*HEADER    PROTEIN BINDING                         20-JAN-06   2FRY              
*TITLE     SOLUTION STRUCTURE OF THE THIRD SH3 DOMAIN OF HUMAN NCK2              
*TITLE    2 ADAPTOR PROTEIN                                                      
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: CYTOPLASMIC PROTEIN NCK2;                                  
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: SH3_3;                                                     
*COMPND   5 SYNONYM: NCK ADAPTOR PROTEIN 2, SH2/SH3 ADAPTOR PROTEIN              
*COMPND   6 NCK-BETA, NCK-2;                                                     
*COMPND   7 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   5 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   6 EXPRESSION_SYSTEM_STRAIN: BL21;                                      
*SOURCE   7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   8 EXPRESSION_SYSTEM_PLASMID: PET32-A                                   
*KEYWDS    SH3                                                                   
*EXPDTA    NMR, 10 STRUCTURES                                                    
*AUTHOR    J.LIU                                                                 
*REVDAT   1   20-JUN-06 2FRY    0                                                


SH3_3_Dih.tbl0000664000076400007640000003212610320422264013121 0ustar  dudududu00000000000000! Error ranges were set to 2*standard deviation of TALOS output or 15 deg if stdev was <15 deg.
 
! phi 
! 1-2 : 
assign (resid  1 and name c  ) (resid  2 and name n  )
(resid  2 and name ca  ) (resid  2 and name c  ) 1 -107.570 56.6 2
 
 
! psi
! 2-3 : 
assign (resid  2 and name n  ) (resid  2 and name ca  )
(resid 2 and name c ) (resid 3 and name n ) 1 129.570 75.78 2
 
 
! phi 
! 2-3 : 
assign (resid  2 and name c  ) (resid  3 and name n  )
(resid  3 and name ca  ) (resid  3 and name c  ) 1 -107.350 26.22 2
 
 
! psi
! 3-4 : 
assign (resid  3 and name n  ) (resid  3 and name ca  )
(resid 3 and name c ) (resid 4 and name n ) 1 112.700 45.04 2
 
 
! phi 
! 3-4 : 
assign (resid  3 and name c  ) (resid  4 and name n  )
(resid  4 and name ca  ) (resid  4 and name c  ) 1 -110.680 17.74 2
 
 
! psi
! 4-5 : 
assign (resid  4 and name n  ) (resid  4 and name ca  )
(resid 4 and name c ) (resid 5 and name n ) 1 143.810 22.39 2
 
 
! phi 
! 4-5 : 
assign (resid  4 and name c  ) (resid  5 and name n  )
(resid  5 and name ca  ) (resid  5 and name c  ) 1 -127.180 7.55 2
 
 
! psi
! 5-6 : 
assign (resid  5 and name n  ) (resid  5 and name ca  )
(resid 5 and name c ) (resid 6 and name n ) 1 149.990 16.61 2
 
 
! phi 
! 5-6 : 
assign (resid  5 and name c  ) (resid  6 and name n  )
(resid  6 and name ca  ) (resid  6 and name c  ) 1 -121.230 17.87 2
 
 
! psi
! 6-7 : 
assign (resid  6 and name n  ) (resid  6 and name ca  )
(resid 6 and name c ) (resid 7 and name n ) 1 138.500 20.38 2
 
 
! phi 
! 6-7 : 
assign (resid  6 and name c  ) (resid  7 and name n  )
(resid  7 and name ca  ) (resid  7 and name c  ) 1 -108.450 26.95 2
 
 
! psi
! 7-8 : 
assign (resid  7 and name n  ) (resid  7 and name ca  )
(resid 7 and name c ) (resid 8 and name n ) 1 146.050 25.72 2
 
 
! phi 
! 7-8 : 
assign (resid  7 and name c  ) (resid  8 and name n  )
(resid  8 and name ca  ) (resid  8 and name c  ) 1 -90.100 40.8 2
 
 
! psi
! 8-9 : 
assign (resid  8 and name n  ) (resid  8 and name ca  )
(resid 8 and name c ) (resid 9 and name n ) 1 -13.510 36.32 2
 
 
! phi 
! 8-9 : 
assign (resid  8 and name c  ) (resid  9 and name n  )
(resid  9 and name ca  ) (resid  9 and name c  ) 1 -118.060 24.78 2
 
 
! psi
! 9-10 : 
assign (resid  9 and name n  ) (resid  9 and name ca  )
(resid 9 and name c ) (resid 10 and name n ) 1 126.680 34.77 2
 
 
! phi 
! 10-11 : 
assign (resid  10 and name c  ) (resid  11 and name n  )
(resid  11 and name ca  ) (resid  11 and name c  ) 1 -94.990 22.82 2
 
 
! psi
! 11-12 : 
assign (resid  11 and name n  ) (resid  11 and name ca  )
(resid 11 and name c ) (resid 12 and name n ) 1 141.010 11.36 2
 
 
! phi 
! 11-12 : 
assign (resid  11 and name c  ) (resid  12 and name n  )
(resid  12 and name ca  ) (resid  12 and name c  ) 1 -112.620 16.33 2
 
 
! psi
! 12-13 : 
assign (resid  12 and name n  ) (resid  12 and name ca  )
(resid 12 and name c ) (resid 13 and name n ) 1 135.130 16.57 2
 
 
! phi 
! 12-13 : 
assign (resid  12 and name c  ) (resid  13 and name n  )
(resid  13 and name ca  ) (resid  13 and name c  ) 1 -110.920 71.16 2
 
 
! psi
! 13-14 : 
assign (resid  13 and name n  ) (resid  13 and name ca  )
(resid 13 and name c ) (resid 14 and name n ) 1 134.410 37.12 2
 
 
! phi 
! 13-14 : 
assign (resid  13 and name c  ) (resid  14 and name n  )
(resid  14 and name ca  ) (resid  14 and name c  ) 1 -108.640 64.3 2
 
 
! psi
! 15-16 : 
assign (resid  15 and name n  ) (resid  15 and name ca  )
(resid 15 and name c ) (resid 16 and name n ) 1 150.820 21.54 2
 
 
! phi 
! 15-16 : 
assign (resid  15 and name c  ) (resid  16 and name n  )
(resid  16 and name ca  ) (resid  16 and name c  ) 1 -68.770 17.92 2
 
 
! psi
! 16-17 : 
assign (resid  16 and name n  ) (resid  16 and name ca  )
(resid 16 and name c ) (resid 17 and name n ) 1 -19.190 18.1 2
 
 
! phi 
! 16-17 : 
assign (resid  16 and name c  ) (resid  17 and name n  )
(resid  17 and name ca  ) (resid  17 and name c  ) 1 -88.560 37.18 2
 
 
! psi
! 17-18 : 
assign (resid  17 and name n  ) (resid  17 and name ca  )
(resid 17 and name c ) (resid 18 and name n ) 1 -11.040 44.06 2
 
 
! phi 
! 17-18 : 
assign (resid  17 and name c  ) (resid  18 and name n  )
(resid  18 and name ca  ) (resid  18 and name c  ) 1 -97.300 69.18 2
 
 
! psi
! 18-19 : 
assign (resid  18 and name n  ) (resid  18 and name ca  )
(resid 18 and name c ) (resid 19 and name n ) 1 155.880 37.14 2
 
 
! phi 
! 19-20 : 
assign (resid  19 and name c  ) (resid  20 and name n  )
(resid  20 and name ca  ) (resid  20 and name c  ) 1 -134.620 33.4 2
 
 
! psi
! 20-21 : 
assign (resid  20 and name n  ) (resid  20 and name ca  )
(resid 20 and name c ) (resid 21 and name n ) 1 149.540 47.12 2
 
 
! phi 
! 20-21 : 
assign (resid  20 and name c  ) (resid  21 and name n  )
(resid  21 and name ca  ) (resid  21 and name c  ) 1 -116.390 16.66 2
 
 
! psi
! 21-22 : 
assign (resid  21 and name n  ) (resid  21 and name ca  )
(resid 21 and name c ) (resid 22 and name n ) 1 141.760 20.87 2
 
 
! phi 
! 21-22 : 
assign (resid  21 and name c  ) (resid  22 and name n  )
(resid  22 and name ca  ) (resid  22 and name c  ) 1 -101.690 36.7 2
 
 
! psi
! 22-23 : 
assign (resid  22 and name n  ) (resid  22 and name ca  )
(resid 22 and name c ) (resid 23 and name n ) 1 150.410 51.54 2
 
 
! phi 
! 22-23 : 
assign (resid  22 and name c  ) (resid  23 and name n  )
(resid  23 and name ca  ) (resid  23 and name c  ) 1 -63.390 9.83 2
 
 
! psi
! 23-24 : 
assign (resid  23 and name n  ) (resid  23 and name ca  )
(resid 23 and name c ) (resid 24 and name n ) 1 131.820 11.09 2
 
 
! phi 
! 24-25 : 
assign (resid  24 and name c  ) (resid  25 and name n  )
(resid  25 and name ca  ) (resid  25 and name c  ) 1 -77.570 16.79 2
 
 
! psi
! 26-27 : 
assign (resid  26 and name n  ) (resid  26 and name ca  )
(resid 26 and name c ) (resid 27 and name n ) 1 131.580 14.37 2
 
 
! phi 
! 26-27 : 
assign (resid  26 and name c  ) (resid  27 and name n  )
(resid  27 and name ca  ) (resid  27 and name c  ) 1 -124.940 12.88 2
 
 
! psi
! 27-28 : 
assign (resid  27 and name n  ) (resid  27 and name ca  )
(resid 27 and name c ) (resid 28 and name n ) 1 149.790 13.64 2
 
 
! phi 
! 27-28 : 
assign (resid  27 and name c  ) (resid  28 and name n  )
(resid  28 and name ca  ) (resid  28 and name c  ) 1 -115.330 9.4 2
 
 
! psi
! 28-29 : 
assign (resid  28 and name n  ) (resid  28 and name ca  )
(resid 28 and name c ) (resid 29 and name n ) 1 125.020 12.39 2
 
 
! phi 
! 28-29 : 
assign (resid  28 and name c  ) (resid  29 and name n  )
(resid  29 and name ca  ) (resid  29 and name c  ) 1 -85.710 12.62 2
 
 
! psi
! 29-30 : 
assign (resid  29 and name n  ) (resid  29 and name ca  )
(resid 29 and name c ) (resid 30 and name n ) 1 122.350 14.9 2
 
 
! phi 
! 29-30 : 
assign (resid  29 and name c  ) (resid  30 and name n  )
(resid  30 and name ca  ) (resid  30 and name c  ) 1 -99.370 19.74 2
 
 
! psi
! 31-32 : 
assign (resid  31 and name n  ) (resid  31 and name ca  )
(resid 31 and name c ) (resid 32 and name n ) 1 146.570 38.5 2
 
 
! phi 
! 31-32 : 
assign (resid  31 and name c  ) (resid  32 and name n  )
(resid  32 and name ca  ) (resid  32 and name c  ) 1 -95.750 25.68 2
 
 
! psi
! 32-33 : 
assign (resid  32 and name n  ) (resid  32 and name ca  )
(resid 32 and name c ) (resid 33 and name n ) 1 133.210 25.35 2
 
 
! phi 
! 33-34 : 
assign (resid  33 and name c  ) (resid  34 and name n  )
(resid  34 and name ca  ) (resid  34 and name c  ) 1 -59.850 28.48 2
 
 
! psi
! 34-35 : 
assign (resid  34 and name n  ) (resid  34 and name ca  )
(resid 34 and name c ) (resid 35 and name n ) 1 -36.840 15.56 2
 
 
! phi 
! 34-35 : 
assign (resid  34 and name c  ) (resid  35 and name n  )
(resid  35 and name ca  ) (resid  35 and name c  ) 1 -91.560 29.68 2
 
 
! psi
! 35-36 : 
assign (resid  35 and name n  ) (resid  35 and name ca  )
(resid 35 and name c ) (resid 36 and name n ) 1 -10.100 34.78 2
 
 
! phi 
! 35-36 : 
assign (resid  35 and name c  ) (resid  36 and name n  )
(resid  36 and name ca  ) (resid  36 and name c  ) 1 -95.830 27.87 2
 
 
! psi
! 36-37 : 
assign (resid  36 and name n  ) (resid  36 and name ca  )
(resid 36 and name c ) (resid 37 and name n ) 1 132.920 31.61 2
 
 
! phi 
! 38-39 : 
assign (resid  38 and name c  ) (resid  39 and name n  )
(resid  39 and name ca  ) (resid  39 and name c  ) 1 -128.780 22.52 2
 
 
! psi
! 39-40 : 
assign (resid  39 and name n  ) (resid  39 and name ca  )
(resid 39 and name c ) (resid 40 and name n ) 1 154.940 8.71 2
 
 
! phi 
! 39-40 : 
assign (resid  39 and name c  ) (resid  40 and name n  )
(resid  40 and name ca  ) (resid  40 and name c  ) 1 -115.520 10.16 2
 
 
! psi
! 40-41 : 
!assign (resid  40 and name n  ) (resid  40 and name ca  )
!(resid 40 and name c ) (resid 41 and name n ) 1 135.460 18.32 2
 
 
! phi 
! 40-41 : 
!assign (resid  40 and name c  ) (resid  41 and name n  )
!(resid  41 and name ca  ) (resid  41 and name c  ) 1 -109.560 17.94 2
 
 
! psi
! 41-42 : 
assign (resid  41 and name n  ) (resid  41 and name ca  )
(resid 41 and name c ) (resid 42 and name n ) 1 118.750 15.96 2
 
 
! phi 
! 41-42 : 
assign (resid  41 and name c  ) (resid  42 and name n  )
(resid  42 and name ca  ) (resid  42 and name c  ) 1 -122.730 14.52 2
 
 
! psi
! 42-43 : 
assign (resid  42 and name n  ) (resid  42 and name ca  )
(resid 42 and name c ) (resid 43 and name n ) 1 146.550 17.85 2
 
 
! phi 
! 42-43 : 
assign (resid  42 and name c  ) (resid  43 and name n  )
(resid  43 and name ca  ) (resid  43 and name c  ) 1 -113.230 18.63 2
 
 
! psi
! 43-44 : 
assign (resid  43 and name n  ) (resid  43 and name ca  )
(resid 43 and name c ) (resid 44 and name n ) 1 130.940 12.0 2
 
 
! phi 
! 43-44 : 
assign (resid  43 and name c  ) (resid  44 and name n  )
(resid  44 and name ca  ) (resid  44 and name c  ) 1 -108.300 24.96 2
 
 
! psi
! 44-45 : 
assign (resid  44 and name n  ) (resid  44 and name ca  )
(resid 44 and name c ) (resid 45 and name n ) 1 146.460 27.9 2
 
 
! phi 
! 44-45 : 
assign (resid  44 and name c  ) (resid  45 and name n  )
(resid  45 and name ca  ) (resid  45 and name c  ) 1 -61.980 16.06 2
 
 
! psi
! 45-46 : 
assign (resid  45 and name n  ) (resid  45 and name ca  )
(resid 45 and name c ) (resid 46 and name n ) 1 -17.330 26.98 2
 
 
! phi 
! 45-46 : 
assign (resid  45 and name c  ) (resid  46 and name n  )
(resid  46 and name ca  ) (resid  46 and name c  ) 1 -96.930 12.86 2
 
 
! psi
! 46-47 : 
assign (resid  46 and name n  ) (resid  46 and name ca  )
(resid 46 and name c ) (resid 47 and name n ) 1 5.970 13.21 2
 
 
! phi 
! 47-48 : 
assign (resid  47 and name c  ) (resid  48 and name n  )
(resid  48 and name ca  ) (resid  48 and name c  ) 1 -92.150 25.31 2
 
 
! psi
! 48-49 : 
assign (resid  48 and name n  ) (resid  48 and name ca  )
(resid 48 and name c ) (resid 49 and name n ) 1 126.330 10.79 2
 
 
! phi 
! 48-49 : 
assign (resid  48 and name c  ) (resid  49 and name n  )
(resid  49 and name ca  ) (resid  49 and name c  ) 1 -117.050 21.41 2
 
 
! psi
! 49-50 : 
assign (resid  49 and name n  ) (resid  49 and name ca  )
(resid 49 and name c ) (resid 50 and name n ) 1 145.060 18.51 2
 
 
! phi 
! 50-51 : 
assign (resid  50 and name c  ) (resid  51 and name n  )
(resid  51 and name ca  ) (resid  51 and name c  ) 1 -106.520 32.6 2
 
 
! psi
! 51-52 : 
assign (resid  51 and name n  ) (resid  51 and name ca  )
(resid 51 and name c ) (resid 52 and name n ) 1 134.860 27.62 2
 
 
! phi 
! 51-52 : 
assign (resid  51 and name c  ) (resid  52 and name n  )
(resid  52 and name ca  ) (resid  52 and name c  ) 1 -122.590 29.88 2
 
 
! psi
! 52-53 : 
assign (resid  52 and name n  ) (resid  52 and name ca  )
(resid 52 and name c ) (resid 53 and name n ) 1 132.640 41.8 2
 
 
! phi 
! 53-54 : 
assign (resid  53 and name c  ) (resid  54 and name n  )
(resid  54 and name ca  ) (resid  54 and name c  ) 1 -64.690 24.06 2
 
 
! psi
! 54-55 : 
assign (resid  54 and name n  ) (resid  54 and name ca  )
(resid 54 and name c ) (resid 55 and name n ) 1 -31.550 19.9 2
 
 
! phi 
! 54-55 : 
assign (resid  54 and name c  ) (resid  55 and name n  )
(resid  55 and name ca  ) (resid  55 and name c  ) 1 -69.710 25.46 2
 
 
! psi
! 55-56 : 
assign (resid  55 and name n  ) (resid  55 and name ca  )
(resid 55 and name c ) (resid 56 and name n ) 1 -23.710 36.08 2
 
 
! phi 
! 56-57 : 
assign (resid  56 and name c  ) (resid  57 and name n  )
(resid  57 and name ca  ) (resid  57 and name c  ) 1 -133.600 15.01 2
 
 
! psi
! 57-58 : 
assign (resid  57 and name n  ) (resid  57 and name ca  )
(resid 57 and name c ) (resid 58 and name n ) 1 158.940 17.44 2
 
 
! phi 
! 57-58 : 
assign (resid  57 and name c  ) (resid  58 and name n  )
(resid  58 and name ca  ) (resid  58 and name c  ) 1 -118.960 20.47 2
 
 
! psi
! 58-59 : 
assign (resid  58 and name n  ) (resid  58 and name ca  )
(resid 58 and name c ) (resid 59 and name n ) 1 137.210 23.52 2
 
 
! phi 
! 58-59 : 
assign (resid  58 and name c  ) (resid  59 and name n  )
(resid  59 and name ca  ) (resid  59 and name c  ) 1 -79.700 13.82 2
 
 
! psi
! 59-60 : 
assign (resid  59 and name n  ) (resid  59 and name ca  )
(resid 59 and name c ) (resid 60 and name n ) 1 131.390 14.14 2
 
 
! phi 
! 59-60 : 
assign (resid  59 and name c  ) (resid  60 and name n  )
(resid  60 and name ca  ) (resid  60 and name c  ) 1 -97.790 81.46 2
 
 
! psi
! 60-61 : 
assign (resid  60 and name n  ) (resid  60 and name ca  )
(resid 60 and name c ) (resid 61 and name n ) 1 131.470 31.28 2
 
SH3_3_NOE.tbl0000664000076400007640000021033510320422264013036 0ustar  dudududu00000000000000assign (resid 2 and name HB1) (resid 2 and name HA) 3.800 2.0 0.0 !   cnewnoeassignfinal1.13
assign (resid 2 and name HB2) (resid 2 and name HA) 3.800 2.0 0.0 !   cnewnoeassignfinal1.16
assign (resid 2 and name HB1) (resid 4 and name HG1#) 5.000 3.2 0.0 !   cnewnoeassignfinal1.14
assign (resid 2 and name HB1) (resid 4 and name HG2#) 5.000 3.2 0.0 !   cnewnoeassignfinal1.15
assign (resid 4 and name HA) (resid 4 and name HB) 3.800 2.0 0.0 !   cnewnoeassignfinal1.34
assign (resid 4 and name HA) (resid 4 and name HG1#) 3.800 2.0 0.0 !   cnewnoeassignfinal1.35
assign (resid 4 and name HA) (resid 4 and name HG2#) 3.800 2.0 0.0 !   cnewnoeassignfinal1.36
assign (resid 4 and name HB) (resid 4 and name HG2#) 3.800 2.0 0.0 !   cnewnoeassignfinal1.262
assign (resid 5 and name HA) (resid 5 and name HB) 3.200 1.4 0.0 !   cnewnoeassignfinal1.93
assign (resid 5 and name HA) (resid 5 and name HG1#) 5.000 3.2 0.0 !   cnewnoeassignfinal1.98
assign (resid 5 and name HB) (resid 5 and name HG1#) 3.800 2.0 0.0 !   cnewnoeassignfinal1.252
assign (resid 5 and name HA) (resid 5 and name HG2#) 3.800 2.0 0.0 !   cnewnoeassignfinal1.97
assign (resid 5 and name HB) (resid 5 and name HG2#) 3.800 2.0 0.0 !   cnewnoeassignfinal1.240
assign (resid 5 and name HG1#) (resid 5 and name HG2#) 3.800 2.0 0.0 !   cnewnoeassignfinal1.489
assign (resid 5 and name HA) (resid 6 and name HB2) 5.000 3.2 0.0 !   cnewnoeassignfinal1.94
assign (resid 6 and name HA) (resid 6 and name HG1) 3.800 2.0 0.0 !   cnewnoeassignfinal1.164
assign (resid 6 and name HB2) (resid 6 and name HG1) 3.200 1.4 0.0 !   cnewnoeassignfinal1.276

assign (resid 7 and name HA) (resid 8 and name HB2) 5.500 3.7 0.0 !   cnewnoeassignfinal1.46

assign (resid 7 and name HB) (resid 8 and name HB2) 5.600 3.8 0.0 !   cnewnoeassignfinal1.0

assign (resid 7 and name HA) (resid 8 and name HG) 5.600 3.8 0.0 !   cnewnoeassignfinal1.52

assign (resid 8 and name HB1) (resid 8 and name HA) 5.000 3.2 0.0 !   cnewnoeassignfinal1.183
assign (resid 8 and name HA) (resid 8 and name HB2) 3.800 2.0 0.0 !   cnewnoeassignfinal1.127
assign (resid 8 and name HA) (resid 8 and name HD1#) 4.200 2.4 0.0 !   cnewnoeassignfinal1.126
assign (resid 8 and name HG) (resid 8 and name HA) 5.000 3.2 0.0 !   cnewnoeassignfinal1.370
assign (resid 8 and name HB1) (resid 8 and name HG) 5.000 3.2 0.0 !   cnewnoeassignfinal1.184
assign (resid 8 and name HB2) (resid 8 and name HG) 5.000 3.2 0.0 !   cnewnoeassignfinal1.186
assign (resid 8 and name HG) (resid 8 and name HD1#) 3.800 2.0 0.0 !   cnewnoeassignfinal1.368
assign (resid 9 and name HA) (resid 9 and name HB2) 5.000 3.2 0.0 !   cnewnoeassignfinal1.162
assign (resid 11 and name HA) (resid 11 and name HB1) 3.800 2.0 0.0 !   cnewnoeassignfinal1.79
assign (resid 12 and name HB1) (resid 12 and name HA) 3.200 1.4 0.0 !   cnewnoeassignfinal1.11
assign (resid 12 and name HB2) (resid 12 and name HA) 3.800 2.0 0.0 !   cnewnoeassignfinal1.12
assign (resid 13 and name HA) (resid 13 and name HB1) 3.200 1.4 0.0 !   cnewnoeassignfinal1.103
assign (resid 13 and name HA) (resid 14 and name HG1#) 6.300 4.5 0.0 !   cnewnoeassignfinal1.105
assign (resid 13 and name HB1) (resid 14 and name HG1#) 6.900 5.1 0.0 !   cnewnoeassignfinal1.8
assign (resid 14 and name HA) (resid 14 and name HB) 3.200 1.4 0.0 !   cnewnoeassignfinal1.30
assign (resid 14 and name HA) (resid 14 and name HG1#) 3.600 1.8 0.0 !   cnewnoeassignfinal1.31
assign (resid 14 and name HB) (resid 14 and name HG1#) 3.200 1.4 0.0 !   cnewnoeassignfinal1.298
assign (resid 14 and name HA) (resid 15 and name HA) 5.000 3.2 0.0 !   cnewnoeassignfinal1.32
assign (resid 17 and name HA) (resid 17 and name HB2) 3.800 2.0 0.0 !   cnewnoeassignfinal1.86
assign (resid 17 and name HA) (resid 17 and name HG2) 3.800 2.0 0.0 !   cnewnoeassignfinal1.85
assign (resid 13 and name HA) (resid 18 and name HB1) 5.500 3.7 0.0 !   cnewnoeassignfinal1.104
assign (resid 13 and name HB1) (resid 18 and name HB1) 3.800 2.0 0.0 !   cnewnoeassignfinal1.6
assign (resid 13 and name HA) (resid 18 and name HB2) 6.900 5.1 0.0 !   cnewnoeassignfinal1.106
assign (resid 13 and name HB1) (resid 18 and name HB2) 5.000 3.2 0.0 !   cnewnoeassignfinal1.5
assign (resid 13 and name HB1) (resid 18 and name HG1) 5.000 3.2 0.0 !   cnewnoeassignfinal1.7
assign (resid 18 and name HA) (resid 18 and name HB1) 5.000 3.2 0.0 !   cnewnoeassignfinal1.134
assign (resid 18 and name HA) (resid 18 and name HB2) 3.800 2.0 0.0 !   cnewnoeassignfinal1.133
assign (resid 18 and name HA) (resid 18 and name HG1) 3.800 2.0 0.0 !   cnewnoeassignfinal1.135
assign (resid 18 and name HB1) (resid 18 and name HG1) 3.800 2.0 0.0 !   cnewnoeassignfinal1.316
assign (resid 18 and name HA) (resid 18 and name HG2) 5.000 3.2 0.0 !   cnewnoeassignfinal1.136
assign (resid 18 and name HG2) (resid 18 and name HB1) 5.000 3.2 0.0 !   cnewnoeassignfinal1.244
assign (resid 18 and name HG2) (resid 18 and name HB2) 5.000 3.2 0.0 !   cnewnoeassignfinal1.243
assign (resid 18 and name HA) (resid 19 and name HD1#) 5.000 3.2 0.0 !   cnewnoeassignfinal1.139
assign (resid 18 and name HB1) (resid 19 and name HD1#) 5.800 4.0 0.0 !   cnewnoeassignfinal1.313
assign (resid 18 and name HB2) (resid 19 and name HD1#) 6.200 4.4 0.0 !   cnewnoeassignfinal1.310
assign (resid 19 and name HA) (resid 19 and name HD1#) 4.400 2.6 0.0 !   cnewnoeassignfinal1.152
assign (resid 19 and name HD1#) (resid 19 and name HB1) 3.800 2.0 0.0 !   cnewnoeassignfinal1.422
assign (resid 19 and name HA) (resid 19 and name HD2#) 5.000 3.2 0.0 !   cnewnoeassignfinal1.151
assign (resid 19 and name HD2#) (resid 19 and name HB1) 3.800 2.0 0.0 !   cnewnoeassignfinal1.391
assign (resid 19 and name HA) (resid 19 and name HG) 5.000 3.2 0.0 !   cnewnoeassignfinal1.150
assign (resid 19 and name HG) (resid 19 and name HD1#) 3.800 2.0 0.0 !   cnewnoeassignfinal1.357
assign (resid 19 and name HD2#) (resid 19 and name HG) 3.800 2.0 0.0 !   cnewnoeassignfinal1.393
assign (resid 12 and name HA) (resid 20 and name HA) 5.800 4.0 0.0 !   cnewnoeassignfinal1.122
assign (resid 12 and name HA) (resid 20 and name HB1) 5.000 3.2 0.0 !   cnewnoeassignfinal1.121
assign (resid 20 and name HA) (resid 13 and name HB2) 5.000 3.2 0.0 !   cnewnoeassignfinal1.165
assign (resid 20 and name HA) (resid 20 and name HB1) 3.200 1.4 0.0 !   cnewnoeassignfinal1.167
assign (resid 21 and name HA) (resid 21 and name HB2) 3.200 1.4 0.0 !   cnewnoeassignfinal1.117
assign (resid 22 and name HA) (resid 22 and name HB2) 3.800 2.0 0.0 !   cnewnoeassignfinal1.157
assign (resid 22 and name HA) (resid 22 and name HG1) 3.800 2.0 0.0 !   cnewnoeassignfinal1.156
assign (resid 22 and name HG2) (resid 22 and name HA) 5.000 3.2 0.0 !   cnewnoeassignfinal1.236
assign (resid 22 and name HG2) (resid 22 and name HB2) 3.200 1.4 0.0 !   cnewnoeassignfinal1.237
assign (resid 23 and name HA) (resid 23 and name HB1) 3.800 2.0 0.0 !   cnewnoeassignfinal1.82
assign (resid 23 and name HA) (resid 23 and name HB2) 3.800 2.0 0.0 !   cnewnoeassignfinal1.81
assign (resid 23 and name HA) (resid 23 and name HD1) 4.400 2.6 0.0 !   cnewnoeassignfinal1.67
assign (resid 23 and name HB2) (resid 23 and name HD1) 3.800 2.0 0.0 !   cnewnoeassignfinal1.279
assign (resid 23 and name HA) (resid 23 and name HD2) 4.600 2.8 0.0 !   cnewnoeassignfinal1.80
assign (resid 23 and name HB1) (resid 23 and name HD2) 5.000 3.2 0.0 !   cnewnoeassignfinal1.281
assign (resid 23 and name HB2) (resid 23 and name HD2) 5.000 3.2 0.0 !   cnewnoeassignfinal1.277
assign (resid 25 and name HA) (resid 25 and name HB1) 3.200 1.4 0.0 !   cnewnoeassignfinal1.101
assign (resid 25 and name HA) (resid 25 and name HB2) 3.800 2.0 0.0 !   cnewnoeassignfinal1.102
assign (resid 25 and name HA) (resid 25 and name HG1) 3.800 2.0 0.0 !   cnewnoeassignfinal1.99
assign (resid 25 and name HG1) (resid 25 and name HB2) 3.800 2.0 0.0 !   cnewnoeassignfinal1.229
assign (resid 25 and name HA) (resid 25 and name HG2) 3.500 1.7 0.0 !   cnewnoeassignfinal1.100
assign (resid 26 and name HA) (resid 6 and name HA) 3.200 1.4 0.0 !   cnewnoeassignfinal1.37
assign (resid 26 and name HA) (resid 6 and name HB2) 5.000 3.2 0.0 !   cnewnoeassignfinal1.40
assign (resid 26 and name HA) (resid 6 and name HG1) 5.000 3.2 0.0 !   cnewnoeassignfinal1.39
assign (resid 26 and name HA) (resid 23 and name HD1) 6.500 4.7 0.0 !   cnewnoeassignfinal1.41
assign (resid 26 and name HB) (resid 23 and name HD1) 7.300 5.5 0.0 !   cnewnoeassignfinal1.2
assign (resid 26 and name HB) (resid 26 and name HA) 3.800 2.0 0.0 !   cnewnoeassignfinal1.1
assign (resid 4 and name HA) (resid 28 and name HA) 3.200 1.4 0.0 !   cnewnoeassignfinal1.33
assign (resid 28 and name HA) (resid 4 and name HG1#) 5.000 3.2 0.0 !   cnewnoeassignfinal1.148
assign (resid 28 and name HA) (resid 4 and name HG2#) 5.300 3.5 0.0 !   cnewnoeassignfinal1.145
assign (resid 28 and name HA) (resid 5 and name HB) 4.100 2.3 0.4 !   cnewnoeassignfinal1.147
assign (resid 28 and name HA) (resid 5 and name HG1#) 5.000 3.2 0.0 !   cnewnoeassignfinal1.154
assign (resid 28 and name HB1) (resid 5 and name HG1#) 5.000 3.2 0.0 !   cnewnoeassignfinal1.291
assign (resid 28 and name HB2) (resid 5 and name HG1#) 5.000 3.2 0.0 !   cnewnoeassignfinal1.290
assign (resid 28 and name HA) (resid 28 and name HB2) 3.800 2.0 0.0 !   cnewnoeassignfinal1.155
assign (resid 29 and name HA) (resid 5 and name HG1#) 5.000 3.2 0.0 !   cnewnoeassignfinal1.28
assign (resid 5 and name HG2#) (resid 29 and name HB) 5.000 3.2 0.0 !   cnewnoeassignfinal1.431
assign (resid 5 and name HG2#) (resid 29 and name HG1#) 6.800 5.0 0.0 !   cnewnoeassignfinal1.433
assign (resid 29 and name HG2#) (resid 5 and name HB) 5.000 3.2 0.0 !   cnewnoeassignfinal1.421

assign (resid 28 and name HA) (resid 29 and name HN) 3.200 1.4 0.0
assign (resid 28 and name HA) (resid 29 and name HN) 3.200 1.4 0.0

