  F1=  9.371  F2=  0.614   null   null  d=  3.4
assi (( resid  63 and name HD1* 
      ))
     (( resid  64 and name HN 
      ))
           3.4 1.45 1.45
! peak number c 231  F1=  0.622  F2=  4.748   null   null  d=  4.0
assi (( resid  63 and name HD1* 
      ))
     (( resid  82 and name HA 
      ))
           4 1.95 1.95
! peak number c 3714  F1=  1.905  F2=  0.612   null   null  d=  3.4
assi (( resid  63 and name HD1* 
      ))
     (( resid  82 and name HB1 
      ))
           3.4 1.44 1.44
! peak number c 2793  F1=  4.054  F2=  0.617   null   null  d=  2.9
assi (( resid  63 and name HD1* 
      ))
     (( resid  83 and name HA* 
      ))
           2.9 1.05 1.05
! peak number n 296  F1=  0.647  F2=  7.466   null   null  d=  3.5
assi (( resid  63 and name HD1* 
      ))
     (( resid  83 and name HN 
      ))
           3.5 1.53 1.53
! peak number c 329  F1=  0.659  F2=  5.796   null   null  d=  4.2
assi (( resid  63 and name HD1* 
      ))
     (( resid  84 and name HA 
      ))
           4.2 2.21 2.21
! peak number c 3713  F1=  2.880  F2=  0.617   null   null  d=  4.5
assi (( resid  63 and name HD1* 
      ))
     (( resid  84 and name HB1) or ( resid 64 and name HB1 
      ))
           4.5 2.53 2.53
! peak number c 1320  F1=  0.611  F2=  7.602   null   null  d=  3.5
assi (( resid  63 and name HD1* 
      ))
     (( resid  84 and name HE1 
      ))
           3.5 1.58 1.58
! peak number n 591  F1=  0.650  F2=  8.618   null   null  d=  3.3
assi (( resid  63 and name HD1* 
      ))
     (( resid  84 and name HN 
      ))
           3.3 1.36 1.36
! peak number c 2806  F1=  1.716  F2=  0.905   null   null  d=  2.6
assi (( resid  63 and name HD2* 
      ))
     (( resid  63 and name HG 
      ))
           2.6 0.84 0.84
! peak number c 2799  F1=  8.476  F2=  0.902   null   null  d=  3.2
assi (( resid  63 and name HD2* 
      ))
     (( resid  63 and name HN 
      ))
           3.2 1.32 1.32
! peak number c 2798  F1=  9.363  F2=  0.902   null   null  d=  3.8
assi (( resid  63 and name HD2* 
      ))
     (( resid  64 and name HN 
      ))
           3.8 1.85 1.85
! peak number c 1321  F1=  0.907  F2=  7.602   null   null  d=  4.2
assi (( resid  63 and name HD2* 
      ))
     (( resid  84 and name HE1 
      ))
           4.2 2.26 2.26
! peak number c 2802  F1=  4.080  F2=  0.899   null   null  d=  3.6
assi (( resid  63 and name HD2*) or ( resid 113 and name HD2* 
      ))
     (( resid  83 and name HA*) or ( resid 112 and name HB* 
      ))
           3.6 1.62 1.62
! peak number c 2787  F1=  8.476  F2=  1.732   null   null  d=  2.9
assi (( resid  63 and name HG 
      ))
     (( resid  63 and name HN 
      ))
           2.9 1.05 1.05
! peak number c 3847  F1=  9.348  F2=  1.731   null   null  d=  4.8
assi (( resid  63 and name HG 
      ))
     (( resid  64 and name HN 
      ))
           4.8 2.88 2.88
! peak number c 3774  F1=  1.707  F2=  1.005   null   null  d=  3.6
assi (( resid  63 and name HG 
      ))
     (( resid  81 and name HG2* 
      ))
           3.6 1.62 1.62
! peak number c 1323  F1=  1.729  F2=  7.602   null   null  d=  3.5
assi (( resid  63 and name HG 
      ))
     (( resid  84 and name HE1 
      ))
           3.5 1.53 1.53
! peak number n 451  F1=  8.495  F2=  9.360   null   null  d=  3.8
assi (( resid  63 and name HN 
      ))
     (( resid  64 and name HN 
      ))
           3.8 0.95 0.95
! peak number c 1325  F1=  8.466  F2=  7.602   null   null  d=  3.5
assi (( resid  63 and name HN 
      ))
     (( resid  84 and name HE1 
      ))
           3.5 1.53 1.53
! peak number c 260  F1=  2.850  F2=  4.227   null   null  d=  3.1
assi (( resid  64 and name HA 
      ))
     (( resid  64 and name HB1 
      ))
           3.1 1.24 1.24
! peak number c 261  F1=  2.959  F2=  4.224   null   null  d=  3.2
assi (( resid  64 and name HA 
      ))
     (( resid  64 and name HB2 
      ))
           3.2 1.32 1.32
! peak number n 449  F1=  4.247  F2=  9.366   null   null  d=  2.8
assi (( resid  64 and name HA 
      ))
     (( resid  64 and name HN 
      ))
           2.8 0.70 0.70
! peak number n 466  F1=  4.255  F2=  7.300   null   null  d=  3.1
assi (( resid  64 and name HA 
      ))
     (( resid  65 and name HN 
      ))
           3.1 0.78 0.78
! peak number c 262  F1=  0.772  F2=  4.224   null   null  d=  3.2
assi (( resid  64 and name HA 
      ))
     (( resid  80 and name HG1* 
      ))
           3.2 1.28 1.28
! peak number c 2811  F1=  2.957  F2=  2.864   null   null  d=  2.5
assi (( resid  64 and name HB1 
      ))
     (( resid  64 and name HB2 
      ))
           2.5 0.78 0.78
! peak number c 2818  F1=  9.351  F2=  2.859   null   null  d=  4.0
assi (( resid  64 and name HB1 
      ))
     (( resid  64 and name HN 
      ))
           4 2.00 2.00
! peak number c 2816  F1=  7.294  F2=  2.849   null   null  d=  4.6
assi (( resid  64 and name HB1 
      ))
     (( resid  65 and name HN 
      ))
           4.59 2.64 2.64
! peak number c 2810  F1=  0.782  F2=  2.853   null   null  d=  4.1
assi (( resid  64 and name HB1 
      ))
     (( resid  81 and name HG1*) or ( resid 61 and name HG2* 
      ))
           4.09 2.10 2.10
! peak number c 2817  F1=  9.356  F2=  2.953   null   null  d=  3.8
assi (( resid  64 and name HB2 
      ))
     (( resid  64 and name HN 
      ))
           3.8 1.80 1.80
! peak number c 2815  F1=  7.276  F2=  2.949   null   null  d=  4.4
assi (( resid  64 and name HB2 
      ))
     (( resid  65 and name HN 
      ))
           4.4 2.42 2.42
! peak number c 2809  F1=  0.777  F2=  2.953   null   null  d=  3.8
assi (( resid  64 and name HB2 
      ))
     (( resid  81 and name HG1*) or ( resid 61 and name HG2* 
      ))
           3.8 1.80 1.80
! peak number c 3025  F1=  2.959  F2=  1.007   null   null  d=  3.2
assi (( resid  64 and name HB2 
      ))
     (( resid  81 and name HG2* 
      ))
           3.2 1.28 1.28
! peak number n 450  F1=  7.302  F2=  9.365   null   null  d=  3.0
assi (( resid  64 and name HN 
      ))
     (( resid  65 and name HN 
      ))
           3 0.76 0.76
! peak number n 442  F1=  0.807  F2=  9.365   null   null  d=  3.0
assi (( resid  64 and name HN 
      ))
     (( resid  80 and name HG1*) or ( resid 61 and name HG2* 
      ))
           3 1.12 1.12
! peak number c 2996  F1=  9.369  F2=  2.186   null   null  d=  4.2
assi (( resid  64 and name HN 
      ))
     (( resid  81 and name HB 
      ))
           4.2 2.26 2.26
! peak number n 444  F1=  1.038  F2=  9.361   null   null  d=  3.4
assi (( resid  64 and name HN 
      ))
     (( resid  81 and name HG1* 
      ))
           3.4 1.44 1.44
! peak number c 266  F1=  3.612  F2=  4.136   null   null  d=  4.0
assi (( resid  65 and name HA 
      ))
     (( resid  65 and name HB 
      ))
           4 2.00 2.00
! peak number c 265  F1=  1.063  F2=  4.141   null   null  d=  3.0
assi (( resid  65 and name HA 
      ))
     (( resid  65 and name HG2* 
      ))
           3 1.12 1.12
! peak number n 465  F1=  4.157  F2=  7.300   null   null  d=  2.9
assi (( resid  65 and name HA 
      ))
     (( resid  65 and name HN 
      ))
           2.9 0.72 0.72
! peak number n 50  F1=  4.166  F2=  8.616   null   null  d=  2.4
assi (( resid  65 and name HA 
      ))
     (( resid  66 and name HN 
      ))
           2.4 0.60 0.60
! peak number c 264  F1=  0.785  F2=  4.143   null   null  d=  3.7
assi (( resid  65 and name HA 
      ))
     (( resid  80 and name HG1*) or ( resid 61 and name HG2* 
      ))
           3.7 1.71 1.71
! peak number n 1186  F1=  4.157  F2=  8.415   null   null  d=  3.5
assi (( resid  65 and name HA 
      ))
     (( resid  81 and name HN 
      ))
           3.5 0.88 0.88
! peak number c 2820  F1=  1.056  F2=  3.604   null   null  d=  3.4
assi (( resid  65 and name HB 
      ))
     (( resid  65 and name HG2* 
      ))
           3.4 1.44 1.44
! peak number c 2822  F1=  7.288  F2=  3.609   null   null  d=  3.5
assi (( resid  65 and name HB 
      ))
     (( resid  65 and name HN 
      ))
           3.5 1.49 1.49
! peak number c 2823  F1=  8.582  F2=  3.606   null   null  d=  5.2
assi (( resid  65 and name HB 
      ))
     (( resid  66 and name HN 
      ))
           5.2 3.38 3.38
! peak number c 2868  F1=  3.627  F2=  0.455   null   null  d=  3.8
assi (( resid  65 and name HB 
      ))
     (( resid  67 and name HG2* 
      ))
           3.8 1.80 1.80
! peak number c 3008  F1=  3.622  F2=  0.768   null   null  d=  3.3
assi (( resid  65 and name HB 
      ))
     (( resid  81 and name HG1* 
      ))
           3.3 1.36 1.36
! peak number n 462  F1=  1.083  F2=  7.300   null   null  d=  2.9
assi (( resid  65 and name HG2* 
      ))
     (( resid  65 and name HN 
      ))
           2.9 1.05 1.05
! peak number c 2583  F1=  4.747  F2=  1.073   null   null  d=  2.9
assi (( resid  65 and name HG2* 
      ))
     (( resid  66 and name HA 
      ))
           2.9 1.05 1.05
! peak number c 3512  F1=  1.031  F2=  1.965   null   null  d=  3.5
assi (( resid  65 and name HG2* 
      ))
     (( resid  66 and name HB* 
      ))
           3.5 1.53 1.53
! peak number c 2824  F1=  8.587  F2=  1.063   null   null  d=  3.0
assi (( resid  65 and name HG2* 
      ))
     (( resid  66 and name HN 
      ))
           3 1.09 1.09
! peak number c 2858  F1=  1.041  F2=  0.304   null   null  d=  3.7
assi (( resid  65 and name HG2* 
      ))
     (( resid  67 and name HG1* 
      ))
           3.7 1.71 1.71
! peak number c 2599  F1=  0.456  F2=  1.068   null   null  d=  2.6
assi (( resid  65 and name HG2* 
      ))
     (( resid  67 and name HG2* 
      ))
           2.6 0.84 0.84
! peak number c 2825  F1=  7.287  F2=  1.061   null   null  d=  3.1
assi (( resid  65 and name HG2*) or ( resid 50 and name HG2* 
      ))
     (( resid  65 and name HN) or ( resid 18 and name HE3 
      ))
           3.1 1.20 1.20
! peak number n 471  F1=  8.608  F2=  7.306   null   null  d=  4.0
assi (( resid  65 and name HN 
      ))
     (( resid  66 and name HN 
      ))
           4 1.01 1.01
! peak number n 459  F1=  0.485  F2=  7.302   null   null  d=  3.8
assi (( resid  65 and name HN 
      ))
     (( resid  67 and name HG2* 
      ))
           3.8 1.80 1.80
! peak number n 460  F1=  0.806  F2=  7.298   null   null  d=  2.7
assi (( resid  65 and name HN 
      ))
     (( resid  80 and name HG1*) or ( resid 61 and name HG2* 
      ))
           2.7 0.91 0.91
! peak number n 461  F1=  0.918  F2=  7.302   null   null  d=  3.7
assi (( resid  65 and name HN 
      ))
     (( resid  80 and name HG2* 
      ))
           3.7 1.71 1.71
! peak number c 2994  F1=  7.286  F2=  2.187   null   null  d=  3.5
assi (( resid  65 and name HN 
      ))
     (( resid  81 and name HB 
      ))
           3.5 1.53 1.53
! peak number n 118  F1=  7.295  F2=  8.407   null   null  d=  3.5
assi (( resid  65 and name HN 
      ))
     (( resid  81 and name HN 
      ))
           3.5 0.89 0.89
! peak number c 269  F1=  1.965  F2=  4.759   null   null  d=  3.2
assi (( resid  66 and name HA 
      ))
     (( resid  66 and name HB* 
      ))
           3.2 1.32 1.32
! peak number c 272  F1=  2.289  F2=  4.770   null   null  d=  4.2
assi (( resid  66 and name HA 
      ))
     (( resid  66 and name HG1 
      ))
           4.2 2.21 2.21
! peak number c 2838  F1=  4.740  F2=  2.358   null   null  d=  3.3
assi (( resid  66 and name HA 
      ))
     (( resid  66 and name HG2 
      ))
           3.3 1.36 1.36
! peak number n 55  F1=  4.764  F2=  8.617   null   null  d=  2.8
assi (( resid  66 and name HA 
      ))
     (( resid  66 and name HN 
      ))
           2.8 0.70 0.70
! peak number n 666  F1=  4.778  F2=  8.811   null   null  d=  2.8
assi (( resid  66 and name HA 
      ))
     (( resid  67 and name HN 
      ))
           2.8 0.70 0.70
! peak number c 268  F1=  4.921  F2=  4.749   null   null  d=  3.5
assi (( resid  66 and name HA 
      ))
     (( resid  80 and name HA 
      ))
           3.5 0.88 0.88
! peak number c 270  F1=  0.890  F2=  4.756   null   null  d=  4.3
assi (( resid  66 and name HA 
      ))
     (( resid  80 and name HG2* 
      ))
           4.3 2.31 2.31
! peak number c 2836  F1=  2.274  F2=  1.976   null   null  d=  2.2
assi (( resid  66 and name HB* 
      ))
     (( resid  66 and name HG1 
      ))
           2.2 0.61 0.61
! peak number c 2829  F1=  8.586  F2=  1.965   null   null  d=  2.8
assi (( resid  66 and name HB* 
      ))
     (( resid  66 and name HN 
      ))
           2.8 0.95 0.95
! peak number c 2830  F1=  8.790  F2=  1.964   null   null  d=  3.5
assi (( resid  66 and name HB* 
      ))
     (( resid  67 and name HN 
      ))
           3.5 1.53 1.53
! peak number c 3798  F1=  1.992  F2=  1.310   null   null  d=  4.4
assi (( resid  66 and name HB* 
      ))
     (( resid  78 and name HB* 
      ))
           4.4 2.42 2.42
! peak number c 316  F1=  1.966  F2=  4.935   null   null  d=  4.3
assi (( resid  66 and name HB* 
      ))
     (( resid  80 and name HA 
      ))
           4.3 2.31 2.31
! peak number c 2835  F1=  0.836  F2=  1.972   null   null  d=  2.7
assi (( resid  66 and name HB* 
      ))
     (( resid  80 and name HG2* 
      ))
           2.7 0.91 0.91
! peak number n 48  F1=  2.223  F2=  8.615   null   null  d=  3.8
assi (( resid  66 and name HG1 
      ))
     (( resid  66 and name HN 
      ))
           3.8 1.80 1.80
! peak number n 661  F1=  2.227  F2=  8.815   null   null  d=  3.7
assi (( resid  66 and name HG1 
      ))
     (( resid  67 and name HN 
      ))
           3.7 1.71 1.71
! peak number c 2969  F1=  2.248  F2=  1.313   null   null  d=  3.5
assi (( resid  66 and name HG1 
      ))
     (( resid  78 and name HB* 
      ))
           3.5 1.53 1.53
! peak number c 3700  F1=  2.271  F2=  0.464   null   null  d=  3.8
assi (( resid  66 and name HG1) or ( resid 115 and name HB2 
      ))
     (( resid  67 and name HG2* 
      ))
           3.8 1.80 1.80
! peak number n 49  F1=  2.331  F2=  8.615   null   null  d=  3.7
assi (( resid  66 and name HG2 
      ))
     (( resid  66 and name HN 
      ))
           3.7 1.71 1.71
! peak number n 660  F1=  2.313  F2=  8.820   null   null  d=  4.1
assi (( resid  66 and name HG2 
      ))
     (( resid  67 and name HN 
      ))
           4.09 2.10 2.10
! peak number c 3874  F1=  8.539  F2=  2.367   null   null  d=  4.8
assi (( resid  66 and name HG2 
      ))
     (( resid  78 and name HN 
      ))
           4.8 2.88 2.88
! peak number n 54  F1=  8.812  F2=  8.617   null   null  d=  4.4
assi (( resid  66 and name HN 
      ))
     (( resid  67 and name HN 
      ))
           4.4 1.10 1.10
! peak number n 45  F1=  0.805  F2=  8.612   null   null  d=  3.5
assi (( resid  66 and name HN 
      ))
     (( resid  80 and name HG1*) or ( resid 61 and name HG2* 
      ))
           3.5 1.53 1.53
! peak number c 276  F1=  2.067  F2=  4.677   null   null  d=  3.8
assi (( resid  67 and name HA 
      ))
     (( resid  67 and name HB 
      ))
           3.8 1.85 1.85
! peak number c 273  F1=  0.278  F2=  4.678   null   null  d=  3.9
assi (( resid  67 and name HA 
      ))
     (( resid  67 and name HG1* 
      ))
           3.9 1.90 1.90
! peak number c 274  F1=  0.456  F2=  4.683   null   null  d=  3.1
assi (( resid  67 and name HA 
      ))
     (( resid  67 and name HG2* 
      ))
           3.1 1.20 1.20
! peak number n 656  F1=  4.693  F2=  8.804   null   null  d=  3.1
assi (( resid  67 and name HA 
      ))
     (( resid  67 and name HN 
      ))
           3.1 0.78 0.78
! peak number c 2855  F1=  2.051  F2=  0.304   null   null  d=  3.2
assi (( resid  67 and name HB 
      ))
     (( resid  67 and name HG1* 
      ))
           3.2 1.28 1.28
! peak number c 2849  F1=  0.455  F2=  2.059   null   null  d=  3.0
assi (( resid  67 and name HB 
      ))
     (( resid  67 and name HG2* 
      ))
           3 1.12 1.12
! peak number c 2874  F1=  2.068  F2=  0.908   null   null  d=  2.5
assi (( resid  67 and name HB 
      ))
     (( resid  68 and name HG2* 
      ))
           2.5 0.78 0.78
! peak number c 2847  F1=  8.834  F2=  2.063   null   null  d=  3.3
assi (( resid  67 and name HB 
      ))
     (( resid  68 and name HN 
      ))
           3.3 1.33 1.33
! peak number n 1274  F1=  2.070  F2=  8.407   null   null  d=  3.4
assi (( resid  67 and name HB 
      ))
     (( resid  81 and name HN 
      ))
           3.4 1.44 1.44
! peak number c 2873  F1=  0.279  F2=  0.458   null   null  d=  2.6
assi (( resid  67 and name HG1* 
      ))
     (( resid  67 and name HG2* 
      ))
           2.6 0.85 0.85
! peak number c 2851  F1=  8.805  F2=  0.300   null   null  d=  3.0
assi (( resid  67 and name HG1* 
      ))
     (( resid  67 and name HN 
      ))
           3 1.12 1.12
! peak number c 2854  F1=  4.710  F2=  0.299   null   null  d=  3.1
assi (( resid  67 and name HG1* 
      ))
     (( resid  68 and name HA) or ( resid 66 and name HA 
      ))
           3.1 1.20 1.20
! peak number n 583  F1=  0.339  F2=  8.844   null   null  d=  3.0
assi (( resid  67 and name HG1* 
      ))
     (( resid  68 and name HN 
      ))
           3 1.12 1.12
! peak number c 3694  F1=  5.208  F2=  0.301   null   null  d=  4.4
assi (( resid  67 and name HG1* 
      ))
     (( resid  78 and name HA 
      ))
           4.4 2.42 2.42
! peak number c 2853  F1=  4.936  F2=  0.299   null   null  d=  3.8
assi (( resid  67 and name HG1* 
      ))
     (( resid  80 and name HA 
      ))
           3.8 1.80 1.80
! peak number c 2860  F1=  8.808  F2=  0.455   null   null  d=  3.3
assi (( resid  67 and name HG2* 
      ))
     (( resid  67 and name HN 
      ))
           3.3 1.36 1.36
! peak number n 581  F1=  0.485  F2=  8.850   null   null  d=  3.0
assi (( resid  67 and name HG2* 
      ))
     (( resid  68 and name HN 
      ))
           3 1.12 1.12
! peak number c 2865  F1=  4.923  F2=  0.457   null   null  d=  4.3
assi (( resid  67 and name HG2* 
      ))
     (( resid  80 and name HA 
      ))
           4.3 2.31 2.31
! peak number c 2872  F1=  0.770  F2=  0.457   null   null  d=  2.2
assi (( resid  67 and name HG2* 
      ))
     (( resid  81 and name HG1*) or ( resid 61 and name HG2* 
      ))
           2.2 0.61 0.61
! peak number c 3022  F1=  0.447  F2=  1.006   null   null  d=  3.1
assi (( resid  67 and name HG2* 
      ))
     (( resid  81 and name HG2* 
      ))
           3.1 1.20 1.20
! peak number c 2863  F1=  8.373  F2=  0.455   null   null  d=  4.6
assi (( resid  67 and name HG2* 
      ))
     (( resid  81 and name HN 
      ))
           4.59 2.64 2.64
! peak number n 1269  F1=  8.825  F2=  8.364   null   null  d=  4.1
assi (( resid  67 and name HN 
      ))
     (( resid  79 and name HN 
      ))
           4.09 1.02 1.02
! peak number c 3732  F1=  8.798  F2=  0.776   null   null  d=  4.6
assi (( resid  67 and name HN 
      ))
     (( resid  81 and name HG1* 
      ))
           4.59 2.64 2.64
! peak number n 659  F1=  8.391  F2=  8.821   null   null  d=  3.6
assi (( resid  67 and name HN 
      ))
     (( resid  81 and name HN) or ( resid 79 and name HN 
      ))
           3.6 1.62 1.62
! peak number c 279  F1=  3.807  F2=  4.705   null   null  d=  4.8
assi (( resid  68 and name HA 
      ))
     (( resid  68 and name HB 
      ))
           4.8 2.88 2.88
! peak number c 281  F1=  0.942  F2=  4.706   null   null  d=  3.0
assi (( resid  68 and name HA 
      ))
     (( resid  68 and name HG2* 
      ))
           3 1.16 1.16
! peak number c 2890  F1=  4.710  F2=  0.405   null   null  d=  3.5
assi (( resid  68 and name HA 
      ))
     (( resid  69 and name HB* 
      ))
           3.5 1.53 1.53
! peak number n 60  F1=  4.730  F2=  8.765   null   null  d=  2.5
assi (( resid  68 and name HA 
      ))
     (( resid  69 and name HN 
      ))
           2.5 0.62 0.62
! peak number c 280  F1=  1.309  F2=  4.706   null   null  d=  3.3
assi (( resid  68 and name HA 
      ))
     (( resid  78 and name HB* 
      ))
           3.3 1.36 1.36
! peak number n 578  F1=  4.708  F2=  8.847   null   null  d=  2.6
assi (( resid  68 and name HA) or ( resid 67 and name HA 
      ))
     (( resid  68 and name HN 
      ))
           2.6 0.85 0.85
! peak number c 2879  F1=  3.829  F2=  0.934   null   null  d=  3.0
assi (( resid  68 and name HB 
      ))
     (( resid  68 and name HG2* 
      ))
           3 1.12 1.12
! peak number n 577  F1=  3.843  F2=  8.847   null   null  d=  3.6
assi (( resid  68 and name HB 
      ))
     (( resid  68 and name HN 
      ))
           3.6 1.62 1.62
! peak number n 59  F1=  3.868  F2=  8.769   null   null  d=  4.0
assi (( resid  68 and name HB 
      ))
     (( resid  69 and name HN 
      ))
           4 2.00 2.00
! peak number c 2966  F1=  3.834  F2=  2.888   null   null  d=  4.4
assi (( resid  68 and name HB 
      ))
     (( resid  76 and name HB* 
      ))
           4.4 2.42 2.42
! peak number c 2884  F1=  0.422  F2=  0.932   null   null  d=  3.3
assi (( resid  68 and name HG2* 
      ))
     (( resid  69 and name HB* 
      ))
           3.3 1.36 1.36
! peak number c 2883  F1=  8.766  F2=  0.925   null   null  d=  3.0
assi (( resid  68 and name HG2* 
      ))
     (( resid  69 and name HN 
      ))
           3 1.09 1.09
! peak number c 2931  F1=  0.929  F2=  0.558   null   null  d=  3.6
assi (( resid  68 and name HG2* 
      ))
     (( resid  70 and name HD1* 
      ))
           3.6 1.62 1.62
! peak number c 2878  F1=  2.916  F2=  0.930   null   null  d=  3.1
assi (( resid  68 and name HG2* 
      ))
     (( resid  76 and name HB* 
      ))
           3.1 1.24 1.24
! peak number c 1227  F1=  0.922  F2=  6.961   null   null  d=  3.9
assi (( resid  68 and name HG2* 
      ))
     (( resid  76 and name HD* 
      ))
           3.9 1.95 1.95
! peak number c 1226  F1=  0.931  F2=  7.074   null   null  d=  5.2
assi (( resid  68 and name HG2* 
      ))
     (( resid  76 and name HE* 
      ))
           5.2 3.38 3.38
! peak number c 3764  F1=  8.442  F2=  0.924   null   null  d=  3.8
assi (( resid  68 and name HG2* 
      ))
     (( resid  77 and name HN 
      ))
           3.8 1.76 1.76
! peak number c 313  F1=  0.945  F2=  5.184   null   null  d=  4.9
assi (( resid  68 and name HG2* 
      ))
     (( resid  78 and name HA 
      ))
           4.9 3.00 3.00
! peak number c 3800  F1=  0.929  F2=  1.306   null   null  d=  4.1
assi (( resid  68 and name HG2* 
      ))
     (( resid  78 and name HB* 
      ))
           4.09 2.10 2.10
! peak number c 2877  F1=  1.347  F2=  0.939   null   null  d=  3.2
assi (( resid  68 and name HG2* 
      ))
     (( resid  78 and name HB*) or ( resid 70 and name HG 
      ))
           3.2 1.28 1.28
! peak number c 284  F1=  0.412  F2=  5.009   null   null  d=  3.0
assi (( resid  69 and name HA 
      ))
     (( resid  69 and name HB* 
      ))
           3 1.12 1.12
! peak number n 61  F1=  5.009  F2=  8.755   null   null  d=  3.3
assi (( resid  69 and name HA 
      ))
     (( resid  69 and name HN 
      ))
           3.3 0.82 0.82
! peak number c 2902  F1=  4.990  F2=  1.451   null   null  d=  5.0
assi (( resid  69 and name HA 
      ))
     (( resid  70 and name HB1 
      ))
           5 3.12 3.12
! peak number c 2901  F1=  4.974  F2=  1.568   null   null  d=  4.2
assi (( resid  69 and name HA 
      ))
     (( resid  70 and name HB2 
      ))
           4.2 2.21 2.21
! peak number c 285  F1=  0.546  F2=  5.009   null   null  d=  4.6
assi (( resid  69 and name HA 
      ))
     (( resid  70 and name HD2*) or ( resid 70 and name HD1* 
      ))
           4.59 2.64 2.64
! peak number c 3804  F1=  5.019  F2=  1.363   null   null  d=  4.7
assi (( resid  69 and name HA 
      ))
     (( resid  70 and name HG 
      ))
           4.7 2.76 2.76
! peak number n 160  F1=  5.021  F2=  8.973   null   null  d=  2.7
assi (( resid  69 and name HA 
      ))
     (( resid  70 and name HN 
      ))
           2.7 0.68 0.68
! peak number c 3197  F1=  4.982  F2=  0.399   null   null  d=  3.9
assi (( resid  69 and name HA 
      ))
     (( resid  95 and name HD1* 
      ))
           3.9 1.90 1.90
! peak number c 3191  F1=  4.975  F2=  0.390   null   null  d=  3.8
assi (( resid  69 and name HA 
      ))
     (( resid  95 and name HG2* 
      ))
           3.8 1.80 1.80
! peak number c 2885  F1=  8.742  F2=  0.402   null   null  d=  3.0
assi (( resid  69 and name HB* 
      ))
     (( resid  69 and name HN 
      ))
           3 1.12 1.12
! peak number c 2886  F1=  8.951  F2=  0.400   null   null  d=  3.1
assi (( resid  69 and name HB* 
      ))
     (( resid  70 and name HN 
      ))
           3.1 1.20 1.20
! peak number c 2892  F1=  2.912  F2=  0.401   null   null  d=  3.8
assi (( resid  69 and name HB* 
      ))
     (( resid  76 and name HB* 
      ))
           3.8 1.80 1.80
! peak number c 3699  F1=  5.183  F2=  0.398   null   null  d=  4.6
assi (( resid  69 and name HB* 
      ))
     (( resid  78 and name HA 
      ))
           4.59 2.64 2.64
! peak number c 2894  F1=  1.349  F2=  0.399   null   null  d=  3.8
assi (( resid  69 and name HB* 
      ))
     (( resid  97 and name HG1 
      ))
           3.8 1.80 1.80
! peak number c 2144  F1=  0.402  F2=  1.489   null   null  d=  2.9
assi (( resid  69 and name HB* 
      ))
     (( resid  97 and name HG2 
      ))
           2.9 1.05 1.05
! peak number n 456  F1=  8.770  F2=  8.452   null   null  d=  3.8
assi (( resid  69 and name HN 
      ))
     (( resid  77 and name HN 
      ))
           3.8 0.95 0.95
! peak number n 62  F1=  5.192  F2=  8.763   null   null  d=  3.4
assi (( resid  69 and name HN 
      ))
     (( resid  78 and name HA 
      ))
           3.4 0.85 0.85
! peak number n 58  F1=  1.353  F2=  8.765   null   null  d=  3.6
assi (( resid  69 and name HN 
      ))
     (( resid  97 and name HG1) or ( resid 78 and name HB* 
      ))
           3.6 1.62 1.62
! peak number c 290  F1=  1.449  F2=  4.628   null   null  d=  4.8
assi (( resid  70 and name HA 
      ))
     (( resid  70 and name HB1 
      ))
           4.8 2.88 2.88
! peak number c 288  F1=  1.577  F2=  4.625   null   null  d=  4.4
assi (( resid  70 and name HA 
      ))
     (( resid  70 and name HB2 
      ))
           4.4 2.42 2.42
! peak number c 287  F1=  0.528  F2=  4.624   null   null  d=  3.2
assi (( resid  70 and name HA 
      ))
     (( resid  70 and name HD1* 
      ))
           3.2 1.32 1.32
! peak number c 292  F1=  0.565  F2=  4.628   null   null  d=  3.2
assi (( resid  70 and name HA 
      ))
     (( resid  70 and name HD2* 
      ))
           3.2 1.28 1.28
! peak number c 2913  F1=  4.615  F2=  1.364   null   null  d=  4.4
assi (( resid  70 and name HA 
      ))
     (( resid  70 and name HG 
      ))
           4.4 2.42 2.42
! peak number n 652  F1=  4.641  F2=  8.494   null   null  d=  2.4
assi (( resid  70 and name HA 
      ))
     (( resid  71 and name HN 
      ))
           2.4 0.60 0.60
! peak number c 308  F1=  4.634  F2=  4.080   null   null  d=  6.0 dist trop loin
! peak number c 2964  F1=  4.648  F2=  2.906   null   null  d=  3.4
assi (( resid  70 and name HA 
      ))
     (( resid  76 and name HB* 
      ))
           3.4 1.44 1.44
! peak number c 2903  F1=  4.612  F2=  1.453   null   null  d=  3.6
assi (( resid  70 and name HA) or ( resid 108 and name HA 
      ))
     (( resid  70 and name HB1 
      ))
           3.6 1.62 1.62
! peak number c 2900  F1=  4.606  F2=  1.569   null   null  d=  3.3
assi (( resid  70 and name HA) or ( resid 108 and name HA 
      ))
     (( resid  70 and name HB2 
      ))
           3.3 1.36 1.36
! peak number n 158  F1=  4.615  F2=  8.972   null   null  d=  3.0
assi (( resid  70 and name HA) or ( resid 108 and name HA 
      ))
     (( resid  70 and name HN 
      ))
           3 1.12 1.12
! peak number c 2899  F1=  1.574  F2=  1.460   null   null  d=  2.7
assi (( resid  70 and name HB1 
      ))
     (( resid  70 and name HB2 
      ))
           2.7 0.91 0.91
! peak number c 2897  F1=  0.549  F2=  1.456   null   null  d=  3.1
assi (( resid  70 and name HB1 
      ))
     (( resid  70 and name HD2*) or ( resid 70 and name HD1* 
      ))
           3.1 1.20 1.20
! peak number c 3821  F1=  1.347  F2=  1.443   null   null  d=  3.3
assi (( resid  70 and name HB1 
      ))
     (( resid  70 and name HG 
      ))
           3.3 1.36 1.36
! peak number c 2906  F1=  8.951  F2=  1.459   null   null  d=  3.7
assi (( resid  70 and name HB1 
      ))
     (( resid  70 and name HN 
      ))
           3.7 1.71 1.71
! peak number n 648  F1=  1.492  F2=  8.488   null   null  d=  3.7
assi (( resid  70 and name HB1 
      ))
     (( resid  71 and name HN 
      ))
           3.7 1.71 1.71
! peak number c 2905  F1=  8.477  F2=  1.467   null   null  d=  4.7
assi (( resid  70 and name HB1 
      ))
     (( resid  77 and name HN 
      ))
           4.7 2.76 2.76
! peak number c 2927  F1=  1.571  F2=  0.515   null   null  d=  2.8
assi (( resid  70 and name HB2 
      ))
     (( resid  70 and name HD1* 
      ))
           2.8 0.98 0.98
! peak number c 2933  F1=  1.555  F2=  0.565   null   null  d=  2.7
assi (( resid  70 and name HB2 
      ))
     (( resid  70 and name HD2* 
      ))
           2.7 0.91 0.91
! peak number c 2896  F1=  0.554  F2=  1.570   null   null  d=  3.0
assi (( resid  70 and name HB2 
      ))
     (( resid  70 and name HD2*) or ( resid 70 and name HD1* 
      ))
           3 1.12 1.12
! peak number c 2898  F1=  1.391  F2=  1.570   null   null  d=  2.9
assi (( resid  70 and name HB2 
      ))
     (( resid  70 and name HG 
      ))
           2.9 1.05 1.05
! peak number c 2907  F1=  8.950  F2=  1.568   null   null  d=  3.5
assi (( resid  70 and name HB2 
      ))
     (( resid  70 and name HN 
      ))
           3.5 1.53 1.53
! peak number c 2904  F1=  8.465  F2=  1.573   null   null  d=  3.9
assi (( resid  70 and name HB2 
      ))
     (( resid  71 and name HN 
      ))
           3.9 1.90 1.90
! peak number c 2926  F1=  1.385  F2=  0.523   null   null  d=  2.6
assi (( resid  70 and name HD1* 
      ))
     (( resid  70 and name HG 
      ))
           2.6 0.85 0.85
! peak number c 2919  F1=  8.959  F2=  0.519   null   null  d=  3.7
assi (( resid  70 and name HD1* 
      ))
     (( resid  70 and name HN 
      ))
           3.7 1.71 1.71
! peak number c 3702  F1=  4.831  F2=  0.517   null   null  d=  4.2
assi (( resid  70 and name HD1* 
      ))
     (( resid  71 and name HA 
      ))
           4.2 2.21 2.21
! peak number c 2918  F1=  8.468  F2=  0.520   null   null  d=  3.7
assi (( resid  70 and name HD1* 
      ))
     (( resid  71 and name HN 
      ))
           3.7 1.71 1.71
! peak number c 2922  F1=  4.052  F2=  0.527   null   null  d=  4.0
assi (( resid  70 and name HD1* 
      ))
     (( resid  76 and name HA 
      ))
           4 2.00 2.00
! peak number c 2923  F1=  2.919  F2=  0.519   null   null  d=  4.0
assi (( resid  70 and name HD1* 
      ))
     (( resid  76 and name HB* 
      ))
           4 2.00 2.00
! peak number c 1228  F1=  0.558  F2=  6.962   null   null  d=  4.4
assi (( resid  70 and name HD1* 
      ))
     (( resid  76 and name HD* 
      ))
           4.4 2.42 2.42
! peak number c 1225  F1=  0.560  F2=  7.078   null   null  d=  4.0
assi (( resid  70 and name HD1* 
      ))
     (( resid  76 and name HE* 
      ))
           4 2.00 2.00
! peak number c 1241  F1=  0.542  F2=  7.154   null   null  d=  6.2 dist trop loin
! peak number c 301  F1=  0.528  F2=  4.671   null   null  d=  3.8
assi (( resid  70 and name HD1* 
      ))
     (( resid  77 and name HA) or ( resid 73 and name HA 
      ))
           3.8 1.80 1.80
! peak number c 2932  F1=  1.377  F2=  0.567   null   null  d=  2.8
assi (( resid  70 and name HD2* 
      ))
     (( resid  70 and name HG 
      ))
           2.8 0.98 0.98
! peak number c 2939  F1=  8.951  F2=  0.559   null   null  d=  3.7
assi (( resid  70 and name HD2* 
      ))
     (( resid  70 and name HN 
      ))
           3.7 1.67 1.67
! peak number c 2936  F1=  4.813  F2=  0.561   null   null  d=  3.3
assi (( resid  70 and name HD2* 
      ))
     (( resid  71 and name HA 
      ))
           3.3 1.36 1.36
! peak number n 646  F1=  0.580  F2=  8.491   null   null  d=  2.8
assi (( resid  70 and name HD2* 
      ))
     (( resid  71 and name HN 
      ))
           2.8 0.98 0.98
! peak number c 3710  F1=  4.047  F2=  0.568   null   null  d=  4.6
assi (( resid  70 and name HD2* 
      ))
     (( resid  76 and name HA 
      ))
           4.59 2.64 2.64
! peak number c 2937  F1=  7.071  F2=  0.572   null   null  d=  3.2
assi (( resid  70 and name HD2* 
      ))
     (( resid  76 and name HE* 
      ))
           3.2 1.28 1.28
! peak number c 2914  F1=  0.558  F2=  1.364   null   null  d=  2.7
assi (( resid  70 and name HD2*) or ( resid 70 and name HD1* 
      ))
     (( resid  70 and name HG 
      ))
           2.7 0.91 0.91
! peak number c 2938  F1=  8.468  F2=  0.559   null   null  d=  3.7
assi (( resid  70 and name HD2*) or ( resid 70 and name HD1* 
      ))
     (( resid  71 and name HN 
      ))
           3.7 1.71 1.71
! peak number c 2924  F1=  2.124  F2=  0.530   null   null  d=  3.6
assi (( resid  70 and name HD2*) or ( resid 70 and name HD1* 
      ))
     (( resid  72 and name HG* 
      ))
           3.6 1.62 1.62
! peak number c 1217  F1=  0.534  F2=  7.048   null   null  d=  5.7 dist trop loin
! peak number c 2934  F1=  2.915  F2=  0.559   null   null  d=  3.4
assi (( resid  70 and name HD2*) or ( resid 70 and name HD1* 
      ))
     (( resid  76 and name HB* 
      ))
           3.4 1.44 1.44
! peak number c 2910  F1=  8.950  F2=  1.370   null   null  d=  3.5
assi (( resid  70 and name HG 
      ))
     (( resid  70 and name HN 
      ))
           3.5 1.53 1.53
! peak number n 647  F1=  1.393  F2=  8.490   null   null  d=  3.3
assi (( resid  70 and name HG 
      ))
     (( resid  71 and name HN 
      ))
           3.3 1.36 1.36
! peak number c 2911  F1=  8.450  F2=  1.373   null   null  d=  4.4
assi (( resid  70 and name HG 
      ))
     (( resid  77 and name HN) or ( resid 71 and name HN 
      ))
           4.4 2.42 2.42
! peak number c 486  F1=  1.372  F2=  4.085   null   null  d=  3.1
assi (( resid  70 and name HG) or ( resid 122 and name HB1 
      ))
     (( resid  76 and name HA) or ( resid 122 and name HA 
      ))
           3.1 1.20 1.20
! peak number c 158  F1=  4.006  F2=  4.799   null   null  d=  3.0
assi (( resid  71 and name HA 
      ))
     (( resid  71 and name HB1 
      ))
           3 1.12 1.12
! peak number c 159  F1=  4.151  F2=  4.799   null   null  d=  3.0
assi (( resid  71 and name HA 
      ))
     (( resid  71 and name HB2 
      ))
           3 1.12 1.12
! peak number n 653  F1=  4.824  F2=  8.494   null   null  d=  3.0
assi (( resid  71 and name HA 
      ))
     (( resid  71 and name HN 
      ))
           3 0.75 0.75
! peak number c 1232  F1=  4.816  F2=  6.965   null   null  d=  4.5
assi (( resid  71 and name HA 
      ))
     (( resid  76 and name HD* 
      ))
           4.5 2.53 2.53
! peak number c 1233  F1=  4.810  F2=  7.080   null   null  d=  5.0
assi (( resid  71 and name HA 
      ))
     (( resid  76 and name HE* 
      ))
           5 3.12 3.12
! peak number c 2963  F1=  4.813  F2=  2.907   null   null  d=  3.1
assi (( resid  71 and name HA) or ( resid 42 and name HA 
      ))
     (( resid  76 and name HB*) or ( resid 43 and name HB2 
      ))
           3.1 1.20 1.20
! peak number n 651  F1=  4.190  F2=  8.486   null   null  d=  3.7
assi (( resid  71 and name HB2 
      ))
     (( resid  71 and name HN 
      ))
           3.7 1.71 1.71
! peak number n 650  F1=  4.052  F2=  8.491   null   null  d=  3.2
assi (( resid  71 and name HN 
      ))
     (( resid  76 and name HA) or ( resid 71 and name HB1 
      ))
           3.2 1.28 1.28
! peak number c 295  F1=  2.073  F2=  4.048   null   null  d=  2.9
assi (( resid  72 and name HA 
      ))
     (( resid  72 and name HB* 
      ))
           2.9 1.05 1.05
! peak number c 296  F1=  2.141  F2=  4.046   null   null  d=  3.5
assi (( resid  72 and name HA 
      ))
     (( resid  72 and name HG* 
      ))
           3.5 1.53 1.53
! peak number n 813  F1=  4.077  F2=  7.905   null   null  d=  3.1
assi (( resid  72 and name HA 
      ))
     (( resid  73 and name HN 
      ))
           3.1 0.78 0.78
! peak number c 1222  F1=  4.078  F2=  6.780   null   null  d=  5.2
assi (( resid  72 and name HA 
      ))
     (( resid  75 and name HE* 
      ))
           5.2 3.38 3.38
! peak number c 1216  F1=  2.059  F2=  7.047   null   null  d=  5.9 dist trop loin
! peak number n 487  F1=  2.049  F2=  7.946   null   null  d=  2.8
assi (( resid  72 and name HB* 
      ))
     (( resid  76 and name HN 
      ))
           2.8 0.98 0.98
! peak number c 2940  F1=  8.464  F2=  2.043   null   null  d=  4.4
assi (( resid  72 and name HB* 
      ))
     (( resid  77 and name HN) or ( resid 71 and name HN 
      ))
           4.4 2.42 2.42
! peak number n 816  F1=  2.108  F2=  7.908   null   null  d=  3.3
assi (( resid  72 and name HG1 
      ))
     (( resid  73 and name HN 
      ))
           3.3 1.36 1.36
! peak number n 524  F1=  2.133  F2=  8.296   null   null  d=  3.0
assi (( resid  72 and name HG2 
      ))
     (( resid  75 and name HN 
      ))
           3 1.12 1.12
! peak number n 488  F1=  2.149  F2=  7.943   null   null  d=  2.8
assi (( resid  72 and name HG2 
      ))
     (( resid  76 and name HN 
      ))
           2.8 0.98 0.98
! peak number c 2943  F1=  7.904  F2=  2.131   null   null  d=  3.2
assi (( resid  72 and name HG* 
      ))
     (( resid  73 and name HN 
      ))
           3.2 1.28 1.28
! peak number c 2947  F1=  2.701  F2=  2.135   null   null  d=  3.3
assi (( resid  72 and name HG* 
      ))
     (( resid  75 and name HB* 
      ))
           3.3 1.36 1.36
! peak number c 2945  F1=  4.059  F2=  2.125   null   null  d=  2.7
assi (( resid  72 and name HG* 
      ))
     (( resid  76 and name HA) or ( resid 72 and name HA 
      ))
           2.7 0.91 0.91
! peak number c 2514  F1=  4.679  F2=  2.931   null   null  d=  2.8
assi (( resid  73 and name HA 
      ))
     (( resid  73 and name HB* 
      ))
           2.8 0.95 0.95
! peak number n 814  F1=  4.668  F2=  7.911   null   null  d=  3.5
assi (( resid  73 and name HA 
      ))
     (( resid  73 and name HN 
      ))
           3.5 0.88 0.88
! peak number c 1213  F1=  4.679  F2=  7.051   null   null  d=  3.5
assi (( resid  73 and name HA 
      ))
     (( resid  75 and name HD* 
      ))
           3.5 1.53 1.53
! peak number c 1231  F1=  4.687  F2=  6.962   null   null  d=  4.2
assi (( resid  73 and name HA 
      ))
     (( resid  76 and name HD* 
      ))
           4.2 2.21 2.21
! peak number c 1230  F1=  4.670  F2=  7.080   null   null  d=  5.2
assi (( resid  73 and name HA 
      ))
     (( resid  76 and name HE* 
      ))
           5.2 3.38 3.38
! peak number n 812  F1=  2.965  F2=  7.906   null   null  d=  2.9
assi (( resid  73 and name HB1 
      ))
     (( resid  73 and name HN 
      ))
           2.9 1.05 1.05
! peak number c 2953  F1=  7.883  F2=  2.922   null   null  d=  3.0
assi (( resid  73 and name HB* 
      ))
     (( resid  73 and name HN 
      ))
           3 1.12 1.12
! peak number c 1212  F1=  2.935  F2=  7.051   null   null  d=  3.0
assi (( resid  73 and name HB* 
      ))
     (( resid  75 and name HD* 
      ))
           3 1.16 1.16
! peak number c 2948  F1=  6.765  F2=  2.924   null   null  d=  4.7
assi (( resid  73 and name HB* 
      ))
     (( resid  75 and name HE* 
      ))
           4.7 2.76 2.76
! peak number c 2951  F1=  8.271  F2=  2.932   null   null  d=  3.4
assi (( resid  73 and name HB* 
      ))
     (( resid  75 and name HN 
      ))
           3.4 1.44 1.44
! peak number c 1223  F1=  7.900  F2=  6.784   null   null  d=  4.6
assi (( resid  73 and name HN 
      ))
     (( resid  75 and name HE* 
      ))
           4.59 2.64 2.64
! peak number c 302  F1=  2.105  F2=  4.150   null   null  d=  2.7
assi (( resid  74 and name HA 
      ))
     (( resid  74 and name HB* 
      ))
           2.7 0.91 0.91
! peak number c 2839  F1=  4.162  F2=  2.359   null   null  d=  2.9
assi (( resid  74 and name HA 
      ))
     (( resid  74 and name HG* 
      ))
           2.9 1.05 1.05
! peak number c 307  F1=  4.169  F2=  4.557   null   null  d=  3.7
assi (( resid  74 and name HA 
      ))
     (( resid  75 and name HA 
      ))
           3.7 0.93 0.93
! peak number c 2959  F1=  4.147  F2=  2.738   null   null  d=  3.8
assi (( resid  74 and name HA 
      ))
     (( resid  75 and name HB* 
      ))
           3.8 1.80 1.80
! peak number n 521  F1=  4.183  F2=  8.299   null   null  d=  3.1
assi (( resid  74 and name HA 
      ))
     (( resid  75 and name HN 
      ))
           3.1 0.78 0.78
! peak number c 2844  F1=  2.127  F2=  2.359   null   null  d=  2.2
assi (( resid  74 and name HB2 
      ))
     (( resid  74 and name HG* 
      ))
           2.2 0.61 0.61
! peak number c 2954  F1=  2.742  F2=  2.357   null   null  d=  3.6
assi (( resid  74 and name HG* 
      ))
     (( resid  75 and name HB* 
      ))
           3.6 1.62 1.62
! peak number c 2842  F1=  8.292  F2=  2.357   null   null  d=  3.8
assi (( resid  74 and name HG* 
      ))
     (( resid  75 and name HN 
      ))
           3.8 1.80 1.80
! peak number c 2958  F1=  4.566  F2=  2.726   null   null  d=  2.4
assi (( resid  75 and name HA 
      ))
     (( resid  75 and name HB* 
      ))
           2.4 0.72 0.72
! peak number n 520  F1=  4.579  F2=  8.297   null   null  d=  2.9
assi (( resid  75 and name HA 
      ))
     (( resid  75 and name HN 
      ))
           2.9 0.72 0.72
! peak number n 485  F1=  4.575  F2=  7.944   null   null  d=  3.0
assi (( resid  75 and name HA 
      ))
     (( resid  76 and name HN 
      ))
           3 0.75 0.75
! peak number c 1042  F1=  2.744  F2=  7.049   null   null  d=  4.6
assi (( resid  75 and name HB* 
      ))
     (( resid  75 and name HD* 
      ))
           4.59 2.64 2.64
! peak number c 1221  F1=  2.729  F2=  6.782   null   null  d=  5.0
assi (( resid  75 and name HB* 
      ))
     (( resid  75 and name HE* 
      ))
           5 3.12 3.12
! peak number c 2956  F1=  8.268  F2=  2.726   null   null  d=  3.2
assi (( resid  75 and name HB* 
      ))
     (( resid  75 and name HN 
      ))
           3.2 1.28 1.28
! peak number c 2957  F1=  7.915  F2=  2.727   null   null  d=  3.4
assi (( resid  75 and name HB* 
      ))
     (( resid  76 and name HN 
      ))
           3.4 1.44 1.44
! peak number c 1214  F1=  6.773  F2=  7.051   null   null  d=  2.5
assi (( resid  75 and name HD* 
      ))
     (( resid  75 and name HE* 
      ))
           2.5 0.80 0.80
! peak number c 1043  F1=  8.278  F2=  7.051   null   null  d=  4.3
assi (( resid  75 and name HD* 
      ))
     (( resid  75 and name HN 
      ))
           4.3 2.31 2.31
! peak number c 1215  F1=  7.902  F2=  7.055   null   null  d=  4.0
assi (( resid  75 and name HD* 
      ))
     (( resid  76 and name HN) or ( resid 73 and name HN 
      ))
           4 2.00 2.00
! peak number c 2961  F1=  8.281  F2=  2.911   null   null  d=  3.3
assi (( resid  75 and name HN 
      ))
     (( resid  76 and name HB* 
      ))
           3.3 1.36 1.36
! peak number c 1235  F1=  8.269  F2=  6.962   null   null  d=  5.1
assi (( resid  75 and name HN 
      ))
     (( resid  76 and name HD* 
      ))
           5.09 3.25 3.25
! peak number c 1234  F1=  8.291  F2=  7.080   null   null  d=  5.6 dist trop loin
! peak number n 491  F1=  8.294  F2=  7.944   null   null  d=  3.1
assi (( resid  75 and name HN 
      ))
     (( resid  76 and name HN 
      ))
           3.1 0.78 0.78
! peak number n 525  F1=  7.931  F2=  8.301   null   null  d=  3.3
assi (( resid  75 and name HN 
      ))
     (( resid  76 and name HN) or ( resid 73 and name HN 
      ))
           3.3 1.36 1.36
! peak number n 482  F1=  4.068  F2=  7.943   null   null  d=  2.6
assi (( resid  76 and name HA 
      ))
     (( resid  76 and name HN 
      ))
           2.6 0.65 0.65
! peak number c 490  F1=  3.846  F2=  4.086   null   null  d=  4.5
assi (( resid  76 and name HA) or ( resid 122 and name HA 
      ))
     (( resid  77 and name HB*) or ( resid 121 and name HA 
      ))
           4.5 2.53 2.53
! peak number c 1041  F1=  2.908  F2=  6.961   null   null  d=  3.3
assi (( resid  76 and name HB* 
      ))
     (( resid  76 and name HD* 
      ))
           3.3 1.36 1.36
! peak number c 1040  F1=  2.904  F2=  7.076   null   null  d=  3.8
assi (( resid  76 and name HB* 
      ))
     (( resid  76 and name HE* 
      ))
           3.8 1.80 1.80
! peak number c 2499  F1=  8.432  F2=  2.919   null   null  d=  3.7
assi (( resid  76 and name HB* 
      ))
     (( resid  77 and name HN 
      ))
           3.7 1.71 1.71
! peak number c 1237  F1=  7.892  F2=  6.961   null   null  d=  6.1 dist trop loin
! peak number c 1239  F1=  8.460  F2=  6.961   null   null  d=  5.6 dist trop loin
! peak number c 1236  F1=  7.909  F2=  7.079   null   null  d=  6.4 dist trop loin
! peak number c 1238  F1=  8.448  F2=  7.075   null   null  d=  5.9 dist trop loin
! peak number c 309  F1=  3.840  F2=  4.695   null   null  d=  2.6
assi (( resid  77 and name HA 
      ))
     (( resid  77 and name HB* 
      ))
           2.6 0.85 0.85
! peak number n 458  F1=  4.661  F2=  8.452   null   null  d=  4.1
assi (( resid  77 and name HA 
      ))
     (( resid  77 and name HN 
      ))
           4.09 1.02 1.02
! peak number c 2971  F1=  5.179  F2=  1.318   null   null  d=  3.2
assi (( resid  78 and name HA 
      ))
     (( resid  78 and name HB* 
      ))
           3.2 1.28 1.28
! peak number n 282  F1=  5.193  F2=  8.374   null   null  d=  3.1
assi (( resid  78 and name HA 
      ))
     (( resid  79 and name HN 
      ))
           3.1 0.78 0.78
! peak number c 2974  F1=  8.530  F2=  1.316   null   null  d=  3.2
assi (( resid  78 and name HB* 
      ))
     (( resid  78 and name HN 
      ))
           3.2 1.28 1.28
! peak number n 284  F1=  1.353  F2=  8.374   null   null  d=  3.3
assi (( resid  78 and name HB* 
      ))
     (( resid  79 and name HN 
      ))
           3.3 1.36 1.36
! peak number c 2968  F1=  0.383  F2=  1.316   null   null  d=  3.3
assi (( resid  78 and name HB* 
      ))
     (( resid  95 and name HG2*) or ( resid 69 and name HB* 
      ))
           3.3 1.36 1.36
! peak number n 280  F1=  4.433  F2=  8.380   null   null  d=  4.1
assi (( resid  79 and name HA1 
      ))
     (( resid  79 and name HN 
      ))
           4.09 1.02 1.02
! peak number c 2987  F1=  4.416  F2=  0.849   null   null  d=  2.9
assi (( resid  79 and name HA1 
      ))
     (( resid  80 and name HG2* 
      ))
           2.9 1.05 1.05
! peak number n 597  F1=  4.431  F2=  8.260   null   null  d=  2.8
assi (( resid  79 and name HA1 
      ))
     (( resid  80 and name HN 
      ))
           2.8 0.70 0.70
! peak number c 3184  F1=  4.407  F2=  0.384   null   null  d=  3.3
assi (( resid  79 and name HA1 
      ))
     (( resid  95 and name HG2* 
      ))
           3.3 1.36 1.36
! peak number c 35  F1=  0.396  F2=  4.404   null   null  d=  3.7
assi (( resid  79 and name HA1 
      ))
     (( resid  95 and name HG2*) or ( resid 69 and name HB* 
      ))
           3.7 1.71 1.71
! peak number c 41  F1=  3.610  F2=  4.401   null   null  d=  2.6
assi (( resid  79 and name HA1) or ( resid 11 and name HA2 
      ))
     (( resid  79 and name HA2) or ( resid 11 and name HA1 
      ))
           2.6 0.85 0.85
! peak number c 187  F1=  4.389  F2=  3.622   null   null  d=  3.0
assi (( resid  79 and name HA1) or ( resid 45 and name HA2 
      ))
     (( resid  79 and name HA2) or ( resid 45 and name HA1 
      ))
           3 1.12 1.12
! peak number c 2509  F1=  8.416  F2=  4.396   null   null  d=  2.8
assi (( resid  79 and name HA1) or ( resid 45 and name HA2 
      ))
     (( resid  79 and name HN) or ( resid 45 and name HN 
      ))
           2.8 0.98 0.98
! peak number c 186  F1=  3.607  F2=  4.398   null   null  d=  2.6
assi (( resid  79 and name HA1) or ( resid 45 and name HA2) or ( resid 11 and name HA2 
      ))
     (( resid  79 and name HA2) or ( resid 45 and name HA1) or ( resid 11 and name HA1 
      ))
           2.6 0.85 0.85
! peak number c 2985  F1=  3.611  F2=  0.856   null   null  d=  3.5
assi (( resid  79 and name HA2 
      ))
     (( resid  80 and name HG2* 
      ))
           3.5 1.53 1.53
! peak number n 598  F1=  3.599  F2=  8.264   null   null  d=  3.1
assi (( resid  79 and name HA2 
      ))
     (( resid  80 and name HN 
      ))
           3.1 0.78 0.78
! peak number c 3183  F1=  3.582  F2=  0.385   null   null  d=  3.5
assi (( resid  79 and name HA2 
      ))
     (( resid  95 and name HG2* 
      ))
           3.5 1.53 1.53
! peak number c 36  F1=  0.409  F2=  3.599   null   null  d=  4.5
assi (( resid  79 and name HA2 
      ))
     (( resid  95 and name HG2*) or ( resid 69 and name HB* 
      ))
           4.5 2.53 2.53
! peak number c 2977  F1=  4.620  F2=  3.603   null   null  d=  3.5
assi (( resid  79 and name HA2 
      ))
     (( resid  97 and name HA 
      ))
           3.5 0.88 0.88
! peak number c 3227  F1=  3.592  F2=  1.861   null   null  d=  4.8
assi (( resid  79 and name HA2 
      ))
     (( resid  97 and name HB* 
      ))
           4.8 2.88 2.88
! peak number c 2508  F1=  8.419  F2=  3.611   null   null  d=  3.2
assi (( resid  79 and name HA2) or ( resid 45 and name HA1 
      ))
     (( resid  79 and name HN) or ( resid 45 and name HN 
      ))
           3.2 1.28 1.28
! peak number n 285  F1=  0.438  F2=  8.375   null   null  d=  3.7
assi (( resid  79 and name HN 
      ))
     (( resid  95 and name HG2*) or ( resid 69 and name HB* 
      ))
           3.7 1.71 1.71
! peak number c 16  F1=  2.671  F2=  4.653   null   null  d=  2.7
assi (( resid  7 and name HA 
      ))
     (( resid  7 and name HB* 
      ))
           2.7 0.88 0.88
! peak number c 18  F1=  4.369  F2=  4.658   null   null  d=  4.1
assi (( resid  7 and name HA 
      ))
     (( resid  8 and name HA 
      ))
           4.09 1.02 1.02
! peak number c 2011  F1=  6.912  F2=  2.666   null   null  d=  4.2
assi (( resid  7 and name HB* 
      ))
     (( resid  7 and name HD21 
      ))
           4.2 2.15 2.15
! peak number c 2009  F1=  7.547  F2=  2.674   null   null  d=  3.3
assi (( resid  7 and name HB* 
      ))
     (( resid  7 and name HD22 
      ))
           3.3 1.36 1.36
! peak number c 2015  F1=  4.375  F2=  2.667   null   null  d=  4.0
assi (( resid  7 and name HB* 
      ))
     (( resid  8 and name HA 
      ))
           4 2.00 2.00
! peak number n 1262  F1=  6.917  F2=  7.554   null   null  d=  2.2
assi (( resid  7 and name HD21 
      ))
     (( resid  7 and name HD22 
      ))
           2.2 0.63 0.63
! peak number n 1245  F1=  7.588  F2=  6.895   null   null  d=  2.0
assi (( resid  7 and name HD21) or ( resid 100 and name HE22 
      ))
     (( resid  7 and name HD22) or ( resid 100 and name HE21 
      ))
           2 0.50 0.50
! peak number c 2981  F1=  4.936  F2=  1.745   null   null  d=  4.2
assi (( resid  80 and name HA 
      ))
     (( resid  80 and name HB 
      ))
           4.2 2.26 2.26
! peak number c 318  F1=  0.767  F2=  4.933   null   null  d=  3.4
assi (( resid  80 and name HA 
      ))
     (( resid  80 and name HG1* 
      ))
           3.4 1.44 1.44
! peak number c 319  F1=  0.887  F2=  4.933   null   null  d=  3.4
assi (( resid  80 and name HA 
      ))
     (( resid  80 and name HG2* 
      ))
           3.4 1.44 1.44
! peak number n 599  F1=  4.945  F2=  8.262   null   null  d=  3.3
assi (( resid  80 and name HA 
      ))
     (( resid  80 and name HN 
      ))
           3.3 0.82 0.82
! peak number c 315  F1=  2.218  F2=  4.942   null   null  d=  5.4 dist trop loin
! peak number c 3005  F1=  4.945  F2=  0.768   null   null  d=  3.7
assi (( resid  80 and name HA 
      ))
     (( resid  81 and name HG1* 
      ))
           3.7 1.71 1.71
! peak number n 117  F1=  4.947  F2=  8.409   null   null  d=  2.6
assi (( resid  80 and name HA 
      ))
     (( resid  81 and name HN 
      ))
           2.6 0.65 0.65
! peak number c 2980  F1=  0.827  F2=  1.746   null   null  d=  2.5
assi (( resid  80 and name HB 
      ))
     (( resid  80 and name HG2*) or ( resid 80 and name HG1* 
      ))
           2.5 0.78 0.78
! peak number c 2982  F1=  8.271  F2=  1.748   null   null  d=  3.2
assi (( resid  80 and name HB 
      ))
     (( resid  80 and name HN 
      ))
           3.2 1.24 1.24
! peak number c 2983  F1=  9.373  F2=  1.746   null   null  d=  3.9
assi (( resid  80 and name HB 
      ))
     (( resid  96 and name HN 
      ))
           3.9 1.90 1.90
! peak number c 381  F1=  1.750  F2=  4.597   null   null  d=  3.6
assi (( resid  80 and name HB 
      ))
     (( resid  97 and name HA 
      ))
           3.6 1.62 1.62
! peak number n 594  F1=  0.805  F2=  8.268   null   null  d=  3.3
assi (( resid  80 and name HG1* 
      ))
     (( resid  80 and name HN 
      ))
           3.3 1.36 1.36
! peak number n 112  F1=  0.803  F2=  8.409   null   null  d=  2.5
assi (( resid  80 and name HG1* 
      ))
     (( resid  81 and name HN 
      ))
           2.5 0.78 0.78
! peak number c 3756  F1=  2.610  F2=  0.851   null   null  d=  4.2
assi (( resid  80 and name HG1* 
      ))
     (( resid  82 and name HE2 
      ))
           4.2 2.21 2.21
! peak number n 83  F1=  0.803  F2=  9.476   null   null  d=  3.9
assi (( resid  80 and name HG1* 
      ))
     (( resid  82 and name HN 
      ))
           3.9 1.90 1.90
! peak number c 2765  F1=  0.824  F2=  1.890   null   null  d=  3.3
assi (( resid  80 and name HG1* 
      ))
     (( resid  96 and name HB2 
      ))
           3.3 1.36 1.36
! peak number n 595  F1=  0.921  F2=  8.264   null   null  d=  2.8
assi (( resid  80 and name HG2* 
      ))
     (( resid  80 and name HN 
      ))
           2.8 0.98 0.98
! peak number n 602  F1=  8.387  F2=  8.265   null   null  d=  3.5
assi (( resid  80 and name HN 
      ))
     (( resid  81 and name HN) or ( resid 79 and name HN 
      ))
           3.5 1.53 1.53
! peak number n 600  F1=  4.662  F2=  8.265   null   null  d=  3.5
assi (( resid  80 and name HN 
      ))
     (( resid  95 and name HA 
      ))
           3.5 0.88 0.88
! peak number c 3188  F1=  8.276  F2=  0.384   null   null  d=  3.0
assi (( resid  80 and name HN 
      ))
     (( resid  95 and name HG2* 
      ))
           3 1.12 1.12
! peak number n 18  F1=  8.265  F2=  9.387   null   null  d=  3.4
assi (( resid  80 and name HN 
      ))
     (( resid  96 and name HN 
      ))
           3.4 0.85 0.85
! peak number c 3007  F1=  3.983  F2=  0.768   null   null  d=  3.5
assi (( resid  81 and name HA 
      ))
     (( resid  81 and name HG1* 
      ))
           3.5 1.49 1.49
! peak number c 3028  F1=  3.988  F2=  1.014   null   null  d=  3.6
assi (( resid  81 and name HA 
      ))
     (( resid  81 and name HG2* 
      ))
           3.6 1.67 1.67
! peak number n 120  F1=  4.003  F2=  8.410   null   null  d=  4.0
assi (( resid  81 and name HA 
      ))
     (( resid  81 and name HN 
      ))
           4 1.00 1.00
! peak number n 86  F1=  4.003  F2=  9.480   null   null  d=  2.9
assi (( resid  81 and name HA 
      ))
     (( resid  82 and name HN 
      ))
           2.9 0.72 0.72
! peak number c 310  F1=  3.994  F2=  4.685   null   null  d=  3.7
assi (( resid  81 and name HA 
      ))
     (( resid  95 and name HA 
      ))
           3.7 0.93 0.93
! peak number c 3199  F1=  3.996  F2=  0.399   null   null  d=  3.3
assi (( resid  81 and name HA 
      ))
     (( resid  95 and name HD1* 
      ))
           3.3 1.36 1.36
! peak number c 322  F1=  0.407  F2=  3.983   null   null  d=  3.5
assi (( resid  81 and name HA 
      ))
     (( resid  95 and name HG2* 
      ))
           3.5 1.53 1.53
! peak number n 15  F1=  4.022  F2=  9.400   null   null  d=  4.0
assi (( resid  81 and name HA 
      ))
     (( resid  96 and name HN 
      ))
           4 1.00 1.00
! peak number c 2991  F1=  0.765  F2=  2.188   null   null  d=  3.0
assi (( resid  81 and name HB 
      ))
     (( resid  81 and name HG1* 
      ))
           3 1.12 1.12
! peak number c 2992  F1=  1.015  F2=  2.187   null   null  d=  3.2
assi (( resid  81 and name HB 
      ))
     (( resid  81 and name HG2* 
      ))
           3.2 1.28 1.28
! peak number c 2995  F1=  8.397  F2=  2.187   null   null  d=  3.4
assi (( resid  81 and name HB 
      ))
     (( resid  81 and name HN 
      ))
           3.4 1.40 1.40
! peak number c 3021  F1=  1.017  F2=  0.766   null   null  d=  2.4
assi (( resid  81 and name HG1* 
      ))
     (( resid  81 and name HG2* 
      ))
           2.4 0.72 0.72
! peak number c 3001  F1=  8.383  F2=  0.768   null   null  d=  3.1
assi (( resid  81 and name HG1* 
      ))
     (( resid  81 and name HN 
      ))
           3.1 1.20 1.20
! peak number c 2997  F1=  9.415  F2=  0.769   null   null  d=  3.7
assi (( resid  81 and name HG1* 
      ))
     (( resid  82 and name HN 
      ))
           3.7 1.71 1.71
! peak number c 3734  F1=  7.470  F2=  0.770   null   null  d=  4.4
assi (( resid  81 and name HG1* 
      ))
     (( resid  83 and name HN 
      ))
           4.4 2.42 2.42
! peak number c 3733  F1=  8.578  F2=  0.770   null   null  d=  4.9
assi (( resid  81 and name HG1* 
      ))
     (( resid  84 and name HN 
      ))
           4.9 3.00 3.00
! peak number c 3737  F1=  2.854  F2=  0.764   null   null  d=  3.6
assi (( resid  81 and name HG1* 
      ))
     (( resid  93 and name HB1 
      ))
           3.6 1.62 1.62
! peak number c 3736  F1=  4.178  F2=  0.768   null   null  d=  4.5
assi (( resid  81 and name HG1* 
      ))
     (( resid  94 and name HA) or ( resid 65 and name HA 
      ))
           4.5 2.53 2.53
! peak number c 3006  F1=  4.717  F2=  0.767   null   null  d=  3.4
assi (( resid  81 and name HG1* 
      ))
     (( resid  95 and name HA) or ( resid 82 and name HA 
      ))
           3.4 1.44 1.44
! peak number c 3179  F1=  0.773  F2=  0.396   null   null  d=  3.6
assi (( resid  81 and name HG1* 
      ))
     (( resid  95 and name HG2* 
      ))
           3.6 1.62 1.62
! peak number c 374  F1=  0.769  F2=  4.659   null   null  d=  5.5 dist trop loin
! peak number c 3772  F1=  8.378  F2=  1.014   null   null  d=  3.8
assi (( resid  81 and name HG2* 
      ))
     (( resid  81 and name HN 
      ))
           3.8 1.80 1.80
! peak number c 3030  F1=  4.703  F2=  1.009   null   null  d=  2.8
assi (( resid  81 and name HG2* 
      ))
     (( resid  82 and name HA 
      ))
           2.8 0.98 0.98
! peak number c 3035  F1=  9.422  F2=  1.010   null   null  d=  3.2
assi (( resid  81 and name HG2* 
      ))
     (( resid  82 and name HN 
      ))
           3.2 1.28 1.28
! peak number c 3032  F1=  7.444  F2=  1.012   null   null  d=  3.7
assi (( resid  81 and name HG2* 
      ))
     (( resid  83 and name HN 
      ))
           3.7 1.71 1.71
! peak number c 1316  F1=  1.036  F2=  7.094   null   null  d=  5.2
assi (( resid  81 and name HG2* 
      ))
     (( resid  84 and name HD2 
      ))
           5.2 3.38 3.38
! peak number c 1322  F1=  1.035  F2=  7.604   null   null  d=  4.6
assi (( resid  81 and name HG2* 
      ))
     (( resid  84 and name HE1 
      ))
           4.59 2.64 2.64
! peak number c 3031  F1=  7.126  F2=  1.014   null   null  d=  3.5
assi (( resid  81 and name HG2* 
      ))
     (( resid  93 and name HD* 
      ))
           3.5 1.53 1.53
! peak number c 228  F1=  1.865  F2=  4.747   null   null  d=  3.5
assi (( resid  82 and name HA 
      ))
     (( resid  82 and name HB1 
      ))
           3.5 1.58 1.58
! peak number c 230  F1=  1.202  F2=  4.751   null   null  d=  4.2
assi (( resid  82 and name HA 
      ))
     (( resid  82 and name HB2 
      ))
           4.2 2.21 2.21
! peak number n 87  F1=  4.761  F2=  9.478   null   null  d=  3.2
assi (( resid  82 and name HA 
      ))
     (( resid  82 and name HN 
      ))
           3.2 0.80 0.80
! peak number n 295  F1=  4.756  F2=  7.463   null   null  d=  3.2
assi (( resid  82 and name HA 
      ))
     (( resid  83 and name HN 
      ))
           3.2 0.80 0.80
! peak number c 3037  F1=  1.887  F2=  1.165   null   null  d=  3.2
assi (( resid  82 and name HB1 
      ))
     (( resid  82 and name HB2 
      ))
           3.2 1.28 1.28
! peak number c 3040  F1=  9.452  F2=  1.897   null   null  d=  4.0
assi (( resid  82 and name HB1 
      ))
     (( resid  82 and name HN 
      ))
           4 2.00 2.00
! peak number c 3042  F1=  2.790  F2=  1.161   null   null  d=  4.5
assi (( resid  82 and name HB2 
      ))
     (( resid  82 and name HE1 
      ))
           4.5 2.53 2.53
! peak number c 3041  F1=  9.468  F2=  1.173   null   null  d=  4.0
assi (( resid  82 and name HB2 
      ))
     (( resid  82 and name HN 
      ))
           4 2.00 2.00
! peak number c 3043  F1=  1.500  F2=  1.166   null   null  d=  4.4
assi (( resid  82 and name HB2 
      ))
     (( resid  94 and name HB1) or ( resid 101 and name HG2 
      ))
           4.4 2.42 2.42
! peak number n 299  F1=  9.479  F2=  7.463   null   null  d=  3.2
assi (( resid  82 and name HN 
      ))
     (( resid  83 and name HN 
      ))
           3.2 0.80 0.80
! peak number c 3192  F1=  9.425  F2=  0.401   null   null  d=  3.6
assi (( resid  82 and name HN 
      ))
     (( resid  95 and name HD1* 
      ))
           3.6 1.62 1.62
! peak number n 82  F1=  0.432  F2=  9.480   null   null  d=  3.6
assi (( resid  82 and name HN 
      ))
     (( resid  95 and name HG2*) or ( resid 95 and name HD1* 
      ))
           3.6 1.62 1.62
! peak number n 293  F1=  4.006  F2=  7.464   null   null  d=  3.0
assi (( resid  83 and name HA1 
      ))
     (( resid  83 and name HN 
      ))
           3 0.75 0.75
! peak number n 294  F1=  4.101  F2=  7.464   null   null  d=  2.8
assi (( resid  83 and name HA2 
      ))
     (( resid  83 and name HN 
      ))
           2.8 0.70 0.70
! peak number n 588  F1=  4.085  F2=  8.620   null   null  d=  2.4
assi (( resid  83 and name HA2 
      ))
     (( resid  84 and name HN 
      ))
           2.4 0.60 0.60
! peak number c 1317  F1=  4.041  F2=  7.098   null   null  d=  4.1
assi (( resid  83 and name HA* 
      ))
     (( resid  84 and name HD2 
      ))
           4.09 2.10 2.10
! peak number c 3154  F1=  4.058  F2=  1.483   null   null  d=  5.0
assi (( resid  83 and name HA* 
      ))
     (( resid  94 and name HB1 
      ))
           5 3.12 3.12
! peak number n 833  F1=  7.470  F2=  8.328   null   null  d=  3.5
assi (( resid  83 and name HN) or ( resid 103 and name HH2 
      ))
     (( resid  94 and name HN 
      ))
           3.5 1.53 1.53
! peak number c 1294  F1=  7.444  F2=  7.128   null   null  d=  3.8
assi (( resid  83 and name HN) or ( resid 109 and name HN 
      ))
     (( resid  93 and name HD* 
      ))
           3.8 1.80 1.80
! peak number c 3052  F1=  5.780  F2=  2.886   null   null  d=  3.8
assi (( resid  84 and name HA 
      ))
     (( resid  84 and name HB1 
      ))
           3.8 1.80 1.80
! peak number c 3045  F1=  3.025  F2=  5.777   null   null  d=  3.8
assi (( resid  84 and name HA 
      ))
     (( resid  84 and name HB2 
      ))
           3.8 1.81 1.81
! peak number n 587  F1=  5.805  F2=  8.623   null   null  d=  3.4
assi (( resid  84 and name HA 
      ))
     (( resid  84 and name HN 
      ))
           3.4 0.85 0.85
! peak number c 3046  F1=  9.158  F2=  5.774   null   null  d=  3.1
assi (( resid  84 and name HA 
      ))
     (( resid  85 and name HN 
      ))
           3.1 0.78 0.78
! peak number c 328  F1=  0.498  F2=  5.793   null   null  d=  5.1
assi (( resid  84 and name HA 
      ))
     (( resid  91 and name HD1* 
      ))
           5.09 3.25 3.25
! peak number c 325  F1=  5.227  F2=  5.793   null   null  d=  4.2
assi (( resid  84 and name HA 
      ))
     (( resid  93 and name HA 
      ))
           4.2 1.06 1.06
! peak number c 3044  F1=  2.891  F2=  5.777   null   null  d=  3.9
assi (( resid  84 and name HA 
      ))
     (( resid  93 and name HB2) or ( resid 84 and name HB1 
      ))
           3.9 1.90 1.90
! peak number c 327  F1=  2.886  F2=  5.795   null   null  d=  3.3
assi (( resid  84 and name HA 
      ))
     (( resid  93 and name HB*) or ( resid 84 and name HB1 
      ))
           3.3 1.36 1.36
! peak number c 3050  F1=  3.015  F2=  2.886   null   null  d=  2.9
assi (( resid  84 and name HB1 
      ))
     (( resid  84 and name HB2 
      ))
           2.9 1.05 1.05
! peak number c 3056  F1=  8.600  F2=  2.875   null   null  d=  3.8
assi (( resid  84 and name HB1 
      ))
     (( resid  84 and name HN 
      ))
           3.8 1.80 1.80
! peak number c 3054  F1=  9.173  F2=  2.885   null   null  d=  3.7
assi (( resid  84 and name HB1 
      ))
     (( resid  85 and name HN 
      ))
           3.7 1.71 1.71
! peak number c 3048  F1=  0.647  F2=  2.888   null   null  d=  4.1
assi (( resid  84 and name HB1 
      ))
     (( resid  91 and name HD2*) or ( resid 63 and name HD1* 
      ))
           4.09 2.10 2.10
! peak number c 365  F1=  2.861  F2=  5.229   null   null  d=  3.4
assi (( resid  84 and name HB1 
      ))
     (( resid  93 and name HA 
      ))
           3.4 1.44 1.44
! peak number n 830  F1=  2.921  F2=  8.334   null   null  d=  3.6
assi (( resid  84 and name HB1 
      ))
     (( resid  94 and name HN 
      ))
           3.6 1.62 1.62
! peak number c 3055  F1=  8.605  F2=  3.014   null   null  d=  4.4
assi (( resid  84 and name HB2 
      ))
     (( resid  84 and name HN 
      ))
           4.4 2.42 2.42
! peak number c 3053  F1=  9.172  F2=  3.015   null   null  d=  3.9
assi (( resid  84 and name HB2 
      ))
     (( resid  85 and name HN 
      ))
           3.9 1.85 1.85
! peak number c 3047  F1=  0.654  F2=  3.017   null   null  d=  4.1
assi (( resid  84 and name HB2 
      ))
     (( resid  91 and name HD2* 
      ))
           4.09 2.10 2.10
! peak number c 364  F1=  3.054  F2=  5.230   null   null  d=  4.4
assi (( resid  84 and name HB2 
      ))
     (( resid  93 and name HA 
      ))
           4.4 2.42 2.42
! peak number c 3049  F1=  2.851  F2=  3.004   null   null  d=  3.2
assi (( resid  84 and name HB2 
      ))
     (( resid  93 and name HB1 
      ))
           3.2 1.28 1.28
! peak number c 1047  F1=  3.029  F2=  7.127   null   null  d=  3.0
assi (( resid  84 and name HB2) or ( resid 128 and name HB* 
      ))
     (( resid  93 and name HD*) or ( resid 128 and name HD* 
      ))
           3 1.12 1.12
! peak number c 3195  F1=  7.172  F2=  0.403   null   null  d=  3.1
assi (( resid  84 and name HD2) or ( resid 104 and name HD* 
      ))
     (( resid  95 and name HD1* 
      ))
           3.1 1.20 1.20
! peak number c 3187  F1=  7.175  F2=  0.385   null   null  d=  3.8
assi (( resid  84 and name HD2) or ( resid 104 and name HD* 
      ))
     (( resid  95 and name HG2* 
      ))
           3.8 1.80 1.80
! peak number c 3066  F1=  4.679  F2=  1.396   null   null  d=  3.5
assi (( resid  85 and name HA 
      ))
     (( resid  85 and name HB1 
      ))
           3.5 1.53 1.53
! peak number c 3065  F1=  4.680  F2=  1.584   null   null  d=  3.1
assi (( resid  85 and name HA 
      ))
     (( resid  85 and name HB2 
      ))
           3.1 1.20 1.20
! peak number c 3088  F1=  4.728  F2=  2.339   null   null  d=  4.5
assi (( resid  85 and name HA 
      ))
     (( resid  85 and name HD1 
      ))
           4.5 2.53 2.53
! peak number c 3089  F1=  4.727  F2=  1.928   null   null  d=  4.6
assi (( resid  85 and name HA 
      ))
     (( resid  85 and name HD2 
      ))
           4.59 2.64 2.64
! peak number c 331  F1=  1.093  F2=  4.666   null   null  d=  4.4
assi (( resid  85 and name HA 
      ))
     (( resid  85 and name HG1 
      ))
           4.4 2.42 2.42
! peak number c 330  F1=  0.979  F2=  4.667   null   null  d=  4.4
assi (( resid  85 and name HA 
      ))
     (( resid  85 and name HG2 
      ))
           4.4 2.42 2.42
! peak number n 976  F1=  4.694  F2=  9.176   null   null  d=  3.2
assi (( resid  85 and name HA 
      ))
     (( resid  85 and name HN 
      ))
           3.2 0.80 0.80
! peak number n 178  F1=  4.670  F2=  8.740   null   null  d=  2.6
assi (( resid  85 and name HA 
      ))
     (( resid  86 and name HN 
      ))
           2.6 0.65 0.65
! peak number c 2279  F1=  4.696  F2=  1.625   null   null  d=  3.6
assi (( resid  85 and name HA) or ( resid 32 and name HA 
      ))
     (( resid  86 and name HB*) or ( resid 31 and name HB1 
      ))
           3.6 1.62 1.62
! peak number c 3062  F1=  1.606  F2=  1.392   null   null  d=  2.8
assi (( resid  85 and name HB1 
      ))
     (( resid  85 and name HB2 
      ))
           2.8 0.98 0.98
! peak number c 3060  F1=  2.354  F2=  1.397   null   null  d=  3.8
assi (( resid  85 and name HB1 
      ))
     (( resid  85 and name HD1 
      ))
           3.8 1.85 1.85
! peak number c 3061  F1=  1.938  F2=  1.382   null   null  d=  3.6
assi (( resid  85 and name HB1 
      ))
     (( resid  85 and name HD2 
      ))
           3.6 1.62 1.62
! peak number c 3064  F1=  1.115  F2=  1.388   null   null  d=  3.7
assi (( resid  85 and name HB1 
      ))
     (( resid  85 and name HG1 
      ))
           3.7 1.71 1.71
! peak number c 3068  F1=  9.160  F2=  1.380   null   null  d=  3.8
assi (( resid  85 and name HB1 
      ))
     (( resid  85 and name HN 
      ))
           3.8 1.80 1.80
! peak number n 176  F1=  1.420  F2=  8.743   null   null  d=  4.0
assi (( resid  85 and name HB1 
      ))
     (( resid  86 and name HN 
      ))
           4 2.00 2.00
! peak number c 3808  F1=  2.965  F2=  1.393   null   null  d=  4.7
assi (( resid  85 and name HB1 
      ))
     (( resid  92 and name HB2 
      ))
           4.7 2.76 2.76
! peak number c 1299  F1=  1.382  F2=  6.750   null   null  d=  4.0
assi (( resid  85 and name HB1 
      ))
     (( resid  92 and name HE* 
      ))
           4 2.00 2.00
! peak number c 3059  F1=  2.357  F2=  1.583   null   null  d=  3.5
assi (( resid  85 and name HB2 
      ))
     (( resid  85 and name HD1 
      ))
           3.5 1.53 1.53
! peak number c 3085  F1=  1.595  F2=  1.929   null   null  d=  3.2
assi (( resid  85 and name HB2 
      ))
     (( resid  85 and name HD2 
      ))
           3.2 1.28 1.28
! peak number c 3058  F1=  1.135  F2=  1.583   null   null  d=  3.3
assi (( resid  85 and name HB2 
      ))
     (( resid  85 and name HG1 
      ))
           3.3 1.36 1.36
! peak number c 3057  F1=  1.012  F2=  1.584   null   null  d=  3.3
assi (( resid  85 and name HB2 
      ))
     (( resid  85 and name HG2 
      ))
           3.3 1.36 1.36
! peak number c 3067  F1=  9.163  F2=  1.572   null   null  d=  4.1
assi (( resid  85 and name HB2 
      ))
     (( resid  85 and name HN 
      ))
           4.09 2.10 2.10
! peak number c 3224  F1=  8.742  F2=  1.584   null   null  d=  3.5
assi (( resid  85 and name HB2 
      ))
     (( resid  86 and name HN 
      ))
           3.5 1.58 1.58
! peak number c 3086  F1=  2.343  F2=  1.927   null   null  d=  2.5
assi (( resid  85 and name HD1 
      ))
     (( resid  85 and name HD2 
      ))
           2.5 0.78 0.78
! peak number c 3079  F1=  1.120  F2=  2.337   null   null  d=  3.5
assi (( resid  85 and name HD1 
      ))
     (( resid  85 and name HG1 
      ))
           3.5 1.53 1.53
! peak number c 3078  F1=  1.015  F2=  2.337   null   null  d=  3.2
assi (( resid  85 and name HD1 
      ))
     (( resid  85 and name HG2 
      ))
           3.2 1.28 1.28
! peak number c 3081  F1=  1.125  F2=  1.928   null   null  d=  3.5
assi (( resid  85 and name HD2 
      ))
     (( resid  85 and name HG1 
      ))
           3.5 1.53 1.53
! peak number c 3080  F1=  1.009  F2=  1.928   null   null  d=  3.3
assi (( resid  85 and name HD2 
      ))
     (( resid  85 and name HG2 
      ))
           3.3 1.36 1.36
! peak number n 1190  F1=  1.901  F2=  8.412   null   null  d=  3.7
assi (( resid  85 and name HD2 
      ))
     (( resid  91 and name HN 
      ))
           3.7 1.71 1.71
! peak number n 970  F1=  1.129  F2=  9.175   null   null  d=  3.8
assi (( resid  85 and name HG1 
      ))
     (( resid  85 and name HN 
      ))
           3.8 1.80 1.80
! peak number n 969  F1=  1.003  F2=  9.174   null   null  d=  4.1
assi (( resid  85 and name HG2 
      ))
     (( resid  85 and name HN 
      ))
           4.09 2.10 2.10
! peak number c 3074  F1=  1.660  F2=  1.006   null   null  d=  3.2
assi (( resid  85 and name HG2 
      ))
     (( resid  86 and name HB* 
      ))
           3.2 1.28 1.28
! peak number c 1144  F1=  0.957  F2=  6.874   null   null  d=  3.5
assi (( resid  85 and name HG2 
      ))
     (( resid  92 and name HD* 
      ))
           3.5 1.53 1.53
! peak number c 3072  F1=  7.150  F2=  1.011   null   null  d=  3.6
assi (( resid  85 and name HG2 
      ))
     (( resid  93 and name HD* 
      ))
           3.6 1.62 1.62
! peak number c 3070  F1=  8.272  F2=  1.012   null   null  d=  4.5
assi (( resid  85 and name HG2 
      ))
     (( resid  94 and name HN 
      ))
           4.5 2.53 2.53
! peak number n 968  F1=  0.678  F2=  9.178   null   null  d=  3.3
assi (( resid  85 and name HN 
      ))
     (( resid  91 and name HD2* 
      ))
           3.3 1.36 1.36
! peak number n 1281  F1=  5.236  F2=  9.174   null   null  d=  4.0
assi (( resid  85 and name HN 
      ))
     (( resid  93 and name HA 
      ))
           4 1.00 1.00
! peak number c 3092  F1=  1.658  F2=  5.301   null   null  d=  3.2
assi (( resid  86 and name HA 
      ))
     (( resid  86 and name HB* 
      ))
           3.2 1.31 1.31
! peak number c 340  F1=  1.579  F2=  5.326   null   null  d=  3.4
assi (( resid  86 and name HA 
      ))
     (( resid  86 and name HD*) or ( resid 85 and name HB2 
      ))
           3.4 1.44 1.44
! peak number c 3112  F1=  5.302  F2=  2.824   null   null  d=  5.2
assi (( resid  86 and name HA 
      ))
     (( resid  86 and name HE* 
      ))
           5.2 3.38 3.38
! peak number c 3100  F1=  5.300  F2=  1.189   null   null  d=  3.9
assi (( resid  86 and name HA 
      ))
     (( resid  86 and name HG1 
      ))
           3.9 1.90 1.90
! peak number c 3099  F1=  5.307  F2=  1.304   null   null  d=  4.0
assi (( resid  86 and name HA 
      ))
     (( resid  86 and name HG2 
      ))
           4 1.95 1.95
! peak number n 180  F1=  5.327  F2=  8.743   null   null  d=  3.9
assi (( resid  86 and name HA 
      ))
     (( resid  86 and name HN 
      ))
           3.9 0.97 0.97
! peak number c 3093  F1=  8.767  F2=  5.302   null   null  d=  3.0
assi (( resid  86 and name HA 
      ))
     (( resid  87 and name HN 
      ))
           3 0.75 0.75
! peak number n 1085  F1=  5.337  F2=  7.957   null   null  d=  3.9
assi (( resid  86 and name HA 
      ))
     (( resid  90 and name HN 
      ))
           3.9 0.97 0.97
! peak number c 341  F1=  4.856  F2=  5.325   null   null  d=  3.7
assi (( resid  86 and name HA 
      ))
     (( resid  91 and name HA 
      ))
           3.7 0.93 0.93
! peak number c 336  F1=  0.656  F2=  5.325   null   null  d=  4.3
assi (( resid  86 and name HA 
      ))
     (( resid  91 and name HD2* 
      ))
           4.3 2.31 2.31
! peak number c 3136  F1=  5.309  F2=  1.124   null   null  d=  4.2
assi (( resid  86 and name HA 
      ))
     (( resid  91 and name HG 
      ))
           4.2 2.21 2.21
! peak number c 337  F1=  1.178  F2=  5.324   null   null  d=  4.4
assi (( resid  86 and name HA 
      ))
     (( resid  91 and name HG) or ( resid 86 and name HG1 
      ))
           4.4 2.42 2.42
! peak number c 2248  F1=  5.307  F2=  1.564   null   null  d=  3.6
assi (( resid  86 and name HA) or ( resid 28 and name HA 
      ))
     (( resid  86 and name HD*) or ( resid 28 and name HD* 
      ))
           3.6 1.62 1.62
! peak number n 179  F1=  1.696  F2=  8.744   null   null  d=  3.2
assi (( resid  86 and name HB1 
      ))
     (( resid  86 and name HN 
      ))
           3.2 1.28 1.28
! peak number n 193  F1=  1.705  F2=  8.782   null   null  d=  3.2
assi (( resid  86 and name HB1 
      ))
     (( resid  87 and name HN 
      ))
           3.2 1.28 1.28
! peak number n 183  F1=  1.633  F2=  8.783   null   null  d=  3.1
assi (( resid  86 and name HB2 
      ))
     (( resid  87 and name HN 
      ))
           3.1 1.20 1.20
! peak number c 3098  F1=  1.174  F2=  1.623   null   null  d=  3.1
assi (( resid  86 and name HB* 
      ))
     (( resid  86 and name HG1 
      ))
           3.1 1.20 1.20
! peak number c 3097  F1=  1.311  F2=  1.624   null   null  d=  2.9
assi (( resid  86 and name HB* 
      ))
     (( resid  86 and name HG2 
      ))
           2.9 1.05 1.05
! peak number c 3094  F1=  8.755  F2=  1.635   null   null  d=  3.3
assi (( resid  86 and name HB* 
      ))
     (( resid  86 and name HN 
      ))
           3.3 1.36 1.36
! peak number c 2281  F1=  4.845  F2=  1.616   null   null  d=  3.9
assi (( resid  86 and name HB*) or ( resid 31 and name HB1 
      ))
     (( resid  91 and name HA) or ( resid 39 and name HA 
      ))
           3.9 1.90 1.90
! peak number c 3108  F1=  1.563  F2=  2.826   null   null  d=  2.2
assi (( resid  86 and name HD* 
      ))
     (( resid  86 and name HE* 
      ))
           2.2 0.61 0.61
! peak number c 2246  F1=  8.790  F2=  1.566   null   null  d=  3.7
assi (( resid  86 and name HD* 
      ))
     (( resid  86 and name HN 
      ))
           3.7 1.71 1.71
! peak number c 2254  F1=  1.217  F2=  1.568   null   null  d=  2.1
assi (( resid  86 and name HD*) or ( resid 37 and name HD*) or ( resid 28 and name HD*) or ( resid 102 and name HD* 
      ))
     (( resid  86 and name HG1) or ( resid 37 and name HG2) or ( resid 28 and name HG*) or ( resid 102 and name HG1 
      ))
           2.1 0.55 0.55
! peak number c 3107  F1=  1.211  F2=  2.824   null   null  d=  2.4
assi (( resid  86 and name HE* 
      ))
     (( resid  86 and name HG1 
      ))
           2.4 0.72 0.72
! peak number c 3105  F1=  0.650  F2=  2.824   null   null  d=  3.2
assi (( resid  86 and name HE*) or ( resid 59 and name HB2 
      ))
     (( resid  91 and name HD2*) or ( resid 61 and name HD1* 
      ))
           3.2 1.28 1.28
! peak number c 3102  F1=  8.759  F2=  1.186   null   null  d=  4.1
assi (( resid  86 and name HG1 
      ))
     (( resid  86 and name HN 
      ))
           4.09 2.10 2.10
! peak number c 3101  F1=  8.764  F2=  1.308   null   null  d=  3.5
assi (( resid  86 and name HG2 
      ))
     (( resid  86 and name HN 
      ))
           3.5 1.58 1.58
! peak number c 3118  F1=  4.527  F2=  1.922   null   null  d=  3.3
assi (( resid  87 and name HA 
      ))
     (( resid  87 and name HB1 
      ))
           3.3 1.36 1.36
! peak number c 3117  F1=  4.543  F2=  1.745   null   null  d=  3.2
assi (( resid  87 and name HA 
      ))
     (( resid  87 and name HB2 
      ))
           3.2 1.28 1.28
! peak number c 345  F1=  2.043  F2=  4.539   null   null  d=  2.8
assi (( resid  87 and name HA 
      ))
     (( resid  87 and name HG* 
      ))
           2.8 0.98 0.98
! peak number n 187  F1=  4.562  F2=  8.780   null   null  d=  3.4
assi (( resid  87 and name HA 
      ))
     (( resid  87 and name HN 
      ))
           3.4 0.85 0.85
! peak number c 3126  F1=  4.570  F2=  2.044   null   null  d=  2.8
assi (( resid  87 and name HA) or ( resid 50 and name HA 
      ))
     (( resid  87 and name HG*) or ( resid 50 and name HB 
      ))
           2.8 0.98 0.98
! peak number c 3119  F1=  1.731  F2=  1.931   null   null  d=  2.4
assi (( resid  87 and name HB1 
      ))
     (( resid  87 and name HB2 
      ))
           2.4 0.72 0.72
! peak number c 3113  F1=  8.755  F2=  1.927   null   null  d=  3.5
assi (( resid  87 and name HB1 
      ))
     (( resid  87 and name HN 
      ))
           3.5 1.58 1.58
! peak number c 3116  F1=  6.758  F2=  1.946   null   null  d=  3.1
assi (( resid  87 and name HB1 
      ))
     (( resid  92 and name HE* 
      ))
           3.1 1.20 1.20
! peak number c 2565  F1=  1.763  F2=  2.047   null   null  d=  2.6
assi (( resid  87 and name HB2 
      ))
     (( resid  87 and name HG* 
      ))
           2.6 0.85 0.85
! peak number c 3114  F1=  8.784  F2=  1.752   null   null  d=  3.9
assi (( resid  87 and name HB2 
      ))
     (( resid  87 and name HN 
      ))
           3.9 1.85 1.85
! peak number c 3120  F1=  1.966  F2=  1.759   null   null  d=  2.4
assi (( resid  87 and name HB2 
      ))
     (( resid  90 and name HB* 
      ))
           2.4 0.72 0.72
! peak number c 1297  F1=  1.761  F2=  6.750   null   null  d=  3.5
assi (( resid  87 and name HB2 
      ))
     (( resid  92 and name HE* 
      ))
           3.5 1.53 1.53
! peak number n 186  F1=  2.071  F2=  8.782   null   null  d=  3.1
assi (( resid  87 and name HN 
      ))
     (( resid  90 and name HG* 
      ))
           3.1 1.20 1.20
! peak number c 3121  F1=  8.770  F2=  2.043   null   null  d=  3.9
assi (( resid  87 and name HN 
      ))
     (( resid  90 and name HG*) or ( resid 87 and name HG* 
      ))
           3.9 1.90 1.90
! peak number n 1093  F1=  8.776  F2=  7.952   null   null  d=  3.5
assi (( resid  87 and name HN 
      ))
     (( resid  90 and name HN 
      ))
           3.5 0.86 0.86
! peak number n 189  F1=  4.883  F2=  8.786   null   null  d=  3.6
assi (( resid  87 and name HN 
      ))
     (( resid  91 and name HA 
      ))
           3.6 0.90 0.90
! peak number c 1072  F1=  8.771  F2=  6.747   null   null  d=  5.0
assi (( resid  87 and name HN 
      ))
     (( resid  92 and name HE* 
      ))
           5 3.12 3.12
! peak number c 3130  F1=  4.185  F2=  3.658   null   null  d=  2.6
assi (( resid  89 and name HA1 
      ))
     (( resid  89 and name HA2 
      ))
           2.6 0.66 0.66
! peak number n 1086  F1=  3.687  F2=  7.954   null   null  d=  4.2
assi (( resid  89 and name HA1 
      ))
     (( resid  90 and name HN 
      ))
           4.2 1.05 1.05
! peak number c 349  F1=  4.615  F2=  3.655   null   null  d=  4.8
assi (( resid  89 and name HA1) or ( resid 22 and name HA1 
      ))
     (( resid  90 and name HA) or ( resid 23 and name HA 
      ))
           4.8 2.88 2.88
! peak number c 348  F1=  4.589  F2=  4.178   null   null  d=  4.5
assi (( resid  89 and name HA2 
      ))
     (( resid  90 and name HA 
      ))
           4.5 1.12 1.12
! peak number n 1082  F1=  4.188  F2=  7.954   null   null  d=  3.3
assi (( resid  89 and name HA2 
      ))
     (( resid  90 and name HN 
      ))
           3.3 0.82 0.82
! peak number c 23  F1=  3.662  F2=  4.388   null   null  d=  2.8
assi (( resid  8 and name HA 
      ))
     (( resid  8 and name HB1 
      ))
           2.8 0.98 0.98
! peak number c 24  F1=  3.764  F2=  4.387   null   null  d=  2.7
assi (( resid  8 and name HA 
      ))
     (( resid  8 and name HB2 
      ))
           2.7 0.91 0.91
! peak number n 1028  F1=  4.413  F2=  8.758   null   null  d=  2.9
assi (( resid  8 and name HA 
      ))
     (( resid  9 and name HN 
      ))
           2.9 0.72 0.72
! peak number n 1027  F1=  3.798  F2=  8.756   null   null  d=  3.7
assi (( resid  8 and name HB2 
      ))
     (( resid  9 and name HN 
      ))
           3.7 1.71 1.71
! peak number c 3132  F1=  4.590  F2=  2.009   null   null  d=  3.2
assi (( resid  90 and name HA 
      ))
     (( resid  90 and name HB* 
      ))
           3.2 1.28 1.28
! peak number c 350  F1=  2.059  F2=  4.605   null   null  d=  2.8
assi (( resid  90 and name HA 
      ))
     (( resid  90 and name HG* 
      ))
           2.8 0.98 0.98
! peak number n 1083  F1=  4.619  F2=  7.953   null   null  d=  2.9
assi (( resid  90 and name HA 
      ))
     (( resid  90 and name HN 
      ))
           2.9 0.72 0.72
! peak number c 352  F1=  4.841  F2=  4.601   null   null  d=  3.9
assi (( resid  90 and name HA 
      ))
     (( resid  91 and name HA 
      ))
           3.9 0.97 0.97
! peak number n 115  F1=  4.616  F2=  8.407   null   null  d=  2.6
assi (( resid  90 and name HA 
      ))
     (( resid  91 and name HN 
      ))
           2.6 0.65 0.65
! peak number c 1220  F1=  4.571  F2=  6.778   null   null  d=  5.0
assi (( resid  90 and name HA) or ( resid 75 and name HA 
      ))
     (( resid  92 and name HE*) or ( resid 75 and name HE* 
      ))
           5 3.06 3.06
! peak number n 1087  F1=  2.030  F2=  7.953   null   null  d=  2.7
assi (( resid  90 and name HB1 
      ))
     (( resid  90 and name HN 
      ))
           2.7 0.91 0.91
! peak number n 113  F1=  2.020  F2=  8.404   null   null  d=  3.1
assi (( resid  90 and name HB1 
      ))
     (( resid  91 and name HN 
      ))
           3.1 1.20 1.20
! peak number n 1094  F1=  1.965  F2=  7.953   null   null  d=  3.4
assi (( resid  90 and name HB2) or ( resid 87 and name HB1 
      ))
     (( resid  90 and name HN 
      ))
           3.4 1.44 1.44
! peak number c 3134  F1=  8.384  F2=  1.988   null   null  d=  3.7
assi (( resid  90 and name HB* 
      ))
     (( resid  91 and name HN 
      ))
           3.7 1.71 1.71
! peak number c 1298  F1=  1.981  F2=  6.749   null   null  d=  2.8
assi (( resid  90 and name HB* 
      ))
     (( resid  92 and name HE* 
      ))
           2.8 0.98 0.98
! peak number c 3124  F1=  7.948  F2=  2.044   null   null  d=  2.9
assi (( resid  90 and name HG* 
      ))
     (( resid  90 and name HN 
      ))
           2.9 1.02 1.02
! peak number c 3122  F1=  8.382  F2=  2.039   null   null  d=  3.7
assi (( resid  90 and name HG* 
      ))
     (( resid  91 and name HN 
      ))
           3.7 1.71 1.71
! peak number c 3125  F1=  6.894  F2=  2.043   null   null  d=  3.9
assi (( resid  90 and name HG* 
      ))
     (( resid  92 and name HD* 
      ))
           3.9 1.90 1.90
! peak number n 1092  F1=  8.398  F2=  7.953   null   null  d=  4.0
assi (( resid  90 and name HN 
      ))
     (( resid  91 and name HN 
      ))
           4 1.00 1.00
! peak number n 1089  F1=  6.736  F2=  7.945   null   null  d=  4.2
assi (( resid  90 and name HN 
      ))
     (( resid  92 and name HE* 
      ))
           4.2 2.21 2.21
! peak number c 358  F1=  1.560  F2=  4.863   null   null  d=  4.7
assi (( resid  91 and name HA 
      ))
     (( resid  91 and name HB1 
      ))
           4.7 2.76 2.76
! peak number c 357  F1=  1.314  F2=  4.880   null   null  d=  5.1
assi (( resid  91 and name HA 
      ))
     (( resid  91 and name HB2 
      ))
           5.09 3.25 3.25
! peak number c 354  F1=  0.492  F2=  4.870   null   null  d=  5.2
assi (( resid  91 and name HA 
      ))
     (( resid  91 and name HD1* 
      ))
           5.2 3.38 3.38
! peak number c 355  F1=  0.655  F2=  4.871   null   null  d=  3.6
assi (( resid  91 and name HA 
      ))
     (( resid  91 and name HD2* 
      ))
           3.6 1.62 1.62
! peak number c 3137  F1=  4.847  F2=  1.140   null   null  d=  4.0
assi (( resid  91 and name HA 
      ))
     (( resid  91 and name HG 
      ))
           4 1.95 1.95
! peak number c 1151  F1=  4.865  F2=  6.879   null   null  d=  4.5
assi (( resid  91 and name HA 
      ))
     (( resid  92 and name HD* 
      ))
           4.5 2.48 2.48
! peak number n 236  F1=  4.891  F2=  9.304   null   null  d=  2.9
assi (( resid  91 and name HA 
      ))
     (( resid  92 and name HN 
      ))
           2.9 0.72 0.72
! peak number n 234  F1=  1.537  F2=  9.309   null   null  d=  4.1
assi (( resid  91 and name HB1 
      ))
     (( resid  92 and name HN 
      ))
           4.09 2.10 2.10
! peak number c 3402  F1=  0.515  F2=  1.544   null   null  d=  3.4
assi (( resid  91 and name HB1) or ( resid 111 and name HB2 
      ))
     (( resid  91 and name HD1*) or ( resid 61 and name HG1* 
      ))
           3.4 1.44 1.44
! peak number n 1192  F1=  1.340  F2=  8.412   null   null  d=  3.2
assi (( resid  91 and name HB2 
      ))
     (( resid  91 and name HN 
      ))
           3.2 1.28 1.28
! peak number n 233  F1=  1.353  F2=  9.304   null   null  d=  4.4
assi (( resid  91 and name HB2 
      ))
     (( resid  92 and name HN 
      ))
           4.4 2.42 2.42
! peak number c 3403  F1=  0.508  F2=  1.470   null   null  d=  3.3
assi (( resid  91 and name HB2) or ( resid 111 and name HB1 
      ))
     (( resid  91 and name HD1*) or ( resid 61 and name HG1* 
      ))
           3.3 1.36 1.36
! peak number c 3076  F1=  0.472  F2=  1.131   null   null  d=  2.9
assi (( resid  91 and name HD1* 
      ))
     (( resid  91 and name HG 
      ))
           2.9 1.05 1.05
! peak number c 3138  F1=  0.665  F2=  1.136   null   null  d=  3.3
assi (( resid  91 and name HD2* 
      ))
     (( resid  91 and name HG 
      ))
           3.3 1.36 1.36
! peak number n 231  F1=  0.682  F2=  9.305   null   null  d=  3.0
assi (( resid  91 and name HD2* 
      ))
     (( resid  92 and name HN 
      ))
           3 1.12 1.12
! peak number c 3135  F1=  9.289  F2=  1.128   null   null  d=  4.0
assi (( resid  91 and name HG 
      ))
     (( resid  92 and name HN 
      ))
           4 2.00 2.00
! peak number n 232  F1=  1.158  F2=  9.302   null   null  d=  3.8
assi (( resid  91 and name HG) or ( resid 85 and name HG1 
      ))
     (( resid  92 and name HN 
      ))
           3.8 1.80 1.80
! peak number c 3148  F1=  5.283  F2=  2.683   null   null  d=  4.2
assi (( resid  92 and name HA 
      ))
     (( resid  92 and name HB1 
      ))
           4.2 2.20 2.20
! peak number c 360  F1=  2.970  F2=  5.298   null   null  d=  4.0
assi (( resid  92 and name HA 
      ))
     (( resid  92 and name HB2 
      ))
           4 2.00 2.00
! peak number c 1308  F1=  5.289  F2=  6.894   null   null  d=  3.9
assi (( resid  92 and name HA 
      ))
     (( resid  92 and name HD* 
      ))
           3.9 1.90 1.90
! peak number c 1071  F1=  5.298  F2=  6.750   null   null  d=  5.5 dist trop loin
! peak number n 237  F1=  5.327  F2=  9.302   null   null  d=  3.4
assi (( resid  92 and name HA) or ( resid 86 and name HA 
      ))
     (( resid  92 and name HN 
      ))
           3.4 1.44 1.44
! peak number c 1067  F1=  2.698  F2=  6.894   null   null  d=  3.9
assi (( resid  92 and name HB1 
      ))
     (( resid  92 and name HD* 
      ))
           3.9 1.95 1.95
! peak number c 3141  F1=  9.269  F2=  2.691   null   null  d=  3.8
assi (( resid  92 and name HB1 
      ))
     (( resid  92 and name HN 
      ))
           3.8 1.85 1.85
! peak number c 3144  F1=  9.946  F2=  2.705   null   null  d=  3.8
assi (( resid  92 and name HB1 
      ))
     (( resid  93 and name HN 
      ))
           3.8 1.76 1.76
! peak number c 3859  F1=  6.861  F2=  2.987   null   null  d=  4.4
assi (( resid  92 and name HB2 
      ))
     (( resid  92 and name HD* 
      ))
           4.4 2.42 2.42
! peak number c 3147  F1=  5.254  F2=  2.971   null   null  d=  3.9
assi (( resid  92 and name HB2 
      ))
     (( resid  93 and name HA 
      ))
           3.9 1.90 1.90
! peak number c 3145  F1=  9.932  F2=  2.967   null   null  d=  3.9
assi (( resid  92 and name HB2 
      ))
     (( resid  93 and name HN 
      ))
           3.9 1.90 1.90
! peak number c 1066  F1=  2.949  F2=  6.888   null   null  d=  3.3
assi (( resid  92 and name HB2) or ( resid 38 and name HB2 
      ))
     (( resid  92 and name HD*) or ( resid 38 and name HD* 
      ))
           3.3 1.36 1.36
! peak number c 1070  F1=  2.965  F2=  6.746   null   null  d=  4.5
assi (( resid  92 and name HB2) or ( resid 73 and name HB* 
      ))
     (( resid  92 and name HE*) or ( resid 75 and name HE* 
      ))
           4.5 2.53 2.53
! peak number c 1218  F1=  2.923  F2=  6.780   null   null  d=  3.6
assi (( resid  92 and name HB2) or ( resid 73 and name HB*) or ( resid 103 and name HB1 
      ))
     (( resid  92 and name HE*) or ( resid 75 and name HE* 
      ))
           3.6 1.62 1.62
! peak number c 1068  F1=  6.742  F2=  6.895   null   null  d=  2.7
assi (( resid  92 and name HD* 
      ))
     (( resid  92 and name HE* 
      ))
           2.7 0.91 0.91
! peak number c 1064  F1=  9.298  F2=  6.899   null   null  d=  3.5
assi (( resid  92 and name HD* 
      ))
     (( resid  92 and name HN 
      ))
           3.5 1.58 1.58
! peak number c 1302  F1=  9.307  F2=  6.747   null   null  d=  6.0 dist trop loin
! peak number c 3894  F1=  5.244  F2=  2.823   null   null  d=  4.4
assi (( resid  93 and name HA 
      ))
     (( resid  93 and name HB1 
      ))
           4.4 2.42 2.42
! peak number c 3893  F1=  5.228  F2=  2.894   null   null  d=  4.4
assi (( resid  93 and name HA 
      ))
     (( resid  93 and name HB2 
      ))
           4.4 2.42 2.42
! peak number c 1293  F1=  5.226  F2=  7.140   null   null  d=  4.3
assi (( resid  93 and name HA 
      ))
     (( resid  93 and name HD* 
      ))
           4.3 2.31 2.31
! peak number n 827  F1=  5.239  F2=  8.332   null   null  d=  2.9
assi (( resid  93 and name HA 
      ))
     (( resid  94 and name HN 
      ))
           2.9 0.72 0.72
! peak number c 366  F1=  0.399  F2=  5.229   null   null  d=  4.2
assi (( resid  93 and name HA 
      ))
     (( resid  95 and name HD1* 
      ))
           4.2 2.21 2.21
! peak number c 3891  F1=  7.122  F2=  2.828   null   null  d=  3.9
assi (( resid  93 and name HB1 
      ))
     (( resid  93 and name HD* 
      ))
           3.9 1.90 1.90
! peak number c 3897  F1=  0.413  F2=  2.825   null   null  d=  3.8
assi (( resid  93 and name HB1 
      ))
     (( resid  95 and name HD1* 
      ))
           3.8 1.80 1.80
! peak number c 3176  F1=  2.851  F2=  1.174   null   null  d=  5.2
assi (( resid  93 and name HB1 
      ))
     (( resid  95 and name HG12 
      ))
           5.2 3.38 3.38
! peak number c 3892  F1=  7.123  F2=  2.894   null   null  d=  4.1
assi (( resid  93 and name HB2 
      ))
     (( resid  93 and name HD* 
      ))
           4.09 2.10 2.10
! peak number c 3201  F1=  2.862  F2=  0.399   null   null  d=  3.7
assi (( resid  93 and name HB2 
      ))
     (( resid  95 and name HD1* 
      ))
           3.7 1.67 1.67
! peak number c 3696  F1=  2.906  F2=  0.388   null   null  d=  4.1
assi (( resid  93 and name HB2 
      ))
     (( resid  95 and name HG2* 
      ))
           4.09 2.10 2.10
! peak number c 1285  F1=  2.856  F2=  7.136   null   null  d=  3.4
assi (( resid  93 and name HB* 
      ))
     (( resid  93 and name HD* 
      ))
           3.4 1.44 1.44
! peak number n 635  F1=  2.840  F2=  9.897   null   null  d=  3.2
assi (( resid  93 and name HB* 
      ))
     (( resid  93 and name HN 
      ))
           3.2 1.28 1.28
! peak number c 1295  F1=  9.921  F2=  7.142   null   null  d=  4.3
assi (( resid  93 and name HD* 
      ))
     (( resid  93 and name HN 
      ))
           4.3 2.31 2.31
! peak number n 832  F1=  7.133  F2=  8.324   null   null  d=  3.9
assi (( resid  93 and name HD* 
      ))
     (( resid  94 and name HN 
      ))
           3.9 1.90 1.90
! peak number c 1287  F1=  0.430  F2=  7.143   null   null  d=  3.6
assi (( resid  93 and name HD* 
      ))
     (( resid  95 and name HD1* 
      ))
           3.6 1.62 1.62
! peak number c 1289  F1=  1.013  F2=  7.142   null   null  d=  4.2
assi (( resid  93 and name HD*) or ( resid 128 and name HD* 
      ))
     (( resid  95 and name HG11) or ( resid 81 and name HG2*) or ( resid 51 and name HD2* 
      ))
           4.2 2.21 2.21
! peak number c 1296  F1=  1.487  F2=  6.751   null   null  d=  4.1
assi (( resid  93 and name HE*) or ( resid 92 and name HE* 
      ))
     (( resid  94 and name HB1 
      ))
           4.09 2.10 2.10
! peak number n 643  F1=  0.438  F2=  9.898   null   null  d=  3.8
assi (( resid  93 and name HN 
      ))
     (( resid  95 and name HD1* 
      ))
           3.8 1.80 1.80
! peak number c 3153  F1=  4.155  F2=  1.482   null   null  d=  4.8
assi (( resid  94 and name HA 
      ))
     (( resid  94 and name HB1 
      ))
           4.8 2.94 2.94
! peak number c 3158  F1=  4.157  F2=  2.654   null   null  d=  4.0
assi (( resid  94 and name HA 
      ))
     (( resid  94 and name HB2 
      ))
           4 1.95 1.95
! peak number n 826  F1=  4.133  F2=  8.326   null   null  d=  3.3
assi (( resid  94 and name HA 
      ))
     (( resid  94 and name HN 
      ))
           3.3 0.82 0.82
! peak number n 28  F1=  4.137  F2=  8.990   null   null  d=  2.8
assi (( resid  94 and name HA 
      ))
     (( resid  95 and name HN 
      ))
           2.8 0.70 0.70
! peak number n 829  F1=  1.518  F2=  8.334   null   null  d=  3.2
assi (( resid  94 and name HB1 
      ))
     (( resid  94 and name HN 
      ))
           3.2 1.28 1.28
! peak number n 828  F1=  2.706  F2=  8.332   null   null  d=  3.6
assi (( resid  94 and name HB2 
      ))
     (( resid  94 and name HN 
      ))
           3.6 1.62 1.62
! peak number c 3167  F1=  4.697  F2=  2.004   null   null  d=  5.6 dist trop loin
! peak number c 3198  F1=  4.678  F2=  0.403   null   null  d=  3.0
assi (( resid  95 and name HA 
      ))
     (( resid  95 and name HD1* 
      ))
           3 1.12 1.12
! peak number c 375  F1=  1.011  F2=  4.667   null   null  d=  5.0
assi (( resid  95 and name HA 
      ))
     (( resid  95 and name HG11 
      ))
           5 3.12 3.12
! peak number c 300  F1=  0.396  F2=  4.666   null   null  d=  3.0
assi (( resid  95 and name HA 
      ))
     (( resid  95 and name HG2* 
      ))
           3 1.09 1.09
! peak number n 30  F1=  4.668  F2=  8.997   null   null  d=  3.5
assi (( resid  95 and name HA 
      ))
     (( resid  95 and name HN 
      ))
           3.5 0.88 0.88
! peak number n 16  F1=  4.678  F2=  9.385   null   null  d=  2.8
assi (( resid  95 and name HA 
      ))
     (( resid  96 and name HN 
      ))
           2.8 0.70 0.70
! peak number c 3202  F1=  1.998  F2=  0.401   null   null  d=  3.0
assi (( resid  95 and name HB 
      ))
     (( resid  95 and name HD1* 
      ))
           3 1.12 1.12
! peak number c 3171  F1=  2.018  F2=  1.012   null   null  d=  3.6
assi (( resid  95 and name HB 
      ))
     (( resid  95 and name HG11 
      ))
           3.6 1.62 1.62
! peak number c 3163  F1=  1.186  F2=  1.993   null   null  d=  4.5
assi (( resid  95 and name HB 
      ))
     (( resid  95 and name HG12 
      ))
           4.5 2.48 2.48
! peak number c 3159  F1=  0.405  F2=  1.999   null   null  d=  2.9
assi (( resid  95 and name HB 
      ))
     (( resid  95 and name HG2*) or ( resid 69 and name HB* 
      ))
           2.9 1.05 1.05
! peak number c 3166  F1=  8.965  F2=  2.005   null   null  d=  3.6
assi (( resid  95 and name HB 
      ))
     (( resid  95 and name HN 
      ))
           3.6 1.67 1.67
! peak number c 3168  F1=  0.406  F2=  1.013   null   null  d=  2.8
assi (( resid  95 and name HD1* 
      ))
     (( resid  95 and name HG11 
      ))
           2.8 0.98 0.98
! peak number c 3178  F1=  0.385  F2=  1.174   null   null  d=  3.0
assi (( resid  95 and name HD1* 
      ))
     (( resid  95 and name HG12 
      ))
           3 1.09 1.09
! peak number c 3193  F1=  8.970  F2=  0.400   null   null  d=  3.4
assi (( resid  95 and name HD1* 
      ))
     (( resid  95 and name HN 
      ))
           3.4 1.44 1.44
! peak number c 3180  F1=  0.989  F2=  0.385   null   null  d=  3.2
assi (( resid  95 and name HG11 
      ))
     (( resid  95 and name HG2* 
      ))
           3.2 1.28 1.28
! peak number n 27  F1=  1.053  F2=  8.980   null   null  d=  3.7
assi (( resid  95 and name HG11 
      ))
     (( resid  95 and name HN 
      ))
           3.7 1.71 1.71
! peak number c 3181  F1=  1.188  F2=  0.388   null   null  d=  3.2
assi (( resid  95 and name HG12 
      ))
     (( resid  95 and name HG2* 
      ))
           3.2 1.28 1.28
! peak number n 25  F1=  1.205  F2=  8.992   null   null  d=  3.8
assi (( resid  95 and name HG12 
      ))
     (( resid  95 and name HN 
      ))
           3.8 1.80 1.80
! peak number c 3189  F1=  8.954  F2=  0.383   null   null  d=  3.8
assi (( resid  95 and name HG2* 
      ))
     (( resid  95 and name HN 
      ))
           3.8 1.80 1.80
! peak number c 3190  F1=  9.372  F2=  0.384   null   null  d=  3.1
assi (( resid  95 and name HG2* 
      ))
     (( resid  96 and name HN 
      ))
           3.1 1.20 1.20
! peak number c 221  F1=  1.907  F2=  5.065   null   null  d=  4.3
assi (( resid  96 and name HA 
      ))
     (( resid  96 and name HB2 
      ))
           4.3 2.31 2.31
! peak number n 68  F1=  5.078  F2=  8.887   null   null  d=  2.7
assi (( resid  96 and name HA 
      ))
     (( resid  97 and name HN 
      ))
           2.7 0.68 0.68
! peak number c 3220  F1=  9.367  F2=  1.584   null   null  d=  4.2
assi (( resid  96 and name HB1 
      ))
     (( resid  96 and name HN 
      ))
           4.2 2.26 2.26
! peak number n 13  F1=  1.962  F2=  9.378   null   null  d=  2.9
assi (( resid  96 and name HB2 
      ))
     (( resid  96 and name HN 
      ))
           2.9 1.05 1.05
! peak number n 12  F1=  1.754  F2=  9.372   null   null  d=  3.7
assi (( resid  96 and name HG1 
      ))
     (( resid  96 and name HN 
      ))
           3.7 1.71 1.71
! peak number n 72  F1=  1.742  F2=  8.891   null   null  d=  3.2
assi (( resid  96 and name HG1 
      ))
     (( resid  97 and name HN 
      ))
           3.2 1.28 1.28
! peak number n 269  F1=  1.729  F2=  8.715   null   null  d=  3.9
assi (( resid  96 and name HG1 
      ))
     (( resid  99 and name HN 
      ))
           3.9 1.90 1.90
! peak number c 3226  F1=  4.618  F2=  1.879   null   null  d=  3.3
assi (( resid  97 and name HA 
      ))
     (( resid  97 and name HB* 
      ))
           3.3 1.36 1.36
! peak number c 382  F1=  1.611  F2=  4.601   null   null  d=  4.8
assi (( resid  97 and name HA 
      ))
     (( resid  97 and name HD* 
      ))
           4.8 2.88 2.88
! peak number c 384  F1=  1.348  F2=  4.601   null   null  d=  4.2
assi (( resid  97 and name HA 
      ))
     (( resid  97 and name HG1 
      ))
           4.2 2.21 2.21
! peak number c 383  F1=  1.489  F2=  4.599   null   null  d=  3.8
assi (( resid  97 and name HA 
      ))
     (( resid  97 and name HG2 
      ))
           3.8 1.80 1.80