assign (resid 28 and name HB2) (resid 29 and name HG1#) 7.700 5.9 0.0 !   cnewnoeassignfinal1.286
assign (resid 28 and name HA) (resid 29 and name HG2#) 5.000 3.2 0.0 !   cnewnoeassignfinal1.149
assign (resid 29 and name HA) (resid 29 and name HB) 5.000 3.2 0.0 !   cnewnoeassignfinal1.25
assign (resid 29 and name HA) (resid 29 and name HG1#) 3.800 2.0 0.0 !   cnewnoeassignfinal1.29
assign (resid 29 and name HB) (resid 29 and name HG1#) 3.800 2.0 0.0 !   cnewnoeassignfinal1.302
assign (resid 29 and name HA) (resid 29 and name HG2#) 3.800 2.0 0.0 !   cnewnoeassignfinal1.26
assign (resid 29 and name HB) (resid 29 and name HG2#) 3.800 2.0 0.0 !   cnewnoeassignfinal1.301
assign (resid 29 and name HG1#) (resid 29 and name HG2#) 3.800 2.0 0.0 !   cnewnoeassignfinal1.480
assign (resid 30 and name HG12) (resid 29 and name HA) 5.000 3.2 0.0 !   cnewnoeassignfinal1.373
assign (resid 30 and name HA) (resid 30 and name HB) 3.800 2.0 0.0 !   cnewnoeassignfinal1.48
assign (resid 30 and name HA) (resid 30 and name HD1#) 4.600 2.8 0.0 !   cnewnoeassignfinal1.51
assign (resid 30 and name HB) (resid 30 and name HD1#) 5.000 3.2 0.0 !   cnewnoeassignfinal1.221
assign (resid 30 and name HA) (resid 30 and name HG11) 5.000 3.2 0.0 !   cnewnoeassignfinal1.49
assign (resid 30 and name HB) (resid 30 and name HG11) 3.800 2.0 0.0 !   cnewnoeassignfinal1.223
assign (resid 30 and name HG11) (resid 30 and name HD1#) 5.000 3.2 0.0 !   cnewnoeassignfinal1.367
assign (resid 30 and name HB) (resid 30 and name HG12) 5.000 3.2 0.0 !   cnewnoeassignfinal1.220
assign (resid 30 and name HG12) (resid 30 and name HD1#) 5.000 3.2 0.0 !   cnewnoeassignfinal1.375
assign (resid 30 and name HA) (resid 30 and name HG2#) 3.800 2.0 0.0 !   cnewnoeassignfinal1.50
assign (resid 30 and name HB) (resid 30 and name HG2#) 3.800 2.0 0.0 !   cnewnoeassignfinal1.224
assign (resid 30 and name HG2#) (resid 30 and name HG11) 3.800 2.0 0.0 !   cnewnoeassignfinal1.499
assign (resid 30 and name HG12) (resid 30 and name HG2#) 5.000 3.2 0.0 !   cnewnoeassignfinal1.371
assign (resid 30 and name HB) (resid 31 and name HB1) 5.300 3.5 0.0 !   cnewnoeassignfinal1.219
assign (resid 30 and name HG11) (resid 31 and name HB1) 5.000 3.2 0.0 !   cnewnoeassignfinal1.366
assign (resid 29 and name HG1#) (resid 32 and name HE1) 5.000 3.2 0.0 !   cnewnoeassignfinal1.477
assign (resid 29 and name HG1#) (resid 32 and name HE2) 5.000 3.2 0.0 !   cnewnoeassignfinal1.479
assign (resid 29 and name HG1#) (resid 32 and name HG2) 6.500 4.7 0.0 !   cnewnoeassignfinal1.481
assign (resid 32 and name HA) (resid 32 and name HB1) 3.800 2.0 0.0 !   cnewnoeassignfinal1.159
assign (resid 32 and name HD1) (resid 32 and name HB1) 3.800 2.0 0.0 !   cnewnoeassignfinal1.329
assign (resid 32 and name HB1) (resid 32 and name HD2) 5.000 3.2 0.0 !   cnewnoeassignfinal1.304
assign (resid 32 and name HE1) (resid 32 and name HD1) 5.000 3.2 0.0 !   cnewnoeassignfinal1.202
assign (resid 32 and name HE1) (resid 32 and name HD2) 5.000 3.2 0.0 !   cnewnoeassignfinal1.205
assign (resid 32 and name HB1) (resid 32 and name HG1) 5.000 3.2 0.0 !   cnewnoeassignfinal1.305
assign (resid 32 and name HD1) (resid 32 and name HG1) 5.000 3.2 0.0 !   cnewnoeassignfinal1.330
assign (resid 32 and name HD2) (resid 32 and name HG1) 5.000 3.2 0.0 !   cnewnoeassignfinal1.333
assign (resid 32 and name HE1) (resid 32 and name HG1) 5.000 3.2 0.0 !   cnewnoeassignfinal1.203
assign (resid 32 and name HA) (resid 32 and name HG2) 5.000 3.2 0.0 !   cnewnoeassignfinal1.160
assign (resid 32 and name HB1) (resid 32 and name HG2) 5.000 3.2 0.0 !   cnewnoeassignfinal1.306
assign (resid 32 and name HD2) (resid 32 and name HG2) 5.000 3.2 0.0 !   cnewnoeassignfinal1.332
assign (resid 33 and name HG1) (resid 29 and name HG1#) 6.000 4.2 0.0 !   cnewnoeassignfinal1.204
assign (resid 34 and name HA) (resid 34 and name HB1) 3.200 1.4 0.0 !   cnewnoeassignfinal1.66
assign (resid 34 and name HA) (resid 34 and name HG1) 3.800 2.0 0.0 !   cnewnoeassignfinal1.65
assign (resid 36 and name HA) (resid 36 and name HB1) 3.800 2.0 0.0 !   cnewnoeassignfinal1.168
assign (resid 36 and name HA) (resid 36 and name HB2) 3.800 2.0 0.0 !   cnewnoeassignfinal1.169
assign (resid 38 and name HA) (resid 38 and name HB1) 3.200 1.4 0.0 !   cnewnoeassignfinal1.109
assign (resid 38 and name HA) (resid 38 and name HB2) 3.800 2.0 0.0 !   cnewnoeassignfinal1.108
assign (resid 38 and name HA) (resid 38 and name HG1) 5.000 3.2 0.0 !   cnewnoeassignfinal1.107
assign (resid 38 and name HG1) (resid 38 and name HB1) 3.200 1.4 0.0 !   cnewnoeassignfinal1.235
assign (resid 39 and name HA) (resid 39 and name HB1) 3.800 2.0 0.0 !   cnewnoeassignfinal1.119
assign (resid 39 and name HA) (resid 39 and name HB2) 3.800 2.0 0.0 !   cnewnoeassignfinal1.120
assign (resid 40 and name HB1) (resid 29 and name HG1#) 5.000 3.2 1.6 !   cnewnoeassignfinal1.288
assign (resid 29 and name HB) (resid 40 and name HB2) 6.200 4.4 0.0 !   cnewnoeassignfinal1.300
assign (resid 40 and name HB2) (resid 29 and name HG1#) 5.000 3.2 0.0 !   cnewnoeassignfinal1.294
assign (resid 40 and name HB2) (resid 29 and name HG2#) 5.000 3.2 0.0 !   cnewnoeassignfinal1.293
assign (resid 40 and name HA) (resid 40 and name HB1) 3.800 2.0 0.0 !   cnewnoeassignfinal1.158
assign (resid 40 and name HA) (resid 40 and name HB2) 5.000 3.2 0.0 !   cnewnoeassignfinal1.161
assign (resid 41 and name HA) (resid 30 and name HG11) 5.900 4.1 0.0 !   cnewnoeassignfinal1.111
assign (resid 41 and name HD2) (resid 30 and name HG11) 5.000 3.2 0.0 !   cnewnoeassignfinal1.342
assign (resid 41 and name HD2) (resid 30 and name HG2#) 5.000 3.2 0.0 !   cnewnoeassignfinal1.347
assign (resid 41 and name HG1) (resid 30 and name HB) 5.000 3.2 1.6 !   cnewnoeassignfinal1.379
assign (resid 41 and name HG1) (resid 30 and name HD1#) 5.000 3.2 0.0 !   cnewnoeassignfinal1.394
assign (resid 41 and name HG2) (resid 30 and name HD1#) 5.400 3.6 0.0 !   cnewnoeassignfinal1.387
assign (resid 41 and name HD2) (resid 31 and name HB1) 7.400 5.6 0.0 !   cnewnoeassignfinal1.346
assign (resid 41 and name HA) (resid 41 and name HB1) 3.800 2.0 0.0 !   cnewnoeassignfinal1.114
assign (resid 41 and name HA) (resid 41 and name HB2) 3.800 2.0 0.0 !   cnewnoeassignfinal1.110
assign (resid 41 and name HD1) (resid 41 and name HB1) 5.000 3.2 0.0 !   cnewnoeassignfinal1.339
assign (resid 41 and name HG1) (resid 41 and name HA) 5.000 3.2 0.0 !   cnewnoeassignfinal1.376
assign (resid 41 and name HB1) (resid 41 and name HG1) 5.000 3.2 0.0 !   cnewnoeassignfinal1.267
assign (resid 41 and name HB2) (resid 41 and name HG1) 5.000 3.2 0.0 !   cnewnoeassignfinal1.271
assign (resid 41 and name HG1) (resid 41 and name HD2) 3.800 2.0 0.0 !   cnewnoeassignfinal1.381
assign (resid 41 and name HG1) (resid 41 and name HE1) 5.000 3.2 0.0 !   cnewnoeassignfinal1.377
assign (resid 41 and name HA) (resid 41 and name HG2) 4.100 2.3 0.0 !   cnewnoeassignfinal1.115
assign (resid 41 and name HB1) (resid 41 and name HG2) 5.000 3.2 0.0 !   cnewnoeassignfinal1.268
assign (resid 41 and name HB2) (resid 41 and name HG2) 5.000 3.2 0.0 !   cnewnoeassignfinal1.272
assign (resid 41 and name HD1) (resid 41 and name HG2) 3.200 1.4 0.0 !   cnewnoeassignfinal1.335
assign (resid 41 and name HD2) (resid 41 and name HG2) 5.000 3.2 0.0 !   cnewnoeassignfinal1.341
assign (resid 42 and name HB1) (resid 28 and name HB1) 5.300 3.5 0.0 !   cnewnoeassignfinal1.257
assign (resid 42 and name HB1) (resid 28 and name HB2) 5.000 3.2 0.0 !   cnewnoeassignfinal1.256
assign (resid 29 and name HA) (resid 42 and name HA) 3.200 1.4 0.0 !   cnewnoeassignfinal1.27
assign (resid 42 and name HA) (resid 29 and name HB) 5.700 3.9 0.0 !   cnewnoeassignfinal1.89
assign (resid 29 and name HA) (resid 42 and name HB1) 5.000 3.2 0.0 !   cnewnoeassignfinal1.24
assign (resid 29 and name HG2#) (resid 42 and name HB1) 5.000 3.2 0.0 !   cnewnoeassignfinal1.418
assign (resid 42 and name HA) (resid 30 and name HD1#) 5.000 3.2 0.0 !   cnewnoeassignfinal1.91
assign (resid 42 and name HA) (resid 30 and name HG11) 5.000 3.2 0.0 !   cnewnoeassignfinal1.84
assign (resid 30 and name HG12) (resid 42 and name HA) 5.000 3.2 0.0 !   cnewnoeassignfinal1.372
assign (resid 30 and name HG2#) (resid 42 and name HA) 5.300 3.5 0.0 !   cnewnoeassignfinal1.496
assign (resid 42 and name HB1) (resid 30 and name HD1#) 5.000 3.2 0.0 !   cnewnoeassignfinal1.259
assign (resid 42 and name HA) (resid 41 and name HG2) 6.000 4.2 0.0 !   cnewnoeassignfinal1.90
assign (resid 42 and name HA) (resid 42 and name HB1) 3.200 1.4 0.0 !   cnewnoeassignfinal1.88
assign (resid 44 and name HA) (resid 19 and name HD2#) 7.400 5.6 0.0 !   cnewnoeassignfinal1.170
assign (resid 44 and name HB1) (resid 19 and name HD2#) 5.000 3.2 0.0 !   cnewnoeassignfinal1.216
assign (resid 19 and name HD2#) (resid 44 and name HB2) 5.000 3.2 0.0 !   cnewnoeassignfinal1.389
assign (resid 44 and name HA) (resid 44 and name HB1) 3.200 1.4 0.0 !   cnewnoeassignfinal1.173
assign (resid 44 and name HA) (resid 44 and name HB2) 3.200 1.4 0.0 !   cnewnoeassignfinal1.174
assign (resid 44 and name HA) (resid 45 and name HB#) 5.000 3.2 0.0 !   cnewnoeassignfinal1.172
assign (resid 44 and name HB1) (resid 45 and name HB#) 5.500 3.7 0.0 !   cnewnoeassignfinal1.215
assign (resid 45 and name HA) (resid 45 and name HB#) 3.200 1.4 0.0 !   cnewnoeassignfinal1.153
assign (resid 19 and name HD2#) (resid 46 and name HB1) 5.000 3.2 0.0 !   cnewnoeassignfinal1.392
assign (resid 19 and name HD2#) (resid 46 and name HB2) 6.500 4.7 0.0 !   cnewnoeassignfinal1.400
assign (resid 19 and name HD2#) (resid 46 and name HG2) 5.000 3.2 0.0 !   cnewnoeassignfinal1.390
assign (resid 21 and name HA) (resid 46 and name HD2) 4.200 2.4 0.0 !   cnewnoeassignfinal1.116
assign (resid 21 and name HA) (resid 46 and name HG2) 5.600 3.8 0.0 !   cnewnoeassignfinal1.118
assign (resid 21 and name HB2) (resid 46 and name HG2) 4.800 3.0 0.0 !   cnewnoeassignfinal1.207
assign (resid 44 and name HA) (resid 46 and name HG2) 6.800 5.0 0.0 !   cnewnoeassignfinal1.171
assign (resid 44 and name HB1) (resid 46 and name HG2) 5.000 3.2 0.0 !   cnewnoeassignfinal1.212
assign (resid 44 and name HB2) (resid 46 and name HG2) 5.000 3.2 0.0 !   cnewnoeassignfinal1.214
assign (resid 45 and name HB#) (resid 46 and name HA) 5.000 3.2 0.0 !   cnewnoeassignfinal1.490
assign (resid 46 and name HB1) (resid 46 and name HA) 3.800 2.0 0.0 !   cnewnoeassignfinal1.325
assign (resid 46 and name HB2) (resid 46 and name HA) 3.800 2.0 0.0 !   cnewnoeassignfinal1.322
assign (resid 46 and name HD1) (resid 46 and name HB1) 5.000 3.2 0.0 !   cnewnoeassignfinal1.197
assign (resid 46 and name HD1) (resid 46 and name HB2) 5.000 3.2 0.0 !   cnewnoeassignfinal1.196
assign (resid 46 and name HD2) (resid 46 and name HB1) 5.000 3.2 0.0 !   cnewnoeassignfinal1.194
assign (resid 46 and name HD2) (resid 46 and name HB2) 5.000 3.2 0.0 !   cnewnoeassignfinal1.193
assign (resid 46 and name HG2) (resid 46 and name HA) 3.600 1.8 0.0 !   cnewnoeassignfinal1.349
assign (resid 46 and name HG2) (resid 46 and name HB1) 3.200 1.4 0.0 !   cnewnoeassignfinal1.353
assign (resid 46 and name HG2) (resid 46 and name HB2) 3.200 1.4 0.0 !   cnewnoeassignfinal1.352
assign (resid 46 and name HD1) (resid 46 and name HG2) 3.200 1.4 0.0 !   cnewnoeassignfinal1.195
assign (resid 46 and name HD2) (resid 46 and name HG2) 3.200 1.4 0.0 !   cnewnoeassignfinal1.192
assign (resid 48 and name HA) (resid 19 and name HD1#) 5.900 4.1 0.0 !   cnewnoeassignfinal1.132
assign (resid 19 and name HD1#) (resid 48 and name HB2) 5.000 3.2 0.0 !   cnewnoeassignfinal1.420
assign (resid 19 and name HD1#) (resid 48 and name HG1) 5.000 3.2 0.0 !   cnewnoeassignfinal1.419
assign (resid 48 and name HA) (resid 48 and name HB2) 3.800 2.0 0.0 !   cnewnoeassignfinal1.125
assign (resid 41 and name HD1) (resid 49 and name HG1#) 5.000 3.2 0.0 !   cnewnoeassignfinal1.336
assign (resid 49 and name HG2#) (resid 41 and name HA) 4.200 2.4 0.8 !   cnewnoeassignfinal1.473
assign (resid 49 and name HG2#) (resid 41 and name HD1) 5.000 3.2 0.0 !   cnewnoeassignfinal1.462
assign (resid 41 and name HG1) (resid 49 and name HG2#) 6.000 4.2 0.0 !   cnewnoeassignfinal1.382
assign (resid 41 and name HG2) (resid 49 and name HG2#) 5.000 3.2 0.0 !   cnewnoeassignfinal1.386
assign (resid 48 and name HA) (resid 49 and name HG1#) 5.000 3.2 0.0 !   cnewnoeassignfinal1.131
assign (resid 49 and name HB) (resid 49 and name HG1#) 3.800 2.0 0.0 !   cnewnoeassignfinal1.264
assign (resid 49 and name HB) (resid 49 and name HG2#) 3.800 2.0 0.0 !   cnewnoeassignfinal1.265
assign (resid 50 and name HA1) (resid 19 and name HD1#) 5.000 3.2 1.6 !   cnewnoeassignfinal1.178
assign (resid 50 and name HA1) (resid 19 and name HG) 4.400 2.6 0.0 !   cnewnoeassignfinal1.181
assign (resid 50 and name HA2) (resid 19 and name HD1#) 5.000 3.2 0.0 !   cnewnoeassignfinal1.177
assign (resid 50 and name HA2) (resid 19 and name HG) 5.000 3.2 0.0 !   cnewnoeassignfinal1.175
assign (resid 49 and name HG2#) (resid 50 and name HA1) 5.000 3.2 0.0 !   cnewnoeassignfinal1.460
assign (resid 50 and name HA2) (resid 49 and name HG2#) 5.000 3.2 0.0 !   cnewnoeassignfinal1.176
assign (resid 51 and name HD1#) (resid 17 and name HG2) 6.200 4.4 0.0 !   cnewnoeassignfinal1.449
assign (resid 51 and name HD2#) (resid 17 and name HG2) 5.000 3.2 0.0 !   cnewnoeassignfinal1.412
assign (resid 18 and name HA) (resid 51 and name HB1) 3.800 2.0 0.4 !   cnewnoeassignfinal1.138
assign (resid 51 and name HB1) (resid 18 and name HG1) 5.000 3.2 0.0 !   cnewnoeassignfinal1.188
assign (resid 51 and name HB1) (resid 18 and name HG2) 5.000 3.2 0.0 !   cnewnoeassignfinal1.190
assign (resid 51 and name HD2#) (resid 18 and name HA) 5.000 3.2 0.0 !   cnewnoeassignfinal1.408
assign (resid 18 and name HA) (resid 51 and name HG) 5.400 3.6 0.0 !   cnewnoeassignfinal1.137
assign (resid 51 and name HB1) (resid 39 and name HB1) 5.000 3.2 0.0 !   cnewnoeassignfinal1.187
assign (resid 39 and name HB1) (resid 51 and name HD1#) 5.000 3.2 0.0 !   cnewnoeassignfinal1.287
assign (resid 39 and name HB2) (resid 51 and name HD1#) 5.000 3.2 0.0 !   cnewnoeassignfinal1.285
assign (resid 51 and name HD2#) (resid 39 and name HB1) 5.000 3.2 0.0 !   cnewnoeassignfinal1.409
assign (resid 51 and name HD2#) (resid 39 and name HB2) 5.000 3.2 0.0 !   cnewnoeassignfinal1.402
!assign (resid 41 and name HA) (resid 51 and name HA) 3.200 1.4 0.4 !   cnewnoeassignfinal1.113
assign (resid 51 and name HA) (resid 41 and name HG2) 5.000 3.2 0.0 !   cnewnoeassignfinal1.143
assign (resid 51 and name HD1#) (resid 41 and name HA) 3.800 2.0 0.4 !   cnewnoeassignfinal1.447
assign (resid 41 and name HB1) (resid 51 and name HD1#) 5.000 3.2 0.0 !   cnewnoeassignfinal1.269
assign (resid 41 and name HB2) (resid 51 and name HD1#) 5.000 3.2 0.0 !   cnewnoeassignfinal1.273
assign (resid 41 and name HD1) (resid 51 and name HD1#) 5.300 3.5 0.0 !   cnewnoeassignfinal1.340
assign (resid 51 and name HD1#) (resid 41 and name HG2) 5.000 3.2 0.0 !   cnewnoeassignfinal1.438
assign (resid 51 and name HD2#) (resid 41 and name HB1) 5.000 3.2 0.0 !   cnewnoeassignfinal1.410
assign (resid 41 and name HG1) (resid 51 and name HG) 5.000 3.2 0.0 !   cnewnoeassignfinal1.380
assign (resid 51 and name HA) (resid 51 and name HB1) 3.800 2.0 0.0 !   cnewnoeassignfinal1.142
assign (resid 51 and name HA) (resid 51 and name HD1#) 3.800 2.0 0.0 !   cnewnoeassignfinal1.144
assign (resid 51 and name HD2#) (resid 51 and name HA) 5.000 3.2 0.0 !   cnewnoeassignfinal1.407
assign (resid 51 and name HB1) (resid 51 and name HD2#) 3.800 2.0 0.0 !   cnewnoeassignfinal1.191
assign (resid 51 and name HA) (resid 51 and name HG) 5.000 3.2 0.0 !   cnewnoeassignfinal1.141
assign (resid 51 and name HG) (resid 51 and name HD1#) 5.000 3.2 0.0 !   cnewnoeassignfinal1.363
assign (resid 51 and name HG) (resid 51 and name HD2#) 5.000 3.2 0.0 !   cnewnoeassignfinal1.354
!assign (resid 42 and name HA) (resid 52 and name HG1#) 5.000 3.2 1.6 !   cnewnoeassignfinal1.83
!assign (resid 42 and name HB1) (resid 52 and name HG1#) 3.800 2.0 0.8 !   cnewnoeassignfinal1.258
assign (resid 52 and name HG1#) (resid 51 and name HB1) 6.200 4.4 0.0 !   cnewnoeassignfinal1.428
assign (resid 52 and name HA) (resid 52 and name HB) 3.800 2.0 0.0 !   cnewnoeassignfinal1.63
assign (resid 52 and name HA) (resid 52 and name HG1#) 3.800 2.0 0.0 !   cnewnoeassignfinal1.76
assign (resid 52 and name HB) (resid 52 and name HG1#) 3.800 2.0 0.0 !   cnewnoeassignfinal1.233
assign (resid 52 and name HA) (resid 52 and name HG2#) 3.800 2.0 0.0 !   cnewnoeassignfinal1.64
assign (resid 52 and name HB) (resid 52 and name HG2#) 3.800 2.0 0.0 !   cnewnoeassignfinal1.234

assign (resid 52 and name HG1#) (resid 54 and name HA) 6.5000 4.7 1.6 !   cnewnoeassignfinal1.426
assign (resid 52 and name HG2#) (resid 54 and name HA) 6.000 4.2 0.0 !   cnewnoeassignfinal1.483
assign (resid 52 and name HG1#) (resid 54 and name HB1) 6.600 4.8 0.0 !   cnewnoeassignfinal1.427
assign (resid 52 and name HG2#) (resid 54 and name HB1) 6.000 4.2 0.0 !   cnewnoeassignfinal1.484

assign (resid 54 and name HA) (resid 54 and name HD2) 5.000 3.2 0.0 !   cnewnoeassignfinal1.59
assign (resid 54 and name HB1) (resid 54 and name HD2) 3.800 2.0 0.0 !   cnewnoeassignfinal1.199
assign (resid 54 and name HD2) (resid 54 and name HB2) 5.000 3.2 0.0 !   cnewnoeassignfinal1.348
assign (resid 54 and name HA) (resid 54 and name HG1) 4.200 2.4 0.0 !   cnewnoeassignfinal1.61
assign (resid 54 and name HG1) (resid 54 and name HD2) 5.000 3.2 0.0 !   cnewnoeassignfinal1.319
assign (resid 54 and name HA) (resid 54 and name HG2) 3.800 2.0 0.0 !   cnewnoeassignfinal1.62
assign (resid 54 and name HG2) (resid 54 and name HD2) 5.000 3.2 0.0 !   cnewnoeassignfinal1.320
assign (resid 55 and name HB1) (resid 55 and name HA) 3.200 1.4 0.0 !   cnewnoeassignfinal1.231
assign (resid 56 and name HA) (resid 56 and name HB1) 3.800 2.0 0.0 !   cnewnoeassignfinal1.77
assign (resid 56 and name HA) (resid 56 and name HB2) 5.000 3.2 0.0 !   cnewnoeassignfinal1.78
assign (resid 57 and name HB) (resid 5 and name HG2#) 5.000 3.2 0.0 !   cnewnoeassignfinal1.249
assign (resid 57 and name HG1#) (resid 5 and name HG2#) 5.000 3.2 0.0 !   cnewnoeassignfinal1.469
assign (resid 7 and name HA) (resid 57 and name HA) 3.200 1.4 0.0 !   cnewnoeassignfinal1.44
assign (resid 7 and name HA) (resid 57 and name HB) 5.000 3.2 0.0 !   cnewnoeassignfinal1.45
assign (resid 57 and name HB) (resid 7 and name HB) 5.000 3.2 0.0 !   cnewnoeassignfinal1.248
assign (resid 7 and name HA) (resid 57 and name HG1#) 3.800 2.0 0.8 !   cnewnoeassignfinal1.47
assign (resid 7 and name HB) (resid 57 and name HG1#) 5.000 3.2 0.0 !   cnewnoeassignfinal1.4
assign (resid 7 and name HA) (resid 57 and name HG2#) 5.000 3.2 0.0 !   cnewnoeassignfinal1.43
assign (resid 57 and name HA) (resid 8 and name HB1) 5.000 3.2 0.0 !   cnewnoeassignfinal1.72
assign (resid 57 and name HA) (resid 8 and name HB2) 5.000 3.2 0.0 !   cnewnoeassignfinal1.74
assign (resid 57 and name HA) (resid 8 and name HD1#) 5.000 3.2 0.0 !   cnewnoeassignfinal1.73
assign (resid 57 and name HA) (resid 8 and name HG) 3.800 2.0 0.0 !   cnewnoeassignfinal1.71
assign (resid 8 and name HD1#) (resid 57 and name HB) 5.700 3.9 0.0 !   cnewnoeassignfinal1.442
assign (resid 57 and name HB) (resid 8 and name HD2#) 5.000 3.2 0.0 !   cnewnoeassignfinal1.246
assign (resid 57 and name HG1#) (resid 52 and name HG2#) 5.200 3.4 0.0 !   cnewnoeassignfinal1.470
assign (resid 57 and name HG1#) (resid 54 and name HA) 8.400 6.6 0.0 !   cnewnoeassignfinal1.456
assign (resid 54 and name HB1) (resid 57 and name HG1#) 6.000 4.2 0.0 !   cnewnoeassignfinal1.200
assign (resid 54 and name HA) (resid 57 and name HG2#) 7.500 5.7 0.0 !   cnewnoeassignfinal1.60
assign (resid 56 and name HB1) (resid 57 and name HG1#) 5.000 3.2 0.0 !   cnewnoeassignfinal1.225
assign (resid 56 and name HB2) (resid 57 and name HG1#) 5.000 3.2 0.0 !   cnewnoeassignfinal1.226
assign (resid 57 and name HA) (resid 57 and name HB) 3.200 1.4 0.0 !   cnewnoeassignfinal1.70
assign (resid 57 and name HA) (resid 57 and name HG1#) 3.800 2.0 0.0 !   cnewnoeassignfinal1.75
assign (resid 57 and name HB) (resid 57 and name HG1#) 3.800 2.0 0.0 !   cnewnoeassignfinal1.247
assign (resid 57 and name HG2#) (resid 57 and name HA) 5.000 3.2 0.0 !   cnewnoeassignfinal1.493
assign (resid 57 and name HB) (resid 57 and name HG2#) 3.800 2.0 0.0 !   cnewnoeassignfinal1.245
assign (resid 8 and name HD1#) (resid 58 and name HB) 3.800 2.0 0.0 !   cnewnoeassignfinal1.441
assign (resid 8 and name HD1#) (resid 58 and name HG1#) 3.800 2.0 0.0 !   cnewnoeassignfinal1.444
assign (resid 58 and name HA) (resid 57 and name HG2#) 5.000 3.2 0.0 !   cnewnoeassignfinal1.58
assign (resid 57 and name HA) (resid 58 and name HB) 5.000 3.2 0.0 !   cnewnoeassignfinal1.69
assign (resid 58 and name HA) (resid 58 and name HB) 3.200 1.4 0.0 !   cnewnoeassignfinal1.55
assign (resid 58 and name HA) (resid 58 and name HG2#) 3.800 2.0 0.0 !   cnewnoeassignfinal1.57
assign (resid 59 and name HA) (resid 5 and name HA) 3.200 1.4 0.0 !   cnewnoeassignfinal1.19
assign (resid 59 and name HA) (resid 5 and name HB) 5.000 3.2 0.0 !   cnewnoeassignfinal1.21
assign (resid 59 and name HA) (resid 5 and name HG1#) 5.000 3.2 0.0 !   cnewnoeassignfinal1.18
assign (resid 59 and name HA) (resid 5 and name HG2#) 3.800 2.0 0.0 !   cnewnoeassignfinal1.23
assign (resid 5 and name HA) (resid 59 and name HG1#) 5.000 3.2 0.0 !   cnewnoeassignfinal1.96
assign (resid 5 and name HG1#) (resid 59 and name HG1#) 5.000 3.2 0.0 !   cnewnoeassignfinal1.488
assign (resid 59 and name HG2#) (resid 5 and name HA) 5.000 3.2 0.0 !   cnewnoeassignfinal1.452
assign (resid 5 and name HG2#) (resid 59 and name HG2#) 5.000 3.2 0.0 !   cnewnoeassignfinal1.432
assign (resid 57 and name HG2#) (resid 59 and name HG2#) 5.000 3.2 0.0 !   cnewnoeassignfinal1.495
assign (resid 58 and name HA) (resid 59 and name HG2#) 5.000 3.2 0.0 !   cnewnoeassignfinal1.56
assign (resid 59 and name HA) (resid 59 and name HB) 5.000 3.2 0.0 !   cnewnoeassignfinal1.20
assign (resid 59 and name HA) (resid 59 and name HG1#) 3.800 2.0 0.0 !   cnewnoeassignfinal1.17
assign (resid 59 and name HB) (resid 59 and name HG1#) 3.800 2.0 0.0 !   cnewnoeassignfinal1.297
assign (resid 59 and name HA) (resid 59 and name HG2#) 3.800 2.0 0.0 !   cnewnoeassignfinal1.22
assign (resid 59 and name HB) (resid 59 and name HG2#) 3.800 2.0 0.0 !   cnewnoeassignfinal1.296
assign (resid 5 and name HA) (resid 60 and name HB1) 3.800 2.0 0.0 !   cnewnoeassignfinal1.95
assign (resid 60 and name HD2#) (resid 5 and name HA) 5.000 3.2 0.0 !   cnewnoeassignfinal1.401
assign (resid 60 and name HG) (resid 5 and name HA) 5.000 3.2 0.0 !   cnewnoeassignfinal1.364
assign (resid 60 and name HA) (resid 6 and name HB2) 4.300 2.5 0.0 !   cnewnoeassignfinal1.124
assign (resid 6 and name HB2) (resid 60 and name HB1) 5.000 3.2 0.0 !   cnewnoeassignfinal1.274
assign (resid 60 and name HD1#) (resid 6 and name HB2) 4.300 2.5 0.0 !   cnewnoeassignfinal1.436
assign (resid 60 and name HD1#) (resid 6 and name HG1) 5.000 3.2 0.0 !   cnewnoeassignfinal1.435
assign (resid 60 and name HD2#) (resid 6 and name HA) 5.000 3.2 0.0 !   cnewnoeassignfinal1.395
assign (resid 6 and name HB2) (resid 60 and name HD2#) 5.000 3.2 0.0 !   cnewnoeassignfinal1.275
assign (resid 26 and name HA) (resid 60 and name HD2#) 5.000 3.2 0.0 !   cnewnoeassignfinal1.42
assign (resid 26 and name HB) (resid 60 and name HD2#) 5.000 3.2 0.0 !   cnewnoeassignfinal1.3
assign (resid 60 and name HA) (resid 58 and name HG2#) 6.500 4.7 0.0 !   cnewnoeassignfinal1.128
assign (resid 59 and name HG1#) (resid 60 and name HA) 5.000 3.2 0.0 !   cnewnoeassignfinal1.457
assign (resid 60 and name HA) (resid 60 and name HB1) 3.200 1.4 0.0 !   cnewnoeassignfinal1.129
assign (resid 60 and name HA) (resid 60 and name HD1#) 4.200 2.4 0.0 !   cnewnoeassignfinal1.130
assign (resid 60 and name HD2#) (resid 60 and name HA) 5.000 3.2 0.0 !   cnewnoeassignfinal1.397
assign (resid 60 and name HD2#) (resid 60 and name HD1#) 3.800 2.0 0.0 !   cnewnoeassignfinal1.396
assign (resid 60 and name HG) (resid 60 and name HA) 5.000 3.2 0.0 !   cnewnoeassignfinal1.355
assign (resid 60 and name HD1#) (resid 60 and name HG) 3.200 1.4 0.0 !   cnewnoeassignfinal1.437
assign (resid 60 and name HD2#) (resid 60 and name HG) 3.200 1.4 0.0 !   cnewnoeassignfinal1.399
assign (resid 61 and name HB1) (resid 61 and name HA) 3.200 1.4 0.0 !   cnewnoeassignfinal1.9
assign (resid 61 and name HB2) (resid 61 and name HA) 3.200 1.4 0.0 !   cnewnoeassignfinal1.10

assign (resid 3 and name HN) (resid 2 and name HA) 5.000 3.2 0.0 !       n15noefinaladdextra.104
assign (resid 3 and name HN) (resid 3 and name HA) 5.000 3.2 0.0 !       n15noefinaladdextra.96
assign (resid 3 and name HN) (resid 3 and name HB1) 5.000 3.2 0.0 !      n15noefinaladdextra.105
assign (resid 3 and name HN) (resid 3 and name HB2) 5.000 3.2 0.0 !      n15noefinaladdextra.106
assign (resid 4 and name HN) (resid 3 and name HB1) 3.800 2.0 0.0 !      n15noefinaladdextra.67

assign (resid 4 and name HN) (resid 3 and name HB2) 3.800 2.0 0.0 !      n15noefinaladdextra.68

assign (resid 3 and name HN) (resid 4 and name HN) 5.000 3.2 0.0 !       n15noefinaladdextra.95
assign (resid 4 and name HN) (resid 4 and name HA) 3.200 1.4 0.0 !       n15noefinaladdextra.66
assign (resid 4 and name HN) (resid 4 and name HB) 3.200 1.4 0.0 !       n15noefinaladdextra.69
assign (resid 4 and name HN) (resid 4 and name HG2#) 3.800 2.0 0.0 !     n15noefinaladdextra.70
assign (resid 5 and name HN) (resid 4 and name HA) 3.200 1.4 0.0 !       n15noefinaladdextra.255
assign (resid 5 and name HN) (resid 4 and name HG1#) 3.800 2.0 0.0 !     n15noefinaladdextra.258
assign (resid 4 and name HN) (resid 5 and name HN) 5.000 3.2 0.0 !       n15noefinaladdextra.65
assign (resid 5 and name HN) (resid 5 and name HA) 3.800 2.0 0.0 !       n15noefinaladdextra.254
assign (resid 5 and name HN) (resid 5 and name HB) 5.000 3.2 0.0 !       n15noefinaladdextra.257
assign (resid 5 and name HN) (resid 5 and name HG1#) 3.800 2.0 0.0 !     n15noefinaladdextra.259
assign (resid 6 and name HN) (resid 5 and name HA) 3.200 1.4 0.0 !       n15noefinaladdextra.200
assign (resid 6 and name HN) (resid 5 and name HB) 3.200 1.4 0.0 !       n15noefinaladdextra.202
assign (resid 6 and name HN) (resid 5 and name HG1#) 5.000 3.2 0.0 !     n15noefinaladdextra.188
assign (resid 6 and name HN) (resid 6 and name HA) 5.000 3.2 0.0 !       n15noefinaladdextra.199
assign (resid 6 and name HN) (resid 6 and name HB2) 3.200 1.4 0.0 !      n15noefinaladdextra.203
assign (resid 7 and name HN) (resid 6 and name HA) 3.200 1.4 0.0 !       n15noefinaladdextra.295
assign (resid 7 and name HN) (resid 6 and name HB2) 5.000 3.2 0.0 !      n15noefinaladdextra.299
assign (resid 7 and name HN) (resid 6 and name HG1) 3.200 1.4 0.0 !      n15noefinaladdextra.298
assign (resid 6 and name HN) (resid 7 and name HN) 5.000 3.2 0.0 !       n15noefinaladdextra.198
assign (resid 7 and name HN) (resid 7 and name HB) 3.800 2.0 0.0 !       n15noefinaladdextra.296
assign (resid 8 and name HN) (resid 7 and name HA) 3.200 1.4 0.0 !       n15noefinaladdextra.60
assign (resid 8 and name HN) (resid 7 and name HN) 5.000 3.2 0.0 !       n15noefinaladdextra.54
assign (resid 8 and name HN) (resid 8 and name HA) 5.000 3.2 0.0 !       n15noefinaladdextra.57
assign (resid 8 and name HN) (resid 8 and name HB1) 3.800 2.0 0.0 !      n15noefinaladdextra.58
assign (resid 8 and name HN) (resid 8 and name HD2#) 5.000 3.2 0.0 !     n15noefinaladdextra.62
assign (resid 8 and name HN) (resid 8 and name HG) 3.800 2.0 0.0 !       n15noefinaladdextra.61
assign (resid 9 and name HN) (resid 7 and name HA) 4.100 2.3 0.0 !       n15noefinaladdextra.329

assign (resid 8 and name HN) (resid 9 and name HA) 5.600 3.8 0.0 !       n15noefinaladdextra.56

assign (resid 9 and name HN) (resid 8 and name HB1) 5.000 3.2 0.0 !      n15noefinaladdextra.333
assign (resid 9 and name HN) (resid 8 and name HG) 5.000 3.2 0.0 !       n15noefinaladdextra.332
assign (resid 8 and name HN) (resid 9 and name HN) 3.800 2.0 0.0 !       n15noefinaladdextra.55
assign (resid 9 and name HN) (resid 9 and name HA) 3.800 2.0 0.0 !       n15noefinaladdextra.328
assign (resid 9 and name HN) (resid 9 and name HB1) 5.000 3.2 0.0 !      n15noefinaladdextra.330
assign (resid 9 and name HN) (resid 9 and name HB2) 5.000 3.2 0.0 !      n15noefinaladdextra.331
assign (resid 11 and name HN) (resid 10 and name HA) 3.200 1.4 0.0 !     n15noefinaladdextra.187
assign (resid 12 and name HN) (resid 12 and name HA) 3.800 2.0 0.0 !     n15noefinaladdextra.78
assign (resid 13 and name HN) (resid 12 and name HA) 3.200 1.4 0.0 !     n15noefinaladdextra.241
assign (resid 12 and name HN) (resid 13 and name HN) 5.000 3.2 0.0 !     n15noefinaladdextra.77
assign (resid 13 and name HN) (resid 13 and name HA) 3.800 2.0 0.0 !     n15noefinaladdextra.242
assign (resid 13 and name HN) (resid 13 and name HB1) 3.800 2.0 0.0 !    n15noefinaladdextra.243
assign (resid 13 and name HN) (resid 13 and name HB2) 3.200 1.4 0.0 !    n15noefinaladdextra.244
assign (resid 13 and name HN) (resid 14 and name HG1#) 5.900 4.1 0.0 !   n15noefinaladdextra.246
assign (resid 14 and name HN) (resid 13 and name HA) 3.200 1.4 0.0 !     n15noefinaladdextra.221
assign (resid 14 and name HN) (resid 13 and name HB1) 5.000 3.2 0.0 !    n15noefinaladdextra.218
assign (resid 14 and name HN) (resid 13 and name HB2) 5.000 3.2 0.0 !    n15noefinaladdextra.222
assign (resid 13 and name HN) (resid 14 and name HN) 5.000 3.2 0.0 !     n15noefinaladdextra.238
assign (resid 14 and name HN) (resid 14 and name HB) 3.800 2.0 0.0 !     n15noefinaladdextra.223
assign (resid 14 and name HN) (resid 14 and name HG1#) 3.800 2.0 0.0 !   n15noefinaladdextra.224
assign (resid 15 and name HN) (resid 13 and name HB1) 5.000 3.2 0.0 !    n15noefinaladdextra.309
assign (resid 15 and name HN) (resid 13 and name HB2) 6.500 4.7 0.0 !    n15noefinaladdextra.310
assign (resid 14 and name HN) (resid 15 and name HA) 5.600 3.8 0.0 !     n15noefinaladdextra.220
assign (resid 15 and name HN) (resid 14 and name HB) 5.000 3.2 0.0 !     n15noefinaladdextra.311
assign (resid 15 and name HN) (resid 14 and name HG1#) 5.000 3.2 0.0 !   n15noefinaladdextra.312
assign (resid 14 and name HN) (resid 15 and name HN) 4.000 2.3 0.0 !     n15noefinaladdextra.219
assign (resid 15 and name HN) (resid 15 and name HA) 3.800 2.0 0.0 !     n15noefinaladdextra.307
assign (resid 15 and name HN) (resid 15 and name HB) 3.200 1.4 0.0 !     n15noefinaladdextra.308
assign (resid 16 and name HN) (resid 15 and name HA) 3.200 1.4 0.0 !     n15noefinaladdextra.73
assign (resid 16 and name HN) (resid 15 and name HN) 5.000 3.2 0.0 !     n15noefinaladdextra.72
assign (resid 16 and name HN) (resid 16 and name HA) 3.200 1.4 0.0 !     n15noefinaladdextra.74
assign (resid 16 and name HN) (resid 16 and name HB1) 3.200 1.4 0.0 !    n15noefinaladdextra.76
assign (resid 16 and name HN) (resid 16 and name HG1) 3.800 2.0 0.0 !    n15noefinaladdextra.75
assign (resid 17 and name HN) (resid 15 and name HA) 5.000 3.2 0.0 !     n15noefinaladdextra.277
assign (resid 17 and name HN) (resid 16 and name HB1) 3.200 1.4 0.0 !    n15noefinaladdextra.280
assign (resid 16 and name HN) (resid 17 and name HN) 3.800 2.0 0.0 !     n15noefinaladdextra.71
assign (resid 17 and name HN) (resid 17 and name HA) 3.200 1.4 0.0 !     n15noefinaladdextra.278
assign (resid 17 and name HN) (resid 17 and name HB2) 4.200 1.4 0.0 !    n15noefinaladdextra.281
assign (resid 17 and name HN) (resid 17 and name HG1) 3.800 2.0 0.0 !    n15noefinaladdextra.279
assign (resid 18 and name HN) (resid 16 and name HN) 5.000 3.2 0.0 !     n15noefinaladdextra.225
assign (resid 18 and name HN) (resid 17 and name HA) 5.000 3.2 0.0 !     n15noefinaladdextra.227
assign (resid 18 and name HN) (resid 17 and name HN) 3.200 1.4 0.0 !     n15noefinaladdextra.226
assign (resid 18 and name HN) (resid 18 and name HA) 5.000 3.2 0.0 !     n15noefinaladdextra.230
assign (resid 18 and name HN) (resid 18 and name HB1) 3.800 2.0 0.0 !    n15noefinaladdextra.229
assign (resid 19 and name HN) (resid 18 and name HA) 3.200 1.4 0.0 !     n15noefinaladdextra.98
assign (resid 19 and name HN) (resid 18 and name HB2) 5.000 3.2 0.0 !    n15noefinaladdextra.100