! peak number n 70  F1=  4.623  F2=  8.883   null   null  d=  3.3
assi (( resid  97 and name HA 
      ))
     (( resid  97 and name HN 
      ))
           3.3 0.82 0.82
! peak number c 387  F1=  4.584  F2=  3.903   null   null  d=  4.9
assi (( resid  97 and name HA 
      ))
     (( resid  98 and name HA 
      ))
           4.9 1.23 1.23
! peak number n 264  F1=  4.643  F2=  8.712   null   null  d=  3.6
assi (( resid  97 and name HA 
      ))
     (( resid  99 and name HN 
      ))
           3.6 0.90 0.90
! peak number n 71  F1=  1.934  F2=  8.889   null   null  d=  2.6
assi (( resid  97 and name HB2 
      ))
     (( resid  97 and name HN 
      ))
           2.6 0.85 0.85
! peak number n 268  F1=  1.944  F2=  8.712   null   null  d=  3.2
assi (( resid  97 and name HB2 
      ))
     (( resid  99 and name HN 
      ))
           3.2 1.28 1.28
! peak number c 3228  F1=  2.941  F2=  1.851   null   null  d=  4.4
assi (( resid  97 and name HB* 
      ))
     (( resid  97 and name HE* 
      ))
           4.4 2.42 2.42
! peak number c 3229  F1=  1.356  F2=  1.866   null   null  d=  3.1
assi (( resid  97 and name HB* 
      ))
     (( resid  97 and name HG1 
      ))
           3.1 1.20 1.20
! peak number c 3225  F1=  8.873  F2=  1.862   null   null  d=  3.5
assi (( resid  97 and name HB* 
      ))
     (( resid  97 and name HN 
      ))
           3.5 1.53 1.53
! peak number c 3849  F1=  2.238  F2=  1.848   null   null  d=  4.0
assi (( resid  97 and name HB* 
      ))
     (( resid  98 and name HB2 
      ))
           4 2.00 2.00
! peak number n 73  F1=  1.632  F2=  8.885   null   null  d=  3.4
assi (( resid  97 and name HD*) or ( resid 96 and name HB1 
      ))
     (( resid  97 and name HN 
      ))
           3.4 1.44 1.44
! peak number c 3231  F1=  2.937  F2=  1.355   null   null  d=  3.2
assi (( resid  97 and name HE* 
      ))
     (( resid  97 and name HG1 
      ))
           3.2 1.28 1.28
! peak number c 3230  F1=  2.929  F2=  1.473   null   null  d=  3.1
assi (( resid  97 and name HE* 
      ))
     (( resid  97 and name HG2 
      ))
           3.1 1.20 1.20
! peak number c 3233  F1=  2.279  F2=  1.351   null   null  d=  3.4
assi (( resid  97 and name HG1 
      ))
     (( resid  98 and name HB2 
      ))
           3.4 1.44 1.44
! peak number c 3232  F1=  2.289  F2=  1.473   null   null  d=  3.3
assi (( resid  97 and name HG2 
      ))
     (( resid  98 and name HB2 
      ))
           3.3 1.36 1.36
! peak number n 272  F1=  8.900  F2=  8.706   null   null  d=  3.6
assi (( resid  97 and name HN 
      ))
     (( resid  99 and name HN 
      ))
           3.6 0.90 0.90
! peak number c 385  F1=  1.998  F2=  3.903   null   null  d=  2.8
assi (( resid  98 and name HA 
      ))
     (( resid  98 and name HB1 
      ))
           2.8 0.98 0.98
! peak number c 386  F1=  2.258  F2=  3.903   null   null  d=  2.4
assi (( resid  98 and name HA 
      ))
     (( resid  98 and name HG*) or ( resid 98 and name HB2 
      ))
           2.4 0.72 0.72
! peak number n 262  F1=  3.920  F2=  8.708   null   null  d=  3.0
assi (( resid  98 and name HA 
      ))
     (( resid  99 and name HN 
      ))
           3 0.75 0.75
! peak number c 3237  F1=  3.900  F2=  1.989   null   null  d=  3.9
assi (( resid  98 and name HA) or ( resid 115 and name HA 
      ))
     (( resid  98 and name HB1) or ( resid 115 and name HB1 
      ))
           3.9 1.90 1.90
! peak number c 3234  F1=  3.900  F2=  2.278   null   null  d=  3.4
assi (( resid  98 and name HA) or ( resid 115 and name HA 
      ))
     (( resid  98 and name HB2) or ( resid 115 and name HB2 
      ))
           3.4 1.44 1.44
! peak number c 2845  F1=  2.015  F2=  2.251   null   null  d=  1.8
assi (( resid  98 and name HB1 
      ))
     (( resid  98 and name HG* 
      ))
           1.8 0.41 0.41
! peak number n 267  F1=  2.040  F2=  8.700   null   null  d=  3.5
assi (( resid  98 and name HB1 
      ))
     (( resid  99 and name HN 
      ))
           3.5 1.53 1.53
! peak number c 3235  F1=  1.970  F2=  2.261   null   null  d=  2.3
assi (( resid  98 and name HB1) or ( resid 115 and name HB1 
      ))
     (( resid  98 and name HB2) or ( resid 115 and name HB2 
      ))
           2.29 0.66 0.66
! peak number c 146  F1=  3.567  F2=  4.104   null   null  d=  2.7
assi (( resid  99 and name HA1 
      ))
     (( resid  99 and name HA2 
      ))
           2.7 0.68 0.68
! peak number c 3240  F1=  8.686  F2=  3.573   null   null  d=  3.0
assi (( resid  99 and name HA1 
      ))
     (( resid  99 and name HN 
      ))
           3 0.75 0.75
! peak number c 3241  F1=  8.662  F2=  4.105   null   null  d=  2.9
assi (( resid  99 and name HA2 
      ))
     (( resid  99 and name HN 
      ))
           2.9 0.71 0.71
! peak number c 30  F1=  2.697  F2=  4.637   null   null  d=  3.9
assi (( resid  9 and name HA 
      ))
     (( resid  9 and name HB1 
      ))
           3.9 1.90 1.90
! peak number c 2021  F1=  4.657  F2=  3.203   null   null  d=  3.3
assi (( resid  9 and name HA 
      ))
     (( resid  9 and name HB2 
      ))
           3.3 1.36 1.36
! peak number c 1037  F1=  4.652  F2=  7.144   null   null  d=  4.9
assi (( resid  9 and name HA 
      ))
     (( resid  9 and name HD* 
      ))
           4.9 3.00 3.00
! peak number n 1029  F1=  4.652  F2=  8.757   null   null  d=  3.6
assi (( resid  9 and name HA 
      ))
     (( resid  9 and name HN 
      ))
           3.6 0.90 0.90
! peak number c 1036  F1=  4.659  F2=  7.286   null   null  d=  4.7
assi (( resid  9 and name HA) or ( resid 32 and name HA 
      ))
     (( resid  9 and name HE* 
      ))
           4.7 2.76 2.76
! peak number c 2013  F1=  3.217  F2=  2.679   null   null  d=  2.8
assi (( resid  9 and name HB1 
      ))
     (( resid  9 and name HB2 
      ))
           2.8 0.98 0.98
! peak number c 1039  F1=  2.678  F2=  7.150   null   null  d=  3.9
assi (( resid  9 and name HB1 
      ))
     (( resid  9 and name HD* 
      ))
           3.9 1.90 1.90
! peak number c 1034  F1=  2.683  F2=  7.293   null   null  d=  5.1
assi (( resid  9 and name HB1 
      ))
     (( resid  9 and name HE* 
      ))
           5.09 3.25 3.25
! peak number c 2008  F1=  8.745  F2=  2.692   null   null  d=  3.8
assi (( resid  9 and name HB1 
      ))
     (( resid  9 and name HN 
      ))
           3.8 1.85 1.85
! peak number c 1038  F1=  3.210  F2=  7.150   null   null  d=  3.9
assi (( resid  9 and name HB2 
      ))
     (( resid  9 and name HD* 
      ))
           3.9 1.90 1.90
! peak number c 2018  F1=  8.732  F2=  3.205   null   null  d=  4.0
assi (( resid  9 and name HB2 
      ))
     (( resid  9 and name HN 
      ))
           4 2.00 2.00
! peak number c 1035  F1=  3.234  F2=  7.290   null   null  d=  5.2
assi (( resid  9 and name HB2) or ( resid 116 and name HA2 
      ))
     (( resid  9 and name HE*) or ( resid 24 and name HE* 
      ))
           5.2 1.30 1.30

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H    ASN   7           HN       ASN   7 -14.523  17.492  -4.121
    2    HA   ASN   7           HA       ASN   7 -15.307  15.134  -2.853
    3   1HB   ASN   7          HB2       ASN   7 -16.880  15.316  -4.931
    4   2HB   ASN   7          HB1       ASN   7 -15.428  15.059  -5.960
    5   1HD2  ASN   7          HD21      ASN   7 -17.447  13.227  -6.212
    6   2HD2  ASN   7          HD22      ASN   7 -16.958  11.717  -5.385
    7    H    SER   8           HN       SER   8 -13.441  13.484  -3.282
    8    HA   SER   8           HA       SER   8 -11.126  14.331  -4.682
    9   1HB   SER   8          HB1       SER   8 -10.988  14.884  -1.672
   10   2HB   SER   8          HB2       SER   8  -9.506  14.694  -2.696
   11    HG   SER   8           HG       SER   8 -11.463  16.452  -3.609
   12    H    PHE   9           HN       PHE   9  -9.986  12.806  -1.830
   13    HA   PHE   9           HA       PHE   9  -9.983  10.157  -3.209
   14   1HB   PHE   9          HB2       PHE   9  -7.768   9.754  -2.228
   15   2HB   PHE   9          HB1       PHE   9  -7.660  10.897  -3.499
   16    HD1  PHE   9           HD1      PHE   9  -7.342  10.031  -0.073
   17    HD2  PHE   9           HD2      PHE   9  -7.080  13.340  -2.741
   18    HE1  PHE   9           HE1      PHE   9  -5.586  10.893   1.232
   19    HE2  PHE   9           HE2      PHE   9  -5.468  14.404  -1.225
   20    HZ   PHE   9           HZ       PHE   9  -4.648  13.186   0.764
   21    H    VAL  10           HN       VAL  10 -12.118  10.980  -1.547
   22    HA   VAL  10           HA       VAL  10 -11.713   9.486   0.869
   23    HB   VAL  10           HB       VAL  10 -13.838   9.954   1.496
   24   1HG1  VAL  10          HG11      VAL  10 -13.578  12.399   1.302
   25   2HG1  VAL  10          HG12      VAL  10 -12.799  12.202  -0.313
   26   3HG1  VAL  10          HG13      VAL  10 -11.911  11.664   1.148
   27   1HG2  VAL  10          HG21      VAL  10 -14.372  10.820  -1.427
   28   2HG2  VAL  10          HG22      VAL  10 -15.452  11.097   0.005
   29   3HG2  VAL  10          HG23      VAL  10 -15.160   9.414  -0.574
   30    H    GLY  11           HN       GLY  11 -11.605   8.082  -1.937
   31   1HA   GLY  11          HA2       GLY  11 -12.514   5.449  -0.975
   32   2HA   GLY  11          HA1       GLY  11 -12.970   6.086  -2.680
   33    H    LEU  12           HN       LEU  12 -10.006   6.836  -1.087
   34    HA   LEU  12           HA       LEU  12  -8.234   6.120  -3.053
   35   1HB   LEU  12          HB1       LEU  12  -8.062   8.018  -2.047
   36   2HB   LEU  12          HB2       LEU  12  -8.428   7.467  -0.383
   37    HG   LEU  12           HG       LEU  12  -5.972   8.550  -0.680
   38   1HD1  LEU  12          HD21      LEU  12  -5.630   7.033   1.317
   39   2HD1  LEU  12          HD22      LEU  12  -7.027   6.079   0.741
   40   3HD1  LEU  12          HD23      LEU  12  -7.204   7.792   1.239
   41   1HD2  LEU  12          HD11      LEU  12  -4.519   7.559  -1.675
   42   2HD2  LEU  12          HD12      LEU  12  -5.869   6.988  -2.703
   43   3HD2  LEU  12          HD13      LEU  12  -5.278   5.912  -1.254
   44    H    ARG  13           HN       ARG  13  -6.024   5.062  -2.453
   45    HA   ARG  13           HA       ARG  13  -6.433   2.171  -2.097
   46   1HB   ARG  13          HB2       ARG  13  -4.460   3.795  -3.783
   47   2HB   ARG  13          HB1       ARG  13  -4.452   2.013  -3.598
   48   1HG   ARG  13          HG2       ARG  13  -6.746   1.909  -4.615
   49   2HG   ARG  13          HG1       ARG  13  -6.712   3.692  -4.853
   50   1HD   ARG  13          HD2       ARG  13  -4.669   3.465  -6.308
   51   2HD   ARG  13          HD1       ARG  13  -4.692   1.667  -6.039
   52    HE   ARG  13           HE       ARG  13  -7.245   2.701  -7.092
   53   1HH1  ARG  13          HH11      ARG  13  -3.943   1.683  -8.025
   54   2HH1  ARG  13          HH12      ARG  13  -4.363   1.369  -9.676
   55   1HH2  ARG  13          HH21      ARG  13  -7.781   2.279  -9.320
   56   2HH2  ARG  13          HH22      ARG  13  -6.568   1.713 -10.419
   57    H    VAL  14           HN       VAL  14  -5.285   1.486   0.051
   58    HA   VAL  14           HA       VAL  14  -3.167   3.386   0.852
   59    HB   VAL  14           HB       VAL  14  -3.848   3.516   3.105
   60   1HG1  VAL  14          HG21      VAL  14  -5.652   5.059   2.666
   61   2HG1  VAL  14          HG22      VAL  14  -6.190   4.111   1.210
   62   3HG1  VAL  14          HG23      VAL  14  -4.656   5.026   1.161
   63   1HG2  VAL  14          HG11      VAL  14  -5.260   1.550   3.588
   64   2HG2  VAL  14          HG12      VAL  14  -6.462   2.151   2.362
   65   3HG2  VAL  14          HG13      VAL  14  -6.141   3.089   3.826
   66    H    VAL  15           HN       VAL  15  -1.923   2.848   2.726
   67    HA   VAL  15           HA       VAL  15  -0.815   0.122   2.559
   68    HB   VAL  15           HB       VAL  15   1.331   1.327   3.399
   69   1HG1  VAL  15          HG21      VAL  15   0.277   1.614   0.521
   70   2HG1  VAL  15          HG22      VAL  15   0.995   0.122   1.263
   71   3HG1  VAL  15          HG23      VAL  15   2.007   1.619   1.043
   72   1HG2  VAL  15          HG11      VAL  15   1.487   3.679   2.837
   73   2HG2  VAL  15          HG12      VAL  15   0.062   3.541   3.851
   74   3HG2  VAL  15          HG13      VAL  15  -0.107   3.721   2.062
   75    H    ALA  16           HN       ALA  16  -0.163  -0.773   4.533
   76    HA   ALA  16           HA       ALA  16  -1.402   0.413   6.921
   77   1HB   ALA  16          HB1       ALA  16  -1.634  -2.369   5.565
   78   2HB   ALA  16          HB2       ALA  16  -2.925  -1.240   5.959
   79   3HB   ALA  16          HB3       ALA  16  -2.086  -2.113   7.295
   80    H    LYS  17           HN       LYS  17   0.143   1.003   8.198
   81    HA   LYS  17           HA       LYS  17   2.157  -0.922   9.145
   82   1HB   LYS  17          HB2       LYS  17   3.000   1.855   9.540
   83   2HB   LYS  17          HB1       LYS  17   3.801   0.520   8.677
   84   1HG   LYS  17          HG1       LYS  17   3.151   1.456   6.490
   85   2HG   LYS  17          HG2       LYS  17   1.682   2.123   7.188
   86   1HD   LYS  17          HD1       LYS  17   2.669   4.070   7.076
   87   2HD   LYS  17          HD2       LYS  17   3.381   3.637   8.648
   88   1HE   LYS  17          HE2       LYS  17   5.447   2.777   7.467
   89   2HE   LYS  17          HE1       LYS  17   4.685   3.224   5.868
   90   1HZ   LYS  17          HZ1       LYS  17   6.242   4.877   6.677
   91   2HZ   LYS  17          HZ2       LYS  17   5.362   5.080   8.116
   92   3HZ   LYS  17          HZ3       LYS  17   4.670   5.517   6.627
   93    H    TRP  18           HN       TRP  18   1.640  -1.212  11.440
   94    HA   TRP  18           HA       TRP  18  -0.085   0.865  12.678
   95   1HB   TRP  18          HB2       TRP  18   0.576  -1.903  13.749
   96   2HB   TRP  18          HB1       TRP  18  -0.411  -0.658  14.559
   97    HD1  TRP  18           HD1      TRP  18  -0.838  -3.465  11.942
   98    HE1  TRP  18           HE1      TRP  18  -3.380  -3.413  11.289
   99    HE3  TRP  18           HE3      TRP  18  -2.046   1.036  13.964
  100    HZ2  TRP  18           HZ2      TRP  18  -5.516  -1.610  11.550
  101    HZ3  TRP  18           HZ3      TRP  18  -4.326   1.688  14.012
  102    HH2  TRP  18           HH2      TRP  18  -6.062   0.465  12.754
  103    H    SER  19           HN       SER  19   3.067  -0.778  13.466
  104    HA   SER  19           HA       SER  19   3.979   1.728  14.734
  105   1HB   SER  19          HB1       SER  19   5.638   0.284  15.995
  106   2HB   SER  19          HB2       SER  19   3.930  -0.068  16.407
  107    HG   SER  19           HG       SER  19   5.820  -1.724  15.164
  108    H    SER  20           HN       SER  20   6.116   2.516  13.882
  109    HA   SER  20           HA       SER  20   6.706   1.426  11.219
  110   1HB   SER  20          HB1       SER  20   7.883   3.772  12.774
  111   2HB   SER  20          HB2       SER  20   8.633   3.149  11.247
  112    HG   SER  20           HG       SER  20   6.954   4.868  11.038
  113    H    ASN  21           HN       ASN  21   7.551  -0.385  11.192
  114    HA   ASN  21           HA       ASN  21   9.838  -1.230  12.857
  115   1HB   ASN  21          HB1       ASN  21   7.069  -2.173  12.235
  116   2HB   ASN  21          HB2       ASN  21   8.236  -3.518  12.020
  117   1HD2  ASN  21          HD21      ASN  21   9.785  -3.970  13.836
  118   2HD2  ASN  21          HD22      ASN  21   9.223  -3.712  15.484
  119    H    GLY  22           HN       GLY  22   9.241  -0.153  10.106
  120   1HA   GLY  22          HA2       GLY  22  10.784  -0.005   8.412
  121   2HA   GLY  22          HA1       GLY  22  11.299  -1.671   8.684
  122    H    TYR  23           HN       TYR  23   8.178  -2.455   8.385
  123    HA   TYR  23           HA       TYR  23   7.825  -1.824   5.606
  124   1HB   TYR  23          HB2       TYR  23   7.206  -4.377   5.107
  125   2HB   TYR  23          HB1       TYR  23   8.798  -3.602   4.863
  126    HD1  TYR  23           HD1      TYR  23  10.586  -4.734   5.601
  127    HD2  TYR  23           HD2      TYR  23   6.872  -5.365   7.595
  128    HE1  TYR  23           HE1      TYR  23  11.554  -6.623   6.774
  129    HE2  TYR  23           HE2      TYR  23   7.881  -7.225   8.864
  130    HH   TYR  23           HH       TYR  23  10.205  -8.918   7.980
  131    H    PHE  24           HN       PHE  24   5.851  -2.083   4.558
  132    HA   PHE  24           HA       PHE  24   3.508  -2.078   6.362
  133   1HB   PHE  24          HB1       PHE  24   2.775  -0.597   3.949
  134   2HB   PHE  24          HB2       PHE  24   2.634  -0.207   5.657
  135    HD1  PHE  24           HD1      PHE  24   3.442   1.492   2.890
  136    HD2  PHE  24           HD2      PHE  24   5.431   0.177   6.478
  137    HE1  PHE  24           HE1      PHE  24   5.314   2.897   2.425
  138    HE2  PHE  24           HE2      PHE  24   7.370   1.466   5.878
  139    HZ   PHE  24           HZ       PHE  24   7.298   2.823   3.843
  140    H    TYR  25           HN       TYR  25   1.687  -2.808   5.727
  141    HA   TYR  25           HA       TYR  25   1.414  -4.813   3.641
  142   1HB   TYR  25          HB1       TYR  25  -0.031  -4.227   6.331
  143   2HB   TYR  25          HB2       TYR  25  -0.592  -5.498   5.163
  144    HD1  TYR  25           HD1      TYR  25   1.999  -4.648   7.641
  145    HD2  TYR  25           HD2      TYR  25   0.898  -7.285   4.471
  146    HE1  TYR  25           HE1      TYR  25   3.946  -6.068   8.136
  147    HE2  TYR  25           HE2      TYR  25   2.832  -8.693   4.957
  148    HH   TYR  25           HH       TYR  25   4.641  -8.965   6.168
  149    H    SER  26           HN       SER  26  -1.248  -4.720   3.171
  150    HA   SER  26           HA       SER  26  -1.689  -2.073   1.945
  151   1HB   SER  26          HB1       SER  26  -1.299  -4.084   0.505
  152   2HB   SER  26          HB2       SER  26  -2.781  -4.770   1.264
  153    HG   SER  26           HG       SER  26  -2.637  -2.232  -0.137
  154    H    GLY  27           HN       GLY  27  -3.630  -1.082   1.895
  155   1HA   GLY  27          HA2       GLY  27  -5.959  -1.973   3.333
  156   2HA   GLY  27          HA1       GLY  27  -5.188  -0.405   3.739
  157    H    LYS  28           HN       LYS  28  -7.953  -0.469   2.851
  158    HA   LYS  28           HA       LYS  28  -7.584   1.195   0.480
  159   1HB   LYS  28          HB1       LYS  28  -9.667   0.362  -0.619
  160   2HB   LYS  28          HB2       LYS  28  -8.374  -0.872  -0.529
  161   1HG   LYS  28          HG2       LYS  28  -9.474  -1.914   1.469
  162   2HG   LYS  28          HG1       LYS  28 -10.823  -0.748   1.343
  163   1HD   LYS  28          HD1       LYS  28 -11.363  -1.590  -0.945
  164   2HD   LYS  28          HD2       LYS  28  -9.949  -2.705  -0.883
  165   1HE   LYS  28          HE2       LYS  28 -11.020  -3.910   1.079
  166   2HE   LYS  28          HE1       LYS  28 -12.446  -2.801   0.947
  167   1HZ   LYS  28          HZ1       LYS  28 -12.815  -4.877  -0.166
  168   2HZ   LYS  28          HZ2       LYS  28 -11.457  -4.651  -1.160
  169   3HZ   LYS  28          HZ3       LYS  28 -12.788  -3.605  -1.291
  170    H    ILE  29           HN       ILE  29  -8.752   3.458   0.643
  171    HA   ILE  29           HA       ILE  29 -10.230   3.410   3.212
  172    HB   ILE  29           HB       ILE  29 -10.310   5.475   3.617
  173   1HG1  ILE  29          HG12      ILE  29  -9.489   6.203   0.784
  174   2HG1  ILE  29          HG11      ILE  29 -11.143   6.375   1.439
  175   1HG2  ILE  29          HG21      ILE  29  -7.727   4.859   2.162
  176   2HG2  ILE  29          HG22      ILE  29  -8.099   4.344   3.828
  177   3HG2  ILE  29          HG23      ILE  29  -7.893   6.093   3.436
  178   1HD1  ILE  29          HD11      ILE  29 -10.238   7.813   3.330
  179   2HD1  ILE  29          HD12      ILE  29 -10.052   8.558   1.710
  180   3HD1  ILE  29          HD13      ILE  29  -8.656   7.816   2.529
  181    H    THR  30           HN       THR  30 -12.176   4.371   3.706
  182    HA   THR  30           HA       THR  30 -14.368   3.863   1.766
  183    HB   THR  30           HB       THR  30 -14.493   3.712   4.826
  184    HG1  THR  30           HG1      THR  30 -13.290   2.068   3.632
  185   1HG2  THR  30          HG21      THR  30 -16.494   2.920   2.591
  186   2HG2  THR  30          HG22      THR  30 -16.750   4.249   3.786
  187   3HG2  THR  30          HG23      THR  30 -16.677   2.543   4.338
  188    H    ARG  31           HN       ARG  31 -12.996   6.277   4.264
  189    HA   ARG  31           HA       ARG  31 -14.467   8.344   2.920
  190   1HB   ARG  31          HB1       ARG  31 -15.004   7.741   5.929
  191   2HB   ARG  31          HB2       ARG  31 -15.466   9.260   5.081
  192   1HG   ARG  31          HG2       ARG  31 -17.083   7.985   3.673
  193   2HG   ARG  31          HG1       ARG  31 -16.641   6.481   4.562
  194   1HD   ARG  31          HD2       ARG  31 -17.378   7.511   6.725
  195   2HD   ARG  31          HD1       ARG  31 -17.869   9.019   5.831
  196    HE   ARG  31           HE       ARG  31 -19.098   6.760   4.536
  197   1HH1  ARG  31          HH11      ARG  31 -19.302   8.508   7.649
  198   2HH1  ARG  31          HH12      ARG  31 -20.970   8.115   7.910
  199   1HH2  ARG  31          HH21      ARG  31 -21.335   6.245   4.908
  200   2HH2  ARG  31          HH22      ARG  31 -22.138   6.813   6.334
  201    H    ASP  32           HN       ASP  32 -13.566  10.501   4.002
  202    HA   ASP  32           HA       ASP  32 -10.843   9.993   5.078
  203   1HB   ASP  32          HB2       ASP  32 -11.138  11.491   3.075
  204   2HB   ASP  32          HB1       ASP  32 -12.088  12.625   4.090
  205    H    VAL  33           HN       VAL  33 -10.355  10.426   7.273
  206    HA   VAL  33           HA       VAL  33 -12.434  11.778   8.912
  207    HB   VAL  33           HB       VAL  33 -11.054  10.722  10.908
  208   1HG1  VAL  33          HG21      VAL  33 -13.494  10.615  10.444
  209   2HG1  VAL  33          HG22      VAL  33 -12.853   9.041  11.040
  210   3HG1  VAL  33          HG23      VAL  33 -13.218   9.255   9.292
  211   1HG2  VAL  33          HG11      VAL  33  -9.970   8.584  10.620
  212   2HG2  VAL  33          HG12      VAL  33  -9.556   9.306   9.104
  213   3HG2  VAL  33          HG13      VAL  33 -10.936   8.186   9.204
  214    H    GLY  34           HN       GLY  34 -11.904  13.758   9.630
  215   1HA   GLY  34          HA2       GLY  34 -10.884  15.723   9.655
  216   2HA   GLY  34          HA1       GLY  34  -9.818  14.801  10.766
  217    H    ALA  35           HN       ALA  35  -8.030  16.142  10.559
  218    HA   ALA  35           HA       ALA  35  -6.626  16.183   7.935
  219   1HB   ALA  35          HB1       ALA  35  -6.296  17.959  10.452
  220   2HB   ALA  35          HB2       ALA  35  -7.098  18.476   8.926
  221   3HB   ALA  35          HB3       ALA  35  -5.341  18.090   8.928
  222    H    GLY  36           HN       GLY  36  -5.385  14.643   7.646
  223   1HA   GLY  36          HA2       GLY  36  -3.409  13.562   7.985
  224   2HA   GLY  36          HA1       GLY  36  -3.577  13.696   9.769
  225    H    LYS  37           HN       LYS  37  -6.643  12.732   9.031
  226    HA   LYS  37           HA       LYS  37  -5.830   9.902   9.296
  227   1HB   LYS  37          HB2       LYS  37  -8.320  10.054  10.455
  228   2HB   LYS  37          HB1       LYS  37  -6.766   9.859  11.249
  229   1HG   LYS  37          HG2       LYS  37  -6.652  12.335  11.649
  230   2HG   LYS  37          HG1       LYS  37  -8.137  12.574  10.711
  231   1HD   LYS  37          HD1       LYS  37  -9.408  11.116  12.293
  232   2HD   LYS  37          HD2       LYS  37  -7.914  10.906  13.275
  233   1HE   LYS  37          HE2       LYS  37  -7.837  13.362  13.730
  234   2HE   LYS  37          HE1       LYS  37  -9.299  13.619  12.694
  235   1HZ   LYS  37          HZ1       LYS  37  -9.842  13.529  15.017
  236   2HZ   LYS  37          HZ2       LYS  37  -9.170  11.975  15.168
  237   3HZ   LYS  37          HZ3       LYS  37 -10.540  12.216  14.195
  238    H    TYR  38           HN       TYR  38  -7.338   8.244   8.760
  239    HA   TYR  38           HA       TYR  38  -8.791   8.633   6.247
  240   1HB   TYR  38          HB1       TYR  38  -6.444   6.699   6.746
  241   2HB   TYR  38          HB2       TYR  38  -7.552   6.612   5.326
  242    HD1  TYR  38           HD1      TYR  38  -4.610   8.063   6.621
  243    HD2  TYR  38           HD2      TYR  38  -7.849   8.996   4.081
  244    HE1  TYR  38           HE1      TYR  38  -3.182   9.742   5.492
  245    HE2  TYR  38           HE2      TYR  38  -6.584  10.877   3.168
  246    HH   TYR  38           HH       TYR  38  -3.174  11.426   3.756
  247    H    LYS  39           HN       LYS  39 -10.794   7.138   6.209
  248    HA   LYS  39           HA       LYS  39 -11.177   5.230   8.489
  249   1HB   LYS  39          HB1       LYS  39 -12.898   6.910   8.779
  250   2HB   LYS  39          HB2       LYS  39 -12.949   7.284   7.035
  251   1HG   LYS  39          HG1       LYS  39 -15.013   6.201   7.680
  252   2HG   LYS  39          HG2       LYS  39 -14.110   5.136   6.553
  253   1HD   LYS  39          HD2       LYS  39 -13.346   3.747   8.551
  254   2HD   LYS  39          HD1       LYS  39 -14.394   4.750   9.606
  255   1HE   LYS  39          HE2       LYS  39 -15.311   3.170   7.116
  256   2HE   LYS  39          HE1       LYS  39 -15.472   2.580   8.824
  257   1HZ   LYS  39          HZ1       LYS  39 -16.880   4.479   9.283
  258   2HZ   LYS  39          HZ2       LYS  39 -17.503   3.545   8.009
  259   3HZ   LYS  39          HZ3       LYS  39 -16.733   5.022   7.681
  260    H    LEU  40           HN       LEU  40 -10.692   3.484   7.987
  261    HA   LEU  40           HA       LEU  40 -10.873   2.742   5.151
  262   1HB   LEU  40          HB1       LEU  40  -8.460   2.289   5.117
  263   2HB   LEU  40          HB2       LEU  40  -8.694   3.909   5.831
  264    HG   LEU  40           HG       LEU  40  -7.245   3.176   7.338
  265   1HD1  LEU  40          HD11      LEU  40  -9.033   3.633   8.798
  266   2HD1  LEU  40          HD12      LEU  40  -7.921   2.380   9.418
  267   3HD1  LEU  40          HD13      LEU  40  -9.498   1.849   8.714
  268   1HD2  LEU  40          HD21      LEU  40  -8.264   0.239   7.263
  269   2HD2  LEU  40          HD22      LEU  40  -6.668   0.820   7.817
  270   3HD2  LEU  40          HD23      LEU  40  -7.106   0.828   6.043
  271    H    LEU  41           HN       LEU  41 -10.370   0.631   4.451
  272    HA   LEU  41           HA       LEU  41 -10.692  -1.295   6.674
  273   1HB   LEU  41          HB2       LEU  41 -12.673  -0.461   5.812
  274   2HB   LEU  41          HB1       LEU  41 -12.348  -0.859   4.081
  275    HG   LEU  41           HG       LEU  41 -12.571  -3.062   6.237
  276   1HD1  LEU  41          HD11      LEU  41 -14.929  -3.455   5.459
  277   2HD1  LEU  41          HD12      LEU  41 -14.839  -2.019   4.375
  278   3HD1  LEU  41          HD13      LEU  41 -14.777  -1.814   6.156
  279   1HD2  LEU  41          HD21      LEU  41 -12.884  -2.917   3.125
  280   2HD2  LEU  41          HD22      LEU  41 -13.275  -4.379   4.075
  281   3HD2  LEU  41          HD23      LEU  41 -11.585  -3.765   4.024
  282    H    PHE  42           HN       PHE  42  -9.336  -3.135   6.432
  283    HA   PHE  42           HA       PHE  42  -7.236  -2.778   4.503
  284   1HB   PHE  42          HB2       PHE  42  -7.905  -5.235   6.225
  285   2HB   PHE  42          HB1       PHE  42  -6.581  -5.279   4.992
  286    HD1  PHE  42           HD1      PHE  42  -4.764  -5.567   6.228
  287    HD2  PHE  42           HD2      PHE  42  -7.361  -2.365   7.389
  288    HE1  PHE  42           HE1      PHE  42  -3.089  -4.758   7.808
  289    HE2  PHE  42           HE2      PHE  42  -5.661  -1.555   8.917
  290    HZ   PHE  42           HZ       PHE  42  -3.492  -2.700   9.098
  291    H    ASP  43           HN       ASP  43  -6.669  -4.135   2.519
  292    HA   ASP  43           HA       ASP  43  -8.745  -4.484   0.727
  293   1HB   ASP  43          HB2       ASP  43  -7.113  -5.346  -0.837
  294   2HB   ASP  43          HB1       ASP  43  -6.414  -3.989   0.100
  295    H    ASP  44           HN       ASP  44  -7.990  -6.439   3.124
  296    HA   ASP  44           HA       ASP  44  -9.286  -8.898   2.239
  297   1HB   ASP  44          HB1       ASP  44  -7.677 -10.088   3.646
  298   2HB   ASP  44          HB2       ASP  44  -6.833  -8.930   2.509
  299    H    GLY  45           HN       GLY  45 -10.171  -6.066   4.055
  300   1HA   GLY  45          HA2       GLY  45 -12.147  -5.883   4.901
  301   2HA   GLY  45          HA1       GLY  45 -12.284  -7.678   5.269
  302    H    TYR  46           HN       TYR  46  -9.923  -5.226   6.545
  303    HA   TYR  46           HA       TYR  46 -11.167  -5.692   9.233
  304   1HB   TYR  46          HB1       TYR  46  -8.933  -6.900   8.875
  305   2HB   TYR  46          HB2       TYR  46  -8.150  -5.298   8.689
  306    HD1  TYR  46           HD1      TYR  46 -10.044  -7.508  11.020
  307    HD2  TYR  46           HD2      TYR  46  -7.633  -4.008  10.664
  308    HE1  TYR  46           HE1      TYR  46  -9.799  -7.420  13.465
  309    HE2  TYR  46           HE2      TYR  46  -7.372  -3.933  13.106
  310    HH   TYR  46           HH       TYR  46  -7.829  -4.982  15.090
  311    H    GLU  47           HN       GLU  47 -12.393  -3.803   9.487
  312    HA   GLU  47           HA       GLU  47 -11.163  -1.277   8.690
  313   1HB   GLU  47          HB1       GLU  47 -13.063  -1.537   7.520
  314   2HB   GLU  47          HB2       GLU  47 -14.031  -2.165   8.791
  315   1HG   GLU  47          HG1       GLU  47 -14.148   0.280   9.706
  316   2HG   GLU  47          HG2       GLU  47 -12.960   0.793   8.432
  317    H    CYS  48           HN       CYS  48 -11.327   0.727   9.524
  318    HA   CYS  48           HA       CYS  48 -11.760   0.966  12.351
  319   1HB   CYS  48          HB2       CYS  48  -9.150   1.551  12.579
  320   2HB   CYS  48          HB1       CYS  48  -9.730  -0.151  12.754
  321    HG   CYS  48           HG       CYS  48  -9.013  -0.979  10.466
  322    H    ASP  49           HN       ASP  49 -10.649   3.269  12.938
  323    HA   ASP  49           HA       ASP  49 -10.386   4.888  10.496
  324   1HB   ASP  49          HB2       ASP  49 -11.169   6.290  13.176
  325   2HB   ASP  49          HB1       ASP  49 -11.201   6.887  11.496
  326    H    VAL  50           HN       VAL  50  -8.308   6.011  10.717
  327    HA   VAL  50           HA       VAL  50  -6.962   5.874  13.279
  328    HB   VAL  50           HB       VAL  50  -4.846   4.914  12.026
  329   1HG1  VAL  50          HG21      VAL  50  -6.313   3.619  13.526
  330   2HG1  VAL  50          HG22      VAL  50  -5.480   2.673  12.213
  331   3HG1  VAL  50          HG23      VAL  50  -7.243   3.050  12.081
  332   1HG2  VAL  50          HG11      VAL  50  -5.695   3.530   9.919
  333   2HG2  VAL  50          HG12      VAL  50  -5.199   5.260   9.723
  334   3HG2  VAL  50          HG13      VAL  50  -6.939   4.843   9.744
  335    H    LEU  51           HN       LEU  51  -4.778   7.026  13.154
  336    HA   LEU  51           HA       LEU  51  -4.899   9.218  11.265
  337   1HB   LEU  51          HB2       LEU  51  -4.477   9.316  13.879
  338   2HB   LEU  51          HB1       LEU  51  -2.829   8.688  13.540
  339    HG   LEU  51           HG       LEU  51  -2.914  11.054  14.018
  340   1HD1  LEU  51          HD21      LEU  51  -2.305  10.893  10.989
  341   2HD1  LEU  51          HD22      LEU  51  -1.187  10.407  12.323
  342   3HD1  LEU  51          HD23      LEU  51  -1.727  12.112  12.162
  343   1HD2  LEU  51          HD11      LEU  51  -4.120  12.731  12.611
  344   2HD2  LEU  51          HD12      LEU  51  -5.245  11.520  13.343
  345   3HD2  LEU  51          HD13      LEU  51  -4.788  11.393  11.609
  346    H    GLY  52           HN       GLY  52  -3.374   9.773   9.818
  347   1HA   GLY  52          HA2       GLY  52  -3.529   7.609   8.258
  348   2HA   GLY  52          HA1       GLY  52  -2.767   9.141   7.776
  349    H    LYS  53           HN       LYS  53  -0.537   9.017   9.732
  350    HA   LYS  53           HA       LYS  53   1.464   8.141   7.989
  351   1HB   LYS  53          HB1       LYS  53   2.954   8.480  10.053
  352   2HB   LYS  53          HB2       LYS  53   1.956   9.853   9.536
  353   1HG   LYS  53          HG1       LYS  53   2.184   9.561  12.021
  354   2HG   LYS  53          HG2       LYS  53   0.513   9.735  11.427
  355   1HD   LYS  53          HD2       LYS  53   0.012   7.395  11.814
  356   2HD   LYS  53          HD1       LYS  53   1.761   6.998  12.039
  357   1HE   LYS  53          HE2       LYS  53   0.428   6.846  14.117
  358   2HE   LYS  53          HE1       LYS  53   1.801   8.032  14.243
  359   1HZ   LYS  53          HZ1       LYS  53   0.220   9.807  13.863
  360   2HZ   LYS  53          HZ2       LYS  53  -0.203   8.877  15.220
  361   3HZ   LYS  53          HZ3       LYS  53  -1.058   8.694  13.764
  362    H    ASP  54           HN       ASP  54  -0.548   6.229   9.576
  363    HA   ASP  54           HA       ASP  54   0.946   3.754   9.860
  364   1HB   ASP  54          HB1       ASP  54  -1.742   4.767  11.072
  365   2HB   ASP  54          HB2       ASP  54  -1.233   3.051  11.167
  366    H    ILE  55           HN       ILE  55  -2.528   4.704   9.083
  367    HA   ILE  55           HA       ILE  55  -2.226   3.101   6.634
  368    HB   ILE  55           HB       ILE  55  -4.747   3.198   8.217
  369   1HG1  ILE  55          HG11      ILE  55  -4.610   0.932   8.646
  370   2HG1  ILE  55          HG12      ILE  55  -3.358   0.624   7.430
  371   1HG2  ILE  55          HG21      ILE  55  -5.085   1.314   6.268
  372   2HG2  ILE  55          HG22      ILE  55  -3.936   2.315   5.396
  373   3HG2  ILE  55          HG23      ILE  55  -5.482   3.057   5.967
  374   1HD1  ILE  55          HD11      ILE  55  -2.695   0.238   9.887
  375   2HD1  ILE  55          HD12      ILE  55  -2.749   2.013  10.128
  376   3HD1  ILE  55          HD13      ILE  55  -1.558   1.253   8.991
  377    H    LEU  56           HN       LEU  56  -1.909   4.380   5.025
  378    HA   LEU  56           HA       LEU  56  -3.647   6.708   4.556
  379   1HB   LEU  56          HB2       LEU  56  -1.874   8.287   3.981
  380   2HB   LEU  56          HB1       LEU  56  -1.889   7.751   5.626
  381    HG   LEU  56           HG       LEU  56  -0.073   6.020   5.000
  382   1HD1  LEU  56          HD21      LEU  56   1.351   6.759   2.842
  383   2HD1  LEU  56          HD22      LEU  56  -0.118   7.598   2.329
  384   3HD1  LEU  56          HD23      LEU  56  -0.078   5.841   2.544
  385   1HD2  LEU  56          HD11      LEU  56   0.161   8.387   6.106
  386   2HD2  LEU  56          HD12      LEU  56   0.809   8.894   4.538
  387   3HD2  LEU  56          HD13      LEU  56   1.628   7.608   5.460
  388    H    LEU  57           HN       LEU  57  -3.581   7.980   2.639
  389    HA   LEU  57           HA       LEU  57  -3.995   6.801   0.289
  390   1HB   LEU  57          HB2       LEU  57  -4.137   9.133  -0.397
  391   2HB   LEU  57          HB1       LEU  57  -4.600   9.068   1.321
  392    HG   LEU  57           HG       LEU  57  -3.557  11.031   1.253
  393   1HD1  LEU  57          HD21      LEU  57  -1.147   9.327   1.972
  394   2HD1  LEU  57          HD22      LEU  57  -2.449   9.890   3.043
  395   3HD1  LEU  57          HD23      LEU  57  -1.329  11.085   2.292
  396   1HD2  LEU  57          HD11      LEU  57  -1.735  11.878  -0.025
  397   2HD2  LEU  57          HD12      LEU  57  -2.906  11.039  -1.112
  398   3HD2  LEU  57          HD13      LEU  57  -1.339  10.268  -0.699
  399    H    CYS  58           HN       CYS  58  -2.834   5.567  -0.834
  400    HA   CYS  58           HA       CYS  58  -0.248   6.393  -1.716
  401   1HB   CYS  58          HB1       CYS  58  -1.024   4.530   0.265
  402   2HB   CYS  58          HB2       CYS  58  -0.920   3.489  -1.148
  403    HG   CYS  58           HG       CYS  58   1.635   4.532  -1.742
  404    H    ASP  59           HN       ASP  59   0.138   4.978  -3.470
  405    HA   ASP  59           HA       ASP  59  -1.942   4.856  -5.581
  406   1HB   ASP  59          HB2       ASP  59   0.544   5.753  -6.207
  407   2HB   ASP  59          HB1       ASP  59   0.904   4.006  -6.339
  408    HA   PRO  60           HA       PRO  60   0.335   3.135  -2.542
  409   1HB   PRO  60          HB2       PRO  60   2.015   0.844  -2.403
  410   2HB   PRO  60          HB1       PRO  60   0.551   1.124  -1.461
  411   1HG   PRO  60          HG2       PRO  60   0.878  -0.345  -4.099
  412   2HG   PRO  60          HG1       PRO  60  -0.113  -0.847  -2.679
  413   1HD   PRO  60          HD1       PRO  60  -1.375   0.246  -4.817
  414   2HD   PRO  60          HD2       PRO  60  -1.797   0.843  -3.160
  415    H    ILE  61           HN       ILE  61   2.579   1.449  -4.762
  416    HA   ILE  61           HA       ILE  61   4.097   3.954  -4.365
  417    HB   ILE  61           HB       ILE  61   4.519   1.086  -3.646
  418   1HG1  ILE  61          HG12      ILE  61   4.147   3.757  -2.424
  419   2HG1  ILE  61          HG11      ILE  61   3.952   2.163  -1.764
  420   1HG2  ILE  61          HG21      ILE  61   6.637   1.669  -5.030
  421   2HG2  ILE  61          HG22      ILE  61   6.889   1.317  -3.291
  422   3HG2  ILE  61          HG23      ILE  61   6.956   3.005  -3.849
  423   1HD1  ILE  61          HD11      ILE  61   6.491   3.914  -1.937
  424   2HD1  ILE  61          HD12      ILE  61   6.578   2.186  -1.395
  425   3HD1  ILE  61          HD13      ILE  61   5.616   3.382  -0.453
  426    HA   PRO  62           HA       PRO  62   5.255   4.979  -8.223
  427   1HB   PRO  62          HB2       PRO  62   8.211   4.106  -7.488
  428   2HB   PRO  62          HB1       PRO  62   7.663   5.682  -8.230
  429   1HG   PRO  62          HG1       PRO  62   8.141   4.881  -5.439
  430   2HG   PRO  62          HG2       PRO  62   7.510   6.467  -5.991
  431   1HD   PRO  62          HD2       PRO  62   6.052   4.643  -4.517
  432   2HD   PRO  62          HD1       PRO  62   5.292   5.770  -5.710
  433    H    LEU  63           HN       LEU  63   4.961   4.102 -10.146
  434    HA   LEU  63           HA       LEU  63   5.128   1.558 -11.023
  435   1HB   LEU  63          HB1       LEU  63   4.560   4.197 -12.448
  436   2HB   LEU  63          HB2       LEU  63   4.165   2.569 -13.101
  437    HG   LEU  63           HG       LEU  63   3.205   2.448 -10.423
  438   1HD1  LEU  63          HD21      LEU  63   1.702   4.301  -9.987
  439   2HD1  LEU  63          HD22      LEU  63   2.147   5.110 -11.540
  440   3HD1  LEU  63          HD23      LEU  63   3.331   4.993 -10.194
  441   1HD2  LEU  63          HD11      LEU  63   1.020   2.265 -11.613
  442   2HD2  LEU  63          HD12      LEU  63   2.412   1.316 -12.291
  443   3HD2  LEU  63          HD13      LEU  63   1.856   2.818 -13.125
  444    H    ASP  64           HN       ASP  64   7.486   2.236 -10.375
  445    HA   ASP  64           HA       ASP  64   9.351   1.142 -12.418
  446   1HB   ASP  64          HB2       ASP  64   9.167   3.672 -10.689
  447   2HB   ASP  64          HB1       ASP  64  10.828   3.200 -11.249
  448    H    THR  65           HN       THR  65   7.966   0.027  -9.730
  449    HA   THR  65           HA       THR  65  10.274   0.445  -7.903
  450    HB   THR  65           HB       THR  65   7.459   0.093  -6.956
  451    HG1  THR  65           HG1      THR  65   7.975   2.132  -7.559
  452   1HG2  THR  65          HG21      THR  65   9.054  -1.018  -5.345
  453   2HG2  THR  65          HG22      THR  65   8.618   0.583  -4.717
  454   3HG2  THR  65          HG23      THR  65  10.203   0.368  -5.528
  455    H    GLU  66           HN       GLU  66  11.491  -0.985  -8.140
  456    HA   GLU  66           HA       GLU  66  10.985  -3.816  -7.675
  457   1HB   GLU  66          HB1       GLU  66  13.121  -2.782  -8.626
  458   2HB   GLU  66          HB2       GLU  66  13.376  -1.949  -7.068
  459   1HG   GLU  66          HG2       GLU  66  14.904  -3.658  -6.935
  460   2HG   GLU  66          HG1       GLU  66  13.547  -4.359  -6.003
  461    H    VAL  67           HN       VAL  67   9.525  -3.970  -6.117
  462    HA   VAL  67           HA       VAL  67   9.740  -3.176  -3.302
  463    HB   VAL  67           HB       VAL  67   7.159  -4.297  -3.630
  464   1HG1  VAL  67          HG11      VAL  67   6.440  -2.030  -3.049
  465   2HG1  VAL  67          HG12      VAL  67   8.093  -1.385  -3.380
  466   3HG1  VAL  67          HG13      VAL  67   7.845  -2.619  -2.076
  467   1HG2  VAL  67          HG21      VAL  67   7.373  -2.266  -5.769
  468   2HG2  VAL  67          HG22      VAL  67   6.019  -3.349  -5.299
  469   3HG2  VAL  67          HG23      VAL  67   7.451  -4.052  -6.143
  470    H    THR  68           HN       THR  68   8.419  -4.885  -1.980
  471    HA   THR  68           HA       THR  68   9.948  -7.375  -2.592
  472    HB   THR  68           HB       THR  68  10.765  -6.307  -0.702
  473    HG1  THR  68           HG1      THR  68  10.333  -7.847   0.842
  474   1HG2  THR  68          HG21      THR  68   9.201  -5.836   1.228
  475   2HG2  THR  68          HG22      THR  68   7.868  -6.505   0.183
  476   3HG2  THR  68          HG23      THR  68   8.651  -4.974  -0.295
  477    H    ALA  69           HN       ALA  69   8.976  -9.339  -2.657
  478    HA   ALA  69           HA       ALA  69   6.043  -9.385  -3.026
  479   1HB   ALA  69          HB1       ALA  69   6.600 -11.236  -4.656
  480   2HB   ALA  69          HB2       ALA  69   8.360 -10.960  -4.256
  481   3HB   ALA  69          HB3       ALA  69   7.408  -9.659  -5.043
  482    H    LEU  70           HN       LEU  70   4.806 -11.040  -1.955
  483    HA   LEU  70           HA       LEU  70   5.912 -11.845   0.468
  484   1HB   LEU  70          HB2       LEU  70   3.473 -11.420  -0.141
  485   2HB   LEU  70          HB1       LEU  70   3.469 -13.188  -0.414
  486    HG   LEU  70           HG       LEU  70   2.712 -12.776   1.797
  487   1HD1  LEU  70          HD21      LEU  70   4.127 -13.832   3.417
  488   2HD1  LEU  70          HD22      LEU  70   5.604 -13.408   2.520
  489   3HD1  LEU  70          HD23      LEU  70   4.459 -14.641   1.840
  490   1HD2  LEU  70          HD11      LEU  70   5.139 -11.010   2.426
  491   2HD2  LEU  70          HD12      LEU  70   3.743 -11.346   3.507
  492   3HD2  LEU  70          HD13      LEU  70   3.494 -10.386   1.993
  493    H    SER  71           HN       SER  71   7.344 -12.885   0.613
  494    HA   SER  71           HA       SER  71   7.769 -15.691   0.434
  495   1HB   SER  71          HB1       SER  71  10.305 -15.133  -0.108
  496   2HB   SER  71          HB2       SER  71   9.126 -15.234  -1.453
  497    HG   SER  71           HG       SER  71   8.916 -12.837  -1.125
  498    H    GLU  72           HN       GLU  72   9.610 -15.909   2.266
  499    HA   GLU  72           HA       GLU  72   8.582 -15.434   4.593
  500   1HB   GLU  72          HB1       GLU  72  11.436 -15.331   5.076
  501   2HB   GLU  72          HB2       GLU  72  10.348 -16.760   5.071
  502   1HG   GLU  72          HG2       GLU  72  11.669 -15.488   2.580
  503   2HG   GLU  72          HG1       GLU  72  12.484 -16.636   3.717
  504    H    ASP  73           HN       ASP  73   9.279 -14.560   6.544
  505    HA   ASP  73           HA       ASP  73   8.432 -12.025   6.771
  506   1HB   ASP  73          HB2       ASP  73   8.363 -13.928   8.460
  507   2HB   ASP  73          HB1       ASP  73   9.998 -13.447   8.996
  508    H    GLU  74           HN       GLU  74  11.927 -12.738   7.375
  509    HA   GLU  74           HA       GLU  74  12.470  -9.827   7.113
  510   1HB   GLU  74          HB2       GLU  74  14.454 -11.866   8.242
  511   2HB   GLU  74          HB1       GLU  74  14.391 -10.081   8.449
  512   1HG   GLU  74          HG2       GLU  74  12.276 -10.430   9.861
  513   2HG   GLU  74          HG1       GLU  74  12.498 -12.215   9.646
  514    H    TYR  75           HN       TYR  75  12.334 -12.644   5.413
  515    HA   TYR  75           HA       TYR  75  14.906 -12.295   4.005
  516   1HB   TYR  75          HB2       TYR  75  13.376 -14.892   4.483
  517   2HB   TYR  75          HB1       TYR  75  15.070 -14.710   3.909
  518    HD1  TYR  75           HD1      TYR  75  12.771 -14.750   6.786
  519    HD2  TYR  75           HD2      TYR  75  16.760 -13.880   5.530
  520    HE1  TYR  75           HE1      TYR  75  13.537 -14.878   9.121
  521    HE2  TYR  75           HE2      TYR  75  17.501 -13.934   7.876
  522    HH   TYR  75           HH       TYR  75  15.358 -14.837  10.527
  523    H    PHE  76           HN       PHE  76  11.775 -11.737   3.374
  524    HA   PHE  76           HA       PHE  76  11.206 -12.736   0.904
  525   1HB   PHE  76          HB2       PHE  76   9.765 -10.511   0.499
  526   2HB   PHE  76          HB1       PHE  76   9.392 -11.832   1.575
  527    HD1  PHE  76           HD1      PHE  76   7.874 -10.791   2.771
  528    HD2  PHE  76           HD2      PHE  76  11.794  -9.121   2.608
  529    HE1  PHE  76           HE1      PHE  76   7.231  -9.200   4.499
  530    HE2  PHE  76           HE2      PHE  76  11.169  -7.542   4.379
  531    HZ   PHE  76           HZ       PHE  76   8.863  -7.539   5.289
  532    H    SER  77           HN       SER  77  10.915 -11.881  -1.226
  533    HA   SER  77           HA       SER  77  13.483 -10.579  -2.130
  534   1HB   SER  77          HB1       SER  77  11.885 -12.841  -3.451
  535   2HB   SER  77          HB2       SER  77  13.385 -12.081  -4.125
  536    HG   SER  77           HG       SER  77  13.337 -13.118  -1.502
  537    H    ALA  78           HN       ALA  78  13.527  -9.318  -4.075
  538    HA   ALA  78           HA       ALA  78  11.048  -7.877  -4.452
  539   1HB   ALA  78          HB1       ALA  78  12.365  -5.923  -5.150
  540   2HB   ALA  78          HB2       ALA  78  13.872  -6.918  -5.105
  541   3HB   ALA  78          HB3       ALA  78  12.920  -6.565  -3.607
  542    H    GLY  79           HN       GLY  79  10.259  -6.840  -6.176
  543   1HA   GLY  79          HA2       GLY  79  10.806  -7.617  -8.875
  544   2HA   GLY  79          HA1       GLY  79   9.180  -8.261  -8.147
  545    H    VAL  80           HN       VAL  80   9.089  -6.454 -10.248
  546    HA   VAL  80           HA       VAL  80   9.090  -3.776  -9.140
  547    HB   VAL  80           HB       VAL  80   9.218  -5.054 -11.872
  548   1HG1  VAL  80          HG11      VAL  80   9.804  -2.736 -12.753
  549   2HG1  VAL  80          HG12      VAL  80   9.463  -2.012 -11.144
  550   3HG1  VAL  80          HG13      VAL  80   8.129  -2.689 -12.133
  551   1HG2  VAL  80          HG21      VAL  80  11.524  -4.067 -11.740
  552   2HG2  VAL  80          HG22      VAL  80  11.211  -5.227 -10.369
  553   3HG2  VAL  80          HG23      VAL  80  11.114  -3.416 -10.116
  554    H    VAL  81           HN       VAL  81   7.138  -2.712  -8.481
  555    HA   VAL  81           HA       VAL  81   4.674  -3.426  -9.876
  556    HB   VAL  81           HB       VAL  81   3.474  -1.758  -8.868
  557   1HG1  VAL  81          HG11      VAL  81   4.748  -3.087  -7.128
  558   2HG1  VAL  81          HG12      VAL  81   4.320  -1.405  -6.579
  559   3HG1  VAL  81          HG13      VAL  81   5.979  -1.722  -7.150
  560   1HG2  VAL  81          HG21      VAL  81   4.306   0.352  -9.696
  561   2HG2  VAL  81          HG22      VAL  81   5.948   0.134  -8.987
  562   3HG2  VAL  81          HG23      VAL  81   4.519   0.427  -7.944
  563    H    LYS  82           HN       LYS  82   3.834  -2.885 -11.828
  564    HA   LYS  82           HA       LYS  82   4.976  -0.655 -13.417
  565   1HB   LYS  82          HB2       LYS  82   4.503  -3.506 -14.469
  566   2HB   LYS  82          HB1       LYS  82   4.806  -2.058 -15.505
  567   1HG   LYS  82          HG2       LYS  82   7.029  -1.741 -14.402
  568   2HG   LYS  82          HG1       LYS  82   6.758  -3.269 -13.487
  569   1HD   LYS  82          HD2       LYS  82   6.555  -4.556 -15.594
  570   2HD   LYS  82          HD1       LYS  82   6.741  -3.048 -16.561
  571   1HE   LYS  82          HE2       LYS  82   9.064  -2.734 -15.660
  572   2HE   LYS  82          HE1       LYS  82   8.886  -4.237 -14.667
  573   1HZ   LYS  82          HZ1       LYS  82   8.747  -4.068 -17.633
  574   2HZ   LYS  82          HZ2       LYS  82   8.576  -5.477 -16.699
  575   3HZ   LYS  82          HZ3       LYS  82  10.053  -4.639 -16.709
  576    H    GLY  83           HN       GLY  83   2.152  -3.096 -13.244
  577   1HA   GLY  83          HA2       GLY  83   0.443  -0.790 -14.073
  578   2HA   GLY  83          HA1       GLY  83   0.379  -2.424 -14.834
  579    H    HIS  84           HN       HIS  84  -1.367  -0.522 -12.732
  580    HA   HIS  84           HA       HIS  84  -2.419  -2.896 -11.437
  581   1HB   HIS  84          HB1       HIS  84  -2.437  -1.425  -9.174
  582   2HB   HIS  84          HB2       HIS  84  -1.117  -2.513  -9.679
  583    HD1  HIS  84           HD1      HIS  84  -1.572   1.305  -9.727
  584    HD2  HIS  84           HD2      HIS  84   1.238  -1.781  -9.383
  585    HE1  HIS  84           HE1      HIS  84   0.704   2.362  -9.264
  586    H    ARG  85           HN       ARG  85  -4.442  -2.696 -10.278
  587    HA   ARG  85           HA       ARG  85  -6.030  -0.384 -11.183
  588   1HB   ARG  85          HB2       ARG  85  -7.530  -1.855 -12.486
  589   2HB   ARG  85          HB1       ARG  85  -5.872  -2.154 -13.083
  590   1HG   ARG  85          HG1       ARG  85  -6.171  -4.387 -12.684
  591   2HG   ARG  85          HG2       ARG  85  -6.165  -4.016 -10.918
  592   1HD   ARG  85          HD2       ARG  85  -8.186  -5.262 -11.347
  593   2HD   ARG  85          HD1       ARG  85  -8.712  -3.569 -11.087
  594    HE   ARG  85           HE       ARG  85  -8.465  -5.011 -13.764
  595   1HH1  ARG  85          HH11      ARG  85  -9.917  -2.337 -11.872
  596   2HH1  ARG  85          HH12      ARG  85 -11.053  -1.920 -13.113
  597   1HH2  ARG  85          HH21      ARG  85  -9.994  -4.433 -15.388
  598   2HH2  ARG  85          HH22      ARG  85 -11.098  -3.122 -15.129
  599    H    LYS  86           HN       LYS  86  -8.263  -0.502 -10.148
  600    HA   LYS  86           HA       LYS  86  -8.587  -2.803  -8.354
  601   1HB   LYS  86          HB2       LYS  86  -7.443  -1.299  -7.025
  602   2HB   LYS  86          HB1       LYS  86  -8.425   0.129  -7.503
  603   1HG   LYS  86          HG2       LYS  86 -10.431  -0.821  -6.306
  604   2HG   LYS  86          HG1       LYS  86  -9.476  -2.288  -5.868
  605   1HD   LYS  86          HD2       LYS  86  -7.825  -0.758  -4.659
  606   2HD   LYS  86          HD1       LYS  86  -8.892   0.639  -5.000
  607   1HE   LYS  86          HE2       LYS  86  -9.649  -1.866  -3.335
  608   2HE   LYS  86          HE1       LYS  86  -9.240  -0.218  -2.702
  609   1HZ   LYS  86          HZ1       LYS  86 -11.596  -0.593  -2.790
  610   2HZ   LYS  86          HZ2       LYS  86 -11.536  -0.892  -4.461
  611   3HZ   LYS  86          HZ3       LYS  86 -11.151   0.649  -3.862
  612    H    GLU  87           HN       GLU  87 -10.513  -3.656  -8.637
  613    HA   GLU  87           HA       GLU  87 -12.584  -2.233 -10.165
  614   1HB   GLU  87          HB2       GLU  87 -11.407  -4.428 -10.999
  615   2HB   GLU  87          HB1       GLU  87 -12.118  -5.236  -9.612
  616   1HG   GLU  87          HG2       GLU  87 -14.445  -4.681 -10.498
  617   2HG   GLU  87          HG1       GLU  87 -13.684  -3.806 -11.880
  618    H    SER  88           HN       SER  88 -14.864  -2.699  -9.300
  619    HA   SER  88           HA       SER  88 -15.131  -2.262  -6.569
  620   1HB   SER  88          HB2       SER  88 -17.262  -3.148  -8.585
  621   2HB   SER  88          HB1       SER  88 -17.541  -2.290  -7.013
  622    HG   SER  88           HG       SER  88 -17.475  -0.842  -8.797
  623    H    GLY  89           HN       GLY  89 -13.797  -4.226  -5.948
  624   1HA   GLY  89          HA2       GLY  89 -14.246  -5.832  -4.216
  625   2HA   GLY  89          HA1       GLY  89 -15.492  -6.587  -5.268
  626    H    GLU  90           HN       GLU  90 -12.460  -5.572  -6.969
  627    HA   GLU  90           HA       GLU  90 -11.235  -8.136  -6.530
  628   1HB   GLU  90          HB2       GLU  90 -12.760  -8.536  -8.451
  629   2HB   GLU  90          HB1       GLU  90 -12.123  -7.089  -9.304
  630   1HG   GLU  90          HG2       GLU  90  -9.951  -8.023  -9.526
  631   2HG   GLU  90          HG1       GLU  90 -10.317  -9.409  -8.423
  632    H    LEU  91           HN       LEU  91  -8.874  -7.791  -6.611
  633    HA   LEU  91           HA       LEU  91  -8.088  -5.004  -7.262
  634   1HB   LEU  91          HB2       LEU  91  -8.468  -5.924  -4.715
  635   2HB   LEU  91          HB1       LEU  91  -6.852  -6.630  -4.962
  636    HG   LEU  91           HG       LEU  91  -7.739  -3.679  -5.014
  637   1HD1  LEU  91          HD11      LEU  91  -7.462  -4.748  -2.820
  638   2HD1  LEU  91          HD12      LEU  91  -6.120  -3.574  -3.066
  639   3HD1  LEU  91          HD13      LEU  91  -5.815  -5.335  -3.258
  640   1HD2  LEU  91          HD21      LEU  91  -4.978  -4.769  -5.833
  641   2HD2  LEU  91          HD22      LEU  91  -5.316  -3.058  -5.352
  642   3HD2  LEU  91          HD23      LEU  91  -6.100  -3.736  -6.799
  643    H    TYR  92           HN       TYR  92  -6.175  -4.952  -8.711
  644    HA   TYR  92           HA       TYR  92  -4.370  -7.132  -8.088
  645   1HB   TYR  92          HB1       TYR  92  -4.052  -7.971 -10.525
  646   2HB   TYR  92          HB2       TYR  92  -5.291  -8.627  -9.467
  647    HD1  TYR  92           HD1      TYR  92  -4.721  -7.023 -12.646
  648    HD2  TYR  92           HD2      TYR  92  -7.707  -8.111  -9.826
  649    HE1  TYR  92           HE1      TYR  92  -6.338  -7.055 -14.422
  650    HE2  TYR  92           HE2      TYR  92  -9.391  -7.999 -11.620
  651    HH   TYR  92           HH       TYR  92  -8.489  -7.464 -14.991
  652    H    TYR  93           HN       TYR  93  -2.448  -6.788  -8.001
  653    HA   TYR  93           HA       TYR  93  -1.363  -4.342  -9.175
  654   1HB   TYR  93          HB2       TYR  93  -1.292  -5.506  -6.462
  655   2HB   TYR  93          HB1       TYR  93   0.335  -5.698  -7.065
  656    HD1  TYR  93           HD1      TYR  93   1.777  -3.926  -6.219
  657    HD2  TYR  93           HD2      TYR  93  -2.315  -3.052  -7.321
  658    HE1  TYR  93           HE1      TYR  93   2.231  -1.628  -6.033
  659    HE2  TYR  93           HE2      TYR  93  -1.786  -0.663  -7.023
  660    HH   TYR  93           HH       TYR  93   0.975   0.379  -7.578
  661    H    SER  94           HN       SER  94   0.040  -4.755 -11.026
  662    HA   SER  94           HA       SER  94   1.033  -7.505 -11.273
  663   1HB   SER  94          HB2       SER  94   1.828  -7.160 -13.510
  664   2HB   SER  94          HB1       SER  94   0.090  -6.959 -13.342
  665    HG   SER  94           HG       SER  94   0.536  -4.630 -13.218
  666    H    ILE  95           HN       ILE  95   2.609  -7.974 -10.355
  667    HA   ILE  95           HA       ILE  95   4.869  -6.156  -9.747
  668    HB   ILE  95           HB       ILE  95   4.411  -8.999  -8.698
  669   1HG1  ILE  95          HG12      ILE  95   2.251  -7.930  -8.282
  670   2HG1  ILE  95          HG11      ILE  95   3.187  -8.176  -6.813
  671   1HG2  ILE  95          HG21      ILE  95   5.538  -7.966  -6.658
  672   2HG2  ILE  95          HG22      ILE  95   5.793  -6.452  -7.569
  673   3HG2  ILE  95          HG23      ILE  95   6.600  -7.977  -8.126
  674   1HD1  ILE  95          HD11      ILE  95   2.244  -6.019  -6.536
  675   2HD1  ILE  95          HD12      ILE  95   2.597  -5.501  -8.224
  676   3HD1  ILE  95          HD13      ILE  95   3.916  -5.629  -7.016
  677    H    GLU  96           HN       GLU  96   6.511  -6.240 -11.355
  678    HA   GLU  96           HA       GLU  96   6.557  -8.664 -13.031
  679   1HB   GLU  96          HB1       GLU  96   6.602  -6.559 -14.205
  680   2HB   GLU  96          HB2       GLU  96   8.179  -6.136 -13.474
  681   1HG   GLU  96          HG2       GLU  96   7.776  -8.801 -14.998
  682   2HG   GLU  96          HG1       GLU  96   7.967  -7.292 -15.914
  683    H    LYS  97           HN       LYS  97   7.507 -10.342 -12.596
  684    HA   LYS  97           HA       LYS  97   9.851 -10.206 -10.704
  685   1HB   LYS  97          HB1       LYS  97   7.588 -10.266  -9.501
  686   2HB   LYS  97          HB2       LYS  97   7.146 -11.614 -10.622
  687   1HG   LYS  97          HG2       LYS  97   7.504 -12.480  -8.361
  688   2HG   LYS  97          HG1       LYS  97   8.732 -13.148  -9.443
  689   1HD   LYS  97          HD2       LYS  97  10.310 -11.226  -8.575
  690   2HD   LYS  97          HD1       LYS  97   9.090 -11.014  -7.263
  691   1HE   LYS  97          HE2       LYS  97   9.345 -13.447  -6.658
  692   2HE   LYS  97          HE1       LYS  97  10.532 -13.648  -8.011
  693   1HZ   LYS  97          HZ1       LYS  97  11.957 -12.045  -6.926
  694   2HZ   LYS  97          HZ2       LYS  97  11.603 -13.338  -5.882
  695   3HZ   LYS  97          HZ3       LYS  97  10.839 -11.836  -5.664
  696    H    GLU  98           HN       GLU  98  11.382 -11.772 -11.158
  697    HA   GLU  98           HA       GLU  98  12.436 -13.532 -11.904
  698   1HB   GLU  98          HB1       GLU  98  10.872 -14.690 -10.416
  699   2HB   GLU  98          HB2       GLU  98   9.651 -14.861 -11.750
  700   1HG   GLU  98          HG2       GLU  98  10.865 -16.922 -11.116
  701   2HG   GLU  98          HG1       GLU  98  11.188 -16.518 -12.845
  702    H    GLY  99           HN       GLY  99  10.554 -11.865 -13.761
  703   1HA   GLY  99          HA2       GLY  99  11.387 -11.323 -15.998
  704   2HA   GLY  99          HA1       GLY  99  11.415 -13.084 -16.371
  705    H    GLN 100           HN       GLN 100   8.738 -12.669 -14.478
  706    HA   GLN 100           HA       GLN 100   6.959 -11.900 -16.647
  707   1HB   GLN 100          HB2       GLN 100   5.481 -13.950 -16.171
  708   2HB   GLN 100          HB1       GLN 100   7.059 -14.269 -16.942
  709   1HG   GLN 100          HG2       GLN 100   6.806 -16.021 -15.440
  710   2HG   GLN 100          HG1       GLN 100   8.009 -14.966 -14.648
  711   1HE2  GLN 100          HE21      GLN 100   7.356 -13.833 -12.655
  712   2HE2  GLN 100          HE22      GLN 100   5.787 -14.223 -11.913
  713    H    ARG 101           HN       ARG 101   4.554 -11.819 -15.921
  714    HA   ARG 101           HA       ARG 101   4.714  -9.966 -13.677
  715   1HB   ARG 101          HB2       ARG 101   2.472 -10.216 -15.778
  716   2HB   ARG 101          HB1       ARG 101   2.695  -8.937 -14.531
  717   1HG   ARG 101          HG1       ARG 101   3.369  -7.857 -16.419
  718   2HG   ARG 101          HG2       ARG 101   4.932  -8.371 -15.706
  719   1HD   ARG 101          HD1       ARG 101   4.938 -10.344 -17.406
  720   2HD   ARG 101          HD2       ARG 101   3.410  -9.673 -18.078
  721    HE   ARG 101           HE       ARG 101   4.567  -7.720 -18.875
  722   1HH1  ARG 101          HH11      ARG 101   6.837 -10.048 -17.372
  723   2HH1  ARG 101          HH12      ARG 101   8.245  -9.290 -18.036
  724   1HH2  ARG 101          HH21      ARG 101   6.472  -6.728 -19.738
  725   2HH2  ARG 101          HH22      ARG 101   8.036  -7.386 -19.392
  726    H    LYS 102           HN       LYS 102   3.946 -10.303 -11.778
  727    HA   LYS 102           HA       LYS 102   1.953 -12.555 -11.477
  728   1HB   LYS 102          HB1       LYS 102   4.116 -11.414  -9.688
  729   2HB   LYS 102          HB2       LYS 102   2.685 -12.166  -8.917
  730   1HG   LYS 102          HG2       LYS 102   3.079 -14.292  -9.817
  731   2HG   LYS 102          HG1       LYS 102   4.020 -13.685 -11.211
  732   1HD   LYS 102          HD1       LYS 102   6.026 -13.409  -9.942
  733   2HD   LYS 102          HD2       LYS 102   5.133 -13.472  -8.365
  734   1HE   LYS 102          HE1       LYS 102   4.652 -15.903  -8.737
  735   2HE   LYS 102          HE2       LYS 102   5.496 -15.833 -10.339
  736   1HZ   LYS 102          HZ1       LYS 102   7.510 -15.212  -9.191
  737   2HZ   LYS 102          HZ2       LYS 102   6.903 -16.688  -8.609
  738   3HZ   LYS 102          HZ3       LYS 102   6.720 -15.272  -7.688
  739    H    TRP 103           HN       TRP 103  -0.119 -11.852 -11.451
  740    HA   TRP 103           HA       TRP 103  -0.644  -9.097 -10.602
  741   1HB   TRP 103          HB2       TRP 103  -2.330 -11.231 -12.115
  742   2HB   TRP 103          HB1       TRP 103  -3.058  -9.721 -11.491
  743    HD1  TRP 103           HD1      TRP 103  -1.452 -10.960 -14.657
  744    HE1  TRP 103           HE1      TRP 103  -1.470  -8.967 -16.317
  745    HE3  TRP 103           HE3      TRP 103  -2.313  -7.199 -11.384
  746    HZ2  TRP 103           HZ2      TRP 103  -2.035  -6.221 -16.237
  747    HZ3  TRP 103           HZ3      TRP 103  -2.688  -4.927 -12.222
  748    HH2  TRP 103           HH2      TRP 103  -2.530  -4.431 -14.620
  749    H    TYR 104           HN       TYR 104  -0.882  -9.018  -8.468
  750    HA   TYR 104           HA       TYR 104  -2.379 -11.130  -6.876
  751   1HB   TYR 104          HB2       TYR 104  -0.151  -9.326  -5.882
  752   2HB   TYR 104          HB1       TYR 104  -1.006 -10.670  -5.049
  753    HD1  TYR 104           HD1      TYR 104  -0.938 -12.905  -6.942
  754    HD2  TYR 104           HD2      TYR 104   2.035 -10.015  -5.911
  755    HE1  TYR 104           HE1      TYR 104   0.779 -14.622  -7.108
  756    HE2  TYR 104           HE2      TYR 104   3.752 -11.753  -6.049
  757    HH   TYR 104           HH       TYR 104   3.040 -15.076  -6.978
  758    H    LYS 105           HN       LYS 105  -4.122 -10.280  -5.490
  759    HA   LYS 105           HA       LYS 105  -4.510  -7.490  -5.415
  760   1HB   LYS 105          HB1       LYS 105  -6.029  -8.026  -3.489
  761   2HB   LYS 105          HB2       LYS 105  -6.453  -8.902  -4.990
  762   1HG   LYS 105          HG2       LYS 105  -5.711 -11.013  -4.119
  763   2HG   LYS 105          HG1       LYS 105  -4.853 -10.254  -2.731
  764   1HD   LYS 105          HD1       LYS 105  -6.969  -9.451  -1.775
  765   2HD   LYS 105          HD2       LYS 105  -7.889 -10.094  -3.184
  766   1HE   LYS 105          HE2       LYS 105  -7.252 -12.434  -2.569
  767   2HE   LYS 105          HE1       LYS 105  -6.225 -11.818  -1.212
  768   1HZ   LYS 105          HZ1       LYS 105  -8.203 -10.878  -0.218
  769   2HZ   LYS 105          HZ2       LYS 105  -8.351 -12.555  -0.446
  770   3HZ   LYS 105          HZ3       LYS 105  -9.166 -11.483  -1.482
  771    H    ARG 106           HN       ARG 106  -3.695  -6.096  -4.096
  772    HA   ARG 106           HA       ARG 106  -1.281  -5.825  -3.679
  773   1HB   ARG 106          HB2       ARG 106  -3.471  -4.711  -1.879
  774   2HB   ARG 106          HB1       ARG 106  -1.789  -3.998  -1.960
  775   1HG   ARG 106          HG1       ARG 106  -1.995  -3.843  -4.480
  776   2HG   ARG 106          HG2       ARG 106  -3.758  -3.988  -4.256
  777   1HD   ARG 106          HD2       ARG 106  -1.952  -1.917  -2.846
  778   2HD   ARG 106          HD1       ARG 106  -2.790  -1.608  -4.411
  779    HE   ARG 106           HE       ARG 106  -4.104  -2.114  -1.703
  780   1HH1  ARG 106          HH11      ARG 106  -4.329  -0.794  -5.021
  781   2HH1  ARG 106          HH12      ARG 106  -5.822   0.033  -4.724
  782   1HH2  ARG 106          HH21      ARG 106  -6.098  -0.990  -1.334
  783   2HH2  ARG 106          HH22      ARG 106  -6.840  -0.083  -2.611
  784    H    MET 107           HN       MET 107  -2.812  -7.683  -1.198
  785    HA   MET 107           HA       MET 107  -0.857  -7.428   0.845
  786   1HB   MET 107          HB1       MET 107  -2.022  -9.269   1.961
  787   2HB   MET 107          HB2       MET 107  -3.181  -8.042   1.360
  788   1HG   MET 107          HG2       MET 107  -3.359  -9.643  -0.778
  789   2HG   MET 107          HG1       MET 107  -2.574 -10.867   0.268
  790   1HE   MET 107          HE1       MET 107  -3.454 -11.684   2.500
  791   2HE   MET 107          HE2       MET 107  -5.075 -11.341   3.184
  792   3HE   MET 107          HE3       MET 107  -3.829 -10.059   3.196
  793    H    ALA 108           HN       ALA 108  -0.589  -9.272  -2.234
  794    HA   ALA 108           HA       ALA 108   1.529 -10.853  -0.991
  795   1HB   ALA 108          HB1       ALA 108   0.627 -10.981  -3.913
  796   2HB   ALA 108          HB2       ALA 108  -0.098 -12.027  -2.643
  797   3HB   ALA 108          HB3       ALA 108   1.644 -12.167  -3.101
  798    H    VAL 109           HN       VAL 109   1.517  -7.924  -1.591
  799    HA   VAL 109           HA       VAL 109   4.279  -7.862  -2.041
  800    HB   VAL 109           HB       VAL 109   4.395  -5.662  -3.058
  801   1HG1  VAL 109          HG11      VAL 109   3.174  -7.813  -4.826
  802   2HG1  VAL 109          HG12      VAL 109   4.843  -7.872  -4.159
  803   3HG1  VAL 109          HG13      VAL 109   4.401  -6.531  -5.238
  804   1HG2  VAL 109          HG21      VAL 109   2.507  -4.788  -4.366
  805   2HG2  VAL 109          HG22      VAL 109   1.974  -4.941  -2.657
  806   3HG2  VAL 109          HG23      VAL 109   1.450  -6.171  -3.866
  807    H    ILE 110           HN       ILE 110   5.148  -6.530  -1.124
  808    HA   ILE 110           HA       ILE 110   4.057  -5.056   1.228
  809    HB   ILE 110           HB       ILE 110   6.711  -6.229   1.851
  810   1HG1  ILE 110          HG11      ILE 110   5.480  -8.368   2.798
  811   2HG1  ILE 110          HG12      ILE 110   4.293  -8.127   1.506
  812   1HG2  ILE 110          HG21      ILE 110   4.100  -5.993   3.413
  813   2HG2  ILE 110          HG22      ILE 110   5.584  -4.966   3.527
  814   3HG2  ILE 110          HG23      ILE 110   5.630  -6.672   4.060
  815   1HD1  ILE 110          HD11      ILE 110   6.093  -8.407  -0.203
  816   2HD1  ILE 110          HD12      ILE 110   6.174  -9.771   0.963
  817   3HD1  ILE 110          HD13      ILE 110   7.361  -8.434   1.079
  818    H    LEU 111           HN       LEU 111   5.676  -3.424   2.028
  819    HA   LEU 111           HA       LEU 111   7.932  -2.809   0.254
  820   1HB   LEU 111          HB2       LEU 111   7.150  -0.242   0.424
  821   2HB   LEU 111          HB1       LEU 111   6.615  -1.300  -0.892
  822    HG   LEU 111           HG       LEU 111   4.436  -1.651   0.025
  823   1HD1  LEU 111          HD11      LEU 111   4.901  -1.777   2.482
  824   2HD1  LEU 111          HD12      LEU 111   3.740  -0.428   2.171
  825   3HD1  LEU 111          HD13      LEU 111   5.502  -0.098   2.442
  826   1HD2  LEU 111          HD21      LEU 111   5.189   0.502  -1.036
  827   2HD2  LEU 111          HD22      LEU 111   5.077   1.322   0.624
  828   3HD2  LEU 111          HD23      LEU 111   3.602   0.617  -0.151
  829    H    SER 112           HN       SER 112   9.520  -1.415   1.268
  830    HA   SER 112           HA       SER 112   9.332  -1.537   4.222
  831   1HB   SER 112          HB2       SER 112  11.736  -1.420   4.347
  832   2HB   SER 112          HB1       SER 112  11.173  -2.804   3.361
  833    HG   SER 112           HG       SER 112  11.795  -1.662   1.480
  834    H    LEU 113           HN       LEU 113  10.338   0.465   5.455
  835    HA   LEU 113           HA       LEU 113   8.944   2.860   4.826
  836   1HB   LEU 113          HB2       LEU 113  11.548   3.086   6.363
  837   2HB   LEU 113          HB1       LEU 113  10.163   4.213   6.236
  838    HG   LEU 113           HG       LEU 113   9.694   1.399   7.317
  839   1HD1  LEU 113          HD21      LEU 113  11.209   3.619   8.823
  840   2HD1  LEU 113          HD22      LEU 113  11.903   2.077   8.255
  841   3HD1  LEU 113          HD23      LEU 113  10.621   2.026   9.550
  842   1HD2  LEU 113          HD11      LEU 113   7.775   3.031   7.299
  843   2HD2  LEU 113          HD12      LEU 113   8.697   4.087   8.428
  844   3HD2  LEU 113          HD13      LEU 113   8.219   2.425   8.943
  845    H    GLU 114           HN       GLU 114  12.441   2.388   4.153
  846    HA   GLU 114           HA       GLU 114  12.393   4.958   2.896
  847   1HB   GLU 114          HB2       GLU 114  14.597   3.538   3.735
  848   2HB   GLU 114          HB1       GLU 114  14.864   3.943   2.005
  849   1HG   GLU 114          HG1       GLU 114  14.000   6.350   2.503
  850   2HG   GLU 114          HG2       GLU 114  13.894   5.790   4.266
  851    H    GLN 115           HN       GLN 115  11.446   2.097   1.423
  852    HA   GLN 115           HA       GLN 115  11.400   3.223  -1.270
  853   1HB   GLN 115          HB2       GLN 115   9.980   0.788  -0.050
  854   2HB   GLN 115          HB1       GLN 115  10.040   1.235  -1.839
  855   1HG   GLN 115          HG1       GLN 115  12.564   0.948  -1.757
  856   2HG   GLN 115          HG2       GLN 115  12.438   0.455  -0.026
  857   1HE2  GLN 115          HE21      GLN 115  11.039  -0.398  -3.337
  858   2HE2  GLN 115          HE22      GLN 115  11.376  -2.077  -3.050
  859    H    GLY 116           HN       GLY 116   9.700   3.531   1.561
  860   1HA   GLY 116          HA2       GLY 116   7.079   4.447   0.666
  861   2HA   GLY 116          HA1       GLY 116   7.705   4.171   2.301
  862    H    ASN 117           HN       ASN 117  10.028   5.535   2.427
  863    HA   ASN 117           HA       ASN 117   9.238   8.183   2.968
  864   1HB   ASN 117          HB2       ASN 117  12.102   7.125   3.125
  865   2HB   ASN 117          HB1       ASN 117  11.483   8.649   3.872
  866   1HD2  ASN 117          HD21      ASN 117   8.888   7.492   4.641
  867   2HD2  ASN 117          HD22      ASN 117   9.271   6.544   6.075
  868    H    ARG 118           HN       ARG 118  10.891   6.865   0.257
  869    HA   ARG 118           HA       ARG 118  12.092   9.097  -0.715
  870   1HB   ARG 118          HB2       ARG 118  11.934   7.919  -2.987
  871   2HB   ARG 118          HB1       ARG 118  12.619   6.957  -1.651
  872   1HG   ARG 118          HG2       ARG 118  10.665   5.608  -1.411
  873   2HG   ARG 118          HG1       ARG 118   9.601   6.679  -2.301
  874   1HD   ARG 118          HD1       ARG 118   9.963   4.931  -3.773
  875   2HD   ARG 118          HD2       ARG 118  10.947   6.330  -4.408
  876    HE   ARG 118           HE       ARG 118  12.848   5.067  -2.930
  877   1HH1  ARG 118          HH11      ARG 118  10.456   3.593  -5.149
  878   2HH1  ARG 118          HH12      ARG 118  11.459   2.231  -5.530
  879   1HH2  ARG 118          HH21      ARG 118  14.167   3.232  -3.459
  880   2HH2  ARG 118          HH22      ARG 118  13.589   2.025  -4.559
  881    H    LEU 119           HN       LEU 119   8.912   7.829  -0.855
  882    HA   LEU 119           HA       LEU 119   7.291   9.483  -2.603
  883   1HB   LEU 119          HB1       LEU 119   6.927   7.057  -2.729
  884   2HB   LEU 119          HB2       LEU 119   6.840   6.868  -1.010
  885    HG   LEU 119           HG       LEU 119   4.898   8.648  -2.543
  886   1HD1  LEU 119          HD11      LEU 119   4.944   6.280  -3.607
  887   2HD1  LEU 119          HD12      LEU 119   3.363   6.601  -2.788
  888   3HD1  LEU 119          HD13      LEU 119   4.605   5.604  -1.964
  889   1HD2  LEU 119          HD21      LEU 119   4.350   8.775  -0.224
  890   2HD2  LEU 119          HD22      LEU 119   4.864   7.052   0.080
  891   3HD2  LEU 119          HD23      LEU 119   3.293   7.437  -0.751
  892    H    ARG 120           HN       ARG 120   7.544   8.745   0.917
  893    HA   ARG 120           HA       ARG 120   5.293   9.566   1.662
  894   1HB   ARG 120          HB1       ARG 120   6.301   9.860   4.032
  895   2HB   ARG 120          HB2       ARG 120   7.291   8.611   3.231
  896   1HG   ARG 120          HG1       ARG 120   8.994   9.916   4.030
  897   2HG   ARG 120          HG2       ARG 120   8.685  10.951   2.602
  898   1HD   ARG 120          HD2       ARG 120   7.154  12.372   4.169
  899   2HD   ARG 120          HD1       ARG 120   7.730  11.323   5.533
  900    HE   ARG 120           HE       ARG 120  10.081  12.144   4.226
  901   1HH1  ARG 120          HH11      ARG 120   7.323  13.858   5.726
  902   2HH1  ARG 120          HH12      ARG 120   8.248  15.269   6.122
  903   1HH2  ARG 120          HH21      ARG 120  11.299  14.048   4.764
  904   2HH2  ARG 120          HH22      ARG 120  10.534  15.378   5.569
  905    H    GLU 121           HN       GLU 121   7.501  11.940   0.768
  906    HA   GLU 121           HA       GLU 121   6.147  14.280   1.802
  907   1HB   GLU 121          HB2       GLU 121   8.149  15.412   0.701
  908   2HB   GLU 121          HB1       GLU 121   8.534  14.201   1.961
  909   1HG   GLU 121          HG1       GLU 121   9.104  12.464   0.176
  910   2HG   GLU 121          HG2       GLU 121   8.727  13.700  -1.081
  911    H    GLN 122           HN       GLN 122   6.368  12.470  -1.267
  912    HA   GLN 122           HA       GLN 122   5.064  14.584  -2.797
  913   1HB   GLN 122          HB2       GLN 122   5.787  13.294  -4.822
  914   2HB   GLN 122          HB1       GLN 122   7.101  13.991  -3.823
  915   1HG   GLN 122          HG1       GLN 122   7.616  11.810  -2.838
  916   2HG   GLN 122          HG2       GLN 122   6.298  10.972  -3.741
  917   1HE2  GLN 122          HE21      GLN 122   9.486  10.935  -3.664
  918   2HE2  GLN 122          HE22      GLN 122   9.877  10.944  -5.385
  919    H    TYR 123           HN       TYR 123   4.535  11.032  -1.871
  920    HA   TYR 123           HA       TYR 123   1.796  11.535  -3.083
  921   1HB   TYR 123          HB1       TYR 123   2.925   8.744  -3.376
  922   2HB   TYR 123          HB2       TYR 123   1.582   9.518  -4.257
  923    HD1  TYR 123           HD1      TYR 123   4.699   8.316  -4.512
  924    HD2  TYR 123           HD2      TYR 123   2.516  11.768  -5.669
  925    HE1  TYR 123           HE1      TYR 123   6.309   8.676  -6.086
  926    HE2  TYR 123           HE2      TYR 123   4.116  12.116  -7.497
  927    HH   TYR 123           HH       TYR 123   6.958  11.207  -7.481
  928    H    GLY 124           HN       GLY 124   2.844  10.751   0.319
  929   1HA   GLY 124          HA2       GLY 124   0.393  10.106   0.754
  930   2HA   GLY 124          HA1       GLY 124   0.984   8.498   0.242
  931    H    LEU 125           HN       LEU 125   3.375   8.172   1.337
  932    HA   LEU 125           HA       LEU 125   2.774   7.594   3.810
  933   1HB   LEU 125          HB2       LEU 125   5.030   6.758   2.248
  934   2HB   LEU 125          HB1       LEU 125   5.481   6.817   3.988
  935    HG   LEU 125           HG       LEU 125   4.768   4.745   3.721
  936   1HD1  LEU 125          HD11      LEU 125   1.984   5.846   4.491
  937   2HD1  LEU 125          HD12      LEU 125   3.347   5.685   5.561
  938   3HD1  LEU 125          HD13      LEU 125   2.634   4.228   4.768
  939   1HD2  LEU 125          HD21      LEU 125   4.261   5.115   1.279
  940   2HD2  LEU 125          HD22      LEU 125   2.570   5.531   1.738
  941   3HD2  LEU 125          HD23      LEU 125   3.249   3.887   2.054
  942    H    GLY 126           HN       GLY 126   2.774  10.461   3.707
  943   1HA   GLY 126          HA2       GLY 126   2.431  10.441   6.483
  944   2HA   GLY 126          HA1       GLY 126   3.990  11.293   6.199
  945    HA   PRO 127           HA       PRO 127   0.852  14.500   4.795
  946   1HB   PRO 127          HB2       PRO 127  -1.767  14.517   5.549
  947   2HB   PRO 127          HB1       PRO 127  -1.209  13.367   4.276
  948   1HG   PRO 127          HG2       PRO 127  -1.595  12.800   7.267
  949   2HG   PRO 127          HG1       PRO 127  -2.313  11.913   5.901
  950   1HD   PRO 127          HD1       PRO 127   0.153  11.123   7.090
  951   2HD   PRO 127          HD2       PRO 127  -0.182  10.864   5.319
  952    H    TYR 128           HN       TYR 128   0.736  13.139   7.989
  953    HA   TYR 128           HA       TYR 128   0.880  15.716   9.392
  954   1HB   TYR 128          HB2       TYR 128  -1.261  14.189   9.608
  955   2HB   TYR 128          HB1       TYR 128  -0.245  13.081  10.584
  956    HD1  TYR 128           HD1      TYR 128   0.148  13.654  12.874
  957    HD2  TYR 128           HD2      TYR 128  -1.523  16.586  10.267
  958    HE1  TYR 128           HE1      TYR 128  -0.372  15.065  14.805
  959    HE2  TYR 128           HE2      TYR 128  -2.042  18.006  12.210
  960    HH   TYR 128           HH       TYR 128  -1.419  16.943  15.522
  961    H    GLU 129           HN       GLU 129   2.227  15.668  11.361
  962    HA   GLU 129           HA       GLU 129   4.573  13.904  11.124
  963   1HB   GLU 129          HB2       GLU 129   5.772  15.682  12.363
  964   2HB   GLU 129          HB1       GLU 129   5.024  16.275  10.851
  965   1HG   GLU 129          HG1       GLU 129   3.112  17.270  12.141
  966   2HG   GLU 129          HG2       GLU 129   3.859  16.713  13.684
  Start of MODEL    2
    1    H    ASN   7           HN       ASN   7 -17.857   9.952  -3.459
    2    HA   ASN   7           HA       ASN   7 -15.998   8.410  -3.983
    3   1HB   ASN   7          HB2       ASN   7 -17.107  10.072  -6.357
    4   2HB   ASN   7          HB1       ASN   7 -16.330   8.441  -6.515
    5   1HD2  ASN   7          HD21      ASN   7 -18.928   8.954  -7.421
    6   2HD2  ASN   7          HD22      ASN   7 -20.033   7.978  -6.406
    7    H    SER   8           HN       SER   8 -15.254  11.466  -3.533
    8    HA   SER   8           HA       SER   8 -13.038  11.905  -5.366
    9   1HB   SER   8          HB2       SER   8 -13.923  13.586  -2.958
   10   2HB   SER   8          HB1       SER   8 -12.649  14.048  -4.146
   11    HG   SER   8           HG       SER   8 -15.328  13.408  -4.860
   12    H    PHE   9           HN       PHE   9 -12.012   9.876  -4.743
   13    HA   PHE   9           HA       PHE   9 -10.326   8.742  -4.078
   14   1HB   PHE   9          HB1       PHE   9  -8.257   9.498  -3.709
   15   2HB   PHE   9          HB2       PHE   9  -9.029  10.948  -4.430
   16    HD1  PHE   9           HD1      PHE   9  -7.759   9.393  -1.323
   17    HD2  PHE   9           HD2      PHE   9  -9.221  12.973  -3.115
   18    HE1  PHE   9           HE1      PHE   9  -6.967  10.684   0.611
   19    HE2  PHE   9           HE2      PHE   9  -8.444  14.265  -1.180
   20    HZ   PHE   9           HZ       PHE   9  -7.332  13.126   0.701
   21    H    VAL  10           HN       VAL  10 -12.478   9.536  -1.787
   22    HA   VAL  10           HA       VAL  10 -11.311   8.128   0.344
   23    HB   VAL  10           HB       VAL  10 -13.205   8.350   1.540
   24   1HG1  VAL  10          HG11      VAL  10 -11.899  10.385   0.572
   25   2HG1  VAL  10          HG12      VAL  10 -13.578  10.758   1.178
   26   3HG1  VAL  10          HG13      VAL  10 -13.274  10.580  -0.575
   27   1HG2  VAL  10          HG21      VAL  10 -15.392   9.067   0.488
   28   2HG2  VAL  10          HG22      VAL  10 -14.962   7.363   0.097
   29   3HG2  VAL  10          HG23      VAL  10 -14.705   8.656  -1.155
   30    H    GLY  11           HN       GLY  11 -11.823   6.646  -2.350
   31   1HA   GLY  11          HA2       GLY  11 -12.081   3.940  -1.145
   32   2HA   GLY  11          HA1       GLY  11 -12.672   4.421  -2.854
   33    H    LEU  12           HN       LEU  12  -9.715   5.801  -1.628
   34    HA   LEU  12           HA       LEU  12  -8.137   4.606  -3.608
   35   1HB   LEU  12          HB1       LEU  12  -6.991   6.350  -3.802
   36   2HB   LEU  12          HB2       LEU  12  -7.926   7.044  -2.421
   37    HG   LEU  12           HG       LEU  12  -5.117   6.154  -1.886
   38   1HD1  LEU  12          HD21      LEU  12  -4.812   8.053  -3.019
   39   2HD1  LEU  12          HD22      LEU  12  -5.704   8.874  -1.690
   40   3HD1  LEU  12          HD23      LEU  12  -6.551   8.424  -3.196
   41   1HD2  LEU  12          HD11      LEU  12  -7.659   7.248  -0.426
   42   2HD2  LEU  12          HD12      LEU  12  -6.069   7.292   0.305
   43   3HD2  LEU  12          HD13      LEU  12  -6.771   5.722  -0.038
   44    H    ARG  13           HN       ARG  13  -5.734   4.335  -3.055
   45    HA   ARG  13           HA       ARG  13  -5.798   1.540  -2.202
   46   1HB   ARG  13          HB2       ARG  13  -3.644   3.009  -3.880
   47   2HB   ARG  13          HB1       ARG  13  -3.925   1.254  -3.721
   48   1HG   ARG  13          HG1       ARG  13  -4.759   1.717  -5.835
   49   2HG   ARG  13          HG2       ARG  13  -6.233   1.661  -4.831
   50   1HD   ARG  13          HD2       ARG  13  -6.161   3.444  -6.658
   51   2HD   ARG  13          HD1       ARG  13  -6.467   4.121  -5.013
   52    HE   ARG  13           HE       ARG  13  -3.605   4.098  -5.615
   53   1HH1  ARG  13          HH11      ARG  13  -6.629   5.864  -6.339
   54   2HH1  ARG  13          HH12      ARG  13  -5.836   7.382  -6.601
   55   1HH2  ARG  13          HH21      ARG  13  -2.563   6.155  -5.970
   56   2HH2  ARG  13          HH22      ARG  13  -3.502   7.548  -6.388
   57    H    VAL  14           HN       VAL  14  -4.775   0.967  -0.191
   58    HA   VAL  14           HA       VAL  14  -3.110   3.136   0.929
   59    HB   VAL  14           HB       VAL  14  -5.588   1.683   1.832
   60   1HG1  VAL  14          HG11      VAL  14  -3.692   3.182   3.698
   61   2HG1  VAL  14          HG12      VAL  14  -4.179   1.477   3.841
   62   3HG1  VAL  14          HG13      VAL  14  -5.403   2.776   4.077
   63   1HG2  VAL  14          HG21      VAL  14  -6.001   4.262   2.527
   64   2HG2  VAL  14          HG22      VAL  14  -6.437   3.540   0.943
   65   3HG2  VAL  14          HG23      VAL  14  -4.925   4.478   1.093
   66    H    VAL  15           HN       VAL  15  -1.755   2.686   2.600
   67    HA   VAL  15           HA       VAL  15  -0.510   0.020   2.727
   68    HB   VAL  15           HB       VAL  15   1.636   1.556   3.407
   69   1HG1  VAL  15          HG21      VAL  15   0.429   1.316   0.565
   70   2HG1  VAL  15          HG22      VAL  15   1.168  -0.046   1.489
   71   3HG1  VAL  15          HG23      VAL  15   2.189   1.382   1.012
   72   1HG2  VAL  15          HG11      VAL  15   1.501   3.763   2.397
   73   2HG2  VAL  15          HG12      VAL  15   0.396   3.624   3.767
   74   3HG2  VAL  15          HG13      VAL  15  -0.210   3.615   2.077
   75    H    ALA  16           HN       ALA  16  -0.143  -0.763   4.690
   76    HA   ALA  16           HA       ALA  16  -1.453   0.621   6.933
   77   1HB   ALA  16          HB1       ALA  16  -2.441  -1.712   7.315
   78   2HB   ALA  16          HB2       ALA  16  -1.533  -2.313   5.871
   79   3HB   ALA  16          HB3       ALA  16  -2.806  -1.137   5.642
   80    H    LYS  17           HN       LYS  17   0.086   1.301   8.183
   81    HA   LYS  17           HA       LYS  17   2.144  -0.571   9.152
   82   1HB   LYS  17          HB2       LYS  17   3.239   2.049   9.174
   83   2HB   LYS  17          HB1       LYS  17   3.711   0.670   8.147
   84   1HG   LYS  17          HG1       LYS  17   2.978   1.939   6.191
   85   2HG   LYS  17          HG2       LYS  17   1.471   2.267   6.950
   86   1HD   LYS  17          HD1       LYS  17   2.316   4.387   6.804
   87   2HD   LYS  17          HD2       LYS  17   2.630   3.964   8.509
   88   1HE   LYS  17          HE2       LYS  17   5.045   3.432   7.917
   89   2HE   LYS  17          HE1       LYS  17   4.685   3.959   6.214
   90   1HZ   LYS  17          HZ1       LYS  17   5.689   5.693   7.513
   91   2HZ   LYS  17          HZ2       LYS  17   4.433   5.634   8.655
   92   3HZ   LYS  17          HZ3       LYS  17   4.107   6.119   7.061
   93    H    TRP  18           HN       TRP  18   1.907  -0.719  11.395
   94    HA   TRP  18           HA       TRP  18   0.704   1.545  12.839
   95   1HB   TRP  18          HB2       TRP  18   1.057  -1.296  13.828
   96   2HB   TRP  18          HB1       TRP  18   0.362   0.085  14.722
   97    HD1  TRP  18           HD1      TRP  18  -0.662  -2.490  11.962
   98    HE1  TRP  18           HE1      TRP  18  -3.222  -2.139  11.617
   99    HE3  TRP  18           HE3      TRP  18  -1.141   1.931  14.396
  100    HZ2  TRP  18           HZ2      TRP  18  -5.168  -0.283  12.482
  101    HZ3  TRP  18           HZ3      TRP  18  -3.340   2.750  14.884
  102    HH2  TRP  18           HH2      TRP  18  -5.351   1.701  13.919
  103    H    SER  19           HN       SER  19   3.335  -0.629  14.019
  104    HA   SER  19           HA       SER  19   4.755   1.761  15.010
  105   1HB   SER  19          HB2       SER  19   4.860  -1.157  16.014
  106   2HB   SER  19          HB1       SER  19   5.677   0.270  16.757
  107    HG   SER  19           HG       SER  19   3.492   1.146  16.977
  108    H    SER  20           HN       SER  20   7.185   1.816  14.716
  109    HA   SER  20           HA       SER  20   7.882   0.974  12.153
  110   1HB   SER  20          HB1       SER  20   9.726   1.912  14.400
  111   2HB   SER  20          HB2       SER  20  10.140   1.843  12.634
  112    HG   SER  20           HG       SER  20   9.371   3.910  13.230
  113    H    ASN  21           HN       ASN  21   8.090  -0.907  11.471
  114    HA   ASN  21           HA       ASN  21   9.496  -3.071  12.847
  115   1HB   ASN  21          HB2       ASN  21   6.883  -3.085  12.675
  116   2HB   ASN  21          HB1       ASN  21   7.023  -2.728  10.939
  117   1HD2  ASN  21          HD21      ASN  21   8.251  -5.425  13.115
  118   2HD2  ASN  21          HD22      ASN  21   7.656  -6.683  12.036
  119    H    GLY  22           HN       GLY  22   9.664  -1.076  10.367
  120   1HA   GLY  22          HA2       GLY  22  11.269  -1.010   8.720
  121   2HA   GLY  22          HA1       GLY  22  11.383  -2.768   8.708
  122    H    TYR  23           HN       TYR  23   8.213  -2.824   8.593
  123    HA   TYR  23           HA       TYR  23   7.835  -1.698   5.977
  124   1HB   TYR  23          HB2       TYR  23   6.901  -3.850   4.929
  125   2HB   TYR  23          HB1       TYR  23   8.629  -3.404   5.005
  126    HD1  TYR  23           HD1      TYR  23   6.026  -5.737   5.884
  127    HD2  TYR  23           HD2      TYR  23  10.066  -4.675   6.760
  128    HE1  TYR  23           HE1      TYR  23   6.430  -7.959   6.801
  129    HE2  TYR  23           HE2      TYR  23  10.411  -6.812   7.834
  130    HH   TYR  23           HH       TYR  23   8.397  -9.480   7.354
  131    H    PHE  24           HN       PHE  24   5.848  -1.952   4.833
  132    HA   PHE  24           HA       PHE  24   3.551  -1.645   6.649
  133   1HB   PHE  24          HB1       PHE  24   3.044  -0.443   3.976
  134   2HB   PHE  24          HB2       PHE  24   2.662   0.094   5.590
  135    HD1  PHE  24           HD1      PHE  24   5.278   0.456   6.805
  136    HD2  PHE  24           HD2      PHE  24   3.907   1.802   2.922
  137    HE1  PHE  24           HE1      PHE  24   7.073   2.013   6.674
  138    HE2  PHE  24           HE2      PHE  24   5.578   3.390   2.978
  139    HZ   PHE  24           HZ       PHE  24   7.450   3.283   4.695
  140    H    TYR  25           HN       TYR  25   1.864  -2.659   6.148
  141    HA   TYR  25           HA       TYR  25   1.733  -4.845   4.267
  142   1HB   TYR  25          HB2       TYR  25   0.064  -4.094   6.802
  143   2HB   TYR  25          HB1       TYR  25  -0.040  -5.658   5.890
  144    HD1  TYR  25           HD1      TYR  25   2.028  -3.621   8.230
  145    HD2  TYR  25           HD2      TYR  25   1.781  -7.309   6.097
  146    HE1  TYR  25           HE1      TYR  25   4.021  -4.417   9.381
  147    HE2  TYR  25           HE2      TYR  25   3.734  -8.130   7.330
  148    HH   TYR  25           HH       TYR  25   5.672  -6.037   9.464
  149    H    SER  26           HN       SER  26  -0.931  -4.899   3.796
  150    HA   SER  26           HA       SER  26  -1.496  -2.502   2.260
  151   1HB   SER  26          HB2       SER  26  -2.801  -4.064   0.997
  152   2HB   SER  26          HB1       SER  26  -1.050  -4.633   1.175
  153    HG   SER  26           HG       SER  26  -3.196  -5.561   2.868
  154    H    GLY  27           HN       GLY  27  -3.413  -1.374   2.274
  155   1HA   GLY  27          HA2       GLY  27  -5.608  -2.097   4.062
  156   2HA   GLY  27          HA1       GLY  27  -4.786  -0.505   4.133
  157    H    LYS  28           HN       LYS  28  -7.814  -0.513   3.481
  158    HA   LYS  28           HA       LYS  28  -7.360   0.770   0.876
  159   1HB   LYS  28          HB2       LYS  28 -10.030  -0.568   1.563
  160   2HB   LYS  28          HB1       LYS  28  -9.523   0.294   0.053
  161   1HG   LYS  28          HG2       LYS  28  -7.966  -1.570  -0.475
  162   2HG   LYS  28          HG1       LYS  28  -8.497  -2.441   0.998
  163   1HD   LYS  28          HD1       LYS  28 -10.355  -1.585  -1.317
  164   2HD   LYS  28          HD2       LYS  28  -9.660  -3.223  -1.086
  165   1HE   LYS  28          HE2       LYS  28 -10.896  -3.381   1.150
  166   2HE   LYS  28          HE1       LYS  28 -11.681  -1.796   0.779
  167   1HZ   LYS  28          HZ1       LYS  28 -13.052  -3.641   0.165
  168   2HZ   LYS  28          HZ2       LYS  28 -11.854  -4.262  -0.866
  169   3HZ   LYS  28          HZ3       LYS  28 -12.587  -2.772  -1.217
  170    H    ILE  29           HN       ILE  29  -9.124   2.725   0.819
  171    HA   ILE  29           HA       ILE  29  -9.643   3.544   3.633
  172    HB   ILE  29           HB       ILE  29  -8.212   5.050   2.618
  173   1HG1  ILE  29          HG11      ILE  29 -11.018   6.285   2.866
  174   2HG1  ILE  29          HG12      ILE  29  -9.868   5.958   4.211
  175   1HG2  ILE  29          HG21      ILE  29 -10.287   4.960   0.381
  176   2HG2  ILE  29          HG22      ILE  29  -8.532   4.701   0.327
  177   3HG2  ILE  29          HG23      ILE  29  -9.186   6.357   0.550
  178   1HD1  ILE  29          HD11      ILE  29  -8.217   7.534   3.060
  179   2HD1  ILE  29          HD12      ILE  29  -9.756   8.316   3.574
  180   3HD1  ILE  29          HD13      ILE  29  -9.494   7.917   1.855
  181    H    THR  30           HN       THR  30 -11.729   4.422   4.186
  182    HA   THR  30           HA       THR  30 -13.974   3.612   2.415
  183    HB   THR  30           HB       THR  30 -13.946   3.623   5.475
  184    HG1  THR  30           HG1      THR  30 -13.070   1.753   4.784
  185   1HG2  THR  30          HG21      THR  30 -16.158   3.019   3.391
  186   2HG2  THR  30          HG22      THR  30 -16.231   4.277   4.685
  187   3HG2  THR  30          HG23      THR  30 -16.251   2.541   5.122
  188    H    ARG  31           HN       ARG  31 -12.784   6.189   4.816
  189    HA   ARG  31           HA       ARG  31 -14.239   8.168   3.241
  190   1HB   ARG  31          HB1       ARG  31 -14.728   7.786   6.267
  191   2HB   ARG  31          HB2       ARG  31 -15.224   9.228   5.316
  192   1HG   ARG  31          HG2       ARG  31 -16.866   7.902   4.058
  193   2HG   ARG  31          HG1       ARG  31 -16.314   6.399   4.878
  194   1HD   ARG  31          HD1       ARG  31 -16.917   7.362   7.113
  195   2HD   ARG  31          HD2       ARG  31 -17.574   8.843   6.288
  196    HE   ARG  31           HE       ARG  31 -18.839   6.679   4.995
  197   1HH1  ARG  31          HH11      ARG  31 -18.635   7.836   8.373
  198   2HH1  ARG  31          HH12      ARG  31 -20.200   7.237   8.812
  199   1HH2  ARG  31          HH21      ARG  31 -20.940   5.885   5.607
  200   2HH2  ARG  31          HH22      ARG  31 -21.525   6.115   7.222
  201    H    ASP  32           HN       ASP  32 -13.215  10.407   3.962
  202    HA   ASP  32           HA       ASP  32 -10.552   9.989   5.200
  203   1HB   ASP  32          HB2       ASP  32  -9.996  12.264   4.609
  204   2HB   ASP  32          HB1       ASP  32 -10.508  11.308   3.183
  205    H    VAL  33           HN       VAL  33  -9.938  10.887   7.338
  206    HA   VAL  33           HA       VAL  33 -12.198  12.126   8.817
  207    HB   VAL  33           HB       VAL  33 -10.738  11.400  10.917
  208   1HG1  VAL  33          HG21      VAL  33 -13.197  11.187  10.513
  209   2HG1  VAL  33          HG22      VAL  33 -12.512   9.704  11.269
  210   3HG1  VAL  33          HG23      VAL  33 -12.906   9.711   9.517
  211   1HG2  VAL  33          HG11      VAL  33 -10.613   8.711   9.442
  212   2HG2  VAL  33          HG12      VAL  33  -9.740   9.190  10.884
  213   3HG2  VAL  33          HG13      VAL  33  -9.205   9.796   9.354
  214    H    GLY  34           HN       GLY  34 -11.939  14.126   9.177
  215   1HA   GLY  34          HA2       GLY  34 -11.237  16.182   8.697
  216   2HA   GLY  34          HA1       GLY  34 -10.254  15.788  10.139
  217    H    ALA  35           HN       ALA  35  -8.324  16.686  10.029
  218    HA   ALA  35           HA       ALA  35  -6.754  16.750   7.516
  219   1HB   ALA  35          HB1       ALA  35  -5.492  18.619   8.627
  220   2HB   ALA  35          HB2       ALA  35  -6.538  18.478  10.094
  221   3HB   ALA  35          HB3       ALA  35  -7.233  19.056   8.536
  222    H    GLY  36           HN       GLY  36  -5.245  15.358   7.339
  223   1HA   GLY  36          HA2       GLY  36  -3.370  14.273   7.882
  224   2HA   GLY  36          HA1       GLY  36  -3.613  14.607   9.624
  225    H    LYS  37           HN       LYS  37  -6.519  13.180   8.532
  226    HA   LYS  37           HA       LYS  37  -5.488  10.475   9.075
  227   1HB   LYS  37          HB2       LYS  37  -7.842  10.482  10.532
  228   2HB   LYS  37          HB1       LYS  37  -6.213  10.542  11.176
  229   1HG   LYS  37          HG1       LYS  37  -6.308  12.951  11.498
  230   2HG   LYS  37          HG2       LYS  37  -7.820  13.092  10.551
  231   1HD   LYS  37          HD1       LYS  37  -8.999  11.615  12.231
  232   2HD   LYS  37          HD2       LYS  37  -7.492  11.573  13.205
  233   1HE   LYS  37          HE2       LYS  37  -9.059  13.222  14.137
  234   2HE   LYS  37          HE1       LYS  37  -7.613  14.099  13.464
  235   1HZ   LYS  37          HZ1       LYS  37  -8.904  14.569  11.492
  236   2HZ   LYS  37          HZ2       LYS  37  -9.666  15.167  12.885
  237   3HZ   LYS  37          HZ3       LYS  37 -10.252  13.761  12.134
  238    H    TYR  38           HN       TYR  38  -7.029   8.748   8.789
  239    HA   TYR  38           HA       TYR  38  -8.854   9.034   6.536
  240   1HB   TYR  38          HB1       TYR  38  -6.459   7.066   6.624
  241   2HB   TYR  38          HB2       TYR  38  -7.727   7.104   5.343
  242    HD1  TYR  38           HD1      TYR  38  -4.583   8.380   6.366
  243    HD2  TYR  38           HD2      TYR  38  -8.072   9.575   4.304
  244    HE1  TYR  38           HE1      TYR  38  -3.211   9.988   5.030
  245    HE2  TYR  38           HE2      TYR  38  -6.858  11.366   3.222
  246    HH   TYR  38           HH       TYR  38  -4.970  12.443   2.978
  247    H    LYS  39           HN       LYS  39 -10.606   7.347   6.559
  248    HA   LYS  39           HA       LYS  39 -10.881   5.585   8.936
  249   1HB   LYS  39          HB1       LYS  39 -12.652   7.227   9.219
  250   2HB   LYS  39          HB2       LYS  39 -12.712   7.578   7.473
  251   1HG   LYS  39          HG1       LYS  39 -14.759   6.498   8.098
  252   2HG   LYS  39          HG2       LYS  39 -13.849   5.406   7.008
  253   1HD   LYS  39          HD2       LYS  39 -13.112   4.089   9.111
  254   2HD   LYS  39          HD1       LYS  39 -14.258   5.109  10.044
  255   1HE   LYS  39          HE2       LYS  39 -14.925   3.296   7.616
  256   2HE   LYS  39          HE1       LYS  39 -15.339   2.952   9.341
  257   1HZ   LYS  39          HZ1       LYS  39 -17.201   3.807   8.132
  258   2HZ   LYS  39          HZ2       LYS  39 -16.357   5.225   7.726
  259   3HZ   LYS  39          HZ3       LYS  39 -16.738   4.899   9.348
  260    H    LEU  40           HN       LEU  40 -10.350   3.828   8.402
  261    HA   LEU  40           HA       LEU  40 -10.546   3.159   5.522
  262   1HB   LEU  40          HB1       LEU  40  -8.086   2.887   5.486
  263   2HB   LEU  40          HB2       LEU  40  -8.445   4.428   6.298
  264    HG   LEU  40           HG       LEU  40  -6.869   3.632   7.677
  265   1HD1  LEU  40          HD11      LEU  40  -9.145   2.332   9.102
  266   2HD1  LEU  40          HD12      LEU  40  -8.628   4.105   9.209
  267   3HD1  LEU  40          HD13      LEU  40  -7.546   2.791   9.808
  268   1HD2  LEU  40          HD21      LEU  40  -7.973   0.714   7.576
  269   2HD2  LEU  40          HD22      LEU  40  -6.373   1.250   8.139
  270   3HD2  LEU  40          HD23      LEU  40  -6.819   1.318   6.366
  271    H    LEU  41           HN       LEU  41 -10.349   1.015   4.762
  272    HA   LEU  41           HA       LEU  41 -10.527  -0.943   6.940
  273   1HB   LEU  41          HB2       LEU  41 -12.581  -0.118   6.750
  274   2HB   LEU  41          HB1       LEU  41 -12.743  -0.382   4.951
  275    HG   LEU  41           HG       LEU  41 -12.257  -2.654   6.960
  276   1HD1  LEU  41          HD11      LEU  41 -14.710  -3.138   6.897
  277   2HD1  LEU  41          HD12      LEU  41 -14.978  -1.892   5.621
  278   3HD1  LEU  41          HD13      LEU  41 -14.564  -1.385   7.286
  279   1HD2  LEU  41          HD21      LEU  41 -13.348  -4.054   5.053
  280   2HD2  LEU  41          HD22      LEU  41 -11.771  -3.336   4.591
  281   3HD2  LEU  41          HD23      LEU  41 -13.293  -2.592   4.019
  282    H    PHE  42           HN       PHE  42  -9.149  -2.502   6.616
  283    HA   PHE  42           HA       PHE  42  -7.486  -2.456   4.296
  284   1HB   PHE  42          HB2       PHE  42  -7.741  -4.790   6.277
  285   2HB   PHE  42          HB1       PHE  42  -6.447  -4.637   5.027
  286    HD1  PHE  42           HD1      PHE  42  -7.186  -1.488   7.012
  287    HD2  PHE  42           HD2      PHE  42  -5.022  -5.162   6.778
  288    HE1  PHE  42           HE1      PHE  42  -5.749  -0.772   8.819
  289    HE2  PHE  42           HE2      PHE  42  -3.535  -4.392   8.561
  290    HZ   PHE  42           HZ       PHE  42  -3.912  -2.180   9.596
  291    H    ASP  43           HN       ASP  43  -7.139  -4.082   2.539
  292    HA   ASP  43           HA       ASP  43  -9.464  -4.976   1.276
  293   1HB   ASP  43          HB2       ASP  43  -8.033  -5.973  -0.444
  294   2HB   ASP  43          HB1       ASP  43  -7.515  -4.326   0.002
  295    H    ASP  44           HN       ASP  44  -8.250  -6.315   3.880
  296    HA   ASP  44           HA       ASP  44  -9.276  -9.031   3.498
  297   1HB   ASP  44          HB1       ASP  44  -7.608  -9.763   5.188
  298   2HB   ASP  44          HB2       ASP  44  -6.866  -8.987   3.725
  299    H    GLY  45           HN       GLY  45 -10.183  -5.943   4.880
  300   1HA   GLY  45          HA2       GLY  45 -12.111  -5.626   5.751
  301   2HA   GLY  45          HA1       GLY  45 -12.229  -7.345   6.410
  302    H    TYR  46           HN       TYR  46  -9.473  -5.236   7.236
  303    HA   TYR  46           HA       TYR  46 -10.618  -5.071   9.974
  304   1HB   TYR  46          HB1       TYR  46  -8.460  -6.270   9.916
  305   2HB   TYR  46          HB2       TYR  46  -7.676  -4.833   9.155
  306    HD1  TYR  46           HD1      TYR  46  -6.906  -3.102  10.498
  307    HD2  TYR  46           HD2      TYR  46  -9.655  -5.864  12.209
  308    HE1  TYR  46           HE1      TYR  46  -6.850  -1.846  12.601
  309    HE2  TYR  46           HE2      TYR  46  -9.555  -4.633  14.347
  310    HH   TYR  46           HH       TYR  46  -7.946  -1.496  14.548
  311    H    GLU  47           HN       GLU  47 -11.699  -3.255  10.368
  312    HA   GLU  47           HA       GLU  47 -10.835  -0.764   9.098
  313   1HB   GLU  47          HB2       GLU  47 -13.161  -1.496   8.741
  314   2HB   GLU  47          HB1       GLU  47 -13.511  -1.409  10.463
  315   1HG   GLU  47          HG2       GLU  47 -12.362   1.180   9.245
  316   2HG   GLU  47          HG1       GLU  47 -13.923   0.608   8.531
  317    H    CYS  48           HN       CYS  48 -10.752   1.182  10.161
  318    HA   CYS  48           HA       CYS  48 -11.014   1.440  12.996
  319   1HB   CYS  48          HB1       CYS  48  -8.690   0.178  12.705
  320   2HB   CYS  48          HB2       CYS  48  -8.089   1.717  12.027
  321    HG   CYS  48           HG       CYS  48  -9.468   1.125  15.011
  322    H    ASP  49           HN       ASP  49  -9.859   3.892  13.422
  323    HA   ASP  49           HA       ASP  49  -9.893   5.336  10.843
  324   1HB   ASP  49          HB2       ASP  49 -10.522   6.823  13.531
  325   2HB   ASP  49          HB1       ASP  49 -10.651   7.419  11.852
  326    H    VAL  50           HN       VAL  50  -7.864   6.584  10.797
  327    HA   VAL  50           HA       VAL  50  -6.296   6.644  13.249
  328    HB   VAL  50           HB       VAL  50  -4.245   5.675  11.897
  329   1HG1  VAL  50          HG21      VAL  50  -6.574   3.730  12.226
  330   2HG1  VAL  50          HG22      VAL  50  -5.558   4.399  13.558
  331   3HG1  VAL  50          HG23      VAL  50  -4.792   3.407  12.242
  332   1HG2  VAL  50          HG11      VAL  50  -4.707   5.883   9.621
  333   2HG2  VAL  50          HG12      VAL  50  -6.454   5.576   9.760
  334   3HG2  VAL  50          HG13      VAL  50  -5.291   4.194   9.868
  335    H    LEU  51           HN       LEU  51  -4.194   7.823  12.951
  336    HA   LEU  51           HA       LEU  51  -4.349   9.977  10.980
  337   1HB   LEU  51          HB2       LEU  51  -2.437   9.219  13.357
  338   2HB   LEU  51          HB1       LEU  51  -1.916  10.487  12.201
  339    HG   LEU  51           HG       LEU  51  -2.680  11.371  14.339
  340   1HD1  LEU  51          HD21      LEU  51  -4.296  12.259  11.885
  341   2HD1  LEU  51          HD22      LEU  51  -2.608  12.742  12.279
  342   3HD1  LEU  51          HD23      LEU  51  -3.968  13.263  13.346
  343   1HD2  LEU  51          HD11      LEU  51  -5.058  11.578  14.923
  344   2HD2  LEU  51          HD12      LEU  51  -4.600   9.841  14.843
  345   3HD2  LEU  51          HD13      LEU  51  -5.540  10.588  13.496
  346    H    GLY  52           HN       GLY  52  -2.967  10.528   9.432
  347   1HA   GLY  52          HA2       GLY  52  -3.410   8.322   7.955
  348   2HA   GLY  52          HA1       GLY  52  -2.566   9.745   7.309
  349    H    LYS  53           HN       LYS  53  -0.227   9.523   8.910
  350    HA   LYS  53           HA       LYS  53   1.572   8.015   7.441
  351   1HB   LYS  53          HB1       LYS  53   3.067   8.658   9.561
  352   2HB   LYS  53          HB2       LYS  53   2.411   9.895   8.479
  353   1HG   LYS  53          HG1       LYS  53   2.269  10.611  10.794
  354   2HG   LYS  53          HG2       LYS  53   0.680  10.573  10.000
  355   1HD   LYS  53          HD2       LYS  53   0.369   9.874  12.279
  356   2HD   LYS  53          HD1       LYS  53   0.147   8.425  11.254
  357   1HE   LYS  53          HE2       LYS  53   1.382   7.824  13.285
  358   2HE   LYS  53          HE1       LYS  53   2.488   7.651  11.879
  359   1HZ   LYS  53          HZ1       LYS  53   2.370   9.972  13.735
  360   2HZ   LYS  53          HZ2       LYS  53   3.409   9.818  12.400
  361   3HZ   LYS  53          HZ3       LYS  53   3.545   8.745  13.709
  362    H    ASP  54           HN       ASP  54  -0.548   6.385   8.632
  363    HA   ASP  54           HA       ASP  54   0.866   4.149   9.765
  364   1HB   ASP  54          HB1       ASP  54  -1.874   5.177  10.830
  365   2HB   ASP  54          HB2       ASP  54  -1.158   3.576  11.231
  366    H    ILE  55           HN       ILE  55  -2.535   5.083   8.824
  367    HA   ILE  55           HA       ILE  55  -2.265   3.146   6.603
  368    HB   ILE  55           HB       ILE  55  -4.874   3.195   7.991
  369   1HG1  ILE  55          HG11      ILE  55  -3.376   2.977   9.966
  370   2HG1  ILE  55          HG12      ILE  55  -4.508   1.660   9.633
  371   1HG2  ILE  55          HG21      ILE  55  -4.789   1.873   6.036
  372   2HG2  ILE  55          HG22      ILE  55  -4.459   0.642   7.305
  373   3HG2  ILE  55          HG23      ILE  55  -3.134   1.306   6.303
  374   1HD1  ILE  55          HD11      ILE  55  -1.441   1.465   9.158
  375   2HD1  ILE  55          HD12      ILE  55  -2.655   0.168   8.869
  376   3HD1  ILE  55          HD13      ILE  55  -2.352   0.818  10.517
  377    H    LEU  56           HN       LEU  56  -2.090   4.398   4.982
  378    HA   LEU  56           HA       LEU  56  -4.015   6.523   4.328
  379   1HB   LEU  56          HB1       LEU  56  -2.259   8.089   3.606
  380   2HB   LEU  56          HB2       LEU  56  -2.179   7.593   5.281
  381    HG   LEU  56           HG       LEU  56  -0.319   5.960   4.688
  382   1HD1  LEU  56          HD21      LEU  56  -0.111   7.490   1.978
  383   2HD1  LEU  56          HD22      LEU  56  -0.448   5.757   2.088
  384   3HD1  LEU  56          HD23      LEU  56   1.081   6.338   2.545
  385   1HD2  LEU  56          HD11      LEU  56  -0.381   8.671   5.304
  386   2HD2  LEU  56          HD12      LEU  56   0.501   8.687   3.768
  387   3HD2  LEU  56          HD13      LEU  56   1.142   7.726   5.136
  388    H    LEU  57           HN       LEU  57  -4.140   7.595   2.042
  389    HA   LEU  57           HA       LEU  57  -4.098   6.243  -0.179
  390   1HB   LEU  57          HB1       LEU  57  -3.876   8.566  -1.087
  391   2HB   LEU  57          HB2       LEU  57  -4.848   8.711   0.408
  392    HG   LEU  57           HG       LEU  57  -2.136   9.815  -0.389
  393   1HD1  LEU  57          HD11      LEU  57  -4.608  11.109   0.879
  394   2HD1  LEU  57          HD12      LEU  57  -4.211  11.090  -0.882
  395   3HD1  LEU  57          HD13      LEU  57  -3.131  11.949   0.281
  396   1HD2  LEU  57          HD21      LEU  57  -1.795  10.730   1.912
  397   2HD2  LEU  57          HD22      LEU  57  -1.599   8.950   1.827
  398   3HD2  LEU  57          HD23      LEU  57  -3.137   9.657   2.488
  399    H    CYS  58           HN       CYS  58  -2.589   5.077  -1.074
  400    HA   CYS  58           HA       CYS  58   0.064   6.207  -1.542
  401   1HB   CYS  58          HB1       CYS  58  -0.727   4.251   0.218
  402   2HB   CYS  58          HB2       CYS  58  -0.562   3.243  -1.231
  403    HG   CYS  58           HG       CYS  58   1.580   3.434   0.477
  404    H    ASP  59           HN       ASP  59   0.595   4.966  -3.520
  405    HA   ASP  59           HA       ASP  59  -1.466   4.672  -5.606
  406   1HB   ASP  59          HB2       ASP  59   1.220   5.617  -5.938
  407   2HB   ASP  59          HB1       ASP  59   1.250   3.984  -6.671
  408    HA   PRO  60           HA       PRO  60   0.888   3.252  -2.724
  409   1HB   PRO  60          HB2       PRO  60   2.443   0.781  -2.453
  410   2HB   PRO  60          HB1       PRO  60   1.504   1.723  -1.319
  411   1HG   PRO  60          HG1       PRO  60   0.435  -0.556  -2.219
  412   2HG   PRO  60          HG2       PRO  60  -0.583   0.889  -1.893
  413   1HD   PRO  60          HD2       PRO  60   0.557   0.009  -4.603
  414   2HD   PRO  60          HD1       PRO  60  -1.186   0.376  -4.178
  415    H    ILE  61           HN       ILE  61   3.125   1.334  -4.642
  416    HA   ILE  61           HA       ILE  61   4.850   3.615  -4.162
  417    HB   ILE  61           HB       ILE  61   5.037   0.650  -4.372
  418   1HG1  ILE  61          HG12      ILE  61   4.224   2.166  -2.305
  419   2HG1  ILE  61          HG11      ILE  61   5.509   0.939  -2.062
  420   1HG2  ILE  61          HG21      ILE  61   7.388   1.057  -3.371
  421   2HG2  ILE  61          HG22      ILE  61   7.366   2.700  -4.004
  422   3HG2  ILE  61          HG23      ILE  61   7.348   1.326  -5.192
  423   1HD1  ILE  61          HD11      ILE  61   6.416   3.793  -2.693
  424   2HD1  ILE  61          HD12      ILE  61   7.054   2.542  -1.614
  425   3HD1  ILE  61          HD13      ILE  61   5.614   3.500  -1.113
  426    HA   PRO  62           HA       PRO  62   5.197   5.277  -7.997
  427   1HB   PRO  62          HB2       PRO  62   8.255   5.268  -7.702
  428   2HB   PRO  62          HB1       PRO  62   7.157   6.656  -8.077
  429   1HG   PRO  62          HG1       PRO  62   8.033   6.325  -5.413
  430   2HG   PRO  62          HG2       PRO  62   6.277   6.561  -5.714
  431   1HD   PRO  62          HD1       PRO  62   7.715   4.028  -5.348
  432   2HD   PRO  62          HD2       PRO  62   6.318   4.734  -4.515
  433    H    LEU  63           HN       LEU  63   4.667   4.376  -9.835
  434    HA   LEU  63           HA       LEU  63   4.816   1.956 -10.548
  435   1HB   LEU  63          HB1       LEU  63   4.142   4.548 -11.933
  436   2HB   LEU  63          HB2       LEU  63   3.832   3.012 -12.809
  437    HG   LEU  63           HG       LEU  63   2.961   2.858  -9.957
  438   1HD1  LEU  63          HD21      LEU  63   2.396   5.255 -10.210
  439   2HD1  LEU  63          HD22      LEU  63   0.954   4.226 -10.105
  440   3HD1  LEU  63          HD23      LEU  63   1.455   4.885 -11.714
  441   1HD2  LEU  63          HD11      LEU  63   1.681   2.310 -12.703
  442   2HD2  LEU  63          HD12      LEU  63   0.988   1.817 -11.109
  443   3HD2  LEU  63          HD13      LEU  63   2.575   1.162 -11.651
  444    H    ASP  64           HN       ASP  64   7.587   2.496 -10.526
  445    HA   ASP  64           HA       ASP  64   8.192   0.234 -12.123
  446   1HB   ASP  64          HB2       ASP  64   8.004   1.808 -13.814
  447   2HB   ASP  64          HB1       ASP  64   9.372   2.820 -13.196
  448    H    THR  65           HN       THR  65   8.196   0.501  -9.562
  449    HA   THR  65           HA       THR  65  10.863   1.011  -8.629
  450    HB   THR  65           HB       THR  65   8.324   1.732  -7.153
  451    HG1  THR  65           HG1      THR  65   8.827   3.278  -8.449
  452   1HG2  THR  65          HG21      THR  65   9.915   2.666  -5.418
  453   2HG2  THR  65          HG22      THR  65  11.288   1.866  -6.264
  454   3HG2  THR  65          HG23      THR  65   9.986   0.870  -5.493
  455    H    GLU  66           HN       GLU  66  11.744  -0.250  -7.710
  456    HA   GLU  66           HA       GLU  66  11.021  -2.911  -7.373
  457   1HB   GLU  66          HB2       GLU  66  13.390  -1.669  -5.937
  458   2HB   GLU  66          HB1       GLU  66  13.112  -3.414  -6.280
  459   1HG   GLU  66          HG2       GLU  66  13.212  -2.922  -8.750
  460   2HG   GLU  66          HG1       GLU  66  13.545  -1.184  -8.367
  461    H    VAL  67           HN       VAL  67   9.252  -3.234  -6.184
  462    HA   VAL  67           HA       VAL  67   9.305  -2.744  -3.232
  463    HB   VAL  67           HB       VAL  67   6.683  -3.595  -3.728
  464   1HG1  VAL  67          HG11      VAL  67   7.970  -0.926  -2.988
  465   2HG1  VAL  67          HG12      VAL  67   7.546  -2.312  -1.890
  466   3HG1  VAL  67          HG13      VAL  67   6.229  -1.427  -2.678
  467   1HG2  VAL  67          HG21      VAL  67   7.428  -1.255  -5.610
  468   2HG2  VAL  67          HG22      VAL  67   5.770  -1.823  -5.174
  469   3HG2  VAL  67          HG23      VAL  67   6.847  -2.898  -6.134
  470    H    THR  68           HN       THR  68   7.931  -4.417  -2.077
  471    HA   THR  68           HA       THR  68   9.393  -6.938  -2.701
  472    HB   THR  68           HB       THR  68  10.229  -5.961  -0.773
  473    HG1  THR  68           HG1      THR  68   9.577  -7.583   0.774
  474   1HG2  THR  68          HG21      THR  68   8.078  -4.612  -0.420
  475   2HG2  THR  68          HG22      THR  68   8.671  -5.428   1.108
  476   3HG2  THR  68          HG23      THR  68   7.317  -6.125   0.114
  477    H    ALA  69           HN       ALA  69   8.578  -8.799  -2.934
  478    HA   ALA  69           HA       ALA  69   5.638  -8.953  -3.343
  479   1HB   ALA  69          HB1       ALA  69   6.409 -10.899  -4.826
  480   2HB   ALA  69          HB2       ALA  69   8.108 -10.501  -4.287
  481   3HB   ALA  69          HB3       ALA  69   7.171  -9.295  -5.216
  482    H    LEU  70           HN       LEU  70   4.310 -10.547  -2.249
  483    HA   LEU  70           HA       LEU  70   5.489 -11.607   0.081
  484   1HB   LEU  70          HB2       LEU  70   2.716 -11.609  -0.671
  485   2HB   LEU  70          HB1       LEU  70   3.258 -13.046   0.258
  486    HG   LEU  70           HG       LEU  70   2.495 -11.355   1.751
  487   1HD1  LEU  70          HD21      LEU  70   4.275 -11.266   3.407
  488   2HD1  LEU  70          HD22      LEU  70   5.547 -11.498   2.183
  489   3HD1  LEU  70          HD23      LEU  70   4.433 -12.849   2.552
  490   1HD2  LEU  70          HD11      LEU  70   4.803  -9.546   0.806
  491   2HD2  LEU  70          HD12      LEU  70   3.530  -9.177   2.036
  492   3HD2  LEU  70          HD13      LEU  70   3.062  -9.347   0.307
  493    H    SER  71           HN       SER  71   6.739 -12.815   0.255
  494    HA   SER  71           HA       SER  71   7.085 -15.506  -0.547
  495   1HB   SER  71          HB1       SER  71   8.423 -14.212  -2.229
  496   2HB   SER  71          HB2       SER  71   9.051 -13.145  -0.948
  497    HG   SER  71           HG       SER  71  10.609 -14.606  -1.275
  498    H    GLU  72           HN       GLU  72   8.811 -16.087   1.341
  499    HA   GLU  72           HA       GLU  72   7.647 -16.042   3.716
  500   1HB   GLU  72          HB1       GLU  72   9.535 -17.417   3.117
  501   2HB   GLU  72          HB2       GLU  72  10.583 -15.957   2.871
  502   1HG   GLU  72          HG2       GLU  72  10.738 -15.465   5.108
  503   2HG   GLU  72          HG1       GLU  72   9.469 -16.674   5.632
  504    H    ASP  73           HN       ASP  73   7.651 -15.053   5.737
  505    HA   ASP  73           HA       ASP  73   6.982 -12.574   5.857
  506   1HB   ASP  73          HB2       ASP  73   8.142 -14.073   8.259
  507   2HB   ASP  73          HB1       ASP  73   6.965 -12.705   8.353
  508    H    GLU  74           HN       GLU  74  10.389 -13.126   7.063
  509    HA   GLU  74           HA       GLU  74  10.711 -10.183   6.669
  510   1HB   GLU  74          HB2       GLU  74  10.886 -10.874   9.011
  511   2HB   GLU  74          HB1       GLU  74  12.193 -12.035   8.593
  512   1HG   GLU  74          HG2       GLU  74  13.694 -10.155   7.956
  513   2HG   GLU  74          HG1       GLU  74  12.342  -8.974   8.182
  514    H    TYR  75           HN       TYR  75  11.096 -13.028   5.038
  515    HA   TYR  75           HA       TYR  75  13.846 -12.419   4.088
  516   1HB   TYR  75          HB2       TYR  75  12.642 -15.208   4.305
  517   2HB   TYR  75          HB1       TYR  75  14.345 -14.738   3.997
  518    HD1  TYR  75           HD1      TYR  75  15.774 -14.170   5.778
  519    HD2  TYR  75           HD2      TYR  75  11.618 -14.664   6.657
  520    HE1  TYR  75           HE1      TYR  75  16.248 -14.059   8.181
  521    HE2  TYR  75           HE2      TYR  75  12.114 -14.633   9.032
  522    HH   TYR  75           HH       TYR  75  15.369 -14.100  10.281
  523    H    PHE  76           HN       PHE  76  10.949 -12.082   3.152
  524    HA   PHE  76           HA       PHE  76  10.474 -12.803   0.560
  525   1HB   PHE  76          HB2       PHE  76   9.011 -10.701   0.423
  526   2HB   PHE  76          HB1       PHE  76   8.764 -11.840   1.773
  527    HD1  PHE  76           HD1      PHE  76   7.440 -10.195   2.686
  528    HD2  PHE  76           HD2      PHE  76  11.649  -9.524   2.347
  529    HE1  PHE  76           HE1      PHE  76   7.289  -8.349   4.263
  530    HE2  PHE  76           HE2      PHE  76  11.473  -7.633   3.848
  531    HZ   PHE  76           HZ       PHE  76   9.292  -6.988   4.764
  532    H    SER  77           HN       SER  77  10.375 -11.398  -1.542
  533    HA   SER  77           HA       SER  77  13.012  -9.995  -1.823
  534   1HB   SER  77          HB1       SER  77  13.268 -11.158  -4.056
  535   2HB   SER  77          HB2       SER  77  13.309 -12.237  -2.635
  536    HG   SER  77           HG       SER  77  11.239 -11.934  -4.523
  537    H    ALA  78           HN       ALA  78  13.333  -8.497  -3.464
  538    HA   ALA  78           HA       ALA  78  10.950  -7.078  -4.176
  539   1HB   ALA  78          HB1       ALA  78  13.789  -6.052  -4.615
  540   2HB   ALA  78          HB2       ALA  78  12.755  -5.705  -3.183
  541   3HB   ALA  78          HB3       ALA  78  12.269  -5.085  -4.761
  542    H    GLY  79           HN       GLY  79  10.151  -6.430  -5.899
  543   1HA   GLY  79          HA2       GLY  79  11.033  -7.359  -8.536
  544   2HA   GLY  79          HA1       GLY  79   9.265  -7.655  -7.895
  545    H    VAL  80           HN       VAL  80   8.824  -6.144  -9.768
  546    HA   VAL  80           HA       VAL  80   9.145  -3.323  -8.744
  547    HB   VAL  80           HB       VAL  80   9.461  -4.776 -11.389
  548   1HG1  VAL  80          HG11      VAL  80   7.971  -2.886 -12.079
  549   2HG1  VAL  80          HG12      VAL  80   9.657  -2.511 -12.553
  550   3HG1  VAL  80          HG13      VAL  80   8.950  -1.723 -11.100
  551   1HG2  VAL  80          HG21      VAL  80  11.572  -3.421 -11.349
  552   2HG2  VAL  80          HG22      VAL  80  11.358  -4.391  -9.822
  553   3HG2  VAL  80          HG23      VAL  80  10.998  -2.598  -9.846
  554    H    VAL  81           HN       VAL  81   7.479  -2.033  -8.437
  555    HA   VAL  81           HA       VAL  81   4.868  -3.031  -9.375
  556    HB   VAL  81           HB       VAL  81   5.042  -1.514  -7.315
  557   1HG1  VAL  81          HG21      VAL  81   5.378   0.954  -7.743
  558   2HG1  VAL  81          HG22      VAL  81   6.099   0.646  -9.339
  559   3HG1  VAL  81          HG23      VAL  81   6.911   0.021  -7.852
  560   1HG2  VAL  81          HG11      VAL  81   2.956  -1.445  -8.801
  561   2HG2  VAL  81          HG12      VAL  81   3.690   0.051  -9.581
  562   3HG2  VAL  81          HG13      VAL  81   3.290   0.048  -7.808
  563    H    LYS  82           HN       LYS  82   3.994  -2.634 -11.432
  564    HA   LYS  82           HA       LYS  82   5.473  -0.652 -13.079
  565   1HB   LYS  82          HB2       LYS  82   5.883  -3.219 -13.464
  566   2HB   LYS  82          HB1       LYS  82   4.281  -3.164 -14.277
  567   1HG   LYS  82          HG2       LYS  82   5.176  -1.386 -15.837
  568   2HG   LYS  82          HG1       LYS  82   6.713  -1.342 -14.906
  569   1HD   LYS  82          HD2       LYS  82   7.052  -3.820 -15.509
  570   2HD   LYS  82          HD1       LYS  82   5.600  -3.675 -16.564
  571   1HE   LYS  82          HE2       LYS  82   6.737  -1.835 -17.874
  572   2HE   LYS  82          HE1       LYS  82   8.213  -2.037 -16.842
  573   1HZ   LYS  82          HZ1       LYS  82   8.358  -4.312 -17.611
  574   2HZ   LYS  82          HZ2       LYS  82   8.388  -3.215 -18.908
  575   3HZ   LYS  82          HZ3       LYS  82   6.981  -4.109 -18.584
  576    H    GLY  83           HN       GLY  83   2.275  -2.256 -12.531
  577   1HA   GLY  83          HA2       GLY  83   0.930   0.178 -13.350
  578   2HA   GLY  83          HA1       GLY  83   0.750  -1.252 -14.443
  579    H    HIS  84           HN       HIS  84  -1.299   0.235 -12.573
  580    HA   HIS  84           HA       HIS  84  -2.359  -2.232 -11.511
  581   1HB   HIS  84          HB1       HIS  84  -2.809  -0.950  -9.196
  582   2HB   HIS  84          HB2       HIS  84  -1.302  -1.828  -9.554
  583    HD1  HIS  84           HD1      HIS  84  -2.298   1.948  -9.558
  584    HD2  HIS  84           HD2      HIS  84   0.879  -0.708  -8.932
  585    HE1  HIS  84           HE1      HIS  84  -0.209   3.285  -8.754
  586    H    ARG  85           HN       ARG  85  -4.458  -2.486 -10.732
  587    HA   ARG  85           HA       ARG  85  -6.239  -0.368 -11.713
  588   1HB   ARG  85          HB2       ARG  85  -7.331  -1.805 -13.185
  589   2HB   ARG  85          HB1       ARG  85  -5.672  -2.457 -13.351
  590   1HG   ARG  85          HG1       ARG  85  -6.675  -4.458 -13.024
  591   2HG   ARG  85          HG2       ARG  85  -6.542  -4.053 -11.272
  592   1HD   ARG  85          HD2       ARG  85  -8.781  -4.858 -11.618
  593   2HD   ARG  85          HD1       ARG  85  -8.960  -3.081 -11.441
  594    HE   ARG  85           HE       ARG  85  -9.073  -4.694 -14.020
  595   1HH1  ARG  85          HH11      ARG  85  -9.797  -1.619 -12.330
  596   2HH1  ARG  85          HH12      ARG  85 -10.798  -1.014 -13.610
  597   1HH2  ARG  85          HH21      ARG  85 -10.412  -3.859 -15.700
  598   2HH2  ARG  85          HH22      ARG  85 -11.150  -2.300 -15.543
  599    H    LYS  86           HN       LYS  86  -8.151  -0.300 -10.372
  600    HA   LYS  86           HA       LYS  86  -8.492  -2.592  -8.579
  601   1HB   LYS  86          HB2       LYS  86  -7.094  -1.217  -7.321
  602   2HB   LYS  86          HB1       LYS  86  -7.976   0.299  -7.713
  603   1HG   LYS  86          HG2       LYS  86  -9.958  -0.477  -6.366
  604   2HG   LYS  86          HG1       LYS  86  -9.109  -2.030  -6.007
  605   1HD   LYS  86          HD2       LYS  86  -7.262  -0.674  -4.892
  606   2HD   LYS  86          HD1       LYS  86  -8.215   0.817  -5.221
  607   1HE   LYS  86          HE2       LYS  86 -10.099  -0.061  -3.795
  608   2HE   LYS  86          HE1       LYS  86  -9.116  -1.543  -3.438
  609   1HZ   LYS  86          HZ1       LYS  86  -8.920   0.101  -1.721
  610   2HZ   LYS  86          HZ2       LYS  86  -8.358   1.267  -2.821
  611   3HZ   LYS  86          HZ3       LYS  86  -7.425  -0.114  -2.497
  612    H    GLU  87           HN       GLU  87 -10.496  -3.261  -8.738
  613    HA   GLU  87           HA       GLU  87 -12.599  -1.468  -9.798
  614   1HB   GLU  87          HB2       GLU  87 -11.574  -3.243 -11.390
  615   2HB   GLU  87          HB1       GLU  87 -12.296  -4.486 -10.350
  616   1HG   GLU  87          HG2       GLU  87 -14.589  -3.627 -10.846
  617   2HG   GLU  87          HG1       GLU  87 -13.890  -2.198 -11.697
  618    H    SER  88           HN       SER  88 -14.834  -2.250  -8.966
  619    HA   SER  88           HA       SER  88 -14.867  -2.453  -6.197
  620   1HB   SER  88          HB2       SER  88 -17.371  -2.630  -6.512
  621   2HB   SER  88          HB1       SER  88 -16.603  -1.310  -7.450
  622    HG   SER  88           HG       SER  88 -17.169  -3.895  -8.461
  623    H    GLY  89           HN       GLY  89 -13.531  -4.336  -5.787
  624   1HA   GLY  89          HA2       GLY  89 -13.786  -6.291  -4.483
  625   2HA   GLY  89          HA1       GLY  89 -15.008  -6.911  -5.647
  626    H    GLU  90           HN       GLU  90 -12.387  -5.446  -7.462
  627    HA   GLU  90           HA       GLU  90 -10.968  -7.977  -7.665
  628   1HB   GLU  90          HB2       GLU  90 -11.372  -6.165 -10.098
  629   2HB   GLU  90          HB1       GLU  90 -11.061  -7.905  -9.946
  630   1HG   GLU  90          HG2       GLU  90 -13.735  -6.477  -9.400
  631   2HG   GLU  90          HG1       GLU  90 -13.263  -7.253 -10.947
  632    H    LEU  91           HN       LEU  91  -8.917  -7.458  -6.867
  633    HA   LEU  91           HA       LEU  91  -7.918  -4.703  -7.338
  634   1HB   LEU  91          HB2       LEU  91  -8.312  -6.159  -4.946
  635   2HB   LEU  91          HB1       LEU  91  -6.592  -6.552  -5.223
  636    HG   LEU  91           HG       LEU  91  -7.894  -3.718  -5.290
  637   1HD1  LEU  91          HD11      LEU  91  -6.547  -5.175  -2.950
  638   2HD1  LEU  91          HD12      LEU  91  -8.264  -4.660  -3.088
  639   3HD1  LEU  91          HD13      LEU  91  -6.955  -3.413  -2.975
  640   1HD2  LEU  91          HD21      LEU  91  -5.556  -2.863  -4.861
  641   2HD2  LEU  91          HD22      LEU  91  -5.778  -3.625  -6.473
  642   3HD2  LEU  91          HD23      LEU  91  -4.914  -4.520  -5.170
  643    H    TYR  92           HN       TYR  92  -6.122  -4.756  -9.054
  644    HA   TYR  92           HA       TYR  92  -4.327  -6.935  -8.345
  645   1HB   TYR  92          HB2       TYR  92  -4.205  -7.944 -10.766
  646   2HB   TYR  92          HB1       TYR  92  -5.417  -8.501  -9.607
  647    HD1  TYR  92           HD1      TYR  92  -4.948  -6.933 -12.811
  648    HD2  TYR  92           HD2      TYR  92  -7.827  -7.959  -9.865
  649    HE1  TYR  92           HE1      TYR  92  -6.671  -6.815 -14.499
  650    HE2  TYR  92           HE2      TYR  92  -9.609  -7.722 -11.544
  651    HH   TYR  92           HH       TYR  92  -8.899  -6.933 -14.915
  652    H    TYR  93           HN       TYR  93  -2.411  -6.566  -8.354
  653    HA   TYR  93           HA       TYR  93  -1.414  -4.173  -9.750
  654   1HB   TYR  93          HB1       TYR  93  -0.597  -5.475  -7.105
  655   2HB   TYR  93          HB2       TYR  93   0.525  -4.438  -8.050
  656    HD1  TYR  93           HD1      TYR  93  -3.154  -4.110  -7.197
  657    HD2  TYR  93           HD2      TYR  93   0.775  -2.281  -7.023
  658    HE1  TYR  93           HE1      TYR  93  -4.146  -2.001  -6.639
  659    HE2  TYR  93           HE2      TYR  93  -0.318  -0.195  -6.541
  660    HH   TYR  93           HH       TYR  93  -2.275   0.961  -6.239
  661    H    SER  94           HN       SER  94  -0.009  -4.447 -11.398
  662    HA   SER  94           HA       SER  94   0.868  -7.153 -12.079
  663   1HB   SER  94          HB2       SER  94   1.477  -6.261 -14.297
  664   2HB   SER  94          HB1       SER  94  -0.222  -5.945 -13.898
  665    HG   SER  94           HG       SER  94   0.710  -3.740 -13.170
  666    H    ILE  95           HN       ILE  95   2.398  -7.679 -10.781
  667    HA   ILE  95           HA       ILE  95   4.572  -5.787 -10.097
  668    HB   ILE  95           HB       ILE  95   3.638  -8.437  -8.905
  669   1HG1  ILE  95          HG11      ILE  95   1.904  -6.765  -8.632
  670   2HG1  ILE  95          HG12      ILE  95   2.732  -6.982  -7.106
  671   1HG2  ILE  95          HG21      ILE  95   5.049  -7.828  -6.944
  672   2HG2  ILE  95          HG22      ILE  95   5.644  -6.357  -7.751
  673   3HG2  ILE  95          HG23      ILE  95   6.112  -7.970  -8.397
  674   1HD1  ILE  95          HD11      ILE  95   2.990  -4.562  -9.015
  675   2HD1  ILE  95          HD12      ILE  95   4.132  -4.845  -7.648
  676   3HD1  ILE  95          HD13      ILE  95   2.408  -4.589  -7.309
  677    H    GLU  96           HN       GLU  96   6.402  -5.911 -11.187
  678    HA   GLU  96           HA       GLU  96   6.649  -8.250 -13.015
  679   1HB   GLU  96          HB1       GLU  96   6.944  -5.925 -13.907
  680   2HB   GLU  96          HB2       GLU  96   8.497  -5.821 -13.003
  681   1HG   GLU  96          HG2       GLU  96   9.424  -7.738 -14.305
  682   2HG   GLU  96          HG1       GLU  96   7.818  -8.019 -15.074
  683    H    LYS  97           HN       LYS  97   7.659 -10.090 -12.533
  684    HA   LYS  97           HA       LYS  97   9.584  -9.917 -10.215
  685   1HB   LYS  97          HB1       LYS  97   6.926 -10.156  -9.852
  686   2HB   LYS  97          HB2       LYS  97   7.151 -11.768 -10.545
  687   1HG   LYS  97          HG1       LYS  97   8.226 -10.587  -7.885
  688   2HG   LYS  97          HG2       LYS  97   6.933 -11.823  -8.132
  689   1HD   LYS  97          HD2       LYS  97   8.784 -13.406  -8.933
  690   2HD   LYS  97          HD1       LYS  97   9.971 -12.155  -8.384
  691   1HE   LYS  97          HE2       LYS  97   8.831 -12.258  -6.068
  692   2HE   LYS  97          HE1       LYS  97   7.844 -13.641  -6.711
  693   1HZ   LYS  97          HZ1       LYS  97   9.896 -14.831  -7.107
  694   2HZ   LYS  97          HZ2       LYS  97   9.758 -14.379  -5.475
  695   3HZ   LYS  97          HZ3       LYS  97  10.811 -13.534  -6.506
  696    H    GLU  98           HN       GLU  98  11.315 -11.249 -10.522
  697    HA   GLU  98           HA       GLU  98  12.618 -12.898 -11.174
  698   1HB   GLU  98          HB2       GLU  98   9.949 -14.209 -10.731
  699   2HB   GLU  98          HB1       GLU  98  11.255 -15.233 -11.595
  700   1HG   GLU  98          HG2       GLU  98  12.815 -14.878  -9.859
  701   2HG   GLU  98          HG1       GLU  98  11.639 -13.899  -8.883
  702    H    GLY  99           HN       GLY  99  10.836 -11.447 -13.304
  703   1HA   GLY  99          HA2       GLY  99  11.945 -10.977 -15.451
  704   2HA   GLY  99          HA1       GLY  99  12.000 -12.755 -15.737
  705    H    GLN 100           HN       GLN 100   9.218 -12.597 -14.216
  706    HA   GLN 100           HA       GLN 100   7.585 -11.872 -16.533
  707   1HB   GLN 100          HB2       GLN 100   6.146 -13.928 -16.034
  708   2HB   GLN 100          HB1       GLN 100   7.807 -14.251 -16.601
  709   1HG   GLN 100          HG2       GLN 100   7.500 -15.864 -14.979
  710   2HG   GLN 100          HG1       GLN 100   8.506 -14.664 -14.121
  711   1HE2  GLN 100          HE21      GLN 100   7.538 -13.529 -12.282
  712   2HE2  GLN 100          HE22      GLN 100   5.867 -13.886 -11.797
  713    H    ARG 101           HN       ARG 101   5.113 -11.806 -15.993
  714    HA   ARG 101           HA       ARG 101   5.028  -9.770 -13.895
  715   1HB   ARG 101          HB2       ARG 101   4.314  -9.482 -16.434
  716   2HB   ARG 101          HB1       ARG 101   2.841 -10.356 -15.973
  717   1HG   ARG 101          HG2       ARG 101   2.307  -8.024 -15.805
  718   2HG   ARG 101          HG1       ARG 101   2.510  -8.559 -14.104
  719   1HD   ARG 101          HD1       ARG 101   3.658  -6.365 -14.422
  720   2HD   ARG 101          HD2       ARG 101   4.862  -7.661 -14.104
  721    HE   ARG 101           HE       ARG 101   5.720  -7.439 -16.267
  722   1HH1  ARG 101          HH11      ARG 101   2.641  -5.617 -16.098
  723   2HH1  ARG 101          HH12      ARG 101   2.822  -4.922 -17.675
  724   1HH2  ARG 101          HH21      ARG 101   5.929  -6.500 -18.371
  725   2HH2  ARG 101          HH22      ARG 101   4.713  -5.429 -18.980
  726    H    LYS 102           HN       LYS 102   4.018 -10.018 -11.972
  727    HA   LYS 102           HA       LYS 102   2.172 -12.403 -11.751
  728   1HB   LYS 102          HB2       LYS 102   4.112 -11.187  -9.796
  729   2HB   LYS 102          HB1       LYS 102   2.587 -11.839  -9.110
  730   1HG   LYS 102          HG2       LYS 102   2.951 -14.028  -9.865
  731   2HG   LYS 102          HG1       LYS 102   4.078 -13.538 -11.169
  732   1HD   LYS 102          HD2       LYS 102   5.921 -13.214  -9.626
  733   2HD   LYS 102          HD1       LYS 102   4.823 -13.333  -8.195
  734   1HE   LYS 102          HE2       LYS 102   4.386 -15.741  -8.734
  735   2HE   LYS 102          HE1       LYS 102   5.440 -15.610 -10.201
  736   1HZ   LYS 102          HZ1       LYS 102   7.282 -15.067  -8.764
  737   2HZ   LYS 102          HZ2       LYS 102   6.595 -16.561  -8.342
  738   3HZ   LYS 102          HZ3       LYS 102   6.298 -15.190  -7.386
  739    H    TRP 103           HN       TRP 103  -0.005 -11.964 -11.588
  740    HA   TRP 103           HA       TRP 103  -0.693  -9.128 -11.104
  741   1HB   TRP 103          HB2       TRP 103  -2.177 -11.483 -12.431
  742   2HB   TRP 103          HB1       TRP 103  -3.039 -10.003 -11.897
  743    HD1  TRP 103           HD1      TRP 103  -1.155 -11.240 -14.946
  744    HE1  TRP 103           HE1      TRP 103  -1.430  -9.376 -16.727
  745    HE3  TRP 103           HE3      TRP 103  -2.474  -7.427 -11.886
  746    HZ2  TRP 103           HZ2      TRP 103  -2.155  -6.641 -16.769
  747    HZ3  TRP 103           HZ3      TRP 103  -3.029  -5.232 -12.848
  748    HH2  TRP 103           HH2      TRP 103  -2.879  -4.858 -15.265
  749    H    TYR 104           HN       TYR 104  -0.711  -8.841  -9.141
  750    HA   TYR 104           HA       TYR 104  -1.612 -10.838  -7.077
  751   1HB   TYR 104          HB1       TYR 104   0.513  -8.610  -7.303
  752   2HB   TYR 104          HB2       TYR 104  -0.005  -9.168  -5.677
  753    HD1  TYR 104           HD1      TYR 104   2.698  -9.047  -6.718
  754    HD2  TYR 104           HD2      TYR 104  -0.048 -12.293  -6.469
  755    HE1  TYR 104           HE1      TYR 104   4.531 -10.525  -6.179
  756    HE2  TYR 104           HE2      TYR 104   1.781 -13.769  -5.857
  757    HH   TYR 104           HH       TYR 104   4.004 -13.621  -4.764
  758    H    LYS 105           HN       LYS 105  -3.686 -10.162  -5.962
  759    HA   LYS 105           HA       LYS 105  -4.520  -7.578  -5.921
  760   1HB   LYS 105          HB2       LYS 105  -5.079  -9.827  -3.803
  761   2HB   LYS 105          HB1       LYS 105  -6.190  -8.524  -4.355
  762   1HG   LYS 105          HG2       LYS 105  -6.330  -9.748  -6.602
  763   2HG   LYS 105          HG1       LYS 105  -5.349 -11.072  -5.876
  764   1HD   LYS 105          HD1       LYS 105  -7.043 -11.356  -4.071
  765   2HD   LYS 105          HD2       LYS 105  -8.020 -10.019  -4.767
  766   1HE   LYS 105          HE2       LYS 105  -8.331 -11.332  -6.896
  767   2HE   LYS 105          HE1       LYS 105  -7.367 -12.693  -6.190
  768   1HZ   LYS 105          HZ1       LYS 105  -9.003 -12.869  -4.441
  769   2HZ   LYS 105          HZ2       LYS 105  -9.719 -13.040  -5.972
  770   3HZ   LYS 105          HZ3       LYS 105  -9.907 -11.592  -5.103
  771    H    ARG 106           HN       ARG 106  -4.395  -6.116  -4.192
  772    HA   ARG 106           HA       ARG 106  -2.184  -5.206  -3.523
  773   1HB   ARG 106          HB1       ARG 106  -4.516  -4.274  -2.965
  774   2HB   ARG 106          HB2       ARG 106  -4.381  -5.062  -1.365
  775   1HG   ARG 106          HG1       ARG 106  -3.894  -2.740  -1.106
  776   2HG   ARG 106          HG2       ARG 106  -2.308  -3.549  -0.971
  777   1HD   ARG 106          HD1       ARG 106  -3.433  -2.067  -3.448
  778   2HD   ARG 106          HD2       ARG 106  -2.305  -1.355  -2.241
  779    HE   ARG 106           HE       ARG 106  -1.577  -2.837  -4.551
  780   1HH1  ARG 106          HH11      ARG 106  -0.642  -2.867  -1.088
  781   2HH1  ARG 106          HH12      ARG 106   1.034  -3.145  -1.429
  782   1HH2  ARG 106          HH21      ARG 106   0.660  -3.172  -4.954
  783   2HH2  ARG 106          HH22      ARG 106   1.776  -3.321  -3.637
  784    H    MET 107           HN       MET 107  -3.473  -7.447  -1.151
  785    HA   MET 107           HA       MET 107  -1.374  -7.321   0.729
  786   1HB   MET 107          HB1       MET 107  -2.424  -9.285   1.804
  787   2HB   MET 107          HB2       MET 107  -3.566  -7.956   1.427
  788   1HG   MET 107          HG2       MET 107  -4.138  -9.319  -0.759
  789   2HG   MET 107          HG1       MET 107  -3.260 -10.679   0.013
  790   1HE   MET 107          HE1       MET 107  -5.868 -11.860  -0.438
  791   2HE   MET 107          HE2       MET 107  -6.420 -10.230  -0.967
  792   3HE   MET 107          HE3       MET 107  -7.346 -11.133   0.285
  793    H    ALA 108           HN       ALA 108  -1.131  -8.801  -2.358
  794    HA   ALA 108           HA       ALA 108   1.072 -10.477  -1.390
  795   1HB   ALA 108          HB1       ALA 108  -0.467 -11.718  -2.926
  796   2HB   ALA 108          HB2       ALA 108   1.056 -11.431  -3.853
  797   3HB   ALA 108          HB3       ALA 108  -0.374 -10.390  -4.123
  798    H    VAL 109           HN       VAL 109   1.014  -7.520  -2.127
  799    HA   VAL 109           HA       VAL 109   3.749  -7.330  -2.691
  800    HB   VAL 109           HB       VAL 109   3.009  -5.028  -4.021
  801   1HG1  VAL 109          HG11      VAL 109   4.133  -6.128  -5.802
  802   2HG1  VAL 109          HG12      VAL 109   3.820  -7.771  -5.069
  803   3HG1  VAL 109          HG13      VAL 109   4.882  -6.563  -4.275
  804   1HG2  VAL 109          HG21      VAL 109   0.569  -5.948  -4.108
  805   2HG2  VAL 109          HG22      VAL 109   1.207  -7.315  -5.085
  806   3HG2  VAL 109          HG23      VAL 109   1.338  -5.621  -5.704
  807    H    ILE 110           HN       ILE 110   4.641  -6.121  -1.492
  808    HA   ILE 110           HA       ILE 110   3.228  -4.051   0.169
  809    HB   ILE 110           HB       ILE 110   4.119  -4.644   2.213
  810   1HG1  ILE 110          HG12      ILE 110   4.560  -7.390   2.248
  811   2HG1  ILE 110          HG11      ILE 110   5.374  -6.968   0.716
  812   1HG2  ILE 110          HG21      ILE 110   2.525  -6.396   2.829
  813   2HG2  ILE 110          HG22      ILE 110   2.364  -6.902   1.115
  814   3HG2  ILE 110          HG23      ILE 110   1.790  -5.268   1.630
  815   1HD1  ILE 110          HD11      ILE 110   6.683  -5.182   2.184
  816   2HD1  ILE 110          HD12      ILE 110   7.042  -6.920   2.428
  817   3HD1  ILE 110          HD13      ILE 110   5.972  -6.040   3.597
  818    H    LEU 111           HN       LEU 111   5.123  -3.066   1.879
  819    HA   LEU 111           HA       LEU 111   7.559  -2.591   0.349
  820   1HB   LEU 111          HB1       LEU 111   7.318  -0.210   0.201
  821   2HB   LEU 111          HB2       LEU 111   5.867  -0.968  -0.520
  822    HG   LEU 111           HG       LEU 111   6.036   0.357   2.239
  823   1HD1  LEU 111          HD21      LEU 111   4.443   1.120  -0.245
  824   2HD1  LEU 111          HD22      LEU 111   6.188   1.600   0.070
  825   3HD1  LEU 111          HD23      LEU 111   4.858   2.201   1.143
  826   1HD2  LEU 111          HD11      LEU 111   3.648  -1.009   0.820
  827   2HD2  LEU 111          HD12      LEU 111   3.491   0.160   2.201
  828   3HD2  LEU 111          HD13      LEU 111   4.358  -1.326   2.478
  829    H    SER 112           HN       SER 112   9.296  -1.633   1.381
  830    HA   SER 112           HA       SER 112   9.666  -1.964   4.194
  831   1HB   SER 112          HB1       SER 112  12.069  -1.334   3.315
  832   2HB   SER 112          HB2       SER 112  11.311  -2.820   2.668
  833    HG   SER 112           HG       SER 112  12.082  -1.667   0.886
  834    H    LEU 113           HN       LEU 113  10.649   0.012   5.615
  835    HA   LEU 113           HA       LEU 113   9.291   2.389   4.937
  836   1HB   LEU 113          HB1       LEU 113  11.518   3.304   6.580
  837   2HB   LEU 113          HB2       LEU 113   9.780   3.741   6.461
  838    HG   LEU 113           HG       LEU 113  10.297   3.053   8.661
  839   1HD1  LEU 113          HD11      LEU 113   8.199   2.157   8.306
  840   2HD1  LEU 113          HD12      LEU 113   9.089   0.820   9.088
  841   3HD1  LEU 113          HD13      LEU 113   8.805   0.763   7.307
  842   1HD2  LEU 113          HD21      LEU 113  11.752   0.593   7.611
  843   2HD2  LEU 113          HD22      LEU 113  11.340   0.895   9.349
  844   3HD2  LEU 113          HD23      LEU 113  12.451   2.033   8.434
  845    H    GLU 114           HN       GLU 114  12.518   1.550   3.693
  846    HA   GLU 114           HA       GLU 114  12.658   4.338   2.705
  847   1HB   GLU 114          HB1       GLU 114  14.826   2.604   3.289
  848   2HB   GLU 114          HB2       GLU 114  14.960   3.317   1.644
  849   1HG   GLU 114          HG2       GLU 114  14.331   5.615   2.615
  850   2HG   GLU 114          HG1       GLU 114  14.319   4.828   4.259
  851    H    GLN 115           HN       GLN 115  11.213   1.580   1.433
  852    HA   GLN 115           HA       GLN 115  11.108   2.902  -1.196
  853   1HB   GLN 115          HB2       GLN 115  10.680   0.176  -0.495
  854   2HB   GLN 115          HB1       GLN 115   9.093   0.827  -1.091
  855   1HG   GLN 115          HG1       GLN 115  10.034   0.196  -3.094
  856   2HG   GLN 115          HG2       GLN 115  10.495   1.938  -3.041
  857   1HE2  GLN 115          HE21      GLN 115  11.893   0.724  -4.692
  858   2HE2  GLN 115          HE22      GLN 115  13.062  -0.440  -4.145
  859    H    GLY 116           HN       GLY 116   9.219   2.528   1.813
  860   1HA   GLY 116          HA2       GLY 116   6.910   3.951   0.994
  861   2HA   GLY 116          HA1       GLY 116   7.543   3.456   2.579
  862    H    ASN 117           HN       ASN 117   9.741   4.971   3.153
  863    HA   ASN 117           HA       ASN 117   8.604   7.563   3.617
  864   1HB   ASN 117          HB1       ASN 117  11.438   6.783   4.338
  865   2HB   ASN 117          HB2       ASN 117  10.533   8.234   4.879
  866   1HD2  ASN 117          HD21      ASN 117  11.603   6.345   6.689
  867   2HD2  ASN 117          HD22      ASN 117  10.203   5.833   7.633
  868    H    ARG 118           HN       ARG 118  10.603   6.276   1.132
  869    HA   ARG 118           HA       ARG 118  11.827   8.643   0.275
  870   1HB   ARG 118          HB1       ARG 118  12.289   7.542  -1.826
  871   2HB   ARG 118          HB2       ARG 118  12.536   6.403  -0.481
  872   1HG   ARG 118          HG2       ARG 118  11.193   4.937  -1.545
  873   2HG   ARG 118          HG1       ARG 118   9.787   6.005  -1.204
  874   1HD   ARG 118          HD1       ARG 118   9.763   5.451  -3.548
  875   2HD   ARG 118          HD2       ARG 118  10.315   7.182  -3.470
  876    HE   ARG 118           HE       ARG 118  12.684   5.650  -3.387
  877   1HH1  ARG 118          HH11      ARG 118   9.943   5.943  -5.666
  878   2HH1  ARG 118          HH12      ARG 118  10.878   5.491  -7.052
  879   1HH2  ARG 118          HH21      ARG 118  13.917   5.042  -5.264
  880   2HH2  ARG 118          HH22      ARG 118  13.162   4.975  -6.822
  881    H    LEU 119           HN       LEU 119   8.663   7.227   0.034
  882    HA   LEU 119           HA       LEU 119   7.358   8.842  -2.036
  883   1HB   LEU 119          HB2       LEU 119   6.949   6.233  -1.428
  884   2HB   LEU 119          HB1       LEU 119   6.008   6.817  -0.106
  885    HG   LEU 119           HG       LEU 119   5.495   8.027  -2.826
  886   1HD1  LEU 119          HD11      LEU 119   4.256   5.354  -1.969
  887   2HD1  LEU 119          HD12      LEU 119   5.738   5.517  -2.997
  888   3HD1  LEU 119          HD13      LEU 119   4.156   6.168  -3.585
  889   1HD2  LEU 119          HD21      LEU 119   4.016   8.718  -0.916
  890   2HD2  LEU 119          HD22      LEU 119   3.672   6.977  -0.538
  891   3HD2  LEU 119          HD23      LEU 119   3.122   7.661  -2.100
  892    H    ARG 120           HN       ARG 120   7.438   8.480   1.495
  893    HA   ARG 120           HA       ARG 120   5.120   9.509   1.890
  894   1HB   ARG 120          HB1       ARG 120   5.797   9.695   4.376
  895   2HB   ARG 120          HB2       ARG 120   6.902   8.425   3.786
  896   1HG   ARG 120          HG2       ARG 120   8.677  10.297   3.688
  897   2HG   ARG 120          HG1       ARG 120   7.478  11.459   4.310
  898   1HD   ARG 120          HD2       ARG 120   8.256   8.889   5.805
  899   2HD   ARG 120          HD1       ARG 120   8.990  10.520   6.086
  900    HE   ARG 120           HE       ARG 120   6.619  11.365   6.534
  901   1HH1  ARG 120          HH11      ARG 120   7.438   7.944   7.215
  902   2HH1  ARG 120          HH12      ARG 120   6.237   7.782   8.454
  903   1HH2  ARG 120          HH21      ARG 120   5.038  11.115   8.186
  904   2HH2  ARG 120          HH22      ARG 120   4.859   9.603   9.011
  905    H    GLU 121           HN       GLU 121   7.663  11.538   1.247
  906    HA   GLU 121           HA       GLU 121   6.497  14.065   2.022
  907   1HB   GLU 121          HB1       GLU 121   8.886  14.718   1.040
  908   2HB   GLU 121          HB2       GLU 121   8.743  13.921   2.634
  909   1HG   GLU 121          HG1       GLU 121   9.432  11.709   1.778
  910   2HG   GLU 121          HG2       GLU 121   9.340  12.318   0.073
  911    H    GLN 122           HN       GLN 122   6.704  11.985  -0.864
  912    HA   GLN 122           HA       GLN 122   6.045  14.233  -2.628
  913   1HB   GLN 122          HB1       GLN 122   6.691  12.705  -4.548
  914   2HB   GLN 122          HB2       GLN 122   7.975  13.409  -3.548
  915   1HG   GLN 122          HG1       GLN 122   8.300  11.238  -2.358
  916   2HG   GLN 122          HG2       GLN 122   7.044  10.443  -3.400
  917   1HE2  GLN 122          HE21      GLN 122  10.063   9.983  -3.122
  918   2HE2  GLN 122          HE22      GLN 122  10.687  10.151  -4.776
  919    H    TYR 123           HN       TYR 123   4.802  10.812  -1.804
  920    HA   TYR 123           HA       TYR 123   2.413  11.770  -3.440
  921   1HB   TYR 123          HB1       TYR 123   3.422   8.890  -3.646
  922   2HB   TYR 123          HB2       TYR 123   2.153   9.668  -4.632
  923    HD1  TYR 123           HD1      TYR 123   3.293  12.083  -5.666
  924    HD2  TYR 123           HD2      TYR 123   5.231   8.391  -4.795
  925    HE1  TYR 123           HE1      TYR 123   5.136  12.682  -7.155
  926    HE2  TYR 123           HE2      TYR 123   7.035   8.969  -6.256
  927    HH   TYR 123           HH       TYR 123   7.991  11.361  -7.013
  928    H    GLY 124           HN       GLY 124   2.738  10.915   0.013
  929   1HA   GLY 124          HA2       GLY 124   0.121  10.289   0.052
  930   2HA   GLY 124          HA1       GLY 124   1.001   8.699  -0.255
  931    H    LEU 125           HN       LEU 125   2.949   8.455   0.864
  932    HA   LEU 125           HA       LEU 125   2.237   7.704   3.227
  933   1HB   LEU 125          HB1       LEU 125   4.083   7.092   1.486
  934   2HB   LEU 125          HB2       LEU 125   5.135   7.447   2.807
  935    HG   LEU 125           HG       LEU 125   4.806   5.271   3.477
  936   1HD1  LEU 125          HD11      LEU 125   2.791   4.517   4.599
  937   2HD1  LEU 125          HD12      LEU 125   1.930   6.039   4.272
  938   3HD1  LEU 125          HD13      LEU 125   3.373   6.089   5.254
  939   1HD2  LEU 125          HD21      LEU 125   2.555   5.424   1.511
  940   2HD2  LEU 125          HD22      LEU 125   3.408   3.892   2.063
  941   3HD2  LEU 125          HD23      LEU 125   4.288   5.060   1.059
  942    H    GLY 126           HN       GLY 126   2.392  10.715   3.347
  943   1HA   GLY 126          HA2       GLY 126   1.854  10.352   6.073
  944   2HA   GLY 126          HA1       GLY 126   3.519  11.027   6.046
  945    HA   PRO 127           HA       PRO 127   0.924  14.789   5.066
  946   1HB   PRO 127          HB2       PRO 127  -1.736  15.020   5.576
  947   2HB   PRO 127          HB1       PRO 127  -1.141  14.076   4.159
  948   1HG   PRO 127          HG2       PRO 127  -1.991  12.994   6.891
  949   2HG   PRO 127          HG1       PRO 127  -2.560  12.475   5.277
  950   1HD   PRO 127          HD1       PRO 127  -0.390  11.203   6.615
  951   2HD   PRO 127          HD2       PRO 127  -0.503  11.288   4.798
  952    H    TYR 128           HN       TYR 128   0.813  13.009   8.018
  953    HA   TYR 128           HA       TYR 128   0.899  15.432   9.710
  954   1HB   TYR 128          HB1       TYR 128  -1.026  13.693  10.058
  955   2HB   TYR 128          HB2       TYR 128   0.223  12.528  10.579
  956    HD1  TYR 128           HD1      TYR 128  -1.482  15.720  11.335
  957    HD2  TYR 128           HD2      TYR 128   1.254  12.777  12.778
  958    HE1  TYR 128           HE1      TYR 128  -1.677  16.640  13.604
  959    HE2  TYR 128           HE2      TYR 128   1.051  13.695  15.038
  960    HH   TYR 128           HH       TYR 128  -0.108  15.161  16.394
  961    H    GLU 129           HN       GLU 129   3.058  15.869  10.260
  962    HA   GLU 129           HA       GLU 129   4.941  13.649  10.662
  963   1HB   GLU 129          HB2       GLU 129   5.423  16.152   8.923
  964   2HB   GLU 129          HB1       GLU 129   6.721  15.030   9.485
  965   1HG   GLU 129          HG2       GLU 129   5.621  13.141   8.249
  966   2HG   GLU 129          HG1       GLU 129   4.391  14.289   7.606
  Start of MODEL    3
    1    H    ASN   7           HN       ASN   7 -14.618  13.275  -5.618
    2    HA   ASN   7           HA       ASN   7 -15.643  11.317  -5.124
    3   1HB   ASN   7          HB2       ASN   7 -16.314  11.699  -7.509
    4   2HB   ASN   7          HB1       ASN   7 -14.915  10.779  -8.109
    5   1HD2  ASN   7          HD21      ASN   7 -15.036   8.383  -7.998
    6   2HD2  ASN   7          HD22      ASN   7 -16.588   7.626  -7.549
    7    H    SER   8           HN       SER   8 -13.409   9.846  -7.403
    8    HA   SER   8           HA       SER   8 -12.818   7.618  -5.950
    9   1HB   SER   8          HB1       SER   8 -11.380   8.654  -8.461
   10   2HB   SER   8          HB2       SER   8 -11.639   6.935  -7.965
   11    HG   SER   8           HG       SER   8 -13.128   7.577  -9.542
   12    H    PHE   9           HN       PHE   9 -11.869   9.611  -4.309
   13    HA   PHE   9           HA       PHE   9  -8.974   8.985  -4.083
   14   1HB   PHE   9          HB2       PHE   9  -9.740  11.596  -4.375
   15   2HB   PHE   9          HB1       PHE   9 -10.408  11.353  -2.708
   16    HD1  PHE   9           HD1      PHE   9  -9.253  13.173  -2.000
   17    HD2  PHE   9           HD2      PHE   9  -7.090   9.796  -3.478
   18    HE1  PHE   9           HE1      PHE   9  -7.249  13.994  -0.914
   19    HE2  PHE   9           HE2      PHE   9  -5.068  10.650  -2.427
   20    HZ   PHE   9           HZ       PHE   9  -5.107  12.774  -1.172
   21    H    VAL  10           HN       VAL  10 -11.773   9.840  -2.010
   22    HA   VAL  10           HA       VAL  10 -10.802   8.226   0.039
   23    HB   VAL  10           HB       VAL  10 -12.994   8.598   1.143
   24   1HG1  VAL  10          HG11      VAL  10 -11.300  10.802  -0.202
   25   2HG1  VAL  10          HG12      VAL  10 -10.866   9.904   1.282
   26   3HG1  VAL  10          HG13      VAL  10 -12.281  11.037   1.303
   27   1HG2  VAL  10          HG21      VAL  10 -14.425  10.296   0.095
   28   2HG2  VAL  10          HG22      VAL  10 -14.343   8.893  -1.066
   29   3HG2  VAL  10          HG23      VAL  10 -13.374  10.387  -1.373
   30    H    GLY  11           HN       GLY  11 -11.389   6.907  -2.507
   31   1HA   GLY  11          HA2       GLY  11 -12.117   4.204  -1.536
   32   2HA   GLY  11          HA1       GLY  11 -12.335   4.831  -3.289
   33    H    LEU  12           HN       LEU  12  -9.617   5.963  -1.641
   34    HA   LEU  12           HA       LEU  12  -7.510   5.371  -2.999
   35   1HB   LEU  12          HB1       LEU  12  -8.270   6.428  -0.557
   36   2HB   LEU  12          HB2       LEU  12  -7.024   5.338   0.037
   37    HG   LEU  12           HG       LEU  12  -5.327   6.814  -0.562
   38   1HD1  LEU  12          HD21      LEU  12  -6.674   7.700  -3.131
   39   2HD1  LEU  12          HD22      LEU  12  -5.278   6.554  -2.951
   40   3HD1  LEU  12          HD23      LEU  12  -5.091   8.249  -2.394
   41   1HD2  LEU  12          HD11      LEU  12  -7.848   8.633  -0.894
   42   2HD2  LEU  12          HD12      LEU  12  -6.299   9.080  -0.188
   43   3HD2  LEU  12          HD13      LEU  12  -7.338   7.797   0.621
   44    H    ARG  13           HN       ARG  13  -5.476   4.480  -2.289
   45    HA   ARG  13           HA       ARG  13  -5.607   1.539  -1.905
   46   1HB   ARG  13          HB2       ARG  13  -3.814   3.335  -3.648
   47   2HB   ARG  13          HB1       ARG  13  -3.597   1.564  -3.466
   48   1HG   ARG  13          HG2       ARG  13  -5.391   1.075  -4.860
   49   2HG   ARG  13          HG1       ARG  13  -6.343   2.509  -4.364
   50   1HD   ARG  13          HD2       ARG  13  -4.821   3.993  -5.710
   51   2HD   ARG  13          HD1       ARG  13  -3.982   2.545  -6.368
   52    HE   ARG  13           HE       ARG  13  -6.649   3.585  -7.065
   53   1HH1  ARG  13          HH11      ARG  13  -4.742   0.543  -7.029
   54   2HH1  ARG  13          HH12      ARG  13  -5.686  -0.194  -8.282
   55   1HH2  ARG  13          HH21      ARG  13  -7.869   2.561  -8.729
   56   2HH2  ARG  13          HH22      ARG  13  -7.472   0.958  -9.252
   57    H    VAL  14           HN       VAL  14  -4.688   1.086   0.223
   58    HA   VAL  14           HA       VAL  14  -2.743   3.076   1.154
   59    HB   VAL  14           HB       VAL  14  -3.506   3.299   3.263
   60   1HG1  VAL  14          HG21      VAL  14  -4.480   4.560   1.191
   61   2HG1  VAL  14          HG22      VAL  14  -5.346   4.693   2.749
   62   3HG1  VAL  14          HG23      VAL  14  -5.971   3.596   1.427
   63   1HG2  VAL  14          HG11      VAL  14  -4.607   1.251   3.962
   64   2HG2  VAL  14          HG12      VAL  14  -6.058   1.790   2.989
   65   3HG2  VAL  14          HG13      VAL  14  -5.468   2.786   4.304
   66    H    VAL  15           HN       VAL  15  -1.486   2.616   2.987
   67    HA   VAL  15           HA       VAL  15  -0.322  -0.082   2.869
   68    HB   VAL  15           HB       VAL  15   1.829   1.201   3.584
   69   1HG1  VAL  15          HG21      VAL  15   1.251  -0.104   1.513
   70   2HG1  VAL  15          HG22      VAL  15   2.292   1.338   1.152
   71   3HG1  VAL  15          HG23      VAL  15   0.520   1.378   0.781
   72   1HG2  VAL  15          HG11      VAL  15   0.645   3.387   4.080
   73   2HG2  VAL  15          HG12      VAL  15   0.253   3.547   2.326
   74   3HG2  VAL  15          HG13      VAL  15   1.952   3.517   2.878
   75    H    ALA  16           HN       ALA  16   0.389  -0.978   4.822
   76    HA   ALA  16           HA       ALA  16  -0.922   0.263   7.185
   77   1HB   ALA  16          HB1       ALA  16  -1.210  -2.524   5.881
   78   2HB   ALA  16          HB2       ALA  16  -2.449  -1.358   6.243
   79   3HB   ALA  16          HB3       ALA  16  -1.651  -2.229   7.608
   80    H    LYS  17           HN       LYS  17   0.558   0.927   8.422
   81    HA   LYS  17           HA       LYS  17   2.570  -0.888   9.544
   82   1HB   LYS  17          HB2       LYS  17   3.631   1.744   9.652
   83   2HB   LYS  17          HB1       LYS  17   4.177   0.400   8.604
   84   1HG   LYS  17          HG1       LYS  17   3.447   1.534   6.630
   85   2HG   LYS  17          HG2       LYS  17   1.978   2.036   7.422
   86   1HD   LYS  17          HD1       LYS  17   2.987   4.053   7.073
   87   2HD   LYS  17          HD2       LYS  17   3.250   3.737   8.817
   88   1HE   LYS  17          HE2       LYS  17   5.631   2.956   8.251
   89   2HE   LYS  17          HE1       LYS  17   5.291   3.445   6.531
   90   1HZ   LYS  17          HZ1       LYS  17   5.199   5.229   8.902
   91   2HZ   LYS  17          HZ2       LYS  17   4.892   5.672   7.291
   92   3HZ   LYS  17          HZ3       LYS  17   6.441   5.145   7.745
   93    H    TRP  18           HN       TRP  18   1.683  -1.038  11.841
   94    HA   TRP  18           HA       TRP  18   0.248   1.354  12.803
   95   1HB   TRP  18          HB2       TRP  18   0.595  -1.391  14.047
   96   2HB   TRP  18          HB1       TRP  18  -0.140  -0.006  14.897
   97    HD1  TRP  18           HD1      TRP  18  -1.111  -2.556  12.096
   98    HE1  TRP  18           HE1      TRP  18  -3.681  -2.271  11.853
   99    HE3  TRP  18           HE3      TRP  18  -1.610   1.842  14.598
  100    HZ2  TRP  18           HZ2      TRP  18  -5.653  -0.502  12.862
  101    HZ3  TRP  18           HZ3      TRP  18  -3.816   2.583  15.182
  102    HH2  TRP  18           HH2      TRP  18  -5.836   1.465  14.322
  103    H    SER  19           HN       SER  19   3.430  -0.006  13.280
  104    HA   SER  19           HA       SER  19   4.246   2.411  14.760
  105   1HB   SER  19          HB1       SER  19   5.303  -0.483  15.270
  106   2HB   SER  19          HB2       SER  19   5.992   1.028  15.980
  107    HG   SER  19           HG       SER  19   3.490   1.117  16.596
  108    H    SER  20           HN       SER  20   6.500   3.085  13.794
  109    HA   SER  20           HA       SER  20   6.813   2.040  11.112
  110   1HB   SER  20          HB1       SER  20   8.871   3.541  11.088
  111   2HB   SER  20          HB2       SER  20   7.339   4.365  11.509
  112    HG   SER  20           HG       SER  20   9.185   3.410  13.463
  113    H    ASN  21           HN       ASN  21   7.423   0.050  10.829
  114    HA   ASN  21           HA       ASN  21   9.036  -1.405  12.725
  115   1HB   ASN  21          HB1       ASN  21   6.624  -1.757  11.431
  116   2HB   ASN  21          HB2       ASN  21   7.601  -2.707  10.302
  117   1HD2  ASN  21          HD21      ASN  21   9.240  -4.309  11.943
  118   2HD2  ASN  21          HD22      ASN  21   8.260  -5.126  13.158
  119    H    GLY  22           HN       GLY  22   9.236  -0.382   9.484
  120   1HA   GLY  22          HA2       GLY  22  11.241  -0.295   8.251
  121   2HA   GLY  22          HA1       GLY  22  11.664  -1.919   8.846
  122    H    TYR  23           HN       TYR  23   8.631  -2.693   8.397
  123    HA   TYR  23           HA       TYR  23   8.238  -2.130   5.685
  124   1HB   TYR  23          HB2       TYR  23   7.518  -4.752   5.240
  125   2HB   TYR  23          HB1       TYR  23   8.853  -3.735   4.602
  126    HD1  TYR  23           HD1      TYR  23   8.390  -5.514   7.938
  127    HD2  TYR  23           HD2      TYR  23  10.659  -5.089   4.353
  128    HE1  TYR  23           HE1      TYR  23   9.954  -7.253   8.701
  129    HE2  TYR  23           HE2      TYR  23  12.177  -6.849   5.079
  130    HH   TYR  23           HH       TYR  23  12.440  -8.582   6.575
  131    H    PHE  24           HN       PHE  24   6.215  -2.324   4.719
  132    HA   PHE  24           HA       PHE  24   4.033  -2.259   6.709
  133   1HB   PHE  24          HB1       PHE  24   3.267  -0.686   4.361
  134   2HB   PHE  24          HB2       PHE  24   3.198  -0.355   6.081
  135    HD1  PHE  24           HD1      PHE  24   4.222   1.385   3.231
  136    HD2  PHE  24           HD2      PHE  24   5.847  -0.083   6.994
  137    HE1  PHE  24           HE1      PHE  24   5.872   3.028   3.246
  138    HE2  PHE  24           HE2      PHE  24   7.746   1.378   6.707
  139    HZ   PHE  24           HZ       PHE  24   7.794   2.932   4.850
  140    H    TYR  25           HN       TYR  25   2.147  -2.861   6.126
  141    HA   TYR  25           HA       TYR  25   1.670  -5.001   4.278
  142   1HB   TYR  25          HB1       TYR  25   0.001  -4.118   6.713
  143   2HB   TYR  25          HB2       TYR  25  -0.053  -5.708   5.837
  144    HD1  TYR  25           HD1      TYR  25   2.529  -6.702   5.600
  145    HD2  TYR  25           HD2      TYR  25   1.109  -4.181   8.739
  146    HE1  TYR  25           HE1      TYR  25   4.541  -7.174   6.889
  147    HE2  TYR  25           HE2      TYR  25   3.126  -4.685  10.044
  148    HH   TYR  25           HH       TYR  25   5.838  -6.311   8.573
  149    H    SER  26           HN       SER  26  -1.026  -4.738   3.950
  150    HA   SER  26           HA       SER  26  -1.327  -2.258   2.393
  151   1HB   SER  26          HB1       SER  26  -0.222  -4.529   1.521
  152   2HB   SER  26          HB2       SER  26  -1.960  -4.981   1.465
  153    HG   SER  26           HG       SER  26  -0.816  -4.015  -0.453
  154    H    GLY  27           HN       GLY  27  -3.250  -1.377   2.105
  155   1HA   GLY  27          HA2       GLY  27  -5.679  -2.199   3.428
  156   2HA   GLY  27          HA1       GLY  27  -4.825  -0.691   3.854
  157    H    LYS  28           HN       LYS  28  -7.595  -0.431   3.091
  158    HA   LYS  28           HA       LYS  28  -7.196   1.134   0.653
  159   1HB   LYS  28          HB2       LYS  28  -9.308   0.401  -0.386
  160   2HB   LYS  28          HB1       LYS  28  -8.172  -0.965  -0.157
  161   1HG   LYS  28          HG2       LYS  28  -9.390  -1.687   1.900
  162   2HG   LYS  28          HG1       LYS  28 -10.603  -0.392   1.636
  163   1HD   LYS  28          HD1       LYS  28 -11.206  -1.393  -0.574
  164   2HD   LYS  28          HD2       LYS  28  -9.923  -2.645  -0.368
  165   1HE   LYS  28          HE2       LYS  28 -11.112  -3.478   1.723
  166   2HE   LYS  28          HE1       LYS  28 -12.443  -2.298   1.390
  167   1HZ   LYS  28          HZ1       LYS  28 -12.803  -3.377  -0.722
  168   2HZ   LYS  28          HZ2       LYS  28 -12.932  -4.484   0.559
  169   3HZ   LYS  28          HZ3       LYS  28 -11.546  -4.479  -0.421
  170    H    ILE  29           HN       ILE  29  -8.490   3.441   0.807
  171    HA   ILE  29           HA       ILE  29  -9.759   3.478   3.468
  172    HB   ILE  29           HB       ILE  29  -9.655   5.460   3.970
  173   1HG1  ILE  29          HG12      ILE  29  -9.401   6.367   1.063
  174   2HG1  ILE  29          HG11      ILE  29 -10.799   6.592   2.152
  175   1HG2  ILE  29          HG21      ILE  29  -7.257   5.281   2.110
  176   2HG2  ILE  29          HG22      ILE  29  -7.400   4.277   3.610
  177   3HG2  ILE  29          HG23      ILE  29  -7.323   6.067   3.708
  178   1HD1  ILE  29          HD11      ILE  29  -9.443   7.953   3.730
  179   2HD1  ILE  29          HD12      ILE  29  -9.494   8.679   2.088
  180   3HD1  ILE  29          HD13      ILE  29  -8.019   7.828   2.636
  181    H    THR  30           HN       THR  30 -11.726   4.566   3.956
  182    HA   THR  30           HA       THR  30 -13.848   4.045   1.938
  183    HB   THR  30           HB       THR  30 -14.130   3.924   4.988
  184    HG1  THR  30           HG1      THR  30 -12.926   2.296   3.563
  185   1HG2  THR  30          HG21      THR  30 -16.001   3.156   2.634
  186   2HG2  THR  30          HG22      THR  30 -16.315   4.484   3.815
  187   3HG2  THR  30          HG23      THR  30 -16.306   2.773   4.366
  188    H    ARG  31           HN       ARG  31 -12.662   6.382   4.568
  189    HA   ARG  31           HA       ARG  31 -13.947   8.522   3.095
  190   1HB   ARG  31          HB1       ARG  31 -14.592   8.003   6.084
  191   2HB   ARG  31          HB2       ARG  31 -15.016   9.487   5.161
  192   1HG   ARG  31          HG2       ARG  31 -16.571   8.151   3.738
  193   2HG   ARG  31          HG1       ARG  31 -16.178   6.686   4.719
  194   1HD   ARG  31          HD2       ARG  31 -16.990   7.818   6.795
  195   2HD   ARG  31          HD1       ARG  31 -17.368   9.314   5.832
  196    HE   ARG  31           HE       ARG  31 -18.662   7.021   4.608
  197   1HH1  ARG  31          HH11      ARG  31 -18.906   9.096   7.509
  198   2HH1  ARG  31          HH12      ARG  31 -20.614   8.863   7.694
  199   1HH2  ARG  31          HH21      ARG  31 -20.957   6.726   4.874
  200   2HH2  ARG  31          HH22      ARG  31 -21.793   7.508   6.175
  201    H    ASP  32           HN       ASP  32 -13.103  10.643   4.120
  202    HA   ASP  32           HA       ASP  32 -10.403  10.299   5.256
  203   1HB   ASP  32          HB2       ASP  32 -10.763  11.768   3.237
  204   2HB   ASP  32          HB1       ASP  32 -11.856  12.808   4.206
  205    H    VAL  33           HN       VAL  33  -9.951  10.854   7.454
  206    HA   VAL  33           HA       VAL  33 -12.126  12.136   9.015
  207    HB   VAL  33           HB       VAL  33 -10.761  11.134  11.080
  208   1HG1  VAL  33          HG21      VAL  33 -12.996   9.654   9.566
  209   2HG1  VAL  33          HG22      VAL  33 -13.236  11.148  10.550
  210   3HG1  VAL  33          HG23      VAL  33 -12.662   9.641  11.338
  211   1HG2  VAL  33          HG11      VAL  33  -9.939   8.847  10.878
  212   2HG2  VAL  33          HG12      VAL  33  -9.303   9.571   9.443
  213   3HG2  VAL  33          HG13      VAL  33 -10.776   8.588   9.358
  214    H    GLY  34           HN       GLY  34 -11.682  14.102   9.644
  215   1HA   GLY  34          HA2       GLY  34 -10.732  16.107   9.644
  216   2HA   GLY  34          HA1       GLY  34  -9.700  15.276  10.850
  217    H    ALA  35           HN       ALA  35  -7.758  16.166  10.751
  218    HA   ALA  35           HA       ALA  35  -6.304  16.499   8.183
  219   1HB   ALA  35          HB1       ALA  35  -6.551  18.667   9.523
  220   2HB   ALA  35          HB2       ALA  35  -4.849  18.093   9.469
  221   3HB   ALA  35          HB3       ALA  35  -5.846  17.831  10.952
  222    H    GLY  36           HN       GLY  36  -5.018  15.065   7.670
  223   1HA   GLY  36          HA2       GLY  36  -3.259  13.758   7.800
  224   2HA   GLY  36          HA1       GLY  36  -3.215  13.867   9.589
  225    H    LYS  37           HN       LYS  37  -6.302  12.945   9.340
  226    HA   LYS  37           HA       LYS  37  -5.597  10.101   9.413
  227   1HB   LYS  37          HB2       LYS  37  -7.918  10.053  10.719
  228   2HB   LYS  37          HB1       LYS  37  -6.328  10.145  11.443
  229   1HG   LYS  37          HG2       LYS  37  -6.583  12.607  11.795
  230   2HG   LYS  37          HG1       LYS  37  -8.214  12.525  11.088
  231   1HD   LYS  37          HD1       LYS  37  -8.822  10.697  12.788
  232   2HD   LYS  37          HD2       LYS  37  -7.245  11.013  13.569
  233   1HE   LYS  37          HE2       LYS  37  -8.962  12.302  14.769
  234   2HE   LYS  37          HE1       LYS  37  -7.911  13.472  13.861
  235   1HZ   LYS  37          HZ1       LYS  37 -10.574  12.458  13.003
  236   2HZ   LYS  37          HZ2       LYS  37  -9.591  13.543  12.142
  237   3HZ   LYS  37          HZ3       LYS  37 -10.230  13.991  13.650
  238    H    TYR  38           HN       TYR  38  -7.026   8.452   8.945
  239    HA   TYR  38           HA       TYR  38  -8.823   8.933   6.686
  240   1HB   TYR  38          HB1       TYR  38  -6.623   6.768   6.616
  241   2HB   TYR  38          HB2       TYR  38  -7.859   7.126   5.344
  242    HD1  TYR  38           HD1      TYR  38  -7.839   9.528   4.369
  243    HD2  TYR  38           HD2      TYR  38  -4.667   8.049   6.771
  244    HE1  TYR  38           HE1      TYR  38  -6.401  11.342   3.576
  245    HE2  TYR  38           HE2      TYR  38  -3.105   9.693   5.728
  246    HH   TYR  38           HH       TYR  38  -3.056  11.320   3.839
  247    H    LYS  39           HN       LYS  39 -10.568   7.327   6.514
  248    HA   LYS  39           HA       LYS  39 -11.024   5.454   8.799
  249   1HB   LYS  39          HB1       LYS  39 -12.702   7.264   8.929
  250   2HB   LYS  39          HB2       LYS  39 -12.721   7.463   7.158
  251   1HG   LYS  39          HG1       LYS  39 -14.817   6.466   7.881
  252   2HG   LYS  39          HG2       LYS  39 -13.900   5.320   6.846
  253   1HD   LYS  39          HD2       LYS  39 -13.133   4.119   8.983
  254   2HD   LYS  39          HD1       LYS  39 -14.248   5.176   9.914
  255   1HE   LYS  39          HE2       LYS  39 -15.041   3.453   7.477
  256   2HE   LYS  39          HE1       LYS  39 -15.209   2.878   9.193
  257   1HZ   LYS  39          HZ1       LYS  39 -16.539   5.258   7.995
  258   2HZ   LYS  39          HZ2       LYS  39 -16.701   4.724   9.599
  259   3HZ   LYS  39          HZ3       LYS  39 -17.261   3.755   8.321
  260    H    LEU  40           HN       LEU  40 -10.400   3.709   8.236
  261    HA   LEU  40           HA       LEU  40 -10.644   2.993   5.399
  262   1HB   LEU  40          HB1       LEU  40  -8.222   2.667   5.237
  263   2HB   LEU  40          HB2       LEU  40  -8.517   4.291   5.926
  264    HG   LEU  40           HG       LEU  40  -7.002   3.704   7.418
  265   1HD1  LEU  40          HD11      LEU  40  -7.495   2.706   9.512
  266   2HD1  LEU  40          HD12      LEU  40  -9.073   2.135   8.864
  267   3HD1  LEU  40          HD13      LEU  40  -8.694   3.934   8.990
  268   1HD2  LEU  40          HD21      LEU  40  -6.330   1.278   7.888
  269   2HD2  LEU  40          HD22      LEU  40  -6.408   1.601   6.086
  270   3HD2  LEU  40          HD23      LEU  40  -7.706   0.712   6.900
  271    H    LEU  41           HN       LEU  41  -9.992   0.814   4.725
  272    HA   LEU  41           HA       LEU  41 -10.366  -1.030   6.999
  273   1HB   LEU  41          HB2       LEU  41 -12.340  -0.199   6.114
  274   2HB   LEU  41          HB1       LEU  41 -12.005  -0.637   4.397
  275    HG   LEU  41           HG       LEU  41 -12.310  -2.777   6.612
  276   1HD1  LEU  41          HD11      LEU  41 -14.526  -1.743   4.696
  277   2HD1  LEU  41          HD12      LEU  41 -14.481  -1.521   6.476
  278   3HD1  LEU  41          HD13      LEU  41 -14.635  -3.171   5.792
  279   1HD2  LEU  41          HD21      LEU  41 -11.257  -3.324   4.233
  280   2HD2  LEU  41          HD22      LEU  41 -12.770  -2.728   3.510
  281   3HD2  LEU  41          HD23      LEU  41 -12.815  -4.200   4.506
  282    H    PHE  42           HN       PHE  42  -9.140  -2.978   6.774
  283    HA   PHE  42           HA       PHE  42  -7.020  -2.786   4.751
  284   1HB   PHE  42          HB2       PHE  42  -7.727  -4.961   6.830
  285   2HB   PHE  42          HB1       PHE  42  -6.429  -5.216   5.594
  286    HD1  PHE  42           HD1      PHE  42  -7.169  -2.188   7.831
  287    HD2  PHE  42           HD2      PHE  42  -4.472  -5.306   6.696
  288    HE1  PHE  42           HE1      PHE  42  -5.456  -1.250   9.282
  289    HE2  PHE  42           HE2      PHE  42  -2.813  -4.414   8.240
  290    HZ   PHE  42           HZ       PHE  42  -3.272  -2.360   9.507
  291    H    ASP  43           HN       ASP  43  -6.933  -4.161   2.740
  292    HA   ASP  43           HA       ASP  43  -9.275  -4.591   1.486
  293   1HB   ASP  43          HB2       ASP  43  -8.085  -5.619  -0.348
  294   2HB   ASP  43          HB1       ASP  43  -7.198  -4.223   0.329
  295    H    ASP  44           HN       ASP  44  -8.092  -6.741   3.725
  296    HA   ASP  44           HA       ASP  44  -9.730  -9.041   3.002
  297   1HB   ASP  44          HB1       ASP  44  -8.268 -10.307   4.552
  298   2HB   ASP  44          HB2       ASP  44  -7.370  -9.401   3.295
  299    H    GLY  45           HN       GLY  45 -10.203  -6.173   4.892
  300   1HA   GLY  45          HA2       GLY  45 -12.317  -5.819   5.508
  301   2HA   GLY  45          HA1       GLY  45 -12.532  -7.516   6.168
  302    H    TYR  46           HN       TYR  46  -9.725  -5.801   7.358
  303    HA   TYR  46           HA       TYR  46 -11.121  -5.434   9.936
  304   1HB   TYR  46          HB1       TYR  46  -9.001  -6.694  10.046
  305   2HB   TYR  46          HB2       TYR  46  -8.134  -5.361   9.201
  306    HD1  TYR  46           HD1      TYR  46 -10.157  -6.042  12.309
  307    HD2  TYR  46           HD2      TYR  46  -7.205  -3.623  10.415
  308    HE1  TYR  46           HE1      TYR  46  -9.861  -4.780  14.393
  309    HE2  TYR  46           HE2      TYR  46  -6.951  -2.320  12.472
  310    HH   TYR  46           HH       TYR  46  -8.633  -3.165  15.458
  311    H    GLU  47           HN       GLU  47 -12.259  -3.462  10.049
  312    HA   GLU  47           HA       GLU  47 -10.895  -1.065   9.021
  313   1HB   GLU  47          HB1       GLU  47 -12.774  -1.216   7.854
  314   2HB   GLU  47          HB2       GLU  47 -13.794  -1.788   9.112
  315   1HG   GLU  47          HG1       GLU  47 -13.828   0.668   9.997
  316   2HG   GLU  47          HG2       GLU  47 -12.590   1.133   8.751
  317    H    CYS  48           HN       CYS  48 -10.993   0.992   9.875
  318    HA   CYS  48           HA       CYS  48 -11.308   1.241  12.716
  319   1HB   CYS  48          HB2       CYS  48  -8.659   1.708  12.849
  320   2HB   CYS  48          HB1       CYS  48  -9.283   0.037  13.039
  321    HG   CYS  48           HG       CYS  48  -8.685  -0.804  10.754
  322    H    ASP  49           HN       ASP  49 -10.105   3.527  13.207
  323    HA   ASP  49           HA       ASP  49  -9.939   5.127  10.729
  324   1HB   ASP  49          HB1       ASP  49 -10.839   6.232  13.575
  325   2HB   ASP  49          HB2       ASP  49 -10.369   7.195  12.154
  326    H    VAL  50           HN       VAL  50  -7.887   6.293  10.868
  327    HA   VAL  50           HA       VAL  50  -6.421   6.188  13.373
  328    HB   VAL  50           HB       VAL  50  -4.331   5.253  12.040
  329   1HG1  VAL  50          HG21      VAL  50  -5.762   3.849  13.494
  330   2HG1  VAL  50          HG22      VAL  50  -4.938   2.974  12.129
  331   3HG1  VAL  50          HG23      VAL  50  -6.703   3.347  12.039
  332   1HG2  VAL  50          HG11      VAL  50  -5.315   3.981   9.843
  333   2HG2  VAL  50          HG12      VAL  50  -4.704   5.675   9.763
  334   3HG2  VAL  50          HG13      VAL  50  -6.465   5.385   9.805
  335    H    LEU  51           HN       LEU  51  -4.291   7.481  13.278
  336    HA   LEU  51           HA       LEU  51  -4.484   9.633  11.342
  337   1HB   LEU  51          HB2       LEU  51  -4.020   9.758  14.002
  338   2HB   LEU  51          HB1       LEU  51  -2.353   9.264  13.583
  339    HG   LEU  51           HG       LEU  51  -2.551  11.605  14.033
  340   1HD1  LEU  51          HD21      LEU  51  -0.919  11.060  12.163
  341   2HD1  LEU  51          HD22      LEU  51  -1.557  12.739  12.111
  342   3HD1  LEU  51          HD23      LEU  51  -2.198  11.512  10.972
  343   1HD2  LEU  51          HD11      LEU  51  -4.597  11.856  11.753
  344   2HD2  LEU  51          HD12      LEU  51  -3.956  13.211  12.741
  345   3HD2  LEU  51          HD13      LEU  51  -4.964  11.930  13.519
  346    H    GLY  52           HN       GLY  52  -3.131  10.128   9.803
  347   1HA   GLY  52          HA2       GLY  52  -3.468   7.923   8.431
  348   2HA   GLY  52          HA1       GLY  52  -2.619   9.363   7.801
  349    H    LYS  53           HN       LYS  53  -0.291   9.351   9.231
  350    HA   LYS  53           HA       LYS  53   1.442   8.197   7.510
  351   1HB   LYS  53          HB1       LYS  53   3.085   8.833   9.446
  352   2HB   LYS  53          HB2       LYS  53   1.984  10.076   8.851
  353   1HG   LYS  53          HG1       LYS  53   2.331  10.117  11.320
  354   2HG   LYS  53          HG2       LYS  53   0.612  10.068  10.838
  355   1HD   LYS  53          HD2       LYS  53   0.375   7.758  11.549
  356   2HD   LYS  53          HD1       LYS  53   2.164   7.547  11.663
  357   1HE   LYS  53          HE2       LYS  53   1.001   7.529  13.852
  358   2HE   LYS  53          HE1       LYS  53   2.311   8.785  13.721
  359   1HZ   LYS  53          HZ1       LYS  53  -0.610   9.258  13.457
  360   2HZ   LYS  53          HZ2       LYS  53   0.608  10.433  13.324
  361   3HZ   LYS  53          HZ3       LYS  53   0.362   9.628  14.799
  362    H    ASP  54           HN       ASP  54  -0.317   6.227   9.044
  363    HA   ASP  54           HA       ASP  54   1.360   3.989   9.796
  364   1HB   ASP  54          HB1       ASP  54  -1.283   5.040  11.070
  365   2HB   ASP  54          HB2       ASP  54  -0.731   3.342  11.302
  366    H    ILE  55           HN       ILE  55  -2.266   4.575   9.245
  367    HA   ILE  55           HA       ILE  55  -1.959   2.749   6.944
  368    HB   ILE  55           HB       ILE  55  -4.581   2.900   8.268
  369   1HG1  ILE  55          HG11      ILE  55  -3.092   2.631  10.257
  370   2HG1  ILE  55          HG12      ILE  55  -4.127   1.234   9.902
  371   1HG2  ILE  55          HG21      ILE  55  -4.232   1.641   6.169
  372   2HG2  ILE  55          HG22      ILE  55  -4.445   0.452   7.516
  373   3HG2  ILE  55          HG23      ILE  55  -2.828   0.778   6.844
  374   1HD1  ILE  55          HD11      ILE  55  -1.837   0.576  10.693
  375   2HD1  ILE  55          HD12      ILE  55  -1.072   1.285   9.265
  376   3HD1  ILE  55          HD13      ILE  55  -2.207  -0.092   9.068
  377    H    LEU  56           HN       LEU  56  -1.646   4.050   5.311
  378    HA   LEU  56           HA       LEU  56  -3.413   6.398   4.892
  379   1HB   LEU  56          HB2       LEU  56  -1.789   7.593   5.590
  380   2HB   LEU  56          HB1       LEU  56  -0.636   6.214   5.628
  381    HG   LEU  56           HG       LEU  56  -1.033   8.220   3.344
  382   1HD1  LEU  56          HD11      LEU  56   1.093   9.024   4.295
  383   2HD1  LEU  56          HD12      LEU  56   1.098   7.742   5.494
  384   3HD1  LEU  56          HD13      LEU  56  -0.172   9.036   5.547
  385   1HD2  LEU  56          HD21      LEU  56   1.298   7.171   2.584
  386   2HD2  LEU  56          HD22      LEU  56  -0.130   6.305   2.134
  387   3HD2  LEU  56          HD23      LEU  56   0.799   5.736   3.520
  388    H    LEU  57           HN       LEU  57  -3.487   7.597   2.979
  389    HA   LEU  57           HA       LEU  57  -3.907   6.369   0.599
  390   1HB   LEU  57          HB2       LEU  57  -4.098   8.703  -0.204
  391   2HB   LEU  57          HB1       LEU  57  -4.989   8.358   1.305
  392    HG   LEU  57           HG       LEU  57  -3.604   9.643   2.663
  393   1HD1  LEU  57          HD21      LEU  57  -1.842  10.199   0.250
  394   2HD1  LEU  57          HD22      LEU  57  -1.299   9.570   1.867
  395   3HD1  LEU  57          HD23      LEU  57  -1.841  11.277   1.715
  396   1HD2  LEU  57          HD11      LEU  57  -4.093  11.907   1.641
  397   2HD2  LEU  57          HD12      LEU  57  -5.421  10.748   1.275
  398   3HD2  LEU  57          HD13      LEU  57  -4.180  11.141   0.023
  399    H    CYS  58           HN       CYS  58  -2.620   5.287  -0.567
  400    HA   CYS  58           HA       CYS  58  -0.115   6.367  -1.437
  401   1HB   CYS  58          HB1       CYS  58  -0.682   4.430   0.500
  402   2HB   CYS  58          HB2       CYS  58  -0.534   3.406  -0.932
  403    HG   CYS  58           HG       CYS  58   1.672   3.645   0.662
  404    H    ASP  59           HN       ASP  59   0.399   5.051  -3.221
  405    HA   ASP  59           HA       ASP  59  -1.606   4.729  -5.380
  406   1HB   ASP  59          HB2       ASP  59   1.168   5.658  -5.594
  407   2HB   ASP  59          HB1       ASP  59   1.064   4.149  -6.539
  408    HA   PRO  60           HA       PRO  60   0.690   3.334  -2.495
  409   1HB   PRO  60          HB2       PRO  60   2.465   1.011  -2.162
  410   2HB   PRO  60          HB1       PRO  60   1.177   1.675  -1.148
  411   1HG   PRO  60          HG2       PRO  60   0.840  -0.731  -2.587
  412   2HG   PRO  60          HG1       PRO  60  -0.472   0.328  -1.932
  413   1HD   PRO  60          HD1       PRO  60   0.662   0.229  -4.740
  414   2HD   PRO  60          HD2       PRO  60  -1.079   0.383  -4.170
  415    H    ILE  61           HN       ILE  61   3.088   1.607  -4.467
  416    HA   ILE  61           HA       ILE  61   4.729   3.924  -3.931
  417    HB   ILE  61           HB       ILE  61   5.065   0.990  -4.365
  418   1HG1  ILE  61          HG12      ILE  61   4.124   2.211  -2.155
  419   2HG1  ILE  61          HG11      ILE  61   5.434   0.997  -2.053
  420   1HG2  ILE  61          HG21      ILE  61   7.404   1.429  -3.332
  421   2HG2  ILE  61          HG22      ILE  61   7.299   3.132  -3.713
  422   3HG2  ILE  61          HG23      ILE  61   7.344   1.948  -5.083
  423   1HD1  ILE  61          HD11      ILE  61   5.318   3.460  -0.805
  424   2HD1  ILE  61          HD12      ILE  61   6.294   3.909  -2.230
  425   3HD1  ILE  61          HD13      ILE  61   6.823   2.569  -1.194
  426    HA   PRO  62           HA       PRO  62   5.321   5.769  -7.769
  427   1HB   PRO  62          HB2       PRO  62   8.248   4.731  -7.194
  428   2HB   PRO  62          HB1       PRO  62   7.829   6.363  -7.915
  429   1HG   PRO  62          HG1       PRO  62   8.321   5.661  -5.133
  430   2HG   PRO  62          HG2       PRO  62   7.368   7.040  -5.587
  431   1HD   PRO  62          HD1       PRO  62   6.570   4.724  -4.338
  432   2HD   PRO  62          HD2       PRO  62   5.473   5.977  -5.065
  433    H    LEU  63           HN       LEU  63   4.327   4.663  -9.493
  434    HA   LEU  63           HA       LEU  63   4.447   2.264 -10.285
  435   1HB   LEU  63          HB1       LEU  63   3.693   4.942 -11.475
  436   2HB   LEU  63          HB2       LEU  63   3.394   3.526 -12.526
  437    HG   LEU  63           HG       LEU  63   2.496   3.107  -9.691
  438   1HD1  LEU  63          HD21      LEU  63   1.089   5.237 -11.422
  439   2HD1  LEU  63          HD22      LEU  63   1.834   5.462  -9.783
  440   3HD1  LEU  63          HD23      LEU  63   0.396   4.421  -9.965
  441   1HD2  LEU  63          HD11      LEU  63   1.338   2.698 -12.522
  442   2HD2  LEU  63          HD12      LEU  63   0.584   2.086 -11.006
  443   3HD2  LEU  63          HD13      LEU  63   2.214   1.503 -11.511
  444    H    ASP  64           HN       ASP  64   7.282   2.913 -10.702
  445    HA   ASP  64           HA       ASP  64   7.613   0.652 -12.458
  446   1HB   ASP  64          HB2       ASP  64   7.191   2.329 -14.023
  447   2HB   ASP  64          HB1       ASP  64   8.588   3.344 -13.499
  448    H    THR  65           HN       THR  65   7.994   0.994  -9.797
  449    HA   THR  65           HA       THR  65  10.799   1.441  -9.347
  450    HB   THR  65           HB       THR  65   8.505   2.321  -7.547
  451    HG1  THR  65           HG1      THR  65   8.641   3.747  -9.014
  452   1HG2  THR  65          HG21      THR  65  11.576   2.835  -7.258
  453   2HG2  THR  65          HG22      THR  65  10.506   1.961  -6.082
  454   3HG2  THR  65          HG23      THR  65  10.298   3.708  -6.342
  455    H    GLU  66           HN       GLU  66  11.497   0.692  -7.746
  456    HA   GLU  66           HA       GLU  66  11.261  -2.055  -7.089
  457   1HB   GLU  66          HB2       GLU  66  13.438  -0.827  -7.134
  458   2HB   GLU  66          HB1       GLU  66  12.978  -0.003  -5.613
  459   1HG   GLU  66          HG2       GLU  66  12.808  -2.311  -4.493
  460   2HG   GLU  66          HG1       GLU  66  13.329  -3.059  -6.046
  461    H    VAL  67           HN       VAL  67  10.083  -2.876  -5.891
  462    HA   VAL  67           HA       VAL  67   9.116  -2.360  -3.274
  463    HB   VAL  67           HB       VAL  67   6.629  -3.136  -4.295
  464   1HG1  VAL  67          HG11      VAL  67   7.175  -2.205  -2.131
  465   2HG1  VAL  67          HG12      VAL  67   5.832  -1.371  -2.949
  466   3HG1  VAL  67          HG13      VAL  67   7.461  -0.589  -2.908
  467   1HG2  VAL  67          HG21      VAL  67   5.955  -0.998  -5.475
  468   2HG2  VAL  67          HG22      VAL  67   7.162  -1.922  -6.475
  469   3HG2  VAL  67          HG23      VAL  67   7.658  -0.463  -5.548
  470    H    THR  68           HN       THR  68   7.428  -4.201  -2.756
  471    HA   THR  68           HA       THR  68   8.714  -6.616  -3.804
  472    HB   THR  68           HB       THR  68  10.171  -5.764  -2.013
  473    HG1  THR  68           HG1      THR  68   9.635  -8.088  -1.872
  474   1HG2  THR  68          HG21      THR  68   9.286  -5.126   0.181
  475   2HG2  THR  68          HG22      THR  68   7.668  -5.756  -0.266
  476   3HG2  THR  68          HG23      THR  68   8.251  -4.268  -1.076
  477    H    ALA  69           HN       ALA  69   8.049  -8.487  -3.209
  478    HA   ALA  69           HA       ALA  69   5.137  -8.752  -3.369
  479   1HB   ALA  69          HB1       ALA  69   6.723  -9.518  -5.169
  480   2HB   ALA  69          HB2       ALA  69   5.870 -10.935  -4.433
  481   3HB   ALA  69          HB3       ALA  69   7.587 -10.527  -3.974
  482    H    LEU  70           HN       LEU  70   4.000  -9.898  -1.802
  483    HA   LEU  70           HA       LEU  70   5.440 -10.595   0.649
  484   1HB   LEU  70          HB2       LEU  70   3.209  -9.355   0.526
  485   2HB   LEU  70          HB1       LEU  70   2.522 -10.959   0.143
  486    HG   LEU  70           HG       LEU  70   2.176 -10.310   2.467
  487   1HD1  LEU  70          HD21      LEU  70   4.299 -12.453   2.780
  488   2HD1  LEU  70          HD22      LEU  70   2.657 -12.819   2.083
  489   3HD1  LEU  70          HD23      LEU  70   2.845 -12.180   3.768
  490   1HD2  LEU  70          HD11      LEU  70   3.977 -10.024   4.148
  491   2HD2  LEU  70          HD12      LEU  70   4.102  -8.817   2.814
  492   3HD2  LEU  70          HD13      LEU  70   5.219 -10.235   2.861
  493    H    SER  71           HN       SER  71   6.204 -12.317   1.012
  494    HA   SER  71           HA       SER  71   5.097 -14.922   0.768
  495   1HB   SER  71          HB1       SER  71   7.848 -14.227  -0.426
  496   2HB   SER  71          HB2       SER  71   7.481 -15.877   0.219
  497    HG   SER  71           HG       SER  71   5.890 -14.535  -1.714
  498    H    GLU  72           HN       GLU  72   6.404 -16.185   2.462
  499    HA   GLU  72           HA       GLU  72   6.391 -15.310   4.943
  500   1HB   GLU  72          HB1       GLU  72   8.711 -17.120   4.536
  501   2HB   GLU  72          HB2       GLU  72   7.100 -17.488   5.248
  502   1HG   GLU  72          HG2       GLU  72   7.899 -17.276   2.268
  503   2HG   GLU  72          HG1       GLU  72   8.060 -18.770   3.288
  504    H    ASP  73           HN       ASP  73   8.107 -15.387   6.598
  505    HA   ASP  73           HA       ASP  73   9.438 -13.084   6.816
  506   1HB   ASP  73          HB2       ASP  73   8.601 -14.716   8.612
  507   2HB   ASP  73          HB1       ASP  73  10.177 -15.552   8.481
  508    H    GLU  74           HN       GLU  74  11.215 -16.020   5.967
  509    HA   GLU  74           HA       GLU  74  13.693 -14.441   5.554
  510   1HB   GLU  74          HB2       GLU  74  13.698 -16.213   7.302
  511   2HB   GLU  74          HB1       GLU  74  13.184 -17.434   6.092
  512   1HG   GLU  74          HG2       GLU  74  15.337 -17.261   4.915
  513   2HG   GLU  74          HG1       GLU  74  15.829 -15.850   5.936
  514    H    TYR  75           HN       TYR  75  11.081 -15.140   3.774
  515    HA   TYR  75           HA       TYR  75  12.533 -16.305   1.457
  516   1HB   TYR  75          HB2       TYR  75   9.736 -16.651   2.555
  517   2HB   TYR  75          HB1       TYR  75  10.232 -17.321   0.944
  518    HD1  TYR  75           HD1      TYR  75  10.727 -17.597   4.659
  519    HD2  TYR  75           HD2      TYR  75  11.556 -19.238   0.801
  520    HE1  TYR  75           HE1      TYR  75  11.497 -19.706   5.697
  521    HE2  TYR  75           HE2      TYR  75  12.328 -21.313   1.837
  522    HH   TYR  75           HH       TYR  75  12.652 -22.447   3.736
  523    H    PHE  76           HN       PHE  76  10.025 -13.934   2.440
  524    HA   PHE  76           HA       PHE  76   9.474 -12.912  -0.104
  525   1HB   PHE  76          HB2       PHE  76   9.070 -10.509   0.878
  526   2HB   PHE  76          HB1       PHE  76   8.154 -11.903   1.432
  527    HD1  PHE  76           HD1      PHE  76   7.408 -10.803   3.274
  528    HD2  PHE  76           HD2      PHE  76  11.620 -11.266   2.853
  529    HE1  PHE  76           HE1      PHE  76   7.691 -10.179   5.604
  530    HE2  PHE  76           HE2      PHE  76  11.918 -10.599   5.171
  531    HZ   PHE  76           HZ       PHE  76   9.968 -10.044   6.585
  532    H    SER  77           HN       SER  77   9.940 -11.355  -1.559
  533    HA   SER  77           HA       SER  77  12.685 -10.237  -1.555
  534   1HB   SER  77          HB1       SER  77  13.020 -12.499  -2.451
  535   2HB   SER  77          HB2       SER  77  11.772 -12.248  -3.698
  536    HG   SER  77           HG       SER  77  13.114 -10.732  -4.675
  537    H    ALA  78           HN       ALA  78  13.158  -8.809  -3.386
  538    HA   ALA  78           HA       ALA  78  10.826  -7.153  -3.901
  539   1HB   ALA  78          HB1       ALA  78  13.717  -6.320  -4.236
  540   2HB   ALA  78          HB2       ALA  78  12.640  -5.996  -2.819
  541   3HB   ALA  78          HB3       ALA  78  12.251  -5.262  -4.384
  542    H    GLY  79           HN       GLY  79  10.509  -5.946  -5.756
  543   1HA   GLY  79          HA2       GLY  79  11.228  -6.811  -8.385
  544   2HA   GLY  79          HA1       GLY  79   9.448  -7.112  -7.827
  545    H    VAL  80           HN       VAL  80   8.988  -5.726  -9.626
  546    HA   VAL  80           HA       VAL  80   9.153  -2.869  -8.804
  547    HB   VAL  80           HB       VAL  80   9.496  -4.509 -11.332
  548   1HG1  VAL  80          HG11      VAL  80   9.420  -2.332 -12.722
  549   2HG1  VAL  80          HG12      VAL  80   8.745  -1.454 -11.307
  550   3HG1  VAL  80          HG13      VAL  80   7.794  -2.762 -12.104
  551   1HG2  VAL  80          HG21      VAL  80  11.360  -3.767  -9.861
  552   2HG2  VAL  80          HG22      VAL  80  10.827  -2.027 -10.086
  553   3HG2  VAL  80          HG23      VAL  80  11.472  -2.959 -11.494
  554    H    VAL  81           HN       VAL  81   7.460  -1.569  -8.913
  555    HA   VAL  81           HA       VAL  81   4.809  -2.789  -9.366
  556    HB   VAL  81           HB       VAL  81   5.101  -1.273  -7.339
  557   1HG1  VAL  81          HG21      VAL  81   5.878   0.916  -9.444
  558   2HG1  VAL  81          HG22      VAL  81   6.864   0.355  -8.035
  559   3HG1  VAL  81          HG23      VAL  81   5.303   1.239  -7.785
  560   1HG2  VAL  81          HG11      VAL  81   2.856  -1.119  -8.532
  561   2HG2  VAL  81          HG12      VAL  81   3.558   0.358  -9.389
  562   3HG2  VAL  81          HG13      VAL  81   3.398   0.342  -7.579
  563    H    LYS  82           HN       LYS  82   3.786  -2.416 -11.334
  564    HA   LYS  82           HA       LYS  82   5.117  -0.521 -13.193
  565   1HB   LYS  82          HB1       LYS  82   3.544  -3.159 -13.694
  566   2HB   LYS  82          HB2       LYS  82   4.100  -2.115 -15.046
  567   1HG   LYS  82          HG2       LYS  82   5.971  -3.563 -13.095
  568   2HG   LYS  82          HG1       LYS  82   5.475  -4.178 -14.693
  569   1HD   LYS  82          HD2       LYS  82   6.939  -1.489 -14.247
  570   2HD   LYS  82          HD1       LYS  82   7.743  -3.040 -14.652
  571   1HE   LYS  82          HE2       LYS  82   5.705  -1.567 -16.460
  572   2HE   LYS  82          HE1       LYS  82   7.498  -1.606 -16.664
  573   1HZ   LYS  82          HZ1       LYS  82   6.388  -3.187 -18.067
  574   2HZ   LYS  82          HZ2       LYS  82   5.691  -3.962 -16.726
  575   3HZ   LYS  82          HZ3       LYS  82   7.376  -3.981 -16.936
  576    H    GLY  83           HN       GLY  83   1.955  -2.026 -12.290
  577   1HA   GLY  83          HA2       GLY  83   0.502   0.366 -12.966
  578   2HA   GLY  83          HA1       GLY  83   0.384  -0.977 -14.176
  579    H    HIS  84           HN       HIS  84  -1.689   0.247 -12.286
  580    HA   HIS  84           HA       HIS  84  -2.613  -2.280 -11.238
  581   1HB   HIS  84          HB1       HIS  84  -3.237  -0.809  -8.990
  582   2HB   HIS  84          HB2       HIS  84  -1.760  -1.775  -9.228
  583    HD1  HIS  84           HD1      HIS  84  -2.640   1.978  -9.125
  584    HD2  HIS  84           HD2      HIS  84   0.583  -0.699  -9.066
  585    HE1  HIS  84           HE1      HIS  84  -0.478   3.268  -8.450
  586    H    ARG  85           HN       ARG  85  -4.665  -2.690 -10.588
  587    HA   ARG  85           HA       ARG  85  -6.614  -0.826 -11.838
  588   1HB   ARG  85          HB2       ARG  85  -7.501  -2.558 -13.131
  589   2HB   ARG  85          HB1       ARG  85  -5.831  -3.207 -13.036
  590   1HG   ARG  85          HG2       ARG  85  -6.656  -4.550 -10.917
  591   2HG   ARG  85          HG1       ARG  85  -8.301  -4.026 -11.352
  592   1HD   ARG  85          HD2       ARG  85  -8.152  -6.188 -12.161
  593   2HD   ARG  85          HD1       ARG  85  -8.455  -4.961 -13.471
  594    HE   ARG  85           HE       ARG  85  -5.588  -5.658 -13.202
  595   1HH1  ARG  85          HH11      ARG  85  -8.705  -6.645 -14.655
  596   2HH1  ARG  85          HH12      ARG  85  -7.977  -7.545 -15.944
  597   1HH2  ARG  85          HH21      ARG  85  -4.631  -6.893 -14.960
  598   2HH2  ARG  85          HH22      ARG  85  -5.646  -7.691 -16.114
  599    H    LYS  86           HN       LYS  86  -8.823  -1.155 -10.962
  600    HA   LYS  86           HA       LYS  86  -9.033  -3.199  -8.914
  601   1HB   LYS  86          HB2       LYS  86  -8.558  -1.482  -7.509
  602   2HB   LYS  86          HB1       LYS  86  -9.403  -0.219  -8.460
  603   1HG   LYS  86          HG2       LYS  86 -11.644  -1.121  -7.750
  604   2HG   LYS  86          HG1       LYS  86 -10.839  -2.440  -6.835
  605   1HD   LYS  86          HD2       LYS  86  -9.629  -0.603  -5.484
  606   2HD   LYS  86          HD1       LYS  86 -10.674   0.605  -6.291
  607   1HE   LYS  86          HE2       LYS  86 -11.649  -1.765  -4.539
  608   2HE   LYS  86          HE1       LYS  86 -11.556  -0.029  -4.030
  609   1HZ   LYS  86          HZ1       LYS  86 -13.762  -0.659  -4.685
  610   2HZ   LYS  86          HZ2       LYS  86 -13.231  -1.126  -6.229
  611   3HZ   LYS  86          HZ3       LYS  86 -13.141   0.502  -5.756
  612    H    GLU  87           HN       GLU  87 -10.924  -4.280  -9.117
  613    HA   GLU  87           HA       GLU  87 -12.900  -3.352 -11.118
  614   1HB   GLU  87          HB2       GLU  87 -11.389  -5.465 -11.585
  615   2HB   GLU  87          HB1       GLU  87 -12.244  -6.219 -10.230
  616   1HG   GLU  87          HG2       GLU  87 -14.443  -5.940 -11.473
  617   2HG   GLU  87          HG1       GLU  87 -13.551  -5.163 -12.833
  618    H    SER  88           HN       SER  88 -15.175  -4.086 -10.428
  619    HA   SER  88           HA       SER  88 -15.847  -3.449  -7.774
  620   1HB   SER  88          HB2       SER  88 -17.309  -3.040  -9.735
  621   2HB   SER  88          HB1       SER  88 -17.536  -4.806  -9.952
  622    HG   SER  88           HG       SER  88 -18.475  -4.816  -7.858
  623    H    GLY  89           HN       GLY  89 -14.246  -5.118  -6.855
  624   1HA   GLY  89          HA2       GLY  89 -14.602  -6.598  -4.994
  625   2HA   GLY  89          HA1       GLY  89 -15.614  -7.641  -6.053
  626    H    GLU  90           HN       GLU  90 -12.668  -6.303  -7.622
  627    HA   GLU  90           HA       GLU  90 -11.087  -8.576  -6.847
  628   1HB   GLU  90          HB2       GLU  90 -12.387  -9.450  -8.729
  629   2HB   GLU  90          HB1       GLU  90 -11.956  -8.035  -9.748
  630   1HG   GLU  90          HG2       GLU  90  -9.651  -8.577  -9.734
  631   2HG   GLU  90          HG1       GLU  90  -9.845  -9.878  -8.493
  632    H    LEU  91           HN       LEU  91  -8.793  -8.004  -7.021
  633    HA   LEU  91           HA       LEU  91  -8.286  -5.158  -7.574
  634   1HB   LEU  91          HB2       LEU  91  -8.660  -6.235  -5.031
  635   2HB   LEU  91          HB1       LEU  91  -6.926  -6.581  -5.200
  636    HG   LEU  91           HG       LEU  91  -7.262  -4.484  -4.044
  637   1HD1  LEU  91          HD21      LEU  91  -5.395  -4.421  -5.798
  638   2HD1  LEU  91          HD22      LEU  91  -6.075  -2.810  -5.351
  639   3HD1  LEU  91          HD23      LEU  91  -6.545  -3.571  -6.905
  640   1HD2  LEU  91          HD11      LEU  91  -8.583  -2.567  -5.014
  641   2HD2  LEU  91          HD12      LEU  91  -9.591  -4.026  -4.684
  642   3HD2  LEU  91          HD13      LEU  91  -9.086  -3.628  -6.361
  643    H    TYR  92           HN       TYR  92  -6.274  -4.907  -8.887
  644    HA   TYR  92           HA       TYR  92  -4.377  -7.006  -8.132
  645   1HB   TYR  92          HB1       TYR  92  -4.584  -6.556 -11.218
  646   2HB   TYR  92          HB2       TYR  92  -3.781  -7.881 -10.269
  647    HD1  TYR  92           HD1      TYR  92  -7.593  -7.374 -10.228
  648    HD2  TYR  92           HD2      TYR  92  -4.188  -9.020 -12.136
  649    HE1  TYR  92           HE1      TYR  92  -8.987  -8.618 -11.750
  650    HE2  TYR  92           HE2      TYR  92  -5.523 -10.267 -13.603
  651    HH   TYR  92           HH       TYR  92  -7.731 -10.785 -14.218
  652    H    TYR  93           HN       TYR  93  -2.375  -6.557  -8.148
  653    HA   TYR  93           HA       TYR  93  -1.457  -4.065  -9.418
  654   1HB   TYR  93          HB2       TYR  93  -0.723  -5.420  -6.758
  655   2HB   TYR  93          HB1       TYR  93   0.522  -4.467  -7.647
  656    HD1  TYR  93           HD1      TYR  93   0.813  -2.178  -6.834
  657    HD2  TYR  93           HD2      TYR  93  -3.157  -4.045  -6.871
  658    HE1  TYR  93           HE1      TYR  93  -0.324  -0.106  -6.516
  659    HE2  TYR  93           HE2      TYR  93  -4.121  -1.969  -6.239
  660    HH   TYR  93           HH       TYR  93  -2.212   1.015  -6.094
  661    H    SER  94           HN       SER  94  -0.127  -4.409 -11.140
  662    HA   SER  94           HA       SER  94   0.850  -7.081 -11.690
  663   1HB   SER  94          HB2       SER  94   1.502  -6.279 -13.929
  664   2HB   SER  94          HB1       SER  94  -0.230  -6.070 -13.541
  665    HG   SER  94           HG       SER  94   0.611  -3.747 -12.907
  666    H    ILE  95           HN       ILE  95   2.451  -7.612 -10.506
  667    HA   ILE  95           HA       ILE  95   4.604  -5.689  -9.796
  668    HB   ILE  95           HB       ILE  95   3.799  -8.321  -8.499
  669   1HG1  ILE  95          HG12      ILE  95   2.040  -6.768  -8.072
  670   2HG1  ILE  95          HG11      ILE  95   3.079  -6.778  -6.619
  671   1HG2  ILE  95          HG21      ILE  95   5.336  -7.493  -6.640
  672   2HG2  ILE  95          HG22      ILE  95   5.884  -6.149  -7.699
  673   3HG2  ILE  95          HG23      ILE  95   6.250  -7.851  -8.142
  674   1HD1  ILE  95          HD11      ILE  95   4.179  -4.614  -7.472
  675   2HD1  ILE  95          HD12      ILE  95   2.443  -4.467  -7.065
  676   3HD1  ILE  95          HD13      ILE  95   2.943  -4.553  -8.776
  677    H    GLU  96           HN       GLU  96   6.433  -5.766 -10.863
  678    HA   GLU  96           HA       GLU  96   6.870  -8.071 -12.653
  679   1HB   GLU  96          HB2       GLU  96   6.879  -5.954 -13.706
  680   2HB   GLU  96          HB1       GLU  96   8.257  -5.391 -12.682
  681   1HG   GLU  96          HG2       GLU  96   9.711  -7.210 -13.738
  682   2HG   GLU  96          HG1       GLU  96   8.293  -7.715 -14.731
  683    H    LYS  97           HN       LYS  97   7.713  -9.752 -12.080
  684    HA   LYS  97           HA       LYS  97   9.749  -9.656  -9.886
  685   1HB   LYS  97          HB1       LYS  97   7.307  -9.771  -9.083
  686   2HB   LYS  97          HB2       LYS  97   7.066 -11.026 -10.347
  687   1HG   LYS  97          HG2       LYS  97   6.869 -12.083  -8.284
  688   2HG   LYS  97          HG1       LYS  97   8.377 -12.702  -8.960
  689   1HD   LYS  97          HD2       LYS  97   8.292 -10.407  -6.901
  690   2HD   LYS  97          HD1       LYS  97   8.275 -12.150  -6.446
  691   1HE   LYS  97          HE2       LYS  97  10.450 -12.488  -7.718
  692   2HE   LYS  97          HE1       LYS  97  10.532 -10.699  -7.987
  693   1HZ   LYS  97          HZ1       LYS  97  10.498 -10.395  -5.609
  694   2HZ   LYS  97          HZ2       LYS  97  11.790 -11.392  -6.078
  695   3HZ   LYS  97          HZ3       LYS  97  10.412 -12.072  -5.354
  696    H    GLU  98           HN       GLU  98  11.314 -11.291 -10.124
  697    HA   GLU  98           HA       GLU  98  12.437 -13.055 -10.766
  698   1HB   GLU  98          HB1       GLU  98  10.621 -14.213  -9.616
  699   2HB   GLU  98          HB2       GLU  98   9.632 -14.323 -11.140
  700   1HG   GLU  98          HG2       GLU  98  10.687 -16.421 -10.391
  701   2HG   GLU  98          HG1       GLU  98  11.307 -15.965 -12.024
  702    H    GLY  99           HN       GLY  99  10.968 -11.243 -12.831
  703   1HA   GLY  99          HA2       GLY  99  12.187 -10.628 -14.857
  704   2HA   GLY  99          HA1       GLY  99  12.219 -12.367 -15.318
  705    H    GLN 100           HN       GLN 100   9.270 -11.956 -13.908
  706    HA   GLN 100           HA       GLN 100   7.904 -10.940 -16.260
  707   1HB   GLN 100          HB2       GLN 100   6.394 -13.013 -16.346
  708   2HB   GLN 100          HB1       GLN 100   8.092 -13.238 -16.848
  709   1HG   GLN 100          HG2       GLN 100   7.601 -15.170 -15.658
  710   2HG   GLN 100          HG1       GLN 100   8.615 -14.237 -14.524
  711   1HE2  GLN 100          HE21      GLN 100   7.529 -13.322 -12.568
  712   2HE2  GLN 100          HE22      GLN 100   5.947 -14.033 -12.136
  713    H    ARG 101           HN       ARG 101   5.374 -10.958 -15.939
  714    HA   ARG 101           HA       ARG 101   5.123  -9.307 -13.556
  715   1HB   ARG 101          HB1       ARG 101   3.361  -9.595 -16.049
  716   2HB   ARG 101          HB2       ARG 101   3.018  -8.494 -14.677
  717   1HG   ARG 101          HG1       ARG 101   3.848  -7.173 -16.408
  718   2HG   ARG 101          HG2       ARG 101   5.147  -7.240 -15.168
  719   1HD   ARG 101          HD1       ARG 101   6.492  -8.743 -16.585
  720   2HD   ARG 101          HD2       ARG 101   5.127  -8.989 -17.735
  721    HE   ARG 101           HE       ARG 101   6.894  -6.568 -17.404
  722   1HH1  ARG 101          HH11      ARG 101   4.068  -7.990 -19.082
  723   2HH1  ARG 101          HH12      ARG 101   4.125  -6.861 -20.396
  724   1HH2  ARG 101          HH21      ARG 101   6.950  -5.086 -19.184
  725   2HH2  ARG 101          HH22      ARG 101   5.785  -5.203 -20.459
  726    H    LYS 102           HN       LYS 102   4.205  -9.814 -11.739
  727    HA   LYS 102           HA       LYS 102   2.375 -12.173 -11.692
  728   1HB   LYS 102          HB1       LYS 102   3.552 -10.607  -9.310
  729   2HB   LYS 102          HB2       LYS 102   2.491 -12.002  -9.121
  730   1HG   LYS 102          HG2       LYS 102   5.246 -12.038 -10.543
  731   2HG   LYS 102          HG1       LYS 102   4.872 -12.283  -8.793
  732   1HD   LYS 102          HD1       LYS 102   5.474 -14.358 -10.054
  733   2HD   LYS 102          HD2       LYS 102   3.946 -14.418  -9.091
  734   1HE   LYS 102          HE1       LYS 102   2.564 -14.261 -11.129
  735   2HE   LYS 102          HE2       LYS 102   4.034 -14.007 -12.153
  736   1HZ   LYS 102          HZ1       LYS 102   4.794 -16.188 -11.500
  737   2HZ   LYS 102          HZ2       LYS 102   3.254 -16.263 -12.214
  738   3HZ   LYS 102          HZ3       LYS 102   3.418 -16.420 -10.531
  739    H    TRP 103           HN       TRP 103   0.439 -11.947 -10.604
  740    HA   TRP 103           HA       TRP 103  -0.610  -9.119 -10.668
  741   1HB   TRP 103          HB2       TRP 103  -1.719 -11.678 -11.980
  742   2HB   TRP 103          HB1       TRP 103  -2.811 -10.350 -11.536
  743    HD1  TRP 103           HD1      TRP 103  -0.682 -11.425 -14.453
  744    HE1  TRP 103           HE1      TRP 103  -1.047  -9.676 -16.337
  745    HE3  TRP 103           HE3      TRP 103  -2.280  -7.565 -11.613
  746    HZ2  TRP 103           HZ2      TRP 103  -2.006  -7.025 -16.521
  747    HZ3  TRP 103           HZ3      TRP 103  -3.056  -5.484 -12.689
  748    HH2  TRP 103           HH2      TRP 103  -2.866  -5.211 -15.116
  749    H    TYR 104           HN       TYR 104  -0.675  -8.713  -8.663
  750    HA   TYR 104           HA       TYR 104  -1.933 -10.709  -6.789
  751   1HB   TYR 104          HB2       TYR 104   0.050  -8.611  -5.758
  752   2HB   TYR 104          HB1       TYR 104  -0.608 -10.078  -5.010
  753    HD1  TYR 104           HD1      TYR 104   2.239  -8.721  -6.061
  754    HD2  TYR 104           HD2      TYR 104   0.082 -12.382  -6.393
  755    HE1  TYR 104           HE1      TYR 104   4.345  -9.935  -6.162
  756    HE2  TYR 104           HE2      TYR 104   2.203 -13.607  -6.488
  757    HH   TYR 104           HH       TYR 104   4.463 -13.452  -6.452
  758    H    LYS 105           HN       LYS 105  -3.828  -9.929  -5.718
  759    HA   LYS 105           HA       LYS 105  -4.587  -7.278  -5.720
  760   1HB   LYS 105          HB1       LYS 105  -6.111  -8.228  -3.839
  761   2HB   LYS 105          HB2       LYS 105  -6.269  -9.038  -5.398