assign (resid 19 and name HN) (resid 19 and name HB1) 3.800 2.0 0.0 !    n15noefinaladdextra.101

assign (resid 19 and name HN) (resid 19 and name HD1#) 5.000 3.2 0.0 !   n15noefinaladdextra.103
assign (resid 19 and name HN) (resid 19 and name HG) 5.000 2.4 0.0 !     n15noefinaladdextra.102
assign (resid 13 and name HN) (resid 20 and name HB1) 5.000 3.2 0.0 !    n15noefinaladdextra.245
assign (resid 20 and name HN) (resid 13 and name HB2) 5.000 3.2 0.0 !    n15noefinaladdextra.264
assign (resid 20 and name HN) (resid 19 and name HA) 3.200 1.4 0.0 !     n15noefinaladdextra.263
assign (resid 20 and name HN) (resid 19 and name HB1) 4.400 2.6 0.0 !    n15noefinaladdextra.266
assign (resid 20 and name HN) (resid 19 and name HD1#) 5.000 3.2 0.0 !   n15noefinaladdextra.268
assign (resid 20 and name HN) (resid 19 and name HG) 5.000 3.2 0.0 !     n15noefinaladdextra.267
assign (resid 20 and name HN) (resid 19 and name HN) 5.000 3.2 0.0 !     n15noefinaladdextra.261
assign (resid 20 and name HN) (resid 20 and name HA) 5.000 3.2 0.0 !     n15noefinaladdextra.262
assign (resid 20 and name HN) (resid 20 and name HB1) 3.9000 2.1 0.0 !    n15noefinaladdextra.265
assign (resid 21 and name HN) (resid 13 and name HB2) 5.500 3.7 0.0 !    n15noefinaladdextra.301
assign (resid 13 and name HN) (resid 21 and name HN) 6.000 4.2 0.0 !     n15noefinaladdextra.239
assign (resid 21 and name HN) (resid 20 and name HA) 3.200 1.4 0.0 !     n15noefinaladdextra.304

assign (resid 21 and name HN) (resid 20 and name HB1) 4.600 2.8 0.0 !    n15noefinaladdextra.302

assign (resid 20 and name HN) (resid 21 and name HN) 5.000 3.2 0.0 !     n15noefinaladdextra.260
assign (resid 21 and name HN) (resid 21 and name HA) 3.800 2.0 0.0 !     n15noefinaladdextra.300
assign (resid 22 and name HN) (resid 21 and name HA) 3.200 1.4 0.0 !     n15noefinaladdextra.160
assign (resid 22 and name HN) (resid 21 and name HB2) 4.200 2.4 0.0 !    n15noefinaladdextra.162
assign (resid 22 and name HN) (resid 22 and name HA) 5.000 3.2 0.0 !     n15noefinaladdextra.161
assign (resid 22 and name HN) (resid 22 and name HB2) 3.800 2.0 0.0 !    n15noefinaladdextra.164
assign (resid 22 and name HN) (resid 22 and name HG1) 3.800 2.0 0.0 !    n15noefinaladdextra.163
assign (resid 23 and name HN) (resid 22 and name HB2) 4.400 2.6 0.0 !    n15noefinaladdextra.82
assign (resid 23 and name HN) (resid 22 and name HG1) 4.300 2.5 0.0 !    n15noefinaladdextra.81
assign (resid 23 and name HN) (resid 23 and name HA) 3.800 2.0 0.0 !     n15noefinaladdextra.80
assign (resid 23 and name HN) (resid 23 and name HB1) 3.200 1.4 0.0 !    n15noefinaladdextra.84
assign (resid 23 and name HN) (resid 23 and name HB2) 3.200 1.4 0.0 !    n15noefinaladdextra.83
assign (resid 23 and name HN) (resid 23 and name HD1) 5.000 3.2 0.0 !    n15noefinaladdextra.85
assign (resid 24 and name HN) (resid 23 and name HA) 3.200 1.4 0.0 !     n15noefinaladdextra.271
assign (resid 24 and name HN) (resid 23 and name HB2) 5.000 3.2 0.0 !    n15noefinaladdextra.272
assign (resid 24 and name HN) (resid 23 and name HD1) 5.000 3.2 0.0 !    n15noefinaladdextra.273
assign (resid 24 and name HN) (resid 23 and name HD2) 4.300 2.5 0.0 !    n15noefinaladdextra.274
assign (resid 23 and name HN) (resid 24 and name HN) 5.000 3.2 0.0 !     n15noefinaladdextra.79
assign (resid 24 and name HN) (resid 24 and name HA1) 3.200 1.4 0.0 !    n15noefinaladdextra.270
assign (resid 7 and name HN) (resid 25 and name HG2) 5.700 3.9 0.0 !     n15noefinaladdextra.297
assign (resid 25 and name HN) (resid 7 and name HB) 5.700 3.9 0.0 !      n15noefinaladdextra.119
assign (resid 25 and name HN) (resid 7 and name HN) 5.000 3.2 0.0 !      n15noefinaladdextra.117
assign (resid 25 and name HN) (resid 24 and name HA1) 5.000 3.2 0.0 !    n15noefinaladdextra.121
assign (resid 25 and name HN) (resid 24 and name HA2) 5.000 3.2 0.0 !    n15noefinaladdextra.122
assign (resid 25 and name HN) (resid 24 and name HN) 4.600 2.8 0.0 !     n15noefinaladdextra.118
assign (resid 25 and name HN) (resid 25 and name HA) 3.800 2.0 0.0 !     n15noefinaladdextra.120
assign (resid 25 and name HN) (resid 25 and name HB2) 3.800 2.0 0.0 !    n15noefinaladdextra.125
assign (resid 25 and name HN) (resid 25 and name HG1) 4.100 2.3 0.0 !    n15noefinaladdextra.123
assign (resid 25 and name HN) (resid 25 and name HG2) 5.000 3.2 0.0 !    n15noefinaladdextra.124
assign (resid 26 and name HN) (resid 7 and name HN) 5.000 3.2 0.0 !      n15noefinaladdextra.282
assign (resid 26 and name HN) (resid 25 and name HA) 3.200 1.4 0.0 !     n15noefinaladdextra.285
assign (resid 26 and name HN) (resid 25 and name HB2) 5.000 3.2 0.0 !    n15noefinaladdextra.290
assign (resid 26 and name HN) (resid 25 and name HG1) 5.000 3.2 0.0 !    n15noefinaladdextra.287
assign (resid 26 and name HN) (resid 25 and name HG2) 5.000 3.2 0.0 !    n15noefinaladdextra.289
assign (resid 26 and name HN) (resid 25 and name HN) 5.000 3.2 0.0 !     n15noefinaladdextra.283
assign (resid 26 and name HN) (resid 26 and name HA) 3.800 2.0 0.0 !     n15noefinaladdextra.284

assign (resid 26 and name HN) (resid 26 and name HB) 4.000 2.2 0.0 !     n15noefinaladdextra.286

assign (resid 27 and name HN) (resid 4 and name HG1#) 5.000 3.2 0.0 !    n15noefinaladdextra.93
assign (resid 27 and name HN) (resid 5 and name HG1#) 5.000 3.2 0.0 !    n15noefinaladdextra.94
assign (resid 27 and name HN) (resid 6 and name HA) 5.000 3.2 0.0 !      n15noefinaladdextra.87
assign (resid 27 and name HN) (resid 26 and name HA) 3.200 1.4 0.0 !     n15noefinaladdextra.88

assign (resid 27 and name HN) (resid 26 and name HB) 3.200 1.4 0.0 !     n15noefinaladdextra.90

assign (resid 27 and name HN) (resid 27 and name HA) 3.800 2.0 0.0 !     n15noefinaladdextra.89
assign (resid 27 and name HN) (resid 27 and name HB1) 3.800 2.0 0.0 !    n15noefinaladdextra.86
assign (resid 27 and name HN) (resid 27 and name HB2) 5.000 3.2 0.0 !    n15noefinaladdextra.92
assign (resid 5 and name HN) (resid 28 and name HB2) 5.000 3.2 0.0 !     n15noefinaladdextra.256
assign (resid 28 and name HN) (resid 5 and name HB) 6.400 4.6 0.0 !      n15noefinaladdextra.167
assign (resid 28 and name HN) (resid 5 and name HG1#) 5.000 3.2 0.0 !    n15noefinaladdextra.170
assign (resid 28 and name HN) (resid 5 and name HG2#) 6.000 4.2 0.0 !    n15noefinaladdextra.169
assign (resid 27 and name HN) (resid 28 and name HB2) 6.800 5.0 0.0 !    n15noefinaladdextra.91
assign (resid 28 and name HN) (resid 27 and name HA) 3.200 1.4 0.0 !     n15noefinaladdextra.166
assign (resid 28 and name HN) (resid 27 and name HB1) 5.000 3.2 0.0 !    n15noefinaladdextra.152
assign (resid 28 and name HN) (resid 27 and name HB2) 3.800 2.0 0.0 !    n15noefinaladdextra.168
assign (resid 28 and name HN) (resid 28 and name HB2) 5.000 3.2 0.0 !    n15noefinaladdextra.151


assign (resid 30 and name HN) (resid 29 and name HA) 3.200 1.4 0.0 !     n15noefinaladdextra.7
assign (resid 30 and name HN) (resid 29 and name HG2#) 5.000 3.2 0.0 !   n15noefinaladdextra.12
assign (resid 30 and name HN) (resid 30 and name HB) 3.800 2.0 0.0 !     n15noefinaladdextra.10
assign (resid 30 and name HN) (resid 30 and name HG2#) 5.000 3.2 0.0 !   n15noefinaladdextra.11
assign (resid 30 and name HN) (resid 31 and name HB1) 5.800 4.0 0.0 !    n15noefinaladdextra.9
assign (resid 31 and name HN) (resid 30 and name HB) 4.200 2.4 0.0 !     n15noefinaladdextra.216
assign (resid 30 and name HN) (resid 31 and name HN) 4.200 2.4 0.0 !     n15noefinaladdextra.6
assign (resid 31 and name HN) (resid 31 and name HA) 3.200 1.4 0.0 !     n15noefinaladdextra.214
assign (resid 31 and name HN) (resid 31 and name HB1) 3.200 1.4 0.0 !    n15noefinaladdextra.213
assign (resid 31 and name HN) (resid 31 and name HG1) 5.000 3.2 0.0 !    n15noefinaladdextra.215
assign (resid 32 and name HN) (resid 30 and name HB) 6.700 4.9 0.0 !     n15noefinaladdextra.35
assign (resid 31 and name HN) (resid 32 and name HD1) 5.000 3.2 0.0 !    n15noefinaladdextra.217
assign (resid 32 and name HN) (resid 31 and name HB1) 4.400 2.6 0.0 !    n15noefinaladdextra.38
assign (resid 32 and name HN) (resid 31 and name HG1) 5.000 3.2 0.0 !    n15noefinaladdextra.37
assign (resid 32 and name HN) (resid 32 and name HA) 5.000 3.2 0.0 !     n15noefinaladdextra.36
assign (resid 32 and name HN) (resid 32 and name HB1) 3.500 1.7 0.0 !    n15noefinaladdextra.39
assign (resid 34 and name HN) (resid 33 and name HA) 3.200 1.4 0.0 !     n15noefinaladdextra.51
assign (resid 34 and name HN) (resid 34 and name HB1) 3.200 1.4 0.0 !    n15noefinaladdextra.53
assign (resid 34 and name HN) (resid 34 and name HG1) 3.800 2.0 0.0 !    n15noefinaladdextra.52
assign (resid 35 and name HN) (resid 34 and name HA) 3.800 2.0 0.0 !     n15noefinaladdextra.325
assign (resid 35 and name HN) (resid 34 and name HG1) 5.000 3.2 0.0 !    n15noefinaladdextra.324
assign (resid 35 and name HN) (resid 34 and name HN) 5.000 3.2 0.0 !     n15noefinaladdextra.321
assign (resid 35 and name HN) (resid 35 and name HA) 3.800 2.0 0.0 !     n15noefinaladdextra.323
assign (resid 36 and name HN) (resid 34 and name HA) 5.000 3.2 0.0 !     n15noefinaladdextra.234
assign (resid 34 and name HN) (resid 36 and name HN) 5.000 3.2 0.0 !     n15noefinaladdextra.50
assign (resid 36 and name HN) (resid 35 and name HA) 5.000 3.2 0.0 !     n15noefinaladdextra.233
assign (resid 36 and name HN) (resid 35 and name HB1) 5.000 3.2 0.0 !    n15noefinaladdextra.236
assign (resid 36 and name HN) (resid 35 and name HN) 3.800 2.0 0.0 !     n15noefinaladdextra.231
assign (resid 36 and name HN) (resid 36 and name HA) 3.800 2.0 0.0 !     n15noefinaladdextra.232
assign (resid 36 and name HN) (resid 36 and name HB1) 5.000 3.2 0.0 !    n15noefinaladdextra.235
assign (resid 36 and name HN) (resid 36 and name HB2) 5.000 3.2 0.0 !    n15noefinaladdextra.237
assign (resid 38 and name HN) (resid 38 and name HA) 3.800 2.0 0.0 !     n15noefinaladdextra.292
assign (resid 38 and name HN) (resid 38 and name HB1) 3.200 1.4 0.0 !    n15noefinaladdextra.303
assign (resid 38 and name HN) (resid 38 and name HB2) 3.800 2.0 0.0 !    n15noefinaladdextra.293
assign (resid 39 and name HN) (resid 38 and name HA) 5.000 3.2 0.0 !     n15noefinaladdextra.156
assign (resid 39 and name HN) (resid 38 and name HB1) 3.800 2.0 0.0 !    n15noefinaladdextra.159
assign (resid 39 and name HN) (resid 38 and name HB2) 5.000 3.2 0.0 !    n15noefinaladdextra.158
assign (resid 39 and name HN) (resid 38 and name HN) 3.200 1.4 0.0 !     n15noefinaladdextra.154
assign (resid 39 and name HN) (resid 39 and name HA) 5.000 3.2 0.0 !     n15noefinaladdextra.155
assign (resid 39 and name HN) (resid 39 and name HB2) 3.800 2.0 0.0 !    n15noefinaladdextra.157
assign (resid 40 and name HN) (resid 39 and name HA) 3.200 1.4 0.0 !     n15noefinaladdextra.134
assign (resid 39 and name HN) (resid 40 and name HN) 5.000 3.2 0.0 !     n15noefinaladdextra.153
assign (resid 40 and name HN) (resid 40 and name HA) 5.000 3.2 0.0 !     n15noefinaladdextra.133
assign (resid 40 and name HN) (resid 40 and name HB1) 3.800 2.0 0.0 !    n15noefinaladdextra.135
assign (resid 40 and name HN) (resid 40 and name HB2) 3.800 2.0 0.0 !    n15noefinaladdextra.136
assign (resid 41 and name HN) (resid 29 and name HA) 5.000 3.2 0.0 !     n15noefinaladdextra.369
assign (resid 30 and name HN) (resid 41 and name HB2) 5.000 3.2 1.6 !    n15noefinaladdextra.368
assign (resid 41 and name HN) (resid 30 and name HB) 6.400 4.6 0.0 !     n15noefinaladdextra.47
assign (resid 41 and name HN) (resid 30 and name HD1#) 5.500 3.7 0.0 !   n15noefinaladdextra.49
assign (resid 41 and name HN) (resid 30 and name HN) 5.000 3.2 0.0 !     n15noefinaladdextra.42
assign (resid 41 and name HN) (resid 31 and name HN) 6.100 4.3 0.0 !     n15noefinaladdextra.43
assign (resid 41 and name HN) (resid 32 and name HE1) 6.500 4.7 0.0 !    n15noefinaladdextra.46
assign (resid 40 and name HN) (resid 41 and name HB1) 5.900 4.1 0.0 !    n15noefinaladdextra.137
assign (resid 41 and name HN) (resid 40 and name HA) 3.200 1.4 0.0 !     n15noefinaladdextra.44
assign (resid 41 and name HN) (resid 40 and name HB2) 5.000 3.2 0.0 !    n15noefinaladdextra.45
assign (resid 41 and name HN) (resid 41 and name HB2) 3.800 2.0 0.0 !    n15noefinaladdextra.48
assign (resid 28 and name HN) (resid 42 and name HA) 5.000 3.2 0.0 !     n15noefinaladdextra.149
assign (resid 28 and name HN) (resid 42 and name HB1) 5.000 3.2 0.0 !    n15noefinaladdextra.150
assign (resid 30 and name HN) (resid 42 and name HB1) 5.000 3.2 0.0 !    n15noefinaladdextra.8
assign (resid 42 and name HN) (resid 30 and name HD1#) 5.000 3.2 0.0 !   n15noefinaladdextra.34
assign (resid 42 and name HN) (resid 41 and name HA) 3.200 1.4 0.0 !     n15noefinaladdextra.31
assign (resid 42 and name HN) (resid 42 and name HA) 5.000 3.2 0.0 !     n15noefinaladdextra.29
assign (resid 42 and name HN) (resid 42 and name HB1) 3.800 2.0 0.0 !    n15noefinaladdextra.32
assign (resid 43 and name HN) (resid 27 and name HA) 5.000 3.2 1.6 !     n15noefinaladdextra.142
assign (resid 43 and name HN) (resid 28 and name HB2) 5.000 3.2 0.0 !    n15noefinaladdextra.145
assign (resid 43 and name HN) (resid 28 and name HN) 3.800 2.0 0.4 !     n15noefinaladdextra.140
assign (resid 43 and name HN) (resid 29 and name HA) 5.000 3.2 0.0 !     n15noefinaladdextra.370
assign (resid 43 and name HN) (resid 30 and name HD1#) 5.000 3.2 0.0 !   n15noefinaladdextra.148
assign (resid 43 and name HN) (resid 41 and name HE1) 5.400 3.6 0.0 !    n15noefinaladdextra.143
assign (resid 43 and name HN) (resid 42 and name HA) 3.200 1.4 0.0 !     n15noefinaladdextra.141
assign (resid 43 and name HN) (resid 42 and name HB1) 3.800 2.0 0.0 !    n15noefinaladdextra.144
assign (resid 43 and name HN) (resid 42 and name HN) 5.000 3.2 0.0 !     n15noefinaladdextra.139
assign (resid 43 and name HN) (resid 43 and name HB1) 3.800 2.0 0.0 !    n15noefinaladdextra.146
assign (resid 44 and name HN) (resid 43 and name HA) 3.200 1.4 0.0 !     n15noefinaladdextra.15
assign (resid 44 and name HN) (resid 44 and name HA) 3.800 2.0 0.0 !     n15noefinaladdextra.16
assign (resid 44 and name HN) (resid 44 and name HB1) 5.000 3.2 0.0 !    n15noefinaladdextra.17
assign (resid 44 and name HN) (resid 44 and name HB2) 3.800 2.0 0.0 !    n15noefinaladdextra.18
assign (resid 44 and name HN) (resid 45 and name HA) 5.000 3.2 0.0 !     n15noefinaladdextra.21
assign (resid 45 and name HN) (resid 44 and name HA) 3.200 1.4 0.0 !     n15noefinaladdextra.128
assign (resid 45 and name HN) (resid 44 and name HB1) 3.200 1.4 0.0 !    n15noefinaladdextra.130
assign (resid 45 and name HN) (resid 44 and name HB2) 3.800 2.0 0.0 !    n15noefinaladdextra.131
assign (resid 45 and name HN) (resid 45 and name HA) 3.800 2.0 0.0 !     n15noefinaladdextra.129
assign (resid 45 and name HN) (resid 45 and name HB#) 3.200 1.4 0.0 !    n15noefinaladdextra.132
assign (resid 46 and name HN) (resid 44 and name HB2) 5.000 3.2 0.0 !    n15noefinaladdextra.319
assign (resid 46 and name HN) (resid 45 and name HA) 3.800 2.0 0.0 !     n15noefinaladdextra.317
assign (resid 45 and name HN) (resid 46 and name HN) 3.800 2.0 0.0 !     n15noefinaladdextra.127
assign (resid 46 and name HN) (resid 46 and name HA) 3.800 2.0 0.0 !     n15noefinaladdextra.315
assign (resid 46 and name HN) (resid 46 and name HB2) 3.800 2.0 0.0 !    n15noefinaladdextra.320
assign (resid 45 and name HN) (resid 47 and name HN) 5.000 3.2 0.0 !     n15noefinaladdextra.126
assign (resid 46 and name HN) (resid 47 and name HA2) 5.000 3.2 0.0 !    n15noefinaladdextra.318
assign (resid 47 and name HN) (resid 46 and name HA) 3.800 2.0 0.0 !     n15noefinaladdextra.364
assign (resid 47 and name HN) (resid 46 and name HB1) 5.000 3.2 0.0 !    n15noefinaladdextra.367
assign (resid 46 and name HN) (resid 47 and name HN) 3.200 1.4 0.0 !     n15noefinaladdextra.314
assign (resid 47 and name HN) (resid 47 and name HA1) 3.200 1.4 0.0 !    n15noefinaladdextra.365
assign (resid 47 and name HN) (resid 47 and name HA2) 3.200 1.4 0.0 !    n15noefinaladdextra.366
assign (resid 44 and name HN) (resid 48 and name HB1) 6.100 4.3 0.0 !    n15noefinaladdextra.19
assign (resid 44 and name HN) (resid 48 and name HN) 4.900 3.1 0.0 !     n15noefinaladdextra.14
assign (resid 46 and name HN) (resid 48 and name HB1) 7.000 5.2 0.0 !    n15noefinaladdextra.316
assign (resid 48 and name HN) (resid 46 and name HG2) 6.500 4.7 0.0 !    n15noefinaladdextra.116
assign (resid 48 and name HN) (resid 46 and name HN) 5.000 3.2 0.0 !     n15noefinaladdextra.113
assign (resid 48 and name HN) (resid 47 and name HA2) 5.000 3.2 0.0 !    n15noefinaladdextra.115
assign (resid 48 and name HN) (resid 48 and name HA) 3.200 1.4 0.0 !     n15noefinaladdextra.114
assign (resid 42 and name HN) (resid 49 and name HG1#) 5.600 3.8 0.0 !   n15noefinaladdextra.33
assign (resid 43 and name HN) (resid 49 and name HG1#) 5.000 3.2 0.0 !   n15noefinaladdextra.147
assign (resid 44 and name HN) (resid 49 and name HG1#) 5.000 3.2 0.0 !   n15noefinaladdextra.20
assign (resid 48 and name HN) (resid 49 and name HG1#) 6.000 4.2 0.0 !   n15noefinaladdextra.111
assign (resid 49 and name HN) (resid 48 and name HA) 3.200 1.4 0.0 !     n15noefinaladdextra.108

assign (resid 49 and name HN) (resid 49 and name HB) 4.000 2.2 0.0 !     n15noefinaladdextra.109

assign (resid 49 and name HN) (resid 49 and name HG1#) 3.800 2.0 0.0 !   n15noefinaladdextra.110
assign (resid 18 and name HN) (resid 50 and name HA1) 5.000 3.2 0.0 !    n15noefinaladdextra.228
assign (resid 19 and name HN) (resid 50 and name HA1) 5.000 3.2 0.0 !    n15noefinaladdextra.99
assign (resid 50 and name HN) (resid 19 and name HB1) 5.000 3.2 0.0 !    n15noefinaladdextra.349
assign (resid 50 and name HN) (resid 19 and name HG) 5.000 3.2 0.0 !     n15noefinaladdextra.350
assign (resid 50 and name HN) (resid 41 and name HA) 5.000 3.2 0.0 !     n15noefinaladdextra.344
assign (resid 50 and name HN) (resid 42 and name HB1) 7.500 5.7 0.0 !    n15noefinaladdextra.347
assign (resid 42 and name HN) (resid 50 and name HN) 5.000 3.2 0.0 !     n15noefinaladdextra.28
assign (resid 50 and name HN) (resid 49 and name HB) 5.000 3.2 0.0 !     n15noefinaladdextra.348
assign (resid 50 and name HN) (resid 49 and name HG2#) 3.800 2.0 0.0 !   n15noefinaladdextra.351
assign (resid 49 and name HN) (resid 50 and name HN) 5.000 3.2 0.0 !     n15noefinaladdextra.107
assign (resid 50 and name HN) (resid 50 and name HA1) 3.800 2.0 0.0 !    n15noefinaladdextra.346
assign (resid 50 and name HN) (resid 50 and name HA2) 3.800 2.0 0.0 !    n15noefinaladdextra.345
assign (resid 51 and name HN) (resid 18 and name HN) 5.000 3.2 0.0 !     n15noefinaladdextra.193
assign (resid 51 and name HN) (resid 19 and name HG) 5.800 4.0 0.0 !     n15noefinaladdextra.189
assign (resid 19 and name HN) (resid 51 and name HN) 5.000 3.2 0.0 !     n15noefinaladdextra.97
assign (resid 40 and name HN) (resid 51 and name HA) 5.000 3.2 0.0 !     n15noefinaladdextra.371
assign (resid 42 and name HN) (resid 51 and name HA) 5.000 3.2 1.6 !     n15noefinaladdextra.30
assign (resid 51 and name HN) (resid 50 and name HA1) 3.200 1.4 0.0 !    n15noefinaladdextra.196
assign (resid 51 and name HN) (resid 50 and name HA2) 3.200 1.4 0.0 !    n15noefinaladdextra.195
assign (resid 51 and name HN) (resid 51 and name HA) 5.000 3.2 0.0 !     n15noefinaladdextra.194
assign (resid 51 and name HN) (resid 51 and name HD1#) 5.000 3.2 0.0 !   n15noefinaladdextra.197
assign (resid 51 and name HN) (resid 51 and name HD2#) 5.000 3.2 0.0 !   n15noefinaladdextra.190
assign (resid 40 and name HN) (resid 52 and name HG1#) 5.000 3.2 0.0 !   n15noefinaladdextra.138
assign (resid 52 and name HN) (resid 40 and name HB1) 5.000 3.2 1.6 !    n15noefinaladdextra.186
assign (resid 52 and name HN) (resid 40 and name HB2) 5.000 3.2 1.6 !    n15noefinaladdextra.181
assign (resid 41 and name HN) (resid 52 and name HG1#) 5.000 3.2 0.0 !   n15noefinaladdextra.40
assign (resid 41 and name HN) (resid 52 and name HN) 5.000 3.2 0.0 !     n15noefinaladdextra.41
assign (resid 52 and name HN) (resid 50 and name HA2) 6.000 4.2 0.0 !    n15noefinaladdextra.185
assign (resid 52 and name HN) (resid 51 and name HA) 3.200 1.4 0.0 !     n15noefinaladdextra.179
assign (resid 52 and name HN) (resid 51 and name HD1#) 5.000 3.2 0.0 !   n15noefinaladdextra.184
assign (resid 51 and name HN) (resid 52 and name HN) 5.000 3.2 0.0 !     n15noefinaladdextra.191
assign (resid 52 and name HN) (resid 52 and name HA) 3.800 2.0 0.0 !     n15noefinaladdextra.180
assign (resid 52 and name HN) (resid 52 and name HB) 3.800 2.0 0.0 !     n15noefinaladdextra.182
assign (resid 52 and name HN) (resid 52 and name HG1#) 5.000 3.2 0.0 !   n15noefinaladdextra.183
assign (resid 40 and name HN) (resid 53 and name HA) 9.600 7.8 0.0 !     n15noefinaladdextra.372

assign (resid 55 and name HN) (resid 52 and name HG1#) 7.800 6.0 0.0 !   n15noefinaladdextra.340

assign (resid 55 and name HN) (resid 54 and name HA) 5.000 3.2 0.0 !     n15noefinaladdextra.337
assign (resid 55 and name HN) (resid 54 and name HD2) 5.000 3.2 0.0 !    n15noefinaladdextra.339
assign (resid 54 and name HN) (resid 55 and name HN) 3.800 2.0 0.0 !     n15noefinaladdextra.13
assign (resid 55 and name HN) (resid 55 and name HA) 3.800 2.0 0.0 !     n15noefinaladdextra.335
assign (resid 55 and name HN) (resid 55 and name HB1) 3.200 1.4 0.0 !    n15noefinaladdextra.338
assign (resid 56 and name HN) (resid 54 and name HD2) 5.000 3.2 0.0 !    n15noefinaladdextra.209
assign (resid 55 and name HN) (resid 56 and name HB1) 6.000 4.2 0.0 !    n15noefinaladdextra.336
assign (resid 56 and name HN) (resid 55 and name HA) 5.000 3.2 0.0 !     n15noefinaladdextra.206
assign (resid 56 and name HN) (resid 55 and name HB1) 5.000 3.2 0.0 !    n15noefinaladdextra.208
assign (resid 56 and name HN) (resid 55 and name HN) 3.800 2.0 0.0 !     n15noefinaladdextra.204
assign (resid 56 and name HN) (resid 56 and name HB1) 3.800 2.0 0.0 !    n15noefinaladdextra.207
assign (resid 8 and name HN) (resid 57 and name HA) 3.800 2.0 0.0 !      n15noefinaladdextra.59
assign (resid 9 and name HN) (resid 57 and name HA) 6.000 4.2 0.0 !      n15noefinaladdextra.327
assign (resid 55 and name HN) (resid 57 and name HG1#) 5.500 3.7 0.0 !   n15noefinaladdextra.341
assign (resid 57 and name HN) (resid 55 and name HA) 5.000 3.2 0.0 !     n15noefinaladdextra.357
assign (resid 57 and name HN) (resid 55 and name HB1) 5.000 3.2 0.0 !    n15noefinaladdextra.361
assign (resid 57 and name HN) (resid 55 and name HN) 5.000 3.2 0.0 !     n15noefinaladdextra.355
assign (resid 56 and name HN) (resid 57 and name HG1#) 5.000 3.2 0.0 !   n15noefinaladdextra.211
assign (resid 56 and name HN) (resid 57 and name HG2#) 5.000 3.2 0.0 !   n15noefinaladdextra.210
assign (resid 57 and name HN) (resid 56 and name HB1) 5.000 3.2 0.0 !    n15noefinaladdextra.358
assign (resid 57 and name HN) (resid 56 and name HB2) 5.000 3.2 0.0 !    n15noefinaladdextra.353
assign (resid 56 and name HN) (resid 57 and name HN) 3.200 1.4 0.0 !     n15noefinaladdextra.205
assign (resid 57 and name HN) (resid 57 and name HA) 3.800 2.0 0.0 !     n15noefinaladdextra.356
assign (resid 57 and name HN) (resid 57 and name HB) 5.000 3.2 0.0 !     n15noefinaladdextra.359
assign (resid 57 and name HN) (resid 57 and name HG1#) 5.000 3.2 0.0 !   n15noefinaladdextra.360
assign (resid 57 and name HN) (resid 57 and name HG2#) 3.800 2.0 0.0 !   n15noefinaladdextra.354
assign (resid 58 and name HN) (resid 7 and name HA) 3.800 2.0 0.0 !      n15noefinaladdextra.252
assign (resid 58 and name HN) (resid 7 and name HN) 5.000 3.2 0.0 !      n15noefinaladdextra.247
assign (resid 58 and name HN) (resid 57 and name HA) 3.200 1.4 0.0 !     n15noefinaladdextra.249
assign (resid 58 and name HN) (resid 57 and name HB) 3.200 1.4 0.0 !     n15noefinaladdextra.251
assign (resid 58 and name HN) (resid 57 and name HG2#) 5.000 3.2 0.0 !   n15noefinaladdextra.253
assign (resid 58 and name HN) (resid 57 and name HN) 5.000 3.2 0.0 !     n15noefinaladdextra.248
assign (resid 58 and name HN) (resid 58 and name HB) 3.800 2.0 0.0 !     n15noefinaladdextra.250
assign (resid 6 and name HN) (resid 59 and name HA) 5.000 3.2 0.0 !      n15noefinaladdextra.201
assign (resid 59 and name HN) (resid 58 and name HA) 3.200 1.4 0.0 !     n15noefinaladdextra.22
assign (resid 59 and name HN) (resid 59 and name HA) 3.800 2.0 0.0 !     n15noefinaladdextra.23
assign (resid 59 and name HN) (resid 59 and name HB) 3.200 1.4 0.0 !     n15noefinaladdextra.24
assign (resid 59 and name HN) (resid 59 and name HG1#) 4.600 2.8 0.0 !   n15noefinaladdextra.26
assign (resid 59 and name HN) (resid 59 and name HG2#) 3.800 2.0 0.0 !   n15noefinaladdextra.25
assign (resid 4 and name HN) (resid 60 and name HA) 5.000 3.2 0.0 !      n15noefinaladdextra.63
assign (resid 4 and name HN) (resid 60 and name HN) 5.000 3.2 0.0 !      n15noefinaladdextra.64
!assign (resid 60 and name HN) (resid 5 and name HA) 3.800 2.0 0.8 !      n15noefinaladdextra.0
assign (resid 60 and name HN) (resid 5 and name HG2#) 5.000 3.2 0.0 !    n15noefinaladdextra.5
!assign (resid 59 and name HN) (resid 60 and name HD1#) 6.400 4.6 0.0 !   n15noefinaladdextra.27
assign (resid 60 and name HN) (resid 59 and name HA) 3.200 1.4 0.0 !     n15noefinaladdextra.2
assign (resid 60 and name HN) (resid 59 and name HG1#) 5.000 3.2 0.0 !   n15noefinaladdextra.4
assign (resid 60 and name HN) (resid 60 and name HA) 5.000 3.2 0.0 !     n15noefinaladdextra.1
assign (resid 60 and name HN) (resid 60 and name HB1) 3.200 1.4 0.0 !    n15noefinaladdextra.3
assign (resid 61 and name HN) (resid 4 and name HB) 5.000 3.2 0.0 !      n15noefinaladdextra.176
assign (resid 61 and name HN) (resid 4 and name HN) 3.800 2.0 0.4 !      n15noefinaladdextra.172
!assign (resid 61 and name HN) (resid 5 and name HA) 5.000 3.2 0.0 !      n15noefinaladdextra.173
assign (resid 61 and name HN) (resid 59 and name HG1#) 5.600 3.8 0.0 !   n15noefinaladdextra.177
assign (resid 61 and name HN) (resid 60 and name HA) 3.200 1.4 0.0 !     n15noefinaladdextra.174
assign (resid 61 and name HN) (resid 60 and name HD2#) 5.900 4.1 0.0 !   n15noefinaladdextra.178
assign (resid 61 and name HN) (resid 60 and name HN) 4.200 2.4 0.0 !     n15noefinaladdextra.171
assign (resid 61 and name HN) (resid 61 and name HB1) 3.800 2.0 0.0 !    n15noefinaladdextra.175

assign (resid 40 and name HE#) (resid 53 and name HG2) 7.5 5.7 0.0
assign (resid 40 and name HE#) (resid 52 and name HG21) 6.0 4.2 0.0
assign (resid 40 and name HE#) (resid 5 and name HG21) 6.0 4.2 0.0
assign (resid 40 and name HE#) (resid 54 and name HA) 6.0 4.2 0.0
assign (resid 40 and name HE#) (resid 59 and name HG11) 6.0 4.2 0.0
assign (resid 40 and name HE#) (resid 59 and name HG21) 6.0 4.2 0.0

assign (resid 40 and name HZ2) (resid 53 and name HG2) 7.0 5.2 0.0
assign (resid 40 and name HZ2) (resid 52 and name HG21) 6.0 4.2 0.0
assign (resid 40 and name HZ2) (resid 59 and name HG21) 6.0 4.2 0.0
assign (resid 40 and name HZ2) (resid 59 and name HG11) 6.0 4.2 0.0

assign (resid 40 and name HD1) (resid 53 and name HG2) 7.0 5.2 0.0
assign (resid 40 and name HD1) (resid 52 and name HG21) 6.0 4.2 0.0
assign (resid 40 and name HD1) (resid 5 and name HG21) 6.0 4.2 0.0
assign (resid 40 and name HD1) (resid 29 and name HB) 6.0 4.2 0.0

assign (resid 56 and name HD#) (resid 54 and name HG1) 7.0 5.2 0.0
assign (resid 56 and name HD#) (resid 53 and name HG2) 7.0 5.2 0.0
assign (resid 56 and name HD#) (resid 52 and name HG21) 6.0 4.2 0.0
assign (resid 56 and name HD#) (resid 53 and name HB#) 6.0 4.2 1.6
assign (resid 56 and name HD#) (resid 9 and name HB#) 6.0 4.2 1.6
assign (resid 56 and name HD#) (resid 12 and name HB2) 7.0 5.2 0.0

assign (resid 56 and name HE#) (resid 9 and name HB#) 6.0 4.2 0.0
assign (resid 56 and name HE#) (resid 12 and name HB#) 7.0 5.2 0.0