  762   1HG   LYS 105          HG2       LYS 105  -4.413 -10.189  -3.234
  763   2HG   LYS 105          HG1       LYS 105  -6.179 -10.412  -3.159
  764   1HD   LYS 105          HD1       LYS 105  -4.420 -11.473  -5.480
  765   2HD   LYS 105          HD2       LYS 105  -5.016 -12.362  -4.055
  766   1HE   LYS 105          HE2       LYS 105  -6.492 -12.985  -5.765
  767   2HE   LYS 105          HE1       LYS 105  -7.429 -11.772  -4.806
  768   1HZ   LYS 105          HZ1       LYS 105  -5.980 -11.286  -7.363
  769   2HZ   LYS 105          HZ2       LYS 105  -6.862 -10.131  -6.483
  770   3HZ   LYS 105          HZ3       LYS 105  -7.658 -11.467  -7.167
  771    H    ARG 106           HN       ARG 106  -4.537  -5.878  -3.982
  772    HA   ARG 106           HA       ARG 106  -2.367  -4.908  -3.080
  773   1HB   ARG 106          HB2       ARG 106  -4.759  -4.893  -1.155
  774   2HB   ARG 106          HB1       ARG 106  -3.349  -3.775  -1.072
  775   1HG   ARG 106          HG1       ARG 106  -3.895  -2.987  -3.432
  776   2HG   ARG 106          HG2       ARG 106  -5.488  -3.808  -3.197
  777   1HD   ARG 106          HD2       ARG 106  -5.783  -2.469  -1.032
  778   2HD   ARG 106          HD1       ARG 106  -4.229  -1.634  -1.397
  779    HE   ARG 106           HE       ARG 106  -5.231  -0.393  -3.122
  780   1HH1  ARG 106          HH11      ARG 106  -7.553  -2.836  -1.930
  781   2HH1  ARG 106          HH12      ARG 106  -8.934  -2.046  -2.618
  782   1HH2  ARG 106          HH21      ARG 106  -7.104   0.651  -4.025
  783   2HH2  ARG 106          HH22      ARG 106  -8.677  -0.048  -3.819
  784    H    MET 107           HN       MET 107  -3.721  -7.429  -1.030
  785    HA   MET 107           HA       MET 107  -1.855  -7.319   1.087
  786   1HB   MET 107          HB1       MET 107  -2.789  -9.482   1.811
  787   2HB   MET 107          HB2       MET 107  -4.019  -8.224   1.460
  788   1HG   MET 107          HG2       MET 107  -4.135  -9.356  -0.953
  789   2HG   MET 107          HG1       MET 107  -3.307 -10.734  -0.170
  790   1HE   MET 107          HE1       MET 107  -4.629 -10.515   2.871
  791   2HE   MET 107          HE2       MET 107  -4.185 -11.984   1.921
  792   3HE   MET 107          HE3       MET 107  -5.827 -11.822   2.626
  793    H    ALA 108           HN       ALA 108  -1.301  -8.690  -2.122
  794    HA   ALA 108           HA       ALA 108   1.129  -9.964  -1.013
  795   1HB   ALA 108          HB1       ALA 108  -0.650 -10.948  -3.160
  796   2HB   ALA 108          HB2       ALA 108   0.596 -11.817  -2.201
  797   3HB   ALA 108          HB3       ALA 108   1.072 -10.949  -3.695
  798    H    VAL 109           HN       VAL 109   0.668  -7.140  -1.739
  799    HA   VAL 109           HA       VAL 109   3.279  -6.750  -2.903
  800    HB   VAL 109           HB       VAL 109   1.762  -6.294  -4.730
  801   1HG1  VAL 109          HG21      VAL 109  -0.250  -5.465  -3.599
  802   2HG1  VAL 109          HG22      VAL 109   0.372  -4.216  -4.735
  803   3HG1  VAL 109          HG23      VAL 109   0.622  -4.012  -2.970
  804   1HG2  VAL 109          HG11      VAL 109   3.905  -5.316  -4.755
  805   2HG2  VAL 109          HG12      VAL 109   3.498  -4.063  -3.517
  806   3HG2  VAL 109          HG13      VAL 109   2.767  -3.960  -5.140
  807    H    ILE 110           HN       ILE 110   4.378  -6.064  -1.499
  808    HA   ILE 110           HA       ILE 110   3.410  -4.203   0.640
  809    HB   ILE 110           HB       ILE 110   5.076  -5.196   2.190
  810   1HG1  ILE 110          HG12      ILE 110   4.806  -7.846   0.736
  811   2HG1  ILE 110          HG11      ILE 110   5.993  -6.730   0.063
  812   1HG2  ILE 110          HG21      ILE 110   2.585  -5.431   2.344
  813   2HG2  ILE 110          HG22      ILE 110   3.498  -6.805   3.065
  814   3HG2  ILE 110          HG23      ILE 110   2.703  -7.003   1.458
  815   1HD1  ILE 110          HD11      ILE 110   5.973  -7.780   2.968
  816   2HD1  ILE 110          HD12      ILE 110   7.157  -6.580   2.315
  817   3HD1  ILE 110          HD13      ILE 110   7.096  -8.261   1.648
  818    H    LEU 111           HN       LEU 111   5.379  -3.247   1.893
  819    HA   LEU 111           HA       LEU 111   7.634  -2.554   0.214
  820   1HB   LEU 111          HB2       LEU 111   6.991  -0.007   1.036
  821   2HB   LEU 111          HB1       LEU 111   6.605  -0.708  -0.541
  822    HG   LEU 111           HG       LEU 111   4.318  -0.907  -0.108
  823   1HD1  LEU 111          HD11      LEU 111   3.885  -1.886   2.043
  824   2HD1  LEU 111          HD12      LEU 111   3.434  -0.176   2.334
  825   3HD1  LEU 111          HD13      LEU 111   5.021  -0.726   2.841
  826   1HD2  LEU 111          HD21      LEU 111   5.008   1.652   1.488
  827   2HD2  LEU 111          HD22      LEU 111   3.970   1.409   0.029
  828   3HD2  LEU 111          HD23      LEU 111   5.781   1.277  -0.018
  829    H    SER 112           HN       SER 112   9.358  -1.464   1.304
  830    HA   SER 112           HA       SER 112   9.481  -1.821   4.205
  831   1HB   SER 112          HB2       SER 112  11.880  -1.916   4.055
  832   2HB   SER 112          HB1       SER 112  11.158  -3.094   2.924
  833    HG   SER 112           HG       SER 112  11.865  -1.868   1.213
  834    H    LEU 113           HN       LEU 113  11.125   0.095   5.305
  835    HA   LEU 113           HA       LEU 113   9.679   2.477   4.803
  836   1HB   LEU 113          HB2       LEU 113  12.309   2.884   6.163
  837   2HB   LEU 113          HB1       LEU 113  10.881   3.951   5.966
  838    HG   LEU 113           HG       LEU 113  10.308   1.287   7.269
  839   1HD1  LEU 113          HD21      LEU 113  12.671   1.616   8.008
  840   2HD1  LEU 113          HD22      LEU 113  11.520   1.805   9.394
  841   3HD1  LEU 113          HD23      LEU 113  12.269   3.264   8.597
  842   1HD2  LEU 113          HD11      LEU 113   8.686   3.242   7.377
  843   2HD2  LEU 113          HD12      LEU 113   9.869   4.095   8.441
  844   3HD2  LEU 113          HD13      LEU 113   9.147   2.530   8.977
  845    H    GLU 114           HN       GLU 114  13.064   1.978   3.773
  846    HA   GLU 114           HA       GLU 114  12.884   4.419   2.282
  847   1HB   GLU 114          HB2       GLU 114  15.159   2.731   2.648
  848   2HB   GLU 114          HB1       GLU 114  15.114   3.585   1.065
  849   1HG   GLU 114          HG1       GLU 114  14.511   5.755   2.209
  850   2HG   GLU 114          HG2       GLU 114  14.611   4.903   3.818
  851    H    GLN 115           HN       GLN 115  11.371   1.801   1.424
  852    HA   GLN 115           HA       GLN 115  10.842   2.308  -1.372
  853   1HB   GLN 115          HB2       GLN 115  10.453   0.206   0.561
  854   2HB   GLN 115          HB1       GLN 115   8.774   0.729   0.160
  855   1HG   GLN 115          HG1       GLN 115   9.095  -0.931  -1.387
  856   2HG   GLN 115          HG2       GLN 115   9.569   0.496  -2.379
  857   1HE2  GLN 115          HE21      GLN 115  11.578   0.376  -3.287
  858   2HE2  GLN 115          HE22      GLN 115  12.794  -0.857  -2.856
  859    H    GLY 116           HN       GLY 116   9.285   2.644   1.746
  860   1HA   GLY 116          HA2       GLY 116   6.898   4.045   1.146
  861   2HA   GLY 116          HA1       GLY 116   7.687   3.653   2.681
  862    H    ASN 117           HN       ASN 117   9.978   5.016   2.788
  863    HA   ASN 117           HA       ASN 117   9.218   7.687   3.490
  864   1HB   ASN 117          HB2       ASN 117  11.818   6.114   3.825
  865   2HB   ASN 117          HB1       ASN 117  11.717   7.878   4.212
  866   1HD2  ASN 117          HD21      ASN 117  12.365   6.846   6.368
  867   2HD2  ASN 117          HD22      ASN 117  10.995   6.585   7.441
  868    H    ARG 118           HN       ARG 118  10.797   6.286   0.703
  869    HA   ARG 118           HA       ARG 118  12.001   8.637  -0.255
  870   1HB   ARG 118          HB2       ARG 118  12.158   7.533  -2.428
  871   2HB   ARG 118          HB1       ARG 118  12.657   6.422  -1.134
  872   1HG   ARG 118          HG2       ARG 118  10.975   4.936  -1.573
  873   2HG   ARG 118          HG1       ARG 118   9.710   6.125  -1.809
  874   1HD   ARG 118          HD2       ARG 118  10.109   4.910  -3.933
  875   2HD   ARG 118          HD1       ARG 118  10.657   6.617  -4.141
  876    HE   ARG 118           HE       ARG 118  12.926   5.926  -4.188
  877   1HH1  ARG 118          HH11      ARG 118  10.852   3.095  -3.481
  878   2HH1  ARG 118          HH12      ARG 118  12.128   1.948  -3.713
  879   1HH2  ARG 118          HH21      ARG 118  14.613   4.363  -4.477
  880   2HH2  ARG 118          HH22      ARG 118  14.284   2.674  -4.280
  881    H    LEU 119           HN       LEU 119   8.865   7.338  -0.124
  882    HA   LEU 119           HA       LEU 119   7.380   8.871  -2.168
  883   1HB   LEU 119          HB2       LEU 119   7.017   6.294  -1.518
  884   2HB   LEU 119          HB1       LEU 119   6.243   6.875  -0.084
  885    HG   LEU 119           HG       LEU 119   5.382   8.048  -2.735
  886   1HD1  LEU 119          HD11      LEU 119   5.610   5.530  -2.882
  887   2HD1  LEU 119          HD12      LEU 119   4.008   6.230  -3.317
  888   3HD1  LEU 119          HD13      LEU 119   4.244   5.402  -1.722
  889   1HD2  LEU 119          HD21      LEU 119   3.137   7.728  -1.719
  890   2HD2  LEU 119          HD22      LEU 119   4.179   8.812  -0.702
  891   3HD2  LEU 119          HD23      LEU 119   3.879   7.098  -0.195
  892    H    ARG 120           HN       ARG 120   7.750   8.561   1.340
  893    HA   ARG 120           HA       ARG 120   5.483   9.532   1.926
  894   1HB   ARG 120          HB1       ARG 120   6.349   9.716   4.340
  895   2HB   ARG 120          HB2       ARG 120   7.436   8.482   3.637
  896   1HG   ARG 120          HG2       ARG 120   9.100  10.449   3.278
  897   2HG   ARG 120          HG1       ARG 120   7.951  11.522   4.140
  898   1HD   ARG 120          HD2       ARG 120   8.067  10.221   6.190
  899   2HD   ARG 120          HD1       ARG 120   9.098   8.963   5.382
  900    HE   ARG 120           HE       ARG 120  10.384  11.496   5.015
  901   1HH1  ARG 120          HH11      ARG 120   9.573   9.264   7.689
  902   2HH1  ARG 120          HH12      ARG 120  10.933   9.722   8.660
  903   1HH2  ARG 120          HH21      ARG 120  12.210  12.086   6.330
  904   2HH2  ARG 120          HH22      ARG 120  12.452  11.343   7.877
  905    H    GLU 121           HN       GLU 121   7.959  11.703   1.116
  906    HA   GLU 121           HA       GLU 121   6.559  14.144   1.853
  907   1HB   GLU 121          HB2       GLU 121   8.719  15.197   1.043
  908   2HB   GLU 121          HB1       GLU 121   8.889  14.063   2.413
  909   1HG   GLU 121          HG1       GLU 121   9.699  12.237   0.929
  910   2HG   GLU 121          HG2       GLU 121   9.516  13.303  -0.519
  911    H    GLN 122           HN       GLN 122   6.736  12.046  -0.993
  912    HA   GLN 122           HA       GLN 122   6.004  14.276  -2.767
  913   1HB   GLN 122          HB2       GLN 122   6.584  12.771  -4.670
  914   2HB   GLN 122          HB1       GLN 122   7.955  13.323  -3.655
  915   1HG   GLN 122          HG1       GLN 122   8.233  11.150  -2.618
  916   2HG   GLN 122          HG2       GLN 122   6.658  10.547  -3.273
  917   1HE2  GLN 122          HE21      GLN 122   9.474  12.131  -4.969
  918   2HE2  GLN 122          HE22      GLN 122   9.569  10.839  -6.172
  919    H    TYR 123           HN       TYR 123   4.852  10.873  -1.740
  920    HA   TYR 123           HA       TYR 123   2.286  11.818  -3.086
  921   1HB   TYR 123          HB1       TYR 123   3.258   8.935  -3.344
  922   2HB   TYR 123          HB2       TYR 123   1.850   9.688  -4.151
  923    HD1  TYR 123           HD1      TYR 123   4.877   8.449  -4.713
  924    HD2  TYR 123           HD2      TYR 123   2.703  12.034  -5.456
  925    HE1  TYR 123           HE1      TYR 123   6.148   8.771  -6.668
  926    HE2  TYR 123           HE2      TYR 123   4.075  12.451  -7.432
  927    HH   TYR 123           HH       TYR 123   5.770  11.697  -8.752
  928    H    GLY 124           HN       GLY 124   3.028  10.926   0.309
  929   1HA   GLY 124          HA2       GLY 124   0.452  10.248   0.610
  930   2HA   GLY 124          HA1       GLY 124   1.244   8.671   0.225
  931    H    LEU 125           HN       LEU 125   3.408   8.436   1.472
  932    HA   LEU 125           HA       LEU 125   2.706   7.939   3.936
  933   1HB   LEU 125          HB2       LEU 125   5.139   7.363   2.477
  934   2HB   LEU 125          HB1       LEU 125   5.367   7.439   4.272
  935    HG   LEU 125           HG       LEU 125   5.011   5.247   3.758
  936   1HD1  LEU 125          HD11      LEU 125   2.242   6.225   4.770
  937   2HD1  LEU 125          HD12      LEU 125   3.684   5.801   5.678
  938   3HD1  LEU 125          HD13      LEU 125   2.845   4.535   4.730
  939   1HD2  LEU 125          HD21      LEU 125   3.534   4.336   2.058
  940   2HD2  LEU 125          HD22      LEU 125   4.559   5.582   1.374
  941   3HD2  LEU 125          HD23      LEU 125   2.834   5.986   1.737
  942    H    GLY 126           HN       GLY 126   2.895  10.976   3.637
  943   1HA   GLY 126          HA2       GLY 126   2.853  11.204   6.565
  944   2HA   GLY 126          HA1       GLY 126   4.252  12.055   5.836
  945    HA   PRO 127           HA       PRO 127   0.755  15.062   5.066
  946   1HB   PRO 127          HB2       PRO 127  -1.867  14.591   5.540
  947   2HB   PRO 127          HB1       PRO 127  -1.038  13.549   4.318
  948   1HG   PRO 127          HG2       PRO 127  -1.544  12.942   7.275
  949   2HG   PRO 127          HG1       PRO 127  -2.017  11.932   5.884
  950   1HD   PRO 127          HD1       PRO 127   0.481  11.622   7.267
  951   2HD   PRO 127          HD2       PRO 127   0.255  11.177   5.511
  952    H    TYR 128           HN       TYR 128   2.135  14.444   7.779
  953    HA   TYR 128           HA       TYR 128   0.346  15.911   9.624
  954   1HB   TYR 128          HB2       TYR 128   1.152  14.671  11.497
  955   2HB   TYR 128          HB1       TYR 128   0.581  13.535  10.240
  956    HD1  TYR 128           HD1      TYR 128   3.213  14.243  12.499
  957    HD2  TYR 128           HD2      TYR 128   2.440  12.513   8.683
  958    HE1  TYR 128           HE1      TYR 128   5.227  12.858  12.716
  959    HE2  TYR 128           HE2      TYR 128   4.464  11.166   8.879
  960    HH   TYR 128           HH       TYR 128   6.550  11.253  11.747
  961    H    GLU 129           HN       GLU 129   0.965  17.731  10.605
  962    HA   GLU 129           HA       GLU 129   3.751  18.414  10.915
  963   1HB   GLU 129          HB2       GLU 129   3.239  19.235   8.593
  964   2HB   GLU 129          HB1       GLU 129   1.854  20.178   9.222
  965   1HG   GLU 129          HG1       GLU 129   3.456  21.603  10.573
  966   2HG   GLU 129          HG2       GLU 129   4.824  20.557  10.039
  Start of MODEL    4
    1    H    ASN   7           HN       ASN   7 -10.507  13.324   1.205
    2    HA   ASN   7           HA       ASN   7 -12.565  14.336   0.658
    3   1HB   ASN   7          HB2       ASN   7 -10.329  15.947  -0.760
    4   2HB   ASN   7          HB1       ASN   7 -11.989  16.582  -0.453
    5   1HD2  ASN   7          HD21      ASN   7  -8.839  16.208   0.940
    6   2HD2  ASN   7          HD22      ASN   7  -9.324  16.696   2.591
    7    H    SER   8           HN       SER   8 -10.563  13.407  -2.022
    8    HA   SER   8           HA       SER   8 -12.944  12.624  -3.617
    9   1HB   SER   8          HB1       SER   8 -10.526  14.167  -4.724
   10   2HB   SER   8          HB2       SER   8 -11.704  13.281  -5.771
   11    HG   SER   8           HG       SER   8 -12.781  15.023  -3.896
   12    H    PHE   9           HN       PHE   9 -10.531  11.534  -1.855
   13    HA   PHE   9           HA       PHE   9  -9.905   9.209  -3.585
   14   1HB   PHE   9          HB2       PHE   9  -7.712   9.013  -2.373
   15   2HB   PHE   9          HB1       PHE   9  -7.799  10.290  -3.556
   16    HD1  PHE   9           HD1      PHE   9  -8.231  12.767  -2.602
   17    HD2  PHE   9           HD2      PHE   9  -6.928   9.387  -0.384
   18    HE1  PHE   9           HE1      PHE   9  -7.142  14.241  -0.975
   19    HE2  PHE   9           HE2      PHE   9  -5.723  10.758   1.075
   20    HZ   PHE   9           HZ       PHE   9  -5.841  13.270   0.904
   21    H    VAL  10           HN       VAL  10 -12.172   9.623  -1.802
   22    HA   VAL  10           HA       VAL  10 -11.713   7.890   0.385
   23    HB   VAL  10           HB       VAL  10 -13.786   8.208   1.109
   24   1HG1  VAL  10          HG11      VAL  10 -12.936  10.671  -0.545
   25   2HG1  VAL  10          HG12      VAL  10 -12.053  10.088   0.912
   26   3HG1  VAL  10          HG13      VAL  10 -13.765  10.719   1.029
   27   1HG2  VAL  10          HG21      VAL  10 -15.200   7.722  -0.895
   28   2HG2  VAL  10          HG22      VAL  10 -14.635   9.263  -1.669
   29   3HG2  VAL  10          HG23      VAL  10 -15.587   9.307  -0.126
   30    H    GLY  11           HN       GLY  11 -11.422   6.846  -2.513
   31   1HA   GLY  11          HA2       GLY  11 -12.042   4.065  -1.807
   32   2HA   GLY  11          HA1       GLY  11 -12.465   4.765  -3.494
   33    H    LEU  12           HN       LEU  12  -9.628   5.836  -1.751
   34    HA   LEU  12           HA       LEU  12  -7.875   4.842  -3.745
   35   1HB   LEU  12          HB1       LEU  12  -6.863   6.662  -3.722
   36   2HB   LEU  12          HB2       LEU  12  -7.705   7.133  -2.205
   37    HG   LEU  12           HG       LEU  12  -4.985   5.936  -1.760
   38   1HD1  LEU  12          HD21      LEU  12  -4.100   7.948  -2.147
   39   2HD1  LEU  12          HD22      LEU  12  -5.621   8.850  -1.929
   40   3HD1  LEU  12          HD23      LEU  12  -5.287   7.964  -3.481
   41   1HD2  LEU  12          HD11      LEU  12  -5.899   7.173   0.418
   42   2HD2  LEU  12          HD12      LEU  12  -6.887   5.803  -0.064
   43   3HD2  LEU  12          HD13      LEU  12  -7.367   7.502  -0.449
   44    H    ARG  13           HN       ARG  13  -5.515   4.416  -2.901
   45    HA   ARG  13           HA       ARG  13  -5.842   1.594  -1.981
   46   1HB   ARG  13          HB2       ARG  13  -4.184   2.976  -4.108
   47   2HB   ARG  13          HB1       ARG  13  -3.362   1.704  -3.182
   48   1HG   ARG  13          HG2       ARG  13  -4.273   0.555  -5.047
   49   2HG   ARG  13          HG1       ARG  13  -5.251   0.112  -3.621
   50   1HD   ARG  13          HD2       ARG  13  -6.786   0.385  -5.478
   51   2HD   ARG  13          HD1       ARG  13  -7.035   1.804  -4.409
   52    HE   ARG  13           HE       ARG  13  -5.960   3.239  -5.990
   53   1HH1  ARG  13          HH11      ARG  13  -5.946  -0.145  -7.165
   54   2HH1  ARG  13          HH12      ARG  13  -5.513   0.289  -8.785
   55   1HH2  ARG  13          HH21      ARG  13  -5.378   3.783  -8.169
   56   2HH2  ARG  13          HH22      ARG  13  -5.187   2.540  -9.360
   57    H    VAL  14           HN       VAL  14  -4.923   1.115   0.081
   58    HA   VAL  14           HA       VAL  14  -3.177   3.224   1.114
   59    HB   VAL  14           HB       VAL  14  -4.126   3.435   3.216
   60   1HG1  VAL  14          HG21      VAL  14  -5.046   4.780   1.201
   61   2HG1  VAL  14          HG22      VAL  14  -6.120   4.698   2.647
   62   3HG1  VAL  14          HG23      VAL  14  -6.455   3.670   1.203
   63   1HG2  VAL  14          HG11      VAL  14  -5.138   1.253   3.723
   64   2HG2  VAL  14          HG12      VAL  14  -6.408   1.584   2.466
   65   3HG2  VAL  14          HG13      VAL  14  -6.303   2.602   3.918
   66    H    VAL  15           HN       VAL  15  -1.648   2.799   2.663
   67    HA   VAL  15           HA       VAL  15  -0.775  -0.023   2.784
   68    HB   VAL  15           HB       VAL  15   1.504   0.911   3.497
   69   1HG1  VAL  15          HG21      VAL  15   2.158   0.903   1.131
   70   2HG1  VAL  15          HG22      VAL  15   0.428   1.071   0.612
   71   3HG1  VAL  15          HG23      VAL  15   0.980  -0.409   1.514
   72   1HG2  VAL  15          HG11      VAL  15   1.966   3.151   2.534
   73   2HG2  VAL  15          HG12      VAL  15   0.833   3.234   3.920
   74   3HG2  VAL  15          HG13      VAL  15   0.213   3.417   2.250
   75    H    ALA  16           HN       ALA  16   0.044  -0.819   4.823
   76    HA   ALA  16           HA       ALA  16  -1.235   0.509   7.107
   77   1HB   ALA  16          HB1       ALA  16  -1.585  -2.232   5.761
   78   2HB   ALA  16          HB2       ALA  16  -2.818  -1.094   6.288
   79   3HB   ALA  16          HB3       ALA  16  -1.937  -2.058   7.526
   80    H    LYS  17           HN       LYS  17   0.223   1.123   8.412
   81    HA   LYS  17           HA       LYS  17   2.179  -0.744   9.547
   82   1HB   LYS  17          HB2       LYS  17   3.279   1.901   9.715
   83   2HB   LYS  17          HB1       LYS  17   3.866   0.542   8.712
   84   1HG   LYS  17          HG1       LYS  17   3.100   1.591   6.686
   85   2HG   LYS  17          HG2       LYS  17   1.695   2.229   7.493
   86   1HD   LYS  17          HD1       LYS  17   2.696   4.149   7.067
   87   2HD   LYS  17          HD2       LYS  17   3.186   3.885   8.768
   88   1HE   LYS  17          HE2       LYS  17   5.457   3.042   7.900
   89   2HE   LYS  17          HE1       LYS  17   4.883   3.431   6.212
   90   1HZ   LYS  17          HZ1       LYS  17   4.635   5.712   6.885
   91   2HZ   LYS  17          HZ2       LYS  17   6.223   5.172   7.153
   92   3HZ   LYS  17          HZ3       LYS  17   5.156   5.359   8.462
   93    H    TRP  18           HN       TRP  18   1.311  -0.873  11.842
   94    HA   TRP  18           HA       TRP  18  -0.281   1.433  12.742
   95   1HB   TRP  18          HB2       TRP  18   0.220  -1.311  13.918
   96   2HB   TRP  18          HB1       TRP  18  -0.378  -0.001  14.962
   97    HD1  TRP  18           HD1      TRP  18  -1.919  -2.543  12.568
   98    HE1  TRP  18           HE1      TRP  18  -4.472  -2.016  12.682
   99    HE3  TRP  18           HE3      TRP  18  -1.644   2.048  14.693
  100    HZ2  TRP  18           HZ2      TRP  18  -6.097   0.106  13.652
  101    HZ3  TRP  18           HZ3      TRP  18  -3.643   3.109  15.428
  102    HH2  TRP  18           HH2      TRP  18  -5.886   2.188  14.886
  103    H    SER  19           HN       SER  19   2.920   0.300  13.290
  104    HA   SER  19           HA       SER  19   3.692   2.736  14.744
  105   1HB   SER  19          HB1       SER  19   3.677   0.892  16.452
  106   2HB   SER  19          HB2       SER  19   4.545  -0.204  15.321
  107    HG   SER  19           HG       SER  19   5.727   1.098  17.073
  108    H    SER  20           HN       SER  20   5.969   3.422  13.788
  109    HA   SER  20           HA       SER  20   6.383   2.242  11.156
  110   1HB   SER  20          HB1       SER  20   8.447   3.712  11.121
  111   2HB   SER  20          HB2       SER  20   6.917   4.594  11.425
  112    HG   SER  20           HG       SER  20   8.673   3.715  13.490
  113    H    ASN  21           HN       ASN  21   6.950   0.277  11.073
  114    HA   ASN  21           HA       ASN  21   8.478  -1.163  13.044
  115   1HB   ASN  21          HB1       ASN  21   6.086  -1.655  12.273
  116   2HB   ASN  21          HB2       ASN  21   6.689  -1.852  10.607
  117   1HD2  ASN  21          HD21      ASN  21   7.516  -3.407  13.886
  118   2HD2  ASN  21          HD22      ASN  21   7.427  -5.016  13.207
  119    H    GLY  22           HN       GLY  22   8.792  -0.082   9.849
  120   1HA   GLY  22          HA2       GLY  22  10.881  -0.002   8.726
  121   2HA   GLY  22          HA1       GLY  22  11.239  -1.656   9.295
  122    H    TYR  23           HN       TYR  23   8.224  -2.282   8.689
  123    HA   TYR  23           HA       TYR  23   8.142  -2.129   5.818
  124   1HB   TYR  23          HB2       TYR  23   7.365  -4.834   7.033
  125   2HB   TYR  23          HB1       TYR  23   7.565  -4.280   5.304
  126    HD1  TYR  23           HD1      TYR  23   9.322  -5.237   8.430
  127    HD2  TYR  23           HD2      TYR  23   9.712  -4.394   4.277
  128    HE1  TYR  23           HE1      TYR  23  11.598  -6.131   8.473
  129    HE2  TYR  23           HE2      TYR  23  12.020  -5.287   4.317
  130    HH   TYR  23           HH       TYR  23  13.410  -6.710   7.243
  131    H    PHE  24           HN       PHE  24   5.966  -2.229   4.844
  132    HA   PHE  24           HA       PHE  24   3.721  -1.975   6.787
  133   1HB   PHE  24          HB1       PHE  24   3.038  -0.672   4.228
  134   2HB   PHE  24          HB2       PHE  24   2.684  -0.238   5.904
  135    HD1  PHE  24           HD1      PHE  24   3.716   1.558   3.273
  136    HD2  PHE  24           HD2      PHE  24   5.342   0.164   7.037
  137    HE1  PHE  24           HE1      PHE  24   5.701   2.846   2.956
  138    HE2  PHE  24           HE2      PHE  24   7.451   1.221   6.501
  139    HZ   PHE  24           HZ       PHE  24   7.631   2.387   4.367
  140    H    TYR  25           HN       TYR  25   1.926  -2.824   6.268
  141    HA   TYR  25           HA       TYR  25   1.586  -5.110   4.493
  142   1HB   TYR  25          HB1       TYR  25   0.000  -4.216   7.007
  143   2HB   TYR  25          HB2       TYR  25   0.028  -5.867   6.258
  144    HD1  TYR  25           HD1      TYR  25   1.354  -3.864   8.875
  145    HD2  TYR  25           HD2      TYR  25   2.549  -6.863   6.081
  146    HE1  TYR  25           HE1      TYR  25   3.422  -4.234  10.142
  147    HE2  TYR  25           HE2      TYR  25   4.591  -7.228   7.368
  148    HH   TYR  25           HH       TYR  25   5.709  -5.160   9.928
  149    H    SER  26           HN       SER  26  -1.166  -5.009   4.075
  150    HA   SER  26           HA       SER  26  -1.657  -2.241   3.195
  151   1HB   SER  26          HB1       SER  26  -0.357  -3.660   1.452
  152   2HB   SER  26          HB2       SER  26  -1.937  -4.505   1.306
  153    HG   SER  26           HG       SER  26  -1.383  -1.689   0.910
  154    H    GLY  27           HN       GLY  27  -3.420  -1.676   2.039
  155   1HA   GLY  27          HA2       GLY  27  -5.922  -2.266   3.270
  156   2HA   GLY  27          HA1       GLY  27  -5.091  -0.716   3.504
  157    H    LYS  28           HN       LYS  28  -7.674  -0.811   2.901
  158    HA   LYS  28           HA       LYS  28  -7.613   0.655   0.378
  159   1HB   LYS  28          HB1       LYS  28  -9.541  -0.147  -0.713
  160   2HB   LYS  28          HB2       LYS  28  -8.395  -1.501  -0.502
  161   1HG   LYS  28          HG2       LYS  28 -10.887  -1.095   1.299
  162   2HG   LYS  28          HG1       LYS  28 -10.847  -2.023  -0.231
  163   1HD   LYS  28          HD1       LYS  28  -8.766  -3.264   0.877
  164   2HD   LYS  28          HD2       LYS  28  -9.512  -2.697   2.409
  165   1HE   LYS  28          HE2       LYS  28 -10.811  -4.456   0.195
  166   2HE   LYS  28          HE1       LYS  28 -10.340  -4.991   1.860
  167   1HZ   LYS  28          HZ1       LYS  28 -12.424  -2.977   1.179
  168   2HZ   LYS  28          HZ2       LYS  28 -11.994  -3.487   2.742
  169   3HZ   LYS  28          HZ3       LYS  28 -12.689  -4.588   1.651
  170    H    ILE  29           HN       ILE  29  -9.297   2.499   0.322
  171    HA   ILE  29           HA       ILE  29 -10.269   2.963   3.095
  172    HB   ILE  29           HB       ILE  29  -8.446   4.345   2.311
  173   1HG1  ILE  29          HG12      ILE  29 -11.072   5.840   2.929
  174   2HG1  ILE  29          HG11      ILE  29  -9.862   5.209   4.096
  175   1HG2  ILE  29          HG21      ILE  29  -8.835   6.019   0.547
  176   2HG2  ILE  29          HG22      ILE  29 -10.529   5.493   0.383
  177   3HG2  ILE  29          HG23      ILE  29  -9.208   4.386  -0.088
  178   1HD1  ILE  29          HD11      ILE  29  -9.624   7.636   3.768
  179   2HD1  ILE  29          HD12      ILE  29  -9.453   7.447   2.001
  180   3HD1  ILE  29          HD13      ILE  29  -8.162   6.806   3.088
  181    H    THR  30           HN       THR  30 -12.208   4.077   3.532
  182    HA   THR  30           HA       THR  30 -14.332   3.739   1.477
  183    HB   THR  30           HB       THR  30 -14.681   3.375   4.493
  184    HG1  THR  30           HG1      THR  30 -14.533   1.524   2.359
  185   1HG2  THR  30          HG21      THR  30 -16.536   2.854   2.053
  186   2HG2  THR  30          HG22      THR  30 -16.821   4.064   3.357
  187   3HG2  THR  30          HG23      THR  30 -16.862   2.314   3.746
  188    H    ARG  31           HN       ARG  31 -13.128   5.892   4.282
  189    HA   ARG  31           HA       ARG  31 -14.631   8.033   2.933
  190   1HB   ARG  31          HB1       ARG  31 -14.956   7.459   5.923
  191   2HB   ARG  31          HB2       ARG  31 -15.542   8.909   5.045
  192   1HG   ARG  31          HG2       ARG  31 -17.150   7.537   3.765
  193   2HG   ARG  31          HG1       ARG  31 -16.529   6.047   4.569
  194   1HD   ARG  31          HD2       ARG  31 -17.173   7.031   6.837
  195   2HD   ARG  31          HD1       ARG  31 -17.888   8.441   5.972
  196    HE   ARG  31           HE       ARG  31 -19.690   7.118   5.230
  197   1HH1  ARG  31          HH11      ARG  31 -17.236   4.968   6.708
  198   2HH1  ARG  31          HH12      ARG  31 -18.277   3.582   6.716
  199   1HH2  ARG  31          HH21      ARG  31 -21.053   5.245   5.253
  200   2HH2  ARG  31          HH22      ARG  31 -20.466   3.741   5.881
  201    H    ASP  32           HN       ASP  32 -13.726  10.182   3.667
  202    HA   ASP  32           HA       ASP  32 -11.007   9.943   4.829
  203   1HB   ASP  32          HB2       ASP  32 -10.641  12.267   4.321
  204   2HB   ASP  32          HB1       ASP  32 -11.169  11.369   2.862
  205    H    VAL  33           HN       VAL  33 -10.371  10.808   6.827
  206    HA   VAL  33           HA       VAL  33 -12.479  11.829   8.634
  207    HB   VAL  33           HB       VAL  33 -10.821  10.816  10.512
  208   1HG1  VAL  33          HG21      VAL  33 -13.176   9.367   9.147
  209   2HG1  VAL  33          HG22      VAL  33 -13.315  10.716  10.341
  210   3HG1  VAL  33          HG23      VAL  33 -12.614   9.135  10.837
  211   1HG2  VAL  33          HG11      VAL  33  -9.455   8.905   9.778
  212   2HG2  VAL  33          HG12      VAL  33 -10.080   9.197   8.183
  213   3HG2  VAL  33          HG13      VAL  33 -10.965   8.144   9.293
  214    H    GLY  34           HN       GLY  34 -11.982  13.799   9.386
  215   1HA   GLY  34          HA2       GLY  34 -11.215  15.859   8.759
  216   2HA   GLY  34          HA1       GLY  34 -10.200  15.353  10.141
  217    H    ALA  35           HN       ALA  35  -8.103  16.024   9.986
  218    HA   ALA  35           HA       ALA  35  -6.845  16.436   7.322
  219   1HB   ALA  35          HB1       ALA  35  -5.389  18.070   8.502
  220   2HB   ALA  35          HB2       ALA  35  -6.192  17.701  10.075
  221   3HB   ALA  35          HB3       ALA  35  -7.103  18.532   8.766
  222    H    GLY  36           HN       GLY  36  -5.769  14.925   6.637
  223   1HA   GLY  36          HA2       GLY  36  -4.074  13.545   6.431
  224   2HA   GLY  36          HA1       GLY  36  -3.613  13.796   8.152
  225    H    LYS  37           HN       LYS  37  -6.879  12.847   8.086
  226    HA   LYS  37           HA       LYS  37  -6.051  10.102   8.700
  227   1HB   LYS  37          HB2       LYS  37  -8.489  10.494   9.984
  228   2HB   LYS  37          HB1       LYS  37  -6.892  10.241  10.675
  229   1HG   LYS  37          HG2       LYS  37  -6.695  12.807  10.765
  230   2HG   LYS  37          HG1       LYS  37  -8.332  12.922  10.094
  231   1HD   LYS  37          HD1       LYS  37  -9.274  11.576  11.960
  232   2HD   LYS  37          HD2       LYS  37  -7.633  11.297  12.609
  233   1HE   LYS  37          HE2       LYS  37  -8.750  13.028  13.945
  234   2HE   LYS  37          HE1       LYS  37  -7.347  13.759  13.058
  235   1HZ   LYS  37          HZ1       LYS  37 -10.210  13.907  12.267
  236   2HZ   LYS  37          HZ2       LYS  37  -8.904  14.583  11.419
  237   3HZ   LYS  37          HZ3       LYS  37  -9.286  15.144  12.976
  238    H    TYR  38           HN       TYR  38  -7.317   8.342   8.407
  239    HA   TYR  38           HA       TYR  38  -8.941   8.361   5.935
  240   1HB   TYR  38          HB1       TYR  38  -6.461   6.658   6.609
  241   2HB   TYR  38          HB2       TYR  38  -7.504   6.404   5.156
  242    HD1  TYR  38           HD1      TYR  38  -8.020   9.003   4.046
  243    HD2  TYR  38           HD2      TYR  38  -4.569   7.913   6.219
  244    HE1  TYR  38           HE1      TYR  38  -6.841  10.820   3.036
  245    HE2  TYR  38           HE2      TYR  38  -3.217   9.544   4.940
  246    HH   TYR  38           HH       TYR  38  -3.429  11.217   3.095
  247    H    LYS  39           HN       LYS  39 -10.862   6.906   6.020
  248    HA   LYS  39           HA       LYS  39 -11.205   5.107   8.389
  249   1HB   LYS  39          HB1       LYS  39 -12.965   6.724   8.658
  250   2HB   LYS  39          HB2       LYS  39 -13.013   7.095   6.917
  251   1HG   LYS  39          HG1       LYS  39 -15.083   5.949   7.582
  252   2HG   LYS  39          HG2       LYS  39 -14.156   4.986   6.397
  253   1HD   LYS  39          HD2       LYS  39 -13.314   3.831   8.838
  254   2HD   LYS  39          HD1       LYS  39 -14.999   4.346   9.174
  255   1HE   LYS  39          HE1       LYS  39 -15.320   2.182   8.238
  256   2HE   LYS  39          HE2       LYS  39 -15.528   3.256   6.779
  257   1HZ   LYS  39          HZ1       LYS  39 -14.191   1.395   6.295
  258   2HZ   LYS  39          HZ2       LYS  39 -13.068   1.813   7.499
  259   3HZ   LYS  39          HZ3       LYS  39 -13.299   2.835   6.163
  260    H    LEU  40           HN       LEU  40 -10.557   3.393   7.911
  261    HA   LEU  40           HA       LEU  40 -10.930   2.482   5.156
  262   1HB   LEU  40          HB1       LEU  40  -8.450   2.214   4.971
  263   2HB   LEU  40          HB2       LEU  40  -8.792   3.871   5.542
  264    HG   LEU  40           HG       LEU  40  -7.301   3.490   7.101
  265   1HD1  LEU  40          HD11      LEU  40  -8.931   3.655   8.695
  266   2HD1  LEU  40          HD12      LEU  40  -7.619   2.573   9.211
  267   3HD1  LEU  40          HD13      LEU  40  -9.162   1.816   8.676
  268   1HD2  LEU  40          HD21      LEU  40  -6.622   1.276   5.853
  269   2HD2  LEU  40          HD22      LEU  40  -7.815   0.426   6.834
  270   3HD2  LEU  40          HD23      LEU  40  -6.436   1.152   7.683
  271    H    LEU  41           HN       LEU  41 -10.037   0.251   4.652
  272    HA   LEU  41           HA       LEU  41 -10.006  -1.347   7.100
  273   1HB   LEU  41          HB2       LEU  41 -12.162  -1.086   6.266
  274   2HB   LEU  41          HB1       LEU  41 -11.786  -1.609   4.581
  275    HG   LEU  41           HG       LEU  41 -11.670  -3.476   7.057
  276   1HD1  LEU  41          HD11      LEU  41 -14.034  -2.771   6.453
  277   2HD1  LEU  41          HD12      LEU  41 -13.743  -4.510   6.116
  278   3HD1  LEU  41          HD13      LEU  41 -13.771  -3.321   4.761
  279   1HD2  LEU  41          HD21      LEU  41 -10.340  -4.619   5.558
  280   2HD2  LEU  41          HD22      LEU  41 -10.939  -3.731   4.120
  281   3HD2  LEU  41          HD23      LEU  41 -11.907  -5.086   4.793
  282    H    PHE  42           HN       PHE  42  -8.591  -3.218   6.956
  283    HA   PHE  42           HA       PHE  42  -6.491  -2.637   5.026
  284   1HB   PHE  42          HB2       PHE  42  -6.777  -5.072   6.919
  285   2HB   PHE  42          HB1       PHE  42  -5.384  -4.893   5.772
  286    HD1  PHE  42           HD1      PHE  42  -4.018  -5.156   7.689
  287    HD2  PHE  42           HD2      PHE  42  -6.559  -1.718   7.467
  288    HE1  PHE  42           HE1      PHE  42  -2.753  -4.080   9.488
  289    HE2  PHE  42           HE2      PHE  42  -5.285  -0.670   9.222
  290    HZ   PHE  42           HZ       PHE  42  -3.390  -1.824  10.263
  291    H    ASP  43           HN       ASP  43  -5.504  -4.484   3.512
  292    HA   ASP  43           HA       ASP  43  -7.574  -5.266   1.676
  293   1HB   ASP  43          HB2       ASP  43  -5.238  -4.427   1.071
  294   2HB   ASP  43          HB1       ASP  43  -4.622  -6.059   1.471
  295    H    ASP  44           HN       ASP  44  -6.916  -6.531   4.400
  296    HA   ASP  44           HA       ASP  44  -7.655  -9.306   3.872
  297   1HB   ASP  44          HB1       ASP  44  -6.054 -10.064   5.575
  298   2HB   ASP  44          HB2       ASP  44  -5.279  -9.097   4.245
  299    H    GLY  45           HN       GLY  45  -9.028  -6.438   5.237
  300   1HA   GLY  45          HA2       GLY  45 -11.151  -6.612   5.988
  301   2HA   GLY  45          HA1       GLY  45 -10.830  -8.197   6.821
  302    H    TYR  46           HN       TYR  46  -8.516  -5.858   7.754
  303    HA   TYR  46           HA       TYR  46  -9.920  -5.560  10.329
  304   1HB   TYR  46          HB1       TYR  46  -7.579  -6.421  10.402
  305   2HB   TYR  46          HB2       TYR  46  -7.000  -4.935   9.570
  306    HD1  TYR  46           HD1      TYR  46  -8.794  -6.110  12.654
  307    HD2  TYR  46           HD2      TYR  46  -6.606  -2.973  10.793
  308    HE1  TYR  46           HE1      TYR  46  -8.917  -4.798  14.730
  309    HE2  TYR  46           HE2      TYR  46  -6.788  -1.645  12.816
  310    HH   TYR  46           HH       TYR  46  -8.409  -2.825  15.731
  311    H    GLU  47           HN       GLU  47 -11.419  -3.861  10.256
  312    HA   GLU  47           HA       GLU  47 -10.570  -1.321   9.071
  313   1HB   GLU  47          HB1       GLU  47 -12.545  -1.926   8.087
  314   2HB   GLU  47          HB2       GLU  47 -13.270  -2.532   9.520
  315   1HG   GLU  47          HG1       GLU  47 -13.504  -0.030  10.280
  316   2HG   GLU  47          HG2       GLU  47 -12.633   0.479   8.770
  317    H    CYS  48           HN       CYS  48 -10.813   0.766   9.817
  318    HA   CYS  48           HA       CYS  48 -11.187   1.168  12.617
  319   1HB   CYS  48          HB2       CYS  48  -8.629   1.982  12.715
  320   2HB   CYS  48          HB1       CYS  48  -9.039   0.263  13.043
  321    HG   CYS  48           HG       CYS  48  -8.371  -0.640  10.771
  322    H    ASP  49           HN       ASP  49 -10.286   3.642  12.920
  323    HA   ASP  49           HA       ASP  49 -10.218   4.991  10.312
  324   1HB   ASP  49          HB2       ASP  49 -11.065   6.621  12.852
  325   2HB   ASP  49          HB1       ASP  49 -11.194   7.048  11.133
  326    H    VAL  50           HN       VAL  50  -8.215   6.267  10.399
  327    HA   VAL  50           HA       VAL  50  -6.860   6.464  12.977
  328    HB   VAL  50           HB       VAL  50  -4.690   5.514  11.843
  329   1HG1  VAL  50          HG21      VAL  50  -6.145   4.258  13.424
  330   2HG1  VAL  50          HG22      VAL  50  -5.184   3.248  12.261
  331   3HG1  VAL  50          HG23      VAL  50  -6.960   3.497  12.006
  332   1HG2  VAL  50          HG11      VAL  50  -6.758   5.055   9.566
  333   2HG2  VAL  50          HG12      VAL  50  -5.373   3.940   9.834
  334   3HG2  VAL  50          HG13      VAL  50  -5.086   5.685   9.499
  335    H    LEU  51           HN       LEU  51  -4.782   7.754  12.772
  336    HA   LEU  51           HA       LEU  51  -4.976   9.745  10.674
  337   1HB   LEU  51          HB2       LEU  51  -4.489  10.102  13.301
  338   2HB   LEU  51          HB1       LEU  51  -2.854   9.469  12.963
  339    HG   LEU  51           HG       LEU  51  -2.942  11.868  13.205
  340   1HD1  LEU  51          HD21      LEU  51  -2.401  11.452  10.197
  341   2HD1  LEU  51          HD22      LEU  51  -1.273  10.949  11.519
  342   3HD1  LEU  51          HD23      LEU  51  -1.705  12.680  11.297
  343   1HD2  LEU  51          HD11      LEU  51  -4.816  11.970  10.766
  344   2HD2  LEU  51          HD12      LEU  51  -4.140  13.396  11.633
  345   3HD2  LEU  51          HD13      LEU  51  -5.283  12.274  12.471
  346    H    GLY  52           HN       GLY  52  -3.551  10.122   9.093
  347   1HA   GLY  52          HA2       GLY  52  -3.462   7.733   7.927
  348   2HA   GLY  52          HA1       GLY  52  -2.776   9.196   7.198
  349    H    LYS  53           HN       LYS  53  -0.607   9.462   9.324
  350    HA   LYS  53           HA       LYS  53   1.431   8.471   7.674
  351   1HB   LYS  53          HB1       LYS  53   2.995   9.290   9.136
  352   2HB   LYS  53          HB2       LYS  53   1.585  10.340   9.433
  353   1HG   LYS  53          HG1       LYS  53   2.623   8.048  11.262
  354   2HG   LYS  53          HG2       LYS  53   2.851   9.795  11.503
  355   1HD   LYS  53          HD2       LYS  53   0.552  10.179  12.006
  356   2HD   LYS  53          HD1       LYS  53   0.046   8.531  11.442
  357   1HE   LYS  53          HE2       LYS  53   1.225   7.452  13.326
  358   2HE   LYS  53          HE1       LYS  53   1.822   9.063  13.907
  359   1HZ   LYS  53          HZ1       LYS  53  -0.466   9.731  14.205
  360   2HZ   LYS  53          HZ2       LYS  53  -0.117   8.323  15.089
  361   3HZ   LYS  53          HZ3       LYS  53  -1.019   8.223  13.652
  362    H    ASP  54           HN       ASP  54  -0.483   6.648   9.547
  363    HA   ASP  54           HA       ASP  54   1.071   4.216   9.869
  364   1HB   ASP  54          HB1       ASP  54  -1.637   5.205  11.042
  365   2HB   ASP  54          HB2       ASP  54  -1.063   3.511  11.232
  366    H    ILE  55           HN       ILE  55  -2.498   4.894   9.113
  367    HA   ILE  55           HA       ILE  55  -2.111   3.095   6.794
  368    HB   ILE  55           HB       ILE  55  -4.805   3.197   7.981
  369   1HG1  ILE  55          HG11      ILE  55  -3.402   2.932  10.034
  370   2HG1  ILE  55          HG12      ILE  55  -4.452   1.566   9.619
  371   1HG2  ILE  55          HG21      ILE  55  -4.549   0.727   7.222
  372   2HG2  ILE  55          HG22      ILE  55  -2.983   1.168   6.541
  373   3HG2  ILE  55          HG23      ILE  55  -4.439   1.966   5.906
  374   1HD1  ILE  55          HD11      ILE  55  -1.377   1.578   9.159
  375   2HD1  ILE  55          HD12      ILE  55  -2.511   0.205   8.889
  376   3HD1  ILE  55          HD13      ILE  55  -2.230   0.855  10.539
  377    H    LEU  56           HN       LEU  56  -1.845   4.299   5.078
  378    HA   LEU  56           HA       LEU  56  -3.746   6.436   4.416
  379   1HB   LEU  56          HB2       LEU  56  -2.019   8.035   3.683
  380   2HB   LEU  56          HB1       LEU  56  -1.948   7.592   5.363
  381    HG   LEU  56           HG       LEU  56  -0.085   5.901   4.783
  382   1HD1  LEU  56          HD21      LEU  56  -0.161   7.382   2.061
  383   2HD1  LEU  56          HD22      LEU  56  -0.096   5.616   2.314
  384   3HD1  LEU  56          HD23      LEU  56   1.311   6.582   2.591
  385   1HD2  LEU  56          HD11      LEU  56   1.459   7.581   5.261
  386   2HD2  LEU  56          HD12      LEU  56  -0.046   8.479   5.619
  387   3HD2  LEU  56          HD13      LEU  56   0.746   8.720   4.070
  388    H    LEU  57           HN       LEU  57  -3.871   7.517   2.354
  389    HA   LEU  57           HA       LEU  57  -4.092   6.328   0.094
  390   1HB   LEU  57          HB2       LEU  57  -4.488   8.734  -0.312
  391   2HB   LEU  57          HB1       LEU  57  -4.653   8.699   1.408
  392    HG   LEU  57           HG       LEU  57  -3.726  10.669   0.913
  393   1HD1  LEU  57          HD21      LEU  57  -1.227   9.114   1.671
  394   2HD1  LEU  57          HD22      LEU  57  -2.455   9.776   2.771
  395   3HD1  LEU  57          HD23      LEU  57  -1.431  10.889   1.780
  396   1HD2  LEU  57          HD11      LEU  57  -1.621   9.713  -1.066
  397   2HD2  LEU  57          HD12      LEU  57  -2.090  11.381  -0.618
  398   3HD2  LEU  57          HD13      LEU  57  -3.265  10.315  -1.473
  399    H    CYS  58           HN       CYS  58  -2.797   5.113  -0.942
  400    HA   CYS  58           HA       CYS  58  -0.150   5.958  -1.590
  401   1HB   CYS  58          HB1       CYS  58  -1.186   3.959   0.183
  402   2HB   CYS  58          HB2       CYS  58  -0.709   3.038  -1.253
  403    HG   CYS  58           HG       CYS  58   0.962   5.309   0.542
  404    H    ASP  59           HN       ASP  59   0.560   4.539  -3.040
  405    HA   ASP  59           HA       ASP  59  -1.012   4.241  -5.544
  406   1HB   ASP  59          HB2       ASP  59   2.009   4.858  -5.401
  407   2HB   ASP  59          HB1       ASP  59   1.058   4.543  -6.893
  408    HA   PRO  60           HA       PRO  60   0.880   2.671  -2.360
  409   1HB   PRO  60          HB1       PRO  60   2.978   0.764  -1.833
  410   2HB   PRO  60          HB2       PRO  60   1.287   0.468  -1.575
  411   1HG   PRO  60          HG2       PRO  60   3.006  -0.391  -3.914
  412   2HG   PRO  60          HG1       PRO  60   1.589  -1.230  -3.173
  413   1HD   PRO  60          HD1       PRO  60   1.556   0.242  -5.564
  414   2HD   PRO  60          HD2       PRO  60   0.081  -0.091  -4.519
  415    H    ILE  61           HN       ILE  61   3.701   1.436  -3.885
  416    HA   ILE  61           HA       ILE  61   5.150   3.916  -3.327
  417    HB   ILE  61           HB       ILE  61   5.318   1.293  -2.229
  418   1HG1  ILE  61          HG12      ILE  61   7.054   2.238  -0.776
  419   2HG1  ILE  61          HG11      ILE  61   7.422   3.468  -1.986
  420   1HG2  ILE  61          HG21      ILE  61   7.697   0.800  -2.543
  421   2HG2  ILE  61          HG22      ILE  61   7.912   2.322  -3.482
  422   3HG2  ILE  61          HG23      ILE  61   7.024   0.917  -4.235
  423   1HD1  ILE  61          HD11      ILE  61   5.753   3.845   0.246
  424   2HD1  ILE  61          HD12      ILE  61   4.651   3.836  -1.143
  425   3HD1  ILE  61          HD13      ILE  61   6.142   4.899  -1.248
  426    HA   PRO  62           HA       PRO  62   5.505   4.963  -7.079
  427   1HB   PRO  62          HB2       PRO  62   8.593   4.756  -6.971
  428   2HB   PRO  62          HB1       PRO  62   7.597   6.209  -7.444
  429   1HG   PRO  62          HG1       PRO  62   8.419   6.052  -4.665
  430   2HG   PRO  62          HG2       PRO  62   6.671   6.245  -5.053
  431   1HD   PRO  62          HD2       PRO  62   8.306   3.770  -4.782
  432   2HD   PRO  62          HD1       PRO  62   7.058   4.509  -3.673
  433    H    LEU  63           HN       LEU  63   4.981   4.323  -9.253
  434    HA   LEU  63           HA       LEU  63   5.114   1.951 -10.387
  435   1HB   LEU  63          HB1       LEU  63   4.934   4.770 -11.576
  436   2HB   LEU  63          HB2       LEU  63   4.438   3.299 -12.478
  437    HG   LEU  63           HG       LEU  63   3.208   3.060  -9.876
  438   1HD1  LEU  63          HD21      LEU  63   1.743   5.016  -9.746
  439   2HD1  LEU  63          HD22      LEU  63   2.637   5.839 -11.087
  440   3HD1  LEU  63          HD23      LEU  63   3.439   5.526  -9.497
  441   1HD2  LEU  63          HD11      LEU  63   2.235   3.602 -12.722
  442   2HD2  LEU  63          HD12      LEU  63   1.197   3.033 -11.362
  443   3HD2  LEU  63          HD13      LEU  63   2.604   2.033 -11.914
  444    H    ASP  64           HN       ASP  64   7.612   2.456  -9.778
  445    HA   ASP  64           HA       ASP  64   9.302   1.424 -12.025
  446   1HB   ASP  64          HB2       ASP  64   9.308   3.787 -10.067
  447   2HB   ASP  64          HB1       ASP  64  10.936   3.298 -10.692
  448    H    THR  65           HN       THR  65   7.991   0.279  -9.224
  449    HA   THR  65           HA       THR  65  10.468   0.355  -7.652
  450    HB   THR  65           HB       THR  65   7.767   0.568  -6.423
  451    HG1  THR  65           HG1      THR  65   8.514   2.461  -7.212
  452   1HG2  THR  65          HG21      THR  65   9.436   0.993  -4.407
  453   2HG2  THR  65          HG22      THR  65  10.669   0.182  -5.390
  454   3HG2  THR  65          HG23      THR  65   9.166  -0.708  -4.880
  455    H    GLU  66           HN       GLU  66  11.431  -1.156  -7.682
  456    HA   GLU  66           HA       GLU  66  10.443  -3.851  -7.153
  457   1HB   GLU  66          HB1       GLU  66  12.616  -4.679  -6.856
  458   2HB   GLU  66          HB2       GLU  66  12.599  -3.550  -8.234
  459   1HG   GLU  66          HG2       GLU  66  13.599  -1.755  -6.735
  460   2HG   GLU  66          HG1       GLU  66  13.758  -2.976  -5.425
  461    H    VAL  67           HN       VAL  67   9.060  -3.921  -5.757
  462    HA   VAL  67           HA       VAL  67   9.284  -3.265  -2.876
  463    HB   VAL  67           HB       VAL  67   6.746  -4.379  -3.287
  464   1HG1  VAL  67          HG11      VAL  67   7.506  -1.405  -3.181
  465   2HG1  VAL  67          HG12      VAL  67   7.448  -2.594  -1.813
  466   3HG1  VAL  67          HG13      VAL  67   5.942  -2.200  -2.657
  467   1HG2  VAL  67          HG21      VAL  67   5.668  -3.443  -5.071
  468   2HG2  VAL  67          HG22      VAL  67   7.083  -4.293  -5.774
  469   3HG2  VAL  67          HG23      VAL  67   7.099  -2.478  -5.569
  470    H    THR  68           HN       THR  68   8.120  -5.075  -1.534
  471    HA   THR  68           HA       THR  68   9.752  -7.471  -2.314
  472    HB   THR  68           HB       THR  68  10.525  -6.698  -0.313
  473    HG1  THR  68           HG1      THR  68   9.852  -8.229   1.193
  474   1HG2  THR  68          HG21      THR  68   8.713  -5.083   0.104
  475   2HG2  THR  68          HG22      THR  68   8.723  -6.204   1.533
  476   3HG2  THR  68          HG23      THR  68   7.540  -6.406   0.151
  477    H    ALA  69           HN       ALA  69   8.810  -9.408  -2.880
  478    HA   ALA  69           HA       ALA  69   5.883  -9.324  -3.192
  479   1HB   ALA  69          HB1       ALA  69   6.475 -11.051  -4.978
  480   2HB   ALA  69          HB2       ALA  69   8.202 -10.945  -4.443
  481   3HB   ALA  69          HB3       ALA  69   7.399  -9.516  -5.139
  482    H    LEU  70           HN       LEU  70   4.561 -10.892  -2.254
  483    HA   LEU  70           HA       LEU  70   5.552 -12.013   0.115
  484   1HB   LEU  70          HB2       LEU  70   3.147 -11.379  -0.565
  485   2HB   LEU  70          HB1       LEU  70   3.046 -13.134  -0.892
  486    HG   LEU  70           HG       LEU  70   2.254 -12.666   1.343
  487   1HD1  LEU  70          HD21      LEU  70   3.793 -14.715   1.305
  488   2HD1  LEU  70          HD22      LEU  70   3.540 -13.940   2.914
  489   3HD1  LEU  70          HD23      LEU  70   5.057 -13.650   2.033
  490   1HD2  LEU  70          HD11      LEU  70   3.532 -11.426   3.089
  491   2HD2  LEU  70          HD12      LEU  70   3.231 -10.407   1.631
  492   3HD2  LEU  70          HD13      LEU  70   4.861 -11.136   1.921
  493    H    SER  71           HN       SER  71   6.851 -13.219   0.277
  494    HA   SER  71           HA       SER  71   7.153 -15.990  -0.393
  495   1HB   SER  71          HB1       SER  71   9.232 -13.733  -0.802
  496   2HB   SER  71          HB2       SER  71   9.710 -15.473  -0.635
  497    HG   SER  71           HG       SER  71   8.106 -14.233  -2.619
  498    H    GLU  72           HN       GLU  72   8.822 -16.629   1.457
  499    HA   GLU  72           HA       GLU  72   7.795 -16.488   3.819
  500   1HB   GLU  72          HB1       GLU  72  10.676 -16.529   4.276
  501   2HB   GLU  72          HB2       GLU  72   9.550 -17.920   4.088
  502   1HG   GLU  72          HG2       GLU  72  10.889 -16.307   1.808
  503   2HG   GLU  72          HG1       GLU  72  11.672 -17.628   2.763
  504    H    ASP  73           HN       ASP  73   8.435 -15.940   5.830
  505    HA   ASP  73           HA       ASP  73   7.594 -13.484   6.455
  506   1HB   ASP  73          HB2       ASP  73   9.167 -15.294   8.368
  507   2HB   ASP  73          HB1       ASP  73   8.011 -13.999   8.870
  508    H    GLU  74           HN       GLU  74  11.074 -14.228   7.026
  509    HA   GLU  74           HA       GLU  74  11.592 -11.303   7.111
  510   1HB   GLU  74          HB2       GLU  74  12.082 -12.618   9.188
  511   2HB   GLU  74          HB1       GLU  74  13.204 -13.661   8.255
  512   1HG   GLU  74          HG2       GLU  74  14.685 -11.665   7.829
  513   2HG   GLU  74          HG1       GLU  74  13.506 -10.613   8.703
  514    H    TYR  75           HN       TYR  75  11.627 -14.018   5.157
  515    HA   TYR  75           HA       TYR  75  14.203 -13.420   3.888
  516   1HB   TYR  75          HB2       TYR  75  12.732 -16.077   3.715
  517   2HB   TYR  75          HB1       TYR  75  14.467 -15.721   3.419
  518    HD1  TYR  75           HD1      TYR  75  11.842 -16.278   5.979
  519    HD2  TYR  75           HD2      TYR  75  15.939 -15.266   5.333
  520    HE1  TYR  75           HE1      TYR  75  12.319 -16.700   8.343
  521    HE2  TYR  75           HE2      TYR  75  16.404 -15.661   7.710
  522    HH   TYR  75           HH       TYR  75  15.548 -16.285   9.719
  523    H    PHE  76           HN       PHE  76  11.127 -12.730   3.151
  524    HA   PHE  76           HA       PHE  76  10.739 -13.255   0.490
  525   1HB   PHE  76          HB2       PHE  76   9.266 -11.012   0.470
  526   2HB   PHE  76          HB1       PHE  76   8.894 -12.425   1.461
  527    HD1  PHE  76           HD1      PHE  76  11.521 -10.073   2.743
  528    HD2  PHE  76           HD2      PHE  76   7.430 -11.270   2.700
  529    HE1  PHE  76           HE1      PHE  76  11.112  -8.792   4.786
  530    HE2  PHE  76           HE2      PHE  76   7.012  -9.985   4.731
  531    HZ   PHE  76           HZ       PHE  76   8.854  -8.710   5.784
  532    H    SER  77           HN       SER  77  10.537 -11.814  -1.510
  533    HA   SER  77           HA       SER  77  12.946 -10.050  -1.731
  534   1HB   SER  77          HB1       SER  77  12.718 -12.690  -3.255
  535   2HB   SER  77          HB2       SER  77  13.728 -11.333  -3.865
  536    HG   SER  77           HG       SER  77  14.031 -12.007  -1.180
  537    H    ALA  78           HN       ALA  78  13.255  -8.874  -3.775
  538    HA   ALA  78           HA       ALA  78  10.730  -7.764  -4.310
  539   1HB   ALA  78          HB1       ALA  78  13.465  -6.702  -5.109
  540   2HB   ALA  78          HB2       ALA  78  12.553  -6.341  -3.593
  541   3HB   ALA  78          HB3       ALA  78  11.904  -5.784  -5.128
  542    H    GLY  79           HN       GLY  79   9.794  -6.844  -5.978
  543   1HA   GLY  79          HA2       GLY  79  10.280  -7.574  -8.704
  544   2HA   GLY  79          HA1       GLY  79   8.672  -8.220  -7.941
  545    H    VAL  80           HN       VAL  80   8.633  -6.253 -10.014
  546    HA   VAL  80           HA       VAL  80   8.748  -3.652  -8.740
  547    HB   VAL  80           HB       VAL  80   8.823  -4.745 -11.562
  548   1HG1  VAL  80          HG11      VAL  80   9.306  -1.814 -10.588
  549   2HG1  VAL  80          HG12      VAL  80   7.915  -2.303 -11.611
  550   3HG1  VAL  80          HG13      VAL  80   9.579  -2.429 -12.252
  551   1HG2  VAL  80          HG21      VAL  80  10.802  -5.188 -10.068
  552   2HG2  VAL  80          HG22      VAL  80  10.833  -3.395  -9.697
  553   3HG2  VAL  80          HG23      VAL  80  11.193  -3.958 -11.361
  554    H    VAL  81           HN       VAL  81   6.935  -2.448  -8.056
  555    HA   VAL  81           HA       VAL  81   4.463  -3.053  -9.538
  556    HB   VAL  81           HB       VAL  81   3.300  -1.376  -8.469
  557   1HG1  VAL  81          HG11      VAL  81   5.672  -1.300  -6.564
  558   2HG1  VAL  81          HG12      VAL  81   4.521  -2.734  -6.665
  559   3HG1  VAL  81          HG13      VAL  81   3.940  -1.097  -6.149
  560   1HG2  VAL  81          HG21      VAL  81   5.825   0.464  -8.470
  561   2HG2  VAL  81          HG22      VAL  81   4.336   0.771  -7.512
  562   3HG2  VAL  81          HG23      VAL  81   4.220   0.694  -9.264
  563    H    LYS  82           HN       LYS  82   3.783  -2.482 -11.565
  564    HA   LYS  82           HA       LYS  82   5.125  -0.218 -12.951
  565   1HB   LYS  82          HB2       LYS  82   4.455  -2.940 -14.169
  566   2HB   LYS  82          HB1       LYS  82   4.860  -1.454 -15.112
  567   1HG   LYS  82          HG2       LYS  82   7.055  -1.305 -13.870
  568   2HG   LYS  82          HG1       LYS  82   6.693  -2.919 -13.149
  569   1HD   LYS  82          HD2       LYS  82   6.571  -3.936 -15.406
  570   2HD   LYS  82          HD1       LYS  82   6.829  -2.326 -16.177
  571   1HE   LYS  82          HE2       LYS  82   9.109  -2.171 -15.146
  572   2HE   LYS  82          HE1       LYS  82   8.865  -3.778 -14.350
  573   1HZ   LYS  82          HZ1       LYS  82   8.635  -4.761 -16.525
  574   2HZ   LYS  82          HZ2       LYS  82  10.118  -3.948 -16.377
  575   3HZ   LYS  82          HZ3       LYS  82   8.856  -3.254 -17.276
  576    H    GLY  83           HN       GLY  83   2.028  -2.272 -12.917
  577   1HA   GLY  83          HA2       GLY  83   0.619   0.278 -13.515
  578   2HA   GLY  83          HA1       GLY  83   0.429  -1.167 -14.573
  579    H    HIS  84           HN       HIS  84  -1.502   0.428 -12.618
  580    HA   HIS  84           HA       HIS  84  -2.557  -2.000 -11.416
  581   1HB   HIS  84          HB1       HIS  84  -3.014  -0.376  -9.264
  582   2HB   HIS  84          HB2       HIS  84  -1.576  -1.405  -9.495
  583    HD1  HIS  84           HD1      HIS  84  -2.368   2.377 -10.030
  584    HD2  HIS  84           HD2      HIS  84   0.745  -0.252  -8.988
  585    HE1  HIS  84           HE1      HIS  84  -0.141   3.726  -9.549
  586    H    ARG  85           HN       ARG  85  -4.642  -2.271 -10.717
  587    HA   ARG  85           HA       ARG  85  -6.502  -0.290 -11.874
  588   1HB   ARG  85          HB2       ARG  85  -7.522  -1.970 -13.256
  589   2HB   ARG  85          HB1       ARG  85  -5.770  -2.238 -13.506
  590   1HG   ARG  85          HG1       ARG  85  -6.129  -4.434 -13.010
  591   2HG   ARG  85          HG2       ARG  85  -6.400  -3.969 -11.303
  592   1HD   ARG  85          HD2       ARG  85  -8.331  -5.212 -11.759
  593   2HD   ARG  85          HD1       ARG  85  -8.877  -3.509 -11.943
  594    HE   ARG  85           HE       ARG  85  -7.989  -5.167 -14.333
  595   1HH1  ARG  85          HH11      ARG  85 -10.482  -3.076 -12.829
  596   2HH1  ARG  85          HH12      ARG  85 -11.493  -3.075 -14.236
  597   1HH2  ARG  85          HH21      ARG  85  -9.363  -5.145 -16.179
  598   2HH2  ARG  85          HH22      ARG  85 -10.852  -4.260 -16.156
  599    H    LYS  86           HN       LYS  86  -8.777  -0.690 -11.109
  600    HA   LYS  86           HA       LYS  86  -9.057  -2.920  -9.330
  601   1HB   LYS  86          HB2       LYS  86 -10.142  -1.798  -7.511
  602   2HB   LYS  86          HB1       LYS  86  -8.418  -1.332  -7.740
  603   1HG   LYS  86          HG2       LYS  86  -9.058   0.812  -8.786
  604   2HG   LYS  86          HG1       LYS  86 -10.795   0.338  -8.795
  605   1HD   LYS  86          HD2       LYS  86 -10.795   0.292  -6.288
  606   2HD   LYS  86          HD1       LYS  86  -9.097   0.891  -6.277
  607   1HE   LYS  86          HE2       LYS  86 -11.434   2.366  -7.687
  608   2HE   LYS  86          HE1       LYS  86 -10.921   2.699  -5.992
  609   1HZ   LYS  86          HZ1       LYS  86  -9.921   4.212  -7.544
  610   2HZ   LYS  86          HZ2       LYS  86  -9.213   2.935  -8.412
  611   3HZ   LYS  86          HZ3       LYS  86  -8.728   3.247  -6.815
  612    H    GLU  87           HN       GLU  87 -11.026  -3.774  -9.198
  613    HA   GLU  87           HA       GLU  87 -12.976  -2.955 -11.274
  614   1HB   GLU  87          HB2       GLU  87 -11.430  -5.138 -11.471
  615   2HB   GLU  87          HB1       GLU  87 -12.554  -5.851 -10.307
  616   1HG   GLU  87          HG2       GLU  87 -13.392  -4.582 -13.013
  617   2HG   GLU  87          HG1       GLU  87 -12.952  -6.314 -12.803
  618    H    SER  88           HN       SER  88 -15.284  -3.609 -10.526
  619    HA   SER  88           HA       SER  88 -15.951  -2.635  -8.005
  620   1HB   SER  88          HB2       SER  88 -17.418  -2.568 -10.009
  621   2HB   SER  88          HB1       SER  88 -17.643  -4.346  -9.916
  622    HG   SER  88           HG       SER  88 -18.580  -3.997  -7.852
  623    H    GLY  89           HN       GLY  89 -14.349  -4.126  -6.811
  624   1HA   GLY  89          HA2       GLY  89 -14.731  -5.273  -4.720
  625   2HA   GLY  89          HA1       GLY  89 -15.737  -6.475  -5.600
  626    H    GLU  90           HN       GLU  90 -12.803  -5.413  -7.354
  627    HA   GLU  90           HA       GLU  90 -11.229  -7.563  -6.264
  628   1HB   GLU  90          HB2       GLU  90 -12.590  -8.586  -8.073
  629   2HB   GLU  90          HB1       GLU  90 -12.003  -7.343  -9.234
  630   1HG   GLU  90          HG2       GLU  90  -9.740  -8.079  -9.039
  631   2HG   GLU  90          HG1       GLU  90 -10.128  -9.165  -7.643
  632    H    LEU  91           HN       LEU  91  -8.926  -7.112  -6.654
  633    HA   LEU  91           HA       LEU  91  -8.344  -4.359  -7.477
  634   1HB   LEU  91          HB2       LEU  91  -8.588  -5.248  -4.852
  635   2HB   LEU  91          HB1       LEU  91  -6.882  -5.724  -5.104
  636    HG   LEU  91           HG       LEU  91  -8.110  -2.909  -5.727
  637   1HD1  LEU  91          HD11      LEU  91  -6.882  -3.821  -3.064
  638   2HD1  LEU  91          HD12      LEU  91  -8.601  -3.383  -3.389
  639   3HD1  LEU  91          HD13      LEU  91  -7.311  -2.127  -3.489
  640   1HD2  LEU  91          HD21      LEU  91  -5.936  -3.184  -6.809
  641   2HD2  LEU  91          HD22      LEU  91  -5.191  -3.787  -5.277
  642   3HD2  LEU  91          HD23      LEU  91  -5.757  -2.079  -5.402
  643    H    TYR  92           HN       TYR  92  -6.342  -4.465  -9.057
  644    HA   TYR  92           HA       TYR  92  -4.545  -6.423  -8.036
  645   1HB   TYR  92          HB1       TYR  92  -4.154  -7.743 -10.275
  646   2HB   TYR  92          HB2       TYR  92  -5.380  -8.248  -9.105
  647    HD1  TYR  92           HD1      TYR  92  -5.006  -6.552 -12.376
  648    HD2  TYR  92           HD2      TYR  92  -7.639  -8.448  -9.658
  649    HE1  TYR  92           HE1      TYR  92  -6.608  -6.899 -14.204
  650    HE2  TYR  92           HE2      TYR  92  -9.345  -8.590 -11.430
  651    HH   TYR  92           HH       TYR  92  -9.742  -8.459 -13.644
  652    H    TYR  93           HN       TYR  93  -2.672  -6.251  -8.237
  653    HA   TYR  93           HA       TYR  93  -1.568  -3.925  -9.635
  654   1HB   TYR  93          HB2       TYR  93  -1.033  -5.391  -6.985
  655   2HB   TYR  93          HB1       TYR  93   0.342  -4.584  -7.817
  656    HD1  TYR  93           HD1      TYR  93  -3.292  -3.748  -7.021
  657    HD2  TYR  93           HD2      TYR  93   0.786  -2.473  -7.314
  658    HE1  TYR  93           HE1      TYR  93  -3.984  -1.445  -6.665
  659    HE2  TYR  93           HE2      TYR  93   0.058  -0.201  -6.938
  660    HH   TYR  93           HH       TYR  93  -1.588   1.189  -6.588
  661    H    SER  94           HN       SER  94  -0.209  -4.293 -11.282
  662    HA   SER  94           HA       SER  94   0.622  -7.014 -11.904
  663   1HB   SER  94          HB2       SER  94   1.386  -6.171 -14.112
  664   2HB   SER  94          HB1       SER  94  -0.323  -5.781 -13.825
  665    HG   SER  94           HG       SER  94   0.439  -3.608 -13.168
  666    H    ILE  95           HN       ILE  95   2.167  -7.638 -10.746
  667    HA   ILE  95           HA       ILE  95   4.412  -5.828 -10.032
  668    HB   ILE  95           HB       ILE  95   3.484  -8.508  -8.922
  669   1HG1  ILE  95          HG12      ILE  95   1.754  -6.856  -8.493
  670   2HG1  ILE  95          HG11      ILE  95   2.669  -7.140  -7.013
  671   1HG2  ILE  95          HG21      ILE  95   5.063  -7.978  -7.058
  672   2HG2  ILE  95          HG22      ILE  95   5.577  -6.458  -7.877
  673   3HG2  ILE  95          HG23      ILE  95   5.968  -8.064  -8.592
  674   1HD1  ILE  95          HD11      ILE  95   2.309  -4.690  -7.180
  675   2HD1  ILE  95          HD12      ILE  95   2.855  -4.653  -8.880
  676   3HD1  ILE  95          HD13      ILE  95   4.028  -4.971  -7.553
  677    H    GLU  96           HN       GLU  96   6.130  -5.883 -11.318
  678    HA   GLU  96           HA       GLU  96   6.349  -8.255 -13.089
  679   1HB   GLU  96          HB1       GLU  96   6.383  -6.184 -14.224
  680   2HB   GLU  96          HB2       GLU  96   7.877  -5.685 -13.396
  681   1HG   GLU  96          HG2       GLU  96   7.693  -8.354 -14.966
  682   2HG   GLU  96          HG1       GLU  96   7.883  -6.822 -15.843
  683    H    LYS  97           HN       LYS  97   7.202  -9.942 -12.594
  684    HA   LYS  97           HA       LYS  97   9.519  -9.915 -10.691
  685   1HB   LYS  97          HB1       LYS  97   7.221  -9.913  -9.523
  686   2HB   LYS  97          HB2       LYS  97   6.892 -11.441 -10.435
  687   1HG   LYS  97          HG2       LYS  97   8.585 -12.635  -9.080
  688   2HG   LYS  97          HG1       LYS  97   9.290 -11.091  -8.516
  689   1HD   LYS  97          HD2       LYS  97   8.144 -11.910  -6.672
  690   2HD   LYS  97          HD1       LYS  97   6.887 -10.821  -7.368
  691   1HE   LYS  97          HE2       LYS  97   5.743 -12.778  -8.401
  692   2HE   LYS  97          HE1       LYS  97   7.086 -13.878  -7.892
  693   1HZ   LYS  97          HZ1       LYS  97   6.552 -13.403  -5.609
  694   2HZ   LYS  97          HZ2       LYS  97   5.207 -14.027  -6.437
  695   3HZ   LYS  97          HZ3       LYS  97   5.287 -12.370  -6.074
  696    H    GLU  98           HN       GLU  98  10.968 -11.527 -11.080
  697    HA   GLU  98           HA       GLU  98  12.019 -13.288 -11.830
  698   1HB   GLU  98          HB1       GLU  98  10.340 -14.497 -10.508
  699   2HB   GLU  98          HB2       GLU  98   9.214 -14.553 -11.935
  700   1HG   GLU  98          HG2       GLU  98  10.332 -16.682 -11.347
  701   2HG   GLU  98          HG1       GLU  98  10.777 -16.180 -13.022
  702    H    GLY  99           HN       GLY  99  10.259 -11.490 -13.664
  703   1HA   GLY  99          HA2       GLY  99  11.347 -10.816 -15.785
  704   2HA   GLY  99          HA1       GLY  99  11.284 -12.539 -16.298
  705    H    GLN 100           HN       GLN 100   8.468 -12.110 -14.646
  706    HA   GLN 100           HA       GLN 100   6.967 -10.924 -16.832
  707   1HB   GLN 100          HB2       GLN 100   5.378 -12.969 -16.878
  708   2HB   GLN 100          HB1       GLN 100   7.007 -13.183 -17.576
  709   1HG   GLN 100          HG2       GLN 100   6.590 -15.183 -16.446
  710   2HG   GLN 100          HG1       GLN 100   7.780 -14.339 -15.415
  711   1HE2  GLN 100          HE21      GLN 100   7.017 -13.517 -13.257
  712   2HE2  GLN 100          HE22      GLN 100   5.469 -14.189 -12.679
  713    H    ARG 101           HN       ARG 101   4.486 -10.857 -16.302
  714    HA   ARG 101           HA       ARG 101   4.499  -9.480 -13.747
  715   1HB   ARG 101          HB2       ARG 101   2.113  -8.968 -15.398
  716   2HB   ARG 101          HB1       ARG 101   3.234  -7.880 -14.491
  717   1HG   ARG 101          HG1       ARG 101   3.445  -7.176 -16.699
  718   2HG   ARG 101          HG2       ARG 101   4.901  -8.187 -16.452
  719   1HD   ARG 101          HD1       ARG 101   3.891  -8.618 -18.688
  720   2HD   ARG 101          HD2       ARG 101   3.697 -10.105 -17.661
  721    HE   ARG 101           HE       ARG 101   1.397  -8.306 -17.399
  722   1HH1  ARG 101          HH11      ARG 101   2.838 -10.726 -19.602
  723   2HH1  ARG 101          HH12      ARG 101   1.321 -11.184 -20.301
  724   1HH2  ARG 101          HH21      ARG 101  -0.625  -8.938 -18.348
  725   2HH2  ARG 101          HH22      ARG 101  -0.671 -10.155 -19.581
  726    H    LYS 102           HN       LYS 102   3.692  -9.964 -12.014
  727    HA   LYS 102           HA       LYS 102   1.796 -12.275 -11.840
  728   1HB   LYS 102          HB1       LYS 102   3.851 -11.037 -10.018
  729   2HB   LYS 102          HB2       LYS 102   2.316 -11.422  -9.181
  730   1HG   LYS 102          HG2       LYS 102   3.727 -13.268  -8.896
  731   2HG   LYS 102          HG1       LYS 102   2.355 -13.746  -9.955
  732   1HD   LYS 102          HD1       LYS 102   3.915 -13.626 -11.931
  733   2HD   LYS 102          HD2       LYS 102   5.263 -13.139 -10.831
  734   1HE   LYS 102          HE1       LYS 102   5.447 -15.561 -11.278
  735   2HE   LYS 102          HE2       LYS 102   4.982 -15.313  -9.549
  736   1HZ   LYS 102          HZ1       LYS 102   3.144 -15.996 -11.785
  737   2HZ   LYS 102          HZ2       LYS 102   2.703 -15.767 -10.161
  738   3HZ   LYS 102          HZ3       LYS 102   3.724 -17.055 -10.590
  739    H    TRP 103           HN       TRP 103  -0.432 -11.775 -11.598
  740    HA   TRP 103           HA       TRP 103  -1.016  -8.935 -11.003
  741   1HB   TRP 103          HB2       TRP 103  -2.657 -11.189 -12.324
  742   2HB   TRP 103          HB1       TRP 103  -3.384  -9.629 -11.823
  743    HD1  TRP 103           HD1      TRP 103  -1.570 -11.096 -14.823
  744    HE1  TRP 103           HE1      TRP 103  -1.693  -9.276 -16.665
  745    HE3  TRP 103           HE3      TRP 103  -2.710  -7.123 -11.904
  746    HZ2  TRP 103           HZ2      TRP 103  -2.336  -6.542 -16.817
  747    HZ3  TRP 103           HZ3      TRP 103  -3.157  -4.940 -12.946
  748    HH2  TRP 103           HH2      TRP 103  -2.976  -4.658 -15.376
  749    H    TYR 104           HN       TYR 104  -1.151  -8.611  -8.969
  750    HA   TYR 104           HA       TYR 104  -2.536 -10.522  -7.024
  751   1HB   TYR 104          HB2       TYR 104  -0.134  -8.702  -6.464
  752   2HB   TYR 104          HB1       TYR 104  -0.985  -9.809  -5.341
  753    HD1  TYR 104           HD1      TYR 104  -1.283 -12.279  -7.021
  754    HD2  TYR 104           HD2      TYR 104   1.965  -9.578  -6.361
  755    HE1  TYR 104           HE1      TYR 104   0.270 -14.138  -7.147
  756    HE2  TYR 104           HE2      TYR 104   3.526 -11.449  -6.479
  757    HH   TYR 104           HH       TYR 104   2.491 -14.722  -7.266
  758    H    LYS 105           HN       LYS 105  -4.264  -9.554  -5.698
  759    HA   LYS 105           HA       LYS 105  -4.568  -6.846  -5.467
  760   1HB   LYS 105          HB1       LYS 105  -5.024  -9.249  -3.479
  761   2HB   LYS 105          HB2       LYS 105  -5.756  -7.619  -3.235
  762   1HG   LYS 105          HG2       LYS 105  -7.200  -7.913  -5.138
  763   2HG   LYS 105          HG1       LYS 105  -6.431  -9.463  -5.603
  764   1HD   LYS 105          HD1       LYS 105  -7.232 -10.484  -3.457
  765   2HD   LYS 105          HD2       LYS 105  -7.865  -8.883  -2.929
  766   1HE   LYS 105          HE2       LYS 105  -9.725 -10.299  -3.766
  767   2HE   LYS 105          HE1       LYS 105  -9.487  -8.872  -4.857
  768   1HZ   LYS 105          HZ1       LYS 105  -9.813 -10.896  -6.077
  769   2HZ   LYS 105          HZ2       LYS 105  -8.480 -11.632  -5.324
  770   3HZ   LYS 105          HZ3       LYS 105  -8.247 -10.295  -6.345
  771    H    ARG 106           HN       ARG 106  -3.854  -5.551  -3.906
  772    HA   ARG 106           HA       ARG 106  -1.515  -4.836  -3.351
  773   1HB   ARG 106          HB2       ARG 106  -3.549  -4.916  -0.985
  774   2HB   ARG 106          HB1       ARG 106  -2.243  -3.700  -1.258
  775   1HG   ARG 106          HG1       ARG 106  -4.711  -4.057  -3.039
  776   2HG   ARG 106          HG2       ARG 106  -4.455  -2.838  -1.776
  777   1HD   ARG 106          HD1       ARG 106  -2.816  -3.163  -4.368
  778   2HD   ARG 106          HD2       ARG 106  -3.986  -1.842  -4.010
  779    HE   ARG 106           HE       ARG 106  -1.189  -1.880  -3.368
  780   1HH1  ARG 106          HH11      ARG 106  -4.270  -1.058  -1.761
  781   2HH1  ARG 106          HH12      ARG 106  -3.585   0.228  -0.823
  782   1HH2  ARG 106          HH21      ARG 106  -0.305  -0.126  -2.091
  783   2HH2  ARG 106          HH22      ARG 106  -1.331   0.756  -1.008
  784    H    MET 107           HN       MET 107  -2.828  -7.198  -1.104
  785    HA   MET 107           HA       MET 107  -0.845  -7.194   0.867
  786   1HB   MET 107          HB1       MET 107  -2.038  -9.182   1.745
  787   2HB   MET 107          HB2       MET 107  -3.134  -7.814   1.377
  788   1HG   MET 107          HG2       MET 107  -3.498  -9.005  -0.979
  789   2HG   MET 107          HG1       MET 107  -2.598 -10.388  -0.304
  790   1HE   MET 107          HE1       MET 107  -5.242 -10.499  -1.667
  791   2HE   MET 107          HE2       MET 107  -6.257 -11.569  -0.644
  792   3HE   MET 107          HE3       MET 107  -4.533 -11.975  -0.913
  793    H    ALA 108           HN       ALA 108  -0.751  -8.903  -2.323
  794    HA   ALA 108           HA       ALA 108   1.417 -10.541  -1.252
  795   1HB   ALA 108          HB1       ALA 108   1.444 -11.710  -3.458
  796   2HB   ALA 108          HB2       ALA 108   0.401 -10.456  -4.135
  797   3HB   ALA 108          HB3       ALA 108  -0.268 -11.588  -2.899
  798    H    VAL 109           HN       VAL 109   1.404  -7.620  -2.007
  799    HA   VAL 109           HA       VAL 109   4.203  -7.460  -2.658
  800    HB   VAL 109           HB       VAL 109   3.506  -5.114  -3.960
  801   1HG1  VAL 109          HG11      VAL 109   4.016  -7.916  -5.069
  802   2HG1  VAL 109          HG12      VAL 109   5.266  -6.804  -4.401
  803   3HG1  VAL 109          HG13      VAL 109   4.339  -6.307  -5.843
  804   1HG2  VAL 109          HG21      VAL 109   1.053  -5.783  -3.807
  805   2HG2  VAL 109          HG22      VAL 109   1.426  -7.241  -4.802
  806   3HG2  VAL 109          HG23      VAL 109   1.676  -5.585  -5.464
  807    H    ILE 110           HN       ILE 110   4.907  -6.961  -0.697
  808    HA   ILE 110           HA       ILE 110   3.680  -4.567   0.639
  809    HB   ILE 110           HB       ILE 110   4.694  -5.115   2.635
  810   1HG1  ILE 110          HG11      ILE 110   6.623  -6.473   2.185
  811   2HG1  ILE 110          HG12      ILE 110   5.482  -7.281   3.273
  812   1HG2  ILE 110          HG21      ILE 110   2.837  -7.282   1.477
  813   2HG2  ILE 110          HG22      ILE 110   2.333  -5.677   2.131
  814   3HG2  ILE 110          HG23      ILE 110   3.054  -6.916   3.227
  815   1HD1  ILE 110          HD11      ILE 110   4.662  -8.738   1.382
  816   2HD1  ILE 110          HD12      ILE 110   6.402  -8.971   1.802
  817   3HD1  ILE 110          HD13      ILE 110   5.953  -8.041   0.345
  818    H    LEU 111           HN       LEU 111   5.545  -3.428   2.237
  819    HA   LEU 111           HA       LEU 111   7.973  -2.965   0.600
  820   1HB   LEU 111          HB2       LEU 111   7.447  -0.346   0.899
  821   2HB   LEU 111          HB1       LEU 111   6.842  -1.250  -0.477
  822    HG   LEU 111           HG       LEU 111   4.609  -1.434   0.380
  823   1HD1  LEU 111          HD11      LEU 111   3.999  -0.287   2.557
  824   2HD1  LEU 111          HD12      LEU 111   5.755  -0.162   2.935
  825   3HD1  LEU 111          HD13      LEU 111   4.943  -1.755   2.846
  826   1HD2  LEU 111          HD21      LEU 111   4.057   0.902   0.232
  827   2HD2  LEU 111          HD22      LEU 111   5.713   0.678  -0.489
  828   3HD2  LEU 111          HD23      LEU 111   5.511   1.441   1.141
  829    H    SER 112           HN       SER 112   9.554  -1.495   1.552
  830    HA   SER 112           HA       SER 112   9.641  -1.718   4.519
  831   1HB   SER 112          HB2       SER 112  11.466  -2.906   3.290
  832   2HB   SER 112          HB1       SER 112  12.024  -1.348   2.609
  833    HG   SER 112           HG       SER 112  11.777  -1.844   5.438
  834    H    LEU 113           HN       LEU 113  10.822   0.292   5.672
  835    HA   LEU 113           HA       LEU 113   9.348   2.580   5.034
  836   1HB   LEU 113          HB2       LEU 113  11.833   3.111   6.581
  837   2HB   LEU 113          HB1       LEU 113  10.381   4.134   6.290
  838    HG   LEU 113           HG       LEU 113   9.947   1.421   7.568
  839   1HD1  LEU 113          HD21      LEU 113  11.390   3.790   8.914
  840   2HD1  LEU 113          HD22      LEU 113  12.092   2.178   8.590
  841   3HD1  LEU 113          HD23      LEU 113  10.747   2.326   9.801
  842   1HD2  LEU 113          HD11      LEU 113   8.345   2.554   8.986
  843   2HD2  LEU 113          HD12      LEU 113   8.051   3.111   7.287
  844   3HD2  LEU 113          HD13      LEU 113   8.905   4.185   8.447
  845    H    GLU 114           HN       GLU 114  12.748   2.276   4.225
  846    HA   GLU 114           HA       GLU 114  12.648   4.872   3.015
  847   1HB   GLU 114          HB2       GLU 114  14.883   3.474   3.797
  848   2HB   GLU 114          HB1       GLU 114  15.127   4.007   2.096
  849   1HG   GLU 114          HG1       GLU 114  14.201   6.338   2.754
  850   2HG   GLU 114          HG2       GLU 114  14.110   5.711   4.472
  851    H    GLN 115           HN       GLN 115  11.485   2.190   1.591
  852    HA   GLN 115           HA       GLN 115  11.365   3.331  -1.098
  853   1HB   GLN 115          HB2       GLN 115   9.532   1.229   0.217
  854   2HB   GLN 115          HB1       GLN 115   9.656   1.650  -1.577
  855   1HG   GLN 115          HG1       GLN 115  12.047   0.746  -1.519
  856   2HG   GLN 115          HG2       GLN 115  11.788   0.283   0.205
  857   1HE2  GLN 115          HE21      GLN 115  10.589  -0.307  -3.156
  858   2HE2  GLN 115          HE22      GLN 115  10.456  -2.010  -2.828
  859    H    GLY 116           HN       GLY 116   9.704   3.461   1.916
  860   1HA   GLY 116          HA2       GLY 116   7.155   4.557   1.360
  861   2HA   GLY 116          HA1       GLY 116   7.970   4.244   2.905
  862    H    ASN 117           HN       ASN 117  10.079   5.662   3.139
  863    HA   ASN 117           HA       ASN 117   9.250   8.335   3.482
  864   1HB   ASN 117          HB2       ASN 117  12.061   7.270   3.872
  865   2HB   ASN 117          HB1       ASN 117  11.445   8.881   4.423
  866   1HD2  ASN 117          HD21      ASN 117   9.115   8.529   5.747
  867   2HD2  ASN 117          HD22      ASN 117   9.220   7.212   6.901
  868    H    ARG 118           HN       ARG 118  10.989   6.859   0.860
  869    HA   ARG 118           HA       ARG 118  12.129   9.156  -0.205
  870   1HB   ARG 118          HB2       ARG 118  12.554   8.008  -2.243
  871   2HB   ARG 118          HB1       ARG 118  12.908   6.949  -0.859
  872   1HG   ARG 118          HG2       ARG 118  11.451   5.376  -1.552
  873   2HG   ARG 118          HG1       ARG 118  10.108   6.481  -1.803
  874   1HD   ARG 118          HD1       ARG 118  10.655   6.919  -4.068
  875   2HD   ARG 118          HD2       ARG 118  12.402   6.530  -3.861
  876    HE   ARG 118           HE       ARG 118  10.175   4.611  -4.365
  877   1HH1  ARG 118          HH11      ARG 118  13.550   4.982  -3.219
  878   2HH1  ARG 118          HH12      ARG 118  13.968   3.326  -3.516
  879   1HH2  ARG 118          HH21      ARG 118  10.779   2.389  -4.749
  880   2HH2  ARG 118          HH22      ARG 118  12.384   1.846  -4.389
  881    H    LEU 119           HN       LEU 119   9.004   7.643  -0.483
  882    HA   LEU 119           HA       LEU 119   7.645   9.380  -2.456
  883   1HB   LEU 119          HB1       LEU 119   7.035   7.142  -2.850
  884   2HB   LEU 119          HB2       LEU 119   6.977   6.651  -1.197
  885    HG   LEU 119           HG       LEU 119   5.158   8.712  -2.637
  886   1HD1  LEU 119          HD11      LEU 119   5.115   6.301  -3.749
  887   2HD1  LEU 119          HD12      LEU 119   3.522   6.893  -3.152
  888   3HD1  LEU 119          HD13      LEU 119   4.428   5.726  -2.185
  889   1HD2  LEU 119          HD21      LEU 119   4.426   8.825  -0.381
  890   2HD2  LEU 119          HD22      LEU 119   4.825   7.091  -0.045
  891   3HD2  LEU 119          HD23      LEU 119   3.357   7.534  -1.004
  892    H    ARG 120           HN       ARG 120   7.612   8.659   1.041
  893    HA   ARG 120           HA       ARG 120   5.370   9.474   1.609
  894   1HB   ARG 120          HB1       ARG 120   6.114   9.661   4.015
  895   2HB   ARG 120          HB2       ARG 120   7.347   8.599   3.358
  896   1HG   ARG 120          HG2       ARG 120   8.765  10.061   4.397
  897   2HG   ARG 120          HG1       ARG 120   8.518  11.161   3.031
  898   1HD   ARG 120          HD2       ARG 120   8.290  12.323   5.216
  899   2HD   ARG 120          HD1       ARG 120   6.653  12.293   4.434
  900    HE   ARG 120           HE       ARG 120   7.054   9.942   6.124
  901   1HH1  ARG 120          HH11      ARG 120   6.350  13.441   6.319
  902   2HH1  ARG 120          HH12      ARG 120   5.474  13.316   7.810
  903   1HH2  ARG 120          HH21      ARG 120   5.873   9.797   8.122
  904   2HH2  ARG 120          HH22      ARG 120   5.200  11.220   8.846
  905    H    GLU 121           HN       GLU 121   7.630  12.051   1.047
  906    HA   GLU 121           HA       GLU 121   5.826  14.168   1.912
  907   1HB   GLU 121          HB2       GLU 121   7.804  15.616   1.324
  908   2HB   GLU 121          HB1       GLU 121   8.136  14.359   2.553
  909   1HG   GLU 121          HG1       GLU 121   9.231  12.883   0.834
  910   2HG   GLU 121          HG2       GLU 121   8.926  14.132  -0.429
  911    H    GLN 122           HN       GLN 122   6.494  12.392  -1.051
  912    HA   GLN 122           HA       GLN 122   5.464  14.543  -2.737
  913   1HB   GLN 122          HB2       GLN 122   6.414  13.312  -4.663
  914   2HB   GLN 122          HB1       GLN 122   7.602  13.991  -3.506
  915   1HG   GLN 122          HG1       GLN 122   8.081  11.789  -2.565
  916   2HG   GLN 122          HG2       GLN 122   6.840  10.967  -3.597
  917   1HE2  GLN 122          HE21      GLN 122   9.903  10.644  -3.408
  918   2HE2  GLN 122          HE22      GLN 122  10.460  10.915  -5.062
  919    H    TYR 123           HN       TYR 123   4.818  10.938  -1.987
  920    HA   TYR 123           HA       TYR 123   2.199  11.608  -3.375
  921   1HB   TYR 123          HB2       TYR 123   3.082   8.800  -3.952
  922   2HB   TYR 123          HB1       TYR 123   2.084   9.952  -4.870
  923    HD1  TYR 123           HD1      TYR 123   3.510  12.017  -5.955
  924    HD2  TYR 123           HD2      TYR 123   5.059   8.284  -4.662
  925    HE1  TYR 123           HE1      TYR 123   5.475  12.263  -7.428
  926    HE2  TYR 123           HE2      TYR 123   7.014   8.569  -5.867
  927    HH   TYR 123           HH       TYR 123   8.023  11.307  -7.062
  928    H    GLY 124           HN       GLY 124   2.838  10.679  -0.060
  929   1HA   GLY 124          HA2       GLY 124   0.337   9.729   0.095
  930   2HA   GLY 124          HA1       GLY 124   1.292   8.244  -0.276
  931    H    LEU 125           HN       LEU 125   3.365   8.099   1.087
  932    HA   LEU 125           HA       LEU 125   2.616   7.612   3.556
  933   1HB   LEU 125          HB2       LEU 125   5.143   7.101   2.202
  934   2HB   LEU 125          HB1       LEU 125   5.256   7.227   3.996
  935    HG   LEU 125           HG       LEU 125   5.019   5.024   3.470
  936   1HD1  LEU 125          HD11      LEU 125   3.458   5.537   5.295
  937   2HD1  LEU 125          HD12      LEU 125   2.934   4.157   4.243
  938   3HD1  LEU 125          HD13      LEU 125   2.090   5.764   4.209
  939   1HD2  LEU 125          HD21      LEU 125   2.787   5.614   1.465
  940   2HD2  LEU 125          HD22      LEU 125   3.601   4.015   1.779
  941   3HD2  LEU 125          HD23      LEU 125   4.519   5.354   1.071
  942    H    GLY 126           HN       GLY 126   2.486  10.554   3.238
  943   1HA   GLY 126          HA2       GLY 126   2.236  10.999   6.037
  944   2HA   GLY 126          HA1       GLY 126   3.733  11.807   5.441
  945    HA   PRO 127           HA       PRO 127   0.314  14.557   3.728
  946   1HB   PRO 127          HB2       PRO 127  -2.286  14.425   4.556
  947   2HB   PRO 127          HB1       PRO 127  -1.627  13.154   3.459
  948   1HG   PRO 127          HG2       PRO 127  -1.934  13.017   6.511
  949   2HG   PRO 127          HG1       PRO 127  -2.538  11.848   5.317
  950   1HD   PRO 127          HD2       PRO 127  -0.006  11.554   6.567
  951   2HD   PRO 127          HD1       PRO 127  -0.330  10.945   4.884
  952    H    TYR 128           HN       TYR 128   0.144  13.661   7.089
  953    HA   TYR 128           HA       TYR 128   0.148  16.417   8.124
  954   1HB   TYR 128          HB2       TYR 128  -1.985  14.997   8.402
  955   2HB   TYR 128          HB1       TYR 128  -1.075  13.906   9.494
  956    HD1  TYR 128           HD1      TYR 128  -0.535  14.723  11.745
  957    HD2  TYR 128           HD2      TYR 128  -2.485  17.281   8.950
  958    HE1  TYR 128           HE1      TYR 128  -1.156  16.232  13.571
  959    HE2  TYR 128           HE2      TYR 128  -3.125  18.792  10.790
  960    HH   TYR 128           HH       TYR 128  -2.300  18.097  14.165
  961    H    GLU 129           HN       GLU 129   1.571  16.794   9.878
  962    HA   GLU 129           HA       GLU 129   3.818  14.902  10.129
  963   1HB   GLU 129          HB2       GLU 129   3.655  17.889  10.850
  964   2HB   GLU 129          HB1       GLU 129   5.128  16.858  10.872
  965   1HG   GLU 129          HG1       GLU 129   3.483  17.693   8.393
  966   2HG   GLU 129          HG2       GLU 129   5.090  18.324   8.895
  Start of MODEL    5
    1    H    ASN   7           HN       ASN   7 -15.233  13.782  -1.185
    2    HA   ASN   7           HA       ASN   7 -15.459  11.062  -1.857
    3   1HB   ASN   7          HB2       ASN   7 -16.118  12.018  -4.152
    4   2HB   ASN   7          HB1       ASN   7 -17.055  12.624  -2.751
    5   1HD2  ASN   7          HD21      ASN   7 -15.218  13.619  -5.459
    6   2HD2  ASN   7          HD22      ASN   7 -15.259  15.356  -5.029
    7    H    SER   8           HN       SER   8 -12.779  12.993  -1.598
    8    HA   SER   8           HA       SER   8 -11.206  12.214  -3.852
    9   1HB   SER   8          HB2       SER   8  -9.336  13.341  -2.539
   10   2HB   SER   8          HB1       SER   8 -10.806  14.347  -2.749
   11    HG   SER   8           HG       SER   8  -9.648  13.764  -0.487
   12    H    PHE   9           HN       PHE   9 -11.013  11.370  -0.388
   13    HA   PHE   9           HA       PHE   9  -9.146   9.157  -0.960
   14   1HB   PHE   9          HB1       PHE   9 -10.046  10.346   1.726
   15   2HB   PHE   9          HB2       PHE   9  -8.699   9.168   1.484
   16    HD1  PHE   9           HD1      PHE   9  -9.074  12.383   2.302
   17    HD2  PHE   9           HD2      PHE   9  -7.269  10.136  -0.849
   18    HE1  PHE   9           HE1      PHE   9  -7.627  14.281   1.771
   19    HE2  PHE   9           HE2      PHE   9  -5.901  12.060  -1.432
   20    HZ   PHE   9           HZ       PHE   9  -6.049  14.146  -0.121
   21    H    VAL  10           HN       VAL  10 -12.509   9.442  -0.615
   22    HA   VAL  10           HA       VAL  10 -12.893   7.005   0.765
   23    HB   VAL  10           HB       VAL  10 -14.992   7.415   0.932
   24   1HG1  VAL  10          HG21      VAL  10 -13.637   9.600   1.368
   25   2HG1  VAL  10          HG22      VAL  10 -15.392   9.824   0.994
   26   3HG1  VAL  10          HG23      VAL  10 -14.169  10.123  -0.270
   27   1HG2  VAL  10          HG11      VAL  10 -16.469   8.464  -0.729
   28   2HG2  VAL  10          HG12      VAL  10 -15.788   6.917  -1.329
   29   3HG2  VAL  10          HG13      VAL  10 -15.128   8.497  -1.950
   30    H    GLY  11           HN       GLY  11 -11.624   7.080  -2.340
   31   1HA   GLY  11          HA2       GLY  11 -12.175   4.192  -2.554
   32   2HA   GLY  11          HA1       GLY  11 -12.334   5.341  -4.028
   33    H    LEU  12           HN       LEU  12 -10.042   5.457  -1.310
   34    HA   LEU  12           HA       LEU  12  -7.785   5.735  -3.073
   35   1HB   LEU  12          HB1       LEU  12  -8.477   6.919  -0.928
   36   2HB   LEU  12          HB2       LEU  12  -7.825   5.515  -0.030
   37    HG   LEU  12           HG       LEU  12  -5.414   6.348  -0.821
   38   1HD1  LEU  12          HD21      LEU  12  -5.759   7.645  -2.751
   39   2HD1  LEU  12          HD22      LEU  12  -5.672   8.842  -1.406
   40   3HD1  LEU  12          HD23      LEU  12  -7.272   8.406  -2.119
   41   1HD2  LEU  12          HD11      LEU  12  -6.384   8.505   0.729
   42   2HD2  LEU  12          HD12      LEU  12  -6.006   6.834   1.352
   43   3HD2  LEU  12          HD13      LEU  12  -7.662   7.297   0.957
   44    H    ARG  13           HN       ARG  13  -5.802   4.857  -2.568
   45    HA   ARG  13           HA       ARG  13  -5.753   1.870  -2.379
   46   1HB   ARG  13          HB2       ARG  13  -3.930   3.863  -3.941
   47   2HB   ARG  13          HB1       ARG  13  -3.718   2.090  -3.920
   48   1HG   ARG  13          HG1       ARG  13  -5.866   1.785  -5.089
   49   2HG   ARG  13          HG2       ARG  13  -6.175   3.562  -5.055
   50   1HD   ARG  13          HD2       ARG  13  -4.086   3.960  -6.388
   51   2HD   ARG  13          HD1       ARG  13  -3.756   2.189  -6.437
   52    HE   ARG  13           HE       ARG  13  -5.961   3.719  -7.836
   53   1HH1  ARG  13          HH11      ARG  13  -4.363   0.556  -7.307
   54   2HH1  ARG  13          HH12      ARG  13  -5.014  -0.148  -8.751
   55   1HH2  ARG  13          HH21      ARG  13  -6.795   2.759  -9.755
   56   2HH2  ARG  13          HH22      ARG  13  -6.414   1.118 -10.156
   57    H    VAL  14           HN       VAL  14  -4.766   1.297  -0.291
   58    HA   VAL  14           HA       VAL  14  -2.682   3.203   0.586
   59    HB   VAL  14           HB       VAL  14  -3.554   3.331   2.797
   60   1HG1  VAL  14          HG21      VAL  14  -5.339   4.874   2.282
   61   2HG1  VAL  14          HG22      VAL  14  -5.841   3.936   0.801
   62   3HG1  VAL  14          HG23      VAL  14  -4.322   4.858   0.802
   63   1HG2  VAL  14          HG11      VAL  14  -5.754   2.768   3.453
   64   2HG2  VAL  14          HG12      VAL  14  -4.789   1.307   3.143
   65   3HG2  VAL  14          HG13      VAL  14  -6.038   1.891   1.930
   66    H    VAL  15           HN       VAL  15  -1.430   2.575   2.390
   67    HA   VAL  15           HA       VAL  15  -0.989  -0.375   2.539
   68    HB   VAL  15           HB       VAL  15   1.457  -0.100   2.896
   69   1HG1  VAL  15          HG21      VAL  15   0.122   0.276   0.131
   70   2HG1  VAL  15          HG22      VAL  15   0.600  -1.250   0.932
   71   3HG1  VAL  15          HG23      VAL  15   1.878  -0.122   0.358
   72   1HG2  VAL  15          HG11      VAL  15   0.777   2.641   1.690
   73   2HG2  VAL  15          HG12      VAL  15   2.419   1.913   1.578
   74   3HG2  VAL  15          HG13      VAL  15   1.682   2.282   3.188
   75    H    ALA  16           HN       ALA  16   0.065  -1.012   4.479
   76    HA   ALA  16           HA       ALA  16  -1.155   0.502   6.685
   77   1HB   ALA  16          HB1       ALA  16  -2.389  -1.411   5.387
   78   2HB   ALA  16          HB2       ALA  16  -2.264  -1.645   7.172
   79   3HB   ALA  16          HB3       ALA  16  -1.206  -2.528   6.007
   80    H    LYS  17           HN       LYS  17   0.386   1.270   8.003
   81    HA   LYS  17           HA       LYS  17   2.329  -0.660   9.115
   82   1HB   LYS  17          HB1       LYS  17   2.731   1.899   7.873
   83   2HB   LYS  17          HB2       LYS  17   3.007   2.202   9.609
   84   1HG   LYS  17          HG2       LYS  17   4.599   0.026   9.262
   85   2HG   LYS  17          HG1       LYS  17   4.407   0.490   7.511
   86   1HD   LYS  17          HD1       LYS  17   5.421   2.295   9.839
   87   2HD   LYS  17          HD2       LYS  17   6.423   1.534   8.550
   88   1HE   LYS  17          HE2       LYS  17   6.252   3.738   7.787
   89   2HE   LYS  17          HE1       LYS  17   4.889   2.992   6.872
   90   1HZ   LYS  17          HZ1       LYS  17   4.713   4.529   9.409
   91   2HZ   LYS  17          HZ2       LYS  17   3.408   3.826   8.582
   92   3HZ   LYS  17          HZ3       LYS  17   4.303   5.071   7.852
   93    H    TRP  18           HN       TRP  18   2.026  -0.807  11.600
   94    HA   TRP  18           HA       TRP  18  -0.082   1.032  12.633
   95   1HB   TRP  18          HB2       TRP  18   0.986  -1.573  13.736
   96   2HB   TRP  18          HB1       TRP  18   0.073  -0.420  14.748
   97    HD1  TRP  18           HD1      TRP  18  -0.760  -3.203  12.247
   98    HE1  TRP  18           HE1      TRP  18  -3.357  -3.125  12.021
   99    HE3  TRP  18           HE3      TRP  18  -1.526   1.387  14.286
  100    HZ2  TRP  18           HZ2      TRP  18  -5.419  -1.288  12.680
  101    HZ3  TRP  18           HZ3      TRP  18  -3.748   2.091  14.734
  102    HH2  TRP  18           HH2      TRP  18  -5.710   0.824  13.921
  103    H    SER  19           HN       SER  19   3.206   0.138  13.626
  104    HA   SER  19           HA       SER  19   3.675   2.880  14.571
  105   1HB   SER  19          HB2       SER  19   3.292   1.379  16.603
  106   2HB   SER  19          HB1       SER  19   4.656   0.340  16.058
  107    HG   SER  19           HG       SER  19   5.143   2.076  17.626
  108    H    SER  20           HN       SER  20   6.021   3.371  13.914
  109    HA   SER  20           HA       SER  20   6.544   2.358  11.416
  110   1HB   SER  20          HB1       SER  20   8.498   3.799  13.254
  111   2HB   SER  20          HB2       SER  20   8.626   3.642  11.448
  112    HG   SER  20           HG       SER  20   7.600   5.565  11.932
  113    H    ASN  21           HN       ASN  21   7.011   0.428  10.792
  114    HA   ASN  21           HA       ASN  21   8.480  -1.400  12.492
  115   1HB   ASN  21          HB2       ASN  21   6.675  -1.391   9.928
  116   2HB   ASN  21          HB1       ASN  21   7.371  -2.968  10.512
  117   1HD2  ASN  21          HD21      ASN  21   6.974  -2.889  13.262
  118   2HD2  ASN  21          HD22      ASN  21   5.270  -2.599  13.587
  119    H    GLY  22           HN       GLY  22   8.993  -0.009   9.360
  120   1HA   GLY  22          HA2       GLY  22  11.100  -0.049   8.272
  121   2HA   GLY  22          HA1       GLY  22  11.368  -1.701   8.889
  122    H    TYR  23           HN       TYR  23   8.396  -2.285   8.308
  123    HA   TYR  23           HA       TYR  23   8.038  -1.698   5.603
  124   1HB   TYR  23          HB2       TYR  23   7.274  -4.058   4.866
  125   2HB   TYR  23          HB1       TYR  23   8.922  -3.361   4.741
  126    HD1  TYR  23           HD1      TYR  23  10.440  -5.044   5.047
  127    HD2  TYR  23           HD2      TYR  23   6.949  -5.105   7.491
  128    HE1  TYR  23           HE1      TYR  23  11.198  -7.129   6.073
  129    HE2  TYR  23           HE2      TYR  23   7.718  -7.186   8.534
  130    HH   TYR  23           HH       TYR  23  10.271  -9.092   7.163
  131    H    PHE  24           HN       PHE  24   6.008  -1.884   4.628
  132    HA   PHE  24           HA       PHE  24   3.782  -1.722   6.594
  133   1HB   PHE  24          HB1       PHE  24   3.038  -0.103   4.324
  134   2HB   PHE  24          HB2       PHE  24   3.079   0.308   6.015
  135    HD1  PHE  24           HD1      PHE  24   3.930   2.012   3.165
  136    HD2  PHE  24           HD2      PHE  24   6.099   0.349   6.532
  137    HE1  PHE  24           HE1      PHE  24   5.717   3.605   3.011
  138    HE2  PHE  24           HE2      PHE  24   7.943   1.664   6.035
  139    HZ   PHE  24           HZ       PHE  24   7.799   3.332   4.312
  140    H    TYR  25           HN       TYR  25   2.036  -2.629   6.050
  141    HA   TYR  25           HA       TYR  25   1.861  -4.786   4.169
  142   1HB   TYR  25          HB2       TYR  25   0.129  -4.128   6.683
  143   2HB   TYR  25          HB1       TYR  25   0.231  -5.729   5.835
  144    HD1  TYR  25           HD1      TYR  25   2.875  -6.497   5.599
  145    HD2  TYR  25           HD2      TYR  25   1.251  -4.017   8.669
  146    HE1  TYR  25           HE1      TYR  25   4.806  -6.996   7.033
  147    HE2  TYR  25           HE2      TYR  25   3.161  -4.533  10.102
  148    HH   TYR  25           HH       TYR  25   5.043  -5.647  10.331
  149    H    SER  26           HN       SER  26  -0.865  -5.072   4.021
  150    HA   SER  26           HA       SER  26  -1.422  -2.972   2.064
  151   1HB   SER  26          HB2       SER  26  -2.891  -4.811   1.251
  152   2HB   SER  26          HB1       SER  26  -1.120  -5.267   1.376
  153    HG   SER  26           HG       SER  26  -3.137  -5.844   3.299
  154    H    GLY  27           HN       GLY  27  -3.190  -1.505   2.094
  155   1HA   GLY  27          HA2       GLY  27  -5.661  -2.282   3.487
  156   2HA   GLY  27          HA1       GLY  27  -4.841  -0.734   3.843
  157    H    LYS  28           HN       LYS  28  -7.605  -0.918   3.048
  158    HA   LYS  28           HA       LYS  28  -7.377   0.780   0.608
  159   1HB   LYS  28          HB2       LYS  28  -9.436  -0.018  -0.380
  160   2HB   LYS  28          HB1       LYS  28  -8.188  -1.287  -0.254
  161   1HG   LYS  28          HG2       LYS  28  -9.329  -2.178   1.825
  162   2HG   LYS  28          HG1       LYS  28 -10.648  -0.993   1.590
  163   1HD   LYS  28          HD1       LYS  28 -11.054  -2.023  -0.727
  164   2HD   LYS  28          HD2       LYS  28  -9.769  -3.222  -0.354
  165   1HE   LYS  28          HE2       LYS  28 -11.933  -4.275   0.091
  166   2HE   LYS  28          HE1       LYS  28 -11.149  -3.957   1.694
  167   1HZ   LYS  28          HZ1       LYS  28 -12.484  -1.958   1.866
  168   2HZ   LYS  28          HZ2       LYS  28 -13.455  -3.339   1.675
  169   3HZ   LYS  28          HZ3       LYS  28 -13.221  -2.278   0.369
  170    H    ILE  29           HN       ILE  29  -8.784   2.875   0.644
  171    HA   ILE  29           HA       ILE  29  -9.975   3.305   3.315
  172    HB   ILE  29           HB       ILE  29  -9.366   5.270   1.094
  173   1HG1  ILE  29          HG11      ILE  29  -7.365   4.339   1.915
  174   2HG1  ILE  29          HG12      ILE  29  -7.492   5.972   2.662
  175   1HG2  ILE  29          HG21      ILE  29  -9.490   7.051   2.824
  176   2HG2  ILE  29          HG22      ILE  29 -10.101   5.876   4.023
  177   3HG2  ILE  29          HG23      ILE  29 -11.075   6.307   2.564
  178   1HD1  ILE  29          HD11      ILE  29  -6.685   4.519   4.394
  179   2HD1  ILE  29          HD12      ILE  29  -7.815   3.212   3.962
  180   3HD1  ILE  29          HD13      ILE  29  -8.446   4.709   4.758
  181    H    THR  30           HN       THR  30 -11.915   3.984   3.769
  182    HA   THR  30           HA       THR  30 -13.986   3.949   1.632
  183    HB   THR  30           HB       THR  30 -14.403   3.051   4.515
  184    HG1  THR  30           HG1      THR  30 -13.436   1.753   2.281
  185   1HG2  THR  30          HG21      THR  30 -16.509   3.682   3.225
  186   2HG2  THR  30          HG22      THR  30 -16.387   1.904   3.487
  187   3HG2  THR  30          HG23      THR  30 -15.978   2.606   1.876
  188    H    ARG  31           HN       ARG  31 -12.549   5.903   4.409
  189    HA   ARG  31           HA       ARG  31 -14.293   8.035   3.584
  190   1HB   ARG  31          HB2       ARG  31 -15.799   6.903   5.191
  191   2HB   ARG  31          HB1       ARG  31 -14.481   6.660   6.371
  192   1HG   ARG  31          HG2       ARG  31 -14.394   9.048   6.878
  193   2HG   ARG  31          HG1       ARG  31 -15.562   9.426   5.545
  194   1HD   ARG  31          HD2       ARG  31 -17.361   8.200   6.740
  195   2HD   ARG  31          HD1       ARG  31 -16.217   7.698   8.043
  196    HE   ARG  31           HE       ARG  31 -17.393  10.413   7.565
  197   1HH1  ARG  31          HH11      ARG  31 -14.916   8.541   9.346
  198   2HH1  ARG  31          HH12      ARG  31 -14.646   9.781  10.527
  199   1HH2  ARG  31          HH21      ARG  31 -17.006  12.055   9.157
  200   2HH2  ARG  31          HH22      ARG  31 -15.847  11.796  10.419
  201    H    ASP  32           HN       ASP  32 -13.243  10.091   4.881
  202    HA   ASP  32           HA       ASP  32 -10.453   9.464   5.680
  203   1HB   ASP  32          HB1       ASP  32 -10.008  11.931   5.253
  204   2HB   ASP  32          HB2       ASP  32 -10.258  10.856   3.845
  205    H    VAL  33           HN       VAL  33  -9.708  10.096   7.722
  206    HA   VAL  33           HA       VAL  33 -11.773  11.182   9.567
  207    HB   VAL  33           HB       VAL  33  -9.953  10.192  11.338
  208   1HG1  VAL  33          HG21      VAL  33 -11.728   8.545  11.810
  209   2HG1  VAL  33          HG22      VAL  33 -12.428   8.781  10.167
  210   3HG1  VAL  33          HG23      VAL  33 -12.456  10.125  11.373
  211   1HG2  VAL  33          HG11      VAL  33 -10.303   7.882   9.326
  212   2HG2  VAL  33          HG12      VAL  33  -9.299   7.852  10.785
  213   3HG2  VAL  33          HG13      VAL  33  -8.775   8.809   9.451
  214    H    GLY  34           HN       GLY  34 -11.462  13.141  10.235
  215   1HA   GLY  34          HA2       GLY  34 -10.749  15.262   9.883
  216   2HA   GLY  34          HA1       GLY  34  -9.799  14.674  11.281
  217    H    ALA  35           HN       ALA  35  -7.788  15.397  11.336
  218    HA   ALA  35           HA       ALA  35  -6.307  16.154   8.871
  219   1HB   ALA  35          HB1       ALA  35  -6.015  17.028  11.840
  220   2HB   ALA  35          HB2       ALA  35  -6.790  18.021  10.558
  221   3HB   ALA  35          HB3       ALA  35  -5.035  17.655  10.455
  222    H    GLY  36           HN       GLY  36  -5.071  14.718   8.150
  223   1HA   GLY  36          HA2       GLY  36  -3.301  13.415   8.003
  224   2HA   GLY  36          HA1       GLY  36  -2.961  13.621   9.760
  225    H    LYS  37           HN       LYS  37  -6.077  12.301   8.634
  226    HA   LYS  37           HA       LYS  37  -5.192   9.620   9.168
  227   1HB   LYS  37          HB2       LYS  37  -7.566   9.692  10.704
  228   2HB   LYS  37          HB1       LYS  37  -5.903   9.572  11.272
  229   1HG   LYS  37          HG1       LYS  37  -5.667  11.859  11.740
  230   2HG   LYS  37          HG2       LYS  37  -7.185  12.310  10.895
  231   1HD   LYS  37          HD1       LYS  37  -8.482  10.923  12.585
  232   2HD   LYS  37          HD2       LYS  37  -6.951  10.642  13.470
  233   1HE   LYS  37          HE2       LYS  37  -8.186  13.423  12.845
  234   2HE   LYS  37          HE1       LYS  37  -8.292  12.581  14.437
  235   1HZ   LYS  37          HZ1       LYS  37  -5.794  13.444  13.084
  236   2HZ   LYS  37          HZ2       LYS  37  -5.899  12.652  14.584
  237   3HZ   LYS  37          HZ3       LYS  37  -6.554  14.209  14.398
  238    H    TYR  38           HN       TYR  38  -6.705   7.925   8.741
  239    HA   TYR  38           HA       TYR  38  -8.338   8.337   6.361
  240   1HB   TYR  38          HB1       TYR  38  -5.934   6.504   6.745
  241   2HB   TYR  38          HB2       TYR  38  -7.161   6.252   5.447
  242    HD1  TYR  38           HD1      TYR  38  -7.812   8.531   4.169
  243    HD2  TYR  38           HD2      TYR  38  -4.154   7.729   6.102
  244    HE1  TYR  38           HE1      TYR  38  -6.842  10.545   3.151
  245    HE2  TYR  38           HE2      TYR  38  -3.045   9.605   4.945
  246    HH   TYR  38           HH       TYR  38  -3.501  11.358   3.329
  247    H    LYS  39           HN       LYS  39 -10.386   6.803   6.389
  248    HA   LYS  39           HA       LYS  39 -10.503   4.850   8.651
  249   1HB   LYS  39          HB2       LYS  39 -12.385   6.700   8.528
  250   2HB   LYS  39          HB1       LYS  39 -12.758   6.002   6.920
  251   1HG   LYS  39          HG1       LYS  39 -12.827   3.661   8.308
  252   2HG   LYS  39          HG2       LYS  39 -13.044   4.784   9.694
  253   1HD   LYS  39          HD2       LYS  39 -15.232   4.159   9.084
  254   2HD   LYS  39          HD1       LYS  39 -15.044   5.746   8.264
  255   1HE   LYS  39          HE2       LYS  39 -14.379   4.459   6.142
  256   2HE   LYS  39          HE1       LYS  39 -14.674   2.905   7.017
  257   1HZ   LYS  39          HZ1       LYS  39 -16.550   3.570   5.689
  258   2HZ   LYS  39          HZ2       LYS  39 -16.682   5.048   6.514
  259   3HZ   LYS  39          HZ3       LYS  39 -16.962   3.588   7.336
  260    H    LEU  40           HN       LEU  40 -10.057   3.061   8.249
  261    HA   LEU  40           HA       LEU  40 -10.082   2.323   5.335
  262   1HB   LEU  40          HB1       LEU  40  -7.775   1.662   5.533
  263   2HB   LEU  40          HB2       LEU  40  -7.898   3.233   6.380
  264    HG   LEU  40           HG       LEU  40  -6.574   2.185   7.765
  265   1HD1  LEU  40          HD11      LEU  40  -7.456   1.704   9.862
  266   2HD1  LEU  40          HD12      LEU  40  -9.066   1.341   9.130
  267   3HD1  LEU  40          HD13      LEU  40  -8.376   3.048   9.091
  268   1HD2  LEU  40          HD21      LEU  40  -6.317  -0.185   8.194
  269   2HD2  LEU  40          HD22      LEU  40  -6.937  -0.157   6.476
  270   3HD2  LEU  40          HD23      LEU  40  -8.037  -0.522   7.841
  271    H    LEU  41           HN       LEU  41  -9.927   0.170   4.730
  272    HA   LEU  41           HA       LEU  41 -10.249  -1.707   6.955
  273   1HB   LEU  41          HB2       LEU  41 -12.328  -0.921   6.474
  274   2HB   LEU  41          HB1       LEU  41 -12.246  -1.211   4.690
  275    HG   LEU  41           HG       LEU  41 -12.073  -3.447   6.775
  276   1HD1  LEU  41          HD11      LEU  41 -14.330  -2.147   6.951
  277   2HD1  LEU  41          HD12      LEU  41 -14.494  -3.887   6.529
  278   3HD1  LEU  41          HD13      LEU  41 -14.655  -2.615   5.258
  279   1HD2  LEU  41          HD21      LEU  41 -11.423  -4.065   4.388
  280   2HD2  LEU  41          HD22      LEU  41 -12.912  -3.291   3.771
  281   3HD2  LEU  41          HD23      LEU  41 -13.043  -4.785   4.733
  282    H    PHE  42           HN       PHE  42  -9.092  -3.578   6.675
  283    HA   PHE  42           HA       PHE  42  -6.987  -3.309   4.637
  284   1HB   PHE  42          HB2       PHE  42  -7.627  -5.639   6.557
  285   2HB   PHE  42          HB1       PHE  42  -6.373  -5.792   5.259
  286    HD1  PHE  42           HD1      PHE  42  -7.004  -2.848   7.659
  287    HD2  PHE  42           HD2      PHE  42  -4.437  -6.007   6.345
  288    HE1  PHE  42           HE1      PHE  42  -5.199  -1.991   9.062
  289    HE2  PHE  42           HE2      PHE  42  -2.657  -5.139   7.761
  290    HZ   PHE  42           HZ       PHE  42  -3.001  -3.087   9.077
  291    H    ASP  43           HN       ASP  43  -6.708  -4.729   2.622
  292    HA   ASP  43           HA       ASP  43  -9.124  -5.096   1.301
  293   1HB   ASP  43          HB2       ASP  43  -7.969  -5.851  -0.623
  294   2HB   ASP  43          HB1       ASP  43  -7.098  -4.496   0.155
  295    H    ASP  44           HN       ASP  44  -7.930  -7.067   3.541
  296    HA   ASP  44           HA       ASP  44  -9.347  -9.530   2.884
  297   1HB   ASP  44          HB1       ASP  44  -7.751 -10.635   4.426
  298   2HB   ASP  44          HB2       ASP  44  -6.942  -9.719   3.101
  299    H    GLY  45           HN       GLY  45 -10.041  -6.633   4.613
  300   1HA   GLY  45          HA2       GLY  45 -12.060  -6.385   5.435
  301   2HA   GLY  45          HA1       GLY  45 -12.156  -8.120   6.035
  302    H    TYR  46           HN       TYR  46  -9.452  -6.167   7.145
  303    HA   TYR  46           HA       TYR  46 -10.723  -6.076   9.820
  304   1HB   TYR  46          HB1       TYR  46  -8.524  -7.294   9.499
  305   2HB   TYR  46          HB2       TYR  46  -7.760  -5.737   9.030
  306    HD1  TYR  46           HD1      TYR  46  -7.029  -4.240  10.696
  307    HD2  TYR  46           HD2      TYR  46  -9.529  -7.504  11.814
  308    HE1  TYR  46           HE1      TYR  46  -6.627  -3.729  13.064
  309    HE2  TYR  46           HE2      TYR  46  -9.130  -6.995  14.193
  310    HH   TYR  46           HH       TYR  46  -7.266  -4.140  15.174
  311    H    GLU  47           HN       GLU  47 -11.894  -4.145  10.125
  312    HA   GLU  47           HA       GLU  47 -10.899  -1.679   8.953
  313   1HB   GLU  47          HB2       GLU  47 -13.241  -2.303   8.645
  314   2HB   GLU  47          HB1       GLU  47 -13.552  -2.196  10.396
  315   1HG   GLU  47          HG1       GLU  47 -13.408   0.180  10.424
  316   2HG   GLU  47          HG2       GLU  47 -12.386   0.272   8.950
  317    H    CYS  48           HN       CYS  48 -10.725   0.414   9.950
  318    HA   CYS  48           HA       CYS  48 -10.756   0.614  12.821
  319   1HB   CYS  48          HB1       CYS  48  -8.179   0.122  11.275
  320   2HB   CYS  48          HB2       CYS  48  -8.104   1.462  12.454
  321    HG   CYS  48           HG       CYS  48  -9.261  -1.554  13.129
  322    H    ASP  49           HN       ASP  49  -9.682   3.051  13.165
  323    HA   ASP  49           HA       ASP  49 -10.029   4.589  10.713
  324   1HB   ASP  49          HB2       ASP  49 -10.462   5.996  13.484
  325   2HB   ASP  49          HB1       ASP  49 -10.786   6.603  11.842
  326    H    VAL  50           HN       VAL  50  -7.934   5.642  10.510
  327    HA   VAL  50           HA       VAL  50  -6.294   5.473  12.886
  328    HB   VAL  50           HB       VAL  50  -6.570   3.272  11.474
  329   1HG1  VAL  50          HG11      VAL  50  -4.455   4.591   9.674
  330   2HG1  VAL  50          HG12      VAL  50  -6.224   4.518   9.284
  331   3HG1  VAL  50          HG13      VAL  50  -5.294   2.987   9.559
  332   1HG2  VAL  50          HG21      VAL  50  -4.326   2.551  12.005
  333   2HG2  VAL  50          HG22      VAL  50  -5.165   3.454  13.328
  334   3HG2  VAL  50          HG23      VAL  50  -3.806   4.232  12.379
  335    H    LEU  51           HN       LEU  51  -3.985   6.170  12.343
  336    HA   LEU  51           HA       LEU  51  -4.173   8.657  10.888
  337   1HB   LEU  51          HB2       LEU  51  -2.095   7.361  12.745
  338   2HB   LEU  51          HB1       LEU  51  -1.701   8.868  11.854
  339    HG   LEU  51           HG       LEU  51  -2.261   9.267  14.204
  340   1HD1  LEU  51          HD21      LEU  51  -3.689  11.269  13.667
  341   2HD1  LEU  51          HD22      LEU  51  -4.103  10.494  12.093
  342   3HD1  LEU  51          HD23      LEU  51  -2.415  10.996  12.402
  343   1HD2  LEU  51          HD11      LEU  51  -5.208   8.718  13.492
  344   2HD2  LEU  51          HD12      LEU  51  -4.535   9.314  15.050
  345   3HD2  LEU  51          HD13      LEU  51  -4.184   7.628  14.519
  346    H    GLY  52           HN       GLY  52  -2.676   9.659   9.660
  347   1HA   GLY  52          HA2       GLY  52  -2.892   8.197   7.329
  348   2HA   GLY  52          HA1       GLY  52  -2.420   9.899   7.443
  349    H    LYS  53           HN       LYS  53  -0.419   8.561   9.328
  350    HA   LYS  53           HA       LYS  53   1.871   8.419   7.424
  351   1HB   LYS  53          HB1       LYS  53   3.196   8.719   9.728
  352   2HB   LYS  53          HB2       LYS  53   2.509  10.109   8.871
  353   1HG   LYS  53          HG2       LYS  53   2.233  10.344  11.271
  354   2HG   LYS  53          HG1       LYS  53   0.677  10.364  10.406
  355   1HD   LYS  53          HD2       LYS  53   0.388   9.234  12.509
  356   2HD   LYS  53          HD1       LYS  53   0.217   8.014  11.205
  357   1HE   LYS  53          HE2       LYS  53   1.394   7.047  13.132
  358   2HE   LYS  53          HE1       LYS  53   2.536   7.141  11.748
  359   1HZ   LYS  53          HZ1       LYS  53   3.540   7.876  13.779
  360   2HZ   LYS  53          HZ2       LYS  53   2.362   9.080  13.994
  361   3HZ   LYS  53          HZ3       LYS  53   3.440   9.170  12.684
  362    H    ASP  54           HN       ASP  54  -0.383   6.459   8.423
  363    HA   ASP  54           HA       ASP  54   1.226   4.129   9.276
  364   1HB   ASP  54          HB1       ASP  54  -1.299   5.272  10.607
  365   2HB   ASP  54          HB2       ASP  54  -0.997   3.513  10.690
  366    H    ILE  55           HN       ILE  55  -2.309   4.635   8.581
  367    HA   ILE  55           HA       ILE  55  -1.960   2.849   6.256
  368    HB   ILE  55           HB       ILE  55  -4.532   3.034   7.791
  369   1HG1  ILE  55          HG11      ILE  55  -4.439   0.778   8.414
  370   2HG1  ILE  55          HG12      ILE  55  -3.050   0.416   7.385
  371   1HG2  ILE  55          HG21      ILE  55  -5.072   1.093   6.135
  372   2HG2  ILE  55          HG22      ILE  55  -3.670   1.670   5.192
  373   3HG2  ILE  55          HG23      ILE  55  -5.084   2.763   5.496
  374   1HD1  ILE  55          HD11      ILE  55  -2.872   2.123   9.968
  375   2HD1  ILE  55          HD12      ILE  55  -1.504   1.406   9.035
  376   3HD1  ILE  55          HD13      ILE  55  -2.635   0.341   9.917
  377    H    LEU  56           HN       LEU  56  -1.647   4.131   4.690
  378    HA   LEU  56           HA       LEU  56  -3.307   6.563   4.467
  379   1HB   LEU  56          HB1       LEU  56  -1.337   7.839   4.275
  380   2HB   LEU  56          HB2       LEU  56  -1.194   6.713   5.651
  381    HG   LEU  56           HG       LEU  56   0.927   6.853   4.543
  382   1HD1  LEU  56          HD21      LEU  56   0.852   4.423   4.833
  383   2HD1  LEU  56          HD22      LEU  56   1.409   4.723   3.126
  384   3HD1  LEU  56          HD23      LEU  56  -0.239   4.202   3.414
  385   1HD2  LEU  56          HD11      LEU  56  -0.115   6.127   1.790
  386   2HD2  LEU  56          HD12      LEU  56   1.310   7.017   2.088
  387   3HD2  LEU  56          HD13      LEU  56  -0.276   7.786   2.452
  388    H    LEU  57           HN       LEU  57  -3.394   7.787   2.557
  389    HA   LEU  57           HA       LEU  57  -3.827   6.649   0.093
  390   1HB   LEU  57          HB1       LEU  57  -3.933   8.905  -0.735
  391   2HB   LEU  57          HB2       LEU  57  -4.536   8.994   0.972
  392    HG   LEU  57           HG       LEU  57  -1.920  10.108  -0.189
  393   1HD1  LEU  57          HD11      LEU  57  -4.404  11.458   0.987
  394   2HD1  LEU  57          HD12      LEU  57  -3.836  11.501  -0.721
  395   3HD1  LEU  57          HD13      LEU  57  -2.855  12.287   0.569
  396   1HD2  LEU  57          HD21      LEU  57  -1.703  11.010   2.282
  397   2HD2  LEU  57          HD22      LEU  57  -1.307   9.290   1.960
  398   3HD2  LEU  57          HD23      LEU  57  -2.914   9.663   2.612
  399    H    CYS  58           HN       CYS  58  -2.301   5.463  -0.927
  400    HA   CYS  58           HA       CYS  58   0.417   6.550  -1.015
  401   1HB   CYS  58          HB2       CYS  58  -0.508   4.579   0.581
  402   2HB   CYS  58          HB1       CYS  58  -0.494   3.612  -0.892
  403    HG   CYS  58           HG       CYS  58   2.151   4.588  -1.345
  404    H    ASP  59           HN       ASP  59   1.101   5.407  -3.059
  405    HA   ASP  59           HA       ASP  59  -0.788   5.618  -5.320
  406   1HB   ASP  59          HB1       ASP  59   2.154   4.730  -5.612
  407   2HB   ASP  59          HB2       ASP  59   1.053   5.348  -6.863
  408    HA   PRO  60           HA       PRO  60   0.691   3.366  -2.423
  409   1HB   PRO  60          HB2       PRO  60   2.192   0.979  -2.087
  410   2HB   PRO  60          HB1       PRO  60   0.678   1.476  -1.318
  411   1HG   PRO  60          HG2       PRO  60   1.155  -0.050  -3.937
  412   2HG   PRO  60          HG1       PRO  60  -0.021  -0.477  -2.629
  413   1HD   PRO  60          HD1       PRO  60  -0.952   0.787  -4.912
  414   2HD   PRO  60          HD2       PRO  60  -1.505   1.380  -3.305
  415    H    ILE  61           HN       ILE  61   2.893   1.651  -4.763
  416    HA   ILE  61           HA       ILE  61   4.634   3.960  -4.082
  417    HB   ILE  61           HB       ILE  61   5.114   1.002  -4.072
  418   1HG1  ILE  61          HG11      ILE  61   4.172   2.447  -1.992
  419   2HG1  ILE  61          HG12      ILE  61   5.628   1.410  -1.834
  420   1HG2  ILE  61          HG21      ILE  61   7.451   1.512  -3.346
  421   2HG2  ILE  61          HG22      ILE  61   7.286   3.207  -3.686
  422   3HG2  ILE  61          HG23      ILE  61   7.260   2.065  -5.103
  423   1HD1  ILE  61          HD11      ILE  61   5.112   4.082  -1.040
  424   2HD1  ILE  61          HD12      ILE  61   6.178   4.294  -2.477
  425   3HD1  ILE  61          HD13      ILE  61   6.686   3.242  -1.117
  426    HA   PRO  62           HA       PRO  62   5.160   5.269  -8.032
  427   1HB   PRO  62          HB2       PRO  62   7.990   3.884  -7.480
  428   2HB   PRO  62          HB1       PRO  62   7.794   5.452  -8.422
  429   1HG   PRO  62          HG1       PRO  62   8.417   4.770  -5.710
  430   2HG   PRO  62          HG2       PRO  62   7.896   6.415  -6.152
  431   1HD   PRO  62          HD1       PRO  62   6.421   4.779  -4.507
  432   2HD   PRO  62          HD2       PRO  62   5.638   5.929  -5.655
  433    H    LEU  63           HN       LEU  63   3.889   3.866  -9.529
  434    HA   LEU  63           HA       LEU  63   4.327   1.381 -10.232
  435   1HB   LEU  63          HB1       LEU  63   2.565   1.396 -11.721
  436   2HB   LEU  63          HB2       LEU  63   2.283   2.479 -10.328
  437    HG   LEU  63           HG       LEU  63   1.292   3.388 -12.230
  438   1HD1  LEU  63          HD21      LEU  63   3.788   5.085 -11.607
  439   2HD1  LEU  63          HD22      LEU  63   2.254   5.012 -10.640
  440   3HD1  LEU  63          HD23      LEU  63   2.242   5.668 -12.318
  441   1HD2  LEU  63          HD11      LEU  63   2.739   2.227 -13.980
  442   2HD2  LEU  63          HD12      LEU  63   3.956   3.521 -13.768
  443   3HD2  LEU  63          HD13      LEU  63   2.307   3.942 -14.365
  444    H    ASP  64           HN       ASP  64   6.629   2.395 -10.616
  445    HA   ASP  64           HA       ASP  64   7.632   1.295 -13.239
  446   1HB   ASP  64          HB2       ASP  64   7.885   3.825 -11.500
  447   2HB   ASP  64          HB1       ASP  64   9.394   3.410 -12.314
  448    H    THR  65           HN       THR  65   7.818   0.830  -9.821
  449    HA   THR  65           HA       THR  65  10.664   0.882  -9.634
  450    HB   THR  65           HB       THR  65   8.685   2.093  -7.668
  451    HG1  THR  65           HG1      THR  65   8.982   3.139  -9.694
  452   1HG2  THR  65          HG21      THR  65  11.777   2.305  -7.687
  453   2HG2  THR  65          HG22      THR  65  10.716   1.625  -6.377
  454   3HG2  THR  65          HG23      THR  65  10.674   3.370  -6.737
  455    H    GLU  66           HN       GLU  66  11.441   0.083  -8.174
  456    HA   GLU  66           HA       GLU  66  11.024  -2.531  -7.313
  457   1HB   GLU  66          HB2       GLU  66  13.265  -1.276  -7.670
  458   2HB   GLU  66          HB1       GLU  66  13.006  -0.546  -6.074
  459   1HG   GLU  66          HG2       GLU  66  14.485  -2.385  -5.717
  460   2HG   GLU  66          HG1       GLU  66  12.902  -2.979  -5.114
  461    H    VAL  67           HN       VAL  67  10.071  -3.245  -5.842
  462    HA   VAL  67           HA       VAL  67   9.445  -2.390  -3.165
  463    HB   VAL  67           HB       VAL  67   6.832  -3.102  -3.804
  464   1HG1  VAL  67          HG11      VAL  67   6.386  -1.108  -2.589
  465   2HG1  VAL  67          HG12      VAL  67   8.066  -0.459  -2.860
  466   3HG1  VAL  67          HG13      VAL  67   7.770  -1.946  -1.849
  467   1HG2  VAL  67          HG21      VAL  67   7.418  -1.930  -6.123
  468   2HG2  VAL  67          HG22      VAL  67   7.766  -0.449  -5.183
  469   3HG2  VAL  67          HG23      VAL  67   6.107  -1.138  -5.131
  470    H    THR  68           HN       THR  68   7.784  -4.083  -2.256
  471    HA   THR  68           HA       THR  68   9.131  -6.631  -3.135
  472    HB   THR  68           HB       THR  68  10.148  -5.672  -1.123
  473    HG1  THR  68           HG1      THR  68   9.704  -7.626   0.187
  474   1HG2  THR  68          HG21      THR  68   7.510  -6.445   0.222
  475   2HG2  THR  68          HG22      THR  68   7.732  -4.795  -0.552
  476   3HG2  THR  68          HG23      THR  68   8.807  -5.342   0.841
  477    H    ALA  69           HN       ALA  69   8.170  -8.602  -2.704
  478    HA   ALA  69           HA       ALA  69   5.241  -8.527  -3.047
  479   1HB   ALA  69          HB1       ALA  69   5.572 -10.761  -4.127
  480   2HB   ALA  69          HB2       ALA  69   7.346 -10.633  -3.804
  481   3HB   ALA  69          HB3       ALA  69   6.551  -9.483  -4.926
  482    H    LEU  70           HN       LEU  70   3.957  -9.670  -1.637
  483    HA   LEU  70           HA       LEU  70   5.361 -10.455   0.819
  484   1HB   LEU  70          HB1       LEU  70   3.471  -8.640   0.677
  485   2HB   LEU  70          HB2       LEU  70   2.460 -10.038   1.143
  486    HG   LEU  70           HG       LEU  70   3.450  -8.497   2.955
  487   1HD1  LEU  70          HD11      LEU  70   2.471 -10.687   3.558
  488   2HD1  LEU  70          HD12      LEU  70   3.858 -10.189   4.627
  489   3HD1  LEU  70          HD13      LEU  70   4.105 -11.451   3.361
  490   1HD2  LEU  70          HD21      LEU  70   5.667  -8.668   3.795
  491   2HD2  LEU  70          HD22      LEU  70   5.899  -8.553   2.003
  492   3HD2  LEU  70          HD23      LEU  70   6.042 -10.132   2.828
  493    H    SER  71           HN       SER  71   5.883 -12.103   1.237
  494    HA   SER  71           HA       SER  71   4.482 -14.570   1.241
  495   1HB   SER  71          HB1       SER  71   5.996 -14.518  -0.900
  496   2HB   SER  71          HB2       SER  71   7.403 -14.280   0.181
  497    HG   SER  71           HG       SER  71   7.301 -16.441   0.060
  498    H    GLU  72           HN       GLU  72   6.010 -15.676   3.163
  499    HA   GLU  72           HA       GLU  72   5.938 -14.190   5.345
  500   1HB   GLU  72          HB2       GLU  72   8.263 -15.829   5.766
  501   2HB   GLU  72          HB1       GLU  72   6.559 -16.159   6.225
  502   1HG   GLU  72          HG2       GLU  72   7.872 -16.667   3.470
  503   2HG   GLU  72          HG1       GLU  72   8.001 -17.756   4.914
  504    H    ASP  73           HN       ASP  73   7.265 -13.477   6.904
  505    HA   ASP  73           HA       ASP  73   8.206 -11.042   6.456
  506   1HB   ASP  73          HB2       ASP  73   8.919 -12.736   8.907
  507   2HB   ASP  73          HB1       ASP  73   8.970 -10.932   8.867
  508    H    GLU  74           HN       GLU  74  10.617 -13.575   7.088
  509    HA   GLU  74           HA       GLU  74  12.737 -11.804   6.043
  510   1HB   GLU  74          HB2       GLU  74  14.364 -13.091   7.340
  511   2HB   GLU  74          HB1       GLU  74  13.117 -12.336   8.385
  512   1HG   GLU  74          HG2       GLU  74  11.912 -14.535   8.586
  513   2HG   GLU  74          HG1       GLU  74  13.169 -15.311   7.550
  514    H    TYR  75           HN       TYR  75  10.657 -13.963   4.870
  515    HA   TYR  75           HA       TYR  75  12.643 -15.639   3.435
  516   1HB   TYR  75          HB2       TYR  75   9.712 -16.086   4.097
  517   2HB   TYR  75          HB1       TYR  75  10.710 -17.232   3.119
  518    HD1  TYR  75           HD1      TYR  75  10.172 -15.805   6.542
  519    HD2  TYR  75           HD2      TYR  75  12.382 -18.569   4.145
  520    HE1  TYR  75           HE1      TYR  75  10.881 -17.029   8.563
  521    HE2  TYR  75           HE2      TYR  75  13.126 -19.735   6.153
  522    HH   TYR  75           HH       TYR  75  13.074 -19.830   8.392
  523    H    PHE  76           HN       PHE  76   9.966 -13.412   3.016
  524    HA   PHE  76           HA       PHE  76   9.435 -13.548   0.331
  525   1HB   PHE  76          HB2       PHE  76   8.576 -11.267   0.432
  526   2HB   PHE  76          HB1       PHE  76   8.312 -12.063   2.006
  527    HD1  PHE  76           HD1      PHE  76  11.433 -11.396   2.921
  528    HD2  PHE  76           HD2      PHE  76   8.030  -9.257   1.472
  529    HE1  PHE  76           HE1      PHE  76  12.245  -9.379   3.978
  530    HE2  PHE  76           HE2      PHE  76   8.868  -7.212   2.589
  531    HZ   PHE  76           HZ       PHE  76  11.016  -7.270   3.759
  532    H    SER  77           HN       SER  77   9.787 -11.896  -1.516
  533    HA   SER  77           HA       SER  77  12.624 -11.146  -1.817
  534   1HB   SER  77          HB1       SER  77  11.100 -13.096  -3.663
  535   2HB   SER  77          HB2       SER  77  12.662 -12.306  -4.100
  536    HG   SER  77           HG       SER  77  12.428 -13.755  -1.686
  537    H    ALA  78           HN       ALA  78  13.016  -9.581  -3.424
  538    HA   ALA  78           HA       ALA  78  10.831  -7.834  -3.833
  539   1HB   ALA  78          HB1       ALA  78  12.977  -7.015  -3.007
  540   2HB   ALA  78          HB2       ALA  78  12.425  -6.125  -4.450
  541   3HB   ALA  78          HB3       ALA  78  13.738  -7.376  -4.596
  542    H    GLY  79           HN       GLY  79  10.488  -6.526  -5.650
  543   1HA   GLY  79          HA2       GLY  79  10.875  -7.444  -8.341
  544   2HA   GLY  79          HA1       GLY  79   9.112  -7.457  -7.641
  545    H    VAL  80           HN       VAL  80   8.841  -6.105  -9.506
  546    HA   VAL  80           HA       VAL  80   9.156  -3.279  -8.586
  547    HB   VAL  80           HB       VAL  80   9.693  -4.757 -11.210
  548   1HG1  VAL  80          HG11      VAL  80   8.940  -1.725 -11.001
  549   2HG1  VAL  80          HG12      VAL  80   8.194  -2.962 -12.076
  550   3HG1  VAL  80          HG13      VAL  80   9.879  -2.420 -12.361
  551   1HG2  VAL  80          HG21      VAL  80  11.436  -4.237  -9.499
  552   2HG2  VAL  80          HG22      VAL  80  11.014  -2.463  -9.662
  553   3HG2  VAL  80          HG23      VAL  80  11.753  -3.337 -11.060
  554    H    VAL  81           HN       VAL  81   7.360  -2.028  -8.651
  555    HA   VAL  81           HA       VAL  81   4.901  -3.298  -9.626
  556    HB   VAL  81           HB       VAL  81   3.690  -1.207  -9.083
  557   1HG1  VAL  81          HG11      VAL  81   4.373  -1.083  -6.631
  558   2HG1  VAL  81          HG12      VAL  81   5.649  -2.272  -7.040
  559   3HG1  VAL  81          HG13      VAL  81   3.910  -2.764  -7.238
  560   1HG2  VAL  81          HG21      VAL  81   6.218  -0.058  -7.721
  561   2HG2  VAL  81          HG22      VAL  81   4.643   0.733  -8.078
  562   3HG2  VAL  81          HG23      VAL  81   5.815   0.409  -9.400
  563    H    LYS  82           HN       LYS  82   4.135  -2.989 -11.703
  564    HA   LYS  82           HA       LYS  82   5.501  -0.846 -13.283
  565   1HB   LYS  82          HB1       LYS  82   5.628  -2.128 -15.281
  566   2HB   LYS  82          HB2       LYS  82   6.552  -2.928 -13.964
  567   1HG   LYS  82          HG2       LYS  82   4.759  -4.612 -13.618
  568   2HG   LYS  82          HG1       LYS  82   3.728  -3.829 -14.862
  569   1HD   LYS  82          HD2       LYS  82   5.410  -4.283 -16.627
  570   2HD   LYS  82          HD1       LYS  82   6.508  -4.998 -15.399
  571   1HE   LYS  82          HE2       LYS  82   5.384  -6.818 -16.628
  572   2HE   LYS  82          HE1       LYS  82   4.768  -6.800 -14.926
  573   1HZ   LYS  82          HZ1       LYS  82   3.019  -7.078 -16.532
  574   2HZ   LYS  82          HZ2       LYS  82   3.419  -5.614 -17.298
  575   3HZ   LYS  82          HZ3       LYS  82   2.834  -5.607 -15.703
  576    H    GLY  83           HN       GLY  83   2.502  -1.649 -12.165
  577   1HA   GLY  83          HA2       GLY  83   1.090   0.210 -13.559
  578   2HA   GLY  83          HA1       GLY  83   0.925  -1.319 -14.524
  579    H    HIS  84           HN       HIS  84  -1.277   0.119 -13.002
  580    HA   HIS  84           HA       HIS  84  -2.181  -2.201 -11.621
  581   1HB   HIS  84          HB2       HIS  84  -2.645  -0.875  -9.418
  582   2HB   HIS  84          HB1       HIS  84  -0.960  -1.279  -9.822
  583    HD1  HIS  84           HD1      HIS  84  -3.006   2.066 -10.292
  584    HD2  HIS  84           HD2      HIS  84   0.822   0.493  -9.512
  585    HE1  HIS  84           HE1      HIS  84  -1.282   4.019  -9.772
  586    H    ARG  85           HN       ARG  85  -4.448  -2.078 -10.577
  587    HA   ARG  85           HA       ARG  85  -6.086  -0.041 -11.836
  588   1HB   ARG  85          HB2       ARG  85  -7.289  -1.745 -13.198
  589   2HB   ARG  85          HB1       ARG  85  -5.558  -1.856 -13.618
  590   1HG   ARG  85          HG1       ARG  85  -5.579  -4.084 -13.108
  591   2HG   ARG  85          HG2       ARG  85  -5.818  -3.639 -11.384
  592   1HD   ARG  85          HD2       ARG  85  -7.636  -5.122 -11.890
  593   2HD   ARG  85          HD1       ARG  85  -8.415  -3.509 -11.967
  594    HE   ARG  85           HE       ARG  85  -7.638  -5.317 -14.274
  595   1HH1  ARG  85          HH11      ARG  85  -9.359  -2.346 -13.247
  596   2HH1  ARG  85          HH12      ARG  85 -10.256  -2.219 -14.724
  597   1HH2  ARG  85          HH21      ARG  85  -8.852  -5.117 -16.217
  598   2HH2  ARG  85          HH22      ARG  85  -9.966  -3.806 -16.425
  599    H    LYS  86           HN       LYS  86  -8.423  -0.302 -11.059
  600    HA   LYS  86           HA       LYS  86  -8.893  -2.678  -9.544
  601   1HB   LYS  86          HB2       LYS  86  -9.819  -1.844  -7.576
  602   2HB   LYS  86          HB1       LYS  86  -8.100  -1.355  -7.771
  603   1HG   LYS  86          HG2       LYS  86  -8.756   0.965  -8.311
  604   2HG   LYS  86          HG1       LYS  86 -10.477   0.515  -8.403
  605   1HD   LYS  86          HD2       LYS  86 -10.247   1.618  -6.328
  606   2HD   LYS  86          HD1       LYS  86 -10.461  -0.134  -5.961
  607   1HE   LYS  86          HE2       LYS  86  -7.963  -0.355  -5.717
  608   2HE   LYS  86          HE1       LYS  86  -7.811   1.388  -6.190
  609   1HZ   LYS  86          HZ1       LYS  86  -7.667   1.065  -3.798
  610   2HZ   LYS  86          HZ2       LYS  86  -9.203   0.340  -3.767
  611   3HZ   LYS  86          HZ3       LYS  86  -9.042   1.974  -4.203
  612    H    GLU  87           HN       GLU  87 -10.905  -3.417  -9.596
  613    HA   GLU  87           HA       GLU  87 -12.750  -2.002 -11.459
  614   1HB   GLU  87          HB2       GLU  87 -11.330  -3.834 -12.563
  615   2HB   GLU  87          HB1       GLU  87 -12.192  -5.031 -11.568
  616   1HG   GLU  87          HG2       GLU  87 -14.377  -4.336 -12.620
  617   2HG   GLU  87          HG1       GLU  87 -13.508  -3.056 -13.550
  618    H    SER  88           HN       SER  88 -15.100  -2.845 -11.087
  619    HA   SER  88           HA       SER  88 -15.792  -2.655  -8.409
  620   1HB   SER  88          HB2       SER  88 -18.125  -3.136  -9.261
  621   2HB   SER  88          HB1       SER  88 -17.236  -1.901 -10.209
  622    HG   SER  88           HG       SER  88 -17.348  -4.657 -10.856
  623    H    GLY  89           HN       GLY  89 -14.501  -4.310  -7.358
  624   1HA   GLY  89          HA2       GLY  89 -15.054  -6.106  -5.867
  625   2HA   GLY  89          HA1       GLY  89 -15.740  -7.017  -7.257
  626    H    GLU  90           HN       GLU  90 -12.824  -5.367  -8.305
  627    HA   GLU  90           HA       GLU  90 -11.148  -7.667  -7.669
  628   1HB   GLU  90          HB2       GLU  90 -11.252  -6.126 -10.343
  629   2HB   GLU  90          HB1       GLU  90 -10.318  -7.570  -9.930
  630   1HG   GLU  90          HG2       GLU  90 -13.373  -7.393 -10.251
  631   2HG   GLU  90          HG1       GLU  90 -12.211  -7.962 -11.496
  632    H    LEU  91           HN       LEU  91  -8.962  -6.987  -7.192
  633    HA   LEU  91           HA       LEU  91  -8.369  -4.123  -7.602
  634   1HB   LEU  91          HB2       LEU  91  -8.992  -5.110  -5.125
  635   2HB   LEU  91          HB1       LEU  91  -7.372  -5.864  -5.176
  636    HG   LEU  91           HG       LEU  91  -8.168  -2.869  -5.215
  637   1HD1  LEU  91          HD11      LEU  91  -6.893  -2.877  -3.052
  638   2HD1  LEU  91          HD12      LEU  91  -6.562  -4.635  -3.259
  639   3HD1  LEU  91          HD13      LEU  91  -8.255  -4.064  -3.040
  640   1HD2  LEU  91          HD21      LEU  91  -6.226  -2.928  -6.711
  641   2HD2  LEU  91          HD22      LEU  91  -5.305  -3.965  -5.546
  642   3HD2  LEU  91          HD23      LEU  91  -5.758  -2.280  -5.102
  643    H    TYR  92           HN       TYR  92  -6.244  -4.240  -9.044
  644    HA   TYR  92           HA       TYR  92  -4.479  -6.159  -7.856
  645   1HB   TYR  92          HB2       TYR  92  -3.887  -7.413 -10.094
  646   2HB   TYR  92          HB1       TYR  92  -5.190  -7.954  -9.036
  647    HD1  TYR  92           HD1      TYR  92  -4.485  -6.757 -12.424
  648    HD2  TYR  92           HD2      TYR  92  -7.543  -7.783  -9.639
  649    HE1  TYR  92           HE1      TYR  92  -5.989  -7.209 -14.256
  650    HE2  TYR  92           HE2      TYR  92  -9.098  -8.137 -11.515
  651    HH   TYR  92           HH       TYR  92  -8.056  -7.884 -14.875
  652    H    TYR  93           HN       TYR  93  -2.532  -5.831  -7.802
  653    HA   TYR  93           HA       TYR  93  -1.419  -3.544  -9.259
  654   1HB   TYR  93          HB1       TYR  93  -1.512  -4.162  -6.494
  655   2HB   TYR  93          HB2       TYR  93   0.162  -4.634  -6.958
  656    HD1  TYR  93           HD1      TYR  93   1.757  -2.843  -6.849
  657    HD2  TYR  93           HD2      TYR  93  -2.404  -1.971  -7.490
  658    HE1  TYR  93           HE1      TYR  93   2.271  -0.506  -6.901
  659    HE2  TYR  93           HE2      TYR  93  -1.859   0.448  -7.255
  660    HH   TYR  93           HH       TYR  93   0.273   1.899  -7.874
  661    H    SER  94           HN       SER  94   0.488  -3.945 -10.532
  662    HA   SER  94           HA       SER  94   1.041  -6.773 -11.108
  663   1HB   SER  94          HB2       SER  94   0.320  -5.046 -12.918
  664   2HB   SER  94          HB1       SER  94   1.834  -4.179 -12.660
  665    HG   SER  94           HG       SER  94   1.380  -6.824 -13.691
  666    H    ILE  95           HN       ILE  95   2.932  -7.690 -10.428
  667    HA   ILE  95           HA       ILE  95   5.106  -5.988  -9.518
  668    HB   ILE  95           HB       ILE  95   4.505  -8.784  -8.455
  669   1HG1  ILE  95          HG12      ILE  95   3.769  -7.563  -6.357
  670   2HG1  ILE  95          HG11      ILE  95   3.530  -6.099  -7.379
  671   1HG2  ILE  95          HG21      ILE  95   6.042  -6.306  -7.384
  672   2HG2  ILE  95          HG22      ILE  95   6.851  -7.709  -8.173
  673   3HG2  ILE  95          HG23      ILE  95   5.967  -7.913  -6.603
  674   1HD1  ILE  95          HD11      ILE  95   1.735  -7.138  -8.588
  675   2HD1  ILE  95          HD12      ILE  95   1.418  -7.571  -6.900
  676   3HD1  ILE  95          HD13      ILE  95   2.154  -8.798  -8.020
  677    H    GLU  96           HN       GLU  96   6.675  -6.179 -11.065
  678    HA   GLU  96           HA       GLU  96   6.864  -8.664 -12.658
  679   1HB   GLU  96          HB2       GLU  96   7.008  -6.621 -13.928
  680   2HB   GLU  96          HB1       GLU  96   8.420  -6.045 -12.944
  681   1HG   GLU  96          HG2       GLU  96   9.799  -7.967 -13.820
  682   2HG   GLU  96          HG1       GLU  96   8.380  -8.571 -14.752
  683    H    LYS  97           HN       LYS  97   8.012 -10.411 -11.913
  684    HA   LYS  97           HA       LYS  97   9.939  -9.822  -9.715
  685   1HB   LYS  97          HB1       LYS  97   7.398  -9.943  -9.074
  686   2HB   LYS  97          HB2       LYS  97   7.439 -11.593  -9.777
  687   1HG   LYS  97          HG2       LYS  97   8.942 -12.331  -7.875
  688   2HG   LYS  97          HG1       LYS  97   9.054 -10.648  -7.281
  689   1HD   LYS  97          HD2       LYS  97   6.863 -10.665  -6.512
  690   2HD   LYS  97          HD1       LYS  97   6.297 -11.866  -7.690
  691   1HE   LYS  97          HE2       LYS  97   6.361 -12.852  -5.373
  692   2HE   LYS  97          HE1       LYS  97   7.455 -13.722  -6.520
  693   1HZ   LYS  97          HZ1       LYS  97   8.286 -11.667  -4.545
  694   2HZ   LYS  97          HZ2       LYS  97   9.303 -12.492  -5.627
  695   3HZ   LYS  97          HZ3       LYS  97   8.488 -13.348  -4.407
  696    H    GLU  98           HN       GLU  98  11.626 -11.196  -9.696
  697    HA   GLU  98           HA       GLU  98  12.984 -12.885 -10.064
  698   1HB   GLU  98          HB2       GLU  98  10.352 -14.354  -9.704
  699   2HB   GLU  98          HB1       GLU  98  11.801 -15.307 -10.307
  700   1HG   GLU  98          HG2       GLU  98  11.814 -15.637  -8.027
  701   2HG   GLU  98          HG1       GLU  98  13.161 -14.497  -8.361
  702    H    GLY  99           HN       GLY  99  11.250 -11.745 -12.423
  703   1HA   GLY  99          HA2       GLY  99  12.502 -11.477 -14.538
  704   2HA   GLY  99          HA1       GLY  99  12.630 -13.270 -14.620
  705    H    GLN 100           HN       GLN 100   9.690 -12.927 -13.342
  706    HA   GLN 100           HA       GLN 100   8.250 -12.389 -15.809
  707   1HB   GLN 100          HB2       GLN 100   6.818 -14.466 -15.485
  708   2HB   GLN 100          HB1       GLN 100   8.534 -14.808 -15.834
  709   1HG   GLN 100          HG2       GLN 100   7.886 -16.393 -14.224
  710   2HG   GLN 100          HG1       GLN 100   8.954 -15.253 -13.358
  711   1HE2  GLN 100          HE21      GLN 100   8.001 -13.884 -11.733
  712   2HE2  GLN 100          HE22      GLN 100   6.377 -14.260 -11.097
  713    H    ARG 101           HN       ARG 101   5.744 -12.432 -15.423
  714    HA   ARG 101           HA       ARG 101   5.457 -10.446 -13.307
  715   1HB   ARG 101          HB1       ARG 101   3.395  -9.729 -14.523
  716   2HB   ARG 101          HB2       ARG 101   4.972  -9.420 -15.244
  717   1HG   ARG 101          HG1       ARG 101   3.351 -10.067 -16.955
  718   2HG   ARG 101          HG2       ARG 101   4.807 -11.106 -16.913
  719   1HD   ARG 101          HD2       ARG 101   2.749 -12.405 -17.415
  720   2HD   ARG 101          HD1       ARG 101   3.507 -12.955 -15.865
  721    HE   ARG 101           HE       ARG 101   1.507 -10.879 -15.375
  722   1HH1  ARG 101          HH11      ARG 101   1.801 -14.347 -16.193
  723   2HH1  ARG 101          HH12      ARG 101   0.306 -14.787 -15.436
  724   1HH2  ARG 101          HH21      ARG 101  -0.495 -11.495 -14.361
  725   2HH2  ARG 101          HH22      ARG 101  -1.014 -13.148 -14.383
  726    H    LYS 102           HN       LYS 102   4.122 -10.281 -11.691
  727    HA   LYS 102           HA       LYS 102   2.244 -12.549 -11.257
  728   1HB   LYS 102          HB2       LYS 102   4.358 -11.452  -9.363
  729   2HB   LYS 102          HB1       LYS 102   2.845 -12.128  -8.674
  730   1HG   LYS 102          HG2       LYS 102   3.188 -14.293  -9.527
  731   2HG   LYS 102          HG1       LYS 102   4.344 -13.771 -10.789
  732   1HD   LYS 102          HD2       LYS 102   6.162 -13.498  -9.179
  733   2HD   LYS 102          HD1       LYS 102   5.018 -13.724  -7.796
  734   1HE   LYS 102          HE2       LYS 102   4.607 -16.077  -8.445
  735   2HE   LYS 102          HE1       LYS 102   5.643 -15.884  -9.915
  736   1HZ   LYS 102          HZ1       LYS 102   7.506 -15.417  -8.478
  737   2HZ   LYS 102          HZ2       LYS 102   6.816 -16.926  -8.120
  738   3HZ   LYS 102          HZ3       LYS 102   6.537 -15.600  -7.096
  739    H    TRP 103           HN       TRP 103   0.156 -11.794 -10.856
  740    HA   TRP 103           HA       TRP 103  -0.149  -8.871 -10.334
  741   1HB   TRP 103          HB2       TRP 103  -1.451 -10.684 -12.401
  742   2HB   TRP 103          HB1       TRP 103  -2.356  -9.282 -11.757
  743    HD1  TRP 103           HD1      TRP 103   0.777  -9.866 -14.070
  744    HE1  TRP 103           HE1      TRP 103   0.653  -7.878 -15.747
  745    HE3  TRP 103           HE3      TRP 103  -2.361  -6.896 -11.486
  746    HZ2  TRP 103           HZ2      TRP 103  -0.758  -5.434 -15.930
  747    HZ3  TRP 103           HZ3      TRP 103  -2.996  -4.707 -12.387
  748    HH2  TRP 103           HH2      TRP 103  -2.231  -3.995 -14.613
  749    H    TYR 104           HN       TYR 104  -0.779  -8.651  -8.386
  750    HA   TYR 104           HA       TYR 104  -2.799 -10.455  -7.099
  751   1HB   TYR 104          HB2       TYR 104  -0.742  -9.273  -5.285
  752   2HB   TYR 104          HB1       TYR 104  -1.787 -10.705  -5.152
  753    HD1  TYR 104           HD1      TYR 104  -1.239 -12.740  -6.664
  754    HD2  TYR 104           HD2      TYR 104   1.462  -9.563  -5.789
  755    HE1  TYR 104           HE1      TYR 104   0.647 -14.327  -6.651
  756    HE2  TYR 104           HE2      TYR 104   3.327 -11.125  -5.789
  757    HH   TYR 104           HH       TYR 104   3.894 -13.278  -5.659
  758    H    LYS 105           HN       LYS 105  -4.407  -9.415  -5.601
  759    HA   LYS 105           HA       LYS 105  -4.828  -6.710  -5.601
  760   1HB   LYS 105          HB2       LYS 105  -5.433  -8.718  -3.292
  761   2HB   LYS 105          HB1       LYS 105  -6.362  -7.264  -3.789
  762   1HG   LYS 105          HG2       LYS 105  -6.598  -8.797  -6.066
  763   2HG   LYS 105          HG1       LYS 105  -6.359 -10.103  -4.866
  764   1HD   LYS 105          HD1       LYS 105  -8.297  -9.325  -3.569
  765   2HD   LYS 105          HD2       LYS 105  -8.412  -7.821  -4.534
  766   1HE   LYS 105          HE2       LYS 105  -8.959  -9.162  -6.598
  767   2HE   LYS 105          HE1       LYS 105  -8.921 -10.677  -5.606
  768   1HZ   LYS 105          HZ1       LYS 105 -11.137  -9.832  -5.896
  769   2HZ   LYS 105          HZ2       LYS 105 -10.719  -8.344  -5.192
  770   3HZ   LYS 105          HZ3       LYS 105 -10.690  -9.763  -4.259
  771    H    ARG 106           HN       ARG 106  -4.532  -5.337  -3.693
  772    HA   ARG 106           HA       ARG 106  -2.163  -4.610  -2.901
  773   1HB   ARG 106          HB1       ARG 106  -4.499  -3.667  -2.296
  774   2HB   ARG 106          HB2       ARG 106  -4.424  -4.642  -0.800
  775   1HG   ARG 106          HG2       ARG 106  -3.829  -2.267  -0.359
  776   2HG   ARG 106          HG1       ARG 106  -2.385  -3.300  -0.104
  777   1HD   ARG 106          HD1       ARG 106  -1.648  -1.314  -1.139
  778   2HD   ARG 106          HD2       ARG 106  -1.475  -2.612  -2.361
  779    HE   ARG 106           HE       ARG 106  -3.445  -0.316  -2.299
  780   1HH1  ARG 106          HH11      ARG 106  -2.325  -3.232  -4.035
  781   2HH1  ARG 106          HH12      ARG 106  -2.919  -2.699  -5.572
  782   1HH2  ARG 106          HH21      ARG 106  -4.221   0.378  -4.375
  783   2HH2  ARG 106          HH22      ARG 106  -4.012  -0.632  -5.766
  784    H    MET 107           HN       MET 107  -3.522  -7.394  -1.276
  785    HA   MET 107           HA       MET 107  -1.930  -7.732   0.940
  786   1HB   MET 107          HB1       MET 107  -2.854 -10.067   0.987
  787   2HB   MET 107          HB2       MET 107  -4.026  -8.713   0.980
  788   1HG   MET 107          HG2       MET 107  -4.836 -10.538  -0.425
  789   2HG   MET 107          HG1       MET 107  -4.534  -9.084  -1.401
  790   1HE   MET 107          HE1       MET 107  -2.275 -13.194  -1.592
  791   2HE   MET 107          HE2       MET 107  -3.705 -12.822  -0.574
  792   3HE   MET 107          HE3       MET 107  -2.099 -12.108  -0.173
  793    H    ALA 108           HN       ALA 108  -1.089  -8.700  -2.437
  794    HA   ALA 108           HA       ALA 108   1.388  -9.788  -1.085
  795   1HB   ALA 108          HB1       ALA 108   0.168 -10.771  -3.711
  796   2HB   ALA 108          HB2       ALA 108   0.241 -11.687  -2.185
  797   3HB   ALA 108          HB3       ALA 108   1.745 -11.316  -3.110
  798    H    VAL 109           HN       VAL 109   0.796  -7.048  -2.004
  799    HA   VAL 109           HA       VAL 109   3.398  -6.633  -3.175
  800    HB   VAL 109           HB       VAL 109   1.966  -6.680  -5.034
  801   1HG1  VAL 109          HG21      VAL 109   0.480  -4.142  -4.533
  802   2HG1  VAL 109          HG22      VAL 109   0.021  -5.422  -3.370
  803   3HG1  VAL 109          HG23      VAL 109  -0.111  -5.755  -5.120
  804   1HG2  VAL 109          HG11      VAL 109   3.003  -3.840  -4.506
  805   2HG2  VAL 109          HG12      VAL 109   2.671  -4.651  -6.095
  806   3HG2  VAL 109          HG13      VAL 109   3.972  -5.286  -5.027
  807    H    ILE 110           HN       ILE 110   4.435  -5.833  -1.592
  808    HA   ILE 110           HA       ILE 110   3.216  -3.603   0.040
  809    HB   ILE 110           HB       ILE 110   3.961  -4.252   1.965
  810   1HG1  ILE 110          HG11      ILE 110   4.483  -6.897   2.048
  811   2HG1  ILE 110          HG12      ILE 110   5.398  -6.515   0.571
  812   1HG2  ILE 110          HG21      ILE 110   1.691  -4.941   1.200
  813   2HG2  ILE 110          HG22      ILE 110   2.367  -6.078   2.418
  814   3HG2  ILE 110          HG23      ILE 110   2.355  -6.539   0.684
  815   1HD1  ILE 110          HD11      ILE 110   6.795  -4.880   1.922
  816   2HD1  ILE 110          HD12      ILE 110   6.731  -6.463   2.779
  817   3HD1  ILE 110          HD13      ILE 110   5.699  -5.100   3.333
  818    H    LEU 111           HN       LEU 111   5.255  -2.889   1.711
  819    HA   LEU 111           HA       LEU 111   7.641  -2.306   0.147
  820   1HB   LEU 111          HB2       LEU 111   7.224   0.273   0.861
  821   2HB   LEU 111          HB1       LEU 111   6.552  -0.404  -0.614
  822    HG   LEU 111           HG       LEU 111   4.393  -0.499   0.064
  823   1HD1  LEU 111          HD11      LEU 111   5.246  -0.340   3.019
  824   2HD1  LEU 111          HD12      LEU 111   4.153  -1.495   2.184
  825   3HD1  LEU 111          HD13      LEU 111   3.635   0.155   2.455
  826   1HD2  LEU 111          HD21      LEU 111   4.076   1.690   0.072
  827   2HD2  LEU 111          HD22      LEU 111   5.924   1.710   0.089
  828   3HD2  LEU 111          HD23      LEU 111   5.043   2.108   1.546
  829    H    SER 112           HN       SER 112   9.403  -1.285   1.211
  830    HA   SER 112           HA       SER 112   9.469  -1.558   4.132
  831   1HB   SER 112          HB2       SER 112  11.857  -1.812   4.031
  832   2HB   SER 112          HB1       SER 112  11.099  -3.001   2.933
  833    HG   SER 112           HG       SER 112  11.892  -1.861   1.175
  834    H    LEU 113           HN       LEU 113  10.956   0.330   5.266
  835    HA   LEU 113           HA       LEU 113   9.611   2.650   4.449
  836   1HB   LEU 113          HB1       LEU 113  11.856   3.442   6.158
  837   2HB   LEU 113          HB2       LEU 113  10.199   4.112   5.920
  838    HG   LEU 113           HG       LEU 113  10.052   1.426   7.100
  839   1HD1  LEU 113          HD21      LEU 113  12.415   1.887   7.815
  840   2HD1  LEU 113          HD22      LEU 113  11.294   1.958   9.254
  841   3HD1  LEU 113          HD23      LEU 113  11.926   3.481   8.459
  842   1HD2  LEU 113          HD11      LEU 113   8.833   2.561   8.897
  843   2HD2  LEU 113          HD12      LEU 113   8.345   3.330   7.336
  844   3HD2  LEU 113          HD13      LEU 113   9.508   4.159   8.425
  845    H    GLU 114           HN       GLU 114  12.826   1.822   3.208
  846    HA   GLU 114           HA       GLU 114  12.836   4.655   2.239
  847   1HB   GLU 114          HB2       GLU 114  15.100   3.150   2.860
  848   2HB   GLU 114          HB1       GLU 114  15.195   3.797   1.182
  849   1HG   GLU 114          HG1       GLU 114  14.332   6.066   2.050
  850   2HG   GLU 114          HG2       GLU 114  14.376   5.350   3.733
  851    H    GLN 115           HN       GLN 115  11.590   1.913   1.081
  852    HA   GLN 115           HA       GLN 115  11.284   2.879  -1.649
  853   1HB   GLN 115          HB2       GLN 115  10.059   0.473  -0.202
  854   2HB   GLN 115          HB1       GLN 115  10.116   0.819  -2.020
  855   1HG   GLN 115          HG1       GLN 115  12.700   0.799  -1.797
  856   2HG   GLN 115          HG2       GLN 115  12.511   0.253  -0.087
  857   1HE2  GLN 115          HE21      GLN 115  11.330  -0.562  -3.496
  858   2HE2  GLN 115          HE22      GLN 115  11.713  -2.257  -3.201
  859    H    GLY 116           HN       GLY 116   9.646   2.919   1.417
  860   1HA   GLY 116          HA2       GLY 116   7.094   4.046   0.633
  861   2HA   GLY 116          HA1       GLY 116   7.748   3.577   2.210
  862    H    ASN 117           HN       ASN 117   9.997   5.159   2.594
  863    HA   ASN 117           HA       ASN 117   8.882   7.724   3.091
  864   1HB   ASN 117          HB2       ASN 117  11.637   6.606   3.731
  865   2HB   ASN 117          HB1       ASN 117  11.162   8.317   4.067
  866   1HD2  ASN 117          HD21      ASN 117  11.777   7.272   6.277
  867   2HD2  ASN 117          HD22      ASN 117  10.318   6.931   7.208
  868    H    ARG 118           HN       ARG 118  10.574   6.437   0.434
  869    HA   ARG 118           HA       ARG 118  11.734   8.806  -0.555
  870   1HB   ARG 118          HB2       ARG 118  12.096   7.572  -2.632
  871   2HB   ARG 118          HB1       ARG 118  12.530   6.598  -1.212
  872   1HG   ARG 118          HG2       ARG 118  11.235   4.950  -2.034
  873   2HG   ARG 118          HG1       ARG 118   9.772   5.940  -1.621
  874   1HD   ARG 118          HD2       ARG 118   9.653   5.138  -3.944
  875   2HD   ARG 118          HD1       ARG 118   9.916   6.939  -3.977
  876    HE   ARG 118           HE       ARG 118  12.370   5.222  -4.092
  877   1HH1  ARG 118          HH11      ARG 118   9.935   7.014  -6.009
  878   2HH1  ARG 118          HH12      ARG 118  10.915   7.067  -7.436
  879   1HH2  ARG 118          HH21      ARG 118  13.652   5.301  -6.020
  880   2HH2  ARG 118          HH22      ARG 118  13.048   6.083  -7.443
  881    H    LEU 119           HN       LEU 119   8.593   7.315  -0.504
  882    HA   LEU 119           HA       LEU 119   7.181   8.817  -2.629
  883   1HB   LEU 119          HB1       LEU 119   6.428   6.389  -2.416
  884   2HB   LEU 119          HB2       LEU 119   6.223   6.593  -0.691
  885    HG   LEU 119           HG       LEU 119   4.664   8.493  -2.367
  886   1HD1  LEU 119          HD21      LEU 119   4.469   5.542  -2.944
  887   2HD1  LEU 119          HD22      LEU 119   4.570   6.887  -4.137
  888   3HD1  LEU 119          HD23      LEU 119   3.075   6.648  -3.138
  889   1HD2  LEU 119          HD11      LEU 119   2.745   7.239  -1.141
  890   2HD2  LEU 119          HD12      LEU 119   4.067   7.482   0.072
  891   3HD2  LEU 119          HD13      LEU 119   3.884   5.886  -0.799
  892    H    ARG 120           HN       ARG 120   7.232   8.333   0.873
  893    HA   ARG 120           HA       ARG 120   5.260   9.536   1.612
  894   1HB   ARG 120          HB2       ARG 120   7.060   8.470   3.189
  895   2HB   ARG 120          HB1       ARG 120   8.150   9.786   2.680
  896   1HG   ARG 120          HG1       ARG 120   5.948  10.914   4.266
  897   2HG   ARG 120          HG2       ARG 120   6.819   9.608   5.119
  898   1HD   ARG 120          HD2       ARG 120   8.979  10.732   4.822
  899   2HD   ARG 120          HD1       ARG 120   8.266  11.980   3.734
  900    HE   ARG 120           HE       ARG 120   8.028  11.787   6.707
  901   1HH1  ARG 120          HH11      ARG 120   6.732  13.335   3.746
  902   2HH1  ARG 120          HH12      ARG 120   6.006  14.654   4.605
  903   1HH2  ARG 120          HH21      ARG 120   7.042  13.559   7.821
  904   2HH2  ARG 120          HH22      ARG 120   6.183  14.781   6.943
  905    H    GLU 121           HN       GLU 121   7.829  11.741   0.692
  906    HA   GLU 121           HA       GLU 121   6.396  14.144   1.469
  907   1HB   GLU 121          HB1       GLU 121   8.479  15.266   0.647
  908   2HB   GLU 121          HB2       GLU 121   8.760  14.041   1.922
  909   1HG   GLU 121          HG1       GLU 121   9.503  12.352   0.235
  910   2HG   GLU 121          HG2       GLU 121   9.252  13.549  -1.092
  911    H    GLN 122           HN       GLN 122   6.566  12.095  -1.380
  912    HA   GLN 122           HA       GLN 122   5.642  14.250  -3.148
  913   1HB   GLN 122          HB2       GLN 122   6.260  12.797  -5.054
  914   2HB   GLN 122          HB1       GLN 122   7.630  13.361  -4.052
  915   1HG   GLN 122          HG1       GLN 122   7.946  11.191  -3.046
  916   2HG   GLN 122          HG2       GLN 122   6.463  10.468  -3.784
  917   1HE2  GLN 122          HE21      GLN 122   9.297   9.598  -4.051
  918   2HE2  GLN 122          HE22      GLN 122   9.498   9.480  -5.805
  919    H    TYR 123           HN       TYR 123   4.729  10.810  -2.080
  920    HA   TYR 123           HA       TYR 123   2.109  11.483  -3.351
  921   1HB   TYR 123          HB2       TYR 123   2.897   8.582  -4.104
  922   2HB   TYR 123          HB1       TYR 123   1.777   9.763  -4.650
  923    HD1  TYR 123           HD1      TYR 123   5.104   8.548  -5.158
  924    HD2  TYR 123           HD2      TYR 123   2.455  11.807  -5.909
  925    HE1  TYR 123           HE1      TYR 123   6.484   9.231  -7.037
  926    HE2  TYR 123           HE2      TYR 123   3.930  12.575  -7.715
  927    HH   TYR 123           HH       TYR 123   7.080  11.489  -7.820
  928    H    GLY 124           HN       GLY 124   2.860  11.021  -0.039
  929   1HA   GLY 124          HA2       GLY 124   0.325  10.457   0.300
  930   2HA   GLY 124          HA1       GLY 124   0.993   8.787   0.042
  931    H    LEU 125           HN       LEU 125   3.405   8.958   1.270
  932    HA   LEU 125           HA       LEU 125   2.366   8.276   3.795
  933   1HB   LEU 125          HB1       LEU 125   4.501   7.567   2.063
  934   2HB   LEU 125          HB2       LEU 125   5.182   7.508   3.677
  935    HG   LEU 125           HG       LEU 125   2.535   6.425   3.304
  936   1HD1  LEU 125          HD21      LEU 125   3.208   5.766   1.496
  937   2HD1  LEU 125          HD22      LEU 125   3.437   4.291   2.485
  938   3HD1  LEU 125          HD23      LEU 125   4.878   5.258   1.904
  939   1HD2  LEU 125          HD11      LEU 125   2.996   4.957   5.147
  940   2HD2  LEU 125          HD12      LEU 125   2.817   6.694   5.474
  941   3HD2  LEU 125          HD13      LEU 125   4.487   5.933   5.489
  942    H    GLY 126           HN       GLY 126   2.600  11.117   3.251
  943   1HA   GLY 126          HA2       GLY 126   2.766  11.737   6.131
  944   2HA   GLY 126          HA1       GLY 126   3.936  12.593   5.068
  945    HA   PRO 127           HA       PRO 127  -0.107  14.821   4.120
  946   1HB   PRO 127          HB2       PRO 127  -2.454  14.305   5.428
  947   2HB   PRO 127          HB1       PRO 127  -1.828  13.135   4.200
  948   1HG   PRO 127          HG2       PRO 127  -1.500  13.005   7.253
  949   2HG   PRO 127          HG1       PRO 127  -2.133  11.718   6.184
  950   1HD   PRO 127          HD1       PRO 127   0.589  11.849   6.922
  951   2HD   PRO 127          HD2       PRO 127   0.042  11.186   5.318
  952    H    TYR 128           HN       TYR 128   0.648  14.001   7.444
  953    HA   TYR 128           HA       TYR 128   0.270  16.727   8.474
  954   1HB   TYR 128          HB1       TYR 128  -1.153  14.636   9.377
  955   2HB   TYR 128          HB2       TYR 128   0.363  14.108  10.150
  956    HD1  TYR 128           HD1      TYR 128   1.272  15.390  12.005
  957    HD2  TYR 128           HD2      TYR 128  -2.242  16.734   9.991
  958    HE1  TYR 128           HE1      TYR 128   0.870  17.036  13.793
  959    HE2  TYR 128           HE2      TYR 128  -2.639  18.378  11.782
  960    HH   TYR 128           HH       TYR 128  -1.917  19.219  13.725
  961    H    GLU 129           HN       GLU 129   2.150  17.749   9.196
  962    HA   GLU 129           HA       GLU 129   4.389  16.411  10.220
  963   1HB   GLU 129          HB1       GLU 129   6.070  17.011   8.452
  964   2HB   GLU 129          HB2       GLU 129   4.888  15.795   7.890
  965   1HG   GLU 129          HG2       GLU 129   3.579  17.627   6.705
  966   2HG   GLU 129          HG1       GLU 129   4.886  18.794   7.135
  Start of MODEL    6
    1    H    ASN   7           HN       ASN   7 -14.995  12.036   1.959
    2    HA   ASN   7           HA       ASN   7 -16.791  11.378  -0.106
    3   1HB   ASN   7          HB2       ASN   7 -17.252  13.891  -0.098
    4   2HB   ASN   7          HB1       ASN   7 -17.535  13.023   1.448
    5   1HD2  ASN   7          HD21      ASN   7 -16.778  15.932   0.721
    6   2HD2  ASN   7          HD22      ASN   7 -15.464  16.253   1.880
    7    H    SER   8           HN       SER   8 -13.463  12.370   0.082
    8    HA   SER   8           HA       SER   8 -13.280  12.955  -2.801
    9   1HB   SER   8          HB1       SER   8 -10.955  13.815  -2.130
   10   2HB   SER   8          HB2       SER   8 -12.370  14.681  -1.437
   11    HG   SER   8           HG       SER   8 -10.868  14.258   0.177
   12    H    PHE   9           HN       PHE   9 -11.447  11.007  -0.377
   13    HA   PHE   9           HA       PHE   9 -10.091   9.459  -2.474
   14   1HB   PHE   9          HB2       PHE   9  -9.743   9.475   0.608
   15   2HB   PHE   9          HB1       PHE   9  -8.732   8.638  -0.621
   16    HD1  PHE   9           HD1      PHE   9  -7.343   9.700  -2.113
   17    HD2  PHE   9           HD2      PHE   9  -9.560  11.894   0.757
   18    HE1  PHE   9           HE1      PHE   9  -5.628  11.311  -2.108
   19    HE2  PHE   9           HE2      PHE   9  -8.189  13.789   0.393
   20    HZ   PHE   9           HZ       PHE   9  -6.040  13.570  -0.962
   21    H    VAL  10           HN       VAL  10 -12.837   8.988  -1.978
   22    HA   VAL  10           HA       VAL  10 -13.515   6.810  -0.564
   23    HB   VAL  10           HB       VAL  10 -14.720   7.768  -3.193
   24   1HG1  VAL  10          HG11      VAL  10 -15.773   5.690  -2.332
   25   2HG1  VAL  10          HG12      VAL  10 -16.869   7.094  -2.073
   26   3HG1  VAL  10          HG13      VAL  10 -15.930   6.424  -0.685
   27   1HG2  VAL  10          HG21      VAL  10 -14.419   9.791  -1.985
   28   2HG2  VAL  10          HG22      VAL  10 -14.462   9.018  -0.372
   29   3HG2  VAL  10          HG23      VAL  10 -15.977   9.251  -1.324
   30    H    GLY  11           HN       GLY  11 -11.942   6.568  -3.693
   31   1HA   GLY  11          HA2       GLY  11 -11.703   3.660  -3.293
   32   2HA   GLY  11          HA1       GLY  11 -11.951   4.495  -4.951
   33    H    LEU  12           HN       LEU  12  -9.895   5.609  -2.209
   34    HA   LEU  12           HA       LEU  12  -7.490   5.649  -3.820
   35   1HB   LEU  12          HB1       LEU  12  -8.366   7.428  -2.236
   36   2HB   LEU  12          HB2       LEU  12  -8.009   6.286  -0.890
   37    HG   LEU  12           HG       LEU  12  -5.896   8.244  -2.027
   38   1HD1  LEU  12          HD21      LEU  12  -6.274   8.829   0.103
   39   2HD1  LEU  12          HD22      LEU  12  -5.920   7.111   0.633
   40   3HD1  LEU  12          HD23      LEU  12  -7.548   7.647   0.346
   41   1HD2  LEU  12          HD11      LEU  12  -5.282   5.613  -1.018
   42   2HD2  LEU  12          HD12      LEU  12  -4.282   7.090  -1.597
   43   3HD2  LEU  12          HD13      LEU  12  -5.175   6.168  -2.802
   44    H    ARG  13           HN       ARG  13  -5.358   4.595  -2.709
   45    HA   ARG  13           HA       ARG  13  -5.830   1.750  -2.206
   46   1HB   ARG  13          HB2       ARG  13  -3.725   3.115  -3.942
   47   2HB   ARG  13          HB1       ARG  13  -3.822   1.356  -3.590
   48   1HG   ARG  13          HG2       ARG  13  -5.216   1.021  -5.284
   49   2HG   ARG  13          HG1       ARG  13  -6.425   2.150  -4.592
   50   1HD   ARG  13          HD1       ARG  13  -4.072   2.851  -6.475
   51   2HD   ARG  13          HD2       ARG  13  -5.829   2.795  -6.920
   52    HE   ARG  13           HE       ARG  13  -5.939   4.588  -4.887
   53   1HH1  ARG  13          HH11      ARG  13  -3.610   4.449  -7.600
   54   2HH1  ARG  13          HH12      ARG  13  -3.299   6.153  -7.583
   55   1HH2  ARG  13          HH21      ARG  13  -5.501   6.859  -4.884
   56   2HH2  ARG  13          HH22      ARG  13  -4.386   7.539  -6.022
   57    H    VAL  14           HN       VAL  14  -4.555   1.017  -0.222
   58    HA   VAL  14           HA       VAL  14  -2.603   3.007   0.712
   59    HB   VAL  14           HB       VAL  14  -3.298   3.054   2.936
   60   1HG1  VAL  14          HG21      VAL  14  -5.249   4.334   2.635
   61   2HG1  VAL  14          HG22      VAL  14  -5.831   3.309   1.254
   62   3HG1  VAL  14          HG23      VAL  14  -4.459   4.451   1.034
   63   1HG2  VAL  14          HG11      VAL  14  -5.247   2.294   3.931
   64   2HG2  VAL  14          HG12      VAL  14  -4.244   0.885   3.441
   65   3HG2  VAL  14          HG13      VAL  14  -5.743   1.385   2.500
   66    H    VAL  15           HN       VAL  15  -1.374   2.476   2.549
   67    HA   VAL  15           HA       VAL  15  -0.623  -0.423   2.623
   68    HB   VAL  15           HB       VAL  15   1.737   0.303   3.043
   69   1HG1  VAL  15          HG21      VAL  15   1.037  -0.967   1.106
   70   2HG1  VAL  15          HG22      VAL  15   2.103   0.327   0.470
   71   3HG1  VAL  15          HG23      VAL  15   0.313   0.454   0.282
   72   1HG2  VAL  15          HG11      VAL  15   0.617   2.923   1.804
   73   2HG2  VAL  15          HG12      VAL  15   2.334   2.430   1.665
   74   3HG2  VAL  15          HG13      VAL  15   1.608   2.665   3.292
   75    H    ALA  16           HN       ALA  16   0.124  -1.161   4.632
   76    HA   ALA  16           HA       ALA  16  -1.113   0.439   6.811
   77   1HB   ALA  16          HB1       ALA  16  -1.907  -1.749   7.672
   78   2HB   ALA  16          HB2       ALA  16  -1.101  -2.586   6.305
   79   3HB   ALA  16          HB3       ALA  16  -2.451  -1.479   5.984
   80    H    LYS  17           HN       LYS  17   0.346   1.367   8.008
   81    HA   LYS  17           HA       LYS  17   2.228  -0.490   9.325
   82   1HB   LYS  17          HB2       LYS  17   3.367   2.037   9.560
   83   2HB   LYS  17          HB1       LYS  17   3.925   0.696   8.507
   84   1HG   LYS  17          HG1       LYS  17   3.258   1.843   6.493
   85   2HG   LYS  17          HG2       LYS  17   1.893   2.576   7.347
   86   1HD   LYS  17          HD1       LYS  17   3.027   4.436   7.174
   87   2HD   LYS  17          HD2       LYS  17   3.593   3.922   8.779
   88   1HE   LYS  17          HE2       LYS  17   5.713   3.008   7.690
   89   2HE   LYS  17          HE1       LYS  17   5.081   3.616   6.085
   90   1HZ   LYS  17          HZ1       LYS  17   5.095   5.834   7.017
   91   2HZ   LYS  17          HZ2       LYS  17   6.638   5.128   7.114
   92   3HZ   LYS  17          HZ3       LYS  17   5.673   5.257   8.506
   93    H    TRP  18           HN       TRP  18   0.747  -0.738  11.353
   94    HA   TRP  18           HA       TRP  18  -0.500   1.559  12.511
   95   1HB   TRP  18          HB2       TRP  18   0.002  -1.250  13.638
   96   2HB   TRP  18          HB1       TRP  18  -0.792   0.043  14.565
   97    HD1  TRP  18           HD1      TRP  18  -1.849  -2.764  12.226
   98    HE1  TRP  18           HE1      TRP  18  -4.455  -2.607  12.307
   99    HE3  TRP  18           HE3      TRP  18  -2.270   1.975  14.002
  100    HZ2  TRP  18           HZ2      TRP  18  -6.365  -0.709  13.087
  101    HZ3  TRP  18           HZ3      TRP  18  -4.426   2.779  14.640
  102    HH2  TRP  18           HH2      TRP  18  -6.482   1.475  14.206
  103    H    SER  19           HN       SER  19   2.528  -0.133  13.191
  104    HA   SER  19           HA       SER  19   3.751   2.303  14.199
  105   1HB   SER  19          HB1       SER  19   4.107  -0.508  15.461
  106   2HB   SER  19          HB2       SER  19   5.309   0.826  15.641
  107    HG   SER  19           HG       SER  19   2.574   1.026  16.427
  108    H    SER  20           HN       SER  20   5.877   2.375  13.094
  109    HA   SER  20           HA       SER  20   6.059   1.006  10.583
  110   1HB   SER  20          HB1       SER  20   7.940   2.888  12.139
  111   2HB   SER  20          HB2       SER  20   8.443   2.171  10.582
  112    HG   SER  20           HG       SER  20   6.142   3.809  10.933
  113    H    ASN  21           HN       ASN  21   7.051  -1.034  10.091
  114    HA   ASN  21           HA       ASN  21   8.409  -2.355  12.329
  115   1HB   ASN  21          HB1       ASN  21   6.220  -2.964  10.810
  116   2HB   ASN  21          HB2       ASN  21   7.395  -3.523   9.616
  117   1HD2  ASN  21          HD21      ASN  21   9.042  -4.680  12.150
  118   2HD2  ASN  21          HD22      ASN  21   8.027  -6.011  12.709
  119    H    GLY  22           HN       GLY  22   9.266  -0.904   9.570
  120   1HA   GLY  22          HA2       GLY  22  11.522  -0.880   8.652
  121   2HA   GLY  22          HA1       GLY  22  11.555  -2.646   8.859
  122    H    TYR  23           HN       TYR  23   8.647  -2.640   8.324
  123    HA   TYR  23           HA       TYR  23   8.271  -1.857   5.609
  124   1HB   TYR  23          HB2       TYR  23   7.010  -4.503   5.714
  125   2HB   TYR  23          HB1       TYR  23   8.141  -3.692   4.573
  126    HD1  TYR  23           HD1      TYR  23   8.167  -5.380   7.941
  127    HD2  TYR  23           HD2      TYR  23  10.187  -4.720   4.243
  128    HE1  TYR  23           HE1      TYR  23   9.943  -6.938   8.624
  129    HE2  TYR  23           HE2      TYR  23  11.956  -6.272   4.932
  130    HH   TYR  23           HH       TYR  23  12.422  -7.987   6.390
  131    H    PHE  24           HN       PHE  24   6.023  -2.115   4.784
  132    HA   PHE  24           HA       PHE  24   3.879  -1.717   6.787
  133   1HB   PHE  24          HB1       PHE  24   3.122  -0.569   4.193
  134   2HB   PHE  24          HB2       PHE  24   2.896   0.015   5.836
  135    HD1  PHE  24           HD1      PHE  24   5.633   0.439   6.725
  136    HD2  PHE  24           HD2      PHE  24   3.819   1.621   2.987
  137    HE1  PHE  24           HE1      PHE  24   7.559   1.763   6.116
  138    HE2  PHE  24           HE2      PHE  24   5.635   3.117   2.635
  139    HZ   PHE  24           HZ       PHE  24   7.622   3.040   4.174
  140    H    TYR  25           HN       TYR  25   2.078  -2.644   6.326
  141    HA   TYR  25           HA       TYR  25   1.859  -4.992   4.685
  142   1HB   TYR  25          HB1       TYR  25   0.199  -4.049   7.099
  143   2HB   TYR  25          HB2       TYR  25   0.035  -5.633   6.238
  144    HD1  TYR  25           HD1      TYR  25   1.980  -7.223   6.260
  145    HD2  TYR  25           HD2      TYR  25   1.929  -3.763   8.751
  146    HE1  TYR  25           HE1      TYR  25   3.657  -8.239   7.736
  147    HE2  TYR  25           HE2      TYR  25   3.654  -4.763  10.187
  148    HH   TYR  25           HH       TYR  25   5.159  -6.527  10.428
  149    H    SER  26           HN       SER  26  -0.853  -5.096   4.398
  150    HA   SER  26           HA       SER  26  -1.220  -3.243   2.149
  151   1HB   SER  26          HB1       SER  26  -0.750  -5.513   1.460
  152   2HB   SER  26          HB2       SER  26  -1.496  -6.157   2.946
  153    HG   SER  26           HG       SER  26  -3.542  -5.777   2.173
  154    H    GLY  27           HN       GLY  27  -2.959  -1.777   2.009
  155   1HA   GLY  27          HA2       GLY  27  -5.567  -2.534   3.089
  156   2HA   GLY  27          HA1       GLY  27  -4.800  -1.010   3.574
  157    H    LYS  28           HN       LYS  28  -7.449  -1.043   2.560
  158    HA   LYS  28           HA       LYS  28  -7.210   0.255  -0.064
  159   1HB   LYS  28          HB2       LYS  28  -9.699  -1.124   1.042
  160   2HB   LYS  28          HB1       LYS  28  -9.491  -0.344  -0.578
  161   1HG   LYS  28          HG2       LYS  28  -7.877  -2.137  -1.213
  162   2HG   LYS  28          HG1       LYS  28  -8.116  -2.917   0.388
  163   1HD   LYS  28          HD1       LYS  28 -10.379  -2.419  -1.662
  164   2HD   LYS  28          HD2       LYS  28  -9.477  -3.966  -1.436
  165   1HE   LYS  28          HE2       LYS  28 -10.297  -3.959   1.017
  166   2HE   LYS  28          HE1       LYS  28 -11.353  -2.559   0.587
  167   1HZ   LYS  28          HZ1       LYS  28 -12.508  -4.635   0.445
  168   2HZ   LYS  28          HZ2       LYS  28 -11.392  -5.247  -0.682
  169   3HZ   LYS  28          HZ3       LYS  28 -12.383  -3.931  -1.096
  170    H    ILE  29           HN       ILE  29  -8.388   2.659  -0.109
  171    HA   ILE  29           HA       ILE  29  -9.523   3.297   2.553
  172    HB   ILE  29           HB       ILE  29  -9.094   4.933   0.034
  173   1HG1  ILE  29          HG12      ILE  29  -7.016   4.851   1.084
  174   2HG1  ILE  29          HG11      ILE  29  -7.703   6.331   1.756
  175   1HG2  ILE  29          HG21      ILE  29  -9.657   6.975   1.465
  176   2HG2  ILE  29          HG22      ILE  29 -10.258   5.850   2.724
  177   3HG2  ILE  29          HG23      ILE  29 -11.066   5.968   1.101
  178   1HD1  ILE  29          HD11      ILE  29  -8.489   5.103   3.831
  179   2HD1  ILE  29          HD12      ILE  29  -6.699   5.248   3.643
  180   3HD1  ILE  29          HD13      ILE  29  -7.494   3.694   3.272
  181    H    THR  30           HN       THR  30 -11.565   4.054   2.953
  182    HA   THR  30           HA       THR  30 -13.678   3.477   0.944
  183    HB   THR  30           HB       THR  30 -13.931   3.269   3.981
  184    HG1  THR  30           HG1      THR  30 -13.163   1.614   2.004
  185   1HG2  THR  30          HG21      THR  30 -16.181   2.252   3.336
  186   2HG2  THR  30          HG22      THR  30 -15.886   2.746   1.624
  187   3HG2  THR  30          HG23      THR  30 -16.105   3.997   2.904
  188    H    ARG  31           HN       ARG  31 -12.418   5.847   3.557
  189    HA   ARG  31           HA       ARG  31 -13.503   7.955   1.972
  190   1HB   ARG  31          HB1       ARG  31 -14.468   7.675   4.920
  191   2HB   ARG  31          HB2       ARG  31 -14.761   9.075   3.825
  192   1HG   ARG  31          HG2       ARG  31 -16.300   7.670   2.456
  193   2HG   ARG  31          HG1       ARG  31 -15.968   6.271   3.549
  194   1HD   ARG  31          HD2       ARG  31 -16.784   7.588   5.525
  195   2HD   ARG  31          HD1       ARG  31 -17.215   8.963   4.416
  196    HE   ARG  31           HE       ARG  31 -18.431   6.599   3.347
  197   1HH1  ARG  31          HH11      ARG  31 -18.695   8.615   6.289
  198   2HH1  ARG  31          HH12      ARG  31 -20.367   8.243   6.552
  199   1HH2  ARG  31          HH21      ARG  31 -20.677   6.114   3.722
  200   2HH2  ARG  31          HH22      ARG  31 -21.505   6.806   5.077
  201    H    ASP  32           HN       ASP  32 -12.682  10.068   3.305
  202    HA   ASP  32           HA       ASP  32 -10.146   9.386   4.674
  203   1HB   ASP  32          HB2       ASP  32  -9.501  11.739   4.415
  204   2HB   ASP  32          HB1       ASP  32  -9.808  10.925   2.849
  205    H    VAL  33           HN       VAL  33  -9.674  10.531   6.857
  206    HA   VAL  33           HA       VAL  33 -12.186  11.476   8.155
  207    HB   VAL  33           HB       VAL  33 -10.945  10.622  10.376
  208   1HG1  VAL  33          HG21      VAL  33 -12.719   8.873  10.378
  209   2HG1  VAL  33          HG22      VAL  33 -12.919   9.048   8.598
  210   3HG1  VAL  33          HG23      VAL  33 -13.343  10.416   9.691
  211   1HG2  VAL  33          HG11      VAL  33  -9.817   8.502  10.255
  212   2HG2  VAL  33          HG12      VAL  33  -9.236   9.182   8.785
  213   3HG2  VAL  33          HG13      VAL  33 -10.610   8.048   8.754
  214    H    GLY  34           HN       GLY  34 -12.058  13.482   8.590
  215   1HA   GLY  34          HA2       GLY  34 -11.372  15.591   8.670
  216   2HA   GLY  34          HA1       GLY  34 -10.236  14.964   9.911
  217    H    ALA  35           HN       ALA  35  -8.476  16.202   9.683
  218    HA   ALA  35           HA       ALA  35  -6.949  16.179   7.140
  219   1HB   ALA  35          HB1       ALA  35  -7.419  18.562   7.966
  220   2HB   ALA  35          HB2       ALA  35  -5.682  18.128   8.129
  221   3HB   ALA  35          HB3       ALA  35  -6.763  18.101   9.579
  222    H    GLY  36           HN       GLY  36  -5.407  14.816   7.056
  223   1HA   GLY  36          HA2       GLY  36  -3.493  13.877   7.786
  224   2HA   GLY  36          HA1       GLY  36  -3.900  14.183   9.500
  225    H    LYS  37           HN       LYS  37  -6.752  12.699   8.500
  226    HA   LYS  37           HA       LYS  37  -5.592  10.024   8.909
  227   1HB   LYS  37          HB2       LYS  37  -8.368  10.689   9.873
  228   2HB   LYS  37          HB1       LYS  37  -7.345   9.369  10.415
  229   1HG   LYS  37          HG2       LYS  37  -6.697  10.640  12.168
  230   2HG   LYS  37          HG1       LYS  37  -6.459  12.137  11.193
  231   1HD   LYS  37          HD1       LYS  37  -8.965  12.418  11.119
  232   2HD   LYS  37          HD2       LYS  37  -9.151  10.961  12.156
  233   1HE   LYS  37          HE2       LYS  37  -7.837  12.150  13.979
  234   2HE   LYS  37          HE1       LYS  37  -7.678  13.600  12.892
  235   1HZ   LYS  37          HZ1       LYS  37 -10.222  12.417  13.881
  236   2HZ   LYS  37          HZ2       LYS  37 -10.069  13.772  12.867
  237   3HZ   LYS  37          HZ3       LYS  37  -9.471  13.829  14.456
  238    H    TYR  38           HN       TYR  38  -6.961   8.213   8.343
  239    HA   TYR  38           HA       TYR  38  -8.657   8.588   5.971
  240   1HB   TYR  38          HB1       TYR  38  -6.270   6.637   6.203
  241   2HB   TYR  38          HB2       TYR  38  -7.486   6.688   4.856
  242    HD1  TYR  38           HD1      TYR  38  -7.875   9.045   3.786
  243    HD2  TYR  38           HD2      TYR  38  -4.374   7.895   5.910
  244    HE1  TYR  38           HE1      TYR  38  -6.701  11.007   2.902
  245    HE2  TYR  38           HE2      TYR  38  -3.127   9.763   4.898
  246    HH   TYR  38           HH       TYR  38  -3.332  11.400   3.130
  247    H    LYS  39           HN       LYS  39 -10.378   6.830   5.610
  248    HA   LYS  39           HA       LYS  39 -10.901   5.005   7.897
  249   1HB   LYS  39          HB1       LYS  39 -12.677   6.594   8.041
  250   2HB   LYS  39          HB2       LYS  39 -12.526   7.070   6.330
  251   1HG   LYS  39          HG1       LYS  39 -14.641   5.992   6.607
  252   2HG   LYS  39          HG2       LYS  39 -13.615   4.907   5.611
  253   1HD   LYS  39          HD2       LYS  39 -13.164   3.509   7.711
  254   2HD   LYS  39          HD1       LYS  39 -14.338   4.549   8.586
  255   1HE   LYS  39          HE2       LYS  39 -14.886   2.834   6.059
  256   2HE   LYS  39          HE1       LYS  39 -15.440   2.463   7.743
  257   1HZ   LYS  39          HZ1       LYS  39 -16.249   4.814   6.121
  258   2HZ   LYS  39          HZ2       LYS  39 -16.763   4.459   7.701
  259   3HZ   LYS  39          HZ3       LYS  39 -17.174   3.421   6.420
  260    H    LEU  40           HN       LEU  40 -10.360   3.226   7.430
  261    HA   LEU  40           HA       LEU  40 -10.280   2.469   4.563
  262   1HB   LEU  40          HB1       LEU  40  -7.926   1.972   4.746
  263   2HB   LEU  40          HB2       LEU  40  -8.182   3.585   5.471
  264    HG   LEU  40           HG       LEU  40  -6.843   2.800   6.997
  265   1HD1  LEU  40          HD11      LEU  40  -8.698   3.407   8.321
  266   2HD1  LEU  40          HD12      LEU  40  -7.715   2.109   9.074
  267   3HD1  LEU  40          HD13      LEU  40  -9.263   1.654   8.269
  268   1HD2  LEU  40          HD21      LEU  40  -7.966  -0.102   6.875
  269   2HD2  LEU  40          HD22      LEU  40  -6.399   0.412   7.550
  270   3HD2  LEU  40          HD23      LEU  40  -6.707   0.442   5.744
  271    H    LEU  41           HN       LEU  41  -9.908   0.282   3.998
  272    HA   LEU  41           HA       LEU  41 -10.427  -1.559   6.257
  273   1HB   LEU  41          HB2       LEU  41 -12.377  -0.687   5.343
  274   2HB   LEU  41          HB1       LEU  41 -12.019  -1.130   3.627
  275    HG   LEU  41           HG       LEU  41 -12.365  -3.257   5.841
  276   1HD1  LEU  41          HD21      LEU  41 -14.734  -3.528   5.148
  277   2HD1  LEU  41          HD22      LEU  41 -14.563  -2.250   3.886
  278   3HD1  LEU  41          HD23      LEU  41 -14.488  -1.810   5.619
  279   1HD2  LEU  41          HD11      LEU  41 -12.789  -3.278   2.732
  280   2HD2  LEU  41          HD12      LEU  41 -12.927  -4.711   3.800
  281   3HD2  LEU  41          HD13      LEU  41 -11.331  -3.916   3.531
  282    H    PHE  42           HN       PHE  42  -9.127  -3.390   6.176
  283    HA   PHE  42           HA       PHE  42  -7.024  -3.416   4.138
  284   1HB   PHE  42          HB2       PHE  42  -7.658  -5.586   6.233
  285   2HB   PHE  42          HB1       PHE  42  -6.334  -5.738   4.996
  286    HD1  PHE  42           HD1      PHE  42  -4.367  -5.605   6.016
  287    HD2  PHE  42           HD2      PHE  42  -7.344  -2.859   7.382
  288    HE1  PHE  42           HE1      PHE  42  -2.774  -4.628   7.588
  289    HE2  PHE  42           HE2      PHE  42  -5.728  -1.873   8.902
  290    HZ   PHE  42           HZ       PHE  42  -3.438  -2.741   9.026
  291    H    ASP  43           HN       ASP  43  -6.750  -5.012   2.361
  292    HA   ASP  43           HA       ASP  43  -8.924  -5.578   0.807
  293   1HB   ASP  43          HB2       ASP  43  -6.196  -7.005   0.837
  294   2HB   ASP  43          HB1       ASP  43  -7.372  -7.039  -0.534
  295    H    ASP  44           HN       ASP  44  -7.900  -7.318   3.409
  296    HA   ASP  44           HA       ASP  44  -9.338  -9.800   2.950
  297   1HB   ASP  44          HB1       ASP  44  -7.791 -10.724   4.581
  298   2HB   ASP  44          HB2       ASP  44  -6.911  -9.704   3.339
  299    H    GLY  45           HN       GLY  45 -10.158  -6.720   4.339
  300   1HA   GLY  45          HA2       GLY  45 -12.187  -6.300   4.929
  301   2HA   GLY  45          HA1       GLY  45 -12.486  -7.995   5.582
  302    H    TYR  46           HN       TYR  46  -9.765  -6.132   6.823
  303    HA   TYR  46           HA       TYR  46 -11.186  -5.793   9.391
  304   1HB   TYR  46          HB1       TYR  46  -8.933  -6.958   9.313
  305   2HB   TYR  46          HB2       TYR  46  -8.188  -5.450   8.698
  306    HD1  TYR  46           HD1      TYR  46  -8.193  -3.387  10.228
  307    HD2  TYR  46           HD2      TYR  46  -9.253  -7.282  11.623
  308    HE1  TYR  46           HE1      TYR  46  -7.791  -2.665  12.521
  309    HE2  TYR  46           HE2      TYR  46  -8.787  -6.574  13.920
  310    HH   TYR  46           HH       TYR  46  -8.067  -4.919  15.286
  311    H    GLU  47           HN       GLU  47 -12.410  -3.830   9.399
  312    HA   GLU  47           HA       GLU  47 -11.073  -1.456   8.278
  313   1HB   GLU  47          HB1       GLU  47 -12.862  -1.654   7.043
  314   2HB   GLU  47          HB2       GLU  47 -13.974  -2.178   8.223
  315   1HG   GLU  47          HG2       GLU  47 -12.677   0.718   7.973
  316   2HG   GLU  47          HG1       GLU  47 -14.151   0.189   7.062
  317    H    CYS  48           HN       CYS  48 -11.193   0.591   9.076
  318    HA   CYS  48           HA       CYS  48 -11.630   0.919  11.907
  319   1HB   CYS  48          HB2       CYS  48  -8.961   1.325  12.111
  320   2HB   CYS  48          HB1       CYS  48  -9.680  -0.312  12.353
  321    HG   CYS  48           HG       CYS  48  -8.869   0.273   9.333
  322    H    ASP  49           HN       ASP  49 -10.386   3.208  12.412
  323    HA   ASP  49           HA       ASP  49 -10.045   4.686   9.886
  324   1HB   ASP  49          HB2       ASP  49 -10.673   6.409  12.364
  325   2HB   ASP  49          HB1       ASP  49 -10.926   6.697  10.626
  326    H    VAL  50           HN       VAL  50  -8.016   5.830  10.029
  327    HA   VAL  50           HA       VAL  50  -6.522   5.609  12.511
  328    HB   VAL  50           HB       VAL  50  -4.579   4.498  11.203
  329   1HG1  VAL  50          HG21      VAL  50  -6.279   3.168  12.529
  330   2HG1  VAL  50          HG22      VAL  50  -5.415   2.261  11.218
  331   3HG1  VAL  50          HG23      VAL  50  -7.117   2.796  10.984
  332   1HG2  VAL  50          HG11      VAL  50  -4.849   5.001   8.901
  333   2HG2  VAL  50          HG12      VAL  50  -6.638   4.945   8.935
  334   3HG2  VAL  50          HG13      VAL  50  -5.737   3.414   8.963
  335    H    LEU  51           HN       LEU  51  -4.220   6.681  12.220
  336    HA   LEU  51           HA       LEU  51  -4.599   9.053  10.643
  337   1HB   LEU  51          HB1       LEU  51  -3.728   8.701  13.193
  338   2HB   LEU  51          HB2       LEU  51  -2.141   8.409  12.433
  339    HG   LEU  51           HG       LEU  51  -2.482  10.629  13.472
  340   1HD1  LEU  51          HD21      LEU  51  -2.060  11.130  10.470
  341   2HD1  LEU  51          HD22      LEU  51  -0.823  10.492  11.604
  342   3HD1  LEU  51          HD23      LEU  51  -1.524  12.118  11.854
  343   1HD2  LEU  51          HD11      LEU  51  -4.591  11.089  11.285
  344   2HD2  LEU  51          HD12      LEU  51  -3.929  12.379  12.347
  345   3HD2  LEU  51          HD13      LEU  51  -4.852  11.004  13.063
  346    H    GLY  52           HN       GLY  52  -3.078  10.087   9.341
  347   1HA   GLY  52          HA2       GLY  52  -3.152   8.363   7.274
  348   2HA   GLY  52          HA1       GLY  52  -2.618  10.038   7.218
  349    H    LYS  53           HN       LYS  53  -0.575   8.685   9.308
  350    HA   LYS  53           HA       LYS  53   1.561   8.181   7.294
  351   1HB   LYS  53          HB1       LYS  53   3.212   8.882   8.621
  352   2HB   LYS  53          HB2       LYS  53   1.941  10.077   9.003
  353   1HG   LYS  53          HG1       LYS  53   2.914   7.708  10.749
  354   2HG   LYS  53          HG2       LYS  53   3.323   9.420  10.967
  355   1HD   LYS  53          HD2       LYS  53   1.137   9.995  11.736
  356   2HD   LYS  53          HD1       LYS  53   0.404   8.446  11.158
  357   1HE   LYS  53          HE2       LYS  53   0.605   8.358  13.590
  358   2HE   LYS  53          HE1       LYS  53   1.712   7.150  12.849
  359   1HZ   LYS  53          HZ1       LYS  53   2.757   8.361  14.623
  360   2HZ   LYS  53          HZ2       LYS  53   2.481   9.847  13.849
  361   3HZ   LYS  53          HZ3       LYS  53   3.527   8.706  13.149
  362    H    ASP  54           HN       ASP  54  -0.837   6.494   8.773
  363    HA   ASP  54           HA       ASP  54   0.786   4.169   9.504
  364   1HB   ASP  54          HB1       ASP  54  -2.034   4.888  10.567
  365   2HB   ASP  54          HB2       ASP  54  -1.112   3.394  10.948
  366    H    ILE  55           HN       ILE  55  -2.748   4.490   8.680
  367    HA   ILE  55           HA       ILE  55  -2.144   2.688   6.382
  368    HB   ILE  55           HB       ILE  55  -4.842   2.542   7.542
  369   1HG1  ILE  55          HG11      ILE  55  -3.603   2.532   9.662
  370   2HG1  ILE  55          HG12      ILE  55  -4.457   1.018   9.293
  371   1HG2  ILE  55          HG21      ILE  55  -4.613   1.181   5.710
  372   2HG2  ILE  55          HG22      ILE  55  -4.251   0.014   7.034
  373   3HG2  ILE  55          HG23      ILE  55  -2.932   0.736   6.044
  374   1HD1  ILE  55          HD11      ILE  55  -1.357   1.356   9.060
  375   2HD1  ILE  55          HD12      ILE  55  -2.307  -0.147   8.880
  376   3HD1  ILE  55          HD13      ILE  55  -2.233   0.699  10.450
  377    H    LEU  56           HN       LEU  56  -1.816   3.954   4.885
  378    HA   LEU  56           HA       LEU  56  -3.537   6.324   4.566
  379   1HB   LEU  56          HB2       LEU  56  -1.646   7.667   4.452
  380   2HB   LEU  56          HB1       LEU  56  -1.321   6.492   5.768
  381    HG   LEU  56           HG       LEU  56   0.638   6.941   4.715
  382   1HD1  LEU  56          HD21      LEU  56  -0.208   4.162   3.641
  383   2HD1  LEU  56          HD22      LEU  56   0.752   4.531   5.119
  384   3HD1  LEU  56          HD23      LEU  56   1.421   4.826   3.452
  385   1HD2  LEU  56          HD11      LEU  56   1.300   6.852   2.374
  386   2HD2  LEU  56          HD12      LEU  56  -0.239   7.815   2.563
  387   3HD2  LEU  56          HD13      LEU  56  -0.192   6.142   1.891
  388    H    LEU  57           HN       LEU  57  -3.626   7.568   2.628
  389    HA   LEU  57           HA       LEU  57  -3.905   6.467   0.296
  390   1HB   LEU  57          HB1       LEU  57  -4.198   8.788  -0.365
  391   2HB   LEU  57          HB2       LEU  57  -4.604   8.704   1.386
  392    HG   LEU  57           HG       LEU  57  -3.824  10.718   1.175
  393   1HD1  LEU  57          HD21      LEU  57  -1.112   9.414   1.723
  394   2HD1  LEU  57          HD22      LEU  57  -2.384   9.455   2.916
  395   3HD1  LEU  57          HD23      LEU  57  -1.644  11.002   2.312
  396   1HD2  LEU  57          HD11      LEU  57  -1.633  10.031  -0.830
  397   2HD2  LEU  57          HD12      LEU  57  -2.031  11.652  -0.178
  398   3HD2  LEU  57          HD13      LEU  57  -3.244  10.751  -1.167
  399    H    CYS  58           HN       CYS  58  -2.552   5.339  -0.870
  400    HA   CYS  58           HA       CYS  58   0.015   6.499  -1.498
  401   1HB   CYS  58          HB1       CYS  58  -0.662   4.516   0.375
  402   2HB   CYS  58          HB2       CYS  58  -0.491   3.532  -1.062
  403    HG   CYS  58           HG       CYS  58   1.990   4.605  -1.611
  404    H    ASP  59           HN       ASP  59   0.624   5.310  -3.322
  405    HA   ASP  59           HA       ASP  59  -1.104   5.328  -5.702
  406   1HB   ASP  59          HB2       ASP  59   1.409   6.208  -5.688
  407   2HB   ASP  59          HB1       ASP  59   1.874   4.566  -5.921
  408    HA   PRO  60           HA       PRO  60   0.633   3.378  -2.572
  409   1HB   PRO  60          HB2       PRO  60   2.061   0.915  -2.307
  410   2HB   PRO  60          HB1       PRO  60   0.660   1.561  -1.411
  411   1HG   PRO  60          HG2       PRO  60   0.606  -0.337  -3.736
  412   2HG   PRO  60          HG1       PRO  60  -0.523  -0.173  -2.334
  413   1HD   PRO  60          HD1       PRO  60  -1.360   0.751  -4.787
  414   2HD   PRO  60          HD2       PRO  60  -1.707   1.595  -3.241
  415    H    ILE  61           HN       ILE  61   2.833   1.587  -4.695
  416    HA   ILE  61           HA       ILE  61   4.440   4.052  -4.278
  417    HB   ILE  61           HB       ILE  61   4.882   1.164  -3.651
  418   1HG1  ILE  61          HG12      ILE  61   4.372   3.757  -2.321
  419   2HG1  ILE  61          HG11      ILE  61   4.257   2.130  -1.752
  420   1HG2  ILE  61          HG21      ILE  61   7.265   1.519  -3.157
  421   2HG2  ILE  61          HG22      ILE  61   7.228   3.226  -3.622
  422   3HG2  ILE  61          HG23      ILE  61   7.081   1.941  -4.902
  423   1HD1  ILE  61          HD11      ILE  61   5.742   3.569  -0.417
  424   2HD1  ILE  61          HD12      ILE  61   6.731   4.029  -1.862
  425   3HD1  ILE  61          HD13      ILE  61   6.805   2.328  -1.228
  426    HA   PRO  62           HA       PRO  62   5.476   5.017  -8.180
  427   1HB   PRO  62          HB2       PRO  62   8.509   4.408  -7.550
  428   2HB   PRO  62          HB1       PRO  62   7.749   5.930  -8.205
  429   1HG   PRO  62          HG1       PRO  62   8.382   5.037  -5.429
  430   2HG   PRO  62          HG2       PRO  62   7.715   6.643  -5.948
  431   1HD   PRO  62          HD1       PRO  62   6.414   4.735  -4.490
  432   2HD   PRO  62          HD2       PRO  62   5.522   5.861  -5.601
  433    H    LEU  63           HN       LEU  63   5.073   3.921  -9.941
  434    HA   LEU  63           HA       LEU  63   5.205   1.448 -10.779
  435   1HB   LEU  63          HB1       LEU  63   5.124   4.183 -12.217
  436   2HB   LEU  63          HB2       LEU  63   4.531   2.652 -12.949
  437    HG   LEU  63           HG       LEU  63   2.821   2.418 -11.130
  438   1HD1  LEU  63          HD21      LEU  63   3.503   5.362 -10.356
  439   2HD1  LEU  63          HD22      LEU  63   3.337   3.983  -9.194
  440   3HD1  LEU  63          HD23      LEU  63   1.937   4.562 -10.062
  441   1HD2  LEU  63          HD11      LEU  63   2.566   3.207 -13.394
  442   2HD2  LEU  63          HD12      LEU  63   3.040   4.883 -12.902
  443   3HD2  LEU  63          HD13      LEU  63   1.448   4.165 -12.329
  444    H    ASP  64           HN       ASP  64   7.591   2.360 -10.238
  445    HA   ASP  64           HA       ASP  64   9.586   1.283 -12.210
  446   1HB   ASP  64          HB2       ASP  64   9.295   3.767 -10.409
  447   2HB   ASP  64          HB1       ASP  64  10.949   3.383 -10.998
  448    H    THR  65           HN       THR  65   8.277   0.245  -9.324
  449    HA   THR  65           HA       THR  65  10.706   0.538  -7.715
  450    HB   THR  65           HB       THR  65   7.905   0.479  -6.612
  451    HG1  THR  65           HG1      THR  65   8.473   2.403  -7.374
  452   1HG2  THR  65          HG21      THR  65   9.327  -0.676  -4.955
  453   2HG2  THR  65          HG22      THR  65   9.172   1.018  -4.435
  454   3HG2  THR  65          HG23      THR  65  10.674   0.492  -5.257
  455    H    GLU  66           HN       GLU  66  11.751  -0.965  -7.621
  456    HA   GLU  66           HA       GLU  66  10.927  -3.752  -7.346
  457   1HB   GLU  66          HB2       GLU  66  13.462  -2.621  -6.035
  458   2HB   GLU  66          HB1       GLU  66  13.121  -4.310  -6.564
  459   1HG   GLU  66          HG2       GLU  66  13.194  -3.495  -8.955
  460   2HG   GLU  66          HG1       GLU  66  13.534  -1.823  -8.334
  461    H    VAL  67           HN       VAL  67   9.219  -3.757  -5.958
  462    HA   VAL  67           HA       VAL  67   9.422  -3.175  -3.071
  463    HB   VAL  67           HB       VAL  67   6.819  -4.209  -3.599
  464   1HG1  VAL  67          HG11      VAL  67   7.763  -1.346  -3.089
  465   2HG1  VAL  67          HG12      VAL  67   7.686  -2.705  -1.848
  466   3HG1  VAL  67          HG13      VAL  67   6.191  -2.147  -2.605
  467   1HG2  VAL  67          HG21      VAL  67   5.848  -2.711  -5.196
  468   2HG2  VAL  67          HG22      VAL  67   7.178  -3.558  -6.067
  469   3HG2  VAL  67          HG23      VAL  67   7.392  -1.844  -5.478
  470    H    THR  68           HN       THR  68   8.076  -4.907  -1.782
  471    HA   THR  68           HA       THR  68   9.571  -7.413  -2.434
  472    HB   THR  68           HB       THR  68  10.385  -6.500  -0.493
  473    HG1  THR  68           HG1      THR  68   9.566  -7.915   1.139
  474   1HG2  THR  68          HG21      THR  68   8.469  -4.882  -0.173
  475   2HG2  THR  68          HG22      THR  68   8.710  -5.854   1.348
  476   3HG2  THR  68          HG23      THR  68   7.424  -6.272   0.128
  477    H    ALA  69           HN       ALA  69   8.587  -9.336  -2.757
  478    HA   ALA  69           HA       ALA  69   5.612  -9.308  -2.896
  479   1HB   ALA  69          HB1       ALA  69   7.771 -10.804  -4.411
  480   2HB   ALA  69          HB2       ALA  69   6.739  -9.437  -4.981
  481   3HB   ALA  69          HB3       ALA  69   5.971 -11.044  -4.639
  482    H    LEU  70           HN       LEU  70   4.393 -10.862  -1.862
  483    HA   LEU  70           HA       LEU  70   5.523 -11.791   0.510
  484   1HB   LEU  70          HB2       LEU  70   3.114 -11.155  -0.130
  485   2HB   LEU  70          HB1       LEU  70   2.934 -12.913  -0.379
  486    HG   LEU  70           HG       LEU  70   2.155 -12.268   1.808
  487   1HD1  LEU  70          HD21      LEU  70   3.553 -14.409   1.903
  488   2HD1  LEU  70          HD22      LEU  70   3.326 -13.535   3.464
  489   3HD1  LEU  70          HD23      LEU  70   4.877 -13.386   2.599
  490   1HD2  LEU  70          HD11      LEU  70   4.831 -10.844   2.329
  491   2HD2  LEU  70          HD12      LEU  70   3.482 -11.011   3.502
  492   3HD2  LEU  70          HD13      LEU  70   3.235 -10.063   1.988
  493    H    SER  71           HN       SER  71   6.745 -13.122   0.909
  494    HA   SER  71           HA       SER  71   6.503 -15.926   0.721
  495   1HB   SER  71          HB1       SER  71   8.981 -14.499  -0.382
  496   2HB   SER  71          HB2       SER  71   9.050 -16.179   0.287
  497    HG   SER  71           HG       SER  71   7.071 -15.422  -1.584
  498    H    GLU  72           HN       GLU  72   8.084 -16.635   2.610
  499    HA   GLU  72           HA       GLU  72   7.325 -15.739   4.942
  500   1HB   GLU  72          HB1       GLU  72  10.167 -16.411   5.209
  501   2HB   GLU  72          HB2       GLU  72   8.731 -17.460   5.503
  502   1HG   GLU  72          HG2       GLU  72  10.164 -16.860   2.819
  503   2HG   GLU  72          HG1       GLU  72  10.650 -18.101   4.043
  504    H    ASP  73           HN       ASP  73   8.330 -14.936   6.759
  505    HA   ASP  73           HA       ASP  73   8.310 -12.298   6.896
  506   1HB   ASP  73          HB2       ASP  73   7.976 -14.052   8.715
  507   2HB   ASP  73          HB1       ASP  73   9.732 -13.973   9.037
  508    H    GLU  74           HN       GLU  74  11.565 -13.874   7.114
  509    HA   GLU  74           HA       GLU  74  12.780 -11.197   6.679
  510   1HB   GLU  74          HB2       GLU  74  13.265 -12.327   8.859
  511   2HB   GLU  74          HB1       GLU  74  13.889 -13.752   7.981
  512   1HG   GLU  74          HG2       GLU  74  15.714 -12.353   8.882
  513   2HG   GLU  74          HG1       GLU  74  15.789 -12.441   7.093
  514    H    TYR  75           HN       TYR  75  11.664 -13.714   4.917
  515    HA   TYR  75           HA       TYR  75  14.152 -14.125   3.346
  516   1HB   TYR  75          HB2       TYR  75  11.890 -16.078   3.858
  517   2HB   TYR  75          HB1       TYR  75  13.431 -16.420   2.979
  518    HD1  TYR  75           HD1      TYR  75  15.568 -16.351   4.253
  519    HD2  TYR  75           HD2      TYR  75  11.825 -15.947   6.268
  520    HE1  TYR  75           HE1      TYR  75  16.674 -16.732   6.405
  521    HE2  TYR  75           HE2      TYR  75  12.927 -16.392   8.406
  522    HH   TYR  75           HH       TYR  75  16.412 -16.908   8.661
  523    H    PHE  76           HN       PHE  76  10.907 -13.062   3.056
  524    HA   PHE  76           HA       PHE  76  10.460 -13.271   0.320
  525   1HB   PHE  76          HB2       PHE  76   9.092 -11.048   0.420
  526   2HB   PHE  76          HB1       PHE  76   8.674 -12.400   1.453
  527    HD1  PHE  76           HD1      PHE  76   7.304 -10.915   2.558
  528    HD2  PHE  76           HD2      PHE  76  11.532 -10.309   2.680
  529    HE1  PHE  76           HE1      PHE  76   7.020  -9.347   4.405
  530    HE2  PHE  76           HE2      PHE  76  11.245  -8.748   4.518
  531    HZ   PHE  76           HZ       PHE  76   8.998  -8.217   5.383
  532    H    SER  77           HN       SER  77  10.355 -11.751  -1.542
  533    HA   SER  77           HA       SER  77  12.933 -10.233  -1.717
  534   1HB   SER  77          HB1       SER  77  13.422 -12.633  -2.219
  535   2HB   SER  77          HB2       SER  77  12.263 -12.592  -3.582
  536    HG   SER  77           HG       SER  77  13.610 -11.093  -4.584
  537    H    ALA  78           HN       ALA  78  13.256  -9.019  -3.615
  538    HA   ALA  78           HA       ALA  78  10.832  -7.668  -4.234
  539   1HB   ALA  78          HB1       ALA  78  12.240  -5.701  -4.936
  540   2HB   ALA  78          HB2       ALA  78  13.708  -6.745  -4.809
  541   3HB   ALA  78          HB3       ALA  78  12.731  -6.319  -3.357
  542    H    GLY  79           HN       GLY  79  10.124  -6.647  -6.027
  543   1HA   GLY  79          HA2       GLY  79  10.860  -7.453  -8.677
  544   2HA   GLY  79          HA1       GLY  79   9.182  -8.094  -8.081
  545    H    VAL  80           HN       VAL  80   9.265  -6.212 -10.219
  546    HA   VAL  80           HA       VAL  80   9.218  -3.564  -8.951
  547    HB   VAL  80           HB       VAL  80   9.398  -4.652 -11.839
  548   1HG1  VAL  80          HG11      VAL  80  10.185  -2.318 -12.459
  549   2HG1  VAL  80          HG12      VAL  80   9.853  -1.749 -10.788
  550   3HG1  VAL  80          HG13      VAL  80   8.496  -2.226 -11.870
  551   1HG2  VAL  80          HG21      VAL  80  11.385  -3.371  -9.917
  552   2HG2  VAL  80          HG22      VAL  80  11.787  -3.911 -11.589
  553   3HG2  VAL  80          HG23      VAL  80  11.360  -5.152 -10.319
  554    H    VAL  81           HN       VAL  81   7.440  -2.576  -8.323
  555    HA   VAL  81           HA       VAL  81   4.929  -3.286  -9.532
  556    HB   VAL  81           HB       VAL  81   5.249  -2.215  -7.220
  557   1HG1  VAL  81          HG21      VAL  81   6.754  -0.139  -8.169
  558   2HG1  VAL  81          HG22      VAL  81   5.492   0.179  -6.894
  559   3HG1  VAL  81          HG23      VAL  81   5.173   0.565  -8.571
  560   1HG2  VAL  81          HG11      VAL  81   3.341  -0.699  -9.128
  561   2HG2  VAL  81          HG12      VAL  81   3.315  -0.816  -7.347
  562   3HG2  VAL  81          HG13      VAL  81   3.009  -2.316  -8.330
  563    H    LYS  82           HN       LYS  82   3.850  -2.395 -11.274
  564    HA   LYS  82           HA       LYS  82   5.070  -0.042 -12.615
  565   1HB   LYS  82          HB2       LYS  82   4.427  -2.658 -14.046
  566   2HB   LYS  82          HB1       LYS  82   4.810  -1.108 -14.868
  567   1HG   LYS  82          HG2       LYS  82   7.043  -1.041 -13.791
  568   2HG   LYS  82          HG1       LYS  82   6.732  -2.656 -13.052
  569   1HD   LYS  82          HD2       LYS  82   6.459  -3.662 -15.313
  570   2HD   LYS  82          HD1       LYS  82   6.727  -2.060 -16.080
  571   1HE   LYS  82          HE2       LYS  82   8.788  -3.589 -14.339
  572   2HE   LYS  82          HE1       LYS  82   8.786  -3.496 -16.147
  573   1HZ   LYS  82          HZ1       LYS  82  10.299  -1.936 -15.163
  574   2HZ   LYS  82          HZ2       LYS  82   9.049  -1.198 -14.281
  575   3HZ   LYS  82          HZ3       LYS  82   9.051  -1.120 -15.977
  576    H    GLY  83           HN       GLY  83   2.137  -2.126 -12.326
  577   1HA   GLY  83          HA2       GLY  83   0.560   0.203 -13.299
  578   2HA   GLY  83          HA1       GLY  83   0.429  -1.456 -14.007
  579    H    HIS  84           HN       HIS  84  -1.440   0.474 -12.172
  580    HA   HIS  84           HA       HIS  84  -2.410  -1.818 -10.713
  581   1HB   HIS  84          HB1       HIS  84  -2.390  -0.274  -8.509
  582   2HB   HIS  84          HB2       HIS  84  -1.083  -1.417  -8.919
  583    HD1  HIS  84           HD1      HIS  84   1.229  -0.226  -9.746
  584    HD2  HIS  84           HD2      HIS  84  -1.781   2.437  -8.522
  585    HE1  HIS  84           HE1      HIS  84   2.293   2.053  -8.952
  586    H    ARG  85           HN       ARG  85  -4.431  -1.418  -9.413
  587    HA   ARG  85           HA       ARG  85  -5.904   0.936 -10.301
  588   1HB   ARG  85          HB2       ARG  85  -7.605  -0.425 -11.478
  589   2HB   ARG  85          HB1       ARG  85  -6.029  -0.883 -12.187
  590   1HG   ARG  85          HG1       ARG  85  -6.460  -3.059 -11.709
  591   2HG   ARG  85          HG2       ARG  85  -6.306  -2.657  -9.960
  592   1HD   ARG  85          HD2       ARG  85  -8.452  -3.742 -10.186
  593   2HD   ARG  85          HD1       ARG  85  -8.838  -2.001 -10.009
  594    HE   ARG  85           HE       ARG  85  -8.846  -3.615 -12.594
  595   1HH1  ARG  85          HH11      ARG  85  -9.975  -0.714 -10.818
  596   2HH1  ARG  85          HH12      ARG  85 -11.119  -0.267 -12.041
  597   1HH2  ARG  85          HH21      ARG  85 -10.384  -2.993 -14.194
  598   2HH2  ARG  85          HH22      ARG  85 -11.354  -1.574 -13.975
  599    H    LYS  86           HN       LYS  86  -8.117   0.945  -9.128
  600    HA   LYS  86           HA       LYS  86  -8.462  -1.340  -7.332
  601   1HB   LYS  86          HB2       LYS  86  -7.222   0.122  -6.032
  602   2HB   LYS  86          HB1       LYS  86  -8.254   1.563  -6.340
  603   1HG   LYS  86          HG2       LYS  86  -9.260  -1.000  -4.892
  604   2HG   LYS  86          HG1       LYS  86  -8.448   0.362  -4.038
  605   1HD   LYS  86          HD2       LYS  86 -10.276   1.912  -4.794
  606   2HD   LYS  86          HD1       LYS  86 -11.139   0.518  -5.500
  607   1HE   LYS  86          HE2       LYS  86 -11.128  -0.614  -3.211
  608   2HE   LYS  86          HE1       LYS  86 -10.419   0.905  -2.519
  609   1HZ   LYS  86          HZ1       LYS  86 -12.793   0.811  -2.273
  610   2HZ   LYS  86          HZ2       LYS  86 -13.016   0.658  -3.950
  611   3HZ   LYS  86          HZ3       LYS  86 -12.360   2.088  -3.307
  612    H    GLU  87           HN       GLU  87 -10.487  -1.970  -7.228
  613    HA   GLU  87           HA       GLU  87 -12.570  -0.400  -8.650
  614   1HB   GLU  87          HB1       GLU  87 -11.463  -2.688  -9.642
  615   2HB   GLU  87          HB2       GLU  87 -12.595  -3.466  -8.511
  616   1HG   GLU  87          HG2       GLU  87 -13.356  -1.414 -10.709
  617   2HG   GLU  87          HG1       GLU  87 -13.392  -3.201 -10.915
  618    H    SER  88           HN       SER  88 -14.796  -0.874  -7.563
  619    HA   SER  88           HA       SER  88 -14.767  -0.460  -4.872
  620   1HB   SER  88          HB2       SER  88 -17.072  -1.542  -6.583
  621   2HB   SER  88          HB1       SER  88 -17.220  -0.571  -5.068
  622    HG   SER  88           HG       SER  88 -16.764   1.186  -6.213
  623    H    GLY  89           HN       GLY  89 -13.307  -2.383  -4.297
  624   1HA   GLY  89          HA2       GLY  89 -13.560  -3.892  -2.439
  625   2HA   GLY  89          HA1       GLY  89 -14.896  -4.712  -3.316
  626    H    GLU  90           HN       GLU  90 -12.328  -3.902  -5.597
  627    HA   GLU  90           HA       GLU  90 -11.115  -6.526  -5.278
  628   1HB   GLU  90          HB2       GLU  90 -11.491  -5.198  -8.024
  629   2HB   GLU  90          HB1       GLU  90 -11.309  -6.900  -7.563
  630   1HG   GLU  90          HG2       GLU  90 -13.813  -5.140  -7.232
  631   2HG   GLU  90          HG1       GLU  90 -13.476  -6.254  -8.603
  632    H    LEU  91           HN       LEU  91  -8.784  -6.340  -5.521
  633    HA   LEU  91           HA       LEU  91  -7.834  -3.605  -6.210
  634   1HB   LEU  91          HB2       LEU  91  -7.601  -4.744  -3.720
  635   2HB   LEU  91          HB1       LEU  91  -6.225  -5.650  -4.433
  636    HG   LEU  91           HG       LEU  91  -5.528  -3.644  -3.254
  637   1HD1  LEU  91          HD11      LEU  91  -4.223  -4.143  -5.402
  638   2HD1  LEU  91          HD12      LEU  91  -4.127  -2.432  -4.837
  639   3HD1  LEU  91          HD13      LEU  91  -5.184  -2.834  -6.212
  640   1HD2  LEU  91          HD21      LEU  91  -7.611  -2.267  -3.426
  641   2HD2  LEU  91          HD22      LEU  91  -7.194  -1.934  -5.159
  642   3HD2  LEU  91          HD23      LEU  91  -6.129  -1.323  -3.866
  643    H    TYR  92           HN       TYR  92  -6.254  -3.625  -7.956
  644    HA   TYR  92           HA       TYR  92  -4.813  -6.201  -7.939
  645   1HB   TYR  92          HB1       TYR  92  -5.400  -5.065 -10.732
  646   2HB   TYR  92          HB2       TYR  92  -4.814  -6.707 -10.263
  647    HD1  TYR  92           HD1      TYR  92  -6.843  -7.946  -8.678
  648    HD2  TYR  92           HD2      TYR  92  -7.217  -5.276 -11.968
  649    HE1  TYR  92           HE1      TYR  92  -9.194  -8.591  -8.927
  650    HE2  TYR  92           HE2      TYR  92  -9.609  -5.824 -12.144