!assign (resid 21 and name HE#) (resid 49 and name HG11) 6.0 4.2 1.6

assign (resid 21 and name HD#) (resid 48 and name HB2) 7.0 5.2 0.0
assign (resid 21 and name HD#) (resid 48 and name HB1) 7.0 5.2 0.0

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    GLY   1          1HT       GLY   1  16.860  -8.221   3.311
    2   2H    GLY   1          2HT       GLY   1  15.341  -7.484   3.398
    3   3H    GLY   1          3HT       GLY   1  16.591  -6.741   2.536
    4   1HA   GLY   1          1HA       GLY   1  16.594  -8.470   0.896
    5   2HA   GLY   1          2HA       GLY   1  15.403  -9.365   1.825
    6    H    SER   2           H        SER   2  13.253  -8.824   1.685
    7    HA   SER   2           HA       SER   2  12.595  -6.861  -0.404
    8   1HB   SER   2          2HB       SER   2  11.565  -9.513   0.266
    9   2HB   SER   2          1HB       SER   2  10.276  -8.314   0.090
   10    HG   SER   2           HG       SER   2  11.491  -9.561  -1.833
   11    H    HIS   3           H        HIS   3  11.718  -4.999   0.217
   12    HA   HIS   3           HA       HIS   3  10.754  -4.690   2.928
   13   1HB   HIS   3          2HB       HIS   3  10.107  -2.326   1.832
   14   2HB   HIS   3          1HB       HIS   3  11.721  -2.694   2.417
   15    HD1  HIS   3           1HD      HIS   3   9.750  -2.324  -0.761
   16    HD2  HIS   3           2HD      HIS   3  13.694  -2.780   0.464
   17    HE1  HIS   3           1HE      HIS   3  11.143  -1.900  -2.811
   18    HE2  HIS   3           2HE      HIS   3  13.523  -2.255  -2.064
   19    H    VAL   4           H        VAL   4   8.715  -4.910   3.548
   20    HA   VAL   4           HA       VAL   4   6.639  -4.845   1.458
   21    HB   VAL   4           HB       VAL   4   5.977  -6.602   3.682
   22   1HG1  VAL   4          1HG1      VAL   4   6.118  -6.926   0.687
   23   2HG1  VAL   4          2HG1      VAL   4   4.687  -6.576   1.656
   24   3HG1  VAL   4          3HG1      VAL   4   5.480  -8.147   1.786
   25   1HG2  VAL   4          1HG2      VAL   4   8.274  -7.455   1.926
   26   2HG2  VAL   4          2HG2      VAL   4   7.488  -8.406   3.186
   27   3HG2  VAL   4          3HG2      VAL   4   8.427  -6.979   3.617
   28    H    VAL   5           H        VAL   5   4.423  -4.602   2.379
   29    HA   VAL   5           HA       VAL   5   4.441  -2.992   4.824
   30    HB   VAL   5           HB       VAL   5   4.181  -1.162   3.601
   31   1HG1  VAL   5          1HG1      VAL   5   4.282  -1.095   1.370
   32   2HG1  VAL   5          2HG1      VAL   5   2.955  -2.230   1.157
   33   3HG1  VAL   5          3HG1      VAL   5   4.571  -2.818   1.530
   34   1HG2  VAL   5          1HG2      VAL   5   1.930  -0.581   2.868
   35   2HG2  VAL   5          2HG2      VAL   5   1.928  -1.358   4.452
   36   3HG2  VAL   5          3HG2      VAL   5   1.450  -2.271   3.019
   37    H    GLN   6           H        GLN   6   2.435  -2.783   5.907
   38    HA   GLN   6           HA       GLN   6   0.455  -4.864   5.252
   39   1HB   GLN   6          2HB       GLN   6   2.304  -5.162   7.251
   40   2HB   GLN   6          1HB       GLN   6   0.958  -4.432   8.122
   41   1HG   GLN   6          2HG       GLN   6  -0.469  -6.209   7.673
   42   2HG   GLN   6          1HG       GLN   6   0.524  -6.790   6.337
   43   1HE2  GLN   6          1HE2      GLN   6   0.217  -8.841   7.516
   44   2HE2  GLN   6          2HE2      GLN   6   1.336  -9.233   8.773
   45    H    THR   7           H        THR   7  -1.712  -4.487   6.128
   46    HA   THR   7           HA       THR   7  -2.082  -1.626   6.785
   47    HB   THR   7           HB       THR   7  -4.546  -2.273   6.072
   48    HG1  THR   7           1HG      THR   7  -2.911  -4.062   4.599
   49   1HG2  THR   7          1HG2      THR   7  -4.109  -1.472   3.840
   50   2HG2  THR   7          2HG2      THR   7  -2.383  -1.756   4.053
   51   3HG2  THR   7          3HG2      THR   7  -3.200  -0.533   5.020
   52    H    LEU   8           H        LEU   8  -3.930  -1.080   8.101
   53    HA   LEU   8           HA       LEU   8  -4.625  -3.125  10.082
   54   1HB   LEU   8          2HB       LEU   8  -4.574  -0.865  11.587
   55   2HB   LEU   8          1HB       LEU   8  -3.296  -2.058  11.533
   56    HG   LEU   8           HG       LEU   8  -2.439   0.234  11.367
   57   1HD1  LEU   8          1HD1      LEU   8  -1.508  -1.851  10.075
   58   2HD1  LEU   8          2HD1      LEU   8  -0.817  -0.243   9.859
   59   3HD1  LEU   8          3HD1      LEU   8  -1.945  -0.882   8.670
   60   1HD2  LEU   8          1HD2      LEU   8  -4.608   0.854   9.962
   61   2HD2  LEU   8          2HD2      LEU   8  -3.484   0.588   8.634
   62   3HD2  LEU   8          3HD2      LEU   8  -3.112   1.782   9.871
   63    H    TYR   9           H        TYR   9  -5.448  -0.116   8.462
   64    HA   TYR   9           HA       TYR   9  -8.243  -0.482   9.311
   65   1HB   TYR   9          2HB       TYR   9  -6.740   2.104   8.844
   66   2HB   TYR   9          1HB       TYR   9  -8.476   2.004   9.111
   67    HD1  TYR   9           1HD      TYR   9  -6.007   3.301  10.721
   68    HD2  TYR   9           2HD      TYR   9  -8.530  -0.082  11.259
   69    HE1  TYR   9           1HE      TYR   9  -5.629   3.412  13.148
   70    HE2  TYR   9           2HE      TYR   9  -8.160   0.020  13.687
   71    HH   TYR   9           HH       TYR   9  -7.311   2.367  15.323
   72    HA   PRO  10           HA       PRO  10  -8.801  -0.802   4.862
   73   1HB   PRO  10          2HB       PRO  10 -11.492  -1.117   4.887
   74   2HB   PRO  10          1HB       PRO  10 -10.381  -2.425   5.309
   75   1HG   PRO  10          2HG       PRO  10 -11.929  -0.600   7.107
   76   2HG   PRO  10          1HG       PRO  10 -11.668  -2.348   7.243
   77   1HD   PRO  10          2HD       PRO  10 -10.258  -0.533   8.687
   78   2HD   PRO  10          1HD       PRO  10  -9.579  -2.091   8.175
   79    H    PHE  11           H        PHE  11  -8.201   1.663   5.446
   80    HA   PHE  11           HA       PHE  11 -10.444   3.449   5.078
   81   1HB   PHE  11          2HB       PHE  11  -7.594   3.756   5.822
   82   2HB   PHE  11          1HB       PHE  11  -8.371   5.116   5.019
   83    HD1  PHE  11           1HD      PHE  11 -10.770   5.707   6.003
   84    HD2  PHE  11           2HD      PHE  11  -7.667   3.701   8.115
   85    HE1  PHE  11           1HE      PHE  11 -11.774   6.408   8.136
   86    HE2  PHE  11           2HE      PHE  11  -8.667   4.397  10.252
   87    HZ   PHE  11           HZ       PHE  11 -10.724   5.752  10.265
   88    H    SER  12           H        SER  12 -10.558   5.021   3.455
   89    HA   SER  12           HA       SER  12  -9.727   4.019   0.848
   90   1HB   SER  12          2HB       SER  12 -11.796   5.900   1.881
   91   2HB   SER  12          1HB       SER  12 -11.358   5.943   0.170
   92    HG   SER  12           HG       SER  12 -13.140   4.512   0.706
   93    H    SER  13           H        SER  13  -8.834   5.337  -0.765
   94    HA   SER  13           HA       SER  13  -7.035   7.409   0.215
   95   1HB   SER  13          2HB       SER  13  -7.205   5.700  -2.224
   96   2HB   SER  13          1HB       SER  13  -6.416   7.270  -2.384
   97    HG   SER  13           HG       SER  13  -5.675   5.047  -0.840
   98    H    VAL  14           H        VAL  14  -6.754   9.361  -1.392
   99    HA   VAL  14           HA       VAL  14  -9.405  10.212  -2.333
  100    HB   VAL  14           HB       VAL  14  -8.935  12.500  -1.468
  101   1HG1  VAL  14          1HG1      VAL  14  -8.894  10.719   0.902
  102   2HG1  VAL  14          2HG1      VAL  14 -10.178  10.477  -0.281
  103   3HG1  VAL  14          3HG1      VAL  14  -9.984  12.046   0.500
  104   1HG2  VAL  14          1HG2      VAL  14  -7.275  12.436   0.536
  105   2HG2  VAL  14          2HG2      VAL  14  -6.659  12.668  -1.100
  106   3HG2  VAL  14          3HG2      VAL  14  -6.560  11.081  -0.337
  107    H    THR  15           H        THR  15  -5.969  11.269  -2.365
  108    HA   THR  15           HA       THR  15  -6.046  12.994  -4.462
  109    HB   THR  15           HB       THR  15  -3.821  12.997  -4.329
  110    HG1  THR  15           1HG      THR  15  -2.869  11.493  -5.393
  111   1HG2  THR  15          1HG2      THR  15  -4.076  10.822  -2.287
  112   2HG2  THR  15          2HG2      THR  15  -4.366  12.532  -1.976
  113   3HG2  THR  15          3HG2      THR  15  -2.760  11.981  -2.453
  114    H    GLU  16           H        GLU  16  -5.390  12.816  -6.706
  115    HA   GLU  16           HA       GLU  16  -6.930  10.871  -8.084
  116   1HB   GLU  16          2HB       GLU  16  -5.693  13.344  -8.683
  117   2HB   GLU  16          1HB       GLU  16  -5.073  12.172  -9.837
  118   1HG   GLU  16          2HG       GLU  16  -7.814  11.689  -9.716
  119   2HG   GLU  16          1HG       GLU  16  -7.651  13.444  -9.708
  120    H    GLU  17           H        GLU  17  -3.528  11.127  -7.293
  121    HA   GLU  17           HA       GLU  17  -2.817   8.934  -9.067
  122   1HB   GLU  17          2HB       GLU  17  -0.998  10.105  -6.976
  123   2HB   GLU  17          1HB       GLU  17  -0.571   9.314  -8.485
  124   1HG   GLU  17          2HG       GLU  17  -0.157  11.463  -9.040
  125   2HG   GLU  17          1HG       GLU  17  -1.845  11.352  -9.540
  126    H    GLU  18           H        GLU  18  -4.710   8.538  -6.793
  127    HA   GLU  18           HA       GLU  18  -3.171   6.594  -5.242
  128   1HB   GLU  18          2HB       GLU  18  -5.830   7.832  -4.569
  129   2HB   GLU  18          1HB       GLU  18  -4.911   6.719  -3.567
  130   1HG   GLU  18          2HG       GLU  18  -3.201   8.872  -4.207
  131   2HG   GLU  18          1HG       GLU  18  -4.748   9.559  -3.718
  132    H    LEU  19           H        LEU  19  -4.906   4.925  -4.291
  133    HA   LEU  19           HA       LEU  19  -6.560   3.903  -6.477
  134   1HB   LEU  19          2HB       LEU  19  -4.077   2.781  -5.558
  135   2HB   LEU  19          1HB       LEU  19  -5.389   1.665  -5.229
  136    HG   LEU  19           HG       LEU  19  -6.053   1.991  -7.662
  137   1HD1  LEU  19          1HD1      LEU  19  -4.785   3.099  -9.117
  138   2HD1  LEU  19          2HD1      LEU  19  -3.282   2.631  -8.322
  139   3HD1  LEU  19          3HD1      LEU  19  -4.241   3.961  -7.680
  140   1HD2  LEU  19          1HD2      LEU  19  -4.987   0.067  -8.140
  141   2HD2  LEU  19          2HD2      LEU  19  -4.557   0.138  -6.430
  142   3HD2  LEU  19          3HD2      LEU  19  -3.418   0.702  -7.649
  143    H    ASN  20           H        ASN  20  -8.441   2.956  -5.803
  144    HA   ASN  20           HA       ASN  20  -8.804   2.792  -2.881
  145   1HB   ASN  20          2HB       ASN  20 -11.319   2.991  -3.593
  146   2HB   ASN  20          1HB       ASN  20 -10.311   4.430  -3.501
  147   1HD2  ASN  20          1HD2      ASN  20 -11.168   1.890  -5.829
  148   2HD2  ASN  20          2HD2      ASN  20 -11.339   2.951  -7.182
  149    H    PHE  21           H        PHE  21  -8.421   0.738  -2.424
  150    HA   PHE  21           HA       PHE  21 -10.200  -1.308  -3.564
  151   1HB   PHE  21          2HB       PHE  21  -7.248  -1.672  -2.988
  152   2HB   PHE  21          1HB       PHE  21  -8.357  -2.945  -3.483
  153    HD1  PHE  21           1HD      PHE  21  -5.785  -2.157  -4.870
  154    HD2  PHE  21           2HD      PHE  21  -9.820  -0.956  -5.475
  155    HE1  PHE  21           1HE      PHE  21  -5.288  -1.665  -7.222
  156    HE2  PHE  21           2HE      PHE  21  -9.326  -0.448  -7.827
  157    HZ   PHE  21           HZ       PHE  21  -7.053  -0.805  -8.707
  158    H    GLU  22           H        GLU  22 -10.415  -3.206  -1.984
  159    HA   GLU  22           HA       GLU  22 -10.639  -2.092   0.667
  160   1HB   GLU  22          2HB       GLU  22 -12.464  -3.417   0.350
  161   2HB   GLU  22          1HB       GLU  22 -11.626  -4.489  -0.759
  162   1HG   GLU  22          2HG       GLU  22 -12.342  -5.611   1.297
  163   2HG   GLU  22          1HG       GLU  22 -10.596  -5.648   1.068
  164    H    LYS  23           H        LYS  23  -8.647  -1.798   1.498
  165    HA   LYS  23           HA       LYS  23  -6.601  -3.796   1.397
  166   1HB   LYS  23          2HB       LYS  23  -6.767  -1.032   2.054
  167   2HB   LYS  23          1HB       LYS  23  -6.023  -1.872   3.403
  168   1HG   LYS  23          2HG       LYS  23  -5.122  -2.057   0.536
  169   2HG   LYS  23          1HG       LYS  23  -4.386  -1.033   1.771
  170   1HD   LYS  23          2HD       LYS  23  -4.233  -3.302   3.085
  171   2HD   LYS  23          1HD       LYS  23  -4.323  -3.998   1.473
  172   1HE   LYS  23          2HE       LYS  23  -2.346  -2.937   0.786
  173   2HE   LYS  23          1HE       LYS  23  -2.369  -1.824   2.150
  174   1HZ   LYS  23          1HZ       LYS  23  -2.252  -4.639   2.841
  175   2HZ   LYS  23          2HZ       LYS  23  -1.413  -3.328   3.500
  176   3HZ   LYS  23          3HZ       LYS  23  -0.880  -4.033   2.062
  177    H    GLY  24           H        GLY  24  -5.850  -5.108   3.039
  178   1HA   GLY  24          2HA       GLY  24  -6.996  -5.013   5.674
  179   2HA   GLY  24          1HA       GLY  24  -7.611  -6.352   4.716
  180    H    GLU  25           H        GLU  25  -5.257  -6.926   3.286
  181    HA   GLU  25           HA       GLU  25  -3.749  -8.257   5.373
  182   1HB   GLU  25          2HB       GLU  25  -4.780  -9.200   3.061
  183   2HB   GLU  25          1HB       GLU  25  -3.146  -8.810   2.536
  184   1HG   GLU  25          2HG       GLU  25  -2.470 -10.075   4.711
  185   2HG   GLU  25          1HG       GLU  25  -4.077 -10.786   4.541
  186    H    THR  26           H        THR  26  -1.482  -8.618   3.416
  187    HA   THR  26           HA       THR  26  -0.213  -6.033   3.955
  188    HB   THR  26           HB       THR  26   1.642  -7.090   4.607
  189    HG1  THR  26           1HG      THR  26   2.471  -7.805   2.766
  190   1HG2  THR  26          1HG2      THR  26  -0.326  -8.525   5.558
  191   2HG2  THR  26          2HG2      THR  26   1.350  -9.034   5.762
  192   3HG2  THR  26          3HG2      THR  26   0.353  -9.764   4.502
  193    H    MET  27           H        MET  27   1.039  -5.025   2.482
  194    HA   MET  27           HA       MET  27   1.101  -6.038  -0.265
  195   1HB   MET  27          2HB       MET  27   0.132  -3.329   0.647
  196   2HB   MET  27          1HB       MET  27   0.734  -3.598  -0.982
  197   1HG   MET  27          2HG       MET  27  -1.603  -5.001   0.292
  198   2HG   MET  27          1HG       MET  27  -1.687  -3.714  -0.910
  199   1HE   MET  27          1HE       MET  27  -1.233  -7.971  -0.962
  200   2HE   MET  27          2HE       MET  27  -2.707  -7.467  -1.790
  201   3HE   MET  27          3HE       MET  27  -2.333  -6.831  -0.187
  202    H    GLU  28           H        GLU  28   2.773  -4.775  -1.554
  203    HA   GLU  28           HA       GLU  28   5.008  -4.069   0.233
  204   1HB   GLU  28          2HB       GLU  28   5.536  -4.841  -2.574
  205   2HB   GLU  28          1HB       GLU  28   6.488  -5.132  -1.136
  206   1HG   GLU  28          2HG       GLU  28   4.534  -6.751  -0.522
  207   2HG   GLU  28          1HG       GLU  28   4.216  -6.696  -2.255
  208    H    VAL  29           H        VAL  29   5.674  -2.064   0.185
  209    HA   VAL  29           HA       VAL  29   4.770  -0.301  -1.941
  210    HB   VAL  29           HB       VAL  29   5.773   0.089   0.837
  211   1HG1  VAL  29          1HG1      VAL  29   5.813   2.565   0.389
  212   2HG1  VAL  29          2HG1      VAL  29   5.893   2.166  -1.328
  213   3HG1  VAL  29          3HG1      VAL  29   7.181   1.647  -0.239
  214   1HG2  VAL  29          1HG2      VAL  29   3.589   1.653  -0.406
  215   2HG2  VAL  29          2HG2      VAL  29   3.724   0.981   1.220
  216   3HG2  VAL  29          3HG2      VAL  29   3.323  -0.070  -0.138
  217    H    ILE  30           H        ILE  30   5.997   0.411  -3.494
  218    HA   ILE  30           HA       ILE  30   8.813  -0.327  -3.586
  219    HB   ILE  30           HB       ILE  30   8.521   0.809  -5.952
  220   1HG1  ILE  30          2HG1      ILE  30   6.066   1.393  -5.073
  221   2HG1  ILE  30          1HG1      ILE  30   6.397   1.083  -6.763
  222   1HG2  ILE  30          1HG2      ILE  30   7.907  -1.360  -6.874
  223   2HG2  ILE  30          2HG2      ILE  30   7.363  -1.890  -5.283
  224   3HG2  ILE  30          3HG2      ILE  30   9.067  -1.530  -5.557
  225   1HD1  ILE  30          1HD1      ILE  30   4.405  -0.072  -6.106
  226   2HD1  ILE  30          2HD1      ILE  30   5.257  -0.861  -4.780
  227   3HD1  ILE  30          3HD1      ILE  30   5.672  -1.247  -6.449
  228    H    GLU  31           H        GLU  31   6.778   2.552  -3.673
  229    HA   GLU  31           HA       GLU  31   9.081   4.306  -3.883
  230   1HB   GLU  31          2HB       GLU  31   7.023   4.848  -5.102
  231   2HB   GLU  31          1HB       GLU  31   6.138   4.928  -3.586
  232   1HG   GLU  31          2HG       GLU  31   7.615   6.796  -2.889
  233   2HG   GLU  31          1HG       GLU  31   8.346   6.755  -4.492
  234    H    LYS  32           H        LYS  32  10.203   4.909  -2.161
  235    HA   LYS  32           HA       LYS  32   8.929   4.795   0.476
  236   1HB   LYS  32          2HB       LYS  32  11.685   4.431  -0.519
  237   2HB   LYS  32          1HB       LYS  32  11.545   5.288   1.009
  238   1HG   LYS  32          2HG       LYS  32  11.869   2.879   1.312
  239   2HG   LYS  32          1HG       LYS  32  10.336   3.439   1.983
  240   1HD   LYS  32          2HD       LYS  32  10.028   1.343   0.788
  241   2HD   LYS  32          1HD       LYS  32   9.179   2.652  -0.036
  242   1HE   LYS  32          2HE       LYS  32  10.490   1.046  -1.500
  243   2HE   LYS  32          1HE       LYS  32  10.792   2.766  -1.743
  244   1HZ   LYS  32          1HZ       LYS  32  12.815   2.615  -0.536
  245   2HZ   LYS  32          2HZ       LYS  32  12.821   1.351  -1.660
  246   3HZ   LYS  32          3HZ       LYS  32  12.486   1.032  -0.033
  247    HA   PRO  33           HA       PRO  33   8.993   9.194   0.797
  248   1HB   PRO  33          2HB       PRO  33   9.120   9.181   3.656
  249   2HB   PRO  33          1HB       PRO  33   7.689   9.312   2.633
  250   1HG   PRO  33          2HG       PRO  33   8.269   7.158   4.265
  251   2HG   PRO  33          1HG       PRO  33   7.177   7.107   2.870
  252   1HD   PRO  33          2HD       PRO  33  10.031   6.232   3.080
  253   2HD   PRO  33          1HD       PRO  33   8.678   5.482   2.204
  254    H    GLU  34           H        GLU  34  11.738   7.535   1.313
  255    HA   GLU  34           HA       GLU  34  13.198   9.635   2.694
  256   1HB   GLU  34          2HB       GLU  34  15.172   7.979   1.979
  257   2HB   GLU  34          1HB       GLU  34  14.180   7.717   3.403
  258   1HG   GLU  34          2HG       GLU  34  14.491   5.668   2.144
  259   2HG   GLU  34          1HG       GLU  34  12.797   6.147   2.176
  260    H    ASN  35           H        ASN  35  12.717   8.435  -0.536
  261    HA   ASN  35           HA       ASN  35  14.495  10.561  -1.539
  262   1HB   ASN  35          2HB       ASN  35  13.880   7.938  -2.917
  263   2HB   ASN  35          1HB       ASN  35  14.995   9.183  -3.475
  264   1HD2  ASN  35          1HD2      ASN  35  15.729   6.530  -3.111
  265   2HD2  ASN  35          2HD2      ASN  35  16.867   6.441  -1.815
  266    H    ASP  36           H        ASP  36  11.495   8.789  -1.944
  267    HA   ASP  36           HA       ASP  36  10.601  10.645  -4.018
  268   1HB   ASP  36          2HB       ASP  36   9.821   7.921  -3.146
  269   2HB   ASP  36          1HB       ASP  36   8.517   8.955  -3.722
  270    HA   PRO  37           HA       PRO  37   7.862  13.228  -1.757
  271   1HB   PRO  37          2HB       PRO  37   5.348  12.199  -2.617
  272   2HB   PRO  37          1HB       PRO  37   6.204  13.612  -3.235
  273   1HG   PRO  37          2HG       PRO  37   6.091  10.854  -4.306
  274   2HG   PRO  37          1HG       PRO  37   6.341  12.385  -5.160
  275   1HD   PRO  37          2HD       PRO  37   8.347  10.647  -4.769
  276   2HD   PRO  37          1HD       PRO  37   8.617  12.402  -4.722
  277    H    GLU  38           H        GLU  38   5.854  13.161  -0.283
  278    HA   GLU  38           HA       GLU  38   6.350  11.264   1.760
  279   1HB   GLU  38          2HB       GLU  38   4.975  13.714   1.503
  280   2HB   GLU  38          1HB       GLU  38   3.805  12.547   2.104
  281   1HG   GLU  38          2HG       GLU  38   4.626  13.130   4.102
  282   2HG   GLU  38          1HG       GLU  38   5.904  11.986   3.695
  283    H    TRP  39           H        TRP  39   4.662  10.838  -1.077
  284    HA   TRP  39           HA       TRP  39   2.771   8.948   0.143
  285   1HB   TRP  39          2HB       TRP  39   2.556   9.414  -2.755
  286   2HB   TRP  39          1HB       TRP  39   1.300   9.394  -1.524
  287    HD1  TRP  39           HD       TRP  39   1.301  11.787   0.058
  288    HE1  TRP  39           1HE      TRP  39   1.506  14.202  -0.811
  289    HE3  TRP  39           3HE      TRP  39   3.418  10.834  -4.497
  290    HZ2  TRP  39           2HZ      TRP  39   2.440  15.527  -3.123
  291    HZ3  TRP  39           3HZ      TRP  39   3.936  12.730  -5.978
  292    HH2  TRP  39           HH       TRP  39   3.456  15.028  -5.303
  293    H    TRP  40           H        TRP  40   2.678   6.802  -0.532
  294    HA   TRP  40           HA       TRP  40   4.893   5.919  -2.251
  295   1HB   TRP  40          2HB       TRP  40   5.092   3.884  -0.874
  296   2HB   TRP  40          1HB       TRP  40   5.475   5.341   0.024
  297    HD1  TRP  40           HD       TRP  40   1.802   4.457  -0.402
  298    HE1  TRP  40           1HE      TRP  40   0.845   3.687   1.861
  299    HE3  TRP  40           3HE      TRP  40   6.146   4.199   2.249
  300    HZ2  TRP  40           2HZ      TRP  40   1.829   3.049   4.425
  301    HZ3  TRP  40           3HZ      TRP  40   6.058   3.507   4.604
  302    HH2  TRP  40           HH       TRP  40   3.934   2.949   5.671
  303    H    LYS  41           H        LYS  41   4.469   3.586  -3.071
  304    HA   LYS  41           HA       LYS  41   1.647   3.068  -3.496
  305   1HB   LYS  41          2HB       LYS  41   2.027   2.835  -5.961
  306   2HB   LYS  41          1HB       LYS  41   2.011   4.473  -5.338
  307   1HG   LYS  41          2HG       LYS  41   3.814   4.580  -6.696
  308   2HG   LYS  41          1HG       LYS  41   4.611   4.080  -5.213
  309   1HD   LYS  41          2HD       LYS  41   5.494   2.637  -6.786
  310   2HD   LYS  41          1HD       LYS  41   4.180   1.707  -6.079
  311   1HE   LYS  41          2HE       LYS  41   4.618   2.297  -8.792
  312   2HE   LYS  41          1HE       LYS  41   3.270   1.421  -8.071
  313   1HZ   LYS  41          1HZ       LYS  41   3.423   4.347  -8.580
  314   2HZ   LYS  41          2HZ       LYS  41   2.156   3.590  -7.756
  315   3HZ   LYS  41          3HZ       LYS  41   2.439   3.228  -9.381
  316    H    CYS  42           H        CYS  42   1.102   0.985  -3.776
  317    HA   CYS  42           HA       CYS  42   3.252  -0.953  -4.210
  318   1HB   CYS  42          2HB       CYS  42   2.118  -2.448  -2.500
  319   2HB   CYS  42          1HB       CYS  42   2.986  -1.067  -1.839
  320    HG   CYS  42           HG       CYS  42   0.899  -0.276  -0.834
  321    H    LYS  43           H        LYS  43   2.462  -3.042  -4.970
  322    HA   LYS  43           HA       LYS  43   0.128  -2.702  -6.671
  323   1HB   LYS  43          2HB       LYS  43   0.925  -4.876  -7.676
  324   2HB   LYS  43          1HB       LYS  43   2.026  -3.513  -7.829
  325   1HG   LYS  43          2HG       LYS  43   3.451  -4.355  -6.136
  326   2HG   LYS  43          1HG       LYS  43   2.267  -5.570  -5.651
  327   1HD   LYS  43          2HD       LYS  43   2.628  -6.859  -7.569
  328   2HD   LYS  43          1HD       LYS  43   3.401  -5.524  -8.428
  329   1HE   LYS  43          2HE       LYS  43   4.727  -6.336  -5.935
  330   2HE   LYS  43          1HE       LYS  43   4.732  -7.554  -7.210
  331   1HZ   LYS  43          1HZ       LYS  43   6.651  -5.919  -7.157
  332   2HZ   LYS  43          2HZ       LYS  43   5.558  -4.759  -7.723
  333   3HZ   LYS  43          3HZ       LYS  43   5.881  -6.138  -8.648
  334    H    ASN  44           H        ASN  44  -1.703  -3.753  -6.538
  335    HA   ASN  44           HA       ASN  44  -2.115  -5.629  -4.316
  336   1HB   ASN  44          2HB       ASN  44  -3.453  -3.302  -4.795
  337   2HB   ASN  44          1HB       ASN  44  -4.462  -4.445  -5.659
  338   1HD2  ASN  44          1HD2      ASN  44  -5.660  -5.919  -4.538
  339   2HD2  ASN  44          2HD2      ASN  44  -5.821  -5.899  -2.817
  340    H    ALA  45           H        ALA  45  -4.070  -7.114  -4.854
  341    HA   ALA  45           HA       ALA  45  -3.312  -8.594  -7.187
  342   1HB   ALA  45          1HB       ALA  45  -5.407  -8.952  -5.071
  343   2HB   ALA  45          2HB       ALA  45  -3.997  -9.954  -5.414
  344   3HB   ALA  45          3HB       ALA  45  -5.382  -9.976  -6.507
  345    H    ARG  46           H        ARG  46  -4.816  -5.829  -6.939
  346    HA   ARG  46           HA       ARG  46  -7.139  -6.170  -8.589
  347   1HB   ARG  46          2HB       ARG  46  -5.909  -4.174  -6.901
  348   2HB   ARG  46          1HB       ARG  46  -6.372  -3.468  -8.435
  349   1HG   ARG  46          2HG       ARG  46  -8.096  -3.126  -6.906
  350   2HG   ARG  46          1HG       ARG  46  -8.674  -4.325  -8.059
  351   1HD   ARG  46          2HD       ARG  46  -7.895  -4.634  -5.177
  352   2HD   ARG  46          1HD       ARG  46  -9.392  -5.098  -5.976
  353    HE   ARG  46           HE       ARG  46  -6.929  -6.622  -5.890
  354   1HH1  ARG  46          1HH1      ARG  46 -10.057  -6.203  -7.387
  355   2HH1  ARG  46          2HH1      ARG  46 -10.159  -7.846  -7.922
  356   1HH2  ARG  46          1HH2      ARG  46  -7.074  -8.792  -6.590
  357   2HH2  ARG  46          2HH2      ARG  46  -8.469  -9.311  -7.474
  358    H    GLY  47           H        GLY  47  -3.808  -5.939  -9.165
  359   1HA   GLY  47          2HA       GLY  47  -2.729  -5.918 -11.231
  360   2HA   GLY  47          1HA       GLY  47  -4.248  -5.470 -11.993
  361    H    GLN  48           H        GLN  48  -4.325  -3.301  -9.736
  362    HA   GLN  48           HA       GLN  48  -2.597  -1.369 -11.121
  363   1HB   GLN  48          2HB       GLN  48  -4.916  -0.830 -11.567
  364   2HB   GLN  48          1HB       GLN  48  -5.321  -0.960  -9.869
  365   1HG   GLN  48          2HG       GLN  48  -5.039   1.229  -9.741
  366   2HG   GLN  48          1HG       GLN  48  -3.314   0.958  -9.972
  367   1HE2  GLN  48          1HE2      GLN  48  -6.308   1.859 -11.496
  368   2HE2  GLN  48          2HE2      GLN  48  -5.611   2.523 -12.931
  369    H    VAL  49           H        VAL  49  -1.327  -0.060  -9.905
  370    HA   VAL  49           HA       VAL  49  -1.604  -0.298  -6.984
  371    HB   VAL  49           HB       VAL  49   0.447  -1.246  -7.069
  372   1HG1  VAL  49          1HG1      VAL  49   2.134  -0.678  -8.888
  373   2HG1  VAL  49          2HG1      VAL  49   0.767   0.072  -9.713
  374   3HG1  VAL  49          3HG1      VAL  49   0.725  -1.646  -9.317
  375   1HG2  VAL  49          1HG2      VAL  49   2.203   0.306  -6.646
  376   2HG2  VAL  49          2HG2      VAL  49   0.709   1.012  -6.029
  377   3HG2  VAL  49          3HG2      VAL  49   1.378   1.568  -7.562
  378    H    GLY  50           H        GLY  50  -1.987   1.543  -6.000
  379   1HA   GLY  50          2HA       GLY  50  -1.385   4.030  -7.466
  380   2HA   GLY  50          1HA       GLY  50  -2.788   3.830  -6.436
  381    H    LEU  51           H        LEU  51  -2.036   5.717  -5.357
  382    HA   LEU  51           HA       LEU  51   0.319   5.323  -3.683
  383   1HB   LEU  51          2HB       LEU  51  -1.132   7.654  -4.705
  384   2HB   LEU  51          1HB       LEU  51  -0.662   7.797  -3.024
  385    HG   LEU  51           HG       LEU  51   1.622   7.731  -3.518
  386   1HD1  LEU  51          1HD1      LEU  51   0.828   6.025  -5.681
  387   2HD1  LEU  51          2HD1      LEU  51   2.424   6.262  -4.969
  388   3HD1  LEU  51          3HD1      LEU  51   1.882   7.303  -6.282
  389   1HD2  LEU  51          1HD2      LEU  51   1.095   9.847  -4.158
  390   2HD2  LEU  51          2HD2      LEU  51   0.007   9.309  -5.438
  391   3HD2  LEU  51          3HD2      LEU  51   1.753   9.239  -5.677
  392    H    VAL  52           H        VAL  52  -0.045   4.261  -1.869
  393    HA   VAL  52           HA       VAL  52  -2.652   4.428  -0.588
  394    HB   VAL  52           HB       VAL  52  -1.965   2.197  -0.669
  395   1HG1  VAL  52          1HG1      VAL  52   0.629   3.237  -0.720
  396   2HG1  VAL  52          2HG1      VAL  52   0.140   1.565  -0.911
  397   3HG1  VAL  52          3HG1      VAL  52   0.565   2.179   0.683
  398   1HG2  VAL  52          1HG2      VAL  52  -2.380   3.347   1.774
  399   2HG2  VAL  52          2HG2      VAL  52  -0.859   2.494   2.030
  400   3HG2  VAL  52          3HG2      VAL  52  -2.281   1.612   1.476
  401    HA   PRO  53           HA       PRO  53  -1.201   7.386   2.407
  402   1HB   PRO  53          2HB       PRO  53  -3.312   7.347   4.037
  403   2HB   PRO  53          1HB       PRO  53  -3.468   7.976   2.386
  404   1HG   PRO  53          2HG       PRO  53  -4.029   5.190   3.377
  405   2HG   PRO  53          1HG       PRO  53  -5.144   6.284   2.515
  406   1HD   PRO  53          2HD       PRO  53  -3.794   4.423   1.190
  407   2HD   PRO  53          1HD       PRO  53  -3.966   6.054   0.504
  408    H    LYS  54           H        LYS  54   0.490   6.553   3.534
  409    HA   LYS  54           HA       LYS  54   0.692   4.225   4.973
  410   1HB   LYS  54          2HB       LYS  54   2.527   5.304   6.157
  411   2HB   LYS  54          1HB       LYS  54   2.556   5.681   4.433
  412   1HG   LYS  54          2HG       LYS  54   2.559   7.816   4.930
  413   2HG   LYS  54          1HG       LYS  54   0.949   7.636   5.635
  414   1HD   LYS  54          2HD       LYS  54   1.868   7.197   7.794
  415   2HD   LYS  54          1HD       LYS  54   3.509   7.111   7.147
  416   1HE   LYS  54          2HE       LYS  54   2.873   9.569   6.327
  417   2HE   LYS  54          1HE       LYS  54   1.811   9.470   7.731
  418   1HZ   LYS  54          1HZ       LYS  54   4.700   9.644   7.606
  419   2HZ   LYS  54          2HZ       LYS  54   4.100   8.554   8.751
  420   3HZ   LYS  54          3HZ       LYS  54   3.633  10.178   8.805
  421    H    ASN  55           H        ASN  55  -0.955   7.115   5.812