  651    HH   TYR  92           HH       TYR  92 -11.320  -7.095 -11.317
  652    H    TYR  93           HN       TYR  93  -2.850  -5.961  -7.661
  653    HA   TYR  93           HA       TYR  93  -1.553  -3.432  -8.443
  654   1HB   TYR  93          HB2       TYR  93  -2.023  -4.175  -5.783
  655   2HB   TYR  93          HB1       TYR  93  -0.491  -5.041  -6.095
  656    HD1  TYR  93           HD1      TYR  93   1.529  -3.808  -5.519
  657    HD2  TYR  93           HD2      TYR  93  -2.056  -1.780  -6.770
  658    HE1  TYR  93           HE1      TYR  93   2.722  -1.786  -5.564
  659    HE2  TYR  93           HE2      TYR  93  -0.741   0.297  -6.827
  660    HH   TYR  93           HH       TYR  93   2.702   0.495  -6.572
  661    H    SER  94           HN       SER  94  -0.123  -3.896 -10.080
  662    HA   SER  94           HA       SER  94   0.559  -6.659 -10.714
  663   1HB   SER  94          HB2       SER  94  -0.629  -4.789 -12.180
  664   2HB   SER  94          HB1       SER  94   0.971  -4.061 -12.291
  665    HG   SER  94           HG       SER  94   0.031  -6.653 -13.200
  666    H    ILE  95           HN       ILE  95   2.643  -7.523 -10.470
  667    HA   ILE  95           HA       ILE  95   4.909  -5.620 -10.120
  668    HB   ILE  95           HB       ILE  95   5.735  -7.749  -8.588
  669   1HG1  ILE  95          HG12      ILE  95   3.661  -8.967  -8.511
  670   2HG1  ILE  95          HG11      ILE  95   4.224  -8.357  -6.928
  671   1HG2  ILE  95          HG21      ILE  95   6.032  -5.339  -8.148
  672   2HG2  ILE  95          HG22      ILE  95   5.526  -6.249  -6.705
  673   3HG2  ILE  95          HG23      ILE  95   4.322  -5.220  -7.576
  674   1HD1  ILE  95          HD11      ILE  95   1.999  -7.791  -6.660
  675   2HD1  ILE  95          HD12      ILE  95   1.686  -7.702  -8.421
  676   3HD1  ILE  95          HD13      ILE  95   2.455  -6.326  -7.543
  677    H    GLU  96           HN       GLU  96   6.657  -6.012 -11.350
  678    HA   GLU  96           HA       GLU  96   6.482  -8.429 -13.081
  679   1HB   GLU  96          HB2       GLU  96   6.572  -6.215 -14.199
  680   2HB   GLU  96          HB1       GLU  96   8.230  -5.961 -13.555
  681   1HG   GLU  96          HG2       GLU  96   9.025  -7.986 -14.831
  682   2HG   GLU  96          HG1       GLU  96   7.339  -8.309 -15.382
  683    H    LYS  97           HN       LYS  97   7.723 -10.209 -12.753
  684    HA   LYS  97           HA       LYS  97  10.142  -9.801 -10.988
  685   1HB   LYS  97          HB1       LYS  97   8.066 -10.127  -9.578
  686   2HB   LYS  97          HB2       LYS  97   7.659 -11.495 -10.683
  687   1HG   LYS  97          HG2       LYS  97   8.379 -12.187  -8.378
  688   2HG   LYS  97          HG1       LYS  97   9.360 -12.938  -9.654
  689   1HD   LYS  97          HD2       LYS  97  11.226 -11.340  -9.109
  690   2HD   LYS  97          HD1       LYS  97  10.162 -10.502  -7.927
  691   1HE   LYS  97          HE2       LYS  97   9.967 -12.550  -6.547
  692   2HE   LYS  97          HE1       LYS  97  10.896 -13.499  -7.771
  693   1HZ   LYS  97          HZ1       LYS  97  12.799 -12.102  -7.341
  694   2HZ   LYS  97          HZ2       LYS  97  12.249 -12.835  -5.911
  695   3HZ   LYS  97          HZ3       LYS  97  11.928 -11.192  -6.202
  696    H    GLU  98           HN       GLU  98  11.811 -11.218 -11.490
  697    HA   GLU  98           HA       GLU  98  12.991 -12.883 -12.292
  698   1HB   GLU  98          HB2       GLU  98  10.339 -14.372 -11.799
  699   2HB   GLU  98          HB1       GLU  98  11.835 -15.261 -12.431
  700   1HG   GLU  98          HG2       GLU  98  11.572 -13.787  -9.781
  701   2HG   GLU  98          HG1       GLU  98  11.608 -15.566 -10.109
  702    H    GLY  99           HN       GLY  99  10.872 -11.433 -14.052
  703   1HA   GLY  99          HA2       GLY  99  11.517 -10.862 -16.342
  704   2HA   GLY  99          HA1       GLY  99  11.709 -12.622 -16.682
  705    H    GLN 100           HN       GLN 100   9.189 -12.654 -14.656
  706    HA   GLN 100           HA       GLN 100   7.170 -12.133 -16.695
  707   1HB   GLN 100          HB2       GLN 100   5.929 -14.220 -15.933
  708   2HB   GLN 100          HB1       GLN 100   7.524 -14.543 -16.661
  709   1HG   GLN 100          HG2       GLN 100   7.390 -16.046 -14.890
  710   2HG   GLN 100          HG1       GLN 100   8.512 -14.795 -14.287
  711   1HE2  GLN 100          HE21      GLN 100   7.858 -13.541 -12.474
  712   2HE2  GLN 100          HE22      GLN 100   6.333 -13.882 -11.603
  713    H    ARG 101           HN       ARG 101   4.868 -12.216 -15.839
  714    HA   ARG 101           HA       ARG 101   4.939 -10.083 -13.856
  715   1HB   ARG 101          HB1       ARG 101   3.935  -9.717 -16.156
  716   2HB   ARG 101          HB2       ARG 101   2.736 -10.997 -15.809
  717   1HG   ARG 101          HG1       ARG 101   1.655  -8.832 -15.483
  718   2HG   ARG 101          HG2       ARG 101   1.863  -9.592 -13.878
  719   1HD   ARG 101          HD2       ARG 101   2.575  -7.436 -13.401
  720   2HD   ARG 101          HD1       ARG 101   4.164  -8.165 -13.823
  721    HE   ARG 101           HE       ARG 101   3.170  -7.211 -16.274
  722   1HH1  ARG 101          HH11      ARG 101   3.914  -5.810 -13.074
  723   2HH1  ARG 101          HH12      ARG 101   4.315  -4.245 -13.699
  724   1HH2  ARG 101          HH21      ARG 101   3.713  -5.091 -17.101
  725   2HH2  ARG 101          HH22      ARG 101   4.200  -3.831 -16.015
  726    H    LYS 102           HN       LYS 102   3.830 -10.021 -11.943
  727    HA   LYS 102           HA       LYS 102   2.269 -12.471 -11.256
  728   1HB   LYS 102          HB1       LYS 102   4.391 -11.003  -9.645
  729   2HB   LYS 102          HB2       LYS 102   3.041 -11.828  -8.782
  730   1HG   LYS 102          HG2       LYS 102   3.634 -13.960  -9.414
  731   2HG   LYS 102          HG1       LYS 102   4.438 -13.445 -10.925
  732   1HD   LYS 102          HD1       LYS 102   5.970 -14.500  -9.283
  733   2HD   LYS 102          HD2       LYS 102   6.514 -12.906  -9.797
  734   1HE   LYS 102          HE1       LYS 102   5.046 -13.447  -7.110
  735   2HE   LYS 102          HE2       LYS 102   6.831 -13.443  -7.324
  736   1HZ   LYS 102          HZ1       LYS 102   6.714 -11.162  -8.029
  737   2HZ   LYS 102          HZ2       LYS 102   6.040 -11.369  -6.483
  738   3HZ   LYS 102          HZ3       LYS 102   5.027 -11.141  -7.829
  739    H    TRP 103           HN       TRP 103   0.160 -11.899 -11.090
  740    HA   TRP 103           HA       TRP 103  -0.426  -9.029 -10.542
  741   1HB   TRP 103          HB2       TRP 103  -1.734 -11.134 -12.348
  742   2HB   TRP 103          HB1       TRP 103  -2.818  -9.964 -11.545
  743    HD1  TRP 103           HD1      TRP 103  -1.101 -10.218 -14.803
  744    HE1  TRP 103           HE1      TRP 103  -1.908  -8.088 -16.084
  745    HE3  TRP 103           HE3      TRP 103  -2.382  -7.338 -10.824
  746    HZ2  TRP 103           HZ2      TRP 103  -3.148  -5.630 -15.424
  747    HZ3  TRP 103           HZ3      TRP 103  -3.193  -5.060 -11.233
  748    HH2  TRP 103           HH2      TRP 103  -3.642  -4.248 -13.482
  749    H    TYR 104           HN       TYR 104  -1.196  -8.712  -8.581
  750    HA   TYR 104           HA       TYR 104  -2.591 -10.763  -6.965
  751   1HB   TYR 104          HB2       TYR 104  -0.416  -8.820  -6.013
  752   2HB   TYR 104          HB1       TYR 104  -1.346  -9.999  -5.036
  753    HD1  TYR 104           HD1      TYR 104   1.855  -9.687  -6.194
  754    HD2  TYR 104           HD2      TYR 104  -1.434 -12.442  -6.371
  755    HE1  TYR 104           HE1      TYR 104   3.381 -11.538  -6.356
  756    HE2  TYR 104           HE2      TYR 104   0.123 -14.279  -6.606
  757    HH   TYR 104           HH       TYR 104   2.413 -14.788  -7.081
  758    H    LYS 105           HN       LYS 105  -3.620  -9.533  -5.016
  759    HA   LYS 105           HA       LYS 105  -4.632  -6.926  -5.584
  760   1HB   LYS 105          HB2       LYS 105  -6.025  -7.679  -3.402
  761   2HB   LYS 105          HB1       LYS 105  -6.559  -8.264  -4.980
  762   1HG   LYS 105          HG2       LYS 105  -5.609 -10.447  -4.700
  763   2HG   LYS 105          HG1       LYS 105  -4.777  -9.980  -3.174
  764   1HD   LYS 105          HD1       LYS 105  -6.919  -9.642  -2.029
  765   2HD   LYS 105          HD2       LYS 105  -7.839  -9.904  -3.551
  766   1HE   LYS 105          HE2       LYS 105  -6.068 -12.038  -2.166
  767   2HE   LYS 105          HE1       LYS 105  -7.869 -11.921  -2.033
  768   1HZ   LYS 105          HZ1       LYS 105  -6.323 -12.340  -4.535
  769   2HZ   LYS 105          HZ2       LYS 105  -8.013 -12.236  -4.405
  770   3HZ   LYS 105          HZ3       LYS 105  -7.183 -13.519  -3.667
  771    H    ARG 106           HN       ARG 106  -4.106  -5.657  -3.769
  772    HA   ARG 106           HA       ARG 106  -1.665  -5.199  -2.927
  773   1HB   ARG 106          HB2       ARG 106  -4.145  -5.134  -1.115
  774   2HB   ARG 106          HB1       ARG 106  -2.622  -4.460  -0.490
  775   1HG   ARG 106          HG1       ARG 106  -3.334  -3.244  -3.079
  776   2HG   ARG 106          HG2       ARG 106  -4.251  -2.789  -1.597
  777   1HD   ARG 106          HD2       ARG 106  -2.408  -1.269  -1.825
  778   2HD   ARG 106          HD1       ARG 106  -2.088  -2.334  -0.404
  779    HE   ARG 106           HE       ARG 106  -0.852  -2.611  -3.190
  780   1HH1  ARG 106          HH11      ARG 106  -0.516  -3.067   0.344
  781   2HH1  ARG 106          HH12      ARG 106   1.202  -3.285   0.271
  782   1HH2  ARG 106          HH21      ARG 106   1.432  -2.874  -3.251
  783   2HH2  ARG 106          HH22      ARG 106   2.320  -3.178  -1.794
  784    H    MET 107           HN       MET 107  -3.361  -7.851  -1.275
  785    HA   MET 107           HA       MET 107  -1.685  -7.938   0.966
  786   1HB   MET 107          HB2       MET 107  -3.203  -9.384   1.840
  787   2HB   MET 107          HB1       MET 107  -4.118  -8.506   0.615
  788   1HG   MET 107          HG2       MET 107  -3.928 -10.191  -1.100
  789   2HG   MET 107          HG1       MET 107  -2.908 -11.246  -0.085
  790   1HE   MET 107          HE1       MET 107  -3.601 -12.336   2.092
  791   2HE   MET 107          HE2       MET 107  -5.263 -12.458   2.760
  792   3HE   MET 107          HE3       MET 107  -4.367 -10.914   2.890
  793    H    ALA 108           HN       ALA 108  -0.952  -9.257  -2.219
  794    HA   ALA 108           HA       ALA 108   1.238 -10.755  -0.919
  795   1HB   ALA 108          HB1       ALA 108   0.306 -11.000  -3.853
  796   2HB   ALA 108          HB2       ALA 108  -0.206 -12.142  -2.571
  797   3HB   ALA 108          HB3       ALA 108   1.520 -12.039  -3.105
  798    H    VAL 109           HN       VAL 109   1.095  -7.841  -1.612
  799    HA   VAL 109           HA       VAL 109   3.781  -7.567  -2.542
  800    HB   VAL 109           HB       VAL 109   2.485  -5.189  -3.462
  801   1HG1  VAL 109          HG11      VAL 109   3.848  -7.525  -4.903
  802   2HG1  VAL 109          HG12      VAL 109   4.666  -6.123  -4.129
  803   3HG1  VAL 109          HG13      VAL 109   3.560  -5.853  -5.532
  804   1HG2  VAL 109          HG21      VAL 109   1.179  -7.744  -4.620
  805   2HG2  VAL 109          HG22      VAL 109   1.027  -6.062  -5.231
  806   3HG2  VAL 109          HG23      VAL 109   0.346  -6.491  -3.618
  807    H    ILE 110           HN       ILE 110   4.820  -6.665  -0.924
  808    HA   ILE 110           HA       ILE 110   3.427  -4.512   0.593
  809    HB   ILE 110           HB       ILE 110   4.456  -5.003   2.558
  810   1HG1  ILE 110          HG11      ILE 110   6.494  -6.255   2.105
  811   2HG1  ILE 110          HG12      ILE 110   5.394  -7.186   3.135
  812   1HG2  ILE 110          HG21      ILE 110   2.779  -7.380   1.588
  813   2HG2  ILE 110          HG22      ILE 110   2.161  -5.785   2.158
  814   3HG2  ILE 110          HG23      ILE 110   3.023  -6.888   3.300
  815   1HD1  ILE 110          HD11      ILE 110   4.694  -8.640   1.237
  816   2HD1  ILE 110          HD12      ILE 110   6.447  -8.755   1.644
  817   3HD1  ILE 110          HD13      ILE 110   5.917  -7.828   0.213
  818    H    LEU 111           HN       LEU 111   5.308  -3.299   2.106
  819    HA   LEU 111           HA       LEU 111   7.672  -2.830   0.433
  820   1HB   LEU 111          HB2       LEU 111   7.106  -0.228   0.636
  821   2HB   LEU 111          HB1       LEU 111   6.513  -1.217  -0.686
  822    HG   LEU 111           HG       LEU 111   4.292  -1.241  -0.013
  823   1HD1  LEU 111          HD11      LEU 111   4.264  -1.801   2.405
  824   2HD1  LEU 111          HD12      LEU 111   3.568  -0.180   2.258
  825   3HD1  LEU 111          HD13      LEU 111   5.272  -0.358   2.744
  826   1HD2  LEU 111          HD21      LEU 111   5.527   0.805  -0.669
  827   2HD2  LEU 111          HD22      LEU 111   5.400   1.483   1.017
  828   3HD2  LEU 111          HD23      LEU 111   3.890   1.201   0.072
  829    H    SER 112           HN       SER 112   9.402  -1.701   1.349
  830    HA   SER 112           HA       SER 112   9.733  -1.889   4.184
  831   1HB   SER 112          HB2       SER 112  12.178  -1.409   3.336
  832   2HB   SER 112          HB1       SER 112  11.366  -2.920   2.822
  833    HG   SER 112           HG       SER 112  12.153  -2.054   0.932
  834    H    LEU 113           HN       LEU 113  10.981   0.090   5.414
  835    HA   LEU 113           HA       LEU 113   9.555   2.451   4.683
  836   1HB   LEU 113          HB1       LEU 113  11.583   3.529   6.389
  837   2HB   LEU 113          HB2       LEU 113   9.836   3.793   6.186
  838    HG   LEU 113           HG       LEU 113  10.374   3.204   8.435
  839   1HD1  LEU 113          HD11      LEU 113   8.289   2.229   7.918
  840   2HD1  LEU 113          HD12      LEU 113   9.179   1.025   8.909
  841   3HD1  LEU 113          HD13      LEU 113   9.056   0.770   7.129
  842   1HD2  LEU 113          HD21      LEU 113  11.414   1.070   9.159
  843   2HD2  LEU 113          HD22      LEU 113  12.557   2.186   8.229
  844   3HD2  LEU 113          HD23      LEU 113  11.848   0.729   7.435
  845    H    GLU 114           HN       GLU 114  13.030   1.756   3.755
  846    HA   GLU 114           HA       GLU 114  12.909   4.483   2.646
  847   1HB   GLU 114          HB2       GLU 114  15.187   3.002   3.339
  848   2HB   GLU 114          HB1       GLU 114  15.318   3.647   1.665
  849   1HG   GLU 114          HG1       GLU 114  14.407   5.916   2.511
  850   2HG   GLU 114          HG2       GLU 114  14.432   5.191   4.190
  851    H    GLN 115           HN       GLN 115  11.740   1.613   1.347
  852    HA   GLN 115           HA       GLN 115  11.632   2.907  -1.296
  853   1HB   GLN 115          HB2       GLN 115  10.479   0.213  -0.537
  854   2HB   GLN 115          HB1       GLN 115  10.688   0.965  -2.205
  855   1HG   GLN 115          HG2       GLN 115  13.226   1.211  -1.589
  856   2HG   GLN 115          HG1       GLN 115  12.916   0.086  -0.226
  857   1HE2  GLN 115          HE21      GLN 115  12.207   0.194  -3.844
  858   2HE2  GLN 115          HE22      GLN 115  12.975  -1.346  -4.065
  859    H    GLY 116           HN       GLY 116   9.874   2.796   1.612
  860   1HA   GLY 116          HA2       GLY 116   7.360   3.828   0.630
  861   2HA   GLY 116          HA1       GLY 116   7.846   3.342   2.245
  862    H    ASN 117           HN       ASN 117   9.964   4.977   2.840
  863    HA   ASN 117           HA       ASN 117   8.729   7.506   3.338
  864   1HB   ASN 117          HB2       ASN 117  11.489   6.383   4.082
  865   2HB   ASN 117          HB1       ASN 117  10.925   8.041   4.558
  866   1HD2  ASN 117          HD21      ASN 117  11.502   6.376   6.614
  867   2HD2  ASN 117          HD22      ASN 117   9.965   6.018   7.412
  868    H    ARG 118           HN       ARG 118  10.567   6.349   0.794
  869    HA   ARG 118           HA       ARG 118  11.823   8.708  -0.070
  870   1HB   ARG 118          HB2       ARG 118  12.231   7.487  -2.149
  871   2HB   ARG 118          HB1       ARG 118  12.540   6.473  -0.721
  872   1HG   ARG 118          HG2       ARG 118  11.271   4.930  -1.601
  873   2HG   ARG 118          HG1       ARG 118   9.781   5.917  -1.290
  874   1HD   ARG 118          HD2       ARG 118   9.487   6.324  -3.550
  875   2HD   ARG 118          HD1       ARG 118  11.224   6.682  -3.848
  876    HE   ARG 118           HE       ARG 118   9.835   4.083  -4.178
  877   1HH1  ARG 118          HH11      ARG 118  13.028   5.627  -3.677
  878   2HH1  ARG 118          HH12      ARG 118  13.917   4.299  -4.347
  879   1HH2  ARG 118          HH21      ARG 118  11.065   2.318  -5.071
  880   2HH2  ARG 118          HH22      ARG 118  12.793   2.406  -5.143
  881    H    LEU 119           HN       LEU 119   8.639   7.332  -0.140
  882    HA   LEU 119           HA       LEU 119   7.303   8.862  -2.286
  883   1HB   LEU 119          HB1       LEU 119   6.734   6.311  -1.857
  884   2HB   LEU 119          HB2       LEU 119   6.064   6.703  -0.364
  885    HG   LEU 119           HG       LEU 119   5.223   8.280  -2.811
  886   1HD1  LEU 119          HD21      LEU 119   5.401   5.593  -3.127
  887   2HD1  LEU 119          HD22      LEU 119   3.931   6.468  -3.745
  888   3HD1  LEU 119          HD23      LEU 119   3.898   5.634  -2.143
  889   1HD2  LEU 119          HD11      LEU 119   2.845   7.576  -1.984
  890   2HD2  LEU 119          HD12      LEU 119   3.760   8.685  -0.813
  891   3HD2  LEU 119          HD13      LEU 119   3.618   6.903  -0.515
  892    H    ARG 120           HN       ARG 120   7.449   8.534   1.239
  893    HA   ARG 120           HA       ARG 120   5.169   9.594   1.700
  894   1HB   ARG 120          HB1       ARG 120   5.924   9.782   4.110
  895   2HB   ARG 120          HB2       ARG 120   7.049   8.544   3.483
  896   1HG   ARG 120          HG1       ARG 120   8.759  10.512   3.298
  897   2HG   ARG 120          HG2       ARG 120   7.545  11.574   4.075
  898   1HD   ARG 120          HD2       ARG 120   8.642   8.984   5.320
  899   2HD   ARG 120          HD1       ARG 120   9.173  10.671   5.736
  900    HE   ARG 120           HE       ARG 120   6.532  10.965   6.154
  901   1HH1  ARG 120          HH11      ARG 120   8.573   8.193   7.142
  902   2HH1  ARG 120          HH12      ARG 120   7.593   7.808   8.519
  903   1HH2  ARG 120          HH21      ARG 120   5.246  10.421   7.997
  904   2HH2  ARG 120          HH22      ARG 120   5.684   9.085   9.008
  905    H    GLU 121           HN       GLU 121   7.767  11.670   0.993
  906    HA   GLU 121           HA       GLU 121   6.429  14.155   1.714
  907   1HB   GLU 121          HB2       GLU 121   8.630  15.175   1.064
  908   2HB   GLU 121          HB1       GLU 121   8.741  13.952   2.365
  909   1HG   GLU 121          HG1       GLU 121   9.541  12.211   0.758
  910   2HG   GLU 121          HG2       GLU 121   9.461  13.402  -0.594
  911    H    GLN 122           HN       GLN 122   6.702  12.080  -1.118
  912    HA   GLN 122           HA       GLN 122   6.059  14.338  -2.903
  913   1HB   GLN 122          HB2       GLN 122   6.709  12.915  -4.811
  914   2HB   GLN 122          HB1       GLN 122   8.043  13.397  -3.720
  915   1HG   GLN 122          HG1       GLN 122   8.203  11.164  -2.765
  916   2HG   GLN 122          HG2       GLN 122   6.764  10.563  -3.672
  917   1HE2  GLN 122          HE21      GLN 122   9.718   9.743  -3.670
  918   2HE2  GLN 122          HE22      GLN 122  10.073   9.673  -5.404
  919    H    TYR 123           HN       TYR 123   4.867  10.968  -1.945
  920    HA   TYR 123           HA       TYR 123   2.394  11.824  -3.495
  921   1HB   TYR 123          HB2       TYR 123   3.605   9.039  -3.465
  922   2HB   TYR 123          HB1       TYR 123   2.173   9.497  -4.372
  923    HD1  TYR 123           HD1      TYR 123   5.190   8.422  -4.939
  924    HD2  TYR 123           HD2      TYR 123   2.985  11.989  -5.731
  925    HE1  TYR 123           HE1      TYR 123   6.691   8.932  -6.797
  926    HE2  TYR 123           HE2      TYR 123   4.524  12.525  -7.557
  927    HH   TYR 123           HH       TYR 123   7.489  11.280  -7.565
  928    H    GLY 124           HN       GLY 124   2.947  10.984   0.033
  929   1HA   GLY 124          HA2       GLY 124   0.340  10.579   0.326
  930   2HA   GLY 124          HA1       GLY 124   0.870   8.947  -0.218
  931    H    LEU 125           HN       LEU 125   3.314   8.597   1.135
  932    HA   LEU 125           HA       LEU 125   2.388   7.915   3.573
  933   1HB   LEU 125          HB2       LEU 125   4.738   7.233   2.088
  934   2HB   LEU 125          HB1       LEU 125   5.243   7.731   3.771
  935    HG   LEU 125           HG       LEU 125   5.142   5.564   3.900
  936   1HD1  LEU 125          HD11      LEU 125   3.025   4.918   5.151
  937   2HD1  LEU 125          HD12      LEU 125   2.446   6.602   4.997
  938   3HD1  LEU 125          HD13      LEU 125   3.971   6.304   5.798
  939   1HD2  LEU 125          HD21      LEU 125   3.453   4.119   2.715
  940   2HD2  LEU 125          HD22      LEU 125   4.510   5.078   1.631
  941   3HD2  LEU 125          HD23      LEU 125   2.820   5.615   1.925
  942    H    GLY 126           HN       GLY 126   2.609  10.991   3.315
  943   1HA   GLY 126          HA2       GLY 126   2.479  11.271   6.256
  944   2HA   GLY 126          HA1       GLY 126   3.813  12.172   5.463
  945    HA   PRO 127           HA       PRO 127   0.076  14.810   4.420
  946   1HB   PRO 127          HB2       PRO 127  -2.482  14.248   5.123
  947   2HB   PRO 127          HB1       PRO 127  -1.631  13.127   3.994
  948   1HG   PRO 127          HG2       PRO 127  -1.918  12.830   7.050
  949   2HG   PRO 127          HG1       PRO 127  -2.398  11.648   5.813
  950   1HD   PRO 127          HD1       PRO 127   0.175  11.636   7.025
  951   2HD   PRO 127          HD2       PRO 127  -0.115  11.050   5.319
  952    H    TYR 128           HN       TYR 128   1.391  14.431   7.393
  953    HA   TYR 128           HA       TYR 128  -0.402  16.280   8.844
  954   1HB   TYR 128          HB2       TYR 128   0.541  15.512  10.925
  955   2HB   TYR 128          HB1       TYR 128  -0.090  14.143   9.958
  956    HD1  TYR 128           HD1      TYR 128   1.662  12.773   8.571
  957    HD2  TYR 128           HD2      TYR 128   2.671  15.348  11.819
  958    HE1  TYR 128           HE1      TYR 128   3.818  11.663   8.779
  959    HE2  TYR 128           HE2      TYR 128   4.809  14.164  12.085
  960    HH   TYR 128           HH       TYR 128   5.825  11.632   9.836
  961    H    GLU 129           HN       GLU 129   0.044  18.374   8.942
  962    HA   GLU 129           HA       GLU 129   2.793  19.342   8.520
  963   1HB   GLU 129          HB1       GLU 129   1.787  21.439   7.772
  964   2HB   GLU 129          HB2       GLU 129   1.239  20.055   6.793
  965   1HG   GLU 129          HG2       GLU 129  -0.449  21.352   9.050
  966   2HG   GLU 129          HG1       GLU 129  -0.519  21.808   7.318
  Start of MODEL    7
    1    H    ASN   7           HN       ASN   7 -15.462  13.796  -1.322
    2    HA   ASN   7           HA       ASN   7 -16.068  13.173  -3.977
    3   1HB   ASN   7          HB2       ASN   7 -16.446  15.716  -4.125
    4   2HB   ASN   7          HB1       ASN   7 -17.321  14.894  -2.793
    5   1HD2  ASN   7          HD21      ASN   7 -15.289  17.520  -3.490
    6   2HD2  ASN   7          HD22      ASN   7 -14.874  17.895  -1.794
    7    H    SER   8           HN       SER   8 -13.256  12.876  -2.784
    8    HA   SER   8           HA       SER   8 -11.786  13.902  -5.130
    9   1HB   SER   8          HB2       SER   8  -9.858  14.650  -3.737
   10   2HB   SER   8          HB1       SER   8 -11.363  15.563  -3.415
   11    HG   SER   8           HG       SER   8 -10.953  15.084  -1.431
   12    H    PHE   9           HN       PHE   9  -9.998  12.515  -2.620
   13    HA   PHE   9           HA       PHE   9  -9.870   9.794  -3.895
   14   1HB   PHE   9          HB1       PHE   9  -7.481   9.689  -3.825
   15   2HB   PHE   9          HB2       PHE   9  -8.029  10.943  -4.971
   16    HD1  PHE   9           HD1      PHE   9  -7.721  13.361  -4.398
   17    HD2  PHE   9           HD2      PHE   9  -6.254  10.190  -1.972
   18    HE1  PHE   9           HE1      PHE   9  -6.037  14.886  -3.459
   19    HE2  PHE   9           HE2      PHE   9  -4.452  11.662  -1.148
   20    HZ   PHE   9           HZ       PHE   9  -4.346  14.021  -1.866
   21    H    VAL  10           HN       VAL  10 -11.426  10.684  -1.761
   22    HA   VAL  10           HA       VAL  10 -10.291   9.177   0.404
   23    HB   VAL  10           HB       VAL  10 -12.004   9.682   1.704
   24   1HG1  VAL  10          HG11      VAL  10 -11.994  11.841  -0.481
   25   2HG1  VAL  10          HG12      VAL  10 -10.606  11.542   0.628
   26   3HG1  VAL  10          HG13      VAL  10 -12.206  12.112   1.289
   27   1HG2  VAL  10          HG21      VAL  10 -13.784  10.117  -0.790
   28   2HG2  VAL  10          HG22      VAL  10 -14.232  10.542   0.912
   29   3HG2  VAL  10          HG23      VAL  10 -13.982   8.820   0.468
   30    H    GLY  11           HN       GLY  11 -10.997   7.824  -2.361
   31   1HA   GLY  11          HA2       GLY  11 -11.774   5.192  -1.272
   32   2HA   GLY  11          HA1       GLY  11 -12.398   5.884  -2.888
   33    H    LEU  12           HN       LEU  12  -9.232   6.559  -1.752
   34    HA   LEU  12           HA       LEU  12  -7.891   5.295  -3.953
   35   1HB   LEU  12          HB1       LEU  12  -7.564   7.571  -3.877
   36   2HB   LEU  12          HB2       LEU  12  -7.189   7.551  -2.120
   37    HG   LEU  12           HG       LEU  12  -5.017   6.437  -4.088
   38   1HD1  LEU  12          HD21      LEU  12  -3.904   8.383  -4.063
   39   2HD1  LEU  12          HD22      LEU  12  -4.785   9.083  -2.704
   40   3HD1  LEU  12          HD23      LEU  12  -5.544   9.050  -4.371
   41   1HD2  LEU  12          HD11      LEU  12  -5.743   6.529  -1.273
   42   2HD2  LEU  12          HD12      LEU  12  -4.245   7.467  -1.760
   43   3HD2  LEU  12          HD13      LEU  12  -4.434   5.705  -2.107
   44    H    ARG  13           HN       ARG  13  -5.505   4.599  -3.168
   45    HA   ARG  13           HA       ARG  13  -6.204   1.916  -2.119
   46   1HB   ARG  13          HB2       ARG  13  -3.916   2.702  -4.011
   47   2HB   ARG  13          HB1       ARG  13  -4.449   1.032  -3.608
   48   1HG   ARG  13          HG1       ARG  13  -6.096   3.105  -5.214
   49   2HG   ARG  13          HG2       ARG  13  -5.092   1.780  -5.866
   50   1HD   ARG  13          HD2       ARG  13  -7.361   1.014  -5.993
   51   2HD   ARG  13          HD1       ARG  13  -6.593   0.104  -4.625
   52    HE   ARG  13           HE       ARG  13  -7.914   2.581  -3.743
   53   1HH1  ARG  13          HH11      ARG  13  -8.625  -0.811  -4.630
   54   2HH1  ARG  13          HH12      ARG  13 -10.035  -0.905  -3.626
   55   1HH2  ARG  13          HH21      ARG  13  -9.796   2.421  -2.411
   56   2HH2  ARG  13          HH22      ARG  13 -10.704   0.947  -2.351
   57    H    VAL  14           HN       VAL  14  -4.866   0.862  -0.404
   58    HA   VAL  14           HA       VAL  14  -3.070   2.901   0.843
   59    HB   VAL  14           HB       VAL  14  -5.588   1.563   1.688
   60   1HG1  VAL  14          HG11      VAL  14  -4.117   1.165   3.716
   61   2HG1  VAL  14          HG12      VAL  14  -5.436   2.356   3.988
   62   3HG1  VAL  14          HG13      VAL  14  -3.746   2.897   3.759
   63   1HG2  VAL  14          HG21      VAL  14  -5.826   4.052   2.463
   64   2HG2  VAL  14          HG22      VAL  14  -6.231   3.460   0.809
   65   3HG2  VAL  14          HG23      VAL  14  -4.679   4.260   1.112
   66    H    VAL  15           HN       VAL  15  -1.887   2.368   2.640
   67    HA   VAL  15           HA       VAL  15  -0.803  -0.361   2.762
   68    HB   VAL  15           HB       VAL  15   1.444   0.548   3.207
   69   1HG1  VAL  15          HG21      VAL  15   1.869   0.859   0.738
   70   2HG1  VAL  15          HG22      VAL  15   0.101   1.055   0.483
   71   3HG1  VAL  15          HG23      VAL  15   0.744  -0.511   1.133
   72   1HG2  VAL  15          HG11      VAL  15   1.915   2.880   2.396
   73   2HG2  VAL  15          HG12      VAL  15   0.923   2.870   3.881
   74   3HG2  VAL  15          HG13      VAL  15   0.151   3.220   2.298
   75    H    ALA  16           HN       ALA  16  -0.201  -1.024   4.712
   76    HA   ALA  16           HA       ALA  16  -1.382   0.409   7.001
   77   1HB   ALA  16          HB1       ALA  16  -2.345  -1.934   7.460
   78   2HB   ALA  16          HB2       ALA  16  -1.566  -2.531   5.943
   79   3HB   ALA  16          HB3       ALA  16  -2.827  -1.336   5.825
   80    H    LYS  17           HN       LYS  17   0.224   1.036   8.185
   81    HA   LYS  17           HA       LYS  17   2.245  -0.826   9.215
   82   1HB   LYS  17          HB2       LYS  17   3.438   1.733   9.170
   83   2HB   LYS  17          HB1       LYS  17   3.789   0.380   8.052
   84   1HG   LYS  17          HG1       LYS  17   2.985   1.670   6.191
   85   2HG   LYS  17          HG2       LYS  17   1.556   2.051   7.055
   86   1HD   LYS  17          HD1       LYS  17   2.470   4.132   6.763
   87   2HD   LYS  17          HD2       LYS  17   2.870   3.751   8.473
   88   1HE   LYS  17          HE2       LYS  17   5.225   3.104   7.735
   89   2HE   LYS  17          HE1       LYS  17   4.753   3.598   6.050
   90   1HZ   LYS  17          HZ1       LYS  17   4.774   5.364   8.427
   91   2HZ   LYS  17          HZ2       LYS  17   4.355   5.802   6.841
   92   3HZ   LYS  17          HZ3       LYS  17   5.942   5.310   7.194
   93    H    TRP  18           HN       TRP  18   1.722  -0.896  11.564
   94    HA   TRP  18           HA       TRP  18   0.212   1.391  12.623
   95   1HB   TRP  18          HB2       TRP  18   0.892  -1.291  13.871
   96   2HB   TRP  18          HB1       TRP  18   0.061   0.030  14.732
   97    HD1  TRP  18           HD1      TRP  18  -0.834  -2.787  12.221
   98    HE1  TRP  18           HE1      TRP  18  -3.445  -2.714  12.112
   99    HE3  TRP  18           HE3      TRP  18  -1.550   1.785  14.330
  100    HZ2  TRP  18           HZ2      TRP  18  -5.465  -1.053  13.114
  101    HZ3  TRP  18           HZ3      TRP  18  -3.774   2.396  15.009
  102    HH2  TRP  18           HH2      TRP  18  -5.737   1.014  14.424
  103    H    SER  19           HN       SER  19   3.492   0.176  13.147
  104    HA   SER  19           HA       SER  19   4.241   2.710  14.464
  105   1HB   SER  19          HB2       SER  19   5.377  -0.111  15.170
  106   2HB   SER  19          HB1       SER  19   5.965   1.466  15.828
  107    HG   SER  19           HG       SER  19   3.403   1.403  16.281
  108    H    SER  20           HN       SER  20   6.532   3.361  13.514
  109    HA   SER  20           HA       SER  20   6.889   2.083  10.932
  110   1HB   SER  20          HB1       SER  20   8.892   3.557  10.718
  111   2HB   SER  20          HB2       SER  20   7.382   4.432  11.129
  112    HG   SER  20           HG       SER  20   9.262   3.600  13.094
  113    H    ASN  21           HN       ASN  21   7.418   0.166  10.869
  114    HA   ASN  21           HA       ASN  21   9.195  -1.297  12.638
  115   1HB   ASN  21          HB2       ASN  21   6.668  -1.770  12.173
  116   2HB   ASN  21          HB1       ASN  21   7.054  -1.804  10.430
  117   1HD2  ASN  21          HD21      ASN  21   8.133  -3.708  13.417
  118   2HD2  ASN  21          HD22      ASN  21   8.078  -5.233  12.548
  119    H    GLY  22           HN       GLY  22   8.934  -0.196   9.482
  120   1HA   GLY  22          HA2       GLY  22  10.699  -0.002   8.050
  121   2HA   GLY  22          HA1       GLY  22  11.327  -1.609   8.503
  122    H    TYR  23           HN       TYR  23   8.241  -2.465   8.307
  123    HA   TYR  23           HA       TYR  23   7.743  -1.907   5.568
  124   1HB   TYR  23          HB2       TYR  23   7.163  -4.427   5.020
  125   2HB   TYR  23          HB1       TYR  23   8.700  -3.539   4.706
  126    HD1  TYR  23           HD1      TYR  23  10.351  -5.204   4.868
  127    HD2  TYR  23           HD2      TYR  23   7.361  -5.083   7.897
  128    HE1  TYR  23           HE1      TYR  23  11.596  -6.864   6.160
  129    HE2  TYR  23           HE2      TYR  23   8.615  -6.709   9.212
  130    HH   TYR  23           HH       TYR  23  11.452  -8.349   8.043
  131    H    PHE  24           HN       PHE  24   5.791  -2.077   4.641
  132    HA   PHE  24           HA       PHE  24   3.561  -1.940   6.573
  133   1HB   PHE  24          HB1       PHE  24   2.996  -0.691   3.912
  134   2HB   PHE  24          HB2       PHE  24   2.613  -0.166   5.539
  135    HD1  PHE  24           HD1      PHE  24   3.729   1.680   2.947
  136    HD2  PHE  24           HD2      PHE  24   5.364   0.109   6.657
  137    HE1  PHE  24           HE1      PHE  24   5.400   3.249   2.971
  138    HE2  PHE  24           HE2      PHE  24   7.213   1.514   6.410
  139    HZ   PHE  24           HZ       PHE  24   7.358   3.073   4.570
  140    H    TYR  25           HN       TYR  25   1.789  -2.900   6.046
  141    HA   TYR  25           HA       TYR  25   1.623  -5.023   4.069
  142   1HB   TYR  25          HB2       TYR  25  -0.123  -4.538   6.611
  143   2HB   TYR  25          HB1       TYR  25   0.087  -6.095   5.708
  144    HD1  TYR  25           HD1      TYR  25   2.625  -6.955   5.618
  145    HD2  TYR  25           HD2      TYR  25   1.175  -4.148   8.485
  146    HE1  TYR  25           HE1      TYR  25   4.648  -7.260   6.963
  147    HE2  TYR  25           HE2      TYR  25   3.222  -4.427   9.797
  148    HH   TYR  25           HH       TYR  25   5.597  -5.136   9.472
  149    H    SER  26           HN       SER  26  -1.081  -5.194   3.771
  150    HA   SER  26           HA       SER  26  -1.726  -2.829   2.224
  151   1HB   SER  26          HB2       SER  26  -3.405  -4.480   1.305
  152   2HB   SER  26          HB1       SER  26  -1.651  -4.955   1.111
  153    HG   SER  26           HG       SER  26  -3.383  -5.862   3.207
  154    H    GLY  27           HN       GLY  27  -3.505  -1.568   2.276
  155   1HA   GLY  27          HA2       GLY  27  -5.863  -2.137   3.850
  156   2HA   GLY  27          HA1       GLY  27  -4.982  -0.597   4.090
  157    H    LYS  28           HN       LYS  28  -7.747  -0.461   3.196
  158    HA   LYS  28           HA       LYS  28  -7.290   0.742   0.526
  159   1HB   LYS  28          HB2       LYS  28  -9.484   0.152  -0.327
  160   2HB   LYS  28          HB1       LYS  28  -8.524  -1.311   0.029
  161   1HG   LYS  28          HG2       LYS  28  -9.799  -1.653   2.143
  162   2HG   LYS  28          HG1       LYS  28 -10.769  -0.176   1.817
  163   1HD   LYS  28          HD1       LYS  28 -12.106  -2.059   1.207
  164   2HD   LYS  28          HD2       LYS  28 -11.577  -1.309  -0.346
  165   1HE   LYS  28          HE2       LYS  28  -9.770  -3.145  -0.489
  166   2HE   LYS  28          HE1       LYS  28 -10.423  -3.820   1.061
  167   1HZ   LYS  28          HZ1       LYS  28 -11.925  -3.513  -1.485
  168   2HZ   LYS  28          HZ2       LYS  28 -12.526  -4.157  -0.033
  169   3HZ   LYS  28          HZ3       LYS  28 -11.276  -4.953  -0.862
  170    H    ILE  29           HN       ILE  29  -8.331   3.251   0.423
  171    HA   ILE  29           HA       ILE  29  -9.256   3.788   3.174
  172    HB   ILE  29           HB       ILE  29  -7.426   5.026   1.624
  173   1HG1  ILE  29          HG11      ILE  29  -7.736   6.933   3.321
  174   2HG1  ILE  29          HG12      ILE  29  -9.144   6.023   3.963
  175   1HG2  ILE  29          HG21      ILE  29  -8.109   7.163   0.916
  176   2HG2  ILE  29          HG22      ILE  29  -9.779   6.941   1.549
  177   3HG2  ILE  29          HG23      ILE  29  -9.202   5.981   0.116
  178   1HD1  ILE  29          HD11      ILE  29  -7.395   3.975   4.135
  179   2HD1  ILE  29          HD12      ILE  29  -7.289   5.298   5.344
  180   3HD1  ILE  29          HD13      ILE  29  -6.166   5.276   3.975
  181    H    THR  30           HN       THR  30 -11.300   4.544   3.798
  182    HA   THR  30           HA       THR  30 -13.291   4.592   1.584
  183    HB   THR  30           HB       THR  30 -14.920   3.925   3.517
  184    HG1  THR  30           HG1      THR  30 -13.037   2.300   4.459
  185   1HG2  THR  30          HG21      THR  30 -14.522   1.551   2.948
  186   2HG2  THR  30          HG22      THR  30 -12.866   1.937   2.321
  187   3HG2  THR  30          HG23      THR  30 -14.318   2.564   1.475
  188    H    ARG  31           HN       ARG  31 -12.148   6.422   4.519
  189    HA   ARG  31           HA       ARG  31 -13.542   8.732   3.460
  190   1HB   ARG  31          HB1       ARG  31 -14.309   7.303   6.081
  191   2HB   ARG  31          HB2       ARG  31 -14.343   9.101   6.040
  192   1HG   ARG  31          HG2       ARG  31 -16.004   8.855   4.048
  193   2HG   ARG  31          HG1       ARG  31 -16.083   7.124   4.526
  194   1HD   ARG  31          HD1       ARG  31 -17.856   8.194   5.810
  195   2HD   ARG  31          HD2       ARG  31 -16.458   7.988   6.975
  196    HE   ARG  31           HE       ARG  31 -16.462  10.566   5.509
  197   1HH1  ARG  31          HH11      ARG  31 -17.688   8.873   8.413
  198   2HH1  ARG  31          HH12      ARG  31 -17.907  10.330   9.325
  199   1HH2  ARG  31          HH21      ARG  31 -16.768  12.501   6.753
  200   2HH2  ARG  31          HH22      ARG  31 -17.378  12.413   8.372
  201    H    ASP  32           HN       ASP  32 -12.821  10.641   4.976
  202    HA   ASP  32           HA       ASP  32 -10.103  10.157   6.025
  203   1HB   ASP  32          HB2       ASP  32  -9.715  12.581   5.882
  204   2HB   ASP  32          HB1       ASP  32 -10.026  11.821   4.290
  205    H    VAL  33           HN       VAL  33  -9.561  10.989   8.230
  206    HA   VAL  33           HA       VAL  33 -11.923  11.880   9.791
  207    HB   VAL  33           HB       VAL  33 -10.699  10.744  11.847
  208   1HG1  VAL  33          HG21      VAL  33 -12.439   8.968  11.665
  209   2HG1  VAL  33          HG22      VAL  33 -12.646   9.326   9.912
  210   3HG1  VAL  33          HG23      VAL  33 -13.083  10.566  11.139
  211   1HG2  VAL  33          HG11      VAL  33  -9.044   9.440   9.991
  212   2HG2  VAL  33          HG12      VAL  33 -10.400   8.278  10.121
  213   3HG2  VAL  33          HG13      VAL  33  -9.436   8.729  11.514
  214    H    GLY  34           HN       GLY  34 -11.517  13.873  10.449
  215   1HA   GLY  34          HA2       GLY  34 -10.537  15.865  10.598
  216   2HA   GLY  34          HA1       GLY  34  -9.285  14.987  11.542
  217    H    ALA  35           HN       ALA  35  -7.586  16.344  11.006
  218    HA   ALA  35           HA       ALA  35  -6.509  16.180   8.245
  219   1HB   ALA  35          HB1       ALA  35  -5.846  18.154  10.552
  220   2HB   ALA  35          HB2       ALA  35  -6.856  18.567   9.120
  221   3HB   ALA  35          HB3       ALA  35  -5.121  18.155   8.900
  222    H    GLY  36           HN       GLY  36  -4.978  14.721   7.972
  223   1HA   GLY  36          HA2       GLY  36  -2.985  13.702   8.469
  224   2HA   GLY  36          HA1       GLY  36  -3.181  14.037  10.218
  225    H    LYS  37           HN       LYS  37  -6.140  12.762   9.277
  226    HA   LYS  37           HA       LYS  37  -5.302   9.975   9.566
  227   1HB   LYS  37          HB2       LYS  37  -7.656  10.223  11.156
  228   2HB   LYS  37          HB1       LYS  37  -6.040   9.754  11.682
  229   1HG   LYS  37          HG1       LYS  37  -5.548  12.053  12.361
  230   2HG   LYS  37          HG2       LYS  37  -6.979  12.689  11.482
  231   1HD   LYS  37          HD1       LYS  37  -8.497  11.330  12.952
  232   2HD   LYS  37          HD2       LYS  37  -7.063  10.821  13.915
  233   1HE   LYS  37          HE2       LYS  37  -6.589  13.214  14.500
  234   2HE   LYS  37          HE1       LYS  37  -7.998  13.748  13.495
  235   1HZ   LYS  37          HZ1       LYS  37  -8.543  13.617  15.816
  236   2HZ   LYS  37          HZ2       LYS  37  -8.116  11.975  15.880
  237   3HZ   LYS  37          HZ3       LYS  37  -9.436  12.473  14.935
  238    H    TYR  38           HN       TYR  38  -6.921   8.366   9.230
  239    HA   TYR  38           HA       TYR  38  -8.897   9.023   7.189
  240   1HB   TYR  38          HB1       TYR  38  -6.695   6.885   6.871
  241   2HB   TYR  38          HB2       TYR  38  -8.071   7.176   5.750
  242    HD1  TYR  38           HD1      TYR  38  -8.255   9.721   4.954
  243    HD2  TYR  38           HD2      TYR  38  -4.771   8.000   6.599
  244    HE1  TYR  38           HE1      TYR  38  -6.921  11.535   3.997
  245    HE2  TYR  38           HE2      TYR  38  -3.308   9.580   5.278
  246    HH   TYR  38           HH       TYR  38  -3.485  11.442   3.765
  247    H    LYS  39           HN       LYS  39 -10.523   7.346   6.829
  248    HA   LYS  39           HA       LYS  39 -10.906   5.308   8.973
  249   1HB   LYS  39          HB1       LYS  39 -12.727   7.148   8.883
  250   2HB   LYS  39          HB2       LYS  39 -12.912   6.733   7.154
  251   1HG   LYS  39          HG1       LYS  39 -13.275   4.227   8.091
  252   2HG   LYS  39          HG2       LYS  39 -13.593   5.073   9.636
  253   1HD   LYS  39          HD2       LYS  39 -15.748   4.941   8.829
  254   2HD   LYS  39          HD1       LYS  39 -15.298   6.433   7.934
  255   1HE   LYS  39          HE2       LYS  39 -14.622   4.981   5.956
  256   2HE   LYS  39          HE1       LYS  39 -15.055   3.493   6.893
  257   1HZ   LYS  39          HZ1       LYS  39 -17.326   4.314   7.005
  258   2HZ   LYS  39          HZ2       LYS  39 -16.799   4.163   5.398
  259   3HZ   LYS  39          HZ3       LYS  39 -16.907   5.698   6.114
  260    H    LEU  40           HN       LEU  40 -10.385   3.553   8.397
  261    HA   LEU  40           HA       LEU  40 -10.197   3.044   5.427
  262   1HB   LEU  40          HB1       LEU  40  -7.885   2.504   5.666
  263   2HB   LEU  40          HB2       LEU  40  -8.132   3.999   6.619
  264    HG   LEU  40           HG       LEU  40  -6.786   2.898   7.944
  265   1HD1  LEU  40          HD11      LEU  40  -9.304   1.903   9.180
  266   2HD1  LEU  40          HD12      LEU  40  -8.665   3.633   9.255
  267   3HD1  LEU  40          HD13      LEU  40  -7.749   2.259  10.010
  268   1HD2  LEU  40          HD21      LEU  40  -6.519   0.517   8.315
  269   2HD2  LEU  40          HD22      LEU  40  -6.953   0.648   6.534
  270   3HD2  LEU  40          HD23      LEU  40  -8.173   0.152   7.727
  271    H    LEU  41           HN       LEU  41 -10.032   0.823   4.737
  272    HA   LEU  41           HA       LEU  41 -10.545  -1.069   6.970
  273   1HB   LEU  41          HB2       LEU  41 -12.546  -0.265   6.399
  274   2HB   LEU  41          HB1       LEU  41 -12.359  -0.468   4.606
  275    HG   LEU  41           HG       LEU  41 -12.333  -2.817   6.555
  276   1HD1  LEU  41          HD11      LEU  41 -14.568  -1.461   6.646
  277   2HD1  LEU  41          HD12      LEU  41 -14.749  -3.171   6.111
  278   3HD1  LEU  41          HD13      LEU  41 -14.783  -1.827   4.909
  279   1HD2  LEU  41          HD21      LEU  41 -13.086  -2.562   3.524
  280   2HD2  LEU  41          HD22      LEU  41 -12.983  -4.100   4.433
  281   3HD2  LEU  41          HD23      LEU  41 -11.500  -3.140   4.092
  282    H    PHE  42           HN       PHE  42  -9.483  -3.079   6.757
  283    HA   PHE  42           HA       PHE  42  -7.341  -2.895   4.762
  284   1HB   PHE  42          HB2       PHE  42  -7.899  -5.249   6.639
  285   2HB   PHE  42          HB1       PHE  42  -6.578  -5.249   5.390
  286    HD1  PHE  42           HD1      PHE  42  -7.415  -2.259   7.677
  287    HD2  PHE  42           HD2      PHE  42  -4.817  -5.528   6.763
  288    HE1  PHE  42           HE1      PHE  42  -5.749  -1.374   9.196
  289    HE2  PHE  42           HE2      PHE  42  -3.175  -4.640   8.335
  290    HZ   PHE  42           HZ       PHE  42  -3.603  -2.516   9.520
  291    H    ASP  43           HN       ASP  43  -6.817  -4.520   3.101
  292    HA   ASP  43           HA       ASP  43  -8.850  -5.142   1.283
  293   1HB   ASP  43          HB2       ASP  43  -6.406  -4.591   0.845
  294   2HB   ASP  43          HB1       ASP  43  -5.977  -6.247   1.361
  295    H    ASP  44           HN       ASP  44  -8.302  -6.620   4.034
  296    HA   ASP  44           HA       ASP  44  -9.415  -9.247   3.367
  297   1HB   ASP  44          HB1       ASP  44  -7.941 -10.291   5.056
  298   2HB   ASP  44          HB2       ASP  44  -7.012  -9.437   3.781
  299    H    GLY  45           HN       GLY  45 -10.276  -6.237   4.747
  300   1HA   GLY  45          HA2       GLY  45 -12.245  -5.810   5.444
  301   2HA   GLY  45          HA1       GLY  45 -12.537  -7.529   6.036
  302    H    TYR  46           HN       TYR  46  -9.799  -5.704   7.309
  303    HA   TYR  46           HA       TYR  46 -11.202  -5.498   9.899
  304   1HB   TYR  46          HB1       TYR  46  -9.000  -6.652   9.927
  305   2HB   TYR  46          HB2       TYR  46  -8.215  -5.211   9.185
  306    HD1  TYR  46           HD1      TYR  46 -10.190  -6.284  12.190
  307    HD2  TYR  46           HD2      TYR  46  -7.489  -3.441  10.530
  308    HE1  TYR  46           HE1      TYR  46 -10.089  -5.112  14.357
  309    HE2  TYR  46           HE2      TYR  46  -7.436  -2.237  12.661
  310    HH   TYR  46           HH       TYR  46  -8.513  -1.980  14.658
  311    H    GLU  47           HN       GLU  47 -12.446  -3.583  10.049
  312    HA   GLU  47           HA       GLU  47 -11.312  -1.114   8.960
  313   1HB   GLU  47          HB2       GLU  47 -13.694  -1.774   8.472
  314   2HB   GLU  47          HB1       GLU  47 -14.111  -1.439  10.157
  315   1HG   GLU  47          HG2       GLU  47 -12.607   0.881   8.913
  316   2HG   GLU  47          HG1       GLU  47 -14.011   0.370   7.898
  317    H    CYS  48           HN       CYS  48 -11.191   0.882  10.021
  318    HA   CYS  48           HA       CYS  48 -11.625   1.161  12.814
  319   1HB   CYS  48          HB1       CYS  48  -8.999   0.019  12.022
  320   2HB   CYS  48          HB2       CYS  48  -8.713   1.650  12.687
  321    HG   CYS  48           HG       CYS  48 -10.557  -0.715  14.053
  322    H    ASP  49           HN       ASP  49 -10.328   3.390  13.407
  323    HA   ASP  49           HA       ASP  49 -10.044   4.960  10.924
  324   1HB   ASP  49          HB2       ASP  49 -10.586   6.392  13.649
  325   2HB   ASP  49          HB1       ASP  49 -10.742   7.000  11.976
  326    H    VAL  50           HN       VAL  50  -7.953   5.990  10.971
  327    HA   VAL  50           HA       VAL  50  -6.383   5.798  13.381
  328    HB   VAL  50           HB       VAL  50  -4.449   4.692  11.986
  329   1HG1  VAL  50          HG21      VAL  50  -5.236   2.456  12.140
  330   2HG1  VAL  50          HG22      VAL  50  -6.963   2.981  12.155
  331   3HG1  VAL  50          HG23      VAL  50  -5.893   3.416  13.538
  332   1HG2  VAL  50          HG11      VAL  50  -4.853   5.021   9.721
  333   2HG2  VAL  50          HG12      VAL  50  -6.638   4.986   9.851
  334   3HG2  VAL  50          HG13      VAL  50  -5.720   3.439   9.907
  335    H    LEU  51           HN       LEU  51  -4.138   6.744  13.011
  336    HA   LEU  51           HA       LEU  51  -4.205   9.117  11.341
  337   1HB   LEU  51          HB2       LEU  51  -2.147   7.729  13.221
  338   2HB   LEU  51          HB1       LEU  51  -1.616   9.115  12.214
  339    HG   LEU  51           HG       LEU  51  -2.044   9.582  14.637
  340   1HD1  LEU  51          HD21      LEU  51  -3.405  11.322  12.499
  341   2HD1  LEU  51          HD22      LEU  51  -1.646  11.289  12.902
  342   3HD1  LEU  51          HD23      LEU  51  -2.834  11.873  14.120
  343   1HD2  LEU  51          HD11      LEU  51  -4.308  10.228  15.361
  344   2HD2  LEU  51          HD12      LEU  51  -4.268   8.473  14.962
  345   3HD2  LEU  51          HD13      LEU  51  -5.023   9.650  13.815
  346    H    GLY  52           HN       GLY  52  -2.798   9.810   9.735
  347   1HA   GLY  52          HA2       GLY  52  -3.367   7.829   7.867
  348   2HA   GLY  52          HA1       GLY  52  -2.562   9.376   7.459
  349    H    LYS  53           HN       LYS  53  -0.291   9.335   8.929
  350    HA   LYS  53           HA       LYS  53   1.565   8.126   7.280
  351   1HB   LYS  53          HB1       LYS  53   3.157   9.137   8.629
  352   2HB   LYS  53          HB2       LYS  53   1.730  10.187   8.775
  353   1HG   LYS  53          HG1       LYS  53   2.900   8.237  10.858
  354   2HG   LYS  53          HG2       LYS  53   2.886  10.024  10.921
  355   1HD   LYS  53          HD2       LYS  53   0.518  10.067  11.523
  356   2HD   LYS  53          HD1       LYS  53   0.287   8.365  10.996
  357   1HE   LYS  53          HE2       LYS  53   0.298   8.386  13.429
  358   2HE   LYS  53          HE1       LYS  53   1.736   7.510  12.825
  359   1HZ   LYS  53          HZ1       LYS  53   1.676  10.338  13.761
  360   2HZ   LYS  53          HZ2       LYS  53   3.044   9.509  13.189
  361   3HZ   LYS  53          HZ3       LYS  53   2.277   8.997  14.615
  362    H    ASP  54           HN       ASP  54  -0.357   6.439   9.044
  363    HA   ASP  54           HA       ASP  54   1.198   4.094   9.700
  364   1HB   ASP  54          HB1       ASP  54  -1.455   5.022  11.037
  365   2HB   ASP  54          HB2       ASP  54  -0.696   3.418  11.278
  366    H    ILE  55           HN       ILE  55  -2.380   4.834   9.134
  367    HA   ILE  55           HA       ILE  55  -2.144   2.956   6.807
  368    HB   ILE  55           HB       ILE  55  -4.747   3.128   8.180
  369   1HG1  ILE  55          HG11      ILE  55  -3.275   2.814  10.143
  370   2HG1  ILE  55          HG12      ILE  55  -4.349   1.447   9.774
  371   1HG2  ILE  55          HG21      ILE  55  -4.746   1.871   6.183
  372   2HG2  ILE  55          HG22      ILE  55  -4.561   0.616   7.463
  373   3HG2  ILE  55          HG23      ILE  55  -3.154   1.131   6.496
  374   1HD1  ILE  55          HD11      ILE  55  -2.113   0.691  10.586
  375   2HD1  ILE  55          HD12      ILE  55  -1.287   1.450   9.208
  376   3HD1  ILE  55          HD13      ILE  55  -2.438   0.103   8.925
  377    H    LEU  56           HN       LEU  56  -1.982   4.182   5.093
  378    HA   LEU  56           HA       LEU  56  -3.940   6.353   4.623
  379   1HB   LEU  56          HB1       LEU  56  -2.218   7.874   3.576
  380   2HB   LEU  56          HB2       LEU  56  -2.072   7.540   5.288
  381    HG   LEU  56           HG       LEU  56  -0.251   5.791   4.694
  382   1HD1  LEU  56          HD21      LEU  56   1.000   6.195   2.434
  383   2HD1  LEU  56          HD22      LEU  56  -0.323   7.215   1.917
  384   3HD1  LEU  56          HD23      LEU  56  -0.522   5.454   2.172
  385   1HD2  LEU  56          HD11      LEU  56   0.470   8.563   3.739
  386   2HD2  LEU  56          HD12      LEU  56   1.291   7.560   4.974
  387   3HD2  LEU  56          HD13      LEU  56  -0.216   8.436   5.355
  388    H    LEU  57           HN       LEU  57  -4.145   7.310   2.661
  389    HA   LEU  57           HA       LEU  57  -4.459   5.994   0.280
  390   1HB   LEU  57          HB1       LEU  57  -5.375   8.143  -0.188
  391   2HB   LEU  57          HB2       LEU  57  -5.596   8.018   1.531
  392    HG   LEU  57           HG       LEU  57  -3.744   9.726  -0.181
  393   1HD1  LEU  57          HD11      LEU  57  -5.798  10.210   2.072
  394   2HD1  LEU  57          HD12      LEU  57  -6.109  10.324   0.317
  395   3HD1  LEU  57          HD13      LEU  57  -5.003  11.516   1.121
  396   1HD2  LEU  57          HD21      LEU  57  -2.106   9.129   1.669
  397   2HD2  LEU  57          HD22      LEU  57  -3.364   9.566   2.853
  398   3HD2  LEU  57          HD23      LEU  57  -2.673  10.808   1.713
  399    H    CYS  58           HN       CYS  58  -2.847   5.040  -0.781
  400    HA   CYS  58           HA       CYS  58  -0.253   6.168  -1.212
  401   1HB   CYS  58          HB1       CYS  58  -1.166   4.189   0.446
  402   2HB   CYS  58          HB2       CYS  58  -1.186   3.222  -1.043
  403    HG   CYS  58           HG       CYS  58   1.457   4.167  -1.497
  404    H    ASP  59           HN       ASP  59   0.410   4.880  -3.161
  405    HA   ASP  59           HA       ASP  59  -1.508   4.870  -5.412
  406   1HB   ASP  59          HB2       ASP  59   1.132   5.725  -5.596
  407   2HB   ASP  59          HB1       ASP  59   1.293   4.060  -6.242
  408    HA   PRO  60           HA       PRO  60   0.299   2.854  -2.492
  409   1HB   PRO  60          HB2       PRO  60   2.051   0.586  -2.244
  410   2HB   PRO  60          HB1       PRO  60   0.477   0.840  -1.480
  411   1HG   PRO  60          HG1       PRO  60   1.198  -0.700  -3.967
  412   2HG   PRO  60          HG2       PRO  60  -0.187  -0.977  -2.834
  413   1HD   PRO  60          HD2       PRO  60  -0.337   0.177  -5.447
  414   2HD   PRO  60          HD1       PRO  60  -1.598   0.390  -4.148
  415    H    ILE  61           HN       ILE  61   2.854   1.292  -4.516
  416    HA   ILE  61           HA       ILE  61   4.230   3.820  -4.003
  417    HB   ILE  61           HB       ILE  61   4.642   1.258  -2.919
  418   1HG1  ILE  61          HG12      ILE  61   6.444   2.235  -1.743
  419   2HG1  ILE  61          HG11      ILE  61   6.695   3.534  -2.890
  420   1HG2  ILE  61          HG21      ILE  61   7.019   1.018  -3.405
  421   2HG2  ILE  61          HG22      ILE  61   6.911   2.268  -4.717
  422   3HG2  ILE  61          HG23      ILE  61   6.076   0.658  -4.933
  423   1HD1  ILE  61          HD11      ILE  61   4.027   3.422  -1.434
  424   2HD1  ILE  61          HD12      ILE  61   4.974   4.789  -2.241
  425   3HD1  ILE  61          HD13      ILE  61   5.489   4.119  -0.664
  426    HA   PRO  62           HA       PRO  62   4.779   5.053  -7.826
  427   1HB   PRO  62          HB2       PRO  62   7.843   5.126  -7.408
  428   2HB   PRO  62          HB1       PRO  62   6.740   6.452  -7.966
  429   1HG   PRO  62          HG1       PRO  62   7.413   6.398  -5.209
  430   2HG   PRO  62          HG2       PRO  62   5.663   6.447  -5.692
  431   1HD   PRO  62          HD1       PRO  62   7.285   4.102  -5.080
  432   2HD   PRO  62          HD2       PRO  62   5.868   4.818  -4.242
  433    H    LEU  63           HN       LEU  63   4.526   4.238  -9.737
  434    HA   LEU  63           HA       LEU  63   4.737   1.760 -10.527
  435   1HB   LEU  63          HB1       LEU  63   4.142   4.358 -11.968
  436   2HB   LEU  63          HB2       LEU  63   3.724   2.744 -12.645
  437    HG   LEU  63           HG       LEU  63   2.936   2.771  -9.803
  438   1HD1  LEU  63          HD21      LEU  63   2.781   5.274  -9.972
  439   2HD1  LEU  63          HD22      LEU  63   1.242   4.446  -9.661
  440   3HD1  LEU  63          HD23      LEU  63   1.595   5.075 -11.324
  441   1HD2  LEU  63          HD11      LEU  63   0.773   2.130 -10.796
  442   2HD2  LEU  63          HD12      LEU  63   2.214   1.225 -11.404
  443   3HD2  LEU  63          HD13      LEU  63   1.447   2.487 -12.439
  444    H    ASP  64           HN       ASP  64   7.284   2.471 -10.101
  445    HA   ASP  64           HA       ASP  64   8.796   0.987 -12.168
  446   1HB   ASP  64          HB2       ASP  64   8.855   3.867 -11.143
  447   2HB   ASP  64          HB1       ASP  64  10.435   3.229 -11.701
  448    H    THR  65           HN       THR  65   7.995   0.552  -9.112
  449    HA   THR  65           HA       THR  65  10.516   1.095  -7.848
  450    HB   THR  65           HB       THR  65   7.829   1.340  -6.539
  451    HG1  THR  65           HG1      THR  65   8.219   3.037  -7.656
  452   1HG2  THR  65          HG21      THR  65   9.420   0.570  -4.791
  453   2HG2  THR  65          HG22      THR  65   9.223   2.349  -4.638
  454   3HG2  THR  65          HG23      THR  65  10.699   1.698  -5.431
  455    H    GLU  66           HN       GLU  66  11.399  -0.109  -6.947
  456    HA   GLU  66           HA       GLU  66  11.144  -2.906  -6.708
  457   1HB   GLU  66          HB2       GLU  66  13.256  -1.674  -6.741
  458   2HB   GLU  66          HB1       GLU  66  12.835  -0.828  -5.221
  459   1HG   GLU  66          HG2       GLU  66  13.081  -2.987  -3.954
  460   2HG   GLU  66          HG1       GLU  66  13.398  -3.840  -5.511
  461    H    VAL  67           HN       VAL  67   9.176  -3.453  -5.828
  462    HA   VAL  67           HA       VAL  67   8.777  -2.958  -2.900
  463    HB   VAL  67           HB       VAL  67   6.324  -3.870  -3.502
  464   1HG1  VAL  67          HG11      VAL  67   7.409  -1.017  -3.395
  465   2HG1  VAL  67          HG12      VAL  67   6.878  -2.104  -2.045
  466   3HG1  VAL  67          HG13      VAL  67   5.657  -1.465  -3.168
  467   1HG2  VAL  67          HG21      VAL  67   6.942  -2.027  -5.851
  468   2HG2  VAL  67          HG22      VAL  67   5.472  -3.012  -5.508
  469   3HG2  VAL  67          HG23      VAL  67   6.988  -3.835  -6.011
  470    H    THR  68           HN       THR  68   7.538  -4.663  -1.723
  471    HA   THR  68           HA       THR  68   9.215  -7.072  -2.226
  472    HB   THR  68           HB       THR  68   9.832  -6.144  -0.236
  473    HG1  THR  68           HG1      THR  68   9.009  -7.677   1.342
  474   1HG2  THR  68          HG21      THR  68   8.023  -5.593   1.506
  475   2HG2  THR  68          HG22      THR  68   6.822  -6.131   0.238
  476   3HG2  THR  68          HG23      THR  68   7.807  -4.694  -0.068
  477    H    ALA  69           HN       ALA  69   8.489  -9.069  -2.632
  478    HA   ALA  69           HA       ALA  69   5.562  -9.287  -3.094
  479   1HB   ALA  69          HB1       ALA  69   7.183  -9.492  -4.933
  480   2HB   ALA  69          HB2       ALA  69   6.399 -11.103  -4.645
  481   3HB   ALA  69          HB3       ALA  69   8.090 -10.752  -4.039
  482    H    LEU  70           HN       LEU  70   4.331 -10.782  -2.020
  483    HA   LEU  70           HA       LEU  70   5.297 -11.631   0.469
  484   1HB   LEU  70          HB2       LEU  70   2.963 -10.962  -0.339
  485   2HB   LEU  70          HB1       LEU  70   2.789 -12.708  -0.658
  486    HG   LEU  70           HG       LEU  70   1.799 -12.056   1.473
  487   1HD1  LEU  70          HD21      LEU  70   2.739 -13.439   3.168
  488   2HD1  LEU  70          HD22      LEU  70   4.373 -13.338   2.454
  489   3HD1  LEU  70          HD23      LEU  70   3.070 -14.268   1.597
  490   1HD2  LEU  70          HD11      LEU  70   4.492 -10.810   2.273
  491   2HD2  LEU  70          HD12      LEU  70   3.067 -10.989   3.352
  492   3HD2  LEU  70          HD13      LEU  70   2.942  -9.948   1.898
  493    H    SER  71           HN       SER  71   6.423 -12.960   1.018
  494    HA   SER  71           HA       SER  71   6.253 -15.777   0.830
  495   1HB   SER  71          HB1       SER  71   8.833 -14.261   0.096
  496   2HB   SER  71          HB2       SER  71   8.873 -15.923   0.803
  497    HG   SER  71           HG       SER  71   7.249 -15.268  -1.423
  498    H    GLU  72           HN       GLU  72   7.534 -16.464   2.875
  499    HA   GLU  72           HA       GLU  72   6.704 -15.492   5.180
  500   1HB   GLU  72          HB2       GLU  72   9.517 -16.343   5.490
  501   2HB   GLU  72          HB1       GLU  72   8.014 -17.269   5.858
  502   1HG   GLU  72          HG2       GLU  72   9.425 -16.866   3.133
  503   2HG   GLU  72          HG1       GLU  72   9.859 -18.129   4.361
  504    H    ASP  73           HN       ASP  73   7.863 -14.779   7.070
  505    HA   ASP  73           HA       ASP  73   8.199 -12.141   7.196
  506   1HB   ASP  73          HB2       ASP  73   9.353 -14.122   9.234
  507   2HB   ASP  73          HB1       ASP  73   8.934 -12.401   9.592
  508    H    GLU  74           HN       GLU  74  11.150 -14.138   7.253
  509    HA   GLU  74           HA       GLU  74  12.768 -11.683   6.908
  510   1HB   GLU  74          HB2       GLU  74  14.657 -12.900   7.861
  511   2HB   GLU  74          HB1       GLU  74  13.264 -12.820   8.985
  512   1HG   GLU  74          HG2       GLU  74  12.633 -15.192   8.401
  513   2HG   GLU  74          HG1       GLU  74  14.063 -15.282   7.306
  514    H    TYR  75           HN       TYR  75  11.249 -13.624   4.924
  515    HA   TYR  75           HA       TYR  75  13.538 -14.290   3.147
  516   1HB   TYR  75          HB2       TYR  75  10.780 -15.534   3.553
  517   2HB   TYR  75          HB1       TYR  75  11.895 -16.052   2.228
  518    HD1  TYR  75           HD1      TYR  75  13.736 -17.390   2.649
  519    HD2  TYR  75           HD2      TYR  75  11.458 -15.951   5.960
  520    HE1  TYR  75           HE1      TYR  75  14.838 -19.027   4.100
  521    HE2  TYR  75           HE2      TYR  75  12.529 -17.640   7.408
  522    HH   TYR  75           HH       TYR  75  15.035 -19.839   6.175
  523    H    PHE  76           HN       PHE  76  10.192 -12.998   3.276
  524    HA   PHE  76           HA       PHE  76   9.872 -12.407   0.588
  525   1HB   PHE  76          HB2       PHE  76   8.402 -10.381   1.061
  526   2HB   PHE  76          HB1       PHE  76   7.994 -11.930   1.755
  527    HD1  PHE  76           HD1      PHE  76  10.628 -10.048   3.664
  528    HD2  PHE  76           HD2      PHE  76   6.469 -10.736   3.040
  529    HE1  PHE  76           HE1      PHE  76  10.124  -8.912   5.734
  530    HE2  PHE  76           HE2      PHE  76   5.969  -9.615   5.172
  531    HZ   PHE  76           HZ       PHE  76   7.805  -8.654   6.512
  532    H    SER  77           HN       SER  77  10.248 -11.130  -0.983
  533    HA   SER  77           HA       SER  77  12.499  -9.175  -0.687
  534   1HB   SER  77          HB1       SER  77  12.610 -11.804  -2.292
  535   2HB   SER  77          HB2       SER  77  13.787 -10.459  -2.514
  536    HG   SER  77           HG       SER  77  13.346 -11.956  -0.113
  537    H    ALA  78           HN       ALA  78  13.080  -8.008  -2.678
  538    HA   ALA  78           HA       ALA  78  10.655  -7.165  -3.877
  539   1HB   ALA  78          HB1       ALA  78  11.781  -5.029  -4.457
  540   2HB   ALA  78          HB2       ALA  78  13.367  -5.755  -4.003
  541   3HB   ALA  78          HB3       ALA  78  12.086  -5.453  -2.784
  542    H    GLY  79           HN       GLY  79  10.209  -6.277  -5.747
  543   1HA   GLY  79          HA2       GLY  79  11.387  -7.122  -8.231
  544   2HA   GLY  79          HA1       GLY  79   9.603  -7.657  -7.845
  545    H    VAL  80           HN       VAL  80   9.109  -6.067  -9.772
  546    HA   VAL  80           HA       VAL  80   9.215  -3.268  -8.678
  547    HB   VAL  80           HB       VAL  80   9.429  -4.661 -11.372
  548   1HG1  VAL  80          HG11      VAL  80   8.956  -1.610 -10.919
  549   2HG1  VAL  80          HG12      VAL  80   7.924  -2.733 -11.894
  550   3HG1  VAL  80          HG13      VAL  80   9.578  -2.339 -12.441
  551   1HG2  VAL  80          HG21      VAL  80  11.106  -2.560  -9.888
  552   2HG2  VAL  80          HG22      VAL  80  11.542  -3.354 -11.454
  553   3HG2  VAL  80          HG23      VAL  80  11.434  -4.355  -9.929
  554    H    VAL  81           HN       VAL  81   7.380  -2.194  -8.174
  555    HA   VAL  81           HA       VAL  81   4.885  -3.226  -9.325
  556    HB   VAL  81           HB       VAL  81   4.909  -1.892  -7.112
  557   1HG1  VAL  81          HG21      VAL  81   5.236   0.591  -7.162
  558   2HG1  VAL  81          HG22      VAL  81   5.716   0.563  -8.870
  559   3HG1  VAL  81          HG23      VAL  81   6.765  -0.219  -7.654
  560   1HG2  VAL  81          HG11      VAL  81   2.875  -1.856  -8.626
  561   2HG2  VAL  81          HG12      VAL  81   3.464  -0.241  -9.240
  562   3HG2  VAL  81          HG13      VAL  81   3.058  -0.441  -7.488
  563    H    LYS  82           HN       LYS  82   4.043  -2.660 -11.315
  564    HA   LYS  82           HA       LYS  82   5.501  -0.534 -12.783
  565   1HB   LYS  82          HB2       LYS  82   5.929  -2.976 -13.434
  566   2HB   LYS  82          HB1       LYS  82   4.170  -3.117 -13.761
  567   1HG   LYS  82          HG2       LYS  82   5.508  -2.896 -15.849
  568   2HG   LYS  82          HG1       LYS  82   4.339  -1.555 -15.660
  569   1HD   LYS  82          HD2       LYS  82   6.438  -0.705 -16.537
  570   2HD   LYS  82          HD1       LYS  82   6.182  -0.040 -14.886
  571   1HE   LYS  82          HE2       LYS  82   7.814  -1.739 -13.963
  572   2HE   LYS  82          HE1       LYS  82   8.073  -2.384 -15.633
  573   1HZ   LYS  82          HZ1       LYS  82   8.616   0.390 -14.709
  574   2HZ   LYS  82          HZ2       LYS  82   8.869  -0.210 -16.277
  575   3HZ   LYS  82          HZ3       LYS  82   9.765  -0.832 -14.975
  576    H    GLY  83           HN       GLY  83   2.282  -2.034 -12.170
  577   1HA   GLY  83          HA2       GLY  83   0.899   0.341 -13.070
  578   2HA   GLY  83          HA1       GLY  83   0.761  -1.131 -14.109
  579    H    HIS  84           HN       HIS  84  -1.330   0.367 -12.273
  580    HA   HIS  84           HA       HIS  84  -2.438  -2.068 -11.430
  581   1HB   HIS  84          HB1       HIS  84  -2.849  -1.233  -8.916
  582   2HB   HIS  84          HB2       HIS  84  -1.303  -1.965  -9.398
  583    HD1  HIS  84           HD1      HIS  84  -2.321   1.817  -9.252
  584    HD2  HIS  84           HD2      HIS  84   0.748  -0.896  -8.380
  585    HE1  HIS  84           HE1      HIS  84  -0.254   3.152  -8.483
  586    H    ARG  85           HN       ARG  85  -4.421  -2.371 -10.533
  587    HA   ARG  85           HA       ARG  85  -6.309  -0.385 -11.620
  588   1HB   ARG  85          HB2       ARG  85  -7.255  -2.181 -13.004
  589   2HB   ARG  85          HB1       ARG  85  -5.490  -2.259 -13.304
  590   1HG   ARG  85          HG1       ARG  85  -5.481  -4.448 -12.717
  591   2HG   ARG  85          HG2       ARG  85  -5.984  -4.046 -11.046
  592   1HD   ARG  85          HD2       ARG  85  -7.644  -5.571 -11.763
  593   2HD   ARG  85          HD1       ARG  85  -8.430  -3.964 -11.904
  594    HE   ARG  85           HE       ARG  85  -7.190  -5.493 -14.233
  595   1HH1  ARG  85          HH11      ARG  85  -9.768  -3.308 -13.038
  596   2HH1  ARG  85          HH12      ARG  85 -10.587  -3.254 -14.563
  597   1HH2  ARG  85          HH21      ARG  85  -8.309  -5.397 -16.241
  598   2HH2  ARG  85          HH22      ARG  85  -9.752  -4.452 -16.399
  599    H    LYS  86           HN       LYS  86  -8.610  -1.106 -11.003
  600    HA   LYS  86           HA       LYS  86  -8.693  -3.296  -9.133
  601   1HB   LYS  86          HB2       LYS  86  -9.948  -2.260  -7.446
  602   2HB   LYS  86          HB1       LYS  86  -8.478  -1.280  -7.756
  603   1HG   LYS  86          HG2       LYS  86  -9.827   0.408  -9.039
  604   2HG   LYS  86          HG1       LYS  86 -11.317  -0.576  -8.806
  605   1HD   LYS  86          HD2       LYS  86 -11.077  -0.353  -6.320
  606   2HD   LYS  86          HD1       LYS  86  -9.664   0.735  -6.569
  607   1HE   LYS  86          HE2       LYS  86 -12.534   1.295  -7.593
  608   2HE   LYS  86          HE1       LYS  86 -11.778   2.013  -6.112
  609   1HZ   LYS  86          HZ1       LYS  86 -10.095   2.996  -7.506
  610   2HZ   LYS  86          HZ2       LYS  86 -11.649   3.477  -7.992
  611   3HZ   LYS  86          HZ3       LYS  86 -10.794   2.323  -8.900
  612    H    GLU  87           HN       GLU  87 -10.603  -4.439  -9.181
  613    HA   GLU  87           HA       GLU  87 -12.574  -3.584 -11.244
  614   1HB   GLU  87          HB2       GLU  87 -10.871  -5.396 -12.075
  615   2HB   GLU  87          HB1       GLU  87 -11.768  -6.523 -11.015
  616   1HG   GLU  87          HG2       GLU  87 -13.909  -5.941 -12.244
  617   2HG   GLU  87          HG1       GLU  87 -12.972  -4.820 -13.301
  618    H    SER  88           HN       SER  88 -14.778  -4.645 -10.741
  619    HA   SER  88           HA       SER  88 -15.609  -4.097  -8.258
  620   1HB   SER  88          HB2       SER  88 -16.953  -5.990 -10.258
  621   2HB   SER  88          HB1       SER  88 -17.755  -4.907  -9.045
  622    HG   SER  88           HG       SER  88 -17.680  -3.947 -11.123
  623    H    GLY  89           HN       GLY  89 -13.992  -5.338  -6.932
  624   1HA   GLY  89          HA2       GLY  89 -14.296  -6.696  -4.986
  625   2HA   GLY  89          HA1       GLY  89 -15.003  -7.986  -6.021
  626    H    GLU  90           HN       GLU  90 -12.233  -6.317  -7.532
  627    HA   GLU  90           HA       GLU  90 -10.404  -8.403  -6.664
  628   1HB   GLU  90          HB2       GLU  90 -10.705  -7.296  -9.534
  629   2HB   GLU  90          HB1       GLU  90  -9.720  -8.657  -8.940
  630   1HG   GLU  90          HG2       GLU  90 -12.018  -9.811  -8.393
  631   2HG   GLU  90          HG1       GLU  90 -12.751  -8.438  -9.328
  632    H    LEU  91           HN       LEU  91  -8.164  -7.628  -6.748
  633    HA   LEU  91           HA       LEU  91  -7.820  -4.803  -7.424
  634   1HB   LEU  91          HB2       LEU  91  -7.901  -5.516  -4.777
  635   2HB   LEU  91          HB1       LEU  91  -6.272  -6.208  -5.070
  636    HG   LEU  91           HG       LEU  91  -6.277  -3.930  -4.069
  637   1HD1  LEU  91          HD11      LEU  91  -5.250  -3.495  -6.942
  638   2HD1  LEU  91          HD12      LEU  91  -4.374  -4.477  -5.699
  639   3HD1  LEU  91          HD13      LEU  91  -4.689  -2.723  -5.417
  640   1HD2  LEU  91          HD21      LEU  91  -7.509  -2.807  -6.646
  641   2HD2  LEU  91          HD22      LEU  91  -7.196  -1.943  -5.110
  642   3HD2  LEU  91          HD23      LEU  91  -8.494  -3.197  -5.177
  643    H    TYR  92           HN       TYR  92  -5.886  -4.798  -9.011
  644    HA   TYR  92           HA       TYR  92  -3.931  -6.664  -8.037
  645   1HB   TYR  92          HB2       TYR  92  -3.509  -7.966 -10.266
  646   2HB   TYR  92          HB1       TYR  92  -4.600  -8.540  -8.995
  647    HD1  TYR  92           HD1      TYR  92  -6.817  -9.034  -9.397
  648    HD2  TYR  92           HD2      TYR  92  -4.648  -6.795 -12.276
  649    HE1  TYR  92           HE1      TYR  92  -8.599  -9.403 -11.043
  650    HE2  TYR  92           HE2      TYR  92  -6.279  -7.294 -13.966
  651    HH   TYR  92           HH       TYR  92  -8.295  -8.413 -14.403
  652    H    TYR  93           HN       TYR  93  -1.957  -6.371  -8.288
  653    HA   TYR  93           HA       TYR  93  -1.233  -4.077 -10.021
  654   1HB   TYR  93          HB1       TYR  93   0.646  -5.390  -8.043
  655   2HB   TYR  93          HB2       TYR  93   0.903  -3.868  -8.985
  656    HD1  TYR  93           HD1      TYR  93  -2.351  -3.880  -7.119
  657    HD2  TYR  93           HD2      TYR  93   1.902  -3.298  -6.922
  658    HE1  TYR  93           HE1      TYR  93  -2.432  -3.599  -4.684
  659    HE2  TYR  93           HE2      TYR  93   1.780  -3.034  -4.526
  660    HH   TYR  93           HH       TYR  93   0.510  -4.090  -2.845
  661    H    SER  94           HN       SER  94   0.351  -4.369 -11.642
  662    HA   SER  94           HA       SER  94   1.026  -7.148 -12.317
  663   1HB   SER  94          HB2       SER  94   1.844  -6.152 -14.541
  664   2HB   SER  94          HB1       SER  94   0.079  -6.119 -14.213
  665    HG   SER  94           HG       SER  94   1.894  -3.920 -14.051
  666    H    ILE  95           HN       ILE  95   2.520  -7.746 -11.057
  667    HA   ILE  95           HA       ILE  95   4.733  -6.023 -10.160
  668    HB   ILE  95           HB       ILE  95   3.649  -8.781  -9.363
  669   1HG1  ILE  95          HG11      ILE  95   2.029  -7.036  -8.907
  670   2HG1  ILE  95          HG12      ILE  95   2.786  -7.543  -7.409
  671   1HG2  ILE  95          HG21      ILE  95   6.021  -8.760  -8.769
  672   2HG2  ILE  95          HG22      ILE  95   5.101  -8.442  -7.277
  673   3HG2  ILE  95          HG23      ILE  95   5.930  -7.075  -8.117
  674   1HD1  ILE  95          HD11      ILE  95   2.766  -5.148  -7.218
  675   2HD1  ILE  95          HD12      ILE  95   3.198  -4.895  -8.948
  676   3HD1  ILE  95          HD13      ILE  95   4.431  -5.465  -7.762
  677    H    GLU  96           HN       GLU  96   6.587  -6.000 -11.195
  678    HA   GLU  96           HA       GLU  96   6.986  -8.247 -13.105
  679   1HB   GLU  96          HB1       GLU  96   7.016  -5.990 -14.013
  680   2HB   GLU  96          HB2       GLU  96   8.320  -5.521 -12.893
  681   1HG   GLU  96          HG2       GLU  96   9.892  -7.151 -14.066
  682   2HG   GLU  96          HG1       GLU  96   8.529  -7.644 -15.143
  683    H    LYS  97           HN       LYS  97   7.960 -10.023 -12.457
  684    HA   LYS  97           HA       LYS  97   9.992  -9.797 -10.273
  685   1HB   LYS  97          HB1       LYS  97   7.626  -9.947  -9.390
  686   2HB   LYS  97          HB2       LYS  97   7.331 -11.263 -10.599
  687   1HG   LYS  97          HG1       LYS  97   8.304 -12.908  -9.262
  688   2HG   LYS  97          HG2       LYS  97   9.421 -11.774  -8.466
  689   1HD   LYS  97          HD2       LYS  97   7.603 -10.842  -7.084
  690   2HD   LYS  97          HD1       LYS  97   6.381 -11.776  -7.992
  691   1HE   LYS  97          HE2       LYS  97   6.800 -12.909  -5.841
  692   2HE   LYS  97          HE1       LYS  97   7.424 -13.943  -7.184
  693   1HZ   LYS  97          HZ1       LYS  97   9.628 -13.100  -6.735
  694   2HZ   LYS  97          HZ2       LYS  97   8.950 -13.810  -5.348
  695   3HZ   LYS  97          HZ3       LYS  97   9.041 -12.119  -5.479
  696    H    GLU  98           HN       GLU  98  11.593 -11.364 -10.406
  697    HA   GLU  98           HA       GLU  98  12.787 -13.114 -11.015
  698   1HB   GLU  98          HB2       GLU  98   9.987 -14.385 -11.182
  699   2HB   GLU  98          HB1       GLU  98  11.573 -15.350 -11.357
  700   1HG   GLU  98          HG2       GLU  98  12.294 -14.789  -9.198
  701   2HG   GLU  98          HG1       GLU  98  10.902 -13.668  -8.896
  702    H    GLY  99           HN       GLY  99  11.181 -11.498 -13.183
  703   1HA   GLY  99          HA2       GLY  99  12.368 -11.021 -15.277
  704   2HA   GLY  99          HA1       GLY  99  12.379 -12.792 -15.605
  705    H    GLN 100           HN       GLN 100   9.454 -12.264 -14.124
  706    HA   GLN 100           HA       GLN 100   8.049 -11.482 -16.565
  707   1HB   GLN 100          HB2       GLN 100   6.517 -13.556 -16.262
  708   2HB   GLN 100          HB1       GLN 100   8.192 -13.865 -16.796
  709   1HG   GLN 100          HG2       GLN 100   7.777 -15.585 -15.295
  710   2HG   GLN 100          HG1       GLN 100   8.818 -14.479 -14.356
  711   1HE2  GLN 100          HE21      GLN 100   7.864 -13.375 -12.466
  712   2HE2  GLN 100          HE22      GLN 100   6.172 -13.720 -12.029
  713    H    ARG 101           HN       ARG 101   5.578 -11.273 -16.245
  714    HA   ARG 101           HA       ARG 101   5.328  -9.782 -13.732
  715   1HB   ARG 101          HB2       ARG 101   3.913  -8.196 -14.619
  716   2HB   ARG 101          HB1       ARG 101   5.369  -8.340 -15.628
  717   1HG   ARG 101          HG2       ARG 101   3.744  -8.101 -17.224
  718   2HG   ARG 101          HG1       ARG 101   3.862  -9.896 -17.187
  719   1HD   ARG 101          HD1       ARG 101   1.803 -10.025 -15.800
  720   2HD   ARG 101          HD2       ARG 101   1.787  -8.240 -15.572
  721    HE   ARG 101           HE       ARG 101   1.017  -9.803 -18.022
  722   1HH1  ARG 101          HH11      ARG 101   1.673  -6.553 -16.667
  723   2HH1  ARG 101          HH12      ARG 101   0.834  -5.719 -17.934
  724   1HH2  ARG 101          HH21      ARG 101  -0.099  -8.658 -19.699
  725   2HH2  ARG 101          HH22      ARG 101  -0.183  -6.928 -19.673
  726    H    LYS 102           HN       LYS 102   4.194 -10.019 -12.248
  727    HA   LYS 102           HA       LYS 102   2.255 -12.325 -12.285
  728   1HB   LYS 102          HB2       LYS 102   4.046 -11.136 -10.143
  729   2HB   LYS 102          HB1       LYS 102   2.543 -11.920  -9.577
  730   1HG   LYS 102          HG2       LYS 102   3.084 -14.023 -10.469
  731   2HG   LYS 102          HG1       LYS 102   4.231 -13.386 -11.682
  732   1HD   LYS 102          HD2       LYS 102   6.011 -13.094 -10.073
  733   2HD   LYS 102          HD1       LYS 102   4.878 -13.310  -8.683
  734   1HE   LYS 102          HE2       LYS 102   5.635 -15.495 -10.738
  735   2HE   LYS 102          HE1       LYS 102   6.346 -15.304  -9.085
  736   1HZ   LYS 102          HZ1       LYS 102   3.489 -15.824  -9.719
  737   2HZ   LYS 102          HZ2       LYS 102   4.150 -15.630  -8.166
  738   3HZ   LYS 102          HZ3       LYS 102   4.622 -16.945  -9.133
  739    H    TRP 103           HN       TRP 103   0.037 -11.996 -11.674
  740    HA   TRP 103           HA       TRP 103  -0.647  -9.126 -11.320
  741   1HB   TRP 103          HB2       TRP 103  -2.210 -11.446 -12.603
  742   2HB   TRP 103          HB1       TRP 103  -3.032  -9.961 -12.019
  743    HD1  TRP 103           HD1      TRP 103  -1.413 -11.173 -15.192
  744    HE1  TRP 103           HE1      TRP 103  -1.530  -9.223 -16.887
  745    HE3  TRP 103           HE3      TRP 103  -2.361  -7.393 -11.965
  746    HZ2  TRP 103           HZ2      TRP 103  -2.058  -6.436 -16.811
  747    HZ3  TRP 103           HZ3      TRP 103  -2.737  -5.123 -12.825
  748    HH2  TRP 103           HH2      TRP 103  -2.552  -4.652 -15.225
  749    H    TYR 104           HN       TYR 104  -0.665  -8.754  -9.346
  750    HA   TYR 104           HA       TYR 104  -1.747 -10.675  -7.251
  751   1HB   TYR 104          HB1       TYR 104   0.712  -8.832  -7.384
  752   2HB   TYR 104          HB2       TYR 104   0.098  -9.472  -5.811
  753    HD1  TYR 104           HD1      TYR 104  -0.597 -12.350  -6.752
  754    HD2  TYR 104           HD2      TYR 104   2.776  -9.773  -7.191
  755    HE1  TYR 104           HE1      TYR 104   0.897 -14.249  -6.508
  756    HE2  TYR 104           HE2      TYR 104   4.260 -11.664  -7.057
  757    HH   TYR 104           HH       TYR 104   4.344 -13.922  -6.108
  758    H    LYS 105           HN       LYS 105  -3.584  -9.867  -6.138
  759    HA   LYS 105           HA       LYS 105  -4.122  -7.231  -5.814
  760   1HB   LYS 105          HB2       LYS 105  -5.175  -8.758  -3.509
  761   2HB   LYS 105          HB1       LYS 105  -6.015  -8.358  -4.993
  762   1HG   LYS 105          HG2       LYS 105  -6.269 -10.683  -4.596
  763   2HG   LYS 105          HG1       LYS 105  -5.213 -10.550  -6.019
  764   1HD   LYS 105          HD1       LYS 105  -3.203 -10.899  -4.389
  765   2HD   LYS 105          HD2       LYS 105  -4.407 -11.162  -3.088
  766   1HE   LYS 105          HE2       LYS 105  -5.324 -13.151  -4.322
  767   2HE   LYS 105          HE1       LYS 105  -4.151 -12.855  -5.673
  768   1HZ   LYS 105          HZ1       LYS 105  -3.452 -13.462  -2.849
  769   2HZ   LYS 105          HZ2       LYS 105  -2.357 -13.181  -4.116
  770   3HZ   LYS 105          HZ3       LYS 105  -3.382 -14.534  -4.164
  771    H    ARG 106           HN       ARG 106  -4.189  -6.098  -3.903
  772    HA   ARG 106           HA       ARG 106  -2.010  -5.090  -3.066
  773   1HB   ARG 106          HB1       ARG 106  -4.588  -4.808  -2.428
  774   2HB   ARG 106          HB2       ARG 106  -4.046  -5.316  -0.818
  775   1HG   ARG 106          HG1       ARG 106  -2.238  -3.415  -1.032
  776   2HG   ARG 106          HG2       ARG 106  -3.048  -2.951  -2.556
  777   1HD   ARG 106          HD1       ARG 106  -4.125  -2.797   0.299
  778   2HD   ARG 106          HD2       ARG 106  -3.964  -1.478  -0.919
  779    HE   ARG 106           HE       ARG 106  -5.931  -3.821  -1.003
  780   1HH1  ARG 106          HH11      ARG 106  -5.211  -0.420  -1.835
  781   2HH1  ARG 106          HH12      ARG 106  -6.758  -0.149  -2.566
  782   1HH2  ARG 106          HH21      ARG 106  -7.971  -3.436  -1.971
  783   2HH2  ARG 106          HH22      ARG 106  -8.349  -1.883  -2.641
  784    H    MET 107           HN       MET 107  -3.291  -7.618  -1.015
  785    HA   MET 107           HA       MET 107  -1.284  -7.706   0.925
  786   1HB   MET 107          HB1       MET 107  -2.579  -9.679   1.765
  787   2HB   MET 107          HB2       MET 107  -3.545  -8.197   1.492
  788   1HG   MET 107          HG2       MET 107  -4.073  -9.328  -0.909
  789   2HG   MET 107          HG1       MET 107  -3.481 -10.818  -0.120
  790   1HE   MET 107          HE1       MET 107  -6.001 -11.814  -0.697
  791   2HE   MET 107          HE2       MET 107  -6.440 -10.203  -1.369
  792   3HE   MET 107          HE3       MET 107  -7.514 -10.997  -0.163
  793    H    ALA 108           HN       ALA 108  -1.047  -9.000  -2.353
  794    HA   ALA 108           HA       ALA 108   1.069 -10.786  -1.519
  795   1HB   ALA 108          HB1       ALA 108  -0.418 -10.363  -4.177
  796   2HB   ALA 108          HB2       ALA 108  -0.332 -11.880  -3.241
  797   3HB   ALA 108          HB3       ALA 108   1.095 -11.320  -4.195
  798    H    VAL 109           HN       VAL 109   0.887  -7.825  -2.415
  799    HA   VAL 109           HA       VAL 109   3.702  -7.475  -2.822
  800    HB   VAL 109           HB       VAL 109   3.158  -5.533  -4.625
  801   1HG1  VAL 109          HG11      VAL 109   4.768  -7.511  -4.464
  802   2HG1  VAL 109          HG12      VAL 109   4.199  -7.066  -6.050
  803   3HG1  VAL 109          HG13      VAL 109   3.485  -8.521  -5.223
  804   1HG2  VAL 109          HG21      VAL 109   0.642  -6.064  -4.541
  805   2HG2  VAL 109          HG22      VAL 109   1.013  -7.710  -5.139
  806   3HG2  VAL 109          HG23      VAL 109   1.367  -6.286  -6.159
  807    H    ILE 110           HN       ILE 110   4.293  -6.602  -1.182
  808    HA   ILE 110           HA       ILE 110   2.981  -4.110  -0.105
  809    HB   ILE 110           HB       ILE 110   3.462  -4.485   1.922
  810   1HG1  ILE 110          HG12      ILE 110   5.551  -5.838   2.032
  811   2HG1  ILE 110          HG11      ILE 110   4.239  -6.542   2.992
  812   1HG2  ILE 110          HG21      ILE 110   2.042  -6.917   0.696
  813   2HG2  ILE 110          HG22      ILE 110   1.334  -5.295   1.042
  814   3HG2  ILE 110          HG23      ILE 110   1.855  -6.360   2.392
  815   1HD1  ILE 110          HD11      ILE 110   5.276  -7.648   0.308
  816   2HD1  ILE 110          HD12      ILE 110   3.784  -8.236   1.129
  817   3HD1  ILE 110          HD13      ILE 110   5.382  -8.399   1.928
  818    H    LEU 111           HN       LEU 111   4.788  -3.051   1.692
  819    HA   LEU 111           HA       LEU 111   7.301  -2.641   0.203
  820   1HB   LEU 111          HB1       LEU 111   7.043  -0.301  -0.142
  821   2HB   LEU 111          HB2       LEU 111   5.539  -1.057  -0.720
  822    HG   LEU 111           HG       LEU 111   5.903   0.414   1.951
  823   1HD1  LEU 111          HD21      LEU 111   5.888   1.867   0.094
  824   2HD1  LEU 111          HD22      LEU 111   4.272   2.031   0.846
  825   3HD1  LEU 111          HD23      LEU 111   4.444   1.006  -0.655
  826   1HD2  LEU 111          HD11      LEU 111   3.347   0.182   2.022
  827   2HD2  LEU 111          HD12      LEU 111   4.292  -1.219   2.440
  828   3HD2  LEU 111          HD13      LEU 111   3.484  -1.122   0.792
  829    H    SER 112           HN       SER 112   8.986  -1.342   1.125
  830    HA   SER 112           HA       SER 112   9.045  -1.486   4.069
  831   1HB   SER 112          HB1       SER 112  10.699  -2.848   2.806
  832   2HB   SER 112          HB2       SER 112  11.411  -1.355   2.104
  833    HG   SER 112           HG       SER 112  11.171  -1.710   4.937
  834    H    LEU 113           HN       LEU 113  10.700   0.504   5.108
  835    HA   LEU 113           HA       LEU 113   9.279   2.824   4.383
  836   1HB   LEU 113          HB1       LEU 113  11.688   3.804   5.707
  837   2HB   LEU 113          HB2       LEU 113   9.971   4.319   5.678
  838    HG   LEU 113           HG       LEU 113  10.601   3.894   7.864
  839   1HD1  LEU 113          HD11      LEU 113   8.377   2.962   7.433
  840   2HD1  LEU 113          HD12      LEU 113   9.228   2.046   8.734
  841   3HD1  LEU 113          HD13      LEU 113   9.120   1.345   7.075
  842   1HD2  LEU 113          HD21      LEU 113  11.583   1.749   8.736
  843   2HD2  LEU 113          HD22      LEU 113  12.680   2.756   7.636
  844   3HD2  LEU 113          HD23      LEU 113  11.892   1.264   7.018
  845    H    GLU 114           HN       GLU 114  12.401   1.859   2.892
  846    HA   GLU 114           HA       GLU 114  12.412   4.577   1.783
  847   1HB   GLU 114          HB1       GLU 114  14.586   2.857   2.162
  848   2HB   GLU 114          HB2       GLU 114  14.539   3.427   0.458
  849   1HG   GLU 114          HG2       GLU 114  14.040   5.815   1.336
  850   2HG   GLU 114          HG1       GLU 114  14.222   5.124   3.022
  851    H    GLN 115           HN       GLN 115  10.741   1.967   0.831
  852    HA   GLN 115           HA       GLN 115  10.234   3.074  -1.840
  853   1HB   GLN 115          HB2       GLN 115   8.271   1.115  -0.660
  854   2HB   GLN 115          HB1       GLN 115   8.882   1.354  -2.369
  855   1HG   GLN 115          HG1       GLN 115  10.148  -0.137   0.014
  856   2HG   GLN 115          HG2       GLN 115   9.567  -0.829  -1.544
  857   1HE2  GLN 115          HE21      GLN 115  10.891   0.741  -3.474
  858   2HE2  GLN 115          HE22      GLN 115  12.286  -0.273  -3.320
  859    H    GLY 116           HN       GLY 116   8.792   2.874   1.439
  860   1HA   GLY 116          HA2       GLY 116   6.405   4.286   1.043
  861   2HA   GLY 116          HA1       GLY 116   7.249   3.869   2.521
  862    H    ASN 117           HN       ASN 117   9.573   5.397   2.514
  863    HA   ASN 117           HA       ASN 117   8.586   8.096   2.775
  864   1HB   ASN 117          HB1       ASN 117  11.500   7.469   3.146
  865   2HB   ASN 117          HB2       ASN 117  10.535   8.837   3.782
  866   1HD2  ASN 117          HD21      ASN 117   8.246   7.438   4.942
  867   2HD2  ASN 117          HD22      ASN 117   8.954   6.595   6.308
  868    H    ARG 118           HN       ARG 118  10.174   6.446   0.104
  869    HA   ARG 118           HA       ARG 118  11.378   8.701  -1.022
  870   1HB   ARG 118          HB1       ARG 118  11.576   7.572  -3.106
  871   2HB   ARG 118          HB2       ARG 118  11.996   6.481  -1.772
  872   1HG   ARG 118          HG2       ARG 118  10.474   4.974  -2.441
  873   2HG   ARG 118          HG1       ARG 118   9.119   6.151  -2.390
  874   1HD   ARG 118          HD1       ARG 118   9.298   5.186  -4.640
  875   2HD   ARG 118          HD2       ARG 118   9.839   6.926  -4.736
  876    HE   ARG 118           HE       ARG 118  12.110   5.178  -4.220
  877   1HH1  ARG 118          HH11      ARG 118   9.845   6.052  -6.846
  878   2HH1  ARG 118          HH12      ARG 118  10.947   5.633  -8.115
  879   1HH2  ARG 118          HH21      ARG 118  13.570   4.614  -5.943
  880   2HH2  ARG 118          HH22      ARG 118  13.089   4.805  -7.595
  881    H    LEU 119           HN       LEU 119   8.146   7.374  -1.014
  882    HA   LEU 119           HA       LEU 119   6.722   9.134  -2.895
  883   1HB   LEU 119          HB2       LEU 119   6.169   6.535  -2.536
  884   2HB   LEU 119          HB1       LEU 119   5.607   6.975  -0.967
  885    HG   LEU 119           HG       LEU 119   4.553   8.635  -3.284
  886   1HD1  LEU 119          HD11      LEU 119   4.354   6.146  -4.185
  887   2HD1  LEU 119          HD12      LEU 119   2.809   7.012  -3.947
  888   3HD1  LEU 119          HD13      LEU 119   3.353   5.859  -2.708
  889   1HD2  LEU 119          HD21      LEU 119   3.591   8.915  -1.024
  890   2HD2  LEU 119          HD22      LEU 119   3.364   7.111  -0.887
  891   3HD2  LEU 119          HD23      LEU 119   2.381   8.065  -2.062
  892    H    ARG 120           HN       ARG 120   7.079   8.650   0.665
  893    HA   ARG 120           HA       ARG 120   4.802   9.606   1.229
  894   1HB   ARG 120          HB1       ARG 120   5.702   9.988   3.660
  895   2HB   ARG 120          HB2       ARG 120   6.755   8.706   2.994
  896   1HG   ARG 120          HG2       ARG 120   8.500  10.528   2.640
  897   2HG   ARG 120          HG1       ARG 120   7.363  11.754   3.292
  898   1HD   ARG 120          HD2       ARG 120   7.226  10.670   5.467
  899   2HD   ARG 120          HD1       ARG 120   8.308   9.334   4.890
  900    HE   ARG 120           HE       ARG 120   9.533  11.950   4.441
  901   1HH1  ARG 120          HH11      ARG 120   8.861   9.561   7.017
  902   2HH1  ARG 120          HH12      ARG 120  10.181  10.072   8.017
  903   1HH2  ARG 120          HH21      ARG 120  11.298  12.618   5.801
  904   2HH2  ARG 120          HH22      ARG 120  11.583  11.829   7.318
  905    H    GLU 121           HN       GLU 121   7.288  11.858   0.607
  906    HA   GLU 121           HA       GLU 121   5.898  14.243   1.456
  907   1HB   GLU 121          HB1       GLU 121   8.140  15.234   0.593
  908   2HB   GLU 121          HB2       GLU 121   8.193  14.166   2.022
  909   1HG   GLU 121          HG1       GLU 121   9.040  12.228   0.752
  910   2HG   GLU 121          HG2       GLU 121   8.830  13.124  -0.808
  911    H    GLN 122           HN       GLN 122   6.025  12.272  -1.436
  912    HA   GLN 122           HA       GLN 122   5.236  14.544  -3.121
  913   1HB   GLN 122          HB1       GLN 122   5.780  13.132  -5.112
  914   2HB   GLN 122          HB2       GLN 122   7.133  13.794  -4.166
  915   1HG   GLN 122          HG1       GLN 122   7.572  11.566  -3.136
  916   2HG   GLN 122          HG2       GLN 122   6.211  10.841  -4.086
  917   1HE2  GLN 122          HE21      GLN 122   9.199  10.250  -4.127
  918   2HE2  GLN 122          HE22      GLN 122   9.669  10.486  -5.819
  919    H    TYR 123           HN       TYR 123   4.151  11.052  -2.328
  920    HA   TYR 123           HA       TYR 123   1.602  12.057  -3.698
  921   1HB   TYR 123          HB1       TYR 123   2.515   9.174  -3.971
  922   2HB   TYR 123          HB2       TYR 123   1.256  10.021  -4.910
  923    HD1  TYR 123           HD1      TYR 123   2.620  12.426  -5.941
  924    HD2  TYR 123           HD2      TYR 123   4.109   8.486  -5.313
  925    HE1  TYR 123           HE1      TYR 123   4.394  12.797  -7.582
  926    HE2  TYR 123           HE2      TYR 123   5.844   8.840  -6.848
  927    HH   TYR 123           HH       TYR 123   6.947  11.459  -7.751
  928    H    GLY 124           HN       GLY 124   2.256  10.871  -0.324
  929   1HA   GLY 124          HA2       GLY 124  -0.393  10.051  -0.166
  930   2HA   GLY 124          HA1       GLY 124   0.596   8.608  -0.725
  931    H    LEU 125           HN       LEU 125   2.655   8.424   0.443
  932    HA   LEU 125           HA       LEU 125   2.183   7.644   2.894
  933   1HB   LEU 125          HB1       LEU 125   4.325   7.326   1.100
  934   2HB   LEU 125          HB2       LEU 125   5.026   7.473   2.706
  935    HG   LEU 125           HG       LEU 125   4.838   5.347   2.706
  936   1HD1  LEU 125          HD11      LEU 125   2.082   6.039   4.009
  937   2HD1  LEU 125          HD12      LEU 125   3.657   6.026   4.764
  938   3HD1  LEU 125          HD13      LEU 125   2.976   4.497   4.074
  939   1HD2  LEU 125          HD21      LEU 125   3.955   5.289   0.450
  940   2HD2  LEU 125          HD22      LEU 125   2.305   5.768   1.045
  941   3HD2  LEU 125          HD23      LEU 125   3.051   4.132   1.433
  942    H    GLY 126           HN       GLY 126   2.069  10.653   2.989
  943   1HA   GLY 126          HA2       GLY 126   2.095  10.304   5.802
  944   2HA   GLY 126          HA1       GLY 126   3.637  11.136   5.413
  945    HA   PRO 127           HA       PRO 127   0.551  14.630   5.158
  946   1HB   PRO 127          HB2       PRO 127  -2.008  14.499   6.029
  947   2HB   PRO 127          HB1       PRO 127  -1.538  13.674   4.494
  948   1HG   PRO 127          HG2       PRO 127  -1.770  12.418   7.278
  949   2HG   PRO 127          HG1       PRO 127  -2.590  11.897   5.778
  950   1HD   PRO 127          HD1       PRO 127  -0.085  10.831   6.622
  951   2HD   PRO 127          HD2       PRO 127  -0.533  10.967   4.861
  952    H    TYR 128           HN       TYR 128   1.223  12.648   7.844
  953    HA   TYR 128           HA       TYR 128   1.168  14.868   9.794
  954   1HB   TYR 128          HB1       TYR 128  -0.430  12.826  10.183
  955   2HB   TYR 128          HB2       TYR 128   1.035  11.825  10.369
  956    HD1  TYR 128           HD1      TYR 128  -1.086  14.434  11.826
  957    HD2  TYR 128           HD2      TYR 128   2.499  12.177  12.341
  958    HE1  TYR 128           HE1      TYR 128  -0.960  15.151  14.175
  959    HE2  TYR 128           HE2      TYR 128   2.627  12.901  14.675
  960    HH   TYR 128           HH       TYR 128   1.591  14.053  16.366
  961    H    GLU 129           HN       GLU 129   3.305  15.501  10.394
  962    HA   GLU 129           HA       GLU 129   5.467  13.592  10.294
  963   1HB   GLU 129          HB2       GLU 129   5.188  14.463   7.872
  964   2HB   GLU 129          HB1       GLU 129   5.506  16.104   8.477
  965   1HG   GLU 129          HG2       GLU 129   7.543  15.161   7.477
  966   2HG   GLU 129          HG1       GLU 129   7.821  15.319   9.246
  Start of MODEL    8
    1    H    ASN   7           HN       ASN   7 -15.270  15.184  -3.964
    2    HA   ASN   7           HA       ASN   7 -14.941  17.180  -2.637
    3   1HB   ASN   7          HB2       ASN   7 -16.933  16.983  -0.978
    4   2HB   ASN   7          HB1       ASN   7 -17.267  16.597  -2.694
    5   1HD2  ASN   7          HD21      ASN   7 -18.870  15.148  -2.580
    6   2HD2  ASN   7          HD22      ASN   7 -18.797  13.619  -1.657
    7    H    SER   8           HN       SER   8 -13.665  14.346  -1.522
    8    HA   SER   8           HA       SER   8 -11.919  15.347   0.401
    9   1HB   SER   8          HB1       SER   8 -14.386  13.795   1.484
   10   2HB   SER   8          HB2       SER   8 -12.845  13.948   2.411
   11    HG   SER   8           HG       SER   8 -14.122  16.268   1.424
   12    H    PHE   9           HN       PHE   9 -11.114  12.738   1.416
   13    HA   PHE   9           HA       PHE   9 -10.811  11.191  -1.087
   14   1HB   PHE   9          HB2       PHE   9  -8.968  11.374   1.335
   15   2HB   PHE   9          HB1       PHE   9  -8.982   9.989   0.222
   16    HD1  PHE   9           HD1      PHE   9  -9.795  12.750  -1.933
   17    HD2  PHE   9           HD2      PHE   9  -6.656  10.948   0.342
   18    HE1  PHE   9           HE1      PHE   9  -8.214  13.640  -3.448
   19    HE2  PHE   9           HE2      PHE   9  -5.034  11.852  -1.224
   20    HZ   PHE   9           HZ       PHE   9  -5.776  13.240  -3.143
   21    H    VAL  10           HN       VAL  10 -13.017  11.114  -0.634
   22    HA   VAL  10           HA       VAL  10 -13.763   8.514   0.383
   23    HB   VAL  10           HB       VAL  10 -15.792   9.331   0.563
   24   1HG1  VAL  10          HG21      VAL  10 -14.447  11.478   1.017
   25   2HG1  VAL  10          HG22      VAL  10 -16.092  11.786   0.379
   26   3HG1  VAL  10          HG23      VAL  10 -14.694  11.915  -0.730
   27   1HG2  VAL  10          HG11      VAL  10 -15.682  10.309  -2.367
   28   2HG2  VAL  10          HG12      VAL  10 -17.110  10.441  -1.266
   29   3HG2  VAL  10          HG13      VAL  10 -16.504   8.818  -1.743
   30    H    GLY  11           HN       GLY  11 -11.825   8.927  -2.257
   31   1HA   GLY  11          HA2       GLY  11 -12.567   6.363  -3.228
   32   2HA   GLY  11          HA1       GLY  11 -12.740   7.803  -4.420
   33    H    LEU  12           HN       LEU  12 -10.363   7.376  -1.764
   34    HA   LEU  12           HA       LEU  12  -8.170   7.410  -3.758
   35   1HB   LEU  12          HB1       LEU  12  -7.911   9.340  -2.521
   36   2HB   LEU  12          HB2       LEU  12  -8.316   8.553  -0.964
   37    HG   LEU  12           HG       LEU  12  -5.869   9.281  -1.084
   38   1HD1  LEU  12          HD11      LEU  12  -5.643   6.649  -0.179
   39   2HD1  LEU  12          HD12      LEU  12  -7.355   7.004  -0.016
   40   3HD1  LEU  12          HD13      LEU  12  -6.178   8.137   0.704
   41   1HD2  LEU  12          HD21      LEU  12  -5.047   7.079  -2.860
   42   2HD2  LEU  12          HD22      LEU  12  -4.280   8.520  -2.198
   43   3HD2  LEU  12          HD23      LEU  12  -5.541   8.734  -3.431
   44    H    ARG  13           HN       ARG  13  -6.206   6.185  -2.953
   45    HA   ARG  13           HA       ARG  13  -6.886   3.334  -2.449
   46   1HB   ARG  13          HB1       ARG  13  -6.169   3.572  -4.788
   47   2HB   ARG  13          HB2       ARG  13  -4.892   4.744  -4.329
   48   1HG   ARG  13          HG2       ARG  13  -3.826   2.679  -4.978
   49   2HG   ARG  13          HG1       ARG  13  -3.545   2.956  -3.255
   50   1HD   ARG  13          HD1       ARG  13  -3.994   0.611  -3.398
   51   2HD   ARG  13          HD2       ARG  13  -5.548   1.301  -2.810
   52    HE   ARG  13           HE       ARG  13  -6.581   0.824  -4.882
   53   1HH1  ARG  13          HH11      ARG  13  -3.068   0.186  -5.147
   54   2HH1  ARG  13          HH12      ARG  13  -3.209  -0.681  -6.642
   55   1HH2  ARG  13          HH21      ARG  13  -6.738  -0.346  -6.882
   56   2HH2  ARG  13          HH22      ARG  13  -5.315  -0.987  -7.636
   57    H    VAL  14           HN       VAL  14  -5.892   2.592  -0.492
   58    HA   VAL  14           HA       VAL  14  -3.886   4.435   0.598
   59    HB   VAL  14           HB       VAL  14  -4.403   4.106   2.826
   60   1HG1  VAL  14          HG21      VAL  14  -6.768   4.852   1.026
   61   2HG1  VAL  14          HG22      VAL  14  -5.558   5.930   1.846
   62   3HG1  VAL  14          HG23      VAL  14  -6.773   5.052   2.823
   63   1HG2  VAL  14          HG11      VAL  14  -5.257   1.808   2.916
   64   2HG2  VAL  14          HG12      VAL  14  -6.726   2.321   1.954
   65   3HG2  VAL  14          HG13      VAL  14  -6.449   2.954   3.587
   66    H    VAL  15           HN       VAL  15  -2.542   3.552   2.267
   67    HA   VAL  15           HA       VAL  15  -1.345   0.962   1.536
   68    HB   VAL  15           HB       VAL  15  -0.267   3.098   0.682
   69   1HG1  VAL  15          HG11      VAL  15   1.068   4.502   2.105
   70   2HG1  VAL  15          HG12      VAL  15   0.594   3.578   3.553
   71   3HG1  VAL  15          HG13      VAL  15  -0.629   4.521   2.662
   72   1HG2  VAL  15          HG21      VAL  15   1.231   1.101   2.523
   73   2HG2  VAL  15          HG22      VAL  15   2.036   2.134   1.279
   74   3HG2  VAL  15          HG23      VAL  15   0.822   0.866   0.796
   75    H    ALA  16           HN       ALA  16  -1.359  -0.377   3.295
   76    HA   ALA  16           HA       ALA  16  -2.518   0.786   5.709
   77   1HB   ALA  16          HB1       ALA  16  -3.874  -0.674   4.224
   78   2HB   ALA  16          HB2       ALA  16  -3.600  -1.467   5.799
   79   3HB   ALA  16          HB3       ALA  16  -2.675  -1.985   4.329
   80    H    LYS  17           HN       LYS  17  -0.885   1.092   7.344
   81    HA   LYS  17           HA       LYS  17   0.952  -1.144   7.946
   82   1HB   LYS  17          HB2       LYS  17   1.579   1.890   8.087
   83   2HB   LYS  17          HB1       LYS  17   2.735   0.556   8.245
   84   1HG   LYS  17          HG1       LYS  17   3.220   1.038   5.928
   85   2HG   LYS  17          HG2       LYS  17   1.693   0.095   5.772
   86   1HD   LYS  17          HD2       LYS  17   1.586   2.075   4.475
   87   2HD   LYS  17          HD1       LYS  17   0.334   2.114   5.738
   88   1HE   LYS  17          HE2       LYS  17   2.215   3.512   7.149
   89   2HE   LYS  17          HE1       LYS  17   2.916   3.554   5.487
   90   1HZ   LYS  17          HZ1       LYS  17   1.512   5.494   6.069
   91   2HZ   LYS  17          HZ2       LYS  17   0.180   4.466   6.304
   92   3HZ   LYS  17          HZ3       LYS  17   0.866   4.628   4.759
   93    H    TRP  18           HN       TRP  18  -0.528  -1.707   9.938
   94    HA   TRP  18           HA       TRP  18  -1.469   0.541  11.461
   95   1HB   TRP  18          HB2       TRP  18  -2.779  -1.424  10.982
   96   2HB   TRP  18          HB1       TRP  18  -1.735  -2.413  12.039
   97    HD1  TRP  18           HD1      TRP  18  -3.726  -3.164  13.403
   98    HE1  TRP  18           HE1      TRP  18  -5.677  -2.071  14.648
   99    HE3  TRP  18           HE3      TRP  18  -2.543   1.808  12.707
  100    HZ2  TRP  18           HZ2      TRP  18  -6.491   0.471  15.429
  101    HZ3  TRP  18           HZ3      TRP  18  -4.030   3.451  13.633
  102    HH2  TRP  18           HH2      TRP  18  -6.009   2.823  14.936
  103    H    SER  19           HN       SER  19   1.225  -1.793  12.215
  104    HA   SER  19           HA       SER  19   1.762  -0.217  14.670
  105   1HB   SER  19          HB1       SER  19   3.184  -2.096  15.431
  106   2HB   SER  19          HB2       SER  19   1.484  -2.602  15.170
  107    HG   SER  19           HG       SER  19   3.748  -3.156  13.480
  108    H    SER  20           HN       SER  20   3.856   1.001  14.711
  109    HA   SER  20           HA       SER  20   4.935   1.287  12.020
  110   1HB   SER  20          HB1       SER  20   6.385   3.026  13.144
  111   2HB   SER  20          HB2       SER  20   4.618   3.250  13.347
  112    HG   SER  20           HG       SER  20   6.311   1.991  15.241
  113    H    ASN  21           HN       ASN  21   6.021  -0.332  11.345
  114    HA   ASN  21           HA       ASN  21   8.451  -1.417  12.717
  115   1HB   ASN  21          HB1       ASN  21   6.319  -2.628  10.797
  116   2HB   ASN  21          HB2       ASN  21   7.868  -3.499  11.124
  117   1HD2  ASN  21          HD21      ASN  21   8.102  -4.655  13.002
  118   2HD2  ASN  21          HD22      ASN  21   6.782  -4.896  14.140
  119    H    GLY  22           HN       GLY  22   6.987  -0.143   9.812
  120   1HA   GLY  22          HA2       GLY  22   8.151   0.580   7.946
  121   2HA   GLY  22          HA1       GLY  22   9.506  -0.546   8.305
  122    H    TYR  23           HN       TYR  23   5.943  -1.265   8.211
  123    HA   TYR  23           HA       TYR  23   6.322  -3.105   5.950
  124   1HB   TYR  23          HB1       TYR  23   5.218  -3.111   8.758
  125   2HB   TYR  23          HB2       TYR  23   4.547  -4.406   7.631
  126    HD1  TYR  23           HD1      TYR  23   7.548  -4.690   6.274
  127    HD2  TYR  23           HD2      TYR  23   5.813  -5.158  10.160
  128    HE1  TYR  23           HE1      TYR  23   9.248  -6.285   6.824
  129    HE2  TYR  23           HE2      TYR  23   7.560  -6.798  10.702
  130    HH   TYR  23           HH       TYR  23  10.057  -7.728   8.319
  131    H    PHE  24           HN       PHE  24   5.052  -2.538   4.371
  132    HA   PHE  24           HA       PHE  24   2.553  -1.135   4.817
  133   1HB   PHE  24          HB1       PHE  24   4.671  -0.928   2.687
  134   2HB   PHE  24          HB2       PHE  24   3.146   0.042   2.592
  135    HD1  PHE  24           HD1      PHE  24   3.634   2.271   2.987
  136    HD2  PHE  24           HD2      PHE  24   6.177  -0.616   4.702
  137    HE1  PHE  24           HE1      PHE  24   4.781   3.975   4.480
  138    HE2  PHE  24           HE2      PHE  24   7.079   0.971   6.248
  139    HZ   PHE  24           HZ       PHE  24   6.278   3.187   6.286
  140    H    TYR  25           HN       TYR  25   0.833  -2.314   4.556
  141    HA   TYR  25           HA       TYR  25   0.685  -4.216   2.394
  142   1HB   TYR  25          HB1       TYR  25  -1.232  -3.705   4.737
  143   2HB   TYR  25          HB2       TYR  25  -1.251  -5.112   3.610
  144    HD1  TYR  25           HD1      TYR  25  -0.073  -7.059   4.213
  145    HD2  TYR  25           HD2      TYR  25   0.894  -3.439   6.277
  146    HE1  TYR  25           HE1      TYR  25   1.196  -8.301   5.890
  147    HE2  TYR  25           HE2      TYR  25   2.181  -4.661   7.868
  148    HH   TYR  25           HH       TYR  25   2.650  -6.669   8.725
  149    H    SER  26           HN       SER  26  -1.818  -4.233   1.793
  150    HA   SER  26           HA       SER  26  -2.245  -1.738   0.286
  151   1HB   SER  26          HB1       SER  26  -1.688  -3.931  -0.805
  152   2HB   SER  26          HB2       SER  26  -3.107  -4.613   0.075
  153    HG   SER  26           HG       SER  26  -4.417  -3.104  -1.205
  154    H    GLY  27           HN       GLY  27  -4.031  -0.581   0.453
  155   1HA   GLY  27          HA2       GLY  27  -6.346  -1.524   1.962
  156   2HA   GLY  27          HA1       GLY  27  -5.462  -0.034   2.411
  157    H    LYS  28           HN       LYS  28  -8.108  -0.047   1.959
  158    HA   LYS  28           HA       LYS  28  -8.369   1.521  -0.551
  159   1HB   LYS  28          HB2       LYS  28 -10.673   0.654  -0.973
  160   2HB   LYS  28          HB1       LYS  28  -9.282  -0.400  -1.309
  161   1HG   LYS  28          HG2       LYS  28  -9.677  -1.607   0.896
  162   2HG   LYS  28          HG1       LYS  28 -11.071  -0.535   1.229
  163   1HD   LYS  28          HD1       LYS  28 -12.144  -1.367  -0.935
  164   2HD   LYS  28          HD2       LYS  28 -10.760  -2.516  -1.112
  165   1HE   LYS  28          HE2       LYS  28 -11.369  -3.619   1.048
  166   2HE   LYS  28          HE1       LYS  28 -12.786  -2.500   1.215
  167   1HZ   LYS  28          HZ1       LYS  28 -13.398  -4.613   0.287
  168   2HZ   LYS  28          HZ2       LYS  28 -12.314  -4.421  -1.006
  169   3HZ   LYS  28          HZ3       LYS  28 -13.644  -3.375  -0.849
  170    H    ILE  29           HN       ILE  29  -9.777   3.660  -0.326
  171    HA   ILE  29           HA       ILE  29 -10.361   4.049   2.526
  172    HB   ILE  29           HB       ILE  29  -8.765   5.384   0.996
  173   1HG1  ILE  29          HG12      ILE  29 -10.719   6.849   2.850
  174   2HG1  ILE  29          HG11      ILE  29  -9.373   5.809   3.428
  175   1HG2  ILE  29          HG21      ILE  29 -11.429   6.856   0.469
  176   2HG2  ILE  29          HG22      ILE  29 -10.628   5.803  -0.730
  177   3HG2  ILE  29          HG23      ILE  29  -9.791   7.285  -0.097
  178   1HD1  ILE  29          HD11      ILE  29  -7.696   7.293   2.338
  179   2HD1  ILE  29          HD12      ILE  29  -8.807   8.240   3.397
  180   3HD1  ILE  29          HD13      ILE  29  -9.017   8.298   1.627
  181    H    THR  30           HN       THR  30 -12.223   5.091   3.264
  182    HA   THR  30           HA       THR  30 -14.619   4.859   1.509
  183    HB   THR  30           HB       THR  30 -14.688   4.834   4.554
  184    HG1  THR  30           HG1      THR  30 -14.954   2.651   2.793
  185   1HG2  THR  30          HG21      THR  30 -16.723   4.094   2.329
  186   2HG2  THR  30          HG22      THR  30 -16.836   5.522   3.417
  187   3HG2  THR  30          HG23      THR  30 -16.974   3.865   4.103
  188    H    ARG  31           HN       ARG  31 -12.920   7.059   4.002
  189    HA   ARG  31           HA       ARG  31 -14.172   9.324   2.706
  190   1HB   ARG  31          HB1       ARG  31 -14.629   8.729   5.739
  191   2HB   ARG  31          HB2       ARG  31 -15.065  10.251   4.886
  192   1HG   ARG  31          HG2       ARG  31 -16.821   8.978   3.598
  193   2HG   ARG  31          HG1       ARG  31 -16.353   7.493   4.509
  194   1HD   ARG  31          HD2       ARG  31 -18.317   8.455   5.594
  195   2HD   ARG  31          HD1       ARG  31 -16.865   8.633   6.684
  196    HE   ARG  31           HE       ARG  31 -17.152  10.993   5.013
  197   1HH1  ARG  31          HH11      ARG  31 -18.706   9.395   7.809
  198   2HH1  ARG  31          HH12      ARG  31 -19.307  10.872   8.486
  199   1HH2  ARG  31          HH21      ARG  31 -17.968  12.962   5.941
  200   2HH2  ARG  31          HH22      ARG  31 -18.884  12.924   7.411
  201    H    ASP  32           HN       ASP  32 -13.120  11.346   4.054
  202    HA   ASP  32           HA       ASP  32 -10.389  10.653   4.939
  203   1HB   ASP  32          HB2       ASP  32 -10.700  12.286   3.026
  204   2HB   ASP  32          HB1       ASP  32 -11.589  13.379   4.134
  205    H    VAL  33           HN       VAL  33  -9.820  11.030   7.141
  206    HA   VAL  33           HA       VAL  33 -11.831  12.342   8.873
  207    HB   VAL  33           HB       VAL  33 -10.659  11.092  10.811
  208   1HG1  VAL  33          HG21      VAL  33 -13.034  11.051  10.201
  209   2HG1  VAL  33          HG22      VAL  33 -12.455   9.407  10.656
  210   3HG1  VAL  33          HG23      VAL  33 -12.704   9.822   8.924
  211   1HG2  VAL  33          HG11      VAL  33 -10.409   8.736   8.869
  212   2HG2  VAL  33          HG12      VAL  33  -9.671   8.902  10.438
  213   3HG2  VAL  33          HG13      VAL  33  -8.972   9.779   9.114
  214    H    GLY  34           HN       GLY  34 -11.329  14.179   9.724
  215   1HA   GLY  34          HA2       GLY  34 -10.380  16.160   9.861
  216   2HA   GLY  34          HA1       GLY  34  -9.436  15.223  11.057
  217    H    ALA  35           HN       ALA  35  -7.389  15.859  11.143
  218    HA   ALA  35           HA       ALA  35  -5.970  16.833   8.710
  219   1HB   ALA  35          HB1       ALA  35  -5.461  17.245  11.746
  220   2HB   ALA  35          HB2       ALA  35  -6.198  18.475  10.658
  221   3HB   ALA  35          HB3       ALA  35  -4.491  17.969  10.409
  222    H    GLY  36           HN       GLY  36  -5.015  15.426   7.722
  223   1HA   GLY  36          HA2       GLY  36  -3.507  13.980   7.136
  224   2HA   GLY  36          HA1       GLY  36  -2.797  14.050   8.785
  225    H    LYS  37           HN       LYS  37  -6.164  12.964   8.560
  226    HA   LYS  37           HA       LYS  37  -5.249  10.176   8.796
  227   1HB   LYS  37          HB1       LYS  37  -7.406   9.887  10.357
  228   2HB   LYS  37          HB2       LYS  37  -5.831  10.253  10.890
  229   1HG   LYS  37          HG2       LYS  37  -6.034  11.992  11.921
  230   2HG   LYS  37          HG1       LYS  37  -6.869  12.847  10.637
  231   1HD   LYS  37          HD1       LYS  37  -9.035  11.929  11.535
  232   2HD   LYS  37          HD2       LYS  37  -8.154  10.661  12.438
  233   1HE   LYS  37          HE2       LYS  37  -9.033  12.377  13.962
  234   2HE   LYS  37          HE1       LYS  37  -7.215  12.417  13.985
  235   1HZ   LYS  37          HZ1       LYS  37  -8.979  14.259  12.466
  236   2HZ   LYS  37          HZ2       LYS  37  -7.281  14.276  12.478
  237   3HZ   LYS  37          HZ3       LYS  37  -8.144  14.607  13.904
  238    H    TYR  38           HN       TYR  38  -6.990   8.600   8.320
  239    HA   TYR  38           HA       TYR  38  -8.570   9.302   5.939
  240   1HB   TYR  38          HB1       TYR  38  -6.229   7.289   6.138
  241   2HB   TYR  38          HB2       TYR  38  -7.344   7.325   4.745
  242    HD1  TYR  38           HD1      TYR  38  -4.379   8.611   6.159
  243    HD2  TYR  38           HD2      TYR  38  -7.513   9.836   3.608
  244    HE1  TYR  38           HE1      TYR  38  -2.927  10.422   5.311
  245    HE2  TYR  38           HE2      TYR  38  -6.172  11.720   2.855
  246    HH   TYR  38           HH       TYR  38  -4.361  12.959   3.151
  247    H    LYS  39           HN       LYS  39 -10.535   7.762   5.746
  248    HA   LYS  39           HA       LYS  39 -10.850   5.830   8.027
  249   1HB   LYS  39          HB1       LYS  39 -12.562   7.443   8.428
  250   2HB   LYS  39          HB2       LYS  39 -12.646   7.926   6.713
  251   1HG   LYS  39          HG1       LYS  39 -14.717   6.837   7.304
  252   2HG   LYS  39          HG2       LYS  39 -13.826   5.820   6.125
  253   1HD   LYS  39          HD2       LYS  39 -13.080   4.314   8.041
  254   2HD   LYS  39          HD1       LYS  39 -14.112   5.275   9.152
  255   1HE   LYS  39          HE2       LYS  39 -15.076   3.827   6.581
  256   2HE   LYS  39          HE1       LYS  39 -15.231   3.155   8.256
  257   1HZ   LYS  39          HZ1       LYS  39 -16.452   5.673   7.255
  258   2HZ   LYS  39          HZ2       LYS  39 -16.599   5.045   8.826
  259   3HZ   LYS  39          HZ3       LYS  39 -17.246   4.192   7.507
  260    H    LEU  40           HN       LEU  40 -10.420   4.063   7.493
  261    HA   LEU  40           HA       LEU  40 -10.676   3.380   4.587
  262   1HB   LEU  40          HB1       LEU  40  -8.325   2.884   4.489
  263   2HB   LEU  40          HB2       LEU  40  -8.452   4.433   5.360
  264    HG   LEU  40           HG       LEU  40  -7.007   3.470   6.724
  265   1HD1  LEU  40          HD11      LEU  40  -9.289   2.238   8.165
  266   2HD1  LEU  40          HD12      LEU  40  -8.716   3.995   8.237
  267   3HD1  LEU  40          HD13      LEU  40  -7.664   2.646   8.796
  268   1HD2  LEU  40          HD21      LEU  40  -7.114   1.200   5.230
  269   2HD2  LEU  40          HD22      LEU  40  -8.204   0.622   6.517
  270   3HD2  LEU  40          HD23      LEU  40  -6.550   1.035   6.968
  271    H    LEU  41           HN       LEU  41 -10.184   1.131   3.962
  272    HA   LEU  41           HA       LEU  41 -10.392  -0.739   6.214
  273   1HB   LEU  41          HB2       LEU  41 -12.474  -0.136   5.436
  274   2HB   LEU  41          HB1       LEU  41 -12.156  -0.620   3.719
  275    HG   LEU  41           HG       LEU  41 -12.125  -2.553   6.156
  276   1HD1  LEU  41          HD11      LEU  41 -14.412  -1.447   5.725
  277   2HD1  LEU  41          HD12      LEU  41 -14.416  -3.231   5.478
  278   3HD1  LEU  41          HD13      LEU  41 -14.392  -2.122   4.056
  279   1HD2  LEU  41          HD21      LEU  41 -11.094  -3.817   4.583
  280   2HD2  LEU  41          HD22      LEU  41 -11.671  -2.849   3.182
  281   3HD2  LEU  41          HD23      LEU  41 -12.749  -4.091   3.930
  282    H    PHE  42           HN       PHE  42  -8.844  -2.423   6.028
  283    HA   PHE  42           HA       PHE  42  -6.861  -2.049   3.870
  284   1HB   PHE  42          HB2       PHE  42  -7.262  -4.526   5.772
  285   2HB   PHE  42          HB1       PHE  42  -5.910  -4.497   4.564
  286    HD1  PHE  42           HD1      PHE  42  -4.224  -4.786   6.002
  287    HD2  PHE  42           HD2      PHE  42  -6.952  -1.604   6.984
  288    HE1  PHE  42           HE1      PHE  42  -2.718  -4.004   7.768
  289    HE2  PHE  42           HE2      PHE  42  -5.453  -0.889   8.710
  290    HZ   PHE  42           HZ       PHE  42  -3.302  -2.014   9.079
  291    H    ASP  43           HN       ASP  43  -6.400  -3.926   2.025
  292    HA   ASP  43           HA       ASP  43  -9.009  -4.439   0.913
  293   1HB   ASP  43          HB2       ASP  43  -6.209  -5.218   0.092
  294   2HB   ASP  43          HB1       ASP  43  -7.627  -5.834  -0.838
  295    H    ASP  44           HN       ASP  44  -7.471  -6.072   3.277
  296    HA   ASP  44           HA       ASP  44  -8.703  -8.706   2.927
  297   1HB   ASP  44          HB1       ASP  44  -7.194  -9.457   4.805
  298   2HB   ASP  44          HB2       ASP  44  -6.350  -8.886   3.335
  299    H    GLY  45           HN       GLY  45  -9.735  -5.733   4.372
  300   1HA   GLY  45          HA2       GLY  45 -11.816  -5.659   5.199
  301   2HA   GLY  45          HA1       GLY  45 -11.687  -7.313   5.953
  302    H    TYR  46           HN       TYR  46  -9.076  -5.206   6.839
  303    HA   TYR  46           HA       TYR  46 -10.307  -4.861   9.499
  304   1HB   TYR  46          HB1       TYR  46  -7.918  -5.765   9.225
  305   2HB   TYR  46          HB2       TYR  46  -7.422  -4.146   8.645
  306    HD1  TYR  46           HD1      TYR  46  -7.529  -2.157  10.321
  307    HD2  TYR  46           HD2      TYR  46  -8.278  -6.205  11.514
  308    HE1  TYR  46           HE1      TYR  46  -7.193  -1.543  12.634
  309    HE2  TYR  46           HE2      TYR  46  -7.886  -5.578  13.840
  310    HH   TYR  46           HH       TYR  46  -7.356  -3.909  15.300
  311    H    GLU  47           HN       GLU  47 -11.716  -3.070   9.531
  312    HA   GLU  47           HA       GLU  47 -10.753  -0.572   8.303
  313   1HB   GLU  47          HB1       GLU  47 -12.756  -1.042   7.263
  314   2HB   GLU  47          HB2       GLU  47 -13.589  -1.634   8.648
  315   1HG   GLU  47          HG2       GLU  47 -12.685   1.360   8.281
  316   2HG   GLU  47          HG1       GLU  47 -14.127   0.690   7.412
  317    H    CYS  48           HN       CYS  48 -10.959   1.416   9.266
  318    HA   CYS  48           HA       CYS  48 -11.842   1.691  11.974
  319   1HB   CYS  48          HB1       CYS  48  -9.594   0.340  12.269
  320   2HB   CYS  48          HB2       CYS  48  -8.762   1.756  11.573
  321    HG   CYS  48           HG       CYS  48  -9.093   3.337  13.503
  322    H    ASP  49           HN       ASP  49 -10.823   4.089  12.607
  323    HA   ASP  49           HA       ASP  49 -10.118   5.483  10.065
  324   1HB   ASP  49          HB2       ASP  49 -10.446   7.570  12.023
  325   2HB   ASP  49          HB1       ASP  49 -11.538   7.227  10.656
  326    H    VAL  50           HN       VAL  50  -7.961   6.410  10.345
  327    HA   VAL  50           HA       VAL  50  -6.647   6.029  12.931
  328    HB   VAL  50           HB       VAL  50  -4.794   4.719  11.702
  329   1HG1  VAL  50          HG21      VAL  50  -5.919   2.575  11.498
  330   2HG1  VAL  50          HG22      VAL  50  -7.486   3.395  11.148
  331   3HG1  VAL  50          HG23      VAL  50  -6.773   3.501  12.801
  332   1HG2  VAL  50          HG11      VAL  50  -5.705   3.744   9.406
  333   2HG2  VAL  50          HG12      VAL  50  -4.937   5.383   9.391
  334   3HG2  VAL  50          HG13      VAL  50  -6.725   5.228   9.309
  335    H    LEU  51           HN       LEU  51  -4.326   7.034  12.780
  336    HA   LEU  51           HA       LEU  51  -4.378   9.233  10.868
  337   1HB   LEU  51          HB1       LEU  51  -2.701   8.665  13.317
  338   2HB   LEU  51          HB2       LEU  51  -1.998   9.713  12.001
  339    HG   LEU  51           HG       LEU  51  -2.709  11.039  13.787
  340   1HD1  LEU  51          HD21      LEU  51  -4.077  11.364  11.050
  341   2HD1  LEU  51          HD22      LEU  51  -2.462  11.903  11.512
  342   3HD1  LEU  51          HD23      LEU  51  -3.907  12.689  12.259
  343   1HD2  LEU  51          HD11      LEU  51  -4.631   9.777  14.664
  344   2HD2  LEU  51          HD12      LEU  51  -5.588  10.146  13.182
  345   3HD2  LEU  51          HD13      LEU  51  -5.072  11.481  14.274
  346    H    GLY  52           HN       GLY  52  -2.824  10.011   9.609
  347   1HA   GLY  52          HA2       GLY  52  -3.173   8.186   7.680
  348   2HA   GLY  52          HA1       GLY  52  -2.296   9.724   7.504
  349    H    LYS  53           HN       LYS  53  -0.018   9.268   9.097
  350    HA   LYS  53           HA       LYS  53   1.791   8.089   7.372
  351   1HB   LYS  53          HB1       LYS  53   3.421   8.564   9.034
  352   2HB   LYS  53          HB2       LYS  53   2.203   9.863   9.074
  353   1HG   LYS  53          HG1       LYS  53   2.635   7.604  11.132
  354   2HG   LYS  53          HG2       LYS  53   2.971   9.346  11.336
  355   1HD   LYS  53          HD2       LYS  53   0.544   9.864  11.428
  356   2HD   LYS  53          HD1       LYS  53   0.143   8.160  10.983
  357   1HE   LYS  53          HE2       LYS  53  -0.220   8.375  13.360
  358   2HE   LYS  53          HE1       LYS  53   1.200   7.311  13.079
  359   1HZ   LYS  53          HZ1       LYS  53   2.635   9.199  13.531
  360   2HZ   LYS  53          HZ2       LYS  53   1.589   8.891  14.834
  361   3HZ   LYS  53          HZ3       LYS  53   1.290  10.202  13.795
  362    H    ASP  54           HN       ASP  54  -0.422   6.359   9.069
  363    HA   ASP  54           HA       ASP  54   0.902   3.786   9.361
  364   1HB   ASP  54          HB1       ASP  54  -1.615   4.841  10.837
  365   2HB   ASP  54          HB2       ASP  54  -1.022   3.148  10.898
  366    H    ILE  55           HN       ILE  55  -2.362   5.356   8.503
  367    HA   ILE  55           HA       ILE  55  -2.293   3.614   6.150
  368    HB   ILE  55           HB       ILE  55  -4.868   3.746   7.641
  369   1HG1  ILE  55          HG11      ILE  55  -4.704   1.323   7.943
  370   2HG1  ILE  55          HG12      ILE  55  -3.009   1.296   7.429
  371   1HG2  ILE  55          HG21      ILE  55  -3.817   2.755   4.967
  372   2HG2  ILE  55          HG22      ILE  55  -5.399   3.450   5.390
  373   3HG2  ILE  55          HG23      ILE  55  -4.970   1.733   5.784
  374   1HD1  ILE  55          HD11      ILE  55  -3.547   2.986   9.851
  375   2HD1  ILE  55          HD12      ILE  55  -2.208   1.832   9.470
  376   3HD1  ILE  55          HD13      ILE  55  -3.797   1.207  10.022
  377    H    LEU  56           HN       LEU  56  -1.997   4.924   4.499
  378    HA   LEU  56           HA       LEU  56  -3.704   7.184   4.055
  379   1HB   LEU  56          HB2       LEU  56  -2.011   8.905   3.743
  380   2HB   LEU  56          HB1       LEU  56  -1.969   8.130   5.291
  381    HG   LEU  56           HG       LEU  56  -0.070   6.698   4.646
  382   1HD1  LEU  56          HD21      LEU  56  -0.039   8.248   1.955
  383   2HD1  LEU  56          HD22      LEU  56  -0.248   6.502   2.148
  384   3HD1  LEU  56          HD23      LEU  56   1.287   7.196   2.525
  385   1HD2  LEU  56          HD11      LEU  56   1.474   8.375   5.114
  386   2HD2  LEU  56          HD12      LEU  56  -0.046   9.243   5.528
  387   3HD2  LEU  56          HD13      LEU  56   0.733   9.531   3.967
  388    H    LEU  57           HN       LEU  57  -3.537   8.697   2.176
  389    HA   LEU  57           HA       LEU  57  -4.004   7.541  -0.221
  390   1HB   LEU  57          HB1       LEU  57  -4.009   9.914  -0.922
  391   2HB   LEU  57          HB2       LEU  57  -4.669   9.800   0.734
  392    HG   LEU  57           HG       LEU  57  -3.566  11.703   0.892
  393   1HD1  LEU  57          HD21      LEU  57  -2.425  10.419   2.560
  394   2HD1  LEU  57          HD22      LEU  57  -1.222  11.543   1.819
  395   3HD1  LEU  57          HD23      LEU  57  -1.222   9.802   1.380
  396   1HD2  LEU  57          HD11      LEU  57  -1.377  10.922  -1.121
  397   2HD2  LEU  57          HD12      LEU  57  -1.666  12.529  -0.378
  398   3HD2  LEU  57          HD13      LEU  57  -2.880  11.815  -1.502
  399    H    CYS  58           HN       CYS  58  -2.904   6.210  -1.245
  400    HA   CYS  58           HA       CYS  58  -0.275   6.882  -2.077
  401   1HB   CYS  58          HB2       CYS  58  -1.153   5.125  -0.045
  402   2HB   CYS  58          HB1       CYS  58  -0.902   4.030  -1.406
  403    HG   CYS  58           HG       CYS  58   1.265   4.203   0.159
  404    H    ASP  59           HN       ASP  59   0.345   5.332  -3.458
  405    HA   ASP  59           HA       ASP  59  -1.422   4.892  -5.795
  406   1HB   ASP  59          HB2       ASP  59   1.205   5.959  -6.023
  407   2HB   ASP  59          HB1       ASP  59   1.433   4.231  -6.512
  408    HA   PRO  60           HA       PRO  60   0.635   3.632  -2.591
  409   1HB   PRO  60          HB2       PRO  60   2.415   1.165  -2.399
  410   2HB   PRO  60          HB1       PRO  60   1.313   1.885  -1.201
  411   1HG   PRO  60          HG2       PRO  60   0.648  -0.454  -2.529
  412   2HG   PRO  60          HG1       PRO  60  -0.586   0.771  -2.039
  413   1HD   PRO  60          HD1       PRO  60   0.690   0.441  -4.815
  414   2HD   PRO  60          HD2       PRO  60  -1.058   0.620  -4.348
  415    H    ILE  61           HN       ILE  61   3.274   1.823  -4.230
  416    HA   ILE  61           HA       ILE  61   4.626   4.423  -4.070
  417    HB   ILE  61           HB       ILE  61   5.084   1.840  -2.844
  418   1HG1  ILE  61          HG12      ILE  61   5.987   4.755  -2.675
  419   2HG1  ILE  61          HG11      ILE  61   4.889   3.843  -1.613
  420   1HG2  ILE  61          HG21      ILE  61   7.461   1.639  -3.119
  421   2HG2  ILE  61          HG22      ILE  61   7.556   3.116  -4.135
  422   3HG2  ILE  61          HG23      ILE  61   6.810   1.570  -4.796
  423   1HD1  ILE  61          HD11      ILE  61   6.921   4.128  -0.481
  424   2HD1  ILE  61          HD12      ILE  61   7.918   3.841  -1.984
  425   3HD1  ILE  61          HD13      ILE  61   7.112   2.446  -1.110
  426    HA   PRO  62           HA       PRO  62   5.222   5.263  -7.966
  427   1HB   PRO  62          HB2       PRO  62   8.302   4.785  -8.006
  428   2HB   PRO  62          HB1       PRO  62   7.367   6.329  -8.282
  429   1HG   PRO  62          HG1       PRO  62   8.570   5.006  -5.808
  430   2HG   PRO  62          HG2       PRO  62   8.086   6.744  -6.049
  431   1HD   PRO  62          HD2       PRO  62   6.749   5.054  -4.460
  432   2HD   PRO  62          HD1       PRO  62   5.812   6.176  -5.562
  433    H    LEU  63           HN       LEU  63   4.294   4.013  -9.470
  434    HA   LEU  63           HA       LEU  63   4.371   1.556 -10.116
  435   1HB   LEU  63          HB1       LEU  63   3.672   4.128 -11.554
  436   2HB   LEU  63          HB2       LEU  63   3.284   2.590 -12.393
  437    HG   LEU  63           HG       LEU  63   2.459   2.749  -9.482
  438   1HD1  LEU  63          HD21      LEU  63   0.268   3.838 -10.261
  439   2HD1  LEU  63          HD22      LEU  63   1.161   4.424 -11.714
  440   3HD1  LEU  63          HD23      LEU  63   1.673   4.928 -10.043
  441   1HD2  LEU  63          HD11      LEU  63   2.183   0.698 -10.860
  442   2HD2  LEU  63          HD12      LEU  63   1.244   1.610 -12.077
  443   3HD2  LEU  63          HD13      LEU  63   0.576   1.378 -10.416
  444    H    ASP  64           HN       ASP  64   7.196   2.288 -10.421
  445    HA   ASP  64           HA       ASP  64   7.775   0.059 -12.067
  446   1HB   ASP  64          HB2       ASP  64   7.309   1.637 -13.709
  447   2HB   ASP  64          HB1       ASP  64   8.623   2.763 -13.175
  448    H    THR  65           HN       THR  65   7.943   0.206  -9.582
  449    HA   THR  65           HA       THR  65  10.573   1.018  -8.697
  450    HB   THR  65           HB       THR  65   7.984   1.232  -7.120
  451    HG1  THR  65           HG1      THR  65   8.557   2.990  -8.071
  452   1HG2  THR  65          HG21      THR  65  10.833   1.188  -5.939
  453   2HG2  THR  65          HG22      THR  65   9.400   0.189  -5.435
  454   3HG2  THR  65          HG23      THR  65   9.420   1.952  -5.147
  455    H    GLU  66           HN       GLU  66  11.669  -0.222  -8.026
  456    HA   GLU  66           HA       GLU  66  11.328  -2.996  -7.487
  457   1HB   GLU  66          HB2       GLU  66  13.528  -1.891  -8.008
  458   2HB   GLU  66          HB1       GLU  66  13.440  -1.047  -6.439
  459   1HG   GLU  66          HG2       GLU  66  14.993  -2.788  -6.126
  460   2HG   GLU  66          HG1       GLU  66  13.512  -3.349  -5.276
  461    H    VAL  67           HN       VAL  67   9.652  -3.336  -6.187
  462    HA   VAL  67           HA       VAL  67   9.440  -2.766  -3.283
  463    HB   VAL  67           HB       VAL  67   6.953  -3.723  -3.724
  464   1HG1  VAL  67          HG11      VAL  67   6.245  -1.414  -3.400
  465   2HG1  VAL  67          HG12      VAL  67   7.939  -0.834  -3.795
  466   3HG1  VAL  67          HG13      VAL  67   7.618  -1.931  -2.374
  467   1HG2  VAL  67          HG21      VAL  67   7.316  -1.776  -6.048
  468   2HG2  VAL  67          HG22      VAL  67   5.933  -2.845  -5.640
  469   3HG2  VAL  67          HG23      VAL  67   7.426  -3.580  -6.340
  470    H    THR  68           HN       THR  68   7.964  -4.573  -2.293
  471    HA   THR  68           HA       THR  68   9.544  -6.989  -3.064
  472    HB   THR  68           HB       THR  68  10.404  -5.959  -1.070
  473    HG1  THR  68           HG1      THR  68  10.248  -8.427  -1.532
  474   1HG2  THR  68          HG21      THR  68   7.863  -5.395  -0.543
  475   2HG2  THR  68          HG22      THR  68   9.008  -5.747   0.851
  476   3HG2  THR  68          HG23      THR  68   7.906  -7.050   0.270
  477    H    ALA  69           HN       ALA  69   8.792  -9.025  -3.079
  478    HA   ALA  69           HA       ALA  69   5.831  -9.165  -3.130
  479   1HB   ALA  69          HB1       ALA  69   6.421 -11.208  -4.718
  480   2HB   ALA  69          HB2       ALA  69   8.116 -10.617  -4.676
  481   3HB   ALA  69          HB3       ALA  69   6.842  -9.585  -5.374
  482    H    LEU  70           HN       LEU  70   4.975 -10.352  -1.591
  483    HA   LEU  70           HA       LEU  70   6.794 -11.324   0.415
  484   1HB   LEU  70          HB2       LEU  70   4.730  -9.799   0.571
  485   2HB   LEU  70          HB1       LEU  70   3.829 -11.309   0.768
  486    HG   LEU  70           HG       LEU  70   4.510 -10.015   2.846
  487   1HD1  LEU  70          HD11      LEU  70   5.579 -12.883   2.822
  488   2HD1  LEU  70          HD12      LEU  70   3.824 -12.402   2.861
  489   3HD1  LEU  70          HD13      LEU  70   4.942 -11.950   4.224
  490   1HD2  LEU  70          HD21      LEU  70   7.347 -11.176   2.507
  491   2HD2  LEU  70          HD22      LEU  70   6.709 -10.224   3.885
  492   3HD2  LEU  70          HD23      LEU  70   6.942  -9.441   2.282
  493    H    SER  71           HN       SER  71   7.459 -12.981   0.728
  494    HA   SER  71           HA       SER  71   6.371 -15.628   0.616
  495   1HB   SER  71          HB1       SER  71   8.978 -14.685  -0.754
  496   2HB   SER  71          HB2       SER  71   8.777 -16.383  -0.181
  497    HG   SER  71           HG       SER  71   7.031 -15.077  -2.002
  498    H    GLU  72           HN       GLU  72   7.974 -16.887   2.061
  499    HA   GLU  72           HA       GLU  72   8.111 -16.209   4.595
  500   1HB   GLU  72          HB1       GLU  72  10.542 -17.745   3.859
  501   2HB   GLU  72          HB2       GLU  72   9.025 -18.335   4.632
  502   1HG   GLU  72          HG2       GLU  72   9.588 -17.785   1.640
  503   2HG   GLU  72          HG1       GLU  72   9.975 -19.327   2.512
  504    H    ASP  73           HN       ASP  73   9.989 -16.229   6.097
  505    HA   ASP  73           HA       ASP  73  10.926 -13.745   6.359
  506   1HB   ASP  73          HB2       ASP  73  12.159 -16.203   7.722
  507   2HB   ASP  73          HB1       ASP  73  12.259 -14.511   8.348
  508    H    GLU  74           HN       GLU  74  13.237 -16.266   5.319
  509    HA   GLU  74           HA       GLU  74  15.163 -14.142   4.587
  510   1HB   GLU  74          HB2       GLU  74  16.941 -15.803   4.802
  511   2HB   GLU  74          HB1       GLU  74  16.022 -15.619   6.328
  512   1HG   GLU  74          HG2       GLU  74  14.733 -17.724   5.839
  513   2HG   GLU  74          HG1       GLU  74  15.697 -17.956   4.331
  514    H    TYR  75           HN       TYR  75  12.729 -15.541   3.110
  515    HA   TYR  75           HA       TYR  75  14.178 -16.467   0.689
  516   1HB   TYR  75          HB2       TYR  75  11.422 -17.058   1.859
  517   2HB   TYR  75          HB1       TYR  75  11.921 -17.636   0.220
  518    HD1  TYR  75           HD1      TYR  75  13.408 -19.397  -0.036
  519    HD2  TYR  75           HD2      TYR  75  12.619 -17.950   3.902
  520    HE1  TYR  75           HE1      TYR  75  14.500 -21.380   0.895
  521    HE2  TYR  75           HE2      TYR  75  13.683 -19.974   4.837
  522    HH   TYR  75           HH       TYR  75  15.180 -22.436   2.750
  523    H    PHE  76           HN       PHE  76  11.543 -14.384   1.858
  524    HA   PHE  76           HA       PHE  76  10.699 -13.372  -0.571
  525   1HB   PHE  76          HB2       PHE  76   9.582 -11.586   0.442
  526   2HB   PHE  76          HB1       PHE  76   9.790 -12.818   1.728
  527    HD1  PHE  76           HD1      PHE  76  12.232 -12.436   3.067
  528    HD2  PHE  76           HD2      PHE  76   9.634  -9.537   1.325
  529    HE1  PHE  76           HE1      PHE  76  13.066 -10.752   4.630
  530    HE2  PHE  76           HE2      PHE  76  10.449  -7.857   2.894
  531    HZ   PHE  76           HZ       PHE  76  12.189  -8.452   4.560
  532    H    SER  77           HN       SER  77  10.865 -11.583  -1.916
  533    HA   SER  77           HA       SER  77  13.525 -10.327  -2.114
  534   1HB   SER  77          HB1       SER  77  13.728 -11.107  -4.529
  535   2HB   SER  77          HB2       SER  77  13.852 -12.412  -3.308
  536    HG   SER  77           HG       SER  77  11.885 -13.129  -3.820
  537    H    ALA  78           HN       ALA  78  13.713  -8.713  -3.858
  538    HA   ALA  78           HA       ALA  78  11.175  -7.359  -4.305
  539   1HB   ALA  78          HB1       ALA  78  12.581  -5.886  -2.990
  540   2HB   ALA  78          HB2       ALA  78  12.290  -5.173  -4.570
  541   3HB   ALA  78          HB3       ALA  78  13.880  -5.974  -4.242
  542    H    GLY  79           HN       GLY  79  10.517  -6.385  -6.005
  543   1HA   GLY  79          HA2       GLY  79  11.596  -7.066  -8.628
  544   2HA   GLY  79          HA1       GLY  79   9.875  -7.711  -8.153
  545    H    VAL  80           HN       VAL  80   9.245  -6.223  -9.998
  546    HA   VAL  80           HA       VAL  80   9.248  -3.392  -8.984
  547    HB   VAL  80           HB       VAL  80   9.545  -4.858 -11.594
  548   1HG1  VAL  80          HG11      VAL  80   9.374  -2.625 -12.821
  549   2HG1  VAL  80          HG12      VAL  80   8.695  -1.871 -11.335
  550   3HG1  VAL  80          HG13      VAL  80   7.777  -3.161 -12.206
  551   1HG2  VAL  80          HG21      VAL  80  11.491  -3.320 -11.716
  552   2HG2  VAL  80          HG22      VAL  80  11.441  -4.198 -10.119
  553   3HG2  VAL  80          HG23      VAL  80  10.900  -2.454 -10.243
  554    H    VAL  81           HN       VAL  81   7.483  -2.300  -8.489
  555    HA   VAL  81           HA       VAL  81   4.910  -3.519  -9.215
  556    HB   VAL  81           HB       VAL  81   5.003  -2.000  -7.144
  557   1HG1  VAL  81          HG21      VAL  81   5.767   0.279  -9.156
  558   2HG1  VAL  81          HG22      VAL  81   6.723  -0.314  -7.746
  559   3HG1  VAL  81          HG23      VAL  81   5.121   0.523  -7.501
  560   1HG2  VAL  81          HG11      VAL  81   3.130  -0.574  -7.500
  561   2HG2  VAL  81          HG12      VAL  81   2.865  -2.076  -8.498
  562   3HG2  VAL  81          HG13      VAL  81   3.431  -0.525  -9.293
  563    H    LYS  82           HN       LYS  82   3.770  -3.109 -11.096
  564    HA   LYS  82           HA       LYS  82   4.937  -1.042 -12.872
  565   1HB   LYS  82          HB2       LYS  82   5.341  -3.609 -13.269
  566   2HB   LYS  82          HB1       LYS  82   3.641  -3.609 -13.844
  567   1HG   LYS  82          HG2       LYS  82   4.283  -1.906 -15.596
  568   2HG   LYS  82          HG1       LYS  82   5.936  -1.806 -14.894
  569   1HD   LYS  82          HD2       LYS  82   6.251  -4.282 -15.371
  570   2HD   LYS  82          HD1       LYS  82   4.655  -4.306 -16.192
  571   1HE   LYS  82          HE2       LYS  82   7.088  -2.573 -17.032
  572   2HE   LYS  82          HE1       LYS  82   6.559  -4.114 -17.821
  573   1HZ   LYS  82          HZ1       LYS  82   4.474  -3.062 -18.366
  574   2HZ   LYS  82          HZ2       LYS  82   5.785  -2.186 -18.995
  575   3HZ   LYS  82          HZ3       LYS  82   4.962  -1.614 -17.623
  576    H    GLY  83           HN       GLY  83   1.898  -2.608 -11.699
  577   1HA   GLY  83          HA2       GLY  83   0.307  -0.363 -12.398
  578   2HA   GLY  83          HA1       GLY  83   0.114  -1.769 -13.518
  579    H    HIS  84           HN       HIS  84  -1.955  -0.600 -11.625
  580    HA   HIS  84           HA       HIS  84  -2.732  -3.108 -10.637
  581   1HB   HIS  84          HB1       HIS  84  -3.074  -2.126  -8.116
  582   2HB   HIS  84          HB2       HIS  84  -1.553  -2.855  -8.671
  583    HD1  HIS  84           HD1      HIS  84  -2.487   0.963  -8.892
  584    HD2  HIS  84           HD2      HIS  84   0.449  -1.765  -7.643
  585    HE1  HIS  84           HE1      HIS  84  -0.358   2.283  -8.176
  586    H    ARG  85           HN       ARG  85  -4.687  -3.582  -9.561
  587    HA   ARG  85           HA       ARG  85  -6.759  -1.696 -10.441
  588   1HB   ARG  85          HB2       ARG  85  -7.745  -3.331 -11.892
  589   2HB   ARG  85          HB1       ARG  85  -6.000  -3.527 -12.259
  590   1HG   ARG  85          HG1       ARG  85  -6.287  -5.738 -11.926
  591   2HG   ARG  85          HG2       ARG  85  -6.367  -5.397 -10.166
  592   1HD   ARG  85          HD2       ARG  85  -8.254  -6.749 -10.582
  593   2HD   ARG  85          HD1       ARG  85  -8.913  -5.090 -10.396
  594    HE   ARG  85           HE       ARG  85  -8.472  -6.560 -13.032
  595   1HH1  ARG  85          HH11      ARG  85 -10.246  -4.041 -11.202
  596   2HH1  ARG  85          HH12      ARG  85 -11.374  -3.739 -12.482
  597   1HH2  ARG  85          HH21      ARG  85  -9.996  -6.138 -14.709
  598   2HH2  ARG  85          HH22      ARG  85 -11.232  -4.943 -14.493
  599    H    LYS  86           HN       LYS  86  -8.848  -2.272  -9.293
  600    HA   LYS  86           HA       LYS  86  -8.631  -4.613  -7.575
  601   1HB   LYS  86          HB2       LYS  86  -9.335  -3.518  -5.561
  602   2HB   LYS  86          HB1       LYS  86  -7.810  -2.834  -6.233
  603   1HG   LYS  86          HG2       LYS  86  -9.045  -0.846  -7.093
  604   2HG   LYS  86          HG1       LYS  86 -10.574  -1.436  -6.361
  605   1HD   LYS  86          HD2       LYS  86  -9.572  -1.279  -4.080
  606   2HD   LYS  86          HD1       LYS  86  -7.962  -0.937  -4.799
  607   1HE   LYS  86          HE2       LYS  86  -8.842   1.224  -5.756
  608   2HE   LYS  86          HE1       LYS  86 -10.442   0.907  -4.963
  609   1HZ   LYS  86          HZ1       LYS  86  -7.819   1.208  -3.592
  610   2HZ   LYS  86          HZ2       LYS  86  -9.309   0.901  -2.838
  611   3HZ   LYS  86          HZ3       LYS  86  -9.061   2.363  -3.667
  612    H    GLU  87           HN       GLU  87 -10.532  -5.718  -7.414
  613    HA   GLU  87           HA       GLU  87 -12.916  -4.496  -8.703
  614   1HB   GLU  87          HB2       GLU  87 -11.518  -6.057 -10.202
  615   2HB   GLU  87          HB1       GLU  87 -12.039  -7.416  -9.178
  616   1HG   GLU  87          HG2       GLU  87 -13.937  -5.459 -10.666
  617   2HG   GLU  87          HG1       GLU  87 -13.293  -6.978 -11.382
  618    H    SER  88           HN       SER  88 -14.963  -5.620  -7.786
  619    HA   SER  88           HA       SER  88 -14.881  -5.686  -4.979
  620   1HB   SER  88          HB2       SER  88 -16.820  -4.993  -6.488
  621   2HB   SER  88          HB1       SER  88 -17.221  -6.735  -6.657
  622    HG   SER  88           HG       SER  88 -18.389  -5.784  -4.943
  623    H    GLY  89           HN       GLY  89 -13.278  -7.263  -4.461
  624   1HA   GLY  89          HA2       GLY  89 -13.253  -9.229  -3.111
  625   2HA   GLY  89          HA1       GLY  89 -14.199 -10.090  -4.370
  626    H    GLU  90           HN       GLU  90 -11.781  -8.080  -5.967
  627    HA   GLU  90           HA       GLU  90  -9.841 -10.247  -5.973
  628   1HB   GLU  90          HB2       GLU  90 -10.662  -8.534  -8.409
  629   2HB   GLU  90          HB1       GLU  90  -9.629  -9.965  -8.335
  630   1HG   GLU  90          HG2       GLU  90 -12.678  -9.866  -7.918
  631   2HG   GLU  90          HG1       GLU  90 -11.845 -10.285  -9.451
  632    H    LEU  91           HN       LEU  91  -7.710  -9.317  -5.823
  633    HA   LEU  91           HA       LEU  91  -7.553  -6.398  -6.217
  634   1HB   LEU  91          HB2       LEU  91  -7.569  -7.377  -3.681
  635   2HB   LEU  91          HB1       LEU  91  -5.938  -8.036  -4.068
  636    HG   LEU  91           HG       LEU  91  -5.957  -5.868  -2.829
  637   1HD1  LEU  91          HD11      LEU  91  -4.228  -4.762  -3.928
  638   2HD1  LEU  91          HD12      LEU  91  -4.900  -5.042  -5.582
  639   3HD1  LEU  91          HD13      LEU  91  -4.104  -6.380  -4.694
  640   1HD2  LEU  91          HD21      LEU  91  -7.147  -4.556  -5.316
  641   2HD2  LEU  91          HD22      LEU  91  -6.720  -3.743  -3.790
  642   3HD2  LEU  91          HD23      LEU  91  -8.098  -4.922  -3.814
  643    H    TYR  92           HN       TYR  92  -5.832  -6.160  -7.946
  644    HA   TYR  92           HA       TYR  92  -3.675  -7.963  -7.303
  645   1HB   TYR  92          HB1       TYR  92  -3.472  -9.050  -9.687
  646   2HB   TYR  92          HB2       TYR  92  -4.502  -9.762  -8.437
  647    HD1  TYR  92           HD1      TYR  92  -6.883 -10.006  -8.707
  648    HD2  TYR  92           HD2      TYR  92  -4.620  -7.773 -11.512
  649    HE1  TYR  92           HE1      TYR  92  -8.753 -10.092 -10.323
  650    HE2  TYR  92           HE2      TYR  92  -6.350  -8.048 -13.186
  651    HH   TYR  92           HH       TYR  92  -8.350  -8.887 -13.632
  652    H    TYR  93           HN       TYR  93  -1.783  -7.375  -7.595
  653    HA   TYR  93           HA       TYR  93  -1.326  -4.959  -9.198
  654   1HB   TYR  93          HB2       TYR  93   0.399  -6.072  -6.944
  655   2HB   TYR  93          HB1       TYR  93   0.794  -4.653  -7.993
  656    HD1  TYR  93           HD1      TYR  93  -2.663  -4.571  -6.698
  657    HD2  TYR  93           HD2      TYR  93   1.421  -3.536  -5.866
  658    HE1  TYR  93           HE1      TYR  93  -3.370  -3.119  -4.905
  659    HE2  TYR  93           HE2      TYR  93   0.669  -2.251  -3.963
  660    HH   TYR  93           HH       TYR  93  -2.472  -2.411  -2.622
  661    H    SER  94           HN       SER  94   0.118  -5.165 -10.976
  662    HA   SER  94           HA       SER  94   1.065  -7.884 -11.606
  663   1HB   SER  94          HB2       SER  94   1.688  -6.857 -13.896
  664   2HB   SER  94          HB1       SER  94  -0.044  -6.982 -13.508
  665    HG   SER  94           HG       SER  94   1.551  -4.621 -13.419
  666    H    ILE  95           HN       ILE  95   2.730  -8.301 -10.424
  667    HA   ILE  95           HA       ILE  95   4.841  -6.276  -9.945
  668    HB   ILE  95           HB       ILE  95   4.191  -8.913  -8.560
  669   1HG1  ILE  95          HG12      ILE  95   2.300  -7.428  -8.283
  670   2HG1  ILE  95          HG11      ILE  95   3.307  -7.469  -6.835
  671   1HG2  ILE  95          HG21      ILE  95   6.518  -8.291  -7.944
  672   2HG2  ILE  95          HG22      ILE  95   5.412  -7.657  -6.637
  673   3HG2  ILE  95          HG23      ILE  95   6.079  -6.541  -7.847
  674   1HD1  ILE  95          HD11      ILE  95   4.389  -5.226  -7.592
  675   2HD1  ILE  95          HD12      ILE  95   2.675  -5.137  -7.121
  676   3HD1  ILE  95          HD13      ILE  95   3.122  -5.129  -8.864
  677    H    GLU  96           HN       GLU  96   6.596  -6.312 -11.061
  678    HA   GLU  96           HA       GLU  96   6.963  -8.651 -12.857
  679   1HB   GLU  96          HB2       GLU  96   7.011  -6.416 -13.860
  680   2HB   GLU  96          HB1       GLU  96   8.399  -5.947 -12.826
  681   1HG   GLU  96          HG2       GLU  96   9.791  -7.798 -13.983
  682   2HG   GLU  96          HG1       GLU  96   8.402  -8.044 -15.097
  683    H    LYS  97           HN       LYS  97   7.891 -10.346 -12.157
  684    HA   LYS  97           HA       LYS  97  10.374  -9.959 -10.461
  685   1HB   LYS  97          HB1       LYS  97   8.368  -9.940  -8.930
  686   2HB   LYS  97          HB2       LYS  97   7.860 -11.457  -9.782
  687   1HG   LYS  97          HG2       LYS  97   9.426 -12.785  -8.625
  688   2HG   LYS  97          HG1       LYS  97  10.527 -11.408  -8.222
  689   1HD   LYS  97          HD2       LYS  97   9.409 -11.158  -6.233
  690   2HD   LYS  97          HD1       LYS  97   7.800 -11.271  -7.035
  691   1HE   LYS  97          HE2       LYS  97   8.052 -13.157  -5.445
  692   2HE   LYS  97          HE1       LYS  97   8.034 -13.782  -7.148
  693   1HZ   LYS  97          HZ1       LYS  97  10.419 -13.919  -7.074
  694   2HZ   LYS  97          HZ2       LYS  97   9.722 -14.820  -5.816
  695   3HZ   LYS  97          HZ3       LYS  97  10.453 -13.323  -5.485
  696    H    GLU  98           HN       GLU  98  11.900 -11.351 -10.876
  697    HA   GLU  98           HA       GLU  98  13.081 -13.037 -11.593
  698   1HB   GLU  98          HB2       GLU  98  10.457 -14.622 -11.802
  699   2HB   GLU  98          HB1       GLU  98  12.151 -15.310 -12.124
  700   1HG   GLU  98          HG2       GLU  98  12.872 -14.906  -9.930
  701   2HG   GLU  98          HG1       GLU  98  11.335 -14.079  -9.442
  702    H    GLY  99           HN       GLY  99  11.141 -11.220 -13.128
  703   1HA   GLY  99          HA2       GLY  99  11.849 -10.139 -15.179
  704   2HA   GLY  99          HA1       GLY  99  12.175 -11.754 -15.899
  705    H    GLN 100           HN       GLN 100   9.519 -12.457 -14.315
  706    HA   GLN 100           HA       GLN 100   7.667 -11.508 -16.383
  707   1HB   GLN 100          HB2       GLN 100   6.484 -13.748 -16.254
  708   2HB   GLN 100          HB1       GLN 100   8.155 -13.804 -16.881
  709   1HG   GLN 100          HG2       GLN 100   8.005 -15.709 -15.565
  710   2HG   GLN 100          HG1       GLN 100   8.952 -14.591 -14.541
  711   1HE2  GLN 100          HE21      GLN 100   7.951 -13.800 -12.559
  712   2HE2  GLN 100          HE22      GLN 100   6.438 -14.549 -11.992
  713    H    ARG 101           HN       ARG 101   5.306 -11.629 -15.879
  714    HA   ARG 101           HA       ARG 101   5.144 -10.020 -13.480
  715   1HB   ARG 101          HB2       ARG 101   2.869 -10.512 -15.510
  716   2HB   ARG 101          HB1       ARG 101   3.091  -9.133 -14.371
  717   1HG   ARG 101          HG1       ARG 101   4.698  -9.726 -16.927
  718   2HG   ARG 101          HG2       ARG 101   3.444  -8.463 -16.684
  719   1HD   ARG 101          HD2       ARG 101   4.896  -7.339 -14.955
  720   2HD   ARG 101          HD1       ARG 101   6.187  -8.569 -15.231
  721    HE   ARG 101           HE       ARG 101   5.431  -6.291 -16.976
  722   1HH1  ARG 101          HH11      ARG 101   7.040  -9.491 -16.946
  723   2HH1  ARG 101          HH12      ARG 101   7.974  -9.172 -18.371
  724   1HH2  ARG 101          HH21      ARG 101   6.693  -5.898 -18.878
  725   2HH2  ARG 101          HH22      ARG 101   7.774  -7.112 -19.480
  726    H    LYS 102           HN       LYS 102   4.422 -10.518 -11.659
  727    HA   LYS 102           HA       LYS 102   2.720 -12.983 -11.354
  728   1HB   LYS 102          HB1       LYS 102   4.668 -11.577  -9.500
  729   2HB   LYS 102          HB2       LYS 102   3.297 -12.454  -8.741
  730   1HG   LYS 102          HG2       LYS 102   4.003 -14.521  -9.356
  731   2HG   LYS 102          HG1       LYS 102   4.657 -14.010 -10.942
  732   1HD   LYS 102          HD1       LYS 102   6.758 -13.307 -10.046
  733   2HD   LYS 102          HD2       LYS 102   6.144 -13.320  -8.357
  734   1HE   LYS 102          HE1       LYS 102   6.511 -15.814 -10.168
  735   2HE   LYS 102          HE2       LYS 102   7.666 -15.261  -8.889
  736   1HZ   LYS 102          HZ1       LYS 102   4.846 -16.094  -8.460
  737   2HZ   LYS 102          HZ2       LYS 102   5.927 -15.565  -7.262
  738   3HZ   LYS 102          HZ3       LYS 102   6.239 -17.003  -8.113
  739    H    TRP 103           HN       TRP 103   0.548 -12.602 -11.241
  740    HA   TRP 103           HA       TRP 103  -0.285  -9.891 -10.464
  741   1HB   TRP 103          HB2       TRP 103  -1.816 -12.297 -11.633
  742   2HB   TRP 103          HB1       TRP 103  -2.640 -10.834 -11.006
  743    HD1  TRP 103           HD1      TRP 103  -1.140 -12.049 -14.254
  744    HE1  TRP 103           HE1      TRP 103  -1.581 -10.191 -15.993
  745    HE3  TRP 103           HE3      TRP 103  -2.134  -8.240 -11.081
  746    HZ2  TRP 103           HZ2      TRP 103  -2.498  -7.488 -15.958
  747    HZ3  TRP 103           HZ3      TRP 103  -2.831  -6.057 -11.973
  748    HH2  TRP 103           HH2      TRP 103  -3.012  -5.700 -14.389
  749    H    TYR 104           HN       TYR 104  -0.111  -9.637  -8.508
  750    HA   TYR 104           HA       TYR 104  -0.783 -11.678  -6.362
  751   1HB   TYR 104          HB1       TYR 104   1.367  -9.504  -6.669
  752   2HB   TYR 104          HB2       TYR 104   0.893 -10.157  -5.046
  753    HD1  TYR 104           HD1      TYR 104   3.547 -10.066  -6.669
  754    HD2  TYR 104           HD2      TYR 104   0.779 -13.102  -5.541
  755    HE1  TYR 104           HE1      TYR 104   5.376 -11.662  -6.516
  756    HE2  TYR 104           HE2      TYR 104   2.633 -14.656  -5.216
  757    HH   TYR 104           HH       TYR 104   5.896 -13.955  -6.225
  758    H    LYS 105           HN       LYS 105  -2.584 -11.095  -5.144
  759    HA   LYS 105           HA       LYS 105  -3.629  -8.594  -5.107
  760   1HB   LYS 105          HB1       LYS 105  -4.997  -9.743  -3.274
  761   2HB   LYS 105          HB2       LYS 105  -4.815 -10.763  -4.712
  762   1HG   LYS 105          HG2       LYS 105  -2.961 -12.052  -3.592
  763   2HG   LYS 105          HG1       LYS 105  -3.141 -11.040  -2.127
  764   1HD   LYS 105          HD1       LYS 105  -5.519 -11.778  -1.894
  765   2HD   LYS 105          HD2       LYS 105  -5.337 -12.820  -3.349
  766   1HE   LYS 105          HE2       LYS 105  -3.711 -13.097  -0.721
  767   2HE   LYS 105          HE1       LYS 105  -5.121 -14.125  -1.203
  768   1HZ   LYS 105          HZ1       LYS 105  -2.549 -13.877  -2.674
  769   2HZ   LYS 105          HZ2       LYS 105  -3.871 -14.846  -3.119
  770   3HZ   LYS 105          HZ3       LYS 105  -3.028 -15.170  -1.681
  771    H    ARG 106           HN       ARG 106  -4.104  -7.654  -3.070
  772    HA   ARG 106           HA       ARG 106  -2.602  -5.852  -2.089
  773   1HB   ARG 106          HB2       ARG 106  -3.966  -6.552   0.279
  774   2HB   ARG 106          HB1       ARG 106  -4.783  -6.041  -1.188
  775   1HG   ARG 106          HG2       ARG 106  -5.577  -8.165  -1.736
  776   2HG   ARG 106          HG1       ARG 106  -4.259  -9.050  -0.906
  777   1HD   ARG 106          HD2       ARG 106  -5.193  -8.474   1.312
  778   2HD   ARG 106          HD1       ARG 106  -6.541  -7.611   0.491
  779    HE   ARG 106           HE       ARG 106  -6.182 -10.517   0.784
  780   1HH1  ARG 106          HH11      ARG 106  -7.759  -8.047  -1.282
  781   2HH1  ARG 106          HH12      ARG 106  -8.957  -9.146  -1.882
  782   1HH2  ARG 106          HH21      ARG 106  -7.795 -11.945  -0.034
  783   2HH2  ARG 106          HH22      ARG 106  -8.980 -11.378  -1.164
  784    H    MET 107           HN       MET 107  -2.799  -8.686  -0.086
  785    HA   MET 107           HA       MET 107  -0.655  -8.088   1.666
  786   1HB   MET 107          HB1       MET 107  -1.619  -9.990   2.858
  787   2HB   MET 107          HB2       MET 107  -2.904  -8.891   2.246
  788   1HG   MET 107          HG2       MET 107  -2.970 -10.525   0.116
  789   2HG   MET 107          HG1       MET 107  -1.915 -11.612   1.041
  790   1HE   MET 107          HE1       MET 107  -3.990 -12.977   3.913
  791   2HE   MET 107          HE2       MET 107  -2.711 -11.720   3.898
  792   3HE   MET 107          HE3       MET 107  -2.565 -13.171   2.840
  793    H    ALA 108           HN       ALA 108  -0.457  -9.522  -1.587
  794    HA   ALA 108           HA       ALA 108   2.015 -10.817  -0.790
  795   1HB   ALA 108          HB1       ALA 108   1.927 -11.694  -3.334
  796   2HB   ALA 108          HB2       ALA 108   0.284 -10.986  -3.359
  797   3HB   ALA 108          HB3       ALA 108   0.641 -12.345  -2.248
  798    H    VAL 109           HN       VAL 109   1.136  -7.979  -1.674
  799    HA   VAL 109           HA       VAL 109   3.736  -7.299  -2.542
  800    HB   VAL 109           HB       VAL 109   2.306  -5.533  -4.316
  801   1HG1  VAL 109          HG11      VAL 109   4.250  -6.068  -5.544
  802   2HG1  VAL 109          HG12      VAL 109   4.620  -7.496  -4.515
  803   3HG1  VAL 109          HG13      VAL 109   4.730  -5.817  -3.872
  804   1HG2  VAL 109          HG21      VAL 109   1.589  -7.222  -5.878
  805   2HG2  VAL 109          HG22      VAL 109   0.765  -7.595  -4.356
  806   3HG2  VAL 109          HG23      VAL 109   2.252  -8.526  -4.828
  807    H    ILE 110           HN       ILE 110   4.601  -6.227  -1.414
  808    HA   ILE 110           HA       ILE 110   3.376  -3.806  -0.167
  809    HB   ILE 110           HB       ILE 110   4.554  -4.168   1.887
  810   1HG1  ILE 110          HG11      ILE 110   6.440  -5.595   1.468
  811   2HG1  ILE 110          HG12      ILE 110   5.306  -6.425   2.559
  812   1HG2  ILE 110          HG21      ILE 110   2.142  -5.031   1.382
  813   2HG2  ILE 110          HG22      ILE 110   2.966  -5.819   2.790
  814   3HG2  ILE 110          HG23      ILE 110   2.797  -6.677   1.218
  815   1HD1  ILE 110          HD11      ILE 110   6.144  -8.100   1.076
  816   2HD1  ILE 110          HD12      ILE 110   5.802  -7.125  -0.365
  817   3HD1  ILE 110          HD13      ILE 110   4.430  -7.802   0.603
  818    H    LEU 111           HN       LEU 111   5.051  -2.587   1.141
  819    HA   LEU 111           HA       LEU 111   7.708  -2.363  -0.146
  820   1HB   LEU 111          HB1       LEU 111   7.516   0.085  -0.406
  821   2HB   LEU 111          HB2       LEU 111   6.191  -0.734  -1.281
  822    HG   LEU 111           HG       LEU 111   4.839  -0.466   0.896
  823   1HD1  LEU 111          HD11      LEU 111   6.315   0.568   2.403
  824   2HD1  LEU 111          HD12      LEU 111   5.366   1.936   1.795
  825   3HD1  LEU 111          HD13      LEU 111   7.038   1.711   1.165
  826   1HD2  LEU 111          HD21      LEU 111   3.577   1.163   0.227
  827   2HD2  LEU 111          HD22      LEU 111   4.442   0.644  -1.336
  828   3HD2  LEU 111          HD23      LEU 111   4.878   2.197  -0.344
  829    H    SER 112           HN       SER 112   9.214  -0.856   1.351
  830    HA   SER 112           HA       SER 112   8.435  -1.191   4.220
  831   1HB   SER 112          HB2       SER 112  10.370  -2.632   3.526
  832   2HB   SER 112          HB1       SER 112  11.343  -1.145   3.281
  833    HG   SER 112           HG       SER 112   9.966  -1.857   5.721
  834    H    LEU 113           HN       LEU 113   9.808   0.633   5.698
  835    HA   LEU 113           HA       LEU 113   8.675   3.167   4.748
  836   1HB   LEU 113          HB2       LEU 113   8.603   4.057   6.664
  837   2HB   LEU 113          HB1       LEU 113   8.672   2.206   6.921
  838    HG   LEU 113           HG       LEU 113  10.968   4.098   7.582
  839   1HD1  LEU 113          HD11      LEU 113   8.951   2.731   9.474
  840   2HD1  LEU 113          HD12      LEU 113   8.967   4.475   9.032
  841   3HD1  LEU 113          HD13      LEU 113  10.347   3.761   9.953
  842   1HD2  LEU 113          HD21      LEU 113  11.774   1.756   7.119
  843   2HD2  LEU 113          HD22      LEU 113  10.651   1.131   8.417
  844   3HD2  LEU 113          HD23      LEU 113  11.979   2.255   8.828
  845    H    GLU 114           HN       GLU 114  11.521   1.936   4.417
  846    HA   GLU 114           HA       GLU 114  12.772   4.641   3.910
  847   1HB   GLU 114          HB2       GLU 114  14.419   2.756   4.412
  848   2HB   GLU 114          HB1       GLU 114  14.357   2.454   2.639
  849   1HG   GLU 114          HG1       GLU 114  14.649   5.127   2.381
  850   2HG   GLU 114          HG2       GLU 114  14.824   5.084   4.167
  851    H    GLN 115           HN       GLN 115  10.954   2.341   2.035
  852    HA   GLN 115           HA       GLN 115  11.021   3.995  -0.366
  853   1HB   GLN 115          HB2       GLN 115   9.310   1.578   0.387
  854   2HB   GLN 115          HB1       GLN 115   9.328   2.446  -1.240
  855   1HG   GLN 115          HG2       GLN 115  11.605   1.761  -1.703
  856   2HG   GLN 115          HG1       GLN 115  11.771   1.018  -0.074
  857   1HE2  GLN 115          HE21      GLN 115  10.552   0.388  -3.387
  858   2HE2  GLN 115          HE22      GLN 115  10.460  -1.278  -2.969
  859    H    GLY 116           HN       GLY 116   8.988   3.378   2.609
  860   1HA   GLY 116          HA2       GLY 116   6.855   5.083   2.077
  861   2HA   GLY 116          HA1       GLY 116   7.521   4.629   3.685
  862    H    ASN 117           HN       ASN 117   9.970   5.796   3.787
  863    HA   ASN 117           HA       ASN 117   9.489   8.643   3.848
  864   1HB   ASN 117          HB2       ASN 117  12.067   7.082   4.404
  865   2HB   ASN 117          HB1       ASN 117  11.872   8.873   4.597
  866   1HD2  ASN 117          HD21      ASN 117  11.616   5.972   6.332
  867   2HD2  ASN 117          HD22      ASN 117  10.756   6.704   7.687
  868    H    ARG 118           HN       ARG 118  10.394   6.613   1.205
  869    HA   ARG 118           HA       ARG 118  12.185   8.361  -0.029
  870   1HB   ARG 118          HB2       ARG 118  12.274   7.246  -1.940
  871   2HB   ARG 118          HB1       ARG 118  11.910   5.936  -0.805
  872   1HG   ARG 118          HG2       ARG 118   9.727   5.562  -1.887
  873   2HG   ARG 118          HG1       ARG 118   9.631   7.154  -2.584
  874   1HD   ARG 118          HD2       ARG 118  10.153   5.655  -4.349
  875   2HD   ARG 118          HD1       ARG 118  11.712   6.544  -3.998
  876    HE   ARG 118           HE       ARG 118  11.759   4.202  -2.394
  877   1HH1  ARG 118          HH11      ARG 118  11.576   4.931  -5.891
  878   2HH1  ARG 118          HH12      ARG 118  12.388   3.478  -6.372
  879   1HH2  ARG 118          HH21      ARG 118  12.849   2.248  -3.071
  880   2HH2  ARG 118          HH22      ARG 118  13.120   1.939  -4.755
  881    H    LEU 119           HN       LEU 119   8.805   7.463  -0.293
  882    HA   LEU 119           HA       LEU 119   7.690   9.348  -2.219
  883   1HB   LEU 119          HB1       LEU 119   7.130   7.069  -2.515
  884   2HB   LEU 119          HB2       LEU 119   6.650   6.788  -0.859
  885    HG   LEU 119           HG       LEU 119   5.274   8.831  -2.720
  886   1HD1  LEU 119          HD11      LEU 119   4.269   5.952  -2.200
  887   2HD1  LEU 119          HD12      LEU 119   5.144   6.473  -3.703
  888   3HD1  LEU 119          HD13      LEU 119   3.535   7.147  -3.281
  889   1HD2  LEU 119          HD21      LEU 119   4.358   9.141  -0.518
  890   2HD2  LEU 119          HD22      LEU 119   4.258   7.349  -0.226
  891   3HD2  LEU 119          HD23      LEU 119   3.167   8.157  -1.411
  892    H    ARG 120           HN       ARG 120   7.653   8.930   1.298
  893    HA   ARG 120           HA       ARG 120   5.396   9.997   1.690
  894   1HB   ARG 120          HB2       ARG 120   6.980   9.093   3.719
  895   2HB   ARG 120          HB1       ARG 120   8.224  10.203   3.074
  896   1HG   ARG 120          HG1       ARG 120   7.463  12.095   4.277
  897   2HG   ARG 120          HG2       ARG 120   5.860  11.374   4.569
  898   1HD   ARG 120          HD1       ARG 120   7.114   9.549   5.967
  899   2HD   ARG 120          HD2       ARG 120   8.538  10.663   5.918
  900    HE   ARG 120           HE       ARG 120   5.974  10.981   7.394
  901   1HH1  ARG 120          HH11      ARG 120   8.808  12.768   6.129
  902   2HH1  ARG 120          HH12      ARG 120   8.567  14.130   7.174
  903   1HH2  ARG 120          HH21      ARG 120   5.678  12.812   8.768
  904   2HH2  ARG 120          HH22      ARG 120   6.769  14.155   8.689
  905    H    GLU 121           HN       GLU 121   7.989  12.087   0.922
  906    HA   GLU 121           HA       GLU 121   6.655  14.564   1.640
  907   1HB   GLU 121          HB1       GLU 121   8.823  15.536   0.723
  908   2HB   GLU 121          HB2       GLU 121   9.000  14.394   2.093
  909   1HG   GLU 121          HG1       GLU 121   9.730  12.549   0.623
  910   2HG   GLU 121          HG2       GLU 121   9.448  13.563  -0.846
  911    H    GLN 122           HN       GLN 122   6.900  12.463  -1.206
  912    HA   GLN 122           HA       GLN 122   6.117  14.602  -3.031
  913   1HB   GLN 122          HB2       GLN 122   6.937  13.117  -4.857
  914   2HB   GLN 122          HB1       GLN 122   8.174  13.738  -3.718
  915   1HG   GLN 122          HG1       GLN 122   8.203  11.536  -2.526
  916   2HG   GLN 122          HG2       GLN 122   7.062  10.838  -3.724
  917   1HE2  GLN 122          HE21      GLN 122  10.221  10.796  -2.859
  918   2HE2  GLN 122          HE22      GLN 122  11.031  10.824  -4.430
  919    H    TYR 123           HN       TYR 123   4.999  11.175  -2.011
  920    HA   TYR 123           HA       TYR 123   2.506  12.066  -3.527
  921   1HB   TYR 123          HB1       TYR 123   3.329   9.159  -3.696
  922   2HB   TYR 123          HB2       TYR 123   2.137  10.022  -4.697
  923    HD1  TYR 123           HD1      TYR 123   5.188   8.556  -4.704
  924    HD2  TYR 123           HD2      TYR 123   3.406  12.189  -6.007
  925    HE1  TYR 123           HE1      TYR 123   7.030   8.881  -6.058
  926    HE2  TYR 123           HE2      TYR 123   5.253  12.489  -7.586
  927    HH   TYR 123           HH       TYR 123   8.155  10.976  -7.154
  928    H    GLY 124           HN       GLY 124   3.066  11.261  -0.037
  929   1HA   GLY 124          HA2       GLY 124   0.506  10.884   0.239
  930   2HA   GLY 124          HA1       GLY 124   1.074   9.203  -0.154
  931    H    LEU 125           HN       LEU 125   3.360   8.842   0.898
  932    HA   LEU 125           HA       LEU 125   2.684   8.214   3.295
  933   1HB   LEU 125          HB2       LEU 125   5.015   7.482   1.693
  934   2HB   LEU 125          HB1       LEU 125   5.514   7.610   3.432
  935    HG   LEU 125           HG       LEU 125   5.053   5.557   3.240
  936   1HD1  LEU 125          HD11      LEU 125   2.275   6.610   4.194
  937   2HD1  LEU 125          HD12      LEU 125   3.739   6.243   5.156
  938   3HD1  LEU 125          HD13      LEU 125   2.890   4.967   4.181
  939   1HD2  LEU 125          HD21      LEU 125   4.381   5.404   0.920
  940   2HD2  LEU 125          HD22      LEU 125   2.744   6.081   1.343
  941   3HD2  LEU 125          HD23      LEU 125   3.278   4.446   1.962
  942    H    GLY 126           HN       GLY 126   2.821  11.084   3.381
  943   1HA   GLY 126          HA2       GLY 126   2.509  10.824   6.147
  944   2HA   GLY 126          HA1       GLY 126   4.154  11.507   5.981
  945    HA   PRO 127           HA       PRO 127   1.505  15.329   5.586
  946   1HB   PRO 127          HB2       PRO 127  -1.153  15.396   6.158
  947   2HB   PRO 127          HB1       PRO 127  -0.601  14.664   4.606
  948   1HG   PRO 127          HG2       PRO 127  -1.266  13.206   7.229
  949   2HG   PRO 127          HG1       PRO 127  -1.963  12.904   5.607
  950   1HD   PRO 127          HD1       PRO 127   0.310  11.489   6.574
  951   2HD   PRO 127          HD2       PRO 127   0.078  11.868   4.803
  952    H    TYR 128           HN       TYR 128   1.495  13.027   8.146
  953    HA   TYR 128           HA       TYR 128   1.299  15.051  10.278
  954   1HB   TYR 128          HB1       TYR 128  -0.542  13.150   9.979
  955   2HB   TYR 128          HB2       TYR 128   0.698  12.041  10.653
  956    HD1  TYR 128           HD1      TYR 128   1.169  12.157  13.032
  957    HD2  TYR 128           HD2      TYR 128  -1.304  15.141  11.241
  958    HE1  TYR 128           HE1      TYR 128   0.560  12.996  15.251
  959    HE2  TYR 128           HE2      TYR 128  -1.908  15.975  13.463
  960    HH   TYR 128           HH       TYR 128  -1.490  15.828  15.723
  961    H    GLU 129           HN       GLU 129   2.855  14.895  11.998
  962    HA   GLU 129           HA       GLU 129   5.371  13.600  11.259
  963   1HB   GLU 129          HB2       GLU 129   6.474  15.161  12.711
  964   2HB   GLU 129          HB1       GLU 129   5.393  16.042  11.606
  965   1HG   GLU 129          HG2       GLU 129   4.785  15.439  14.589
  966   2HG   GLU 129          HG1       GLU 129   5.441  16.969  13.929
  Start of MODEL    9
    1    H    ASN   7           HN       ASN   7 -15.087  13.957  -2.319
    2    HA   ASN   7           HA       ASN   7 -15.478  11.325  -2.723
    3   1HB   ASN   7          HB2       ASN   7 -15.427  13.481  -4.933
    4   2HB   ASN   7          HB1       ASN   7 -16.358  11.933  -4.990
    5   1HD2  ASN   7          HD21      ASN   7 -18.290  11.790  -3.723
    6   2HD2  ASN   7          HD22      ASN   7 -18.940  13.222  -2.875
    7    H    SER   8           HN       SER   8 -12.662  13.109  -3.335
    8    HA   SER   8           HA       SER   8 -11.416  11.430  -5.313
    9   1HB   SER   8          HB1       SER   8  -9.434  13.044  -4.866
   10   2HB   SER   8          HB2       SER   8 -10.966  13.745  -5.472
   11    HG   SER   8           HG       SER   8  -9.892  13.927  -2.874
   12    H    PHE   9           HN       PHE   9 -11.582  11.446  -1.882
   13    HA   PHE   9           HA       PHE   9  -9.264   9.611  -1.559
   14   1HB   PHE   9          HB2       PHE   9 -11.012  11.167   0.441
   15   2HB   PHE   9          HB1       PHE   9  -9.786   9.996   1.009
   16    HD1  PHE   9           HD1      PHE   9  -7.413  10.333  -0.648
   17    HD2  PHE   9           HD2      PHE   9 -10.280  13.253   0.638
   18    HE1  PHE   9           HE1      PHE   9  -5.742  12.101  -0.861
   19    HE2  PHE   9           HE2      PHE   9  -8.648  15.018   0.320
   20    HZ   PHE   9           HZ       PHE   9  -6.324  14.453  -0.389
   21    H    VAL  10           HN       VAL  10 -12.714   9.615  -1.483
   22    HA   VAL  10           HA       VAL  10 -13.441   7.533   0.048
   23    HB   VAL  10           HB       VAL  10 -14.592   8.762  -2.476
   24   1HG1  VAL  10          HG11      VAL  10 -16.853   8.153  -1.614
   25   2HG1  VAL  10          HG12      VAL  10 -16.087   7.179  -0.306
   26   3HG1  VAL  10          HG13      VAL  10 -15.893   6.693  -2.030
   27   1HG2  VAL  10          HG21      VAL  10 -14.114  10.504  -0.907
   28   2HG2  VAL  10          HG22      VAL  10 -14.516   9.455   0.477
   29   3HG2  VAL  10          HG23      VAL  10 -15.824  10.099  -0.588
   30    H    GLY  11           HN       GLY  11 -11.857   7.013  -2.878
   31   1HA   GLY  11          HA2       GLY  11 -12.015   4.102  -2.407
   32   2HA   GLY  11          HA1       GLY  11 -12.321   4.791  -4.120
   33    H    LEU  12           HN       LEU  12 -10.001   6.005  -1.712
   34    HA   LEU  12           HA       LEU  12  -7.730   5.798  -3.494
   35   1HB   LEU  12          HB1       LEU  12  -8.342   7.709  -1.959
   36   2HB   LEU  12          HB2       LEU  12  -8.045   6.579  -0.606
   37    HG   LEU  12           HG       LEU  12  -5.376   6.889  -1.203
   38   1HD1  LEU  12          HD21      LEU  12  -6.811   9.338  -2.426
   39   2HD1  LEU  12          HD22      LEU  12  -5.574   8.278  -3.192
   40   3HD1  LEU  12          HD23      LEU  12  -5.130   9.297  -1.774
   41   1HD2  LEU  12          HD11      LEU  12  -6.184   8.947   0.419
   42   2HD2  LEU  12          HD12      LEU  12  -6.370   7.175   0.863
   43   3HD2  LEU  12          HD13      LEU  12  -7.726   8.180   0.291
   44    H    ARG  13           HN       ARG  13  -5.632   5.105  -2.451
   45    HA   ARG  13           HA       ARG  13  -5.993   2.226  -1.687
   46   1HB   ARG  13          HB2       ARG  13  -3.487   3.247  -3.035
   47   2HB   ARG  13          HB1       ARG  13  -4.115   1.586  -2.897
   48   1HG   ARG  13          HG2       ARG  13  -5.304   3.873  -4.604
   49   2HG   ARG  13          HG1       ARG  13  -4.235   2.567  -5.167
   50   1HD   ARG  13          HD2       ARG  13  -5.982   0.858  -4.443
   51   2HD   ARG  13          HD1       ARG  13  -7.143   2.219  -4.181
   52    HE   ARG  13           HE       ARG  13  -6.223   1.062  -6.720
   53   1HH1  ARG  13          HH11      ARG  13  -7.374   4.149  -5.311
   54   2HH1  ARG  13          HH12      ARG  13  -7.948   4.763  -6.826
   55   1HH2  ARG  13          HH21      ARG  13  -7.000   1.911  -8.718
   56   2HH2  ARG  13          HH22      ARG  13  -7.734   3.479  -8.780
   57    H    VAL  14           HN       VAL  14  -4.935   1.512   0.359
   58    HA   VAL  14           HA       VAL  14  -3.120   3.517   1.426
   59    HB   VAL  14           HB       VAL  14  -3.925   3.704   3.592
   60   1HG1  VAL  14          HG21      VAL  14  -6.319   3.995   1.707
   61   2HG1  VAL  14          HG22      VAL  14  -4.955   5.155   1.702
   62   3HG1  VAL  14          HG23      VAL  14  -5.984   4.995   3.174
   63   1HG2  VAL  14          HG11      VAL  14  -6.028   2.971   4.458
   64   2HG2  VAL  14          HG12      VAL  14  -5.018   1.536   4.085
   65   3HG2  VAL  14          HG13      VAL  14  -6.390   2.040   2.997
   66    H    VAL  15           HN       VAL  15  -1.656   3.046   3.072
   67    HA   VAL  15           HA       VAL  15  -0.760   0.240   3.068
   68    HB   VAL  15           HB       VAL  15   1.562   1.104   3.474
   69   1HG1  VAL  15          HG21      VAL  15   1.904   1.173   0.984
   70   2HG1  VAL  15          HG22      VAL  15   0.127   1.427   0.759
   71   3HG1  VAL  15          HG23      VAL  15   0.746  -0.117   1.478
   72   1HG2  VAL  15          HG11      VAL  15   1.200   3.488   3.886
   73   2HG2  VAL  15          HG12      VAL  15   0.286   3.687   2.343
   74   3HG2  VAL  15          HG13      VAL  15   2.032   3.285   2.299
   75    H    ALA  16           HN       ALA  16  -0.019  -0.612   4.965
   76    HA   ALA  16           HA       ALA  16  -1.210   0.715   7.303
   77   1HB   ALA  16          HB1       ALA  16  -1.580  -2.035   7.607
   78   2HB   ALA  16          HB2       ALA  16  -1.582  -1.902   5.803
   79   3HB   ALA  16          HB3       ALA  16  -2.720  -0.954   6.735
   80    H    LYS  17           HN       LYS  17   0.223   1.523   8.522
   81    HA   LYS  17           HA       LYS  17   2.298  -0.200   9.673
   82   1HB   LYS  17          HB2       LYS  17   3.349   2.406   9.707
   83   2HB   LYS  17          HB1       LYS  17   3.905   0.992   8.754
   84   1HG   LYS  17          HG1       LYS  17   3.221   2.034   6.700
   85   2HG   LYS  17          HG2       LYS  17   1.746   2.582   7.424
   86   1HD   LYS  17          HD1       LYS  17   2.746   4.579   7.036
   87   2HD   LYS  17          HD2       LYS  17   2.993   4.329   8.787
   88   1HE   LYS  17          HE2       LYS  17   5.386   3.510   8.257
   89   2HE   LYS  17          HE1       LYS  17   5.063   3.968   6.526
   90   1HZ   LYS  17          HZ1       LYS  17   4.676   6.213   7.244
   91   2HZ   LYS  17          HZ2       LYS  17   6.215   5.682   7.729
   92   3HZ   LYS  17          HZ3       LYS  17   4.957   5.797   8.865
   93    H    TRP  18           HN       TRP  18   0.919  -0.470  11.707
   94    HA   TRP  18           HA       TRP  18  -0.141   1.893  13.004
   95   1HB   TRP  18          HB2       TRP  18   0.272  -0.955  14.101
   96   2HB   TRP  18          HB1       TRP  18  -0.393   0.391  15.055
   97    HD1  TRP  18           HD1      TRP  18  -1.709  -2.400  12.878
   98    HE1  TRP  18           HE1      TRP  18  -4.295  -2.123  13.093
   99    HE3  TRP  18           HE3      TRP  18  -1.805   2.361  14.627
  100    HZ2  TRP  18           HZ2      TRP  18  -6.083  -0.082  13.893
  101    HZ3  TRP  18           HZ3      TRP  18  -3.896   3.291  15.317
  102    HH2  TRP  18           HH2      TRP  18  -6.044   2.127  14.897
  103    H    SER  19           HN       SER  19   2.670  -0.268  13.819
  104    HA   SER  19           HA       SER  19   4.092   2.048  14.952
  105   1HB   SER  19          HB1       SER  19   5.409   0.369  16.342
  106   2HB   SER  19          HB2       SER  19   3.711   0.651  16.855
  107    HG   SER  19           HG       SER  19   4.202  -1.544  16.902
  108    H    SER  20           HN       SER  20   5.991   2.464  13.835
  109    HA   SER  20           HA       SER  20   6.334   1.482  11.258
  110   1HB   SER  20          HB1       SER  20   8.356   2.996  13.054
  111   2HB   SER  20          HB2       SER  20   8.418   2.883  11.249
  112    HG   SER  20           HG       SER  20   7.504   4.813  11.911
  113    H    ASN  21           HN       ASN  21   7.076  -0.610  10.752
  114    HA   ASN  21           HA       ASN  21   8.953  -1.883  12.611
  115   1HB   ASN  21          HB1       ASN  21   7.445  -2.867  10.090
  116   2HB   ASN  21          HB2       ASN  21   8.333  -3.987  11.221
  117   1HD2  ASN  21          HD21      ASN  21   7.490  -3.242  13.755
  118   2HD2  ASN  21          HD22      ASN  21   5.741  -3.318  13.822
  119    H    GLY  22           HN       GLY  22   9.103  -0.409   9.623
  120   1HA   GLY  22          HA2       GLY  22  11.150  -0.221   8.346
  121   2HA   GLY  22          HA1       GLY  22  11.499  -1.929   8.735
  122    H    TYR  23           HN       TYR  23   8.378  -2.371   8.470
  123    HA   TYR  23           HA       TYR  23   7.929  -1.658   5.746
  124   1HB   TYR  23          HB2       TYR  23   7.048  -4.007   5.084
  125   2HB   TYR  23          HB1       TYR  23   8.755  -3.458   4.980
  126    HD1  TYR  23           HD1      TYR  23  10.186  -5.185   5.550
  127    HD2  TYR  23           HD2      TYR  23   6.507  -4.916   7.674
  128    HE1  TYR  23           HE1      TYR  23  10.778  -7.185   6.833
  129    HE2  TYR  23           HE2      TYR  23   7.111  -6.865   9.002
  130    HH   TYR  23           HH       TYR  23   8.601  -8.518   9.324
  131    H    PHE  24           HN       PHE  24   5.844  -1.876   4.861
  132    HA   PHE  24           HA       PHE  24   3.671  -1.694   6.868
  133   1HB   PHE  24          HB1       PHE  24   2.898  -0.262   4.402
  134   2HB   PHE  24          HB2       PHE  24   2.780   0.175   6.103
  135    HD1  PHE  24           HD1      PHE  24   5.364   0.456   7.066
  136    HD2  PHE  24           HD2      PHE  24   3.874   1.793   3.221
  137    HE1  PHE  24           HE1      PHE  24   7.350   1.769   6.763
  138    HE2  PHE  24           HE2      PHE  24   5.648   3.337   3.171
  139    HZ   PHE  24           HZ       PHE  24   7.554   3.196   4.820
  140    H    TYR  25           HN       TYR  25   1.743  -2.492   6.350
  141    HA   TYR  25           HA       TYR  25   1.427  -4.725   4.501
  142   1HB   TYR  25          HB1       TYR  25  -0.383  -3.921   6.856
  143   2HB   TYR  25          HB2       TYR  25  -0.180  -5.554   6.103
  144    HD1  TYR  25           HD1      TYR  25   0.725  -3.518   8.833
  145    HD2  TYR  25           HD2      TYR  25   2.433  -6.351   6.147
  146    HE1  TYR  25           HE1      TYR  25   2.712  -3.656  10.245
  147    HE2  TYR  25           HE2      TYR  25   4.409  -6.518   7.590
  148    HH   TYR  25           HH       TYR  25   4.939  -4.307  10.333
  149    H    SER  26           HN       SER  26  -1.291  -4.710   3.963
  150    HA   SER  26           HA       SER  26  -1.725  -1.995   2.767
  151   1HB   SER  26          HB1       SER  26  -0.803  -3.717   1.186
  152   2HB   SER  26          HB2       SER  26  -2.353  -4.579   1.543
  153    HG   SER  26           HG       SER  26  -1.929  -2.011   0.253
  154    H    GLY  27           HN       GLY  27  -3.502  -1.150   2.284
  155   1HA   GLY  27          HA2       GLY  27  -6.031  -1.926   3.347
  156   2HA   GLY  27          HA1       GLY  27  -5.244  -0.422   3.895
  157    H    LYS  28           HN       LYS  28  -7.766  -0.362   3.094
  158    HA   LYS  28           HA       LYS  28  -7.711   1.210   0.600
  159   1HB   LYS  28          HB2       LYS  28  -9.958   0.353  -0.117
  160   2HB   LYS  28          HB1       LYS  28  -8.664  -0.858  -0.170
  161   1HG   LYS  28          HG2       LYS  28  -9.392  -1.867   1.967
  162   2HG   LYS  28          HG1       LYS  28 -10.762  -0.716   2.072
  163   1HD   LYS  28          HD1       LYS  28 -11.664  -1.587  -0.104
  164   2HD   LYS  28          HD2       LYS  28 -10.252  -2.695  -0.241
  165   1HE   LYS  28          HE2       LYS  28 -10.957  -3.889   1.852
  166   2HE   LYS  28          HE1       LYS  28 -12.395  -2.794   1.989
  167   1HZ   LYS  28          HZ1       LYS  28 -12.941  -4.876   0.961
  168   2HZ   LYS  28          HZ2       LYS  28 -11.791  -4.637  -0.266
  169   3HZ   LYS  28          HZ3       LYS  28 -13.136  -3.606  -0.151
  170    H    ILE  29           HN       ILE  29  -8.923   3.362   0.821
  171    HA   ILE  29           HA       ILE  29 -10.334   3.534   3.422
  172    HB   ILE  29           HB       ILE  29  -8.445   4.812   3.444
  173   1HG1  ILE  29          HG12      ILE  29 -10.722   6.048   4.118
  174   2HG1  ILE  29          HG11      ILE  29  -9.142   6.843   4.074
  175   1HG2  ILE  29          HG21      ILE  29  -9.366   5.814   0.698
  176   2HG2  ILE  29          HG22      ILE  29  -7.900   4.833   1.020
  177   3HG2  ILE  29          HG23      ILE  29  -8.006   6.484   1.681
  178   1HD1  ILE  29          HD11      ILE  29 -11.340   7.177   1.964
  179   2HD1  ILE  29          HD12      ILE  29  -9.672   7.817   1.791
  180   3HD1  ILE  29          HD13      ILE  29 -10.675   8.393   3.114
  181    H    THR  30           HN       THR  30 -12.279   4.490   3.649
  182    HA   THR  30           HA       THR  30 -14.032   4.456   1.288
  183    HB   THR  30           HB       THR  30 -15.826   3.859   2.838
  184    HG1  THR  30           HG1      THR  30 -15.257   3.351   4.979
  185   1HG2  THR  30          HG21      THR  30 -13.348   2.059   3.352
  186   2HG2  THR  30          HG22      THR  30 -14.307   2.048   1.832
  187   3HG2  THR  30          HG23      THR  30 -15.080   1.574   3.391
  188    H    ARG  31           HN       ARG  31 -13.163   6.409   4.326
  189    HA   ARG  31           HA       ARG  31 -14.567   8.654   3.042
  190   1HB   ARG  31          HB1       ARG  31 -14.968   7.897   6.037
  191   2HB   ARG  31          HB2       ARG  31 -15.674   9.302   5.165
  192   1HG   ARG  31          HG2       ARG  31 -17.168   7.719   3.908
  193   2HG   ARG  31          HG1       ARG  31 -16.371   6.335   4.744
  194   1HD   ARG  31          HD2       ARG  31 -18.469   6.832   5.923
  195   2HD   ARG  31          HD1       ARG  31 -17.044   7.268   6.978
  196    HE   ARG  31           HE       ARG  31 -17.968   9.539   5.357
  197   1HH1  ARG  31          HH11      ARG  31 -18.689   7.691   8.333
  198   2HH1  ARG  31          HH12      ARG  31 -19.458   9.023   9.130
  199   1HH2  ARG  31          HH21      ARG  31 -19.005  11.312   6.447
  200   2HH2  ARG  31          HH22      ARG  31 -19.640  11.104   8.046
  201    H    ASP  32           HN       ASP  32 -13.683  10.724   3.985
  202    HA   ASP  32           HA       ASP  32 -10.954  10.338   5.027
  203   1HB   ASP  32          HB2       ASP  32 -11.456  11.720   2.915
  204   2HB   ASP  32          HB1       ASP  32 -12.246  12.928   3.979
  205    H    VAL  33           HN       VAL  33 -10.468  10.771   7.139
  206    HA   VAL  33           HA       VAL  33 -12.472  12.179   8.812
  207    HB   VAL  33           HB       VAL  33 -11.115  11.111  10.792
  208   1HG1  VAL  33          HG21      VAL  33 -13.239   9.564   9.185
  209   2HG1  VAL  33          HG22      VAL  33 -13.571  11.013  10.209
  210   3HG1  VAL  33          HG23      VAL  33 -12.936   9.513  10.959
  211   1HG2  VAL  33          HG11      VAL  33  -9.957   9.005  10.519
  212   2HG2  VAL  33          HG12      VAL  33  -9.625   9.647   8.960
  213   3HG2  VAL  33          HG13      VAL  33 -10.982   8.529   9.176
  214    H    GLY  34           HN       GLY  34 -11.880  13.984   9.844
  215   1HA   GLY  34          HA2       GLY  34 -10.957  15.994   9.932
  216   2HA   GLY  34          HA1       GLY  34  -9.787  15.022  10.881
  217    H    ALA  35           HN       ALA  35  -7.874  16.072  10.702
  218    HA   ALA  35           HA       ALA  35  -6.813  16.767   8.010
  219   1HB   ALA  35          HB1       ALA  35  -6.980  18.708   9.664
  220   2HB   ALA  35          HB2       ALA  35  -5.277  18.278   9.285
  221   3HB   ALA  35          HB3       ALA  35  -6.020  17.748  10.845
  222    H    GLY  36           HN       GLY  36  -5.793  15.254   7.158
  223   1HA   GLY  36          HA2       GLY  36  -4.154  13.872   6.770
  224   2HA   GLY  36          HA1       GLY  36  -3.529  14.071   8.443
  225    H    LYS  37           HN       LYS  37  -6.876  12.993   8.370
  226    HA   LYS  37           HA       LYS  37  -5.899  10.249   8.848
  227   1HB   LYS  37          HB2       LYS  37  -8.231  10.239  10.211
  228   2HB   LYS  37          HB1       LYS  37  -6.624  10.291  10.878
  229   1HG   LYS  37          HG2       LYS  37  -6.804  12.736  11.248
  230   2HG   LYS  37          HG1       LYS  37  -8.399  12.754  10.495
  231   1HD   LYS  37          HD1       LYS  37  -9.251  11.038  12.139
  232   2HD   LYS  37          HD2       LYS  37  -7.663  11.071  12.950
  233   1HE   LYS  37          HE2       LYS  37  -7.925  13.504  13.491
  234   2HE   LYS  37          HE1       LYS  37  -9.509  13.542  12.618
  235   1HZ   LYS  37          HZ1       LYS  37 -10.344  11.920  14.184
  236   2HZ   LYS  37          HZ2       LYS  37  -9.781  13.311  14.979
  237   3HZ   LYS  37          HZ3       LYS  37  -8.856  11.886  15.002
  238    H    TYR  38           HN       TYR  38  -7.380   8.520   8.589
  239    HA   TYR  38           HA       TYR  38  -9.009   8.649   6.140
  240   1HB   TYR  38          HB1       TYR  38  -6.589   6.814   6.799
  241   2HB   TYR  38          HB2       TYR  38  -7.654   6.549   5.377
  242    HD1  TYR  38           HD1      TYR  38  -4.749   8.229   6.563
  243    HD2  TYR  38           HD2      TYR  38  -7.989   8.737   3.863
  244    HE1  TYR  38           HE1      TYR  38  -3.383   9.844   5.257
  245    HE2  TYR  38           HE2      TYR  38  -6.799  10.583   2.795
  246    HH   TYR  38           HH       TYR  38  -3.512  11.400   3.347
  247    H    LYS  39           HN       LYS  39 -11.002   7.241   6.294
  248    HA   LYS  39           HA       LYS  39 -11.296   5.446   8.701
  249   1HB   LYS  39          HB1       LYS  39 -13.039   7.198   8.829
  250   2HB   LYS  39          HB2       LYS  39 -13.169   7.283   7.053
  251   1HG   LYS  39          HG1       LYS  39 -15.177   6.223   7.967
  252   2HG   LYS  39          HG2       LYS  39 -14.268   5.096   6.912
  253   1HD   LYS  39          HD2       LYS  39 -13.296   4.014   9.038
  254   2HD   LYS  39          HD1       LYS  39 -14.448   5.004   9.993
  255   1HE   LYS  39          HE2       LYS  39 -15.263   3.187   7.623
  256   2HE   LYS  39          HE1       LYS  39 -15.195   2.581   9.328
  257   1HZ   LYS  39          HZ1       LYS  39 -16.811   4.276   9.919
  258   2HZ   LYS  39          HZ2       LYS  39 -17.400   3.263   8.690
  259   3HZ   LYS  39          HZ3       LYS  39 -16.866   4.831   8.314
  260    H    LEU  40           HN       LEU  40 -10.639   3.703   8.199
  261    HA   LEU  40           HA       LEU  40 -10.966   2.863   5.383
  262   1HB   LEU  40          HB1       LEU  40  -8.526   2.592   5.219
  263   2HB   LEU  40          HB2       LEU  40  -8.870   4.233   5.832
  264    HG   LEU  40           HG       LEU  40  -7.333   3.801   7.349
  265   1HD1  LEU  40          HD11      LEU  40  -7.709   2.842   9.469
  266   2HD1  LEU  40          HD12      LEU  40  -9.255   2.137   8.883
  267   3HD1  LEU  40          HD13      LEU  40  -8.993   3.969   8.949
  268   1HD2  LEU  40          HD21      LEU  40  -6.702   1.580   6.092
  269   2HD2  LEU  40          HD22      LEU  40  -7.876   0.742   7.113
  270   3HD2  LEU  40          HD23      LEU  40  -6.470   1.483   7.912
  271    H    LEU  41           HN       LEU  41 -10.155   0.674   4.826
  272    HA   LEU  41           HA       LEU  41 -10.200  -1.048   7.183
  273   1HB   LEU  41          HB2       LEU  41 -12.328  -0.615   6.346
  274   2HB   LEU  41          HB1       LEU  41 -11.963  -1.080   4.639
  275    HG   LEU  41           HG       LEU  41 -12.014  -3.058   7.032
  276   1HD1  LEU  41          HD11      LEU  41 -14.077  -2.692   4.740
  277   2HD1  LEU  41          HD12      LEU  41 -14.305  -2.154   6.445
  278   3HD1  LEU  41          HD13      LEU  41 -14.131  -3.908   6.071
  279   1HD2  LEU  41          HD21      LEU  41 -12.306  -4.568   4.723
  280   2HD2  LEU  41          HD22      LEU  41 -10.701  -4.181   5.457
  281   3HD2  LEU  41          HD23      LEU  41 -11.315  -3.228   4.060
  282    H    PHE  42           HN       PHE  42  -8.858  -2.925   6.956
  283    HA   PHE  42           HA       PHE  42  -6.710  -2.380   5.063
  284   1HB   PHE  42          HB2       PHE  42  -7.180  -4.850   6.853
  285   2HB   PHE  42          HB1       PHE  42  -5.819  -4.819   5.655
  286    HD1  PHE  42           HD1      PHE  42  -6.823  -1.760   7.783
  287    HD2  PHE  42           HD2      PHE  42  -4.163  -5.074   7.183
  288    HE1  PHE  42           HE1      PHE  42  -5.304  -0.865   9.426
  289    HE2  PHE  42           HE2      PHE  42  -2.697  -4.188   8.918
  290    HZ   PHE  42           HZ       PHE  42  -3.245  -2.052  10.034
  291    H    ASP  43           HN       ASP  43  -5.832  -4.240   3.386
  292    HA   ASP  43           HA       ASP  43  -7.948  -4.700   1.507
  293   1HB   ASP  43          HB2       ASP  43  -5.556  -4.246   0.887
  294   2HB   ASP  43          HB1       ASP  43  -5.097  -5.862   1.505
  295    H    ASP  44           HN       ASP  44  -7.268  -6.269   4.235
  296    HA   ASP  44           HA       ASP  44  -8.547  -8.817   3.502
  297   1HB   ASP  44          HB1       ASP  44  -6.907 -10.015   4.842
  298   2HB   ASP  44          HB2       ASP  44  -6.138  -8.937   3.580
  299    H    GLY  45           HN       GLY  45  -9.658  -6.104   4.981
  300   1HA   GLY  45          HA2       GLY  45 -11.714  -6.191   5.833
  301   2HA   GLY  45          HA1       GLY  45 -11.428  -7.812   6.611
  302    H    TYR  46           HN       TYR  46  -9.027  -5.629   7.630
  303    HA   TYR  46           HA       TYR  46 -10.419  -5.353  10.210
  304   1HB   TYR  46          HB1       TYR  46  -8.105  -6.278  10.233
  305   2HB   TYR  46          HB2       TYR  46  -7.494  -4.812   9.396
  306    HD1  TYR  46           HD1      TYR  46  -6.903  -2.903  10.645
  307    HD2  TYR  46           HD2      TYR  46  -9.252  -5.914  12.524
  308    HE1  TYR  46           HE1      TYR  46  -6.845  -1.645  12.710
  309    HE2  TYR  46           HE2      TYR  46  -9.159  -4.664  14.639
  310    HH   TYR  46           HH       TYR  46  -8.390  -2.797  15.687
  311    H    GLU  47           HN       GLU  47 -11.859  -3.569  10.222
  312    HA   GLU  47           HA       GLU  47 -10.845  -1.043   9.129
  313   1HB   GLU  47          HB1       GLU  47 -12.799  -1.523   8.087
  314   2HB   GLU  47          HB2       GLU  47 -13.638  -2.075   9.469
  315   1HG   GLU  47          HG1       GLU  47 -13.923   0.392  10.160
  316   2HG   GLU  47          HG2       GLU  47 -12.712   0.913   8.915
  317    H    CYS  48           HN       CYS  48 -11.013   1.029   9.959
  318    HA   CYS  48           HA       CYS  48 -11.349   1.350  12.780
  319   1HB   CYS  48          HB2       CYS  48  -8.750   2.017  12.915
  320   2HB   CYS  48          HB1       CYS  48  -9.249   0.317  13.173
  321    HG   CYS  48           HG       CYS  48  -8.577  -0.559  10.906
  322    H    ASP  49           HN       ASP  49 -10.289   3.744  13.189
  323    HA   ASP  49           HA       ASP  49 -10.220   5.239  10.641
  324   1HB   ASP  49          HB1       ASP  49 -11.090   6.500  13.438
  325   2HB   ASP  49          HB2       ASP  49 -10.722   7.351  11.923
  326    H    VAL  50           HN       VAL  50  -8.167   6.432  10.700
  327    HA   VAL  50           HA       VAL  50  -6.736   6.525  13.215
  328    HB   VAL  50           HB       VAL  50  -4.626   5.482  11.966
  329   1HG1  VAL  50          HG21      VAL  50  -5.211   3.233  12.317
  330   2HG1  VAL  50          HG22      VAL  50  -6.979   3.566  12.154
  331   3HG1  VAL  50          HG23      VAL  50  -6.072   4.236  13.563
  332   1HG2  VAL  50          HG11      VAL  50  -5.714   3.971   9.950
  333   2HG2  VAL  50          HG12      VAL  50  -5.008   5.613   9.652
  334   3HG2  VAL  50          HG13      VAL  50  -6.774   5.418   9.743
  335    H    LEU  51           HN       LEU  51  -4.633   7.832  13.121
  336    HA   LEU  51           HA       LEU  51  -4.807   9.868  11.079
  337   1HB   LEU  51          HB2       LEU  51  -4.338  10.105  13.719
  338   2HB   LEU  51          HB1       LEU  51  -2.657   9.635  13.316
  339    HG   LEU  51           HG       LEU  51  -2.946  12.002  13.668
  340   1HD1  LEU  51          HD21      LEU  51  -2.517  11.783  10.615
  341   2HD1  LEU  51          HD22      LEU  51  -1.262  11.431  11.870
  342   3HD1  LEU  51          HD23      LEU  51  -1.972  13.075  11.716
  343   1HD2  LEU  51          HD11      LEU  51  -4.362  13.488  12.271
  344   2HD2  LEU  51          HD12      LEU  51  -5.370  12.183  13.009
  345   3HD2  LEU  51          HD13      LEU  51  -4.876  12.085  11.279
  346    H    GLY  52           HN       GLY  52  -3.487  10.391   9.544
  347   1HA   GLY  52          HA2       GLY  52  -3.468   8.184   8.162
  348   2HA   GLY  52          HA1       GLY  52  -2.792   9.701   7.562
  349    H    LYS  53           HN       LYS  53  -0.494   9.885   9.450
  350    HA   LYS  53           HA       LYS  53   1.472   8.733   7.800
  351   1HB   LYS  53          HB1       LYS  53   3.056   9.615   9.207
  352   2HB   LYS  53          HB2       LYS  53   1.662  10.702   9.422
  353   1HG   LYS  53          HG1       LYS  53   2.696   8.555  11.412
  354   2HG   LYS  53          HG2       LYS  53   2.892  10.322  11.538
  355   1HD   LYS  53          HD2       LYS  53   0.589  10.676  12.071
  356   2HD   LYS  53          HD1       LYS  53   0.106   9.004  11.561
  357   1HE   LYS  53          HE2       LYS  53   0.104   9.114  14.005
  358   2HE   LYS  53          HE1       LYS  53   1.407   8.008  13.440
  359   1HZ   LYS  53          HZ1       LYS  53   2.989   9.798  13.757
  360   2HZ   LYS  53          HZ2       LYS  53   2.148   9.453  15.192
  361   3HZ   LYS  53          HZ3       LYS  53   1.759  10.839  14.291
  362    H    ASP  54           HN       ASP  54  -0.533   6.899   9.501
  363    HA   ASP  54           HA       ASP  54   1.103   4.612  10.144
  364   1HB   ASP  54          HB1       ASP  54  -1.715   5.339  11.256
  365   2HB   ASP  54          HB2       ASP  54  -0.821   3.820  11.615
  366    H    ILE  55           HN       ILE  55  -2.446   5.234   9.234
  367    HA   ILE  55           HA       ILE  55  -2.035   3.234   7.095
  368    HB   ILE  55           HB       ILE  55  -4.735   3.409   8.272
  369   1HG1  ILE  55          HG11      ILE  55  -3.326   3.158  10.315
  370   2HG1  ILE  55          HG12      ILE  55  -4.390   1.786   9.941
  371   1HG2  ILE  55          HG21      ILE  55  -4.458   2.145   6.240
  372   2HG2  ILE  55          HG22      ILE  55  -4.519   0.917   7.563
  373   3HG2  ILE  55          HG23      ILE  55  -2.967   1.359   6.803
  374   1HD1  ILE  55          HD11      ILE  55  -2.450   0.407   9.190
  375   2HD1  ILE  55          HD12      ILE  55  -2.189   1.045  10.847
  376   3HD1  ILE  55          HD13      ILE  55  -1.312   1.770   9.482
  377    H    LEU  56           HN       LEU  56  -1.751   4.379   5.327
  378    HA   LEU  56           HA       LEU  56  -3.473   6.716   4.785
  379   1HB   LEU  56          HB2       LEU  56  -1.843   7.904   5.439
  380   2HB   LEU  56          HB1       LEU  56  -0.718   6.494   5.544
  381    HG   LEU  56           HG       LEU  56  -1.019   8.368   3.153
  382   1HD1  LEU  56          HD11      LEU  56   1.007   8.046   5.436
  383   2HD1  LEU  56          HD12      LEU  56  -0.312   9.268   5.375
  384   3HD1  LEU  56          HD13      LEU  56   0.975   9.281   4.165
  385   1HD2  LEU  56          HD21      LEU  56   1.265   7.240   2.495
  386   2HD2  LEU  56          HD22      LEU  56  -0.146   6.318   2.141
  387   3HD2  LEU  56          HD23      LEU  56   0.781   5.888   3.579
  388    H    LEU  57           HN       LEU  57  -3.565   7.857   2.799
  389    HA   LEU  57           HA       LEU  57  -3.959   6.664   0.492
  390   1HB   LEU  57          HB2       LEU  57  -4.276   8.760  -0.207
  391   2HB   LEU  57          HB1       LEU  57  -4.533   8.916   1.561
  392    HG   LEU  57           HG       LEU  57  -3.855  10.912   0.910
  393   1HD1  LEU  57          HD21      LEU  57  -1.670  11.422   1.849
  394   2HD1  LEU  57          HD22      LEU  57  -1.160   9.712   1.617
  395   3HD1  LEU  57          HD23      LEU  57  -2.453  10.057   2.788
  396   1HD2  LEU  57          HD11      LEU  57  -2.150  11.634  -0.645
  397   2HD2  LEU  57          HD12      LEU  57  -3.299  10.500  -1.442
  398   3HD2  LEU  57          HD13      LEU  57  -1.646   9.951  -0.990
  399    H    CYS  58           HN       CYS  58  -2.644   5.438  -0.599
  400    HA   CYS  58           HA       CYS  58  -0.101   6.380  -1.510
  401   1HB   CYS  58          HB1       CYS  58  -0.686   4.554   0.526
  402   2HB   CYS  58          HB2       CYS  58  -0.638   3.453  -0.851
  403    HG   CYS  58           HG       CYS  58   1.858   4.413  -1.603
  404    H    ASP  59           HN       ASP  59   0.318   4.961  -3.281
  405    HA   ASP  59           HA       ASP  59  -1.699   4.713  -5.431
  406   1HB   ASP  59          HB2       ASP  59   0.949   5.535  -5.733
  407   2HB   ASP  59          HB1       ASP  59   1.061   3.821  -6.251
  408    HA   PRO  60           HA       PRO  60   0.483   3.172  -2.401
  409   1HB   PRO  60          HB2       PRO  60   2.198   0.925  -2.055
  410   2HB   PRO  60          HB1       PRO  60   0.669   1.262  -1.221
  411   1HG   PRO  60          HG2       PRO  60   1.047  -0.368  -3.790
  412   2HG   PRO  60          HG1       PRO  60   0.138  -0.827  -2.288
  413   1HD   PRO  60          HD1       PRO  60  -1.347   0.172  -4.297
  414   2HD   PRO  60          HD2       PRO  60  -1.518   0.922  -2.690
  415    H    ILE  61           HN       ILE  61   2.705   1.353  -4.555
  416    HA   ILE  61           HA       ILE  61   4.336   3.766  -4.057
  417    HB   ILE  61           HB       ILE  61   4.778   0.837  -4.119
  418   1HG1  ILE  61          HG12      ILE  61   3.845   2.392  -2.082
  419   2HG1  ILE  61          HG11      ILE  61   5.057   1.092  -1.879
  420   1HG2  ILE  61          HG21      ILE  61   6.955   1.866  -5.048
  421   2HG2  ILE  61          HG22      ILE  61   7.125   1.347  -3.296
  422   3HG2  ILE  61          HG23      ILE  61   6.974   3.061  -3.723
  423   1HD1  ILE  61          HD11      ILE  61   5.245   3.518  -0.716
  424   2HD1  ILE  61          HD12      ILE  61   5.942   4.013  -2.284
  425   3HD1  ILE  61          HD13      ILE  61   6.702   2.683  -1.373
  426    HA   PRO  62           HA       PRO  62   5.011   5.076  -8.120
  427   1HB   PRO  62          HB2       PRO  62   8.058   4.685  -7.420
  428   2HB   PRO  62          HB1       PRO  62   7.236   6.146  -8.122
  429   1HG   PRO  62          HG1       PRO  62   7.864   5.533  -5.305
  430   2HG   PRO  62          HG2       PRO  62   6.836   6.832  -5.878
  431   1HD   PRO  62          HD1       PRO  62   6.118   4.591  -4.475
  432   2HD   PRO  62          HD2       PRO  62   4.960   5.697  -5.355
  433    H    LEU  63           HN       LEU  63   4.674   3.987  -9.928
  434    HA   LEU  63           HA       LEU  63   5.019   1.521 -10.733
  435   1HB   LEU  63          HB1       LEU  63   4.355   4.154 -12.138
  436   2HB   LEU  63          HB2       LEU  63   4.109   2.544 -12.899
  437    HG   LEU  63           HG       LEU  63   2.967   1.980 -10.495
  438   1HD1  LEU  63          HD21      LEU  63   2.962   4.183  -9.346
  439   2HD1  LEU  63          HD22      LEU  63   1.327   3.829  -9.921
  440   3HD1  LEU  63          HD23      LEU  63   2.342   4.986 -10.847
  441   1HD2  LEU  63          HD11      LEU  63   2.259   1.659 -12.767
  442   2HD2  LEU  63          HD12      LEU  63   1.713   3.369 -12.894
  443   3HD2  LEU  63          HD13      LEU  63   0.869   2.225 -11.741
  444    H    ASP  64           HN       ASP  64   7.324   2.507 -10.277
  445    HA   ASP  64           HA       ASP  64   9.270   1.482 -12.329
  446   1HB   ASP  64          HB2       ASP  64   8.979   4.005 -10.584
  447   2HB   ASP  64          HB1       ASP  64  10.630   3.630 -11.173
  448    H    THR  65           HN       THR  65   8.085   0.544  -9.357
  449    HA   THR  65           HA       THR  65  10.574   0.896  -7.878
  450    HB   THR  65           HB       THR  65   7.852   0.952  -6.653
  451    HG1  THR  65           HG1      THR  65   8.365   2.823  -7.557
  452   1HG2  THR  65          HG21      THR  65   9.268   1.688  -4.613
  453   2HG2  THR  65          HG22      THR  65  10.713   1.059  -5.468
  454   3HG2  THR  65          HG23      THR  65   9.364  -0.056  -4.975
  455    H    GLU  66           HN       GLU  66  11.586  -0.548  -7.652
  456    HA   GLU  66           HA       GLU  66  10.954  -3.325  -7.155
  457   1HB   GLU  66          HB2       GLU  66  13.163  -2.390  -7.925
  458   2HB   GLU  66          HB1       GLU  66  13.306  -1.494  -6.389
  459   1HG   GLU  66          HG2       GLU  66  14.841  -3.226  -6.227
  460   2HG   GLU  66          HG1       GLU  66  13.499  -3.747  -5.167
  461    H    VAL  67           HN       VAL  67   9.319  -3.406  -5.756
  462    HA   VAL  67           HA       VAL  67   9.246  -2.574  -2.917
  463    HB   VAL  67           HB       VAL  67   6.772  -3.936  -3.501
  464   1HG1  VAL  67          HG11      VAL  67   7.258  -0.947  -3.213
  465   2HG1  VAL  67          HG12      VAL  67   7.209  -2.201  -1.885
  466   3HG1  VAL  67          HG13      VAL  67   5.752  -1.923  -2.852
  467   1HG2  VAL  67          HG21      VAL  67   7.156  -1.779  -5.623
  468   2HG2  VAL  67          HG22      VAL  67   5.768  -2.884  -5.327
  469   3HG2  VAL  67          HG23      VAL  67   7.299  -3.559  -5.991
  470    H    THR  68           HN       THR  68   7.931  -4.334  -1.650
  471    HA   THR  68           HA       THR  68   9.358  -6.873  -2.378
  472    HB   THR  68           HB       THR  68  10.144  -6.317  -0.318
  473    HG1  THR  68           HG1      THR  68   9.345  -8.513  -0.549
  474   1HG2  THR  68          HG21      THR  68   7.197  -5.769  -0.008
  475   2HG2  THR  68          HG22      THR  68   8.519  -4.621   0.255
  476   3HG2  THR  68          HG23      THR  68   8.270  -5.989   1.471
  477    H    ALA  69           HN       ALA  69   8.436  -8.760  -2.677
  478    HA   ALA  69           HA       ALA  69   5.502  -8.806  -3.118
  479   1HB   ALA  69          HB1       ALA  69   6.190 -10.800  -4.568
  480   2HB   ALA  69          HB2       ALA  69   7.918 -10.413  -4.143
  481   3HB   ALA  69          HB3       ALA  69   6.940  -9.230  -5.074
  482    H    LEU  70           HN       LEU  70   4.328 -10.292  -1.826
  483    HA   LEU  70           HA       LEU  70   5.860 -11.310   0.452
  484   1HB   LEU  70          HB2       LEU  70   3.680  -9.983   0.569
  485   2HB   LEU  70          HB1       LEU  70   2.920 -11.562   0.261
  486    HG   LEU  70           HG       LEU  70   3.035 -10.877   2.649
  487   1HD1  LEU  70          HD21      LEU  70   4.760 -13.384   2.373
  488   2HD1  LEU  70          HD22      LEU  70   2.974 -13.339   2.095
  489   3HD1  LEU  70          HD23      LEU  70   3.670 -12.924   3.713
  490   1HD2  LEU  70          HD11      LEU  70   5.113  -9.635   2.813
  491   2HD2  LEU  70          HD12      LEU  70   6.103 -11.108   2.462
  492   3HD2  LEU  70          HD13      LEU  70   5.150 -10.990   3.979
  493    H    SER  71           HN       SER  71   6.671 -13.009   0.543
  494    HA   SER  71           HA       SER  71   5.657 -15.619  -0.067
  495   1HB   SER  71          HB1       SER  71   8.342 -14.508  -1.111
  496   2HB   SER  71          HB2       SER  71   8.158 -16.257  -0.717
  497    HG   SER  71           HG       SER  71   6.484 -14.842  -2.532
  498    H    GLU  72           HN       GLU  72   7.077 -17.080   1.367
  499    HA   GLU  72           HA       GLU  72   7.071 -16.713   3.969
  500   1HB   GLU  72          HB1       GLU  72   9.499 -18.234   3.202
  501   2HB   GLU  72          HB2       GLU  72   7.916 -18.865   3.785
  502   1HG   GLU  72          HG2       GLU  72   8.701 -17.934   0.944
  503   2HG   GLU  72          HG1       GLU  72   8.997 -19.602   1.595
  504    H    ASP  73           HN       ASP  73   8.898 -17.047   5.562
  505    HA   ASP  73           HA       ASP  73  10.035 -14.722   6.241
  506   1HB   ASP  73          HB2       ASP  73  10.972 -17.476   7.208
  507   2HB   ASP  73          HB1       ASP  73  11.217 -15.925   8.101
  508    H    GLU  74           HN       GLU  74  12.129 -17.224   4.786
  509    HA   GLU  74           HA       GLU  74  14.285 -15.205   4.568
  510   1HB   GLU  74          HB2       GLU  74  15.891 -17.024   4.482
  511   2HB   GLU  74          HB1       GLU  74  14.915 -17.070   5.985
  512   1HG   GLU  74          HG2       GLU  74  13.478 -18.900   5.014
  513   2HG   GLU  74          HG1       GLU  74  14.524 -18.916   3.542
  514    H    TYR  75           HN       TYR  75  11.781 -15.923   2.801
  515    HA   TYR  75           HA       TYR  75  13.181 -16.423   0.234
  516   1HB   TYR  75          HB2       TYR  75  10.438 -17.204   1.269
  517   2HB   TYR  75          HB1       TYR  75  10.937 -17.464  -0.452
  518    HD1  TYR  75           HD1      TYR  75  11.516 -18.529   3.088
  519    HD2  TYR  75           HD2      TYR  75  12.427 -19.202  -1.030
  520    HE1  TYR  75           HE1      TYR  75  12.359 -20.789   3.621
  521    HE2  TYR  75           HE2      TYR  75  13.322 -21.408  -0.486
  522    HH   TYR  75           HH       TYR  75  13.743 -22.906   1.123
  523    H    PHE  76           HN       PHE  76  10.602 -14.555   1.886
  524    HA   PHE  76           HA       PHE  76   9.836 -12.983  -0.281
  525   1HB   PHE  76          HB2       PHE  76   9.371 -10.890   1.234
  526   2HB   PHE  76          HB1       PHE  76   8.523 -12.406   1.480
  527    HD1  PHE  76           HD1      PHE  76  11.954 -11.447   2.881
  528    HD2  PHE  76           HD2      PHE  76   7.824 -12.218   3.605
  529    HE1  PHE  76           HE1      PHE  76  12.321 -11.205   5.261
  530    HE2  PHE  76           HE2      PHE  76   8.194 -11.971   5.994
  531    HZ   PHE  76           HZ       PHE  76  10.457 -11.451   6.854
  532    H    SER  77           HN       SER  77  10.295 -11.412  -1.545
  533    HA   SER  77           HA       SER  77  12.966 -10.171  -1.428
  534   1HB   SER  77          HB1       SER  77  13.150 -12.542  -2.400
  535   2HB   SER  77          HB2       SER  77  12.287 -11.929  -3.842
  536    HG   SER  77           HG       SER  77  14.654 -11.863  -3.939
  537    H    ALA  78           HN       ALA  78  13.385  -8.656  -3.290
  538    HA   ALA  78           HA       ALA  78  10.939  -7.183  -3.798