  422    HA   ASN  55           HA       ASN  55  -0.973   6.838   8.631
  423   1HB   ASN  55          2HB       ASN  55  -1.552   8.902   7.196
  424   2HB   ASN  55          1HB       ASN  55  -3.149   8.174   7.052
  425   1HD2  ASN  55          1HD2      ASN  55  -4.300   9.612   8.218
  426   2HD2  ASN  55          2HD2      ASN  55  -4.061   9.911   9.903
  427    H    TYR  56           H        TYR  56  -2.441   5.060   6.214
  428    HA   TYR  56           HA       TYR  56  -4.506   4.072   8.059
  429   1HB   TYR  56          2HB       TYR  56  -4.463   4.203   5.040
  430   2HB   TYR  56          1HB       TYR  56  -5.665   3.305   5.956
  431    HD1  TYR  56           1HD      TYR  56  -5.838   5.398   8.229
  432    HD2  TYR  56           2HD      TYR  56  -6.040   5.702   3.996
  433    HE1  TYR  56           1HE      TYR  56  -7.216   7.411   8.455
  434    HE2  TYR  56           2HE      TYR  56  -7.415   7.724   4.206
  435    HH   TYR  56           HH       TYR  56  -7.688   9.582   6.118
  436    H    VAL  57           H        VAL  57  -1.539   3.356   7.338
  437    HA   VAL  57           HA       VAL  57  -2.005   0.490   7.490
  438    HB   VAL  57           HB       VAL  57  -1.075  -0.160   5.529
  439   1HG1  VAL  57          1HG1      VAL  57  -1.667   2.687   4.736
  440   2HG1  VAL  57          2HG1      VAL  57  -2.876   1.415   4.905
  441   3HG1  VAL  57          3HG1      VAL  57  -1.620   1.280   3.675
  442   1HG2  VAL  57          1HG2      VAL  57   1.148   0.469   5.790
  443   2HG2  VAL  57          2HG2      VAL  57   0.756   2.188   5.852
  444   3HG2  VAL  57          3HG2      VAL  57   0.666   1.319   4.321
  445    H    VAL  58           H        VAL  58   0.209  -0.666   7.508
  446    HA   VAL  58           HA       VAL  58   2.260   0.849   8.939
  447    HB   VAL  58           HB       VAL  58   0.890  -0.200  10.701
  448   1HG1  VAL  58          1HG1      VAL  58   0.330  -2.174   9.050
  449   2HG1  VAL  58          2HG1      VAL  58   0.340  -2.421  10.796
  450   3HG1  VAL  58          3HG1      VAL  58   1.726  -2.919   9.827
  451   1HG2  VAL  58          1HG2      VAL  58   2.687  -0.744  11.953
  452   2HG2  VAL  58          2HG2      VAL  58   3.575  -0.173  10.541
  453   3HG2  VAL  58          3HG2      VAL  58   3.298  -1.899  10.769
  454    H    VAL  59           H        VAL  59   4.130   0.482   7.918
  455    HA   VAL  59           HA       VAL  59   4.379  -1.443   5.883
  456    HB   VAL  59           HB       VAL  59   6.659  -0.020   7.252
  457   1HG1  VAL  59          1HG1      VAL  59   6.451  -0.814   4.365
  458   2HG1  VAL  59          2HG1      VAL  59   7.066  -1.929   5.588
  459   3HG1  VAL  59          3HG1      VAL  59   7.891  -0.399   5.297
  460   1HG2  VAL  59          1HG2      VAL  59   6.192   1.485   5.102
  461   2HG2  VAL  59          2HG2      VAL  59   5.429   1.801   6.660
  462   3HG2  VAL  59          3HG2      VAL  59   4.546   0.931   5.407
  463    H    LEU  60           H        LEU  60   5.543  -3.336   5.740
  464    HA   LEU  60           HA       LEU  60   6.579  -4.506   8.196
  465   1HB   LEU  60          2HB       LEU  60   4.634  -5.621   8.385
  466   2HB   LEU  60          1HB       LEU  60   4.189  -5.315   6.722
  467    HG   LEU  60           HG       LEU  60   6.305  -7.267   6.812
  468   1HD1  LEU  60          1HD1      LEU  60   4.421  -8.937   7.826
  469   2HD1  LEU  60          2HD1      LEU  60   4.223  -7.518   8.854
  470   3HD1  LEU  60          3HD1      LEU  60   5.796  -8.305   8.730
  471   1HD2  LEU  60          1HD2      LEU  60   4.524  -6.753   5.044
  472   2HD2  LEU  60          2HD2      LEU  60   3.445  -7.728   6.042
  473   3HD2  LEU  60          3HD2      LEU  60   4.904  -8.446   5.361
  474    H    SER  61           H        SER  61   8.664  -4.600   7.573
  475    HA   SER  61           HA       SER  61   9.278  -6.035   5.081
  476   1HB   SER  61          2HB       SER  61  11.357  -4.794   4.949
  477   2HB   SER  61          1HB       SER  61  10.022  -3.653   5.117
  478    HG   SER  61           HG       SER  61  11.937  -3.320   6.501
  Start of MODEL    2
    1   1H    GLY   1          1HT       GLY   1  15.007 -11.071  -1.083
    2   2H    GLY   1          2HT       GLY   1  14.233 -11.958   0.132
    3   3H    GLY   1          3HT       GLY   1  15.906 -11.721   0.194
    4   1HA   GLY   1          1HA       GLY   1  14.325 -10.282   1.657
    5   2HA   GLY   1          2HA       GLY   1  15.754  -9.581   0.914
    6    H    SER   2           H        SER   2  12.866  -8.679   1.647
    7    HA   SER   2           HA       SER   2  12.657  -6.787  -0.488
    8   1HB   SER   2          2HB       SER   2  11.248  -9.215  -0.828
    9   2HB   SER   2          1HB       SER   2  10.041  -7.998  -0.396
   10    HG   SER   2           HG       SER   2  10.871  -6.705  -2.100
   11    H    HIS   3           H        HIS   3  11.604  -4.977   0.154
   12    HA   HIS   3           HA       HIS   3  10.730  -4.869   2.911
   13   1HB   HIS   3          2HB       HIS   3  10.101  -2.404   1.762
   14   2HB   HIS   3          1HB       HIS   3  11.539  -2.785   2.696
   15    HD1  HIS   3           1HD      HIS   3  13.705  -2.444   1.528
   16    HD2  HIS   3           2HD      HIS   3  10.535  -2.795  -1.136
   17    HE1  HIS   3           1HE      HIS   3  14.682  -1.988  -0.743
   18    HE2  HIS   3           2HE      HIS   3  12.759  -2.268  -2.346
   19    H    VAL   4           H        VAL   4   8.704  -5.223   3.541
   20    HA   VAL   4           HA       VAL   4   6.578  -4.875   1.527
   21    HB   VAL   4           HB       VAL   4   5.873  -6.754   3.628
   22   1HG1  VAL   4          1HG1      VAL   4   4.691  -6.381   1.468
   23   2HG1  VAL   4          2HG1      VAL   4   5.109  -8.069   1.762
   24   3HG1  VAL   4          3HG1      VAL   4   6.068  -7.107   0.638
   25   1HG2  VAL   4          1HG2      VAL   4   8.156  -7.401   3.688
   26   2HG2  VAL   4          2HG2      VAL   4   8.283  -7.350   1.929
   27   3HG2  VAL   4          3HG2      VAL   4   7.310  -8.599   2.706
   28    H    VAL   5           H        VAL   5   4.379  -4.665   2.558
   29    HA   VAL   5           HA       VAL   5   4.526  -3.191   5.078
   30    HB   VAL   5           HB       VAL   5   4.324  -1.297   3.944
   31   1HG1  VAL   5          1HG1      VAL   5   2.892  -2.021   1.533
   32   2HG1  VAL   5          2HG1      VAL   5   4.394  -2.911   1.756
   33   3HG1  VAL   5          3HG1      VAL   5   4.409  -1.157   1.748
   34   1HG2  VAL   5          1HG2      VAL   5   2.089  -0.534   3.454
   35   2HG2  VAL   5          2HG2      VAL   5   2.097  -1.495   4.932
   36   3HG2  VAL   5          3HG2      VAL   5   1.507  -2.198   3.426
   37    H    GLN   6           H        GLN   6   2.515  -2.942   6.188
   38    HA   GLN   6           HA       GLN   6   0.677  -5.172   5.608
   39   1HB   GLN   6          2HB       GLN   6   2.260  -4.906   7.803
   40   2HB   GLN   6          1HB       GLN   6   0.780  -4.131   8.364
   41   1HG   GLN   6          2HG       GLN   6  -0.410  -6.060   8.357
   42   2HG   GLN   6          1HG       GLN   6   0.500  -6.749   7.015
   43   1HE2  GLN   6          1HE2      GLN   6   1.474  -5.479  10.180
   44   2HE2  GLN   6          2HE2      GLN   6   2.288  -6.913  10.697
   45    H    THR   7           H        THR   7  -1.523  -4.842   5.672
   46    HA   THR   7           HA       THR   7  -2.384  -2.062   5.561
   47    HB   THR   7           HB       THR   7  -4.332  -2.845   4.548
   48    HG1  THR   7           1HG      THR   7  -5.295  -4.257   5.772
   49   1HG2  THR   7          1HG2      THR   7  -3.268  -5.294   3.593
   50   2HG2  THR   7          2HG2      THR   7  -1.966  -4.110   3.681
   51   3HG2  THR   7          3HG2      THR   7  -3.422  -3.752   2.757
   52    H    LEU   8           H        LEU   8  -3.594  -1.016   6.987
   53    HA   LEU   8           HA       LEU   8  -4.341  -2.441   9.455
   54   1HB   LEU   8          2HB       LEU   8  -3.683   0.481   9.092
   55   2HB   LEU   8          1HB       LEU   8  -4.100  -0.286  10.605
   56    HG   LEU   8           HG       LEU   8  -1.561   0.234   9.744
   57   1HD1  LEU   8          1HD1      LEU   8  -0.857  -1.377  11.513
   58   2HD1  LEU   8          2HD1      LEU   8  -2.555  -1.826  11.674
   59   3HD1  LEU   8          3HD1      LEU   8  -2.044  -0.169  12.004
   60   1HD2  LEU   8          1HD2      LEU   8  -2.068  -2.682   9.202
   61   2HD2  LEU   8          2HD2      LEU   8  -0.490  -1.921   9.318
   62   3HD2  LEU   8          3HD2      LEU   8  -1.582  -1.464   8.022
   63    H    TYR   9           H        TYR   9  -5.283  -0.036   7.069
   64    HA   TYR   9           HA       TYR   9  -8.085  -0.374   7.882
   65   1HB   TYR   9          2HB       TYR   9  -6.526   2.142   7.653
   66   2HB   TYR   9          1HB       TYR   9  -8.166   2.169   7.013
   67    HD1  TYR   9           1HD      TYR   9  -6.679   3.475   9.567
   68    HD2  TYR   9           2HD      TYR   9  -9.521   0.365   8.967
   69    HE1  TYR   9           1HE      TYR   9  -7.547   3.836  11.839
   70    HE2  TYR   9           2HE      TYR   9 -10.396   0.718  11.237
   71    HH   TYR   9           HH       TYR   9  -8.782   2.675  13.545
   72    HA   PRO  10           HA       PRO  10  -9.361  -1.101   3.744
   73   1HB   PRO  10          2HB       PRO  10 -10.945   1.206   3.283
   74   2HB   PRO  10          1HB       PRO  10 -11.496  -0.382   3.816
   75   1HG   PRO  10          2HG       PRO  10 -10.933   2.058   5.407
   76   2HG   PRO  10          1HG       PRO  10 -12.097   0.756   5.711
   77   1HD   PRO  10          2HD       PRO  10  -9.838   0.978   7.136
   78   2HD   PRO  10          1HD       PRO  10 -10.497  -0.612   6.690
   79    H    PHE  11           H        PHE  11  -9.514  -0.043   1.520
   80    HA   PHE  11           HA       PHE  11  -7.078   1.511   1.114
   81   1HB   PHE  11          2HB       PHE  11  -7.372   0.915  -1.263
   82   2HB   PHE  11          1HB       PHE  11  -7.375  -0.507  -0.227
   83    HD1  PHE  11           1HD      PHE  11  -9.447  -1.744   0.182
   84    HD2  PHE  11           2HD      PHE  11  -9.327   1.582  -2.470
   85    HE1  PHE  11           1HE      PHE  11 -11.612  -2.427  -0.767
   86    HE2  PHE  11           2HE      PHE  11 -11.492   0.906  -3.422
   87    HZ   PHE  11           HZ       PHE  11 -12.638  -1.100  -2.569
   88    H    SER  12           H        SER  12  -7.051   3.599   0.557
   89    HA   SER  12           HA       SER  12  -9.517   4.799  -0.505
   90   1HB   SER  12          2HB       SER  12  -9.167   5.321   1.942
   91   2HB   SER  12          1HB       SER  12  -7.699   6.179   1.478
   92    HG   SER  12           HG       SER  12 -10.301   6.956   1.286
   93    H    SER  13           H        SER  13  -9.140   5.603  -2.463
   94    HA   SER  13           HA       SER  13  -6.512   6.831  -2.992
   95   1HB   SER  13          2HB       SER  13  -8.020   4.802  -4.543
   96   2HB   SER  13          1HB       SER  13  -7.265   6.094  -5.477
   97    HG   SER  13           HG       SER  13  -5.907   4.516  -3.550
   98    H    VAL  14           H        VAL  14  -6.591   8.899  -3.620
   99    HA   VAL  14           HA       VAL  14  -9.067   9.904  -4.842
  100    HB   VAL  14           HB       VAL  14  -8.798  12.016  -3.558
  101   1HG1  VAL  14          1HG1      VAL  14 -10.234   9.955  -2.899
  102   2HG1  VAL  14          2HG1      VAL  14 -10.010  11.263  -1.737
  103   3HG1  VAL  14          3HG1      VAL  14  -9.064   9.781  -1.590
  104   1HG2  VAL  14          1HG2      VAL  14  -6.616  10.432  -2.246
  105   2HG2  VAL  14          2HG2      VAL  14  -7.439  11.739  -1.395
  106   3HG2  VAL  14          3HG2      VAL  14  -6.562  12.075  -2.888
  107    H    THR  15           H        THR  15  -5.643  10.646  -4.175
  108    HA   THR  15           HA       THR  15  -5.324  12.733  -5.981
  109    HB   THR  15           HB       THR  15  -3.069  10.818  -5.715
  110    HG1  THR  15           1HG      THR  15  -2.770  11.480  -3.537
  111   1HG2  THR  15          1HG2      THR  15  -3.458  13.746  -5.724
  112   2HG2  THR  15          2HG2      THR  15  -2.209  12.759  -6.485
  113   3HG2  THR  15          3HG2      THR  15  -2.130  13.105  -4.757
  114    H    GLU  16           H        GLU  16  -3.816  12.540  -7.970
  115    HA   GLU  16           HA       GLU  16  -5.214  11.007  -9.916
  116   1HB   GLU  16          2HB       GLU  16  -4.473  12.820 -11.018
  117   2HB   GLU  16          1HB       GLU  16  -3.172  13.096  -9.872
  118   1HG   GLU  16          2HG       GLU  16  -2.271  12.743 -12.073
  119   2HG   GLU  16          1HG       GLU  16  -1.820  11.402 -11.023
  120    H    GLU  17           H        GLU  17  -2.161  10.603  -8.219
  121    HA   GLU  17           HA       GLU  17  -1.482   8.290  -9.864
  122   1HB   GLU  17          2HB       GLU  17   0.114   9.195  -7.491
  123   2HB   GLU  17          1HB       GLU  17   0.660   8.350  -8.928
  124   1HG   GLU  17          2HG       GLU  17  -0.450  11.076  -9.266
  125   2HG   GLU  17          1HG       GLU  17   1.142  10.914  -8.531
  126    H    GLU  18           H        GLU  18  -3.824   8.140  -8.167
  127    HA   GLU  18           HA       GLU  18  -2.959   5.983  -6.359
  128   1HB   GLU  18          2HB       GLU  18  -5.512   7.487  -5.923
  129   2HB   GLU  18          1HB       GLU  18  -4.552   6.574  -4.768
  130   1HG   GLU  18          2HG       GLU  18  -2.871   8.614  -5.608
  131   2HG   GLU  18          1HG       GLU  18  -4.452   9.368  -5.455
  132    H    LEU  19           H        LEU  19  -4.773   4.360  -5.951
  133    HA   LEU  19           HA       LEU  19  -6.788   4.172  -7.997
  134   1HB   LEU  19          2HB       LEU  19  -6.101   2.296  -9.141
  135   2HB   LEU  19          1HB       LEU  19  -4.618   3.200  -8.961
  136    HG   LEU  19           HG       LEU  19  -3.858   1.112  -8.502
  137   1HD1  LEU  19          1HD1      LEU  19  -4.751   1.260  -5.724
  138   2HD1  LEU  19          2HD1      LEU  19  -3.922   2.686  -6.346
  139   3HD1  LEU  19          3HD1      LEU  19  -3.138   1.112  -6.410
  140   1HD2  LEU  19          1HD2      LEU  19  -5.080  -0.723  -7.949
  141   2HD2  LEU  19          2HD2      LEU  19  -6.377   0.291  -8.575
  142   3HD2  LEU  19          3HD2      LEU  19  -6.120   0.159  -6.835
  143    H    ASN  20           H        ASN  20  -8.428   2.667  -7.543
  144    HA   ASN  20           HA       ASN  20  -8.473   1.907  -4.716
  145   1HB   ASN  20          2HB       ASN  20 -10.977   1.615  -5.196
  146   2HB   ASN  20          1HB       ASN  20 -10.336   3.255  -5.202
  147   1HD2  ASN  20          1HD2      ASN  20 -12.053   3.959  -6.486
  148   2HD2  ASN  20          2HD2      ASN  20 -12.136   3.599  -8.173
  149    H    PHE  21           H        PHE  21  -7.902  -0.078  -4.289
  150    HA   PHE  21           HA       PHE  21  -8.993  -2.253  -5.935
  151   1HB   PHE  21          2HB       PHE  21  -6.773  -3.478  -5.435
  152   2HB   PHE  21          1HB       PHE  21  -6.803  -2.283  -6.722
  153    HD1  PHE  21           1HD      PHE  21  -6.745  -1.252  -3.194
  154    HD2  PHE  21           2HD      PHE  21  -4.427  -2.006  -6.676
  155    HE1  PHE  21           1HE      PHE  21  -4.837  -0.103  -2.162
  156    HE2  PHE  21           2HE      PHE  21  -2.511  -0.853  -5.652
  157    HZ   PHE  21           HZ       PHE  21  -2.715   0.099  -3.391
  158    H    GLU  22           H        GLU  22  -8.944  -4.388  -4.795
  159    HA   GLU  22           HA       GLU  22 -10.020  -4.087  -2.182
  160   1HB   GLU  22          2HB       GLU  22 -10.994  -5.925  -3.083
  161   2HB   GLU  22          1HB       GLU  22  -9.621  -6.267  -4.122
  162   1HG   GLU  22          2HG       GLU  22 -10.060  -8.062  -2.524
  163   2HG   GLU  22          1HG       GLU  22  -8.467  -7.343  -2.308
  164    H    LYS  23           H        LYS  23  -8.610  -3.322  -0.705
  165    HA   LYS  23           HA       LYS  23  -5.885  -4.131  -0.560
  166   1HB   LYS  23          2HB       LYS  23  -7.581  -2.167   0.664
  167   2HB   LYS  23          1HB       LYS  23  -6.665  -3.000   1.905
  168   1HG   LYS  23          2HG       LYS  23  -5.571  -1.531  -0.481
  169   2HG   LYS  23          1HG       LYS  23  -5.453  -1.058   1.214
  170   1HD   LYS  23          2HD       LYS  23  -3.601  -2.261   1.467
  171   2HD   LYS  23          1HD       LYS  23  -4.409  -3.714   0.876
  172   1HE   LYS  23          2HE       LYS  23  -3.208  -1.572  -0.877
  173   2HE   LYS  23          1HE       LYS  23  -2.409  -3.082  -0.446
  174   1HZ   LYS  23          1HZ       LYS  23  -3.473  -3.208  -2.617
  175   2HZ   LYS  23          2HZ       LYS  23  -4.975  -2.862  -1.922
  176   3HZ   LYS  23          3HZ       LYS  23  -4.176  -4.300  -1.532
  177    H    GLY  24           H        GLY  24  -4.999  -5.789   0.473
  178   1HA   GLY  24          2HA       GLY  24  -6.729  -7.569   1.999
  179   2HA   GLY  24          1HA       GLY  24  -5.087  -7.911   1.466
  180    H    GLU  25           H        GLU  25  -4.317  -8.566   3.440
  181    HA   GLU  25           HA       GLU  25  -4.469  -6.751   5.694
  182   1HB   GLU  25          2HB       GLU  25  -4.628  -9.497   5.531
  183   2HB   GLU  25          1HB       GLU  25  -2.980  -9.232   6.087
  184   1HG   GLU  25          2HG       GLU  25  -3.653  -8.268   8.056
  185   2HG   GLU  25          1HG       GLU  25  -5.220  -7.793   7.405
  186    H    THR  26           H        THR  26  -2.410  -7.708   3.211
  187    HA   THR  26           HA       THR  26  -0.235  -6.114   4.330
  188    HB   THR  26           HB       THR  26   0.980  -8.275   2.964
  189    HG1  THR  26           1HG      THR  26   0.024 -10.003   3.670
  190   1HG2  THR  26          1HG2      THR  26   1.013  -8.312   5.905
  191   2HG2  THR  26          2HG2      THR  26   1.581  -6.832   5.134
  192   3HG2  THR  26          3HG2      THR  26   2.342  -8.375   4.747
  193    H    MET  27           H        MET  27   1.026  -5.067   2.864
  194    HA   MET  27           HA       MET  27   0.577  -5.512   0.010
  195   1HB   MET  27          2HB       MET  27   0.832  -2.725   0.273
  196   2HB   MET  27          1HB       MET  27  -0.584  -3.619  -0.250
  197   1HG   MET  27          2HG       MET  27  -1.598  -3.486   1.812
  198   2HG   MET  27          1HG       MET  27  -0.074  -3.229   2.662
  199   1HE   MET  27          1HE       MET  27  -1.472  -0.963   4.036
  200   2HE   MET  27          2HE       MET  27  -2.718  -1.847   3.158
  201   3HE   MET  27          3HE       MET  27  -2.603  -0.095   3.000
  202    H    GLU  28           H        GLU  28   2.276  -4.342  -1.301
  203    HA   GLU  28           HA       GLU  28   4.780  -4.129   0.261
  204   1HB   GLU  28          2HB       GLU  28   5.894  -4.905  -1.898
  205   2HB   GLU  28          1HB       GLU  28   4.980  -6.109  -1.007
  206   1HG   GLU  28          2HG       GLU  28   3.401  -4.702  -3.008
  207   2HG   GLU  28          1HG       GLU  28   4.762  -5.601  -3.678
  208    H    VAL  29           H        VAL  29   5.386  -2.103   0.317
  209    HA   VAL  29           HA       VAL  29   4.642  -0.268  -1.802
  210    HB   VAL  29           HB       VAL  29   5.697   0.065   0.982
  211   1HG1  VAL  29          1HG1      VAL  29   5.565   2.566   0.507
  212   2HG1  VAL  29          2HG1      VAL  29   5.688   2.125  -1.197
  213   3HG1  VAL  29          3HG1      VAL  29   6.987   1.704  -0.081
  214   1HG2  VAL  29          1HG2      VAL  29   3.256  -0.246   0.422
  215   2HG2  VAL  29          2HG2      VAL  29   3.327   1.338  -0.349
  216   3HG2  VAL  29          3HG2      VAL  29   3.659   1.182   1.377
  217    H    ILE  30           H        ILE  30   5.983   0.719  -3.150
  218    HA   ILE  30           HA       ILE  30   8.732  -0.270  -3.305
  219    HB   ILE  30           HB       ILE  30   8.525   1.151  -5.557
  220   1HG1  ILE  30          2HG1      ILE  30   6.066   1.663  -4.683
  221   2HG1  ILE  30          1HG1      ILE  30   6.404   1.460  -6.389
  222   1HG2  ILE  30          1HG2      ILE  30   9.100  -1.180  -5.471
  223   2HG2  ILE  30          2HG2      ILE  30   7.850  -0.934  -6.691
  224   3HG2  ILE  30          3HG2      ILE  30   7.427  -1.618  -5.121
  225   1HD1  ILE  30          1HD1      ILE  30   4.407   0.268  -5.790
  226   2HD1  ILE  30          2HD1      ILE  30   5.275  -0.619  -4.539
  227   3HD1  ILE  30          3HD1      ILE  30   5.668  -0.877  -6.239
  228    H    GLU  31           H        GLU  31   6.906   2.749  -3.158
  229    HA   GLU  31           HA       GLU  31   9.353   4.318  -3.126
  230   1HB   GLU  31          2HB       GLU  31   7.472   5.173  -4.409
  231   2HB   GLU  31          1HB       GLU  31   6.449   5.139  -2.982
  232   1HG   GLU  31          2HG       GLU  31   7.508   6.960  -2.018
  233   2HG   GLU  31          1HG       GLU  31   8.954   6.765  -3.005
  234    H    LYS  32           H        LYS  32  10.429   4.331  -1.263
  235    HA   LYS  32           HA       LYS  32   9.096   4.070   1.270
  236   1HB   LYS  32          2HB       LYS  32  11.995   4.763   0.867
  237   2HB   LYS  32          1HB       LYS  32  11.251   3.914   2.210
  238   1HG   LYS  32          2HG       LYS  32  11.594   2.861  -0.586
  239   2HG   LYS  32          1HG       LYS  32  12.523   2.384   0.836
  240   1HD   LYS  32          2HD       LYS  32  10.850   1.094   1.663
  241   2HD   LYS  32          1HD       LYS  32   9.583   2.156   1.048
  242   1HE   LYS  32          2HE       LYS  32   9.904  -0.219   0.025
  243   2HE   LYS  32          1HE       LYS  32   9.556   1.154  -1.022
  244   1HZ   LYS  32          1HZ       LYS  32  12.325   0.268  -0.467
  245   2HZ   LYS  32          2HZ       LYS  32  11.775   1.265  -1.717
  246   3HZ   LYS  32          3HZ       LYS  32  11.411  -0.385  -1.732
  247    HA   PRO  33           HA       PRO  33   8.807   8.457   1.916
  248   1HB   PRO  33          2HB       PRO  33   7.812   8.447   4.396
  249   2HB   PRO  33          1HB       PRO  33   6.871   7.849   3.025
  250   1HG   PRO  33          2HG       PRO  33   8.325   6.326   5.135
  251   2HG   PRO  33          1HG       PRO  33   6.786   5.956   4.340
  252   1HD   PRO  33          2HD       PRO  33   9.268   4.846   3.695
  253   2HD   PRO  33          1HD       PRO  33   7.818   4.809   2.674
  254    H    GLU  34           H        GLU  34  11.292   6.706   2.955
  255    HA   GLU  34           HA       GLU  34  12.253   7.943   5.264
  256   1HB   GLU  34          2HB       GLU  34  14.559   7.296   4.260
  257   2HB   GLU  34          1HB       GLU  34  13.425   6.026   4.696
  258   1HG   GLU  34          2HG       GLU  34  14.575   5.674   2.530
  259   2HG   GLU  34          1HG       GLU  34  12.818   5.682   2.418
  260    H    ASN  35           H        ASN  35  12.005   9.131   2.052
  261    HA   ASN  35           HA       ASN  35  13.696  11.439   2.757
  262   1HB   ASN  35          2HB       ASN  35  14.405  10.019   0.769
  263   2HB   ASN  35          1HB       ASN  35  12.951  10.589  -0.043
  264   1HD2  ASN  35          1HD2      ASN  35  15.473  12.083   1.962
  265   2HD2  ASN  35          2HD2      ASN  35  15.825  13.367   0.861
  266    H    ASP  36           H        ASP  36  10.705  10.408   1.183
  267    HA   ASP  36           HA       ASP  36   9.624  13.111   1.640
  268   1HB   ASP  36          2HB       ASP  36   8.771  11.279  -0.603
  269   2HB   ASP  36          1HB       ASP  36   8.353  12.975  -0.380
  270    HA   PRO  37           HA       PRO  37   6.857  10.371   3.980
  271   1HB   PRO  37          2HB       PRO  37   6.268  12.085   5.944
  272   2HB   PRO  37          1HB       PRO  37   7.839  11.275   5.875
  273   1HG   PRO  37          2HG       PRO  37   7.109  14.064   5.086
  274   2HG   PRO  37          1HG       PRO  37   8.551  13.482   5.934
  275   1HD   PRO  37          2HD       PRO  37   8.432  14.054   3.229
  276   2HD   PRO  37          1HD       PRO  37   9.628  12.983   3.985
  277    H    GLU  38           H        GLU  38   5.719  11.120   1.728
  278    HA   GLU  38           HA       GLU  38   3.351  12.681   2.500
  279   1HB   GLU  38          2HB       GLU  38   3.082  12.973  -0.041
  280   2HB   GLU  38          1HB       GLU  38   4.318  13.908   0.782
  281   1HG   GLU  38          2HG       GLU  38   5.671  11.641   0.025
  282   2HG   GLU  38          1HG       GLU  38   4.571  11.923  -1.320
  283    H    TRP  39           H        TRP  39   3.958  10.395  -0.178
  284    HA   TRP  39           HA       TRP  39   2.034   8.531   0.932
  285   1HB   TRP  39          2HB       TRP  39   1.526   9.582  -1.844
  286   2HB   TRP  39          1HB       TRP  39   0.457   8.626  -0.824
  287    HD1  TRP  39           HD       TRP  39  -0.700   9.965   1.281
  288    HE1  TRP  39           1HE      TRP  39  -1.370  12.443   1.487
  289    HE3  TRP  39           3HE      TRP  39   2.125  11.889  -2.518
  290    HZ2  TRP  39           2HZ      TRP  39  -0.777  14.889   0.208
  291    HZ3  TRP  39           3HZ      TRP  39   2.018  14.308  -2.962
  292    HH2  TRP  39           HH       TRP  39   0.595  15.775  -1.626
  293    H    TRP  40           H        TRP  40   2.190   6.454   0.070
  294    HA   TRP  40           HA       TRP  40   4.325   6.088  -1.920
  295   1HB   TRP  40          2HB       TRP  40   4.889   3.948  -0.835
  296   2HB   TRP  40          1HB       TRP  40   5.135   5.322   0.231
  297    HD1  TRP  40           HD       TRP  40   1.877   3.302  -0.373
  298    HE1  TRP  40           1HE      TRP  40   1.057   2.424   1.902
  299    HE3  TRP  40           3HE      TRP  40   5.699   4.987   2.556
  300    HZ2  TRP  40           2HZ      TRP  40   1.939   2.440   4.582
  301    HZ3  TRP  40           3HZ      TRP  40   5.641   4.510   4.969
  302    HH2  TRP  40           HH       TRP  40   3.793   3.263   5.960
  303    H    LYS  41           H        LYS  41   4.145   3.872  -3.008
  304    HA   LYS  41           HA       LYS  41   1.355   3.161  -3.456
  305   1HB   LYS  41          2HB       LYS  41   1.902   2.963  -5.922
  306   2HB   LYS  41          1HB       LYS  41   1.709   4.584  -5.270
  307   1HG   LYS  41          2HG       LYS  41   3.569   4.784  -6.581
  308   2HG   LYS  41          1HG       LYS  41   4.275   4.516  -4.997
  309   1HD   LYS  41          2HD       LYS  41   5.501   3.052  -6.247
  310   2HD   LYS  41          1HD       LYS  41   4.170   2.016  -5.762
  311   1HE   LYS  41          2HE       LYS  41   5.035   2.709  -8.384
  312   2HE   LYS  41          1HE       LYS  41   3.788   1.564  -7.892
  313   1HZ   LYS  41          1HZ       LYS  41   2.753   3.126  -9.292
  314   2HZ   LYS  41          2HZ       LYS  41   3.473   4.446  -8.519
  315   3HZ   LYS  41          3HZ       LYS  41   2.272   3.557  -7.729
  316    H    CYS  42           H        CYS  42   0.886   1.074  -3.832
  317    HA   CYS  42           HA       CYS  42   3.122  -0.801  -4.084
  318   1HB   CYS  42          2HB       CYS  42   1.515  -2.310  -2.581
  319   2HB   CYS  42          1HB       CYS  42   2.707  -1.241  -1.855
  320    HG   CYS  42           HG       CYS  42   0.481  -0.835  -0.629
  321    H    LYS  43           H        LYS  43   2.469  -2.902  -4.979
  322    HA   LYS  43           HA       LYS  43   0.332  -2.562  -6.932
  323   1HB   LYS  43          2HB       LYS  43   1.280  -4.483  -8.061
  324   2HB   LYS  43          1HB       LYS  43   2.553  -3.331  -7.680
  325   1HG   LYS  43          2HG       LYS  43   3.478  -4.689  -6.054
  326   2HG   LYS  43          1HG       LYS  43   1.985  -5.602  -5.824
  327   1HD   LYS  43          2HD       LYS  43   3.749  -5.705  -8.272
  328   2HD   LYS  43          1HD       LYS  43   3.699  -6.919  -6.992
  329   1HE   LYS  43          2HE       LYS  43   2.120  -7.943  -8.188
  330   2HE   LYS  43          1HE       LYS  43   1.047  -6.621  -7.733
  331   1HZ   LYS  43          1HZ       LYS  43   1.004  -6.870 -10.092
  332   2HZ   LYS  43          2HZ       LYS  43   2.692  -6.810 -10.197
  333   3HZ   LYS  43          3HZ       LYS  43   1.824  -5.432  -9.741
  334    H    ASN  44           H        ASN  44  -1.411  -3.862  -7.185
  335    HA   ASN  44           HA       ASN  44  -1.948  -5.744  -4.979
  336   1HB   ASN  44          2HB       ASN  44  -3.253  -3.485  -5.112
  337   2HB   ASN  44          1HB       ASN  44  -4.131  -4.273  -6.418
  338   1HD2  ASN  44          1HD2      ASN  44  -2.875  -5.452  -3.316
  339   2HD2  ASN  44          2HD2      ASN  44  -4.390  -6.043  -2.736
  340    H    ALA  45           H        ALA  45  -3.882  -7.200  -5.623
  341    HA   ALA  45           HA       ALA  45  -2.996  -8.771  -7.762
  342   1HB   ALA  45          1HB       ALA  45  -4.224  -9.618  -5.783
  343   2HB   ALA  45          2HB       ALA  45  -4.891 -10.180  -7.315
  344   3HB   ALA  45          3HB       ALA  45  -5.693  -8.884  -6.426
  345    H    ARG  46           H        ARG  46  -4.801  -5.933  -7.811
  346    HA   ARG  46           HA       ARG  46  -6.368  -6.572 -10.158
  347   1HB   ARG  46          2HB       ARG  46  -5.856  -3.793  -9.136
  348   2HB   ARG  46          1HB       ARG  46  -7.263  -4.397  -9.990
  349   1HG   ARG  46          2HG       ARG  46  -6.505  -5.112  -7.166
  350   2HG   ARG  46          1HG       ARG  46  -7.704  -3.908  -7.630
  351   1HD   ARG  46          2HD       ARG  46  -8.983  -5.801  -7.180
  352   2HD   ARG  46          1HD       ARG  46  -8.830  -5.804  -8.935
  353    HE   ARG  46           HE       ARG  46  -6.848  -7.372  -7.531
  354   1HH1  ARG  46          1HH1      ARG  46  -9.986  -7.359  -9.064
  355   2HH1  ARG  46          2HH1      ARG  46  -9.982  -9.064  -9.366
  356   1HH2  ARG  46          1HH2      ARG  46  -6.847  -9.617  -7.930
  357   2HH2  ARG  46          2HH2      ARG  46  -8.203 -10.344  -8.723
  358    H    GLY  47           H        GLY  47  -3.165  -6.014  -9.629
  359   1HA   GLY  47          2HA       GLY  47  -1.434  -5.649 -11.102
  360   2HA   GLY  47          1HA       GLY  47  -2.621  -5.507 -12.390
  361    H    GLN  48           H        GLN  48  -3.474  -3.458  -9.903
  362    HA   GLN  48           HA       GLN  48  -2.098  -1.200 -11.177
  363   1HB   GLN  48          2HB       GLN  48  -4.245  -0.001 -10.104
  364   2HB   GLN  48          1HB       GLN  48  -4.186  -0.617 -11.743
  365   1HG   GLN  48          2HG       GLN  48  -5.157  -2.765 -10.840
  366   2HG   GLN  48          1HG       GLN  48  -5.455  -1.882  -9.345
  367   1HE2  GLN  48          1HE2      GLN  48  -6.104   0.608 -10.516
  368   2HE2  GLN  48          2HE2      GLN  48  -7.636   0.443 -11.296
  369    H    VAL  49           H        VAL  49  -0.645  -0.325  -9.948
  370    HA   VAL  49           HA       VAL  49  -1.062  -0.356  -7.041
  371    HB   VAL  49           HB       VAL  49   1.049  -1.208  -7.194
  372   1HG1  VAL  49          1HG1      VAL  49   1.478   0.401  -9.666
  373   2HG1  VAL  49          2HG1      VAL  49   1.196  -1.337  -9.547
  374   3HG1  VAL  49          3HG1      VAL  49   2.689  -0.640  -8.917
  375   1HG2  VAL  49          1HG2      VAL  49   1.850   1.658  -7.521
  376   2HG2  VAL  49          2HG2      VAL  49   2.661   0.397  -6.596
  377   3HG2  VAL  49          3HG2      VAL  49   1.114   1.039  -6.045
  378    H    GLY  50           H        GLY  50  -1.355   1.486  -5.983
  379   1HA   GLY  50          2HA       GLY  50  -0.766   4.002  -7.360
  380   2HA   GLY  50          1HA       GLY  50  -2.399   3.715  -6.782
  381    H    LEU  51           H        LEU  51  -1.533   5.828  -5.770
  382    HA   LEU  51           HA       LEU  51   0.162   5.555  -3.511
  383   1HB   LEU  51          2HB       LEU  51  -1.447   7.692  -4.755
  384   2HB   LEU  51          1HB       LEU  51  -1.072   7.884  -3.055
  385    HG   LEU  51           HG       LEU  51   1.167   8.184  -3.437
  386   1HD1  LEU  51          1HD1      LEU  51   1.979   6.314  -4.454
  387   2HD1  LEU  51          2HD1      LEU  51   2.136   7.474  -5.773
  388   3HD1  LEU  51          3HD1      LEU  51   0.774   6.356  -5.740
  389   1HD2  LEU  51          1HD2      LEU  51   0.571  10.096  -4.454
  390   2HD2  LEU  51          2HD2      LEU  51  -0.479   9.274  -5.609
  391   3HD2  LEU  51          3HD2      LEU  51   1.264   9.307  -5.871
  392    H    VAL  52           H        VAL  52  -0.379   4.481  -1.788
  393    HA   VAL  52           HA       VAL  52  -3.170   4.401  -0.897
  394    HB   VAL  52           HB       VAL  52  -2.304   2.210  -1.109
  395   1HG1  VAL  52          1HG1      VAL  52  -0.157   1.561   0.080
  396   2HG1  VAL  52          2HG1      VAL  52   0.138   3.291   0.241
  397   3HG1  VAL  52          3HG1      VAL  52   0.003   2.568  -1.361
  398   1HG2  VAL  52          1HG2      VAL  52  -2.430   3.168   1.722
  399   2HG2  VAL  52          2HG2      VAL  52  -1.876   1.527   1.403
  400   3HG2  VAL  52          3HG2      VAL  52  -3.471   2.036   0.859
  401    HA   PRO  53           HA       PRO  53  -2.511   7.106   2.569
  402   1HB   PRO  53          2HB       PRO  53  -4.110   5.879   4.393
  403   2HB   PRO  53          1HB       PRO  53  -4.763   6.811   3.037
  404   1HG   PRO  53          2HG       PRO  53  -4.222   3.847   3.177
  405   2HG   PRO  53          1HG       PRO  53  -5.763   4.660   2.776
  406   1HD   PRO  53          2HD       PRO  53  -4.252   3.839   0.811
  407   2HD   PRO  53          1HD       PRO  53  -4.861   5.509   0.741
  408    H    LYS  54           H        LYS  54  -0.266   6.440   2.841
  409    HA   LYS  54           HA       LYS  54   0.644   4.184   4.116
  410   1HB   LYS  54          2HB       LYS  54   2.608   5.587   4.765
  411   2HB   LYS  54          1HB       LYS  54   2.173   5.614   3.058
  412   1HG   LYS  54          2HG       LYS  54   2.155   7.803   3.181
  413   2HG   LYS  54          1HG       LYS  54   0.717   7.686   4.191
  414   1HD   LYS  54          2HD       LYS  54   2.026   7.712   6.187
  415   2HD   LYS  54          1HD       LYS  54   3.530   7.572   5.272
  416   1HE   LYS  54          2HE       LYS  54   3.510   9.823   5.721
  417   2HE   LYS  54          1HE       LYS  54   2.696   9.793   4.157
  418   1HZ   LYS  54          1HZ       LYS  54   1.739  10.851   6.523
  419   2HZ   LYS  54          2HZ       LYS  54   0.821   9.457   6.254
  420   3HZ   LYS  54          3HZ       LYS  54   0.890  10.663   5.071
  421    H    ASN  55           H        ASN  55  -0.898   6.961   5.483
  422    HA   ASN  55           HA       ASN  55  -0.091   6.386   8.196
  423   1HB   ASN  55          2HB       ASN  55  -0.866   8.671   6.987
  424   2HB   ASN  55          1HB       ASN  55  -2.398   8.168   7.692
  425   1HD2  ASN  55          1HD2      ASN  55  -2.268  10.047   9.012
  426   2HD2  ASN  55          2HD2      ASN  55  -1.280  10.054  10.429
  427    H    TYR  56           H        TYR  56  -2.154   4.895   6.157
  428    HA   TYR  56           HA       TYR  56  -4.105   4.235   8.264
  429   1HB   TYR  56          2HB       TYR  56  -4.269   4.120   5.250
  430   2HB   TYR  56          1HB       TYR  56  -5.428   3.295   6.285
  431    HD1  TYR  56           1HD      TYR  56  -3.878   6.687   6.589
  432    HD2  TYR  56           2HD      TYR  56  -7.429   4.408   6.054
  433    HE1  TYR  56           1HE      TYR  56  -5.215   8.744   6.758
  434    HE2  TYR  56           2HE      TYR  56  -8.778   6.459   6.218
  435    HH   TYR  56           HH       TYR  56  -7.984   9.227   5.710
  436    H    VAL  57           H        VAL  57  -1.287   3.223   7.421
  437    HA   VAL  57           HA       VAL  57  -1.894   0.407   7.846
  438    HB   VAL  57           HB       VAL  57  -1.182  -0.413   5.907
  439   1HG1  VAL  57          1HG1      VAL  57  -1.760   2.446   5.154
  440   2HG1  VAL  57          2HG1      VAL  57  -2.822   1.044   5.024
  441   3HG1  VAL  57          3HG1      VAL  57  -1.433   1.204   3.948
  442   1HG2  VAL  57          1HG2      VAL  57   1.104  -0.017   6.009
  443   2HG2  VAL  57          2HG2      VAL  57   0.900   1.735   5.982
  444   3HG2  VAL  57          3HG2      VAL  57   0.640   0.795   4.513
  445    H    VAL  58           H        VAL  58   0.350  -0.817   7.893
  446    HA   VAL  58           HA       VAL  58   2.396   0.877   9.135
  447    HB   VAL  58           HB       VAL  58   1.083  -0.297  10.926
  448   1HG1  VAL  58          1HG1      VAL  58   0.686  -2.482  10.915
  449   2HG1  VAL  58          2HG1      VAL  58   2.380  -2.860  10.601
  450   3HG1  VAL  58          3HG1      VAL  58   1.293  -2.502   9.261
  451   1HG2  VAL  58          1HG2      VAL  58   3.042  -1.019  12.178
  452   2HG2  VAL  58          2HG2      VAL  58   3.379   0.460  11.278
  453   3HG2  VAL  58          3HG2      VAL  58   3.982  -1.088  10.686
  454    H    VAL  59           H        VAL  59   4.264   0.634   8.108
  455    HA   VAL  59           HA       VAL  59   4.575  -1.225   6.030
  456    HB   VAL  59           HB       VAL  59   6.792   0.327   7.351
  457   1HG1  VAL  59          1HG1      VAL  59   7.489   0.121   4.773
  458   2HG1  VAL  59          2HG1      VAL  59   6.555  -1.365   4.928
  459   3HG1  VAL  59          3HG1      VAL  59   7.941  -1.084   5.981
  460   1HG2  VAL  59          1HG2      VAL  59   4.585   1.445   6.269
  461   2HG2  VAL  59          2HG2      VAL  59   5.591   1.272   4.830
  462   3HG2  VAL  59          3HG2      VAL  59   6.185   2.186   6.218
  463    H    LEU  60           H        LEU  60   5.878  -2.934   5.736
  464    HA   LEU  60           HA       LEU  60   6.633  -4.422   8.113
  465   1HB   LEU  60          2HB       LEU  60   5.225  -5.098   5.717
  466   2HB   LEU  60          1HB       LEU  60   6.700  -6.039   5.783
  467    HG   LEU  60           HG       LEU  60   6.063  -7.120   7.773
  468   1HD1  LEU  60          1HD1      LEU  60   5.295  -5.565   9.267
  469   2HD1  LEU  60          2HD1      LEU  60   3.781  -6.355   8.827
  470   3HD1  LEU  60          3HD1      LEU  60   4.215  -4.811   8.095
  471   1HD2  LEU  60          1HD2      LEU  60   4.837  -7.847   5.753
  472   2HD2  LEU  60          2HD2      LEU  60   3.517  -6.765   6.197
  473   3HD2  LEU  60          3HD2      LEU  60   3.935  -8.123   7.242
  474    H    SER  61           H        SER  61   8.526  -5.802   7.795
  475    HA   SER  61           HA       SER  61  10.757  -6.101   7.457
  476   1HB   SER  61          2HB       SER  61  10.016  -6.404   5.100
  477   2HB   SER  61          1HB       SER  61  10.255  -4.678   4.832
  478    HG   SER  61           HG       SER  61  12.249  -6.546   5.607
  Start of MODEL    3
    1   1H    GLY   1          1HT       GLY   1  15.189  -8.182   3.091
    2   2H    GLY   1          2HT       GLY   1  14.732  -6.562   2.931
    3   3H    GLY   1          3HT       GLY   1  16.357  -6.961   3.178
    4   1HA   GLY   1          1HA       GLY   1  16.570  -6.796   0.978
    5   2HA   GLY   1          2HA       GLY   1  15.810  -8.380   0.968
    6    H    SER   2           H        SER   2  13.224  -7.903   1.501
    7    HA   SER   2           HA       SER   2  12.404  -6.245  -0.783
    8   1HB   SER   2          2HB       SER   2  11.538  -8.837   0.249
    9   2HB   SER   2          1HB       SER   2  10.183  -7.737  -0.027
   10    HG   SER   2           HG       SER   2  10.751  -8.973  -1.892
   11    H    HIS   3           H        HIS   3  11.364  -4.401  -0.410
   12    HA   HIS   3           HA       HIS   3  10.561  -3.730   2.286
   13   1HB   HIS   3          2HB       HIS   3   9.630  -1.661   0.721
   14   2HB   HIS   3          1HB       HIS   3  11.197  -1.720   1.513
   15    HD1  HIS   3           1HD      HIS   3   9.668  -2.672  -1.837
   16    HD2  HIS   3           2HD      HIS   3  13.283  -1.442  -0.199
   17    HE1  HIS   3           1HE      HIS   3  11.214  -2.345  -3.793
   18    HE2  HIS   3           2HE      HIS   3  13.420  -1.687  -2.770
   19    H    VAL   4           H        VAL   4   8.649  -4.187   3.091
   20    HA   VAL   4           HA       VAL   4   6.361  -4.360   1.246
   21    HB   VAL   4           HB       VAL   4   6.038  -6.068   3.562
   22   1HG1  VAL   4          1HG1      VAL   4   5.952  -6.471   0.583
   23   2HG1  VAL   4          2HG1      VAL   4   4.595  -6.283   1.693
   24   3HG1  VAL   4          3HG1      VAL   4   5.580  -7.746   1.743
   25   1HG2  VAL   4          1HG2      VAL   4   8.284  -6.834   1.702
   26   2HG2  VAL   4          2HG2      VAL   4   7.653  -7.776   3.054
   27   3HG2  VAL   4          3HG2      VAL   4   8.502  -6.260   3.356
   28    H    VAL   5           H        VAL   5   4.254  -4.252   2.410
   29    HA   VAL   5           HA       VAL   5   4.380  -2.678   4.860
   30    HB   VAL   5           HB       VAL   5   3.986  -0.824   3.712
   31   1HG1  VAL   5          1HG1      VAL   5   2.607  -1.228   1.358
   32   2HG1  VAL   5          2HG1      VAL   5   3.661  -2.629   1.498
   33   3HG1  VAL   5          3HG1      VAL   5   4.341  -1.013   1.559
   34   1HG2  VAL   5          1HG2      VAL   5   1.624  -0.323   3.132
   35   2HG2  VAL   5          2HG2      VAL   5   1.864  -0.946   4.765
   36   3HG2  VAL   5          3HG2      VAL   5   1.230  -2.002   3.500
   37    H    GLN   6           H        GLN   6   2.339  -2.585   6.021
   38    HA   GLN   6           HA       GLN   6   0.582  -4.855   5.365
   39   1HB   GLN   6          2HB       GLN   6   2.499  -4.926   7.350
   40   2HB   GLN   6          1HB       GLN   6   1.036  -4.492   8.231
   41   1HG   GLN   6          2HG       GLN   6   0.038  -6.492   7.856
   42   2HG   GLN   6          1HG       GLN   6   0.832  -6.723   6.299
   43   1HE2  GLN   6          1HE2      GLN   6   1.746  -6.389   9.715
   44   2HE2  GLN   6          2HE2      GLN   6   2.877  -7.695   9.719
   45    H    THR   7           H        THR   7  -1.563  -4.628   5.824
   46    HA   THR   7           HA       THR   7  -2.347  -2.030   6.960
   47    HB   THR   7           HB       THR   7  -4.542  -3.199   5.612
   48    HG1  THR   7           1HG      THR   7  -3.719  -3.576   3.599
   49   1HG2  THR   7          1HG2      THR   7  -2.878  -1.032   4.415
   50   2HG2  THR   7          2HG2      THR   7  -3.802  -0.743   5.889
   51   3HG2  THR   7          3HG2      THR   7  -4.630  -1.237   4.412
   52    H    LEU   8           H        LEU   8  -4.487  -2.012   8.008
   53    HA   LEU   8           HA       LEU   8  -4.898  -4.474   9.565
   54   1HB   LEU   8          2HB       LEU   8  -5.808  -2.284  11.084
   55   2HB   LEU   8          1HB       LEU   8  -4.465  -3.347  11.432
   56    HG   LEU   8           HG       LEU   8  -3.752  -1.054  11.580
   57   1HD1  LEU   8          1HD1      LEU   8  -2.419  -1.546   9.058
   58   2HD1  LEU   8          2HD1      LEU   8  -2.504  -2.996  10.058
   59   3HD1  LEU   8          3HD1      LEU   8  -1.771  -1.526  10.698
   60   1HD2  LEU   8          1HD2      LEU   8  -4.512   0.552  10.260
   61   2HD2  LEU   8          2HD2      LEU   8  -5.520  -0.648   9.454
   62   3HD2  LEU   8          3HD2      LEU   8  -3.917  -0.275   8.821
   63    H    TYR   9           H        TYR   9  -6.327  -1.725   7.958
   64    HA   TYR   9           HA       TYR   9  -8.967  -3.000   8.228
   65   1HB   TYR   9          2HB       TYR   9  -8.506  -0.021   8.008
   66   2HB   TYR   9          1HB       TYR   9 -10.021  -0.847   8.352
   67    HD1  TYR   9           1HD      TYR   9  -7.277   0.839   9.771
   68    HD2  TYR   9           2HD      TYR   9 -10.018  -2.326  10.526
   69    HE1  TYR   9           1HE      TYR   9  -6.829   1.033  12.180
   70    HE2  TYR   9           2HE      TYR   9  -9.578  -2.139  12.937
   71    HH   TYR   9           HH       TYR   9  -8.600   0.115  14.461
   72    HA   PRO  10           HA       PRO  10  -9.634  -3.188   3.884
   73   1HB   PRO  10          2HB       PRO  10 -11.722  -1.070   4.236
   74   2HB   PRO  10          1HB       PRO  10 -11.808  -2.594   3.344
   75   1HG   PRO  10          2HG       PRO  10 -12.930  -2.368   5.747
   76   2HG   PRO  10          1HG       PRO  10 -12.096  -3.858   5.268
   77   1HD   PRO  10          2HD       PRO  10 -11.239  -1.734   7.158
   78   2HD   PRO  10          1HD       PRO  10 -10.852  -3.465   7.152
   79    H    PHE  11           H        PHE  11  -9.094  -2.135   1.972
   80    HA   PHE  11           HA       PHE  11  -7.709   0.410   2.337
   81   1HB   PHE  11          2HB       PHE  11  -6.339  -1.239   1.311
   82   2HB   PHE  11          1HB       PHE  11  -7.613  -1.704   0.189
   83    HD1  PHE  11           1HD      PHE  11  -6.284   1.660   1.079
   84    HD2  PHE  11           2HD      PHE  11  -6.796  -1.308  -1.926
   85    HE1  PHE  11           1HE      PHE  11  -5.375   3.211  -0.602
   86    HE2  PHE  11           2HE      PHE  11  -5.887   0.235  -3.609
   87    HZ   PHE  11           HZ       PHE  11  -5.173   2.497  -2.951
   88    H    SER  12           H        SER  12  -8.409   2.278   1.514
   89    HA   SER  12           HA       SER  12 -10.551   2.214  -0.503
   90   1HB   SER  12          2HB       SER  12 -10.442   3.730   2.085
   91   2HB   SER  12          1HB       SER  12 -11.349   4.378   0.719
   92    HG   SER  12           HG       SER  12 -12.830   3.149   1.660
   93    H    SER  13           H        SER  13 -10.508   3.827  -2.055
   94    HA   SER  13           HA       SER  13  -8.838   6.108  -1.935
   95   1HB   SER  13          2HB       SER  13  -7.689   3.627  -3.055
   96   2HB   SER  13          1HB       SER  13  -7.495   5.064  -4.057
   97    HG   SER  13           HG       SER  13  -6.260   5.973  -2.556
   98    H    VAL  14           H        VAL  14  -8.818   7.310  -3.998
   99    HA   VAL  14           HA       VAL  14 -10.366   6.505  -6.215
  100    HB   VAL  14           HB       VAL  14 -12.244   6.719  -4.690
  101   1HG1  VAL  14          1HG1      VAL  14 -11.862   9.642  -4.418
  102   2HG1  VAL  14          2HG1      VAL  14 -10.874   8.584  -3.410
  103   3HG1  VAL  14          3HG1      VAL  14 -12.633   8.490  -3.328
  104   1HG2  VAL  14          1HG2      VAL  14 -12.463   7.382  -7.090
  105   2HG2  VAL  14          2HG2      VAL  14 -12.228   9.058  -6.593
  106   3HG2  VAL  14          3HG2      VAL  14 -13.628   8.154  -6.016
  107    H    THR  15           H        THR  15  -8.587   7.373  -7.298
  108    HA   THR  15           HA       THR  15  -8.795  10.173  -7.886
  109    HB   THR  15           HB       THR  15  -6.078   9.354  -6.944
  110    HG1  THR  15           1HG      THR  15  -8.090  10.407  -5.248
  111   1HG2  THR  15          1HG2      THR  15  -6.538  11.911  -6.121
  112   2HG2  THR  15          2HG2      THR  15  -7.441  11.835  -7.634
  113   3HG2  THR  15          3HG2      THR  15  -5.721  11.448  -7.613
  114    H    GLU  16           H        GLU  16  -6.963  10.810  -9.469
  115    HA   GLU  16           HA       GLU  16  -7.091   9.059 -11.669
  116   1HB   GLU  16          2HB       GLU  16  -6.726  11.098 -12.545
  117   2HB   GLU  16          1HB       GLU  16  -5.981  11.693 -11.070
  118   1HG   GLU  16          2HG       GLU  16  -4.424  11.855 -12.885
  119   2HG   GLU  16          1HG       GLU  16  -3.866  10.634 -11.742
  120    H    GLU  17           H        GLU  17  -4.707   9.526  -9.150
  121    HA   GLU  17           HA       GLU  17  -2.899   7.623 -10.455
  122   1HB   GLU  17          2HB       GLU  17  -2.303   9.045  -7.873
  123   2HB   GLU  17          1HB       GLU  17  -1.181   8.385  -9.052
  124   1HG   GLU  17          2HG       GLU  17  -1.304  10.203 -10.407
  125   2HG   GLU  17          1HG       GLU  17  -2.957  10.587  -9.934
  126    H    GLU  18           H        GLU  18  -4.441   8.175  -7.296
  127    HA   GLU  18           HA       GLU  18  -3.694   5.707  -6.166
  128   1HB   GLU  18          2HB       GLU  18  -6.247   7.112  -5.426
  129   2HB   GLU  18          1HB       GLU  18  -5.148   6.212  -4.394
  130   1HG   GLU  18          2HG       GLU  18  -3.477   8.021  -4.696
  131   2HG   GLU  18          1HG       GLU  18  -4.693   8.935  -5.584
  132    H    LEU  19           H        LEU  19  -5.027   3.806  -5.793
  133    HA   LEU  19           HA       LEU  19  -7.467   3.542  -7.325
  134   1HB   LEU  19          2HB       LEU  19  -6.835   1.876  -8.790
  135   2HB   LEU  19          1HB       LEU  19  -5.479   2.978  -8.837
  136    HG   LEU  19           HG       LEU  19  -4.473   0.902  -8.821
  137   1HD1  LEU  19          1HD1      LEU  19  -3.897   2.493  -6.812
  138   2HD1  LEU  19          2HD1      LEU  19  -3.142   0.915  -7.019
  139   3HD1  LEU  19          3HD1      LEU  19  -4.473   1.109  -5.882
  140   1HD2  LEU  19          1HD2      LEU  19  -5.731  -0.375  -6.534
  141   2HD2  LEU  19          2HD2      LEU  19  -5.426  -0.996  -8.158
  142   3HD2  LEU  19          3HD2      LEU  19  -6.866  -0.036  -7.839
  143    H    ASN  20           H        ASN  20  -8.632   1.509  -6.851
  144    HA   ASN  20           HA       ASN  20  -8.117   0.761  -4.067
  145   1HB   ASN  20          2HB       ASN  20 -10.502  -0.103  -4.183
  146   2HB   ASN  20          1HB       ASN  20 -10.292   1.639  -4.339
  147   1HD2  ASN  20          1HD2      ASN  20 -10.598  -1.312  -6.265
  148   2HD2  ASN  20          2HD2      ASN  20 -11.467  -0.579  -7.567
  149    H    PHE  21           H        PHE  21  -8.343  -1.340  -3.304
  150    HA   PHE  21           HA       PHE  21  -8.106  -3.527  -5.261
  151   1HB   PHE  21          2HB       PHE  21  -6.438  -3.296  -2.753
  152   2HB   PHE  21          1HB       PHE  21  -6.351  -4.567  -3.961
  153    HD1  PHE  21           1HD      PHE  21  -5.913  -3.601  -6.429
  154    HD2  PHE  21           2HD      PHE  21  -4.794  -1.734  -2.776
  155    HE1  PHE  21           1HE      PHE  21  -4.133  -2.384  -7.591
  156    HE2  PHE  21           2HE      PHE  21  -3.013  -0.505  -3.938
  157    HZ   PHE  21           HZ       PHE  21  -2.677  -0.836  -6.352
  158    H    GLU  22           H        GLU  22  -8.466  -5.674  -4.239
  159    HA   GLU  22           HA       GLU  22 -10.836  -5.709  -2.685
  160   1HB   GLU  22          2HB       GLU  22  -9.369  -7.563  -4.186
  161   2HB   GLU  22          1HB       GLU  22  -9.304  -8.182  -2.542
  162   1HG   GLU  22          2HG       GLU  22 -11.720  -8.168  -2.408
  163   2HG   GLU  22          1HG       GLU  22 -11.825  -7.456  -4.018
  164    H    LYS  23           H        LYS  23 -10.084  -7.849  -0.778
  165    HA   LYS  23           HA       LYS  23  -9.532  -6.322   1.459
  166   1HB   LYS  23          2HB       LYS  23 -10.011  -8.279   2.428
  167   2HB   LYS  23          1HB       LYS  23  -9.883  -9.083   0.877
  168   1HG   LYS  23          2HG       LYS  23  -8.473 -10.208   2.447
  169   2HG   LYS  23          1HG       LYS  23  -7.459  -9.386   1.267
  170   1HD   LYS  23          2HD       LYS  23  -7.020  -9.290   3.913
  171   2HD   LYS  23          1HD       LYS  23  -6.556  -7.989   2.819
  172   1HE   LYS  23          2HE       LYS  23  -7.681  -7.089   4.769
  173   2HE   LYS  23          1HE       LYS  23  -8.681  -6.843   3.339
  174   1HZ   LYS  23          1HZ       LYS  23  -9.600  -9.190   4.204
  175   2HZ   LYS  23          2HZ       LYS  23 -10.266  -7.702   4.656
  176   3HZ   LYS  23          3HZ       LYS  23  -9.169  -8.483   5.679
  177    H    GLY  24           H        GLY  24  -7.774  -5.367   2.232
  178   1HA   GLY  24          2HA       GLY  24  -5.157  -6.216   1.162
  179   2HA   GLY  24          1HA       GLY  24  -5.590  -4.525   1.355
  180    H    GLU  25           H        GLU  25  -4.777  -7.483   3.023
  181    HA   GLU  25           HA       GLU  25  -4.489  -6.063   5.546
  182   1HB   GLU  25          2HB       GLU  25  -5.329  -8.645   4.936
  183   2HB   GLU  25          1HB       GLU  25  -3.700  -8.865   5.563
  184   1HG   GLU  25          2HG       GLU  25  -4.243  -8.058   7.644
  185   2HG   GLU  25          1HG       GLU  25  -5.624  -7.142   7.042
  186    H    THR  26           H        THR  26  -2.774  -7.290   2.905
  187    HA   THR  26           HA       THR  26  -0.252  -6.417   4.076
  188    HB   THR  26           HB       THR  26   0.784  -8.414   2.780
  189    HG1  THR  26           1HG      THR  26  -1.170  -9.115   1.840
  190   1HG2  THR  26          1HG2      THR  26   1.258  -8.963   4.870
  191   2HG2  THR  26          2HG2      THR  26  -0.243  -9.890   4.889
  192   3HG2  THR  26          3HG2      THR  26  -0.227  -8.224   5.469
  193    H    MET  27           H        MET  27   0.844  -5.132   2.764
  194    HA   MET  27           HA       MET  27   0.469  -5.310  -0.136
  195   1HB   MET  27          2HB       MET  27  -0.142  -2.964   1.600
  196   2HB   MET  27          1HB       MET  27   0.584  -2.660   0.029
  197   1HG   MET  27          2HG       MET  27  -1.565  -2.579  -0.620
  198   2HG   MET  27          1HG       MET  27  -1.363  -4.328  -0.718
  199   1HE   MET  27          1HE       MET  27  -4.610  -3.573  -0.278
  200   2HE   MET  27          2HE       MET  27  -3.655  -2.093  -0.338
  201   3HE   MET  27          3HE       MET  27  -4.705  -2.409   1.043
  202    H    GLU  28           H        GLU  28   2.164  -4.003  -1.308
  203    HA   GLU  28           HA       GLU  28   4.634  -3.832   0.300
  204   1HB   GLU  28          2HB       GLU  28   4.697  -4.603  -2.582
  205   2HB   GLU  28          1HB       GLU  28   5.901  -4.892  -1.342
  206   1HG   GLU  28          2HG       GLU  28   4.027  -6.398  -0.306
  207   2HG   GLU  28          1HG       GLU  28   3.402  -6.392  -1.954
  208    H    VAL  29           H        VAL  29   5.316  -1.824   0.373
  209    HA   VAL  29           HA       VAL  29   4.639   0.025  -1.779
  210    HB   VAL  29           HB       VAL  29   5.580   0.407   1.052
  211   1HG1  VAL  29          1HG1      VAL  29   5.229   2.935   0.344
  212   2HG1  VAL  29          2HG1      VAL  29   5.780   2.316  -1.213
  213   3HG1  VAL  29          3HG1      VAL  29   6.799   2.144   0.217
  214   1HG2  VAL  29          1HG2      VAL  29   3.097   0.164   0.002
  215   2HG2  VAL  29          2HG2      VAL  29   3.308   1.915  -0.024
  216   3HG2  VAL  29          3HG2      VAL  29   3.474   1.028   1.492
  217    H    ILE  30           H        ILE  30   6.044   0.662  -3.233
  218    HA   ILE  30           HA       ILE  30   8.704  -0.410  -3.242
  219    HB   ILE  30           HB       ILE  30   8.728   1.251  -5.385
  220   1HG1  ILE  30          2HG1      ILE  30   6.222   1.746  -4.629
  221   2HG1  ILE  30          1HG1      ILE  30   6.667   1.645  -6.323
  222   1HG2  ILE  30          1HG2      ILE  30   7.698  -0.866  -6.568
  223   2HG2  ILE  30          2HG2      ILE  30   7.912  -1.569  -4.964
  224   3HG2  ILE  30          3HG2      ILE  30   9.298  -0.903  -5.827
  225   1HD1  ILE  30          1HD1      ILE  30   5.410  -0.541  -4.688
  226   2HD1  ILE  30          2HD1      ILE  30   5.898  -0.681  -6.376
  227   3HD1  ILE  30          3HD1      ILE  30   4.619   0.438  -5.919
  228    H    GLU  31           H        GLU  31   7.831   2.939  -4.068
  229    HA   GLU  31           HA       GLU  31  10.367   3.832  -3.011
  230   1HB   GLU  31          2HB       GLU  31   9.736   6.022  -3.935
  231   2HB   GLU  31          1HB       GLU  31   9.606   4.736  -5.128
  232   1HG   GLU  31          2HG       GLU  31   7.088   4.807  -4.058
  233   2HG   GLU  31          1HG       GLU  31   7.562   6.506  -4.046
  234    H    LYS  32           H        LYS  32  10.743   4.989  -1.228
  235    HA   LYS  32           HA       LYS  32   8.550   5.332   0.653
  236   1HB   LYS  32          2HB       LYS  32  11.481   5.779   1.183
  237   2HB   LYS  32          1HB       LYS  32  10.204   5.452   2.340
  238   1HG   LYS  32          2HG       LYS  32  11.373   3.532   0.350
  239   2HG   LYS  32          1HG       LYS  32  11.549   3.493   2.105
  240   1HD   LYS  32          2HD       LYS  32   9.348   2.813   2.436
  241   2HD   LYS  32          1HD       LYS  32   8.833   3.374   0.844
  242   1HE   LYS  32          2HE       LYS  32   9.386   0.779   1.509
  243   2HE   LYS  32          1HE       LYS  32   9.349   1.431  -0.128
  244   1HZ   LYS  32          1HZ       LYS  32  11.665   1.627  -0.170
  245   2HZ   LYS  32          2HZ       LYS  32  11.396   0.127   0.561
  246   3HZ   LYS  32          3HZ       LYS  32  11.817   1.463   1.509
  247    HA   PRO  33           HA       PRO  33   8.455   9.715   0.237
  248   1HB   PRO  33          2HB       PRO  33   8.081  10.120   3.096
  249   2HB   PRO  33          1HB       PRO  33   6.908  10.280   1.787
  250   1HG   PRO  33          2HG       PRO  33   6.779   8.297   3.630
  251   2HG   PRO  33          1HG       PRO  33   6.216   8.095   1.959
  252   1HD   PRO  33          2HD       PRO  33   8.806   7.226   3.202
  253   2HD   PRO  33          1HD       PRO  33   7.737   6.337   2.097
  254    H    GLU  34           H        GLU  34  11.032   8.284   1.632
  255    HA   GLU  34           HA       GLU  34  12.302  10.289   3.108
  256   1HB   GLU  34          2HB       GLU  34  14.395   9.095   2.584
  257   2HB   GLU  34          1HB       GLU  34  13.119   7.996   3.088
  258   1HG   GLU  34          2HG       GLU  34  12.756   7.263   0.859
  259   2HG   GLU  34          1HG       GLU  34  13.794   8.532   0.210
  260    H    ASN  35           H        ASN  35  12.044   9.750  -0.342
  261    HA   ASN  35           HA       ASN  35  13.802  12.025  -0.890
  262   1HB   ASN  35          2HB       ASN  35  13.460  11.300  -3.301
  263   2HB   ASN  35          1HB       ASN  35  14.307  10.151  -2.270
  264   1HD2  ASN  35          1HD2      ASN  35  13.590   8.141  -2.221
  265   2HD2  ASN  35          2HD2      ASN  35  12.058   7.601  -2.811
  266    H    ASP  36           H        ASP  36  10.508  10.876  -1.500
  267    HA   ASP  36           HA       ASP  36   9.717  13.665  -2.027
  268   1HB   ASP  36          2HB       ASP  36   9.064  11.158  -3.486
  269   2HB   ASP  36          1HB       ASP  36   7.765  12.330  -3.296
  270    HA   PRO  37           HA       PRO  37   7.300  12.441   1.627
  271   1HB   PRO  37          2HB       PRO  37   6.978  14.917   2.626
  272   2HB   PRO  37          1HB       PRO  37   8.496  14.028   2.802
  273   1HG   PRO  37          2HG       PRO  37   7.780  16.190   0.860
  274   2HG   PRO  37          1HG       PRO  37   9.282  15.958   1.773
  275   1HD   PRO  37          2HD       PRO  37   8.972  15.239  -0.848
  276   2HD   PRO  37          1HD       PRO  37  10.114  14.454   0.260
  277    H    GLU  38           H        GLU  38   5.919  12.245  -0.661
  278    HA   GLU  38           HA       GLU  38   3.587  13.985  -0.248
  279   1HB   GLU  38          2HB       GLU  38   5.147  13.498  -2.603
  280   2HB   GLU  38          1HB       GLU  38   3.515  12.905  -2.858
  281   1HG   GLU  38          2HG       GLU  38   4.292  15.689  -2.020
  282   2HG   GLU  38          1HG       GLU  38   3.732  15.194  -3.616
  283    H    TRP  39           H        TRP  39   4.089  11.061  -2.207
  284    HA   TRP  39           HA       TRP  39   2.394   9.489  -0.443
  285   1HB   TRP  39          2HB       TRP  39   1.562   9.435  -3.294
  286   2HB   TRP  39          1HB       TRP  39   0.600   9.174  -1.850
  287    HD1  TRP  39           HD       TRP  39  -0.248  11.462  -0.560
  288    HE1  TRP  39           1HE      TRP  39  -0.812  13.776  -1.539
  289    HE3  TRP  39           3HE      TRP  39   2.169  11.056  -5.046
  290    HZ2  TRP  39           2HZ      TRP  39  -0.297  15.236  -3.904
  291    HZ3  TRP  39           3HZ      TRP  39   2.085  12.953  -6.610
  292    HH2  TRP  39           HH       TRP  39   0.877  14.999  -6.049
  293    H    TRP  40           H        TRP  40   2.333   7.211  -1.035
  294    HA   TRP  40           HA       TRP  40   4.577   6.447  -2.781
  295   1HB   TRP  40          2HB       TRP  40   4.566   4.286  -1.352
  296   2HB   TRP  40          1HB       TRP  40   5.319   5.731  -0.693
  297    HD1  TRP  40           HD       TRP  40   1.640   4.435  -0.568
  298    HE1  TRP  40           1HE      TRP  40   0.879   4.523   1.879
  299    HE3  TRP  40           3HE      TRP  40   5.936   6.160   1.554
  300    HZ2  TRP  40           2HZ      TRP  40   1.970   5.248   4.401
  301    HZ3  TRP  40           3HZ      TRP  40   6.011   6.527   3.981
  302    HH2  TRP  40           HH       TRP  40   4.062   6.080   5.377
  303    H    LYS  41           H        LYS  41   4.196   3.900  -3.286
  304    HA   LYS  41           HA       LYS  41   1.438   3.354  -3.881
  305   1HB   LYS  41          2HB       LYS  41   2.050   2.903  -6.330
  306   2HB   LYS  41          1HB       LYS  41   1.749   4.560  -5.838
  307   1HG   LYS  41          2HG       LYS  41   3.624   4.732  -7.136
  308   2HG   LYS  41          1HG       LYS  41   4.299   4.677  -5.515
  309   1HD   LYS  41          2HD       LYS  41   5.634   3.117  -6.517
  310   2HD   LYS  41          1HD       LYS  41   4.296   2.083  -6.044
  311   1HE   LYS  41          2HE       LYS  41   5.314   2.614  -8.655
  312   2HE   LYS  41          1HE       LYS  41   4.093   1.448  -8.147
  313   1HZ   LYS  41          1HZ       LYS  41   3.683   4.254  -9.013