  539   1HB   ALA  78          HB1       ALA  78  12.236  -5.107  -4.197
  540   2HB   ALA  78          HB2       ALA  78  13.763  -6.072  -4.127
  541   3HB   ALA  78          HB3       ALA  78  12.716  -5.849  -2.686
  542    H    GLY  79           HN       GLY  79  10.122  -6.356  -5.558
  543   1HA   GLY  79          HA2       GLY  79  11.052  -7.063  -8.205
  544   2HA   GLY  79          HA1       GLY  79   9.396  -7.792  -7.662
  545    H    VAL  80           HN       VAL  80   9.307  -6.056  -9.804
  546    HA   VAL  80           HA       VAL  80   9.184  -3.319  -8.764
  547    HB   VAL  80           HB       VAL  80   9.495  -4.750 -11.436
  548   1HG1  VAL  80          HG11      VAL  80   9.403  -1.663 -10.924
  549   2HG1  VAL  80          HG12      VAL  80   8.295  -2.595 -12.007
  550   3HG1  VAL  80          HG13      VAL  80  10.030  -2.431 -12.426
  551   1HG2  VAL  80          HG21      VAL  80  11.295  -2.972  -9.715
  552   2HG2  VAL  80          HG22      VAL  80  11.760  -3.667 -11.312
  553   3HG2  VAL  80          HG23      VAL  80  11.425  -4.781  -9.918
  554    H    VAL  81           HN       VAL  81   7.362  -2.298  -8.208
  555    HA   VAL  81           HA       VAL  81   4.848  -3.180  -9.352
  556    HB   VAL  81           HB       VAL  81   5.190  -1.976  -7.097
  557   1HG1  VAL  81          HG21      VAL  81   5.175   0.630  -8.750
  558   2HG1  VAL  81          HG22      VAL  81   6.699  -0.074  -8.171
  559   3HG1  VAL  81          HG23      VAL  81   5.423   0.445  -6.993
  560   1HG2  VAL  81          HG11      VAL  81   3.124  -0.720  -7.138
  561   2HG2  VAL  81          HG12      VAL  81   2.922  -2.191  -8.194
  562   3HG2  VAL  81          HG13      VAL  81   3.198  -0.548  -8.934
  563    H    LYS  82           HN       LYS  82   4.011  -2.656 -11.307
  564    HA   LYS  82           HA       LYS  82   5.305  -0.443 -12.791
  565   1HB   LYS  82          HB1       LYS  82   5.315  -1.879 -14.850
  566   2HB   LYS  82          HB2       LYS  82   6.367  -2.511 -13.546
  567   1HG   LYS  82          HG2       LYS  82   4.801  -4.252 -12.942
  568   2HG   LYS  82          HG1       LYS  82   3.504  -3.618 -14.007
  569   1HD   LYS  82          HD2       LYS  82   6.213  -4.525 -15.109
  570   2HD   LYS  82          HD1       LYS  82   4.841  -5.659 -14.822
  571   1HE   LYS  82          HE2       LYS  82   3.389  -4.314 -16.378
  572   2HE   LYS  82          HE1       LYS  82   4.783  -3.206 -16.713
  573   1HZ   LYS  82          HZ1       LYS  82   6.010  -5.099 -17.542
  574   2HZ   LYS  82          HZ2       LYS  82   4.549  -4.892 -18.384
  575   3HZ   LYS  82          HZ3       LYS  82   4.698  -6.132 -17.233
  576    H    GLY  83           HN       GLY  83   2.276  -2.189 -12.152
  577   1HA   GLY  83          HA2       GLY  83   0.782  -0.016 -13.290
  578   2HA   GLY  83          HA1       GLY  83   0.778  -1.526 -14.296
  579    H    HIS  84           HN       HIS  84  -1.334  -0.005 -12.367
  580    HA   HIS  84           HA       HIS  84  -2.271  -2.496 -11.250
  581   1HB   HIS  84          HB1       HIS  84  -2.543  -1.295  -8.930
  582   2HB   HIS  84          HB2       HIS  84  -0.996  -2.043  -9.396
  583    HD1  HIS  84           HD1      HIS  84   1.073  -0.492  -9.923
  584    HD2  HIS  84           HD2      HIS  84  -2.204   1.418  -8.122
  585    HE1  HIS  84           HE1      HIS  84   1.874   1.633  -8.619
  586    H    ARG  85           HN       ARG  85  -4.344  -2.678 -10.345
  587    HA   ARG  85           HA       ARG  85  -6.210  -0.627 -11.299
  588   1HB   ARG  85          HB2       ARG  85  -6.929  -2.099 -12.946
  589   2HB   ARG  85          HB1       ARG  85  -5.612  -3.234 -12.496
  590   1HG   ARG  85          HG2       ARG  85  -7.097  -4.244 -10.716
  591   2HG   ARG  85          HG1       ARG  85  -8.452  -3.221 -11.303
  592   1HD   ARG  85          HD2       ARG  85  -8.579  -5.551 -12.155
  593   2HD   ARG  85          HD1       ARG  85  -8.640  -4.242 -13.430
  594    HE   ARG  85           HE       ARG  85  -5.903  -5.078 -13.131
  595   1HH1  ARG  85          HH11      ARG  85  -9.014  -6.384 -14.316
  596   2HH1  ARG  85          HH12      ARG  85  -8.278  -7.470 -15.448
  597   1HH2  ARG  85          HH21      ARG  85  -4.937  -6.548 -14.660
  598   2HH2  ARG  85          HH22      ARG  85  -5.936  -7.564 -15.646
  599    H    LYS  86           HN       LYS  86  -8.190  -0.681 -10.135
  600    HA   LYS  86           HA       LYS  86  -8.595  -2.836  -8.219
  601   1HB   LYS  86          HB2       LYS  86  -7.568  -1.163  -6.864
  602   2HB   LYS  86          HB1       LYS  86  -8.493   0.175  -7.621
  603   1HG   LYS  86          HG2       LYS  86 -10.611  -0.619  -6.535
  604   2HG   LYS  86          HG1       LYS  86  -9.731  -2.016  -5.837
  605   1HD   LYS  86          HD2       LYS  86  -8.209  -0.389  -4.613
  606   2HD   LYS  86          HD1       LYS  86  -9.241   0.961  -5.192
  607   1HE   LYS  86          HE2       LYS  86 -10.209  -1.396  -3.428
  608   2HE   LYS  86          HE1       LYS  86  -9.801   0.269  -2.845
  609   1HZ   LYS  86          HZ1       LYS  86 -11.929  -0.426  -4.800
  610   2HZ   LYS  86          HZ2       LYS  86 -11.544   1.133  -4.246
  611   3HZ   LYS  86          HZ3       LYS  86 -12.147  -0.028  -3.163
  612    H    GLU  87           HN       GLU  87 -10.491  -3.686  -8.740
  613    HA   GLU  87           HA       GLU  87 -12.396  -2.143 -10.385
  614   1HB   GLU  87          HB2       GLU  87 -10.883  -3.908 -11.570
  615   2HB   GLU  87          HB1       GLU  87 -11.617  -5.143 -10.542
  616   1HG   GLU  87          HG2       GLU  87 -12.643  -5.120 -12.793
  617   2HG   GLU  87          HG1       GLU  87 -13.877  -4.679 -11.563
  618    H    SER  88           HN       SER  88 -14.666  -2.971 -10.082
  619    HA   SER  88           HA       SER  88 -15.458  -3.137  -7.454
  620   1HB   SER  88          HB2       SER  88 -17.061  -3.828  -9.971
  621   2HB   SER  88          HB1       SER  88 -17.719  -3.277  -8.375
  622    HG   SER  88           HG       SER  88 -17.490  -1.536  -9.852
  623    H    GLY  89           HN       GLY  89 -14.000  -5.046  -6.937
  624   1HA   GLY  89          HA2       GLY  89 -14.538  -6.962  -5.589
  625   2HA   GLY  89          HA1       GLY  89 -15.488  -7.631  -6.961
  626    H    GLU  90           HN       GLU  90 -12.368  -6.063  -7.942
  627    HA   GLU  90           HA       GLU  90 -10.981  -8.573  -7.850
  628   1HB   GLU  90          HB2       GLU  90 -10.718  -6.874 -10.368
  629   2HB   GLU  90          HB1       GLU  90 -10.616  -8.620 -10.072
  630   1HG   GLU  90          HG2       GLU  90 -13.243  -7.024 -10.264
  631   2HG   GLU  90          HG1       GLU  90 -12.397  -7.754 -11.665
  632    H    LEU  91           HN       LEU  91  -8.734  -8.074  -7.314
  633    HA   LEU  91           HA       LEU  91  -8.041  -5.205  -7.284
  634   1HB   LEU  91          HB2       LEU  91  -8.445  -6.777  -4.980
  635   2HB   LEU  91          HB1       LEU  91  -6.697  -7.044  -5.217
  636    HG   LEU  91           HG       LEU  91  -6.927  -5.118  -3.790
  637   1HD1  LEU  91          HD21      LEU  91  -6.082  -3.164  -5.010
  638   2HD1  LEU  91          HD22      LEU  91  -6.682  -3.769  -6.570
  639   3HD1  LEU  91          HD23      LEU  91  -5.348  -4.650  -5.730
  640   1HD2  LEU  91          HD11      LEU  91  -8.492  -3.201  -4.236
  641   2HD2  LEU  91          HD12      LEU  91  -9.375  -4.765  -4.095
  642   3HD2  LEU  91          HD13      LEU  91  -9.082  -4.037  -5.710
  643    H    TYR  92           HN       TYR  92  -6.081  -4.792  -8.599
  644    HA   TYR  92           HA       TYR  92  -4.308  -7.130  -8.524
  645   1HB   TYR  92          HB1       TYR  92  -5.658  -5.667 -10.995
  646   2HB   TYR  92          HB2       TYR  92  -4.217  -6.617 -11.280
  647    HD1  TYR  92           HD1      TYR  92  -4.249  -8.737 -11.828
  648    HD2  TYR  92           HD2      TYR  92  -7.817  -6.878 -10.471
  649    HE1  TYR  92           HE1      TYR  92  -5.486 -10.441 -12.917
  650    HE2  TYR  92           HE2      TYR  92  -9.130  -8.580 -11.599
  651    HH   TYR  92           HH       TYR  92  -7.546 -11.264 -13.357
  652    H    TYR  93           HN       TYR  93  -2.493  -6.533  -7.943
  653    HA   TYR  93           HA       TYR  93  -1.238  -4.155  -9.174
  654   1HB   TYR  93          HB2       TYR  93  -0.954  -5.465  -6.413
  655   2HB   TYR  93          HB1       TYR  93   0.401  -4.495  -7.125
  656    HD1  TYR  93           HD1      TYR  93   0.493  -2.226  -6.528
  657    HD2  TYR  93           HD2      TYR  93  -3.411  -4.088  -6.826
  658    HE1  TYR  93           HE1      TYR  93  -0.624  -0.106  -6.296
  659    HE2  TYR  93           HE2      TYR  93  -4.448  -1.975  -6.530
  660    HH   TYR  93           HH       TYR  93  -2.679   1.024  -6.010
  661    H    SER  94           HN       SER  94  -0.053  -4.680 -10.886
  662    HA   SER  94           HA       SER  94   1.091  -7.330 -11.233
  663   1HB   SER  94          HB2       SER  94   1.643  -6.796 -13.509
  664   2HB   SER  94          HB1       SER  94  -0.077  -6.530 -13.178
  665    HG   SER  94           HG       SER  94   0.702  -4.170 -12.869
  666    H    ILE  95           HN       ILE  95   2.790  -7.761 -10.308
  667    HA   ILE  95           HA       ILE  95   4.916  -5.741  -9.758
  668    HB   ILE  95           HB       ILE  95   4.195  -8.365  -8.358
  669   1HG1  ILE  95          HG12      ILE  95   2.354  -6.918  -7.929
  670   2HG1  ILE  95          HG11      ILE  95   3.397  -6.893  -6.488
  671   1HG2  ILE  95          HG21      ILE  95   5.721  -7.493  -6.551
  672   2HG2  ILE  95          HG22      ILE  95   6.171  -6.090  -7.578
  673   3HG2  ILE  95          HG23      ILE  95   6.619  -7.758  -8.080
  674   1HD1  ILE  95          HD11      ILE  95   2.561  -4.592  -6.976
  675   2HD1  ILE  95          HD12      ILE  95   3.214  -4.644  -8.628
  676   3HD1  ILE  95          HD13      ILE  95   4.338  -4.644  -7.224
  677    H    GLU  96           HN       GLU  96   6.718  -5.914 -10.999
  678    HA   GLU  96           HA       GLU  96   6.908  -8.321 -12.676
  679   1HB   GLU  96          HB2       GLU  96   7.085  -6.071 -13.693
  680   2HB   GLU  96          HB1       GLU  96   8.690  -5.873 -12.914
  681   1HG   GLU  96          HG2       GLU  96   9.507  -7.951 -14.136
  682   2HG   GLU  96          HG1       GLU  96   7.894  -8.095 -14.923
  683    H    LYS  97           HN       LYS  97   7.872 -10.075 -12.169
  684    HA   LYS  97           HA       LYS  97  10.185  -9.884 -10.260
  685   1HB   LYS  97          HB1       LYS  97   7.994 -10.118  -8.992
  686   2HB   LYS  97          HB2       LYS  97   7.522 -11.357 -10.218
  687   1HG   LYS  97          HG2       LYS  97   7.945 -12.459  -8.078
  688   2HG   LYS  97          HG1       LYS  97   9.131 -13.001  -9.252
  689   1HD   LYS  97          HD2       LYS  97  10.748 -11.184  -8.268
  690   2HD   LYS  97          HD1       LYS  97   9.591 -11.103  -6.892
  691   1HE   LYS  97          HE2       LYS  97   9.900 -13.559  -6.482
  692   2HE   LYS  97          HE1       LYS  97  10.938 -13.685  -7.961
  693   1HZ   LYS  97          HZ1       LYS  97  11.538 -12.072  -5.535
  694   2HZ   LYS  97          HZ2       LYS  97  12.504 -12.189  -6.927
  695   3HZ   LYS  97          HZ3       LYS  97  12.236 -13.560  -5.962
  696    H    GLU  98           HN       GLU  98  11.762 -11.357 -10.846
  697    HA   GLU  98           HA       GLU  98  12.864 -13.044 -11.688
  698   1HB   GLU  98          HB1       GLU  98  11.320 -14.352 -10.281
  699   2HB   GLU  98          HB2       GLU  98  10.138 -14.495 -11.655
  700   1HG   GLU  98          HG2       GLU  98  11.433 -16.532 -11.122
  701   2HG   GLU  98          HG1       GLU  98  11.771 -16.002 -12.814
  702    H    GLY  99           HN       GLY  99  10.894 -11.325 -13.411
  703   1HA   GLY  99          HA2       GLY  99  11.778 -10.578 -15.575
  704   2HA   GLY  99          HA1       GLY  99  11.826 -12.300 -16.099
  705    H    GLN 100           HN       GLN 100   9.131 -12.175 -14.268
  706    HA   GLN 100           HA       GLN 100   7.362 -11.179 -16.369
  707   1HB   GLN 100          HB2       GLN 100   5.933 -13.324 -16.078
  708   2HB   GLN 100          HB1       GLN 100   7.521 -13.520 -16.869
  709   1HG   GLN 100          HG2       GLN 100   7.431 -15.381 -15.544
  710   2HG   GLN 100          HG1       GLN 100   8.481 -14.323 -14.570
  711   1HE2  GLN 100          HE21      GLN 100   7.629 -13.584 -12.447
  712   2HE2  GLN 100          HE22      GLN 100   6.186 -14.441 -11.826
  713    H    ARG 101           HN       ARG 101   5.000 -11.040 -15.722
  714    HA   ARG 101           HA       ARG 101   5.096  -9.662 -13.164
  715   1HB   ARG 101          HB1       ARG 101   3.469  -8.201 -13.730
  716   2HB   ARG 101          HB2       ARG 101   4.445  -8.364 -15.214
  717   1HG   ARG 101          HG1       ARG 101   1.696  -9.689 -14.695
  718   2HG   ARG 101          HG2       ARG 101   2.002  -8.200 -15.650
  719   1HD   ARG 101          HD1       ARG 101   3.350  -9.511 -17.314
  720   2HD   ARG 101          HD2       ARG 101   3.030 -11.029 -16.360
  721    HE   ARG 101           HE       ARG 101   0.547  -9.613 -16.968
  722   1HH1  ARG 101          HH11      ARG 101   3.008 -11.737 -18.457
  723   2HH1  ARG 101          HH12      ARG 101   1.917 -12.395 -19.632
  724   1HH2  ARG 101          HH21      ARG 101  -0.896 -10.506 -18.553
  725   2HH2  ARG 101          HH22      ARG 101  -0.328 -11.686 -19.687
  726    H    LYS 102           HN       LYS 102   4.363 -10.101 -11.429
  727    HA   LYS 102           HA       LYS 102   2.448 -12.415 -11.225
  728   1HB   LYS 102          HB1       LYS 102   4.499 -11.265  -9.324
  729   2HB   LYS 102          HB2       LYS 102   3.034 -12.009  -8.608
  730   1HG   LYS 102          HG2       LYS 102   3.527 -14.137  -9.304
  731   2HG   LYS 102          HG1       LYS 102   4.257 -13.622 -10.857
  732   1HD   LYS 102          HD1       LYS 102   6.406 -13.230  -9.911
  733   2HD   LYS 102          HD2       LYS 102   5.756 -13.183  -8.233
  734   1HE   LYS 102          HE1       LYS 102   5.254 -15.648  -8.362
  735   2HE   LYS 102          HE2       LYS 102   5.872 -15.680 -10.065
  736   1HZ   LYS 102          HZ1       LYS 102   8.014 -14.973  -9.242
  737   2HZ   LYS 102          HZ2       LYS 102   7.512 -16.413  -8.494
  738   3HZ   LYS 102          HZ3       LYS 102   7.435 -14.944  -7.645
  739    H    TRP 103           HN       TRP 103   0.382 -11.888 -11.199
  740    HA   TRP 103           HA       TRP 103  -0.349  -9.107 -10.561
  741   1HB   TRP 103          HB2       TRP 103  -1.768 -11.538 -11.893
  742   2HB   TRP 103          HB1       TRP 103  -2.682 -10.082 -11.410
  743    HD1  TRP 103           HD1      TRP 103  -0.680 -11.347 -14.365
  744    HE1  TRP 103           HE1      TRP 103  -1.058  -9.600 -16.229
  745    HE3  TRP 103           HE3      TRP 103  -2.249  -7.497 -11.495
  746    HZ2  TRP 103           HZ2      TRP 103  -2.190  -7.009 -16.423
  747    HZ3  TRP 103           HZ3      TRP 103  -2.897  -5.363 -12.564
  748    HH2  TRP 103           HH2      TRP 103  -2.873  -5.139 -15.001
  749    H    TYR 104           HN       TYR 104  -0.494  -8.917  -8.439
  750    HA   TYR 104           HA       TYR 104  -1.646 -11.076  -6.743
  751   1HB   TYR 104          HB2       TYR 104  -0.050  -8.588  -5.909
  752   2HB   TYR 104          HB1       TYR 104  -0.633  -9.913  -4.864
  753    HD1  TYR 104           HD1      TYR 104   2.222  -8.728  -5.795
  754    HD2  TYR 104           HD2      TYR 104   0.098 -12.402  -6.217
  755    HE1  TYR 104           HE1      TYR 104   4.346  -9.959  -5.779
  756    HE2  TYR 104           HE2      TYR 104   2.202 -13.617  -6.204
  757    HH   TYR 104           HH       TYR 104   4.476 -13.454  -6.237
  758    H    LYS 105           HN       LYS 105  -3.498 -10.432  -5.196
  759    HA   LYS 105           HA       LYS 105  -4.671  -7.874  -5.697
  760   1HB   LYS 105          HB1       LYS 105  -5.165 -10.064  -3.495
  761   2HB   LYS 105          HB2       LYS 105  -6.304  -8.749  -3.949
  762   1HG   LYS 105          HG2       LYS 105  -6.650  -9.900  -6.169
  763   2HG   LYS 105          HG1       LYS 105  -5.483 -11.178  -5.677
  764   1HD   LYS 105          HD1       LYS 105  -6.931 -11.773  -3.719
  765   2HD   LYS 105          HD2       LYS 105  -8.082 -10.478  -4.188
  766   1HE   LYS 105          HE2       LYS 105  -8.938 -12.675  -4.949
  767   2HE   LYS 105          HE1       LYS 105  -8.520 -11.652  -6.384
  768   1HZ   LYS 105          HZ1       LYS 105  -6.439 -12.841  -6.549
  769   2HZ   LYS 105          HZ2       LYS 105  -7.761 -13.905  -6.619
  770   3HZ   LYS 105          HZ3       LYS 105  -6.833 -13.797  -5.202
  771    H    ARG 106           HN       ARG 106  -4.217  -6.246  -4.257
  772    HA   ARG 106           HA       ARG 106  -1.899  -5.521  -3.501
  773   1HB   ARG 106          HB2       ARG 106  -4.330  -4.889  -1.783
  774   2HB   ARG 106          HB1       ARG 106  -2.785  -4.035  -1.528
  775   1HG   ARG 106          HG1       ARG 106  -2.523  -3.180  -3.712
  776   2HG   ARG 106          HG2       ARG 106  -4.053  -3.913  -4.254
  777   1HD   ARG 106          HD2       ARG 106  -3.741  -1.789  -2.006
  778   2HD   ARG 106          HD1       ARG 106  -4.380  -1.502  -3.689
  779    HE   ARG 106           HE       ARG 106  -5.793  -3.690  -2.386
  780   1HH1  ARG 106          HH11      ARG 106  -5.628  -0.112  -2.355
  781   2HH1  ARG 106          HH12      ARG 106  -7.296   0.076  -1.930
  782   1HH2  ARG 106          HH21      ARG 106  -7.990  -3.415  -1.839
  783   2HH2  ARG 106          HH22      ARG 106  -8.661  -1.832  -1.628
  784    H    MET 107           HN       MET 107  -3.377  -7.692  -1.245
  785    HA   MET 107           HA       MET 107  -1.565  -7.343   0.944
  786   1HB   MET 107          HB1       MET 107  -2.619  -9.417   1.876
  787   2HB   MET 107          HB2       MET 107  -3.768  -8.111   1.445
  788   1HG   MET 107          HG2       MET 107  -4.013  -9.374  -0.886
  789   2HG   MET 107          HG1       MET 107  -3.083 -10.700  -0.144
  790   1HE   MET 107          HE1       MET 107  -5.049 -12.349  -0.770
  791   2HE   MET 107          HE2       MET 107  -5.724 -10.880  -1.572
  792   3HE   MET 107          HE3       MET 107  -6.775 -11.917  -0.548
  793    H    ALA 108           HN       ALA 108  -0.933  -9.007  -2.096
  794    HA   ALA 108           HA       ALA 108   1.405 -10.249  -0.788
  795   1HB   ALA 108          HB1       ALA 108   0.030 -11.931  -2.202
  796   2HB   ALA 108          HB2       ALA 108   1.758 -11.770  -2.716
  797   3HB   ALA 108          HB3       ALA 108   0.502 -10.976  -3.649
  798    H    VAL 109           HN       VAL 109   0.979  -7.440  -1.665
  799    HA   VAL 109           HA       VAL 109   3.633  -7.069  -2.631
  800    HB   VAL 109           HB       VAL 109   2.180  -6.690  -4.595
  801   1HG1  VAL 109          HG21      VAL 109   1.097  -4.265  -3.012
  802   2HG1  VAL 109          HG22      VAL 109   0.195  -5.707  -3.617
  803   3HG1  VAL 109          HG23      VAL 109   0.934  -4.553  -4.781
  804   1HG2  VAL 109          HG11      VAL 109   3.344  -4.442  -5.037
  805   2HG2  VAL 109          HG12      VAL 109   4.369  -5.867  -4.586
  806   3HG2  VAL 109          HG13      VAL 109   4.022  -4.545  -3.386
  807    H    ILE 110           HN       ILE 110   4.598  -6.078  -1.198
  808    HA   ILE 110           HA       ILE 110   3.232  -4.105   0.556
  809    HB   ILE 110           HB       ILE 110   4.250  -4.640   2.512
  810   1HG1  ILE 110          HG12      ILE 110   6.249  -5.831   2.141
  811   2HG1  ILE 110          HG11      ILE 110   5.191  -6.797   3.183
  812   1HG2  ILE 110          HG21      ILE 110   1.935  -5.368   2.094
  813   2HG2  ILE 110          HG22      ILE 110   2.774  -6.465   3.254
  814   3HG2  ILE 110          HG23      ILE 110   2.527  -6.986   1.546
  815   1HD1  ILE 110          HD11      ILE 110   5.696  -7.312   0.162
  816   2HD1  ILE 110          HD12      ILE 110   4.596  -8.273   1.213
  817   3HD1  ILE 110          HD13      ILE 110   6.376  -8.248   1.522
  818    H    LEU 111           HN       LEU 111   5.164  -3.048   2.134
  819    HA   LEU 111           HA       LEU 111   7.450  -2.479   0.398
  820   1HB   LEU 111          HB2       LEU 111   6.900   0.090   0.856
  821   2HB   LEU 111          HB1       LEU 111   6.272  -0.785  -0.544
  822    HG   LEU 111           HG       LEU 111   4.085  -0.717   0.061
  823   1HD1  LEU 111          HD11      LEU 111   4.884  -0.387   3.001
  824   2HD1  LEU 111          HD12      LEU 111   3.779  -1.629   2.279
  825   3HD1  LEU 111          HD13      LEU 111   3.285   0.077   2.430
  826   1HD2  LEU 111          HD21      LEU 111   5.056   1.767   1.611
  827   2HD2  LEU 111          HD22      LEU 111   3.849   1.632   0.267
  828   3HD2  LEU 111          HD23      LEU 111   5.651   1.396   0.024
  829    H    SER 112           HN       SER 112   9.174  -1.433   1.281
  830    HA   SER 112           HA       SER 112   9.641  -1.760   4.098
  831   1HB   SER 112          HB2       SER 112  12.005  -1.453   3.473
  832   2HB   SER 112          HB1       SER 112  11.237  -2.617   2.347
  833    HG   SER 112           HG       SER 112  11.651  -1.260   0.685
  834    H    LEU 113           HN       LEU 113  10.995   0.295   5.249
  835    HA   LEU 113           HA       LEU 113   9.414   2.619   4.781
  836   1HB   LEU 113          HB2       LEU 113  12.009   3.091   6.198
  837   2HB   LEU 113          HB1       LEU 113  10.547   4.078   5.992
  838    HG   LEU 113           HG       LEU 113  10.028   1.360   7.192
  839   1HD1  LEU 113          HD21      LEU 113  11.262   1.678   9.319
  840   2HD1  LEU 113          HD22      LEU 113  12.000   3.220   8.666
  841   3HD1  LEU 113          HD23      LEU 113  12.405   1.642   7.907
  842   1HD2  LEU 113          HD11      LEU 113   8.433   3.369   7.541
  843   2HD2  LEU 113          HD12      LEU 113   9.655   4.005   8.705
  844   3HD2  LEU 113          HD13      LEU 113   8.890   2.397   9.005
  845    H    GLU 114           HN       GLU 114  12.640   1.994   3.692
  846    HA   GLU 114           HA       GLU 114  12.655   4.517   2.239
  847   1HB   GLU 114          HB2       GLU 114  14.850   2.720   2.603
  848   2HB   GLU 114          HB1       GLU 114  14.846   3.606   1.034
  849   1HG   GLU 114          HG1       GLU 114  14.333   5.776   2.221
  850   2HG   GLU 114          HG2       GLU 114  14.381   4.881   3.810
  851    H    GLN 115           HN       GLN 115  11.030   1.874   1.289
  852    HA   GLN 115           HA       GLN 115  10.516   2.680  -1.464
  853   1HB   GLN 115          HB2       GLN 115   9.701   0.539   0.470
  854   2HB   GLN 115          HB1       GLN 115   8.253   1.179  -0.436
  855   1HG   GLN 115          HG1       GLN 115   8.912  -0.678  -1.606
  856   2HG   GLN 115          HG2       GLN 115   9.409   0.719  -2.614
  857   1HE2  GLN 115          HE21      GLN 115  11.522   0.659  -3.296
  858   2HE2  GLN 115          HE22      GLN 115  12.599  -0.612  -2.799
  859    H    GLY 116           HN       GLY 116   9.045   2.860   1.731
  860   1HA   GLY 116          HA2       GLY 116   6.708   4.331   1.264
  861   2HA   GLY 116          HA1       GLY 116   7.561   3.947   2.772
  862    H    ASN 117           HN       ASN 117   9.806   5.311   2.861
  863    HA   ASN 117           HA       ASN 117   9.029   8.007   3.453
  864   1HB   ASN 117          HB2       ASN 117  11.658   6.527   3.906
  865   2HB   ASN 117          HB1       ASN 117  11.333   8.230   4.409
  866   1HD2  ASN 117          HD21      ASN 117   8.330   7.110   4.916
  867   2HD2  ASN 117          HD22      ASN 117   8.544   6.578   6.580
  868    H    ARG 118           HN       ARG 118  10.699   6.498   0.794
  869    HA   ARG 118           HA       ARG 118  11.942   8.802  -0.201
  870   1HB   ARG 118          HB2       ARG 118  12.135   7.749  -2.351
  871   2HB   ARG 118          HB1       ARG 118  12.553   6.590  -1.078
  872   1HG   ARG 118          HG2       ARG 118  10.857   5.165  -1.620
  873   2HG   ARG 118          HG1       ARG 118   9.629   6.373  -1.927
  874   1HD   ARG 118          HD2       ARG 118  11.986   5.737  -3.838
  875   2HD   ARG 118          HD1       ARG 118  10.318   4.997  -3.936
  876    HE   ARG 118           HE       ARG 118  10.057   7.866  -3.926
  877   1HH1  ARG 118          HH11      ARG 118  11.267   5.235  -6.024
  878   2HH1  ARG 118          HH12      ARG 118  10.910   6.065  -7.502
  879   1HH2  ARG 118          HH21      ARG 118   9.583   8.965  -5.941
  880   2HH2  ARG 118          HH22      ARG 118   9.945   8.204  -7.454
  881    H    LEU 119           HN       LEU 119   8.788   7.407  -0.349
  882    HA   LEU 119           HA       LEU 119   7.306   9.001  -2.272
  883   1HB   LEU 119          HB2       LEU 119   6.931   6.422  -1.667
  884   2HB   LEU 119          HB1       LEU 119   6.214   6.971  -0.191
  885    HG   LEU 119           HG       LEU 119   5.256   8.198  -2.760
  886   1HD1  LEU 119          HD11      LEU 119   5.435   5.715  -3.081
  887   2HD1  LEU 119          HD12      LEU 119   3.750   6.349  -3.276
  888   3HD1  LEU 119          HD13      LEU 119   4.225   5.471  -1.771
  889   1HD2  LEU 119          HD21      LEU 119   3.893   7.251  -0.150
  890   2HD2  LEU 119          HD22      LEU 119   3.017   7.834  -1.614
  891   3HD2  LEU 119          HD23      LEU 119   4.123   8.955  -0.734
  892    H    ARG 120           HN       ARG 120   7.628   8.734   1.274
  893    HA   ARG 120           HA       ARG 120   5.343   9.742   1.772
  894   1HB   ARG 120          HB1       ARG 120   6.138   9.931   4.181
  895   2HB   ARG 120          HB2       ARG 120   7.294   8.731   3.550
  896   1HG   ARG 120          HG2       ARG 120   8.926  10.763   3.294
  897   2HG   ARG 120          HG1       ARG 120   7.687  11.795   4.068
  898   1HD   ARG 120          HD2       ARG 120   9.053   9.384   5.371
  899   2HD   ARG 120          HD1       ARG 120   9.324  11.118   5.753
  900    HE   ARG 120           HE       ARG 120   6.993   9.400   6.507
  901   1HH1  ARG 120          HH11      ARG 120   8.212  12.758   6.304
  902   2HH1  ARG 120          HH12      ARG 120   7.004  13.393   7.372
  903   1HH2  ARG 120          HH21      ARG 120   5.388  10.279   7.928
  904   2HH2  ARG 120          HH22      ARG 120   5.385  11.970   8.305
  905    H    GLU 121           HN       GLU 121   7.713  11.784   0.785
  906    HA   GLU 121           HA       GLU 121   6.618  14.338   1.629
  907   1HB   GLU 121          HB2       GLU 121   8.783  15.113   0.469
  908   2HB   GLU 121          HB1       GLU 121   8.981  14.040   1.888
  909   1HG   GLU 121          HG1       GLU 121   9.453  12.044   0.421
  910   2HG   GLU 121          HG2       GLU 121   9.152  13.061  -1.037
  911    H    GLN 122           HN       GLN 122   6.709  12.216  -1.242
  912    HA   GLN 122           HA       GLN 122   5.776  14.345  -3.008
  913   1HB   GLN 122          HB2       GLN 122   6.474  12.847  -4.884
  914   2HB   GLN 122          HB1       GLN 122   7.776  13.488  -3.834
  915   1HG   GLN 122          HG1       GLN 122   7.990  11.312  -2.679
  916   2HG   GLN 122          HG2       GLN 122   6.722  10.551  -3.701
  917   1HE2  GLN 122          HE21      GLN 122   9.883  10.403  -3.293
  918   2HE2  GLN 122          HE22      GLN 122  10.500  10.423  -4.953
  919    H    TYR 123           HN       TYR 123   4.719  10.937  -1.929
  920    HA   TYR 123           HA       TYR 123   2.181  11.744  -3.434
  921   1HB   TYR 123          HB1       TYR 123   3.191   8.854  -3.502
  922   2HB   TYR 123          HB2       TYR 123   1.855   9.580  -4.452
  923    HD1  TYR 123           HD1      TYR 123   4.993   8.356  -4.686
  924    HD2  TYR 123           HD2      TYR 123   2.783  11.809  -5.837
  925    HE1  TYR 123           HE1      TYR 123   6.675   8.864  -6.257
  926    HE2  TYR 123           HE2      TYR 123   4.441  12.274  -7.573
  927    HH   TYR 123           HH       TYR 123   7.491  11.026  -7.358
  928    H    GLY 124           HN       GLY 124   2.810  11.033   0.037
  929   1HA   GLY 124          HA2       GLY 124   0.273  10.223   0.278
  930   2HA   GLY 124          HA1       GLY 124   1.173   8.691  -0.062
  931    H    LEU 125           HN       LEU 125   3.321   8.591   1.231
  932    HA   LEU 125           HA       LEU 125   2.578   8.146   3.691
  933   1HB   LEU 125          HB2       LEU 125   5.017   7.576   2.289
  934   2HB   LEU 125          HB1       LEU 125   5.285   7.810   4.060
  935    HG   LEU 125           HG       LEU 125   5.032   5.615   3.788
  936   1HD1  LEU 125          HD11      LEU 125   2.836   4.910   4.830
  937   2HD1  LEU 125          HD12      LEU 125   2.224   6.584   4.751
  938   3HD1  LEU 125          HD13      LEU 125   3.682   6.258   5.668
  939   1HD2  LEU 125          HD21      LEU 125   2.733   5.971   1.788
  940   2HD2  LEU 125          HD22      LEU 125   3.595   4.435   2.245
  941   3HD2  LEU 125          HD23      LEU 125   4.465   5.686   1.371
  942    H    GLY 126           HN       GLY 126   2.486  11.032   3.374
  943   1HA   GLY 126          HA2       GLY 126   2.162  11.370   6.170
  944   2HA   GLY 126          HA1       GLY 126   3.626  12.283   5.663
  945    HA   PRO 127           HA       PRO 127   0.166  14.950   3.912
  946   1HB   PRO 127          HB2       PRO 127  -2.405  14.823   4.787
  947   2HB   PRO 127          HB1       PRO 127  -1.768  13.536   3.696
  948   1HG   PRO 127          HG2       PRO 127  -1.974  13.451   6.759
  949   2HG   PRO 127          HG1       PRO 127  -2.639  12.261   5.605
  950   1HD   PRO 127          HD1       PRO 127  -0.073  11.941   6.759
  951   2HD   PRO 127          HD2       PRO 127  -0.455  11.365   5.074
  952    H    TYR 128           HN       TYR 128   0.208  14.071   7.274
  953    HA   TYR 128           HA       TYR 128   0.256  16.813   8.337
  954   1HB   TYR 128          HB2       TYR 128  -1.763  15.193   8.846
  955   2HB   TYR 128          HB1       TYR 128  -0.626  14.201   9.808
  956    HD1  TYR 128           HD1      TYR 128  -2.174  17.565   9.393
  957    HD2  TYR 128           HD2      TYR 128  -0.133  14.928  12.043
  958    HE1  TYR 128           HE1      TYR 128  -2.779  18.999  11.296
  959    HE2  TYR 128           HE2      TYR 128  -0.761  16.344  13.947
  960    HH   TYR 128           HH       TYR 128  -1.930  18.164  14.636
  961    H    GLU 129           HN       GLU 129   2.419  17.270   8.802
  962    HA   GLU 129           HA       GLU 129   4.085  15.421  10.193
  963   1HB   GLU 129          HB2       GLU 129   5.889  15.279   8.446
  964   2HB   GLU 129          HB1       GLU 129   4.403  14.411   7.976
  965   1HG   GLU 129          HG1       GLU 129   3.718  16.172   6.423
  966   2HG   GLU 129          HG2       GLU 129   5.073  17.246   6.933
  Start of MODEL   10
    1    H    ASN   7           HN       ASN   7 -12.988  14.133   1.323
    2    HA   ASN   7           HA       ASN   7 -14.874  13.670  -0.053
    3   1HB   ASN   7          HB2       ASN   7 -12.945  15.735  -1.305
    4   2HB   ASN   7          HB1       ASN   7 -14.681  15.566  -1.798
    5   1HD2  ASN   7          HD21      ASN   7 -14.351  17.948  -1.062
    6   2HD2  ASN   7          HD22      ASN   7 -14.853  18.235   0.629
    7    H    SER   8           HN       SER   8 -11.757  13.411  -1.847
    8    HA   SER   8           HA       SER   8 -13.038  11.604  -3.807
    9   1HB   SER   8          HB1       SER   8 -11.098  12.024  -5.281
   10   2HB   SER   8          HB2       SER   8 -11.996  13.526  -4.856
   11    HG   SER   8           HG       SER   8  -9.614  13.579  -4.741
   12    H    PHE   9           HN       PHE   9 -12.139  11.043  -0.969
   13    HA   PHE   9           HA       PHE   9 -10.150   8.885  -1.391
   14   1HB   PHE   9          HB2       PHE   9 -11.087  10.383   1.150
   15   2HB   PHE   9          HB1       PHE   9  -9.799   9.133   1.141
   16    HD1  PHE   9           HD1      PHE   9 -10.342  12.568   1.013
   17    HD2  PHE   9           HD2      PHE   9  -8.011   9.518  -0.836
   18    HE1  PHE   9           HE1      PHE   9  -8.857  14.275   0.118
   19    HE2  PHE   9           HE2      PHE   9  -6.524  11.229  -1.764
   20    HZ   PHE   9           HZ       PHE   9  -6.909  13.619  -1.286
   21    H    VAL  10           HN       VAL  10 -13.140   8.993  -1.783
   22    HA   VAL  10           HA       VAL  10 -14.057   6.733  -0.291
   23    HB   VAL  10           HB       VAL  10 -15.374   8.043  -2.684
   24   1HG1  VAL  10          HG11      VAL  10 -16.321   6.513  -0.178
   25   2HG1  VAL  10          HG12      VAL  10 -16.395   5.938  -1.894
   26   3HG1  VAL  10          HG13      VAL  10 -17.425   7.319  -1.368
   27   1HG2  VAL  10          HG21      VAL  10 -15.191   9.005   0.231
   28   2HG2  VAL  10          HG22      VAL  10 -16.455   9.547  -0.943
   29   3HG2  VAL  10          HG23      VAL  10 -14.729   9.901  -1.263
   30    H    GLY  11           HN       GLY  11 -12.953   6.910  -3.916
   31   1HA   GLY  11          HA2       GLY  11 -12.794   3.972  -3.741
   32   2HA   GLY  11          HA1       GLY  11 -13.008   5.057  -5.242
   33    H    LEU  12           HN       LEU  12 -10.799   5.217  -2.378
   34    HA   LEU  12           HA       LEU  12  -8.480   5.218  -4.225
   35   1HB   LEU  12          HB1       LEU  12  -8.619   7.303  -3.269
   36   2HB   LEU  12          HB2       LEU  12  -8.938   6.693  -1.631
   37    HG   LEU  12           HG       LEU  12  -5.940   6.237  -2.208
   38   1HD1  LEU  12          HD21      LEU  12  -7.419   8.898  -2.642
   39   2HD1  LEU  12          HD22      LEU  12  -6.377   8.008  -3.777
   40   3HD1  LEU  12          HD23      LEU  12  -5.673   8.671  -2.294
   41   1HD2  LEU  12          HD11      LEU  12  -7.585   5.746  -0.265
   42   2HD2  LEU  12          HD12      LEU  12  -7.900   7.520  -0.209
   43   3HD2  LEU  12          HD13      LEU  12  -6.317   6.875   0.167
   44    H    ARG  13           HN       ARG  13  -6.514   4.496  -3.173
   45    HA   ARG  13           HA       ARG  13  -6.898   1.722  -2.238
   46   1HB   ARG  13          HB2       ARG  13  -4.713   1.222  -3.436
   47   2HB   ARG  13          HB1       ARG  13  -6.216   1.408  -4.366
   48   1HG   ARG  13          HG2       ARG  13  -5.623   3.742  -4.997
   49   2HG   ARG  13          HG1       ARG  13  -4.095   3.578  -4.070
   50   1HD   ARG  13          HD2       ARG  13  -3.368   1.733  -5.629
   51   2HD   ARG  13          HD1       ARG  13  -4.920   1.924  -6.551
   52    HE   ARG  13           HE       ARG  13  -2.990   4.238  -6.087
   53   1HH1  ARG  13          HH11      ARG  13  -4.812   2.236  -8.429
   54   2HH1  ARG  13          HH12      ARG  13  -4.416   3.249  -9.778
   55   1HH2  ARG  13          HH21      ARG  13  -2.490   5.563  -7.894
   56   2HH2  ARG  13          HH22      ARG  13  -3.086   5.161  -9.471
   57    H    VAL  14           HN       VAL  14  -5.348   1.045  -0.360
   58    HA   VAL  14           HA       VAL  14  -3.764   3.245   0.566
   59    HB   VAL  14           HB       VAL  14  -4.581   3.375   2.842
   60   1HG1  VAL  14          HG21      VAL  14  -5.525   4.890   0.947
   61   2HG1  VAL  14          HG22      VAL  14  -6.524   4.743   2.441
   62   3HG1  VAL  14          HG23      VAL  14  -6.954   3.828   0.947
   63   1HG2  VAL  14          HG11      VAL  14  -6.989   2.672   3.333
   64   2HG2  VAL  14          HG12      VAL  14  -5.797   1.359   3.381
   65   3HG2  VAL  14          HG13      VAL  14  -6.864   1.591   1.924
   66    H    VAL  15           HN       VAL  15  -2.293   2.694   2.434
   67    HA   VAL  15           HA       VAL  15  -1.695  -0.191   2.516
   68    HB   VAL  15           HB       VAL  15   0.785   0.285   2.423
   69   1HG1  VAL  15          HG21      VAL  15  -0.757   0.761  -0.172
   70   2HG1  VAL  15          HG22      VAL  15  -0.736  -0.789   0.731
   71   3HG1  VAL  15          HG23      VAL  15   0.818  -0.110   0.108
   72   1HG2  VAL  15          HG11      VAL  15  -0.194   2.953   1.152
   73   2HG2  VAL  15          HG12      VAL  15   1.495   2.311   1.150
   74   3HG2  VAL  15          HG13      VAL  15   0.700   2.783   2.693
   75    H    ALA  16           HN       ALA  16  -0.776  -0.958   4.372
   76    HA   ALA  16           HA       ALA  16  -1.379   0.851   6.633
   77   1HB   ALA  16          HB1       ALA  16  -2.798  -1.170   6.147
   78   2HB   ALA  16          HB2       ALA  16  -1.996  -1.305   7.745
   79   3HB   ALA  16          HB3       ALA  16  -1.380  -2.222   6.320
   80    H    LYS  17           HN       LYS  17   0.371   1.840   7.496
   81    HA   LYS  17           HA       LYS  17   2.729   0.226   8.314
   82   1HB   LYS  17          HB2       LYS  17   2.536   3.238   8.647
   83   2HB   LYS  17          HB1       LYS  17   3.903   2.150   8.289
   84   1HG   LYS  17          HG1       LYS  17   3.173   2.285   5.759
   85   2HG   LYS  17          HG2       LYS  17   1.727   3.094   6.324
   86   1HD   LYS  17          HD1       LYS  17   2.746   5.057   6.136
   87   2HD   LYS  17          HD2       LYS  17   3.536   4.651   7.670
   88   1HE   LYS  17          HE2       LYS  17   5.507   3.733   6.561
   89   2HE   LYS  17          HE1       LYS  17   4.774   4.099   4.931
   90   1HZ   LYS  17          HZ1       LYS  17   5.467   6.056   7.072
   91   2HZ   LYS  17          HZ2       LYS  17   4.798   6.427   5.555
   92   3HZ   LYS  17          HZ3       LYS  17   6.355   5.756   5.655
   93    H    TRP  18           HN       TRP  18   2.561  -0.287  10.788
   94    HA   TRP  18           HA       TRP  18   0.593   1.440  12.216
   95   1HB   TRP  18          HB2       TRP  18   1.626  -1.246  13.104
   96   2HB   TRP  18          HB1       TRP  18   0.611  -0.129  14.065
   97    HD1  TRP  18           HD1      TRP  18   0.115  -2.904  11.434
   98    HE1  TRP  18           HE1      TRP  18  -2.443  -2.968  10.978
   99    HE3  TRP  18           HE3      TRP  18  -1.121   1.526  13.585
  100    HZ2  TRP  18           HZ2      TRP  18  -4.655  -1.275  11.463
  101    HZ3  TRP  18           HZ3      TRP  18  -3.398   2.133  13.747
  102    HH2  TRP  18           HH2      TRP  18  -5.193   0.827  12.641
  103    H    SER  19           HN       SER  19   3.385   0.056  13.819
  104    HA   SER  19           HA       SER  19   4.416   2.759  14.480
  105   1HB   SER  19          HB1       SER  19   4.706   0.103  16.064
  106   2HB   SER  19          HB2       SER  19   5.429   1.692  16.516
  107    HG   SER  19           HG       SER  19   3.154   2.445  16.522
  108    H    SER  20           HN       SER  20   6.914   2.864  14.061
  109    HA   SER  20           HA       SER  20   7.437   1.745  11.650
  110   1HB   SER  20          HB1       SER  20   9.516   2.730  13.668
  111   2HB   SER  20          HB2       SER  20   9.718   2.627  11.867
  112    HG   SER  20           HG       SER  20   9.053   4.703  12.385
  113    H    ASN  21           HN       ASN  21   7.519  -0.193  11.097
  114    HA   ASN  21           HA       ASN  21   9.000  -2.290  12.509
  115   1HB   ASN  21          HB1       ASN  21   6.468  -2.353  12.496
  116   2HB   ASN  21          HB2       ASN  21   6.441  -2.076  10.737
  117   1HD2  ASN  21          HD21      ASN  21   7.747  -4.552  13.111
  118   2HD2  ASN  21          HD22      ASN  21   7.246  -5.915  12.124
  119    H    GLY  22           HN       GLY  22   8.709  -0.490   9.676
  120   1HA   GLY  22          HA2       GLY  22  10.412  -0.207   8.173
  121   2HA   GLY  22          HA1       GLY  22  10.944  -1.900   8.378
  122    H    TYR  23           HN       TYR  23   7.817  -2.556   8.074
  123    HA   TYR  23           HA       TYR  23   7.429  -1.853   5.336
  124   1HB   TYR  23          HB2       TYR  23   6.735  -4.388   4.814
  125   2HB   TYR  23          HB1       TYR  23   8.328  -3.628   4.499
  126    HD1  TYR  23           HD1      TYR  23   6.601  -5.311   7.370
  127    HD2  TYR  23           HD2      TYR  23  10.133  -4.951   5.045
  128    HE1  TYR  23           HE1      TYR  23   7.602  -7.186   8.614
  129    HE2  TYR  23           HE2      TYR  23  11.133  -6.833   6.251
  130    HH   TYR  23           HH       TYR  23  10.250  -8.924   7.449
  131    H    PHE  24           HN       PHE  24   5.454  -2.189   4.348
  132    HA   PHE  24           HA       PHE  24   3.138  -1.830   6.178
  133   1HB   PHE  24          HB1       PHE  24   2.641  -0.426   3.690
  134   2HB   PHE  24          HB2       PHE  24   2.479   0.078   5.363
  135    HD1  PHE  24           HD1      PHE  24   3.867   1.523   2.585
  136    HD2  PHE  24           HD2      PHE  24   4.894   0.186   6.555
  137    HE1  PHE  24           HE1      PHE  24   5.792   2.787   2.529
  138    HE2  PHE  24           HE2      PHE  24   6.905   1.522   6.467
  139    HZ   PHE  24           HZ       PHE  24   7.244   2.963   4.501
  140    H    TYR  25           HN       TYR  25   1.403  -2.622   5.840
  141    HA   TYR  25           HA       TYR  25   1.073  -4.975   4.165
  142   1HB   TYR  25          HB1       TYR  25  -0.413  -4.065   6.729
  143   2HB   TYR  25          HB2       TYR  25  -0.460  -5.711   5.982
  144    HD1  TYR  25           HD1      TYR  25   1.308  -3.492   8.247
  145    HD2  TYR  25           HD2      TYR  25   1.778  -6.983   5.841
  146    HE1  TYR  25           HE1      TYR  25   3.376  -4.045   9.453
  147    HE2  TYR  25           HE2      TYR  25   3.815  -7.543   7.086
  148    HH   TYR  25           HH       TYR  25   5.340  -5.382   9.405
  149    H    SER  26           HN       SER  26  -1.623  -5.286   3.999
  150    HA   SER  26           HA       SER  26  -2.256  -3.320   2.035
  151   1HB   SER  26          HB1       SER  26  -2.759  -5.899   1.861
  152   2HB   SER  26          HB2       SER  26  -3.631  -5.777   3.431
  153    HG   SER  26           HG       SER  26  -4.909  -6.040   1.361
  154    H    GLY  27           HN       GLY  27  -3.866  -1.902   1.585
  155   1HA   GLY  27          HA2       GLY  27  -6.087  -1.805   3.439
  156   2HA   GLY  27          HA1       GLY  27  -5.148  -0.361   3.058
  157    H    LYS  28           HN       LYS  28  -7.959  -0.765   2.671
  158    HA   LYS  28           HA       LYS  28  -8.079   0.273   0.032
  159   1HB   LYS  28          HB2       LYS  28 -10.204  -0.833  -0.625
  160   2HB   LYS  28          HB1       LYS  28  -8.825  -1.969  -0.511
  161   1HG   LYS  28          HG2       LYS  28  -9.596  -2.799   1.662
  162   2HG   LYS  28          HG1       LYS  28 -10.933  -1.623   1.723
  163   1HD   LYS  28          HD1       LYS  28 -11.944  -2.602  -0.332
  164   2HD   LYS  28          HD2       LYS  28 -10.618  -3.820  -0.415
  165   1HE   LYS  28          HE2       LYS  28 -11.334  -4.680   1.881
  166   2HE   LYS  28          HE1       LYS  28 -12.731  -3.527   1.819
  167   1HZ   LYS  28          HZ1       LYS  28 -12.162  -5.716  -0.110
  168   2HZ   LYS  28          HZ2       LYS  28 -13.466  -4.632  -0.185
  169   3HZ   LYS  28          HZ3       LYS  28 -13.341  -5.720   1.113
  170    H    ILE  29           HN       ILE  29  -9.808   2.171  -0.043
  171    HA   ILE  29           HA       ILE  29 -10.280   2.914   2.767
  172    HB   ILE  29           HB       ILE  29  -8.982   4.149   1.051
  173   1HG1  ILE  29          HG12      ILE  29 -11.132   5.796   2.481
  174   2HG1  ILE  29          HG11      ILE  29  -9.876   4.888   3.378
  175   1HG2  ILE  29          HG21      ILE  29 -10.814   3.871  -0.757
  176   2HG2  ILE  29          HG22      ILE  29 -10.189   5.552  -0.504
  177   3HG2  ILE  29          HG23      ILE  29 -11.782   5.062   0.151
  178   1HD1  ILE  29          HD11      ILE  29  -9.160   7.224   3.043
  179   2HD1  ILE  29          HD12      ILE  29  -9.343   7.047   1.271
  180   3HD1  ILE  29          HD13      ILE  29  -8.066   6.121   2.133
  181    H    THR  30           HN       THR  30 -12.164   3.919   3.590
  182    HA   THR  30           HA       THR  30 -14.696   3.142   2.217
  183    HB   THR  30           HB       THR  30 -14.307   3.536   5.209
  184    HG1  THR  30           HG1      THR  30 -13.365   1.669   3.960
  185   1HG2  THR  30          HG21      THR  30 -16.614   2.335   3.527
  186   2HG2  THR  30          HG22      THR  30 -16.694   3.942   4.340
  187   3HG2  THR  30          HG23      THR  30 -16.563   2.436   5.321
  188    H    ARG  31           HN       ARG  31 -13.061   5.777   4.315
  189    HA   ARG  31           HA       ARG  31 -14.387   7.796   2.717
  190   1HB   ARG  31          HB1       ARG  31 -14.775   7.609   5.831
  191   2HB   ARG  31          HB2       ARG  31 -15.333   8.959   4.780
  192   1HG   ARG  31          HG2       ARG  31 -17.142   7.493   3.898
  193   2HG   ARG  31          HG1       ARG  31 -16.448   6.100   4.801
  194   1HD   ARG  31          HD2       ARG  31 -18.291   6.968   6.141
  195   2HD   ARG  31          HD1       ARG  31 -16.715   7.371   6.976
  196    HE   ARG  31           HE       ARG  31 -17.567   9.525   5.183
  197   1HH1  ARG  31          HH11      ARG  31 -18.239   8.098   8.393
  198   2HH1  ARG  31          HH12      ARG  31 -18.836   9.576   9.071
  199   1HH2  ARG  31          HH21      ARG  31 -18.373  11.497   6.116
  200   2HH2  ARG  31          HH22      ARG  31 -18.913  11.530   7.763
  201    H    ASP  32           HN       ASP  32 -13.367   9.998   3.868
  202    HA   ASP  32           HA       ASP  32 -10.670   9.393   4.909
  203   1HB   ASP  32          HB2       ASP  32 -10.153  11.778   4.673
  204   2HB   ASP  32          HB1       ASP  32 -10.612  11.008   3.126
  205    H    VAL  33           HN       VAL  33  -9.950  10.604   6.965
  206    HA   VAL  33           HA       VAL  33 -12.239  11.395   8.678
  207    HB   VAL  33           HB       VAL  33 -10.433  10.670  10.597
  208   1HG1  VAL  33          HG21      VAL  33 -12.936  10.569  10.561
  209   2HG1  VAL  33          HG22      VAL  33 -12.205   9.052  11.187
  210   3HG1  VAL  33          HG23      VAL  33 -12.865   9.104   9.508
  211   1HG2  VAL  33          HG11      VAL  33  -9.198   9.114   8.833
  212   2HG2  VAL  33          HG12      VAL  33 -10.620   8.068   8.944
  213   3HG2  VAL  33          HG13      VAL  33  -9.550   8.384  10.317
  214    H    GLY  34           HN       GLY  34 -12.113  13.405   9.129
  215   1HA   GLY  34          HA2       GLY  34 -11.563  15.535   8.572
  216   2HA   GLY  34          HA1       GLY  34 -10.521  15.200   9.988
  217    H    ALA  35           HN       ALA  35  -8.552  15.990   9.854
  218    HA   ALA  35           HA       ALA  35  -7.064  16.307   7.308
  219   1HB   ALA  35          HB1       ALA  35  -6.824  17.782  10.042
  220   2HB   ALA  35          HB2       ALA  35  -7.548  18.518   8.567
  221   3HB   ALA  35          HB3       ALA  35  -5.798  18.099   8.587
  222    H    GLY  36           HN       GLY  36  -5.580  15.019   6.896
  223   1HA   GLY  36          HA2       GLY  36  -3.682  13.921   7.178
  224   2HA   GLY  36          HA1       GLY  36  -3.791  14.064   8.963
  225    H    LYS  37           HN       LYS  37  -6.778  12.819   8.263
  226    HA   LYS  37           HA       LYS  37  -5.736  10.070   8.433
  227   1HB   LYS  37          HB2       LYS  37  -7.917   9.897  10.003
  228   2HB   LYS  37          HB1       LYS  37  -6.280  10.103  10.572
  229   1HG   LYS  37          HG2       LYS  37  -6.580  12.467  11.021
  230   2HG   LYS  37          HG1       LYS  37  -8.219  12.421  10.335
  231   1HD   LYS  37          HD1       LYS  37  -8.748  10.470  11.977
  232   2HD   LYS  37          HD2       LYS  37  -7.199  10.870  12.775
  233   1HE   LYS  37          HE2       LYS  37  -9.068  11.935  13.961
  234   2HE   LYS  37          HE1       LYS  37  -8.060  13.251  13.174
  235   1HZ   LYS  37          HZ1       LYS  37 -10.404  13.614  12.904
  236   2HZ   LYS  37          HZ2       LYS  37 -10.607  12.109  12.142
  237   3HZ   LYS  37          HZ3       LYS  37  -9.673  13.318  11.400
  238    H    TYR  38           HN       TYR  38  -7.077   8.296   8.129
  239    HA   TYR  38           HA       TYR  38  -8.902   8.505   5.834
  240   1HB   TYR  38          HB1       TYR  38  -6.417   6.715   6.155
  241   2HB   TYR  38          HB2       TYR  38  -7.575   6.570   4.784
  242    HD1  TYR  38           HD1      TYR  38  -4.542   7.854   5.733
  243    HD2  TYR  38           HD2      TYR  38  -8.022   9.206   3.744
  244    HE1  TYR  38           HE1      TYR  38  -3.158   9.529   4.545
  245    HE2  TYR  38           HE2      TYR  38  -6.777  11.161   2.955
  246    HH   TYR  38           HH       TYR  38  -3.320  11.503   3.189
  247    H    LYS  39           HN       LYS  39 -10.696   6.821   5.925
  248    HA   LYS  39           HA       LYS  39 -10.825   5.072   8.336
  249   1HB   LYS  39          HB1       LYS  39 -12.562   6.757   8.661
  250   2HB   LYS  39          HB2       LYS  39 -12.744   7.026   6.910
  251   1HG   LYS  39          HG1       LYS  39 -14.748   5.953   7.747
  252   2HG   LYS  39          HG2       LYS  39 -13.883   4.841   6.638
  253   1HD   LYS  39          HD2       LYS  39 -12.942   3.624   8.697
  254   2HD   LYS  39          HD1       LYS  39 -14.007   4.652   9.712
  255   1HE   LYS  39          HE2       LYS  39 -14.955   2.862   7.375
  256   2HE   LYS  39          HE1       LYS  39 -14.987   2.367   9.120
  257   1HZ   LYS  39          HZ1       LYS  39 -16.465   4.214   9.554
  258   2HZ   LYS  39          HZ2       LYS  39 -17.106   3.181   8.368
  259   3HZ   LYS  39          HZ3       LYS  39 -16.432   4.674   7.919
  260    H    LEU  40           HN       LEU  40 -10.364   3.312   7.900
  261    HA   LEU  40           HA       LEU  40 -10.709   2.471   5.046
  262   1HB   LEU  40          HB1       LEU  40  -8.342   2.019   4.901
  263   2HB   LEU  40          HB2       LEU  40  -8.529   3.659   5.578
  264    HG   LEU  40           HG       LEU  40  -6.952   2.977   7.016
  265   1HD1  LEU  40          HD11      LEU  40  -9.128   1.648   8.559
  266   2HD1  LEU  40          HD12      LEU  40  -8.628   3.427   8.581
  267   3HD1  LEU  40          HD13      LEU  40  -7.509   2.123   9.153
  268   1HD2  LEU  40          HD21      LEU  40  -8.009   0.040   7.109
  269   2HD2  LEU  40          HD22      LEU  40  -6.363   0.615   7.505
  270   3HD2  LEU  40          HD23      LEU  40  -6.941   0.563   5.775
  271    H    LEU  41           HN       LEU  41 -10.275   0.271   4.473
  272    HA   LEU  41           HA       LEU  41 -10.399  -1.571   6.762
  273   1HB   LEU  41          HB2       LEU  41 -12.461  -0.868   6.133
  274   2HB   LEU  41          HB1       LEU  41 -12.367  -1.481   4.432
  275    HG   LEU  41           HG       LEU  41 -11.979  -3.364   6.859
  276   1HD1  LEU  41          HD11      LEU  41 -14.416  -3.976   6.739
  277   2HD1  LEU  41          HD12      LEU  41 -14.699  -2.702   5.493
  278   3HD1  LEU  41          HD13      LEU  41 -14.240  -2.247   7.168
  279   1HD2  LEU  41          HD21      LEU  41 -13.049  -3.672   3.937
  280   2HD2  LEU  41          HD22      LEU  41 -13.033  -5.009   5.119
  281   3HD2  LEU  41          HD23      LEU  41 -11.479  -4.283   4.547
  282    H    PHE  42           HN       PHE  42  -9.163  -3.566   6.388
  283    HA   PHE  42           HA       PHE  42  -7.173  -3.118   4.257
  284   1HB   PHE  42          HB2       PHE  42  -7.524  -5.503   6.190
  285   2HB   PHE  42          HB1       PHE  42  -6.180  -5.342   4.988
  286    HD1  PHE  42           HD1      PHE  42  -6.907  -2.093   6.677
  287    HD2  PHE  42           HD2      PHE  42  -4.949  -5.883   7.023
  288    HE1  PHE  42           HE1      PHE  42  -5.413  -1.174   8.328
  289    HE2  PHE  42           HE2      PHE  42  -3.414  -4.911   8.668
  290    HZ   PHE  42           HZ       PHE  42  -3.649  -2.539   9.321
  291    H    ASP  43           HN       ASP  43  -6.803  -4.811   2.346
  292    HA   ASP  43           HA       ASP  43  -9.290  -5.617   1.211
  293   1HB   ASP  43          HB2       ASP  43  -6.452  -6.449   0.400
  294   2HB   ASP  43          HB1       ASP  43  -7.925  -6.864  -0.537
  295    H    ASP  44           HN       ASP  44  -7.719  -6.975   3.658
  296    HA   ASP  44           HA       ASP  44  -8.843  -9.671   3.429
  297   1HB   ASP  44          HB1       ASP  44  -7.071 -10.420   4.933
  298   2HB   ASP  44          HB2       ASP  44  -6.417  -9.517   3.521
  299    H    GLY  45           HN       GLY  45  -9.819  -6.618   4.828
  300   1HA   GLY  45          HA2       GLY  45 -11.734  -6.404   5.763
  301   2HA   GLY  45          HA1       GLY  45 -11.746  -8.103   6.451
  302    H    TYR  46           HN       TYR  46  -9.026  -6.101   7.292
  303    HA   TYR  46           HA       TYR  46 -10.142  -5.757  10.007
  304   1HB   TYR  46          HB1       TYR  46  -7.980  -7.039   9.678
  305   2HB   TYR  46          HB2       TYR  46  -7.226  -5.540   9.040
  306    HD1  TYR  46           HD1      TYR  46  -8.604  -7.220  12.035
  307    HD2  TYR  46           HD2      TYR  46  -6.660  -3.730  10.542
  308    HE1  TYR  46           HE1      TYR  46  -8.071  -6.531  14.337
  309    HE2  TYR  46           HE2      TYR  46  -6.133  -3.037  12.837
  310    HH   TYR  46           HH       TYR  46  -6.415  -3.463  15.012
  311    H    GLU  47           HN       GLU  47 -11.249  -3.826  10.201
  312    HA   GLU  47           HA       GLU  47 -10.205  -1.417   8.878
  313   1HB   GLU  47          HB1       GLU  47 -12.311  -1.668   8.103
  314   2HB   GLU  47          HB2       GLU  47 -12.967  -2.417   9.547
  315   1HG   GLU  47          HG1       GLU  47 -13.171  -0.090  10.570
  316   2HG   GLU  47          HG2       GLU  47 -12.297   0.620   9.142
  317    H    CYS  48           HN       CYS  48 -10.464   0.695   9.768
  318    HA   CYS  48           HA       CYS  48 -10.706   0.988  12.599
  319   1HB   CYS  48          HB2       CYS  48  -8.275  -0.033  12.295
  320   2HB   CYS  48          HB1       CYS  48  -7.840   1.495  11.506
  321    HG   CYS  48           HG       CYS  48  -8.958   0.854  14.583
  322    H    ASP  49           HN       ASP  49  -9.866   3.511  12.943
  323    HA   ASP  49           HA       ASP  49 -10.047   4.916  10.341
  324   1HB   ASP  49          HB1       ASP  49 -10.793   6.145  13.189
  325   2HB   ASP  49          HB2       ASP  49 -10.569   7.039  11.666
  326    H    VAL  50           HN       VAL  50  -7.955   6.043  10.125
  327    HA   VAL  50           HA       VAL  50  -6.452   6.385  12.549
  328    HB   VAL  50           HB       VAL  50  -4.375   5.216  11.244
  329   1HG1  VAL  50          HG21      VAL  50  -5.559   4.388  13.335
  330   2HG1  VAL  50          HG22      VAL  50  -4.756   3.160  12.281
  331   3HG1  VAL  50          HG23      VAL  50  -6.554   3.342  12.252
  332   1HG2  VAL  50          HG11      VAL  50  -6.832   3.970   9.833
  333   2HG2  VAL  50          HG12      VAL  50  -5.113   3.505   9.618
  334   3HG2  VAL  50          HG13      VAL  50  -5.729   5.128   9.042
  335    H    LEU  51           HN       LEU  51  -4.313   7.309  12.130
  336    HA   LEU  51           HA       LEU  51  -4.571   9.465  10.253
  337   1HB   LEU  51          HB2       LEU  51  -3.893   9.428  12.844
  338   2HB   LEU  51          HB1       LEU  51  -2.260   8.935  12.288
  339    HG   LEU  51           HG       LEU  51  -2.355  11.251  12.964
  340   1HD1  LEU  51          HD21      LEU  51  -2.213  11.312   9.881
  341   2HD1  LEU  51          HD22      LEU  51  -0.879  10.980  11.053
  342   3HD1  LEU  51          HD23      LEU  51  -1.687  12.580  11.027
  343   1HD2  LEU  51          HD11      LEU  51  -3.862  12.956  12.059
  344   2HD2  LEU  51          HD12      LEU  51  -4.816  11.577  12.719
  345   3HD2  LEU  51          HD13      LEU  51  -4.598  11.753  10.941
  346    H    GLY  52           HN       GLY  52  -3.195  10.126   8.621
  347   1HA   GLY  52          HA2       GLY  52  -3.141   7.761   7.203
  348   2HA   GLY  52          HA1       GLY  52  -2.666   9.283   6.499
  349    H    LYS  53           HN       LYS  53  -0.566   8.992   9.085
  350    HA   LYS  53           HA       LYS  53   1.588   8.271   7.198
  351   1HB   LYS  53          HB1       LYS  53   3.117   8.678   9.321
  352   2HB   LYS  53          HB2       LYS  53   2.469  10.044   8.391
  353   1HG   LYS  53          HG1       LYS  53   2.414  10.553  10.743
  354   2HG   LYS  53          HG2       LYS  53   0.793  10.569  10.019
  355   1HD   LYS  53          HD2       LYS  53   0.731   9.652  12.309
  356   2HD   LYS  53          HD1       LYS  53   0.239   8.397  11.124
  357   1HE   LYS  53          HE2       LYS  53   1.633   7.411  12.902
  358   2HE   LYS  53          HE1       LYS  53   2.522   7.315  11.345
  359   1HZ   LYS  53          HZ1       LYS  53   3.925   8.046  13.126
  360   2HZ   LYS  53          HZ2       LYS  53   2.915   9.372  13.457
  361   3HZ   LYS  53          HZ3       LYS  53   3.753   9.290  11.982
  362    H    ASP  54           HN       ASP  54  -0.716   6.759   8.804
  363    HA   ASP  54           HA       ASP  54   0.741   4.321   9.382
  364   1HB   ASP  54          HB1       ASP  54  -2.084   5.037  10.415
  365   2HB   ASP  54          HB2       ASP  54  -1.120   3.576  10.802
  366    H    ILE  55           HN       ILE  55  -2.761   4.862   8.552
  367    HA   ILE  55           HA       ILE  55  -2.265   3.200   6.148
  368    HB   ILE  55           HB       ILE  55  -4.866   3.153   7.615
  369   1HG1  ILE  55          HG11      ILE  55  -4.526   1.192   8.633
  370   2HG1  ILE  55          HG12      ILE  55  -3.365   0.609   7.441
  371   1HG2  ILE  55          HG21      ILE  55  -5.241   2.656   5.314
  372   2HG2  ILE  55          HG22      ILE  55  -4.860   1.015   5.959
  373   3HG2  ILE  55          HG23      ILE  55  -3.611   1.916   5.097
  374   1HD1  ILE  55          HD11      ILE  55  -2.655   2.409   9.844
  375   2HD1  ILE  55          HD12      ILE  55  -1.458   1.663   8.701
  376   3HD1  ILE  55          HD13      ILE  55  -2.445   0.632   9.746
  377    H    LEU  56           HN       LEU  56  -2.128   4.347   4.424
  378    HA   LEU  56           HA       LEU  56  -4.047   6.485   3.840
  379   1HB   LEU  56          HB2       LEU  56  -2.386   8.040   3.089
  380   2HB   LEU  56          HB1       LEU  56  -2.053   7.456   4.712
  381    HG   LEU  56           HG       LEU  56  -0.158   7.853   3.341
  382   1HD1  LEU  56          HD11      LEU  56   1.145   6.541   4.234
  383   2HD1  LEU  56          HD12      LEU  56   0.190   4.985   3.973
  384   3HD1  LEU  56          HD13      LEU  56  -0.270   6.132   5.285
  385   1HD2  LEU  56          HD21      LEU  56  -0.649   6.902   1.046
  386   2HD2  LEU  56          HD22      LEU  56  -0.426   5.238   1.686
  387   3HD2  LEU  56          HD23      LEU  56   0.916   6.354   1.616
  388    H    LEU  57           HN       LEU  57  -4.236   7.493   1.743
  389    HA   LEU  57           HA       LEU  57  -4.598   6.213  -0.497
  390   1HB   LEU  57          HB2       LEU  57  -3.945   8.772  -1.274
  391   2HB   LEU  57          HB1       LEU  57  -5.342   8.493  -0.225
  392    HG   LEU  57           HG       LEU  57  -4.285   9.270   1.739
  393   1HD1  LEU  57          HD21      LEU  57  -1.807   8.677   1.268
  394   2HD1  LEU  57          HD22      LEU  57  -2.058  10.353   1.804
  395   3HD1  LEU  57          HD23      LEU  57  -1.885   9.977   0.031
  396   1HD2  LEU  57          HD11      LEU  57  -3.887  11.675   0.883
  397   2HD2  LEU  57          HD12      LEU  57  -5.418  10.884   0.391
  398   3HD2  LEU  57          HD13      LEU  57  -4.049  11.017  -0.782
  399    H    CYS  58           HN       CYS  58  -3.263   4.849  -1.450
  400    HA   CYS  58           HA       CYS  58  -0.503   5.445  -1.754
  401   1HB   CYS  58          HB1       CYS  58  -0.403   3.107  -1.207
  402   2HB   CYS  58          HB2       CYS  58  -1.830   3.602  -0.392
  403    HG   CYS  58           HG       CYS  58  -2.103   1.222  -1.290
  404    H    ASP  59           HN       ASP  59   0.251   4.448  -3.380
  405    HA   ASP  59           HA       ASP  59  -0.885   4.530  -6.141
  406   1HB   ASP  59          HB2       ASP  59   2.055   5.038  -5.426
  407   2HB   ASP  59          HB1       ASP  59   1.693   4.194  -6.927
  408    HA   PRO  60           HA       PRO  60   0.584   2.800  -2.835
  409   1HB   PRO  60          HB2       PRO  60   2.257   0.350  -2.556
  410   2HB   PRO  60          HB1       PRO  60   0.823   0.919  -1.669
  411   1HG   PRO  60          HG2       PRO  60   0.676  -1.197  -3.447
  412   2HG   PRO  60          HG1       PRO  60  -0.710  -0.081  -3.147
  413   1HD   PRO  60          HD1       PRO  60   1.317   0.036  -5.435
  414   2HD   PRO  60          HD2       PRO  60  -0.504   0.101  -5.475
  415    H    ILE  61           HN       ILE  61   3.351   1.207  -4.345
  416    HA   ILE  61           HA       ILE  61   4.884   3.604  -3.792
  417    HB   ILE  61           HB       ILE  61   5.136   0.839  -3.026
  418   1HG1  ILE  61          HG12      ILE  61   6.519   1.589  -1.351
  419   2HG1  ILE  61          HG11      ILE  61   7.293   2.831  -2.408
  420   1HG2  ILE  61          HG21      ILE  61   7.591   2.043  -4.383
  421   2HG2  ILE  61          HG22      ILE  61   6.703   0.594  -5.016
  422   3HG2  ILE  61          HG23      ILE  61   7.557   0.549  -3.406
  423   1HD1  ILE  61          HD11      ILE  61   4.478   3.415  -1.563
  424   2HD1  ILE  61          HD12      ILE  61   5.969   4.445  -1.917
  425   3HD1  ILE  61          HD13      ILE  61   5.784   3.506  -0.365
  426    HA   PRO  62           HA       PRO  62   5.463   4.790  -7.666
  427   1HB   PRO  62          HB2       PRO  62   8.535   4.682  -7.216
  428   2HB   PRO  62          HB1       PRO  62   7.531   6.080  -7.808
  429   1HG   PRO  62          HG1       PRO  62   8.174   5.996  -5.038
  430   2HG   PRO  62          HG2       PRO  62   6.440   6.175  -5.555
  431   1HD   PRO  62          HD1       PRO  62   7.965   3.758  -4.953
  432   2HD   PRO  62          HD2       PRO  62   6.593   4.449  -4.053
  433    H    LEU  63           HN       LEU  63   5.409   4.133  -9.804
  434    HA   LEU  63           HA       LEU  63   5.567   1.621 -10.740
  435   1HB   LEU  63          HB1       LEU  63   5.581   4.356 -12.175
  436   2HB   LEU  63          HB2       LEU  63   5.008   2.816 -12.907
  437    HG   LEU  63           HG       LEU  63   3.165   2.679 -11.207
  438   1HD1  LEU  63          HD21      LEU  63   2.333   4.947 -10.309
  439   2HD1  LEU  63          HD22      LEU  63   4.004   5.569 -10.434
  440   3HD1  LEU  63          HD23      LEU  63   3.572   4.212  -9.296
  441   1HD2  LEU  63          HD11      LEU  63   3.618   5.084 -13.031
  442   2HD2  LEU  63          HD12      LEU  63   1.961   4.448 -12.570
  443   3HD2  LEU  63          HD13      LEU  63   3.120   3.417 -13.524
  444    H    ASP  64           HN       ASP  64   7.975   2.630 -10.091
  445    HA   ASP  64           HA       ASP  64   9.974   1.651 -12.136
  446   1HB   ASP  64          HB2       ASP  64   9.744   3.825  -9.958
  447   2HB   ASP  64          HB1       ASP  64  11.382   3.520 -10.678
  448    H    THR  65           HN       THR  65   8.538   0.436  -9.279
  449    HA   THR  65           HA       THR  65  10.991   0.483  -7.743
  450    HB   THR  65           HB       THR  65   8.280   0.737  -6.535
  451    HG1  THR  65           HG1      THR  65   8.780   2.555  -7.463
  452   1HG2  THR  65          HG21      THR  65   9.764   1.411  -4.536
  453   2HG2  THR  65          HG22      THR  65  11.192   0.829  -5.467
  454   3HG2  THR  65          HG23      THR  65   9.886  -0.330  -4.981
  455    H    GLU  66           HN       GLU  66  11.852  -1.041  -7.436
  456    HA   GLU  66           HA       GLU  66  10.786  -3.695  -7.181
  457   1HB   GLU  66          HB2       GLU  66  12.891  -4.517  -6.425
  458   2HB   GLU  66          HB1       GLU  66  13.078  -3.412  -7.811
  459   1HG   GLU  66          HG2       GLU  66  13.775  -1.559  -6.250
  460   2HG   GLU  66          HG1       GLU  66  13.676  -2.694  -4.859
  461    H    VAL  67           HN       VAL  67   9.124  -3.833  -6.033
  462    HA   VAL  67           HA       VAL  67   8.845  -3.295  -3.122
  463    HB   VAL  67           HB       VAL  67   6.420  -4.351  -3.861
  464   1HG1  VAL  67          HG11      VAL  67   5.605  -2.034  -3.660
  465   2HG1  VAL  67          HG12      VAL  67   7.342  -1.468  -3.726
  466   3HG1  VAL  67          HG13      VAL  67   6.773  -2.586  -2.414
  467   1HG2  VAL  67          HG21      VAL  67   7.115  -2.563  -6.212
  468   2HG2  VAL  67          HG22      VAL  67   5.642  -3.543  -5.895
  469   3HG2  VAL  67          HG23      VAL  67   7.182  -4.380  -6.312
  470    H    THR  68           HN       THR  68   7.450  -5.066  -2.006
  471    HA   THR  68           HA       THR  68   9.250  -7.460  -2.580
  472    HB   THR  68           HB       THR  68   9.980  -6.559  -0.620
  473    HG1  THR  68           HG1      THR  68   9.252  -7.964   0.979
  474   1HG2  THR  68          HG21      THR  68   7.009  -6.170  -0.262
  475   2HG2  THR  68          HG22      THR  68   8.218  -4.884  -0.318
  476   3HG2  THR  68          HG23      THR  68   8.124  -5.939   1.162
  477    H    ALA  69           HN       ALA  69   8.446  -9.488  -2.865
  478    HA   ALA  69           HA       ALA  69   5.493  -9.619  -3.224
  479   1HB   ALA  69          HB1       ALA  69   7.937 -10.982  -4.399
  480   2HB   ALA  69          HB2       ALA  69   6.875  -9.787  -5.184
  481   3HB   ALA  69          HB3       ALA  69   6.235 -11.452  -4.850
  482    H    LEU  70           HN       LEU  70   4.317 -11.111  -2.116
  483    HA   LEU  70           HA       LEU  70   5.420 -11.932   0.316
  484   1HB   LEU  70          HB2       LEU  70   3.023 -11.336  -0.405
  485   2HB   LEU  70          HB1       LEU  70   2.858 -13.110  -0.552
  486    HG   LEU  70           HG       LEU  70   2.038 -12.190   1.576
  487   1HD1  LEU  70          HD21      LEU  70   3.009 -13.567   3.267
  488   2HD1  LEU  70          HD22      LEU  70   4.568 -13.678   2.408
  489   3HD1  LEU  70          HD23      LEU  70   3.105 -14.491   1.718
  490   1HD2  LEU  70          HD11      LEU  70   3.401 -11.037   3.246
  491   2HD2  LEU  70          HD12      LEU  70   3.505 -10.163   1.677
  492   3HD2  LEU  70          HD13      LEU  70   4.875 -11.208   2.234
  493    H    SER  71           HN       SER  71   6.603 -13.216   0.878
  494    HA   SER  71           HA       SER  71   6.456 -16.035   0.849
  495   1HB   SER  71          HB1       SER  71   8.242 -15.606  -0.925
  496   2HB   SER  71          HB2       SER  71   9.190 -14.705   0.302
  497    HG   SER  71           HG       SER  71   9.870 -16.845   0.293
  498    H    GLU  72           HN       GLU  72   7.893 -16.524   2.963
  499    HA   GLU  72           HA       GLU  72   7.042 -15.313   5.190
  500   1HB   GLU  72          HB1       GLU  72   9.851 -16.073   5.636
  501   2HB   GLU  72          HB2       GLU  72   8.357 -16.956   6.102
  502   1HG   GLU  72          HG2       GLU  72   9.747 -16.881   3.344
  503   2HG   GLU  72          HG1       GLU  72  10.249 -17.967   4.706
  504    H    ASP  73           HN       ASP  73   8.180 -14.379   6.987
  505    HA   ASP  73           HA       ASP  73   8.433 -11.746   6.856
  506   1HB   ASP  73          HB2       ASP  73   9.642 -13.460   9.087
  507   2HB   ASP  73          HB1       ASP  73   9.159 -11.728   9.260
  508    H    GLU  74           HN       GLU  74  11.472 -13.599   7.106
  509    HA   GLU  74           HA       GLU  74  12.974 -11.141   6.427
  510   1HB   GLU  74          HB2       GLU  74  14.931 -12.093   7.503
  511   2HB   GLU  74          HB1       GLU  74  13.553 -11.953   8.640
  512   1HG   GLU  74          HG2       GLU  74  13.065 -14.412   8.377
  513   2HG   GLU  74          HG1       GLU  74  14.503 -14.570   7.299
  514    H    TYR  75           HN       TYR  75  11.531 -13.434   4.775
  515    HA   TYR  75           HA       TYR  75  13.831 -14.258   3.095
  516   1HB   TYR  75          HB2       TYR  75  11.143 -15.550   3.725
  517   2HB   TYR  75          HB1       TYR  75  12.279 -16.220   2.489
  518    HD1  TYR  75           HD1      TYR  75  11.778 -15.622   6.149
  519    HD2  TYR  75           HD2      TYR  75  14.283 -17.271   3.109
  520    HE1  TYR  75           HE1      TYR  75  12.960 -16.991   7.836
  521    HE2  TYR  75           HE2      TYR  75  15.489 -18.578   4.792
  522    HH   TYR  75           HH       TYR  75  15.696 -19.091   6.962
  523    H    PHE  76           HN       PHE  76  10.486 -13.006   3.074
  524    HA   PHE  76           HA       PHE  76  10.088 -12.839   0.336
  525   1HB   PHE  76          HB2       PHE  76   8.624 -10.746   0.572
  526   2HB   PHE  76          HB1       PHE  76   8.229 -12.187   1.467
  527    HD1  PHE  76           HD1      PHE  76   6.898 -11.307   3.095
  528    HD2  PHE  76           HD2      PHE  76  10.701  -9.467   2.516
  529    HE1  PHE  76           HE1      PHE  76   6.463  -9.820   4.968
  530    HE2  PHE  76           HE2      PHE  76  10.232  -7.948   4.313
  531    HZ   PHE  76           HZ       PHE  76   8.063  -8.064   5.519
  532    H    SER  77           HN       SER  77  10.266 -11.621  -1.416
  533    HA   SER  77           HA       SER  77  12.541  -9.703  -1.404
  534   1HB   SER  77          HB1       SER  77  12.581 -12.441  -2.819
  535   2HB   SER  77          HB2       SER  77  13.721 -11.107  -3.227
  536    HG   SER  77           HG       SER  77  13.437 -12.286  -0.633
  537    H    ALA  78           HN       ALA  78  13.050  -8.716  -3.480
  538    HA   ALA  78           HA       ALA  78  10.562  -7.765  -4.397
  539   1HB   ALA  78          HB1       ALA  78  12.236  -6.213  -3.503
  540   2HB   ALA  78          HB2       ALA  78  11.760  -5.757  -5.132
  541   3HB   ALA  78          HB3       ALA  78  13.346  -6.591  -4.876
  542    H    GLY  79           HN       GLY  79  10.068  -6.737  -6.195
  543   1HA   GLY  79          HA2       GLY  79  10.809  -7.609  -8.838
  544   2HA   GLY  79          HA1       GLY  79   9.049  -7.980  -8.200
  545    H    VAL  80           HN       VAL  80   9.451  -6.117 -10.333
  546    HA   VAL  80           HA       VAL  80   9.401  -3.488  -9.061
  547    HB   VAL  80           HB       VAL  80   9.688  -4.566 -11.909
  548   1HG1  VAL  80          HG11      VAL  80  10.500  -2.206 -12.451
  549   2HG1  VAL  80          HG12      VAL  80   9.952  -1.662 -10.827
  550   3HG1  VAL  80          HG13      VAL  80   8.751  -2.221 -12.055
  551   1HG2  VAL  80          HG21      VAL  80  11.602  -3.335  -9.863
  552   2HG2  VAL  80          HG22      VAL  80  12.069  -3.862 -11.528
  553   3HG2  VAL  80          HG23      VAL  80  11.546  -5.104 -10.293
  554    H    VAL  81           HN       VAL  81   7.593  -2.479  -8.440
  555    HA   VAL  81           HA       VAL  81   5.144  -3.200  -9.798
  556    HB   VAL  81           HB       VAL  81   5.170  -2.246  -7.416
  557   1HG1  VAL  81          HG21      VAL  81   5.612   0.106  -6.946
  558   2HG1  VAL  81          HG22      VAL  81   5.664   0.547  -8.659
  559   3HG1  VAL  81          HG23      VAL  81   7.022  -0.366  -7.982
  560   1HG2  VAL  81          HG11      VAL  81   3.708  -0.266  -9.242
  561   2HG2  VAL  81          HG12      VAL  81   3.219  -0.884  -7.622
  562   3HG2  VAL  81          HG13      VAL  81   3.182  -1.998  -9.066
  563    H    LYS  82           HN       LYS  82   4.160  -2.208 -11.456
  564    HA   LYS  82           HA       LYS  82   5.479   0.139 -12.695
  565   1HB   LYS  82          HB1       LYS  82   5.190  -1.063 -14.957
  566   2HB   LYS  82          HB2       LYS  82   6.505  -1.601 -13.866
  567   1HG   LYS  82          HG2       LYS  82   5.345  -3.578 -13.165
  568   2HG   LYS  82          HG1       LYS  82   3.792  -3.070 -13.916
  569   1HD   LYS  82          HD2       LYS  82   5.012  -4.852 -15.178
  570   2HD   LYS  82          HD1       LYS  82   4.657  -3.381 -16.157
  571   1HE   LYS  82          HE2       LYS  82   7.016  -2.630 -16.000
  572   2HE   LYS  82          HE1       LYS  82   7.405  -3.986 -14.868
  573   1HZ   LYS  82          HZ1       LYS  82   6.859  -5.531 -16.619
  574   2HZ   LYS  82          HZ2       LYS  82   8.067  -4.446 -17.118
  575   3HZ   LYS  82          HZ3       LYS  82   6.474  -4.260 -17.679
  576    H    GLY  83           HN       GLY  83   2.378  -1.669 -12.244
  577   1HA   GLY  83          HA2       GLY  83   1.005   0.746 -13.139
  578   2HA   GLY  83          HA1       GLY  83   0.838  -0.754 -14.148
  579    H    HIS  84           HN       HIS  84  -0.910   0.984 -12.091
  580    HA   HIS  84           HA       HIS  84  -2.075  -1.316 -10.753
  581   1HB   HIS  84          HB1       HIS  84  -2.048   0.058  -8.532
  582   2HB   HIS  84          HB2       HIS  84  -0.546  -0.672  -9.113
  583    HD1  HIS  84           HD1      HIS  84  -1.607   2.937  -9.889
  584    HD2  HIS  84           HD2      HIS  84   1.475   0.488  -8.469
  585    HE1  HIS  84           HE1      HIS  84   0.412   4.414  -9.356
  586    H    ARG  85           HN       ARG  85  -4.158  -1.371  -9.948
  587    HA   ARG  85           HA       ARG  85  -5.852   0.911 -10.706
  588   1HB   ARG  85          HB2       ARG  85  -7.351  -0.539 -11.766
  589   2HB   ARG  85          HB1       ARG  85  -5.921  -1.605 -11.983
  590   1HG   ARG  85          HG2       ARG  85  -6.501  -2.734  -9.762
  591   2HG   ARG  85          HG1       ARG  85  -8.071  -1.877  -9.823
  592   1HD   ARG  85          HD2       ARG  85  -8.590  -3.942 -10.748
  593   2HD   ARG  85          HD1       ARG  85  -8.837  -2.583 -11.922
  594    HE   ARG  85           HE       ARG  85  -6.209  -3.705 -12.366
  595   1HH1  ARG  85          HH11      ARG  85  -9.659  -4.517 -12.834
  596   2HH1  ARG  85          HH12      ARG  85  -9.369  -5.546 -14.196
  597   1HH2  ARG  85          HH21      ARG  85  -5.843  -5.096 -14.201
  598   2HH2  ARG  85          HH22      ARG  85  -7.177  -5.878 -14.983
  599    H    LYS  86           HN       LYS  86  -7.874   0.873  -9.426
  600    HA   LYS  86           HA       LYS  86  -8.066  -1.025  -7.275
  601   1HB   LYS  86          HB2       LYS  86  -8.426   0.454  -5.505
  602   2HB   LYS  86          HB1       LYS  86  -6.896   0.870  -6.333
  603   1HG   LYS  86          HG2       LYS  86  -9.576   2.473  -6.541
  604   2HG   LYS  86          HG1       LYS  86  -8.140   2.908  -5.574
  605   1HD   LYS  86          HD2       LYS  86  -6.817   2.919  -7.813
  606   2HD   LYS  86          HD1       LYS  86  -8.419   2.853  -8.625
  607   1HE   LYS  86          HE2       LYS  86  -7.634   5.165  -8.594
  608   2HE   LYS  86          HE1       LYS  86  -9.063   5.031  -7.500
  609   1HZ   LYS  86          HZ1       LYS  86  -6.202   5.034  -6.679
  610   2HZ   LYS  86          HZ2       LYS  86  -7.538   4.919  -5.637
  611   3HZ   LYS  86          HZ3       LYS  86  -7.293   6.330  -6.550
  612    H    GLU  87           HN       GLU  87 -10.118  -1.548  -6.746
  613    HA   GLU  87           HA       GLU  87 -12.325  -0.395  -8.337
  614   1HB   GLU  87          HB2       GLU  87 -11.552  -3.319  -7.790
  615   2HB   GLU  87          HB1       GLU  87 -13.164  -2.878  -8.434
  616   1HG   GLU  87          HG2       GLU  87 -10.446  -2.474  -9.824
  617   2HG   GLU  87          HG1       GLU  87 -11.675  -3.733 -10.194
  618    H    SER  88           HN       SER  88 -14.455  -0.771  -6.996
  619    HA   SER  88           HA       SER  88 -13.977  -0.127  -4.267
  620   1HB   SER  88          HB2       SER  88 -16.485  -0.010  -4.141
  621   2HB   SER  88          HB1       SER  88 -15.763   0.939  -5.481
  622    HG   SER  88           HG       SER  88 -16.783  -1.696  -5.730
  623    H    GLY  89           HN       GLY  89 -12.744  -2.090  -3.725
  624   1HA   GLY  89          HA2       GLY  89 -13.033  -3.673  -1.925
  625   2HA   GLY  89          HA1       GLY  89 -14.427  -4.379  -2.810
  626    H    GLU  90           HN       GLU  90 -11.766  -3.549  -5.062
  627    HA   GLU  90           HA       GLU  90 -10.535  -6.115  -4.744
  628   1HB   GLU  90          HB2       GLU  90 -10.945  -5.359  -7.585
  629   2HB   GLU  90          HB1       GLU  90 -11.162  -6.885  -6.688
  630   1HG   GLU  90          HG2       GLU  90 -13.474  -6.300  -6.078
  631   2HG   GLU  90          HG1       GLU  90 -13.280  -4.669  -6.832
  632    H    LEU  91           HN       LEU  91  -8.315  -5.904  -5.605
  633    HA   LEU  91           HA       LEU  91  -7.399  -3.128  -5.960
  634   1HB   LEU  91          HB2       LEU  91  -7.130  -4.602  -3.573
  635   2HB   LEU  91          HB1       LEU  91  -5.694  -5.265  -4.408
  636    HG   LEU  91           HG       LEU  91  -5.181  -3.394  -2.952
  637   1HD1  LEU  91          HD21      LEU  91  -3.926  -1.853  -4.361
  638   2HD1  LEU  91          HD22      LEU  91  -5.000  -2.144  -5.778
  639   3HD1  LEU  91          HD23      LEU  91  -3.897  -3.454  -5.175
  640   1HD2  LEU  91          HD11      LEU  91  -7.390  -2.244  -2.849
  641   2HD2  LEU  91          HD12      LEU  91  -7.076  -1.515  -4.465
  642   3HD2  LEU  91          HD13      LEU  91  -6.017  -1.104  -3.066
  643    H    TYR  92           HN       TYR  92  -5.804  -3.206  -7.886
  644    HA   TYR  92           HA       TYR  92  -4.569  -5.854  -7.917
  645   1HB   TYR  92          HB1       TYR  92  -5.651  -4.845 -10.670
  646   2HB   TYR  92          HB2       TYR  92  -4.805  -6.381 -10.268
  647    HD1  TYR  92           HD1      TYR  92  -6.066  -7.655 -11.543
  648    HD2  TYR  92           HD2      TYR  92  -8.090  -5.023  -8.887
  649    HE1  TYR  92           HE1      TYR  92  -8.205  -8.663 -12.129
  650    HE2  TYR  92           HE2      TYR  92 -10.190  -5.874  -9.571
  651    HH   TYR  92           HH       TYR  92 -10.443  -8.594 -11.874
  652    H    TYR  93           HN       TYR  93  -2.568  -5.871  -8.580
  653    HA   TYR  93           HA       TYR  93  -1.859  -4.099 -10.559
  654   1HB   TYR  93          HB2       TYR  93  -0.119  -2.688  -9.673
  655   2HB   TYR  93          HB1       TYR  93  -1.665  -2.425  -8.822
  656    HD1  TYR  93           HD1      TYR  93  -1.993  -3.039  -6.600
  657    HD2  TYR  93           HD2      TYR  93   1.706  -3.546  -8.622
  658    HE1  TYR  93           HE1      TYR  93  -0.723  -3.005  -4.397
  659    HE2  TYR  93           HE2      TYR  93   2.948  -3.480  -6.621
  660    HH   TYR  93           HH       TYR  93   1.656  -3.700  -3.444
  661    H    SER  94           HN       SER  94   0.299  -3.913 -11.119
  662    HA   SER  94           HA       SER  94   1.077  -6.706 -11.721
  663   1HB   SER  94          HB2       SER  94   0.271  -5.078 -13.535
  664   2HB   SER  94          HB1       SER  94   1.628  -3.979 -13.048
  665    HG   SER  94           HG       SER  94   1.923  -5.447 -14.957
  666    H    ILE  95           HN       ILE  95   2.956  -7.535 -11.082
  667    HA   ILE  95           HA       ILE  95   5.186  -5.699 -10.420
  668    HB   ILE  95           HB       ILE  95   5.735  -8.005  -8.937
  669   1HG1  ILE  95          HG12      ILE  95   3.469  -8.882  -8.945
  670   2HG1  ILE  95          HG11      ILE  95   4.003  -8.316  -7.337
  671   1HG2  ILE  95          HG21      ILE  95   5.650  -6.449  -7.069
  672   2HG2  ILE  95          HG22      ILE  95   4.697  -5.271  -8.048
  673   3HG2  ILE  95          HG23      ILE  95   6.394  -5.696  -8.505
  674   1HD1  ILE  95          HD11      ILE  95   1.787  -7.572  -7.329
  675   2HD1  ILE  95          HD12      ILE  95   1.752  -7.230  -9.069
  676   3HD1  ILE  95          HD13      ILE  95   2.601  -6.099  -7.949
  677    H    GLU  96           HN       GLU  96   6.903  -6.008 -11.568
  678    HA   GLU  96           HA       GLU  96   7.008  -8.440 -13.304
  679   1HB   GLU  96          HB2       GLU  96   7.159  -6.251 -14.413
  680   2HB   GLU  96          HB1       GLU  96   8.562  -5.795 -13.401
  681   1HG   GLU  96          HG2       GLU  96   9.280  -6.366 -15.679
  682   2HG   GLU  96          HG1       GLU  96   9.965  -7.556 -14.522
  683    H    LYS  97           HN       LYS  97   8.106 -10.273 -12.408
  684    HA   LYS  97           HA       LYS  97  10.408  -9.608 -10.629
  685   1HB   LYS  97          HB1       LYS  97   8.179  -9.615  -9.285
  686   2HB   LYS  97          HB2       LYS  97   7.912 -11.242 -10.008
  687   1HG   LYS  97          HG2       LYS  97   9.563 -12.274  -8.641
  688   2HG   LYS  97          HG1       LYS  97  10.374 -10.724  -8.212
  689   1HD   LYS  97          HD2       LYS  97   8.673 -10.385  -6.534
  690   2HD   LYS  97          HD1       LYS  97   7.528 -11.516  -7.325
  691   1HE   LYS  97          HE2       LYS  97   8.492 -12.710  -5.396
  692   2HE   LYS  97          HE1       LYS  97   9.130 -13.446  -6.907
  693   1HZ   LYS  97          HZ1       LYS  97  10.835 -13.118  -5.271
  694   2HZ   LYS  97          HZ2       LYS  97  10.532 -11.448  -5.204
  695   3HZ   LYS  97          HZ3       LYS  97  11.134 -12.145  -6.631
  696    H    GLU  98           HN       GLU  98  11.923 -11.045 -10.349
  697    HA   GLU  98           HA       GLU  98  13.197 -12.823 -10.552
  698   1HB   GLU  98          HB1       GLU  98  11.501 -13.667  -9.050
  699   2HB   GLU  98          HB2       GLU  98  10.506 -14.320 -10.451
  700   1HG   GLU  98          HG2       GLU  98  12.507 -15.934 -10.837
  701   2HG   GLU  98          HG1       GLU  98  13.287 -15.150  -9.397
  702    H    GLY  99           HN       GLY  99  11.500 -11.804 -12.942
  703   1HA   GLY  99          HA2       GLY  99  12.719 -11.692 -15.104
  704   2HA   GLY  99          HA1       GLY  99  12.761 -13.491 -15.095
  705    H    GLN 100           HN       GLN 100   9.830 -12.836 -13.768
  706    HA   GLN 100           HA       GLN 100   8.426 -12.357 -16.257
  707   1HB   GLN 100          HB2       GLN 100   6.938 -14.416 -15.915
  708   2HB   GLN 100          HB1       GLN 100   8.645 -14.782 -16.280
  709   1HG   GLN 100          HG2       GLN 100   7.985 -16.358 -14.658
  710   2HG   GLN 100          HG1       GLN 100   9.089 -15.234 -13.814
  711   1HE2  GLN 100          HE21      GLN 100   8.160 -13.773 -12.223
  712   2HE2  GLN 100          HE22      GLN 100   6.520 -14.077 -11.591
  713    H    ARG 101           HN       ARG 101   5.944 -12.358 -15.960
  714    HA   ARG 101           HA       ARG 101   5.636 -10.258 -13.982
  715   1HB   ARG 101          HB1       ARG 101   5.135  -9.971 -16.411
  716   2HB   ARG 101          HB2       ARG 101   3.710 -11.030 -16.209
  717   1HG   ARG 101          HG1       ARG 101   3.991  -8.733 -14.239
  718   2HG   ARG 101          HG2       ARG 101   3.789  -8.239 -15.944
  719   1HD   ARG 101          HD1       ARG 101   1.865 -10.171 -14.481
  720   2HD   ARG 101          HD2       ARG 101   1.586  -8.399 -14.646
  721    HE   ARG 101           HE       ARG 101   1.407 -10.494 -16.770
  722   1HH1  ARG 101          HH11      ARG 101   1.577  -6.976 -16.125
  723   2HH1  ARG 101          HH12      ARG 101   0.936  -6.535 -17.674
  724   1HH2  ARG 101          HH21      ARG 101   0.552  -9.873 -18.830
  725   2HH2  ARG 101          HH22      ARG 101   0.347  -8.199 -19.226
  726    H    LYS 102           HN       LYS 102   4.316 -10.099 -12.275
  727    HA   LYS 102           HA       LYS 102   2.607 -12.481 -11.678
  728   1HB   LYS 102          HB1       LYS 102   4.486 -10.933  -9.816
  729   2HB   LYS 102          HB2       LYS 102   3.055 -11.799  -9.149
  730   1HG   LYS 102          HG2       LYS 102   3.791 -13.910  -9.677
  731   2HG   LYS 102          HG1       LYS 102   4.920 -13.377 -10.962
  732   1HD   LYS 102          HD1       LYS 102   6.638 -12.814  -9.407
  733   2HD   LYS 102          HD2       LYS 102   5.455 -12.570  -8.063
  734   1HE   LYS 102          HE1       LYS 102   6.850 -14.591  -7.699
  735   2HE   LYS 102          HE2       LYS 102   5.107 -15.034  -7.886
  736   1HZ   LYS 102          HZ1       LYS 102   7.191 -15.218  -9.993
  737   2HZ   LYS 102          HZ2       LYS 102   5.555 -15.637 -10.160
  738   3HZ   LYS 102          HZ3       LYS 102   6.548 -16.501  -9.087
  739    H    TRP 103           HN       TRP 103   0.499 -11.932 -11.264
  740    HA   TRP 103           HA       TRP 103  -0.125  -9.031 -10.983
  741   1HB   TRP 103          HB2       TRP 103  -1.413 -11.289 -12.580
  742   2HB   TRP 103          HB1       TRP 103  -2.576 -10.225 -11.749
  743    HD1  TRP 103           HD1      TRP 103  -0.954 -10.423 -15.039
  744    HE1  TRP 103           HE1      TRP 103  -1.848  -8.385 -16.382
  745    HE3  TRP 103           HE3      TRP 103  -2.555  -7.562 -11.158
  746    HZ2  TRP 103           HZ2      TRP 103  -3.251  -6.016 -15.802
  747    HZ3  TRP 103           HZ3      TRP 103  -3.459  -5.309 -11.645
  748    HH2  TRP 103           HH2      TRP 103  -3.868  -4.588 -13.919
  749    H    TYR 104           HN       TYR 104  -0.863  -8.556  -9.056
  750    HA   TYR 104           HA       TYR 104  -2.269 -10.491  -7.266
  751   1HB   TYR 104          HB2       TYR 104  -0.069  -8.659  -6.240
  752   2HB   TYR 104          HB1       TYR 104  -1.105  -9.790  -5.322
  753    HD1  TYR 104           HD1      TYR 104  -1.230 -12.260  -6.471
  754    HD2  TYR 104           HD2      TYR 104   2.052  -9.548  -6.583
  755    HE1  TYR 104           HE1      TYR 104   0.301 -14.138  -6.688
  756    HE2  TYR 104           HE2      TYR 104   3.596 -11.431  -6.835
  757    HH   TYR 104           HH       TYR 104   2.547 -14.713  -7.313
  758    H    LYS 105           HN       LYS 105  -3.223  -9.218  -5.263
  759    HA   LYS 105           HA       LYS 105  -4.221  -6.655  -5.816
  760   1HB   LYS 105          HB1       LYS 105  -5.969  -7.380  -4.098
  761   2HB   LYS 105          HB2       LYS 105  -6.117  -8.314  -5.603
  762   1HG   LYS 105          HG2       LYS 105  -4.495  -9.503  -3.296
  763   2HG   LYS 105          HG1       LYS 105  -6.275  -9.478  -3.213
  764   1HD   LYS 105          HD1       LYS 105  -6.518 -10.849  -5.158
  765   2HD   LYS 105          HD2       LYS 105  -4.809 -10.663  -5.646
  766   1HE   LYS 105          HE2       LYS 105  -4.071 -11.918  -3.583
  767   2HE   LYS 105          HE1       LYS 105  -5.806 -12.126  -3.104
  768   1HZ   LYS 105          HZ1       LYS 105  -4.939 -14.045  -4.230
  769   2HZ   LYS 105          HZ2       LYS 105  -4.540 -13.128  -5.603
  770   3HZ   LYS 105          HZ3       LYS 105  -6.167 -13.324  -5.155
  771    H    ARG 106           HN       ARG 106  -4.033  -5.608  -3.659
  772    HA   ARG 106           HA       ARG 106  -1.624  -5.158  -2.693
  773   1HB   ARG 106          HB2       ARG 106  -4.244  -4.995  -1.185
  774   2HB   ARG 106          HB1       ARG 106  -2.822  -4.820  -0.166
  775   1HG   ARG 106          HG1       ARG 106  -3.355  -2.904  -2.443
  776   2HG   ARG 106          HG2       ARG 106  -3.498  -2.628  -0.683
  777   1HD   ARG 106          HD2       ARG 106  -0.964  -3.152  -2.362
  778   2HD   ARG 106          HD1       ARG 106  -1.436  -1.633  -1.491
  779    HE   ARG 106           HE       ARG 106  -1.308  -3.661   0.488
  780   1HH1  ARG 106          HH11      ARG 106   0.925  -2.194  -1.888
  781   2HH1  ARG 106          HH12      ARG 106   2.333  -2.421  -0.905
  782   1HH2  ARG 106          HH21      ARG 106   0.606  -3.948   1.791
  783   2HH2  ARG 106          HH22      ARG 106   2.151  -3.430   1.202
  784    H    MET 107           HN       MET 107  -3.304  -7.856  -1.165
  785    HA   MET 107           HA       MET 107  -1.504  -8.241   0.959
  786   1HB   MET 107          HB1       MET 107  -2.811 -10.263   1.466
  787   2HB   MET 107          HB2       MET 107  -3.811  -8.801   1.171
  788   1HG   MET 107          HG2       MET 107  -4.058  -9.650  -1.291
  789   2HG   MET 107          HG1       MET 107  -3.318 -11.178  -0.746
  790   1HE   MET 107          HE1       MET 107  -4.326 -11.855   2.009
  791   2HE   MET 107          HE2       MET 107  -4.420 -12.987   0.614
  792   3HE   MET 107          HE3       MET 107  -5.844 -12.755   1.679
  793    H    ALA 108           HN       ALA 108  -0.990  -9.273  -2.345
  794    HA   ALA 108           HA       ALA 108   1.185 -10.982  -1.324
  795   1HB   ALA 108          HB1       ALA 108  -0.281 -11.080  -4.012
  796   2HB   ALA 108          HB2       ALA 108  -0.137 -12.421  -2.848
  797   3HB   ALA 108          HB3       ALA 108   1.282 -11.901  -3.850
  798    H    VAL 109           HN       VAL 109   0.841  -8.094  -2.276
  799    HA   VAL 109           HA       VAL 109   3.651  -7.817  -3.040
  800    HB   VAL 109           HB       VAL 109   2.592  -7.843  -5.130
  801   1HG1  VAL 109          HG21      VAL 109   0.754  -5.579  -4.122
  802   2HG1  VAL 109          HG22      VAL 109   0.290  -7.238  -4.592
  803   3HG1  VAL 109          HG23      VAL 109   0.907  -6.094  -5.837
  804   1HG2  VAL 109          HG11      VAL 109   3.547  -4.990  -4.417
  805   2HG2  VAL 109          HG12      VAL 109   3.524  -5.746  -6.038
  806   3HG2  VAL 109          HG13      VAL 109   4.589  -6.418  -4.750
  807    H    ILE 110           HN       ILE 110   4.329  -7.077  -1.233
  808    HA   ILE 110           HA       ILE 110   3.075  -4.836   0.223
  809    HB   ILE 110           HB       ILE 110   4.997  -5.654   1.907
  810   1HG1  ILE 110          HG12      ILE 110   4.076  -8.304   0.641
  811   2HG1  ILE 110          HG11      ILE 110   5.578  -7.524   0.052
  812   1HG2  ILE 110          HG21      ILE 110   2.523  -5.454   2.329
  813   2HG2  ILE 110          HG22      ILE 110   3.130  -7.022   2.952
  814   3HG2  ILE 110          HG23      ILE 110   2.226  -6.960   1.387
  815   1HD1  ILE 110          HD11      ILE 110   5.127  -8.308   2.980
  816   2HD1  ILE 110          HD12      ILE 110   6.618  -7.570   2.249
  817   3HD1  ILE 110          HD13      ILE 110   6.091  -9.210   1.749
  818    H    LEU 111           HN       LEU 111   4.802  -3.349   1.594
  819    HA   LEU 111           HA       LEU 111   7.169  -2.749  -0.077
  820   1HB   LEU 111          HB2       LEU 111   6.414  -0.187   0.087
  821   2HB   LEU 111          HB1       LEU 111   5.897  -1.219  -1.242
  822    HG   LEU 111           HG       LEU 111   3.672  -1.522  -0.415
  823   1HD1  LEU 111          HD11      LEU 111   3.091  -0.107   1.779
  824   2HD1  LEU 111          HD12      LEU 111   4.839  -0.305   2.093
  825   3HD1  LEU 111          HD13      LEU 111   3.779  -1.748   1.996
  826   1HD2  LEU 111          HD21      LEU 111   2.965   0.883  -0.224
  827   2HD2  LEU 111          HD22      LEU 111   4.200   0.536  -1.493
  828   3HD2  LEU 111          HD23      LEU 111   4.668   1.367   0.082
  829    H    SER 112           HN       SER 112   8.837  -1.417   0.934
  830    HA   SER 112           HA       SER 112   8.696  -1.478   3.893
  831   1HB   SER 112          HB2       SER 112  11.149  -1.593   3.894
  832   2HB   SER 112          HB1       SER 112  10.353  -2.930   3.016
  833    HG   SER 112           HG       SER 112  10.805  -1.781   1.021
  834    H    LEU 113           HN       LEU 113  10.129   0.314   5.093
  835    HA   LEU 113           HA       LEU 113   9.032   2.909   4.439
  836   1HB   LEU 113          HB2       LEU 113  11.518   2.742   6.176
  837   2HB   LEU 113          HB1       LEU 113  10.317   4.070   5.920
  838    HG   LEU 113           HG       LEU 113   9.334   1.440   7.107
  839   1HD1  LEU 113          HD21      LEU 113  10.214   2.073   9.371
  840   2HD1  LEU 113          HD22      LEU 113  11.092   3.483   8.597
  841   3HD1  LEU 113          HD23      LEU 113  11.555   1.804   8.192
  842   1HD2  LEU 113          HD11      LEU 113   7.903   2.902   8.466
  843   2HD2  LEU 113          HD12      LEU 113   7.786   3.444   6.759
  844   3HD2  LEU 113          HD13      LEU 113   8.789   4.380   7.904
  845    H    GLU 114           HN       GLU 114  12.429   1.996   3.780
  846    HA   GLU 114           HA       GLU 114  12.515   4.609   2.481
  847   1HB   GLU 114          HB2       GLU 114  14.740   3.125   3.199
  848   2HB   GLU 114          HB1       GLU 114  14.901   3.895   1.578
  849   1HG   GLU 114          HG1       GLU 114  13.972   6.085   2.514
  850   2HG   GLU 114          HG2       GLU 114  13.865   5.270   4.148
  851    H    GLN 115           HN       GLN 115  11.118   2.060   1.195
  852    HA   GLN 115           HA       GLN 115  10.885   3.204  -1.485
  853   1HB   GLN 115          HB2       GLN 115   9.109   1.058  -0.176
  854   2HB   GLN 115          HB1       GLN 115   9.337   1.439  -1.962
  855   1HG   GLN 115          HG1       GLN 115  11.693   0.507  -1.772
  856   2HG   GLN 115          HG2       GLN 115  11.456   0.232  -0.009
  857   1HE2  GLN 115          HE21      GLN 115   9.912  -0.381  -3.137
  858   2HE2  GLN 115          HE22      GLN 115   9.873  -2.098  -2.910
  859    H    GLY 116           HN       GLY 116   9.207   3.098   1.634
  860   1HA   GLY 116          HA2       GLY 116   6.765   4.375   1.073
  861   2HA   GLY 116          HA1       GLY 116   7.534   3.952   2.604
  862    H    ASN 117           HN       ASN 117   9.686   5.414   2.896
  863    HA   ASN 117           HA       ASN 117   8.863   8.071   3.420
  864   1HB   ASN 117          HB2       ASN 117  11.566   6.670   3.736
  865   2HB   ASN 117          HB1       ASN 117  11.275   8.384   4.239
  866   1HD2  ASN 117          HD21      ASN 117  12.082   7.021   6.210
  867   2HD2  ASN 117          HD22      ASN 117  10.757   6.676   7.328
  868    H    ARG 118           HN       ARG 118  10.612   6.666   0.715
  869    HA   ARG 118           HA       ARG 118  11.751   9.017  -0.243
  870   1HB   ARG 118          HB2       ARG 118  12.175   7.894  -2.341
  871   2HB   ARG 118          HB1       ARG 118  12.571   6.839  -0.965
  872   1HG   ARG 118          HG2       ARG 118  11.247   5.215  -1.800
  873   2HG   ARG 118          HG1       ARG 118   9.807   6.258  -1.640
  874   1HD   ARG 118          HD2       ARG 118   9.977   5.403  -3.919
  875   2HD   ARG 118          HD1       ARG 118  10.329   7.189  -3.987
  876    HE   ARG 118           HE       ARG 118  12.844   5.964  -3.649
  877   1HH1  ARG 118          HH11      ARG 118  10.218   5.686  -6.062
  878   2HH1  ARG 118          HH12      ARG 118  11.280   5.251  -7.359
  879   1HH2  ARG 118          HH21      ARG 118  14.247   5.376  -5.408
  880   2HH2  ARG 118          HH22      ARG 118  13.595   5.072  -6.983
  881    H    LEU 119           HN       LEU 119   8.672   7.416  -0.510
  882    HA   LEU 119           HA       LEU 119   7.195   9.016  -2.480
  883   1HB   LEU 119          HB2       LEU 119   6.872   6.345  -2.161
  884   2HB   LEU 119          HB1       LEU 119   6.200   6.739  -0.619
  885    HG   LEU 119           HG       LEU 119   5.122   8.333  -2.913
  886   1HD1  LEU 119          HD11      LEU 119   3.690   6.527  -3.830
  887   2HD1  LEU 119          HD12      LEU 119   4.322   5.374  -2.633
  888   3HD1  LEU 119          HD13      LEU 119   5.389   5.995  -3.938
  889   1HD2  LEU 119          HD21      LEU 119   2.938   7.457  -1.872
  890   2HD2  LEU 119          HD22      LEU 119   3.987   8.414  -0.737
  891   3HD2  LEU 119          HD23      LEU 119   3.952   6.611  -0.670
  892    H    ARG 120           HN       ARG 120   7.098   8.344   1.044
  893    HA   ARG 120           HA       ARG 120   4.818   9.139   1.550
  894   1HB   ARG 120          HB1       ARG 120   5.582   9.425   3.985
  895   2HB   ARG 120          HB2       ARG 120   6.820   8.315   3.325
  896   1HG   ARG 120          HG2       ARG 120   8.335  10.367   3.166
  897   2HG   ARG 120          HG1       ARG 120   7.009  11.392   3.807
  898   1HD   ARG 120          HD2       ARG 120   6.889  10.102   5.900
  899   2HD   ARG 120          HD1       ARG 120   8.238   9.030   5.328
  900    HE   ARG 120           HE       ARG 120   9.029  11.820   5.131
  901   1HH1  ARG 120          HH11      ARG 120   8.454   9.261   7.562
  902   2HH1  ARG 120          HH12      ARG 120   9.531   9.947   8.734
  903   1HH2  ARG 120          HH21      ARG 120  10.470  12.725   6.723
  904   2HH2  ARG 120          HH22      ARG 120  10.689  11.938   8.251
  905    H    GLU 121           HN       GLU 121   7.164  11.755   1.196
  906    HA   GLU 121           HA       GLU 121   5.280  13.842   1.890
  907   1HB   GLU 121          HB2       GLU 121   7.278  15.324   1.447
  908   2HB   GLU 121          HB1       GLU 121   7.509  14.076   2.709
  909   1HG   GLU 121          HG1       GLU 121   8.787  12.616   1.135
  910   2HG   GLU 121          HG2       GLU 121   8.536  13.811  -0.194
  911    H    GLN 122           HN       GLN 122   6.111  12.117  -1.069
  912    HA   GLN 122           HA       GLN 122   5.148  14.313  -2.744
  913   1HB   GLN 122          HB2       GLN 122   6.083  13.108  -4.683
  914   2HB   GLN 122          HB1       GLN 122   7.282  13.743  -3.514
  915   1HG   GLN 122          HG1       GLN 122   7.743  11.502  -2.638
  916   2HG   GLN 122          HG2       GLN 122   6.483  10.747  -3.689
  917   1HE2  GLN 122          HE21      GLN 122   9.595  10.524  -3.479
  918   2HE2  GLN 122          HE22      GLN 122  10.111  10.732  -5.158
  919    H    TYR 123           HN       TYR 123   4.436  10.704  -2.000
  920    HA   TYR 123           HA       TYR 123   1.895  11.368  -3.519
  921   1HB   TYR 123          HB1       TYR 123   3.069   8.596  -3.653
  922   2HB   TYR 123          HB2       TYR 123   1.723   9.288  -4.597
  923    HD1  TYR 123           HD1      TYR 123   4.899   8.211  -4.897
  924    HD2  TYR 123           HD2      TYR 123   2.665  11.721  -5.778
  925    HE1  TYR 123           HE1      TYR 123   6.569   8.813  -6.394
  926    HE2  TYR 123           HE2      TYR 123   4.330  12.318  -7.462
  927    HH   TYR 123           HH       TYR 123   7.267  11.385  -7.358
  928    H    GLY 124           HN       GLY 124   2.638   9.923  -0.003
  929   1HA   GLY 124          HA2       GLY 124   0.035   9.936   0.178
  930   2HA   GLY 124          HA1       GLY 124   0.509   8.229  -0.314
  931    H    LEU 125           HN       LEU 125   2.954   7.957   0.746
  932    HA   LEU 125           HA       LEU 125   2.275   7.033   2.989
  933   1HB   LEU 125          HB2       LEU 125   4.767   6.801   1.603
  934   2HB   LEU 125          HB1       LEU 125   4.998   6.451   3.357
  935    HG   LEU 125           HG       LEU 125   4.634   4.488   2.576
  936   1HD1  LEU 125          HD11      LEU 125   2.561   5.249   4.156
  937   2HD1  LEU 125          HD12      LEU 125   2.666   3.569   3.445
  938   3HD1  LEU 125          HD13      LEU 125   1.650   4.858   2.714
  939   1HD2  LEU 125          HD21      LEU 125   4.237   4.912   0.210
  940   2HD2  LEU 125          HD22      LEU 125   2.507   5.370   0.535
  941   3HD2  LEU 125          HD23      LEU 125   3.100   3.675   0.802
  942    H    GLY 126           HN       GLY 126   2.424  10.124   3.249
  943   1HA   GLY 126          HA2       GLY 126   1.716   9.906   5.927
  944   2HA   GLY 126          HA1       GLY 126   3.418  10.481   5.953
  945    HA   PRO 127           HA       PRO 127   0.924  14.303   4.615
  946   1HB   PRO 127          HB2       PRO 127  -1.690  14.687   5.289
  947   2HB   PRO 127          HB1       PRO 127  -1.252  13.579   3.939
  948   1HG   PRO 127          HG2       PRO 127  -1.852  12.820   6.854
  949   2HG   PRO 127          HG1       PRO 127  -2.646  12.177   5.411
  950   1HD   PRO 127          HD1       PRO 127  -0.353  11.017   6.633
  951   2HD   PRO 127          HD2       PRO 127  -0.618  10.840   4.829
  952    H    TYR 128           HN       TYR 128   1.128  12.855   7.742
  953    HA   TYR 128           HA       TYR 128   1.394  15.533   8.997
  954   1HB   TYR 128          HB2       TYR 128  -0.532  14.195   9.925
  955   2HB   TYR 128          HB1       TYR 128   0.610  12.883  10.367
  956    HD1  TYR 128           HD1      TYR 128   0.411  16.658  10.755
  957    HD2  TYR 128           HD2      TYR 128   1.120  12.897  12.628
  958    HE1  TYR 128           HE1      TYR 128   0.766  17.796  12.900
  959    HE2  TYR 128           HE2      TYR 128   1.452  14.033  14.779
  960    HH   TYR 128           HH       TYR 128   1.153  17.549  15.133
  961    H    GLU 129           HN       GLU 129   3.402  16.034   9.714
  962    HA   GLU 129           HA       GLU 129   5.429  13.955  10.191
  963   1HB   GLU 129          HB2       GLU 129   5.596  16.361   8.303
  964   2HB   GLU 129          HB1       GLU 129   7.031  15.992   9.305
  965   1HG   GLU 129          HG1       GLU 129   7.439  14.982   7.228
  966   2HG   GLU 129          HG2       GLU 129   7.148  13.673   8.428