  314   2HZ   LYS  41          2HZ       LYS  41   2.481   3.365  -8.222
  315   3HZ   LYS  41          3HZ       LYS  41   3.071   2.843  -9.718
  316    H    CYS  42           H        CYS  42   0.982   1.220  -4.081
  317    HA   CYS  42           HA       CYS  42   3.273  -0.607  -4.107
  318   1HB   CYS  42          2HB       CYS  42   1.873  -2.026  -2.467
  319   2HB   CYS  42          1HB       CYS  42   2.703  -0.615  -1.821
  320    HG   CYS  42           HG       CYS  42   0.267   0.591  -2.052
  321    H    LYS  43           H        LYS  43   2.793  -2.747  -4.871
  322    HA   LYS  43           HA       LYS  43   0.652  -2.748  -6.841
  323   1HB   LYS  43          2HB       LYS  43   1.768  -4.696  -7.783
  324   2HB   LYS  43          1HB       LYS  43   2.918  -3.388  -7.549
  325   1HG   LYS  43          2HG       LYS  43   3.312  -4.626  -5.248
  326   2HG   LYS  43          1HG       LYS  43   2.710  -6.005  -6.170
  327   1HD   LYS  43          2HD       LYS  43   4.761  -4.325  -7.482
  328   2HD   LYS  43          1HD       LYS  43   5.295  -5.295  -6.109
  329   1HE   LYS  43          2HE       LYS  43   5.575  -6.474  -8.248
  330   2HE   LYS  43          1HE       LYS  43   4.460  -7.308  -7.166
  331   1HZ   LYS  43          1HZ       LYS  43   3.280  -5.415  -9.035
  332   2HZ   LYS  43          2HZ       LYS  43   2.716  -6.924  -8.521
  333   3HZ   LYS  43          3HZ       LYS  43   3.917  -6.831  -9.709
  334    H    ASN  44           H        ASN  44  -1.043  -4.036  -6.850
  335    HA   ASN  44           HA       ASN  44  -1.464  -5.744  -4.501
  336   1HB   ASN  44          2HB       ASN  44  -2.996  -3.695  -5.078
  337   2HB   ASN  44          1HB       ASN  44  -3.697  -4.797  -6.254
  338   1HD2  ASN  44          1HD2      ASN  44  -3.281  -4.061  -2.899
  339   2HD2  ASN  44          2HD2      ASN  44  -4.437  -5.193  -2.293
  340    H    ALA  45           H        ALA  45  -3.178  -7.507  -5.050
  341    HA   ALA  45           HA       ALA  45  -1.985  -9.129  -7.055
  342   1HB   ALA  45          1HB       ALA  45  -4.483  -9.522  -5.412
  343   2HB   ALA  45          2HB       ALA  45  -2.880 -10.178  -5.083
  344   3HB   ALA  45          3HB       ALA  45  -3.794 -10.742  -6.482
  345    H    ARG  46           H        ARG  46  -4.039  -6.584  -7.279
  346    HA   ARG  46           HA       ARG  46  -5.773  -7.541  -9.374
  347   1HB   ARG  46          2HB       ARG  46  -5.291  -4.883  -8.057
  348   2HB   ARG  46          1HB       ARG  46  -6.281  -5.013  -9.500
  349   1HG   ARG  46          2HG       ARG  46  -7.398  -5.012  -7.186
  350   2HG   ARG  46          1HG       ARG  46  -7.964  -6.149  -8.407
  351   1HD   ARG  46          2HD       ARG  46  -5.869  -6.928  -6.407
  352   2HD   ARG  46          1HD       ARG  46  -7.578  -6.971  -5.987
  353    HE   ARG  46           HE       ARG  46  -6.195  -8.883  -7.529
  354   1HH1  ARG  46          1HH1      ARG  46  -9.252  -7.208  -7.379
  355   2HH1  ARG  46          2HH1      ARG  46 -10.125  -8.472  -8.180
  356   1HH2  ARG  46          1HH2      ARG  46  -7.342 -10.548  -8.575
  357   2HH2  ARG  46          2HH2      ARG  46  -9.042 -10.367  -8.856
  358    H    GLY  47           H        GLY  47  -2.561  -6.729  -9.232
  359   1HA   GLY  47          2HA       GLY  47  -1.018  -6.448 -10.931
  360   2HA   GLY  47          1HA       GLY  47  -2.345  -6.430 -12.085
  361    H    GLN  48           H        GLN  48  -3.000  -4.288  -9.634
  362    HA   GLN  48           HA       GLN  48  -1.918  -2.016 -11.151
  363   1HB   GLN  48          2HB       GLN  48  -4.017  -0.930  -9.817
  364   2HB   GLN  48          1HB       GLN  48  -4.085  -1.506 -11.470
  365   1HG   GLN  48          2HG       GLN  48  -4.719  -3.779 -10.316
  366   2HG   GLN  48          1HG       GLN  48  -5.194  -2.711  -8.996
  367   1HE2  GLN  48          1HE2      GLN  48  -6.074  -0.533 -10.498
  368   2HE2  GLN  48          2HE2      GLN  48  -7.517  -0.988 -11.333
  369    H    VAL  49           H        VAL  49  -0.902  -0.413 -10.093
  370    HA   VAL  49           HA       VAL  49  -0.967  -0.457  -7.168
  371    HB   VAL  49           HB       VAL  49   1.135  -1.356  -7.277
  372   1HG1  VAL  49          1HG1      VAL  49   1.178  -1.454  -9.727
  373   2HG1  VAL  49          2HG1      VAL  49   2.739  -1.103  -8.982
  374   3HG1  VAL  49          3HG1      VAL  49   1.805   0.194  -9.731
  375   1HG2  VAL  49          1HG2      VAL  49   2.061   1.429  -7.789
  376   2HG2  VAL  49          2HG2      VAL  49   2.644   0.256  -6.608
  377   3HG2  VAL  49          3HG2      VAL  49   1.095   1.062  -6.359
  378    H    GLY  50           H        GLY  50  -1.419   1.437  -6.377
  379   1HA   GLY  50          2HA       GLY  50  -0.808   3.814  -7.991
  380   2HA   GLY  50          1HA       GLY  50  -2.409   3.580  -7.315
  381    H    LEU  51           H        LEU  51  -1.931   5.662  -6.339
  382    HA   LEU  51           HA       LEU  51   0.032   5.651  -4.231
  383   1HB   LEU  51          2HB       LEU  51  -1.796   7.682  -5.406
  384   2HB   LEU  51          1HB       LEU  51  -1.079   7.981  -3.834
  385    HG   LEU  51           HG       LEU  51   0.913   8.488  -4.721
  386   1HD1  LEU  51          1HD1      LEU  51   0.540   6.112  -6.478
  387   2HD1  LEU  51          2HD1      LEU  51   1.729   6.387  -5.206
  388   3HD1  LEU  51          3HD1      LEU  51   1.862   7.247  -6.738
  389   1HD2  LEU  51          1HD2      LEU  51  -1.030   9.341  -6.383
  390   2HD2  LEU  51          2HD2      LEU  51   0.011   8.463  -7.503
  391   3HD2  LEU  51          3HD2      LEU  51   0.671   9.781  -6.536
  392    H    VAL  52           H        VAL  52  -0.270   5.277  -2.174
  393    HA   VAL  52           HA       VAL  52  -3.010   5.183  -1.105
  394    HB   VAL  52           HB       VAL  52  -2.375   2.899  -1.595
  395   1HG1  VAL  52          1HG1      VAL  52   0.077   3.419   0.087
  396   2HG1  VAL  52          2HG1      VAL  52   0.045   3.226  -1.666
  397   3HG1  VAL  52          3HG1      VAL  52  -0.383   1.872  -0.622
  398   1HG2  VAL  52          1HG2      VAL  52  -2.290   3.598   1.337
  399   2HG2  VAL  52          2HG2      VAL  52  -2.375   1.940   0.745
  400   3HG2  VAL  52          3HG2      VAL  52  -3.676   3.071   0.385
  401    HA   PRO  53           HA       PRO  53  -1.025   7.359   2.294
  402   1HB   PRO  53          2HB       PRO  53  -3.149   7.879   3.714
  403   2HB   PRO  53          1HB       PRO  53  -3.164   8.402   2.015
  404   1HG   PRO  53          2HG       PRO  53  -4.216   5.830   3.165
  405   2HG   PRO  53          1HG       PRO  53  -5.147   7.056   2.261
  406   1HD   PRO  53          2HD       PRO  53  -4.059   4.884   1.069
  407   2HD   PRO  53          1HD       PRO  53  -4.142   6.458   0.244
  408    H    LYS  54           H        LYS  54  -0.250   4.803   2.564
  409    HA   LYS  54           HA       LYS  54  -1.275   3.070   4.373
  410   1HB   LYS  54          2HB       LYS  54   1.435   3.677   3.448
  411   2HB   LYS  54          1HB       LYS  54   1.365   2.830   4.973
  412   1HG   LYS  54          2HG       LYS  54   1.531   1.531   2.736
  413   2HG   LYS  54          1HG       LYS  54   0.498   0.941   4.028
  414   1HD   LYS  54          2HD       LYS  54  -1.065   2.693   2.459
  415   2HD   LYS  54          1HD       LYS  54  -0.186   1.648   1.348
  416   1HE   LYS  54          2HE       LYS  54  -1.246   0.158   3.589
  417   2HE   LYS  54          1HE       LYS  54  -2.517   1.033   2.737
  418   1HZ   LYS  54          1HZ       LYS  54  -2.202  -1.160   1.803
  419   2HZ   LYS  54          2HZ       LYS  54  -0.567  -0.840   1.507
  420   3HZ   LYS  54          3HZ       LYS  54  -1.761   0.016   0.669
  421    H    ASN  55           H        ASN  55  -0.342   6.234   5.199
  422    HA   ASN  55           HA       ASN  55   0.742   6.117   7.693
  423   1HB   ASN  55          2HB       ASN  55  -0.347   8.102   6.214
  424   2HB   ASN  55          1HB       ASN  55  -1.566   7.955   7.476
  425   1HD2  ASN  55          1HD2      ASN  55  -0.170   7.402   9.686
  426   2HD2  ASN  55          2HD2      ASN  55   0.928   8.681  10.061
  427    H    TYR  56           H        TYR  56  -2.357   4.910   6.766
  428    HA   TYR  56           HA       TYR  56  -3.207   4.673   9.566
  429   1HB   TYR  56          2HB       TYR  56  -5.415   4.334   8.784
  430   2HB   TYR  56          1HB       TYR  56  -4.761   5.615   7.777
  431    HD1  TYR  56           1HD      TYR  56  -6.018   2.200   7.843
  432    HD2  TYR  56           2HD      TYR  56  -4.208   5.192   5.426
  433    HE1  TYR  56           1HE      TYR  56  -6.637   0.937   5.828
  434    HE2  TYR  56           2HE      TYR  56  -4.816   3.937   3.403
  435    HH   TYR  56           HH       TYR  56  -6.853   2.084   2.934
  436    H    VAL  57           H        VAL  57  -1.065   3.123   8.423
  437    HA   VAL  57           HA       VAL  57  -2.083   0.450   9.033
  438    HB   VAL  57           HB       VAL  57  -1.542  -0.540   7.043
  439   1HG1  VAL  57          1HG1      VAL  57  -2.003   2.263   6.045
  440   2HG1  VAL  57          2HG1      VAL  57  -3.270   1.140   6.541
  441   3HG1  VAL  57          3HG1      VAL  57  -2.262   0.770   5.142
  442   1HG2  VAL  57          1HG2      VAL  57   0.803   0.024   7.022
  443   2HG2  VAL  57          2HG2      VAL  57   0.431   1.658   6.481
  444   3HG2  VAL  57          3HG2      VAL  57   0.110   0.286   5.427
  445    H    VAL  58           H        VAL  58  -0.096  -1.117   8.911
  446    HA   VAL  58           HA       VAL  58   2.174   0.230  10.221
  447    HB   VAL  58           HB       VAL  58   1.035  -1.428  11.652
  448   1HG1  VAL  58          1HG1      VAL  58   0.422  -3.471  10.986
  449   2HG1  VAL  58          2HG1      VAL  58   1.967  -3.777  10.195
  450   3HG1  VAL  58          3HG1      VAL  58   0.707  -2.879   9.349
  451   1HG2  VAL  58          1HG2      VAL  58   2.962  -2.336  12.515
  452   2HG2  VAL  58          2HG2      VAL  58   3.621  -1.046  11.508
  453   3HG2  VAL  58          3HG2      VAL  58   3.627  -2.709  10.925
  454    H    VAL  59           H        VAL  59   3.808   0.512   8.831
  455    HA   VAL  59           HA       VAL  59   4.003  -0.954   6.408
  456    HB   VAL  59           HB       VAL  59   6.155   0.779   7.611
  457   1HG1  VAL  59          1HG1      VAL  59   6.246   1.008   4.873
  458   2HG1  VAL  59          2HG1      VAL  59   5.830  -0.691   5.103
  459   3HG1  VAL  59          3HG1      VAL  59   7.287  -0.035   5.850
  460   1HG2  VAL  59          1HG2      VAL  59   4.005   1.612   5.667
  461   2HG2  VAL  59          2HG2      VAL  59   5.213   2.636   6.442
  462   3HG2  VAL  59          3HG2      VAL  59   3.924   1.912   7.403
  463    H    LEU  60           H        LEU  60   5.508  -2.400   5.721
  464    HA   LEU  60           HA       LEU  60   6.776  -3.963   7.800
  465   1HB   LEU  60          2HB       LEU  60   5.371  -4.550   5.345
  466   2HB   LEU  60          1HB       LEU  60   6.955  -5.295   5.343
  467    HG   LEU  60           HG       LEU  60   6.443  -6.694   7.126
  468   1HD1  LEU  60          1HD1      LEU  60   4.258  -6.286   8.455
  469   2HD1  LEU  60          2HD1      LEU  60   4.400  -4.636   7.849
  470   3HD1  LEU  60          3HD1      LEU  60   5.690  -5.329   8.832
  471   1HD2  LEU  60          1HD2      LEU  60   3.640  -6.600   6.231
  472   2HD2  LEU  60          2HD2      LEU  60   4.778  -7.946   6.264
  473   3HD2  LEU  60          3HD2      LEU  60   4.847  -6.765   4.957
  474    H    SER  61           H        SER  61   8.860  -4.848   7.255
  475    HA   SER  61           HA       SER  61  10.531  -3.894   5.217
  476   1HB   SER  61          2HB       SER  61  10.100  -1.897   7.006
  477   2HB   SER  61          1HB       SER  61  11.522  -2.662   7.715
  478    HG   SER  61           HG       SER  61  11.249  -1.632   5.086
  Start of MODEL    4
    1   1H    GLY   1          1HT       GLY   1  14.503 -10.465   4.668
    2   2H    GLY   1          2HT       GLY   1  13.827 -10.987   3.209
    3   3H    GLY   1          3HT       GLY   1  13.205  -9.621   3.987
    4   1HA   GLY   1          1HA       GLY   1  15.655  -8.766   3.730
    5   2HA   GLY   1          2HA       GLY   1  15.651  -9.917   2.403
    6    H    SER   2           H        SER   2  12.697  -9.427   2.046
    7    HA   SER   2           HA       SER   2  13.003  -7.132   0.286
    8   1HB   SER   2          2HB       SER   2  11.561  -9.545   0.143
    9   2HB   SER   2          1HB       SER   2  10.342  -8.273   0.278
   10    HG   SER   2           HG       SER   2  10.713  -8.140  -1.803
   11    H    HIS   3           H        HIS   3  11.837  -5.249   0.418
   12    HA   HIS   3           HA       HIS   3  10.771  -4.615   3.031
   13   1HB   HIS   3          2HB       HIS   3  10.205  -2.405   1.533
   14   2HB   HIS   3          1HB       HIS   3  11.710  -2.668   2.399
   15    HD1  HIS   3           1HD      HIS   3  13.802  -2.710   1.023
   16    HD2  HIS   3           2HD      HIS   3  10.371  -3.087  -1.291
   17    HE1  HIS   3           1HE      HIS   3  14.585  -2.592  -1.365
   18    HE2  HIS   3           2HE      HIS   3  12.498  -2.870  -2.748
   19    H    VAL   4           H        VAL   4   8.744  -4.903   3.587
   20    HA   VAL   4           HA       VAL   4   6.695  -4.851   1.473
   21    HB   VAL   4           HB       VAL   4   5.988  -6.591   3.692
   22   1HG1  VAL   4          1HG1      VAL   4   6.208  -6.978   0.708
   23   2HG1  VAL   4          2HG1      VAL   4   4.756  -6.552   1.614
   24   3HG1  VAL   4          3HG1      VAL   4   5.490  -8.142   1.820
   25   1HG2  VAL   4          1HG2      VAL   4   8.215  -7.251   3.915
   26   2HG2  VAL   4          2HG2      VAL   4   8.516  -7.149   2.180
   27   3HG2  VAL   4          3HG2      VAL   4   7.521  -8.454   2.829
   28    H    VAL   5           H        VAL   5   4.469  -4.596   2.382
   29    HA   VAL   5           HA       VAL   5   4.492  -2.941   4.801
   30    HB   VAL   5           HB       VAL   5   4.291  -1.230   3.318
   31   1HG1  VAL   5          1HG1      VAL   5   3.677  -1.334   1.128
   32   2HG1  VAL   5          2HG1      VAL   5   2.428  -2.534   1.415
   33   3HG1  VAL   5          3HG1      VAL   5   4.121  -3.008   1.394
   34   1HG2  VAL   5          1HG2      VAL   5   1.950  -0.521   3.061
   35   2HG2  VAL   5          2HG2      VAL   5   2.334  -1.064   4.692
   36   3HG2  VAL   5          3HG2      VAL   5   1.433  -2.117   3.599
   37    H    GLN   6           H        GLN   6   2.390  -2.634   5.776
   38    HA   GLN   6           HA       GLN   6   0.493  -4.818   5.263
   39   1HB   GLN   6          2HB       GLN   6   2.349  -4.984   7.276
   40   2HB   GLN   6          1HB       GLN   6   0.975  -4.266   8.112
   41   1HG   GLN   6          2HG       GLN   6  -0.380  -6.103   7.751
   42   2HG   GLN   6          1HG       GLN   6   0.597  -6.683   6.404
   43   1HE2  GLN   6          1HE2      GLN   6   0.652  -8.739   7.388
   44   2HE2  GLN   6          2HE2      GLN   6   1.708  -9.064   8.717
   45    H    THR   7           H        THR   7  -1.661  -4.391   5.883
   46    HA   THR   7           HA       THR   7  -2.151  -1.564   6.574
   47    HB   THR   7           HB       THR   7  -4.535  -2.150   5.771
   48    HG1  THR   7           1HG      THR   7  -4.778  -4.091   5.086
   49   1HG2  THR   7          1HG2      THR   7  -4.099  -1.205   3.785
   50   2HG2  THR   7          2HG2      THR   7  -2.792  -2.330   3.411
   51   3HG2  THR   7          3HG2      THR   7  -2.499  -0.960   4.484
   52    H    LEU   8           H        LEU   8  -4.083  -1.146   7.902
   53    HA   LEU   8           HA       LEU   8  -4.583  -3.286   9.844
   54   1HB   LEU   8          2HB       LEU   8  -4.731  -0.963  11.329
   55   2HB   LEU   8          1HB       LEU   8  -3.450  -2.153  11.386
   56    HG   LEU   8           HG       LEU   8  -2.573   0.115  11.202
   57   1HD1  LEU   8          1HD1      LEU   8  -1.942  -0.961   8.531
   58   2HD1  LEU   8          2HD1      LEU   8  -1.656  -2.023   9.909
   59   3HD1  LEU   8          3HD1      LEU   8  -0.874  -0.444   9.834
   60   1HD2  LEU   8          1HD2      LEU   8  -4.688   0.701   9.682
   61   2HD2  LEU   8          2HD2      LEU   8  -3.483   0.443   8.423
   62   3HD2  LEU   8          3HD2      LEU   8  -3.200   1.649   9.675
   63    H    TYR   9           H        TYR   9  -5.707  -0.317   8.325
   64    HA   TYR   9           HA       TYR   9  -8.433  -0.970   9.244
   65   1HB   TYR   9          2HB       TYR   9  -6.996   1.636   9.024
   66   2HB   TYR   9          1HB       TYR   9  -8.709   1.622   8.618
   67    HD1  TYR   9           1HD      TYR   9  -6.356   1.888  11.245
   68    HD2  TYR   9           2HD      TYR   9 -10.292   0.528  10.378
   69    HE1  TYR   9           1HE      TYR   9  -6.924   2.031  13.633
   70    HE2  TYR   9           2HE      TYR   9 -10.873   0.667  12.763
   71    HH   TYR   9           HH       TYR   9  -9.375   0.551  15.032
   72    HA   PRO  10           HA       PRO  10  -9.369  -1.413   4.900
   73   1HB   PRO  10          2HB       PRO  10 -12.075  -1.412   5.074
   74   2HB   PRO  10          1HB       PRO  10 -11.096  -2.802   5.556
   75   1HG   PRO  10          2HG       PRO  10 -12.343  -0.680   7.257
   76   2HG   PRO  10          1HG       PRO  10 -12.249  -2.429   7.536
   77   1HD   PRO  10          2HD       PRO  10 -10.589  -0.640   8.741
   78   2HD   PRO  10          1HD       PRO  10 -10.110  -2.308   8.367
   79    H    PHE  11           H        PHE  11  -8.473   0.989   5.329
   80    HA   PHE  11           HA       PHE  11 -10.362   3.088   5.131
   81   1HB   PHE  11          2HB       PHE  11  -7.407   2.874   5.097
   82   2HB   PHE  11          1HB       PHE  11  -8.134   4.327   4.413
   83    HD1  PHE  11           1HD      PHE  11  -9.939   5.490   5.886
   84    HD2  PHE  11           2HD      PHE  11  -7.031   2.763   7.370
   85    HE1  PHE  11           1HE      PHE  11 -10.252   6.397   8.151
   86    HE2  PHE  11           2HE      PHE  11  -7.335   3.667   9.638
   87    HZ   PHE  11           HZ       PHE  11  -8.948   5.485  10.032
   88    H    SER  12           H        SER  12 -10.581   4.593   3.468
   89    HA   SER  12           HA       SER  12 -10.746   3.332   0.850
   90   1HB   SER  12          2HB       SER  12 -11.968   5.688   2.220
   91   2HB   SER  12          1HB       SER  12 -11.999   5.610   0.454
   92    HG   SER  12           HG       SER  12 -12.941   3.540   2.152
   93    H    SER  13           H        SER  13 -10.015   4.324  -1.052
   94    HA   SER  13           HA       SER  13  -8.223   6.615  -0.842
   95   1HB   SER  13          2HB       SER  13  -7.388   3.837  -1.616
   96   2HB   SER  13          1HB       SER  13  -6.591   5.227  -2.356
   97    HG   SER  13           HG       SER  13  -6.185   5.966  -0.171
   98    H    VAL  14           H        VAL  14  -9.433   7.883  -2.175
   99    HA   VAL  14           HA       VAL  14  -9.801   6.904  -4.928
  100    HB   VAL  14           HB       VAL  14 -11.862   8.320  -5.049
  101   1HG1  VAL  14          1HG1      VAL  14 -12.225   6.011  -4.895
  102   2HG1  VAL  14          2HG1      VAL  14 -13.246   6.704  -3.635
  103   3HG1  VAL  14          3HG1      VAL  14 -11.708   5.953  -3.211
  104   1HG2  VAL  14          1HG2      VAL  14 -11.735   9.843  -3.304
  105   2HG2  VAL  14          2HG2      VAL  14 -11.256   8.616  -2.132
  106   3HG2  VAL  14          3HG2      VAL  14 -12.920   8.680  -2.712
  107    H    THR  15           H        THR  15  -8.257   7.961  -6.008
  108    HA   THR  15           HA       THR  15  -8.475  10.815  -6.298
  109    HB   THR  15           HB       THR  15  -5.733   9.878  -5.556
  110    HG1  THR  15           1HG      THR  15  -7.754  10.628  -3.715
  111   1HG2  THR  15          1HG2      THR  15  -6.003  12.298  -4.449
  112   2HG2  THR  15          2HG2      THR  15  -7.143  12.452  -5.786
  113   3HG2  THR  15          3HG2      THR  15  -5.459  12.040  -6.107
  114    H    GLU  16           H        GLU  16  -6.690  11.593  -7.884
  115    HA   GLU  16           HA       GLU  16  -6.925  10.058 -10.235
  116   1HB   GLU  16          2HB       GLU  16  -6.069  12.653  -9.547
  117   2HB   GLU  16          1HB       GLU  16  -4.726  11.908 -10.401
  118   1HG   GLU  16          2HG       GLU  16  -6.771  11.203 -12.008
  119   2HG   GLU  16          1HG       GLU  16  -7.370  12.737 -11.378
  120    H    GLU  17           H        GLU  17  -4.421  10.272  -7.794
  121    HA   GLU  17           HA       GLU  17  -2.840   8.297  -9.310
  122   1HB   GLU  17          2HB       GLU  17  -1.779  10.030  -7.079
  123   2HB   GLU  17          1HB       GLU  17  -0.865   9.073  -8.235
  124   1HG   GLU  17          2HG       GLU  17  -0.595  10.990  -9.324
  125   2HG   GLU  17          1HG       GLU  17  -2.250  10.738  -9.880
  126    H    GLU  18           H        GLU  18  -5.115   8.174  -7.146
  127    HA   GLU  18           HA       GLU  18  -3.731   6.447  -5.228
  128   1HB   GLU  18          2HB       GLU  18  -6.309   7.934  -5.204
  129   2HB   GLU  18          1HB       GLU  18  -6.133   6.520  -4.182
  130   1HG   GLU  18          2HG       GLU  18  -3.859   7.843  -3.579
  131   2HG   GLU  18          1HG       GLU  18  -4.938   9.192  -3.930
  132    H    LEU  19           H        LEU  19  -5.605   4.726  -4.400
  133    HA   LEU  19           HA       LEU  19  -6.824   3.452  -6.714
  134   1HB   LEU  19          2HB       LEU  19  -4.345   2.593  -5.616
  135   2HB   LEU  19          1HB       LEU  19  -5.552   1.376  -5.252
  136    HG   LEU  19           HG       LEU  19  -6.164   1.501  -7.729
  137   1HD1  LEU  19          1HD1      LEU  19  -5.060   2.848  -9.082
  138   2HD1  LEU  19          2HD1      LEU  19  -3.511   2.204  -8.540
  139   3HD1  LEU  19          3HD1      LEU  19  -4.264   3.538  -7.673
  140   1HD2  LEU  19          1HD2      LEU  19  -4.828  -0.288  -6.461
  141   2HD2  LEU  19          2HD2      LEU  19  -3.415   0.428  -7.227
  142   3HD2  LEU  19          3HD2      LEU  19  -4.704  -0.250  -8.216
  143    H    ASN  20           H        ASN  20  -8.210   1.668  -6.164
  144    HA   ASN  20           HA       ASN  20  -9.099   1.545  -3.381
  145   1HB   ASN  20          2HB       ASN  20 -11.503   1.435  -4.465
  146   2HB   ASN  20          1HB       ASN  20 -10.760   2.990  -4.105
  147   1HD2  ASN  20          1HD2      ASN  20 -10.921   0.593  -6.717
  148   2HD2  ASN  20          2HD2      ASN  20 -11.028   1.745  -7.999
  149    H    PHE  21           H        PHE  21  -8.512  -0.515  -2.997
  150    HA   PHE  21           HA       PHE  21  -9.645  -2.585  -4.749
  151   1HB   PHE  21          2HB       PHE  21  -7.510  -3.925  -4.043
  152   2HB   PHE  21          1HB       PHE  21  -7.422  -2.759  -5.355
  153    HD1  PHE  21           1HD      PHE  21  -6.552  -3.377  -1.839
  154    HD2  PHE  21           2HD      PHE  21  -6.127  -0.779  -5.180
  155    HE1  PHE  21           1HE      PHE  21  -4.731  -2.194  -0.680
  156    HE2  PHE  21           2HE      PHE  21  -4.302   0.406  -4.033
  157    HZ   PHE  21           HZ       PHE  21  -3.603  -0.301  -1.778
  158    H    GLU  22           H        GLU  22  -9.799  -4.731  -3.682
  159    HA   GLU  22           HA       GLU  22 -11.275  -4.526  -1.306
  160   1HB   GLU  22          2HB       GLU  22 -10.842  -6.448  -3.275
  161   2HB   GLU  22          1HB       GLU  22 -10.255  -7.203  -1.801
  162   1HG   GLU  22          2HG       GLU  22 -12.615  -6.143  -0.965
  163   2HG   GLU  22          1HG       GLU  22 -12.982  -6.560  -2.638
  164    H    LYS  23           H        LYS  23 -10.372  -6.860   0.116
  165    HA   LYS  23           HA       LYS  23  -8.837  -5.740   2.101
  166   1HB   LYS  23          2HB       LYS  23  -9.399  -7.642   3.099
  167   2HB   LYS  23          1HB       LYS  23 -10.036  -8.219   1.574
  168   1HG   LYS  23          2HG       LYS  23  -8.595  -9.903   2.282
  169   2HG   LYS  23          1HG       LYS  23  -7.676  -9.023   1.064
  170   1HD   LYS  23          2HD       LYS  23  -6.437  -9.659   3.174
  171   2HD   LYS  23          1HD       LYS  23  -6.323  -7.972   2.704
  172   1HE   LYS  23          2HE       LYS  23  -8.542  -8.676   4.524
  173   2HE   LYS  23          1HE       LYS  23  -6.920  -8.814   5.196
  174   1HZ   LYS  23          1HZ       LYS  23  -6.632  -6.464   4.189
  175   2HZ   LYS  23          2HZ       LYS  23  -7.456  -6.642   5.654
  176   3HZ   LYS  23          3HZ       LYS  23  -8.324  -6.422   4.219
  177    H    GLY  24           H        GLY  24  -6.764  -5.413   2.504
  178   1HA   GLY  24          2HA       GLY  24  -4.727  -6.782   0.921
  179   2HA   GLY  24          1HA       GLY  24  -4.786  -5.029   0.810
  180    H    GLU  25           H        GLU  25  -5.029  -7.380   3.483
  181    HA   GLU  25           HA       GLU  25  -3.784  -5.781   5.384
  182   1HB   GLU  25          2HB       GLU  25  -5.084  -8.154   5.466
  183   2HB   GLU  25          1HB       GLU  25  -3.422  -8.693   5.661
  184   1HG   GLU  25          2HG       GLU  25  -3.250  -7.848   7.733
  185   2HG   GLU  25          1HG       GLU  25  -4.210  -6.421   7.347
  186    H    THR  26           H        THR  26  -2.552  -7.605   2.811
  187    HA   THR  26           HA       THR  26   0.165  -7.085   3.760
  188    HB   THR  26           HB       THR  26   0.922  -9.053   2.499
  189    HG1  THR  26           1HG      THR  26  -0.720 -10.579   1.901
  190   1HG2  THR  26          1HG2      THR  26   0.132  -9.104   4.988
  191   2HG2  THR  26          2HG2      THR  26   0.529 -10.597   4.136
  192   3HG2  THR  26          3HG2      THR  26  -1.156 -10.118   4.337
  193    H    MET  27           H        MET  27   1.117  -5.650   2.586
  194    HA   MET  27           HA       MET  27   0.782  -5.654  -0.316
  195   1HB   MET  27          2HB       MET  27   0.503  -3.215   1.449
  196   2HB   MET  27          1HB       MET  27   0.629  -3.171  -0.304
  197   1HG   MET  27          2HG       MET  27  -1.425  -4.750  -0.238
  198   2HG   MET  27          1HG       MET  27  -1.615  -4.140   1.404
  199   1HE   MET  27          1HE       MET  27  -2.213  -1.982  -2.545
  200   2HE   MET  27          2HE       MET  27  -3.127  -3.422  -2.099
  201   3HE   MET  27          3HE       MET  27  -1.372  -3.502  -2.246
  202    H    GLU  28           H        GLU  28   2.493  -4.334  -1.396
  203    HA   GLU  28           HA       GLU  28   4.945  -4.180   0.234
  204   1HB   GLU  28          2HB       GLU  28   4.900  -5.019  -2.654
  205   2HB   GLU  28          1HB       GLU  28   6.242  -5.115  -1.528
  206   1HG   GLU  28          2HG       GLU  28   5.671  -7.226  -1.176
  207   2HG   GLU  28          1HG       GLU  28   4.238  -6.622  -0.344
  208    H    VAL  29           H        VAL  29   5.501  -2.113   0.380
  209    HA   VAL  29           HA       VAL  29   4.748  -0.243  -1.696
  210    HB   VAL  29           HB       VAL  29   5.906   0.039   1.046
  211   1HG1  VAL  29          1HG1      VAL  29   5.839   2.566   0.536
  212   2HG1  VAL  29          2HG1      VAL  29   6.013   2.065  -1.145
  213   3HG1  VAL  29          3HG1      VAL  29   7.249   1.632   0.035
  214   1HG2  VAL  29          1HG2      VAL  29   3.353   0.153  -0.075
  215   2HG2  VAL  29          2HG2      VAL  29   3.772   1.813   0.345
  216   3HG2  VAL  29          3HG2      VAL  29   3.825   0.552   1.577
  217    H    ILE  30           H        ILE  30   5.936  -0.013  -3.407
  218    HA   ILE  30           HA       ILE  30   8.713  -0.761  -3.508
  219    HB   ILE  30           HB       ILE  30   8.470   0.289  -5.885
  220   1HG1  ILE  30          2HG1      ILE  30   6.103   1.172  -4.930
  221   2HG1  ILE  30          1HG1      ILE  30   6.409   0.900  -6.631
  222   1HG2  ILE  30          1HG2      ILE  30   7.482  -1.806  -6.709
  223   2HG2  ILE  30          2HG2      ILE  30   7.013  -2.212  -5.058
  224   3HG2  ILE  30          3HG2      ILE  30   8.719  -2.074  -5.481
  225   1HD1  ILE  30          1HD1      ILE  30   4.252  -0.009  -5.735
  226   2HD1  ILE  30          2HD1      ILE  30   5.212  -1.186  -4.842
  227   3HD1  ILE  30          3HD1      ILE  30   5.266  -1.160  -6.605
  228    H    GLU  31           H        GLU  31   6.881   2.259  -3.569
  229    HA   GLU  31           HA       GLU  31   9.372   3.785  -3.740
  230   1HB   GLU  31          2HB       GLU  31   7.631   4.478  -5.268
  231   2HB   GLU  31          1HB       GLU  31   6.480   4.636  -3.947
  232   1HG   GLU  31          2HG       GLU  31   7.405   6.786  -4.806
  233   2HG   GLU  31          1HG       GLU  31   7.608   6.528  -3.074
  234    H    LYS  32           H        LYS  32  10.333   4.419  -1.936
  235    HA   LYS  32           HA       LYS  32   8.843   4.505   0.554
  236   1HB   LYS  32          2HB       LYS  32  11.791   4.991   0.154
  237   2HB   LYS  32          1HB       LYS  32  10.964   4.542   1.633
  238   1HG   LYS  32          2HG       LYS  32  11.199   2.791  -0.799
  239   2HG   LYS  32          1HG       LYS  32  12.221   2.682   0.637
  240   1HD   LYS  32          2HD       LYS  32  10.445   1.964   1.986
  241   2HD   LYS  32          1HD       LYS  32   9.231   2.502   0.824
  242   1HE   LYS  32          2HE       LYS  32   9.460   0.061   0.847
  243   2HE   LYS  32          1HE       LYS  32   9.894   0.750  -0.718
  244   1HZ   LYS  32          1HZ       LYS  32  11.686  -0.561  -0.464
  245   2HZ   LYS  32          2HZ       LYS  32  11.548  -0.636   1.221
  246   3HZ   LYS  32          3HZ       LYS  32  12.268   0.708   0.490
  247    HA   PRO  33           HA       PRO  33   8.615   8.940   0.429
  248   1HB   PRO  33          2HB       PRO  33   8.041   9.045   3.249
  249   2HB   PRO  33          1HB       PRO  33   6.918   9.191   1.897
  250   1HG   PRO  33          2HG       PRO  33   6.952   7.079   3.651
  251   2HG   PRO  33          1HG       PRO  33   6.319   6.995   1.999
  252   1HD   PRO  33          2HD       PRO  33   8.971   6.098   3.061
  253   2HD   PRO  33          1HD       PRO  33   7.909   5.319   1.870
  254    H    GLU  34           H        GLU  34  11.123   7.330   1.724
  255    HA   GLU  34           HA       GLU  34  12.269   9.094   3.571
  256   1HB   GLU  34          2HB       GLU  34  12.996   6.692   2.244
  257   2HB   GLU  34          1HB       GLU  34  14.310   7.834   2.011
  258   1HG   GLU  34          2HG       GLU  34  13.422   7.914   4.733
  259   2HG   GLU  34          1HG       GLU  34  13.772   6.254   4.258
  260    H    ASN  35           H        ASN  35  12.809   8.786   0.064
  261    HA   ASN  35           HA       ASN  35  14.178  11.378   0.081
  262   1HB   ASN  35          2HB       ASN  35  13.965   9.864  -2.455
  263   2HB   ASN  35          1HB       ASN  35  15.343  10.709  -1.760
  264   1HD2  ASN  35          1HD2      ASN  35  16.475   9.643   0.004
  265   2HD2  ASN  35          2HD2      ASN  35  16.545   7.917   0.036
  266    H    ASP  36           H        ASP  36  11.376   9.717  -1.203
  267    HA   ASP  36           HA       ASP  36  10.551  11.838  -2.932
  268   1HB   ASP  36          2HB       ASP  36   9.484   9.218  -2.075
  269   2HB   ASP  36          1HB       ASP  36   8.273  10.417  -2.523
  270    HA   PRO  37           HA       PRO  37   8.260  14.750  -0.577
  271   1HB   PRO  37          2HB       PRO  37   5.747  13.522  -1.650
  272   2HB   PRO  37          1HB       PRO  37   6.199  15.224  -1.527
  273   1HG   PRO  37          2HG       PRO  37   6.380  13.942  -3.852
  274   2HG   PRO  37          1HG       PRO  37   7.608  15.126  -3.362
  275   1HD   PRO  37          2HD       PRO  37   7.776  12.162  -3.476
  276   2HD   PRO  37          1HD       PRO  37   9.057  13.375  -3.658
  277    H    GLU  38           H        GLU  38   5.807  12.165  -0.545
  278    HA   GLU  38           HA       GLU  38   6.452  11.159   2.008
  279   1HB   GLU  38          2HB       GLU  38   5.719  13.548   2.515
  280   2HB   GLU  38          1HB       GLU  38   4.103  13.022   2.069
  281   1HG   GLU  38          2HG       GLU  38   5.400  11.262   3.995
  282   2HG   GLU  38          1HG       GLU  38   5.192  12.914   4.578
  283    H    TRP  39           H        TRP  39   5.151  10.565  -0.754
  284    HA   TRP  39           HA       TRP  39   2.963   8.920   0.336
  285   1HB   TRP  39          2HB       TRP  39   3.017   9.866  -2.519
  286   2HB   TRP  39          1HB       TRP  39   1.653   9.254  -1.591
  287    HD1  TRP  39           HD       TRP  39   2.120  11.254   0.950
  288    HE1  TRP  39           1HE      TRP  39   1.423  13.717   0.682
  289    HE3  TRP  39           3HE      TRP  39   2.105  11.543  -4.155
  290    HZ2  TRP  39           2HZ      TRP  39   0.931  15.541  -1.416
  291    HZ3  TRP  39           3HZ      TRP  39   1.509  13.683  -5.213
  292    HH2  TRP  39           HH       TRP  39   0.935  15.640  -3.871
  293    H    TRP  40           H        TRP  40   2.779   6.803  -0.428
  294    HA   TRP  40           HA       TRP  40   4.959   5.904  -2.179
  295   1HB   TRP  40          2HB       TRP  40   5.062   3.794  -0.860
  296   2HB   TRP  40          1HB       TRP  40   5.593   5.216   0.022
  297    HD1  TRP  40           HD       TRP  40   1.867   4.417  -0.286
  298    HE1  TRP  40           1HE      TRP  40   0.953   3.787   2.042
  299    HE3  TRP  40           3HE      TRP  40   6.266   4.273   2.267
  300    HZ2  TRP  40           2HZ      TRP  40   2.003   3.276   4.620
  301    HZ3  TRP  40           3HZ      TRP  40   6.241   3.706   4.657
  302    HH2  TRP  40           HH       TRP  40   4.146   3.221   5.812
  303    H    LYS  41           H        LYS  41   4.508   3.601  -3.003
  304    HA   LYS  41           HA       LYS  41   1.689   3.107  -3.484
  305   1HB   LYS  41          2HB       LYS  41   2.178   2.819  -5.946
  306   2HB   LYS  41          1HB       LYS  41   2.087   4.463  -5.348
  307   1HG   LYS  41          2HG       LYS  41   3.935   4.558  -6.671
  308   2HG   LYS  41          1HG       LYS  41   4.664   4.213  -5.109
  309   1HD   LYS  41          2HD       LYS  41   5.712   2.607  -6.314
  310   2HD   LYS  41          1HD       LYS  41   4.233   1.734  -5.945
  311   1HE   LYS  41          2HE       LYS  41   5.280   2.605  -8.501
  312   2HE   LYS  41          1HE       LYS  41   4.075   1.371  -8.128
  313   1HZ   LYS  41          1HZ       LYS  41   2.944   2.957  -9.378
  314   2HZ   LYS  41          2HZ       LYS  41   3.666   4.265  -8.587
  315   3HZ   LYS  41          3HZ       LYS  41   2.504   3.330  -7.788
  316    H    CYS  42           H        CYS  42   1.163   1.001  -3.732
  317    HA   CYS  42           HA       CYS  42   3.376  -0.904  -4.024
  318   1HB   CYS  42          2HB       CYS  42   2.177  -2.378  -2.358
  319   2HB   CYS  42          1HB       CYS  42   2.924  -0.936  -1.680
  320    HG   CYS  42           HG       CYS  42  -0.144  -1.131  -2.166
  321    H    LYS  43           H        LYS  43   2.797  -2.925  -4.939
  322    HA   LYS  43           HA       LYS  43   0.473  -2.766  -6.682
  323   1HB   LYS  43          2HB       LYS  43   2.736  -4.765  -6.597
  324   2HB   LYS  43          1HB       LYS  43   1.466  -4.723  -7.811
  325   1HG   LYS  43          2HG       LYS  43   2.359  -2.936  -8.888
  326   2HG   LYS  43          1HG       LYS  43   3.051  -2.253  -7.416
  327   1HD   LYS  43          2HD       LYS  43   5.003  -3.323  -7.703
  328   2HD   LYS  43          1HD       LYS  43   4.210  -4.830  -8.170
  329   1HE   LYS  43          2HE       LYS  43   5.567  -3.949  -9.994
  330   2HE   LYS  43          1HE       LYS  43   3.856  -3.954 -10.421
  331   1HZ   LYS  43          1HZ       LYS  43   3.757  -1.706 -10.440
  332   2HZ   LYS  43          2HZ       LYS  43   5.397  -1.865 -10.820
  333   3HZ   LYS  43          3HZ       LYS  43   4.928  -1.512  -9.234
  334    H    ASN  44           H        ASN  44  -1.208  -4.127  -6.676
  335    HA   ASN  44           HA       ASN  44  -1.424  -6.000  -4.421
  336   1HB   ASN  44          2HB       ASN  44  -2.933  -3.830  -4.685
  337   2HB   ASN  44          1HB       ASN  44  -3.827  -4.857  -5.793
  338   1HD2  ASN  44          1HD2      ASN  44  -2.209  -5.423  -2.685
  339   2HD2  ASN  44          2HD2      ASN  44  -3.586  -6.110  -1.901
  340    H    ALA  45           H        ALA  45  -3.264  -7.633  -4.906
  341    HA   ALA  45           HA       ALA  45  -2.431  -9.097  -7.205
  342   1HB   ALA  45          1HB       ALA  45  -3.024 -10.437  -5.383
  343   2HB   ALA  45          2HB       ALA  45  -4.384 -10.610  -6.492
  344   3HB   ALA  45          3HB       ALA  45  -4.516  -9.542  -5.095
  345    H    ARG  46           H        ARG  46  -4.348  -6.473  -6.912
  346    HA   ARG  46           HA       ARG  46  -6.426  -7.183  -8.773
  347   1HB   ARG  46          2HB       ARG  46  -7.283  -5.676  -7.299
  348   2HB   ARG  46          1HB       ARG  46  -5.736  -4.886  -7.042
  349   1HG   ARG  46          2HG       ARG  46  -6.056  -3.412  -8.684
  350   2HG   ARG  46          1HG       ARG  46  -7.008  -4.511  -9.679
  351   1HD   ARG  46          2HD       ARG  46  -8.050  -3.378  -7.102
  352   2HD   ARG  46          1HD       ARG  46  -8.219  -2.519  -8.631
  353    HE   ARG  46           HE       ARG  46  -9.161  -5.197  -8.827
  354   1HH1  ARG  46          1HH1      ARG  46 -10.016  -2.027  -7.646
  355   2HH1  ARG  46          2HH1      ARG  46 -11.720  -2.302  -7.768
  356   1HH2  ARG  46          1HH2      ARG  46 -11.406  -5.565  -8.989
  357   2HH2  ARG  46          2HH2      ARG  46 -12.511  -4.312  -8.531
  358    H    GLY  47           H        GLY  47  -3.196  -6.371  -9.041
  359   1HA   GLY  47          2HA       GLY  47  -1.978  -6.175 -11.007
  360   2HA   GLY  47          1HA       GLY  47  -3.478  -5.952 -11.887
  361    H    GLN  48           H        GLN  48  -3.952  -3.770  -9.641
  362    HA   GLN  48           HA       GLN  48  -2.417  -1.690 -11.042
  363   1HB   GLN  48          2HB       GLN  48  -5.269  -1.809 -10.205
  364   2HB   GLN  48          1HB       GLN  48  -4.455  -0.263 -10.073
  365   1HG   GLN  48          2HG       GLN  48  -5.690  -0.609 -12.202
  366   2HG   GLN  48          1HG       GLN  48  -3.983  -0.209 -12.396
  367   1HE2  GLN  48          1HE2      GLN  48  -2.679  -1.594 -13.453
  368   2HE2  GLN  48          2HE2      GLN  48  -3.184  -3.113 -14.103
  369    H    VAL  49           H        VAL  49  -1.332  -0.215  -9.863
  370    HA   VAL  49           HA       VAL  49  -1.634  -0.363  -6.942
  371    HB   VAL  49           HB       VAL  49   0.457  -1.238  -7.009
  372   1HG1  VAL  49          1HG1      VAL  49   0.920   0.239  -9.569
  373   2HG1  VAL  49          2HG1      VAL  49   0.711  -1.498  -9.336
  374   3HG1  VAL  49          3HG1      VAL  49   2.162  -0.695  -8.736
  375   1HG2  VAL  49          1HG2      VAL  49   1.300   1.612  -7.433
  376   2HG2  VAL  49          2HG2      VAL  49   2.082   0.379  -6.443
  377   3HG2  VAL  49          3HG2      VAL  49   0.528   1.051  -5.950
  378    H    GLY  50           H        GLY  50  -2.117   1.464  -6.010
  379   1HA   GLY  50          2HA       GLY  50  -1.767   3.947  -7.558
  380   2HA   GLY  50          1HA       GLY  50  -3.026   3.679  -6.364
  381    H    LEU  51           H        LEU  51  -2.568   5.305  -5.010
  382    HA   LEU  51           HA       LEU  51   0.059   5.199  -3.685
  383   1HB   LEU  51          2HB       LEU  51  -1.499   7.439  -4.740
  384   2HB   LEU  51          1HB       LEU  51  -0.979   7.680  -3.086
  385    HG   LEU  51           HG       LEU  51   1.283   7.710  -3.655
  386   1HD1  LEU  51          1HD1      LEU  51   2.210   6.292  -5.072
  387   2HD1  LEU  51          2HD1      LEU  51   1.374   7.044  -6.428
  388   3HD1  LEU  51          3HD1      LEU  51   0.609   5.731  -5.545
  389   1HD2  LEU  51          1HD2      LEU  51   1.452   9.463  -5.136
  390   2HD2  LEU  51          2HD2      LEU  51  -0.247   9.547  -4.667
  391   3HD2  LEU  51          3HD2      LEU  51   0.207   8.817  -6.207
  392    H    VAL  52           H        VAL  52  -0.178   4.201  -1.824
  393    HA   VAL  52           HA       VAL  52  -2.705   4.329  -0.397
  394    HB   VAL  52           HB       VAL  52  -1.908   2.127  -0.479
  395   1HG1  VAL  52          1HG1      VAL  52   0.222   1.584  -0.746
  396   2HG1  VAL  52          2HG1      VAL  52   0.658   2.291   0.806
  397   3HG1  VAL  52          3HG1      VAL  52   0.624   3.289  -0.641
  398   1HG2  VAL  52          1HG2      VAL  52  -2.316   3.317   1.941
  399   2HG2  VAL  52          2HG2      VAL  52  -0.747   2.553   2.178
  400   3HG2  VAL  52          3HG2      VAL  52  -2.134   1.583   1.688
  401    HA   PRO  53           HA       PRO  53  -1.234   7.420   2.468
  402   1HB   PRO  53          2HB       PRO  53  -3.301   7.371   4.144
  403   2HB   PRO  53          1HB       PRO  53  -3.528   7.934   2.477
  404   1HG   PRO  53          2HG       PRO  53  -3.931   5.157   3.563
  405   2HG   PRO  53          1HG       PRO  53  -5.140   6.179   2.742
  406   1HD   PRO  53          2HD       PRO  53  -3.784   4.366   1.372
  407   2HD   PRO  53          1HD       PRO  53  -4.021   5.987   0.679
  408    H    LYS  54           H        LYS  54   0.502   6.646   3.584
  409    HA   LYS  54           HA       LYS  54   0.802   4.361   5.053
  410   1HB   LYS  54          2HB       LYS  54   2.591   5.522   6.221
  411   2HB   LYS  54          1HB       LYS  54   2.590   5.903   4.497
  412   1HG   LYS  54          2HG       LYS  54   2.520   8.035   5.015
  413   2HG   LYS  54          1HG       LYS  54   0.904   7.785   5.685
  414   1HD   LYS  54          2HD       LYS  54   1.971   7.160   7.844
  415   2HD   LYS  54          1HD       LYS  54   3.537   7.610   7.162
  416   1HE   LYS  54          2HE       LYS  54   3.173   9.747   7.651
  417   2HE   LYS  54          1HE       LYS  54   1.674   9.734   6.725
  418   1HZ   LYS  54          1HZ       LYS  54   1.727  10.216   9.307
  419   2HZ   LYS  54          2HZ       LYS  54   1.610   8.530   9.383
  420   3HZ   LYS  54          3HZ       LYS  54   0.425   9.423   8.572
  421    H    ASN  55           H        ASN  55  -0.918   7.217   5.896
  422    HA   ASN  55           HA       ASN  55  -0.956   6.920   8.712
  423   1HB   ASN  55          2HB       ASN  55  -1.501   9.024   7.480
  424   2HB   ASN  55          1HB       ASN  55  -3.005   8.271   6.956
  425   1HD2  ASN  55          1HD2      ASN  55  -1.521  10.123   9.311
  426   2HD2  ASN  55          2HD2      ASN  55  -2.760  10.057  10.514
  427    H    TYR  56           H        TYR  56  -2.391   5.158   6.257
  428    HA   TYR  56           HA       TYR  56  -4.449   4.102   8.072
  429   1HB   TYR  56          2HB       TYR  56  -4.372   4.349   5.070
  430   2HB   TYR  56          1HB       TYR  56  -5.523   3.315   5.900
  431    HD1  TYR  56           1HD      TYR  56  -6.377   5.492   4.095
  432    HD2  TYR  56           2HD      TYR  56  -5.537   5.550   8.263
  433    HE1  TYR  56           1HE      TYR  56  -7.941   7.359   4.386
  434    HE2  TYR  56           2HE      TYR  56  -7.095   7.413   8.567
  435    HH   TYR  56           HH       TYR  56  -9.382   8.223   6.719
  436    H    VAL  57           H        VAL  57  -1.468   3.431   7.370
  437    HA   VAL  57           HA       VAL  57  -1.919   0.556   7.437
  438    HB   VAL  57           HB       VAL  57  -0.937  -0.031   5.481
  439   1HG1  VAL  57          1HG1      VAL  57  -1.547   2.816   4.708
  440   2HG1  VAL  57          2HG1      VAL  57  -2.771   1.562   4.909
  441   3HG1  VAL  57          3HG1      VAL  57  -1.537   1.396   3.664
  442   1HG2  VAL  57          1HG2      VAL  57   1.265   0.634   5.768
  443   2HG2  VAL  57          2HG2      VAL  57   0.838   2.340   5.898
  444   3HG2  VAL  57          3HG2      VAL  57   0.776   1.534   4.331
  445    H    VAL  58           H        VAL  58   0.274  -0.594   7.478
  446    HA   VAL  58           HA       VAL  58   2.319   0.880   8.957
  447    HB   VAL  58           HB       VAL  58   0.889  -0.173  10.676
  448   1HG1  VAL  58          1HG1      VAL  58   1.733  -2.897   9.855
  449   2HG1  VAL  58          2HG1      VAL  58   0.408  -2.145   8.965
  450   3HG1  VAL  58          3HG1      VAL  58   0.285  -2.368  10.710
  451   1HG2  VAL  58          1HG2      VAL  58   2.629  -0.954  11.974
  452   2HG2  VAL  58          2HG2      VAL  58   3.491  -0.033  10.741
  453   3HG2  VAL  58          3HG2      VAL  58   3.400  -1.791  10.626
  454    H    VAL  59           H        VAL  59   4.170   0.526   7.875
  455    HA   VAL  59           HA       VAL  59   4.386  -1.440   5.874
  456    HB   VAL  59           HB       VAL  59   6.834  -0.208   7.088
  457   1HG1  VAL  59          1HG1      VAL  59   5.964  -1.058   4.335
  458   2HG1  VAL  59          2HG1      VAL  59   7.283  -1.703   5.311
  459   3HG1  VAL  59          3HG1      VAL  59   7.408  -0.087   4.620
  460   1HG2  VAL  59          1HG2      VAL  59   5.646   1.757   6.963
  461   2HG2  VAL  59          2HG2      VAL  59   4.618   1.179   5.653
  462   3HG2  VAL  59          3HG2      VAL  59   6.280   1.664   5.321
  463    H    LEU  60           H        LEU  60   5.552  -3.329   5.748
  464    HA   LEU  60           HA       LEU  60   6.622  -4.452   8.213
  465   1HB   LEU  60          2HB       LEU  60   4.674  -5.560   8.444
  466   2HB   LEU  60          1HB       LEU  60   4.212  -5.285   6.779
  467    HG   LEU  60           HG       LEU  60   6.333  -7.227   6.887
  468   1HD1  LEU  60          1HD1      LEU  60   4.881  -9.011   7.970
  469   2HD1  LEU  60          2HD1      LEU  60   3.986  -7.678   8.697
  470   3HD1  LEU  60          3HD1      LEU  60   5.702  -7.881   9.047
  471   1HD2  LEU  60          1HD2      LEU  60   3.467  -7.693   6.141
  472   2HD2  LEU  60          2HD2      LEU  60   4.916  -8.449   5.480
  473   3HD2  LEU  60          3HD2      LEU  60   4.557  -6.761   5.116
  474    H    SER  61           H        SER  61   8.699  -4.547   7.547
  475    HA   SER  61           HA       SER  61   9.270  -6.073   5.097
  476   1HB   SER  61          2HB       SER  61  11.452  -4.783   5.061
  477   2HB   SER  61          1HB       SER  61  10.007  -3.826   4.734
  478    HG   SER  61           HG       SER  61  11.626  -3.880   7.030
  Start of MODEL    5
    1   1H    GLY   1          1HT       GLY   1  13.896 -11.271   1.852
    2   2H    GLY   1          2HT       GLY   1  13.986  -9.966   2.925
    3   3H    GLY   1          3HT       GLY   1  15.247 -11.091   2.854
    4   1HA   GLY   1          1HA       GLY   1  16.041  -9.241   1.685
    5   2HA   GLY   1          2HA       GLY   1  15.580 -10.425   0.471
    6    H    SER   2           H        SER   2  12.679  -9.849   1.107
    7    HA   SER   2           HA       SER   2  12.486  -7.459  -0.585
    8   1HB   SER   2          2HB       SER   2  11.092  -9.981  -0.535
    9   2HB   SER   2          1HB       SER   2   9.934  -8.659  -0.332
   10    HG   SER   2           HG       SER   2  10.188  -8.922  -2.502
   11    H    HIS   3           H        HIS   3  11.626  -5.620   0.156
   12    HA   HIS   3           HA       HIS   3  10.772  -5.497   2.917
   13   1HB   HIS   3          2HB       HIS   3  10.267  -3.006   2.078
   14   2HB   HIS   3          1HB       HIS   3  11.880  -3.540   2.527
   15    HD1  HIS   3           1HD      HIS   3   9.868  -3.692  -0.711
   16    HD2  HIS   3           2HD      HIS   3  13.630  -2.618   0.692
   17    HE1  HIS   3           1HE      HIS   3  11.149  -2.931  -2.738
   18    HE2  HIS   3           2HE      HIS   3  13.390  -2.196  -1.850
   19    H    VAL   4           H        VAL   4   8.726  -5.532   3.620
   20    HA   VAL   4           HA       VAL   4   6.610  -5.182   1.604
   21    HB   VAL   4           HB       VAL   4   5.825  -7.020   3.701
   22   1HG1  VAL   4          1HG1      VAL   4   6.055  -7.855   0.867
   23   2HG1  VAL   4          2HG1      VAL   4   5.016  -6.470   1.207
   24   3HG1  VAL   4          3HG1      VAL   4   4.704  -8.020   1.990
   25   1HG2  VAL   4          1HG2      VAL   4   7.193  -8.916   2.997
   26   2HG2  VAL   4          2HG2      VAL   4   8.182  -7.635   3.700
   27   3HG2  VAL   4          3HG2      VAL   4   8.131  -7.851   1.950
   28    H    VAL   5           H        VAL   5   4.439  -4.872   2.642
   29    HA   VAL   5           HA       VAL   5   4.652  -3.408   5.158
   30    HB   VAL   5           HB       VAL   5   4.527  -1.499   4.036
   31   1HG1  VAL   5          1HG1      VAL   5   4.789  -1.461   1.869
   32   2HG1  VAL   5          2HG1      VAL   5   3.121  -1.967   1.606
   33   3HG1  VAL   5          3HG1      VAL   5   4.387  -3.170   1.812
   34   1HG2  VAL   5          1HG2      VAL   5   2.183  -0.860   3.209
   35   2HG2  VAL   5          2HG2      VAL   5   2.414  -1.213   4.921
   36   3HG2  VAL   5          3HG2      VAL   5   1.693  -2.421   3.857
   37    H    GLN   6           H        GLN   6   2.591  -3.022   6.214
   38    HA   GLN   6           HA       GLN   6   0.642  -5.142   5.579
   39   1HB   GLN   6          2HB       GLN   6   2.284  -5.189   7.737
   40   2HB   GLN   6          1HB       GLN   6   0.912  -4.314   8.402
   41   1HG   GLN   6          2HG       GLN   6  -0.533  -6.099   8.136
   42   2HG   GLN   6          1HG       GLN   6   0.489  -6.873   6.926
   43   1HE2  GLN   6          1HE2      GLN   6   0.319  -8.810   8.146
   44   2HE2  GLN   6          2HE2      GLN   6   1.276  -9.049   9.564
   45    H    THR   7           H        THR   7  -1.516  -4.638   5.734
   46    HA   THR   7           HA       THR   7  -2.100  -1.807   6.313
   47    HB   THR   7           HB       THR   7  -4.301  -2.647   4.989
   48    HG1  THR   7           1HG      THR   7  -3.828  -4.135   3.529
   49   1HG2  THR   7          1HG2      THR   7  -2.405  -0.798   4.509
   50   2HG2  THR   7          2HG2      THR   7  -3.713  -1.188   3.391
   51   3HG2  THR   7          3HG2      THR   7  -2.117  -1.906   3.167
   52    H    LEU   8           H        LEU   8  -4.062  -1.280   7.324
   53    HA   LEU   8           HA       LEU   8  -5.343  -3.455   8.804
   54   1HB   LEU   8          2HB       LEU   8  -5.482  -1.337  10.531
   55   2HB   LEU   8          1HB       LEU   8  -4.420  -2.712  10.683
   56    HG   LEU   8           HG       LEU   8  -3.214  -0.642  11.043
   57   1HD1  LEU   8          1HD1      LEU   8  -2.128  -1.351   8.412
   58   2HD1  LEU   8          2HD1      LEU   8  -2.368  -2.699   9.523
   59   3HD1  LEU   8          3HD1      LEU   8  -1.358  -1.333   9.997
   60   1HD2  LEU   8          1HD2      LEU   8  -4.815   0.598   9.413
   61   2HD2  LEU   8          2HD2      LEU   8  -3.605   0.164   8.211
   62   3HD2  LEU   8          3HD2      LEU   8  -3.148   1.140   9.604
   63    H    TYR   9           H        TYR   9  -5.540  -0.131   7.623
   64    HA   TYR   9           HA       TYR   9  -8.450  -0.183   7.943
   65   1HB   TYR   9          2HB       TYR   9  -6.483   1.844   8.254
   66   2HB   TYR   9          1HB       TYR   9  -7.525   2.320   6.918
   67    HD1  TYR   9           1HD      TYR   9  -8.954   3.962   7.706
   68    HD2  TYR   9           2HD      TYR   9  -8.280   0.507  10.094
   69    HE1  TYR   9           1HE      TYR   9 -10.654   4.742   9.302
   70    HE2  TYR   9           2HE      TYR   9  -9.980   1.275  11.696
   71    HH   TYR   9           HH       TYR   9 -11.076   3.299  12.386
   72    HA   PRO  10           HA       PRO  10  -9.575  -0.651   3.726
   73   1HB   PRO  10          2HB       PRO  10 -10.901   2.012   3.828
   74   2HB   PRO  10          1HB       PRO  10 -11.562   0.441   3.363
   75   1HG   PRO  10          2HG       PRO  10 -12.169   1.515   5.717
   76   2HG   PRO  10          1HG       PRO  10 -11.874  -0.228   5.564
   77   1HD   PRO  10          2HD       PRO  10 -10.095   1.909   6.662
   78   2HD   PRO  10          1HD       PRO  10 -10.329   0.238   7.217
   79    H    PHE  11           H        PHE  11  -9.795   0.744   1.593
   80    HA   PHE  11           HA       PHE  11  -7.349   2.377   1.354
   81   1HB   PHE  11          2HB       PHE  11  -7.148   1.532  -0.942
   82   2HB   PHE  11          1HB       PHE  11  -7.153   0.205   0.219
   83    HD1  PHE  11           1HD      PHE  11  -9.347  -1.027   0.602
   84    HD2  PHE  11           2HD      PHE  11  -8.681   1.579  -2.696
   85    HE1  PHE  11           1HE      PHE  11 -11.221  -2.075  -0.599
   86    HE2  PHE  11           2HE      PHE  11 -10.555   0.536  -3.903
   87    HZ   PHE  11           HZ       PHE  11 -11.826  -1.294  -2.854
   88    H    SER  12           H        SER  12  -7.545   4.377   0.484
   89    HA   SER  12           HA       SER  12 -10.058   5.033  -0.903
   90   1HB   SER  12          2HB       SER  12 -10.183   5.921   1.374
   91   2HB   SER  12          1HB       SER  12  -8.645   6.752   1.149
   92    HG   SER  12           HG       SER  12  -9.590   8.204  -0.114
   93    H    SER  13           H        SER  13  -9.646   5.664  -2.920
   94    HA   SER  13           HA       SER  13  -7.017   6.737  -3.590
   95   1HB   SER  13          2HB       SER  13  -8.684   5.005  -4.924
   96   2HB   SER  13          1HB       SER  13  -8.987   6.527  -5.757
   97    HG   SER  13           HG       SER  13  -7.270   5.722  -6.794
   98    H    VAL  14           H        VAL  14  -6.650   8.815  -4.346
   99    HA   VAL  14           HA       VAL  14  -8.947  10.568  -4.730
  100    HB   VAL  14           HB       VAL  14  -8.004  12.291  -3.258
  101   1HG1  VAL  14          1HG1      VAL  14  -8.875  11.411  -1.270
  102   2HG1  VAL  14          2HG1      VAL  14  -8.366   9.771  -1.673
  103   3HG1  VAL  14          3HG1      VAL  14  -9.702  10.521  -2.549
  104   1HG2  VAL  14          1HG2      VAL  14  -6.072  12.101  -2.102
  105   2HG2  VAL  14          2HG2      VAL  14  -5.669  10.964  -3.387
  106   3HG2  VAL  14          3HG2      VAL  14  -6.275  10.368  -1.843
  107    H    THR  15           H        THR  15  -5.476  10.038  -5.110
  108    HA   THR  15           HA       THR  15  -5.134  12.466  -6.643
  109    HB   THR  15           HB       THR  15  -3.183  10.187  -6.293
  110    HG1  THR  15           1HG      THR  15  -2.976  10.855  -4.333
  111   1HG2  THR  15          1HG2      THR  15  -2.942  12.960  -7.337
  112   2HG2  THR  15          2HG2      THR  15  -2.182  11.470  -7.894
  113   3HG2  THR  15          3HG2      THR  15  -1.599  12.262  -6.432
  114    H    GLU  16           H        GLU  16  -4.152  12.421  -8.818
  115    HA   GLU  16           HA       GLU  16  -5.782  11.039 -10.644
  116   1HB   GLU  16          2HB       GLU  16  -3.963  13.143 -10.752
  117   2HB   GLU  16          1HB       GLU  16  -3.245  11.909 -11.778
  118   1HG   GLU  16          2HG       GLU  16  -5.618  11.771 -12.823
  119   2HG   GLU  16          1HG       GLU  16  -5.829  13.362 -12.094
  120    H    GLU  17           H        GLU  17  -2.538  10.395  -9.436
  121    HA   GLU  17           HA       GLU  17  -2.370   7.985 -11.092
  122   1HB   GLU  17          2HB       GLU  17  -0.028   7.902 -10.473
  123   2HB   GLU  17          1HB       GLU  17  -0.420   9.515 -11.049
  124   1HG   GLU  17          2HG       GLU  17  -0.686  10.174  -8.624
  125   2HG   GLU  17          1HG       GLU  17   0.043   8.620  -8.223
  126    H    GLU  18           H        GLU  18  -4.220   8.175  -8.898
  127    HA   GLU  18           HA       GLU  18  -3.071   6.381  -6.898
  128   1HB   GLU  18          2HB       GLU  18  -4.463   8.566  -6.450
  129   2HB   GLU  18          1HB       GLU  18  -5.829   7.492  -6.682
  130   1HG   GLU  18          2HG       GLU  18  -5.638   6.784  -4.604
  131   2HG   GLU  18          1HG       GLU  18  -4.009   6.219  -4.929
  132    H    LEU  19           H        LEU  19  -4.866   4.802  -6.005
  133    HA   LEU  19           HA       LEU  19  -6.438   3.686  -8.193
  134   1HB   LEU  19          2HB       LEU  19  -4.041   2.458  -7.022
  135   2HB   LEU  19          1HB       LEU  19  -5.431   1.397  -7.133
  136    HG   LEU  19           HG       LEU  19  -5.545   2.267  -9.584
  137   1HD1  LEU  19          1HD1      LEU  19  -3.796   3.330 -10.456
  138   2HD1  LEU  19          2HD1      LEU  19  -2.631   2.391  -9.524
  139   3HD1  LEU  19          3HD1      LEU  19  -3.447   3.766  -8.786
  140   1HD2  LEU  19          1HD2      LEU  19  -4.945  -0.056  -8.601
  141   2HD2  LEU  19          2HD2      LEU  19  -3.288   0.397  -8.990
  142   3HD2  LEU  19          3HD2      LEU  19  -4.497   0.305 -10.268
  143    H    ASN  20           H        ASN  20  -7.822   1.915  -7.507
  144    HA   ASN  20           HA       ASN  20  -8.505   1.976  -4.652
  145   1HB   ASN  20          2HB       ASN  20 -10.950   1.956  -5.351
  146   2HB   ASN  20          1HB       ASN  20 -10.106   3.487  -5.567
  147   1HD2  ASN  20          1HD2      ASN  20 -12.368   1.771  -6.928
  148   2HD2  ASN  20          2HD2      ASN  20 -12.062   2.046  -8.605
  149    H    PHE  21           H        PHE  21  -7.874  -0.037  -4.197
  150    HA   PHE  21           HA       PHE  21  -9.281  -2.216  -5.571
  151   1HB   PHE  21          2HB       PHE  21  -6.952  -3.471  -4.982
  152   2HB   PHE  21          1HB       PHE  21  -7.317  -2.767  -6.551
  153    HD1  PHE  21           1HD      PHE  21  -6.282  -1.198  -3.333
  154    HD2  PHE  21           2HD      PHE  21  -5.349  -1.941  -7.418
  155    HE1  PHE  21           1HE      PHE  21  -4.294   0.236  -3.134
  156    HE2  PHE  21           2HE      PHE  21  -3.357  -0.510  -7.225
  157    HZ   PHE  21           HZ       PHE  21  -2.828   0.581  -5.082
  158    H    GLU  22           H        GLU  22  -9.479  -4.184  -4.294
  159    HA   GLU  22           HA       GLU  22 -10.164  -3.636  -1.608
  160   1HB   GLU  22          2HB       GLU  22  -9.882  -6.170  -3.187
  161   2HB   GLU  22          1HB       GLU  22 -10.258  -6.210  -1.472
  162   1HG   GLU  22          2HG       GLU  22 -12.380  -6.157  -2.164
  163   2HG   GLU  22          1HG       GLU  22 -12.089  -4.428  -2.353
  164    H    LYS  23           H        LYS  23  -8.537  -2.928  -0.373
  165    HA   LYS  23           HA       LYS  23  -5.925  -4.078  -0.371
  166   1HB   LYS  23          2HB       LYS  23  -7.119  -1.739   0.636
  167   2HB   LYS  23          1HB       LYS  23  -6.491  -2.596   2.036
  168   1HG   LYS  23          2HG       LYS  23  -4.957  -1.712  -0.395
  169   2HG   LYS  23          1HG       LYS  23  -4.820  -1.084   1.247
  170   1HD   LYS  23          2HD       LYS  23  -3.203  -2.566   1.619
  171   2HD   LYS  23          1HD       LYS  23  -4.395  -3.855   1.449
  172   1HE   LYS  23          2HE       LYS  23  -3.721  -3.041  -1.160
  173   2HE   LYS  23          1HE       LYS  23  -2.206  -3.165  -0.269
  174   1HZ   LYS  23          1HZ       LYS  23  -2.523  -5.290  -1.072
  175   2HZ   LYS  23          2HZ       LYS  23  -4.195  -5.263  -0.830
  176   3HZ   LYS  23          3HZ       LYS  23  -3.153  -5.414   0.494
  177    H    GLY  24           H        GLY  24  -5.073  -5.626   0.882
  178   1HA   GLY  24          2HA       GLY  24  -6.897  -7.041   2.685
  179   2HA   GLY  24          1HA       GLY  24  -5.397  -7.678   2.024
  180    H    GLU  25           H        GLU  25  -4.590  -8.297   4.029
  181    HA   GLU  25           HA       GLU  25  -4.188  -6.237   6.032
  182   1HB   GLU  25          2HB       GLU  25  -4.835  -8.897   6.243
  183   2HB   GLU  25          1HB       GLU  25  -3.114  -8.895   6.610
  184   1HG   GLU  25          2HG       GLU  25  -3.377  -7.629   8.497
  185   2HG   GLU  25          1HG       GLU  25  -4.879  -6.906   7.926
  186    H    THR  26           H        THR  26  -2.534  -7.780   3.536
  187    HA   THR  26           HA       THR  26  -0.004  -6.613   4.465
  188    HB   THR  26           HB       THR  26   0.931  -8.678   3.035
  189    HG1  THR  26           1HG      THR  26  -1.387  -9.692   4.313
  190   1HG2  THR  26          1HG2      THR  26   0.230  -8.601   5.944
  191   2HG2  THR  26          2HG2      THR  26   1.801  -8.367   5.176
  192   3HG2  THR  26          3HG2      THR  26   1.069  -9.972   5.217
  193    H    MET  27           H        MET  27   1.068  -5.439   3.053
  194    HA   MET  27           HA       MET  27   0.546  -5.708   0.190
  195   1HB   MET  27          2HB       MET  27  -0.915  -3.897   1.063
  196   2HB   MET  27          1HB       MET  27   0.516  -3.050   1.634
  197   1HG   MET  27          2HG       MET  27  -0.321  -2.157  -0.483
  198   2HG   MET  27          1HG       MET  27   1.313  -2.800  -0.621
  199   1HE   MET  27          1HE       MET  27  -2.374  -3.589  -2.788
  200   2HE   MET  27          2HE       MET  27  -1.056  -2.760  -3.618
  201   3HE   MET  27          3HE       MET  27  -1.618  -2.176  -2.051
  202    H    GLU  28           H        GLU  28   2.226  -4.495  -1.099
  203    HA   GLU  28           HA       GLU  28   4.781  -4.366   0.389
  204   1HB   GLU  28          2HB       GLU  28   5.825  -5.102  -1.824
  205   2HB   GLU  28          1HB       GLU  28   4.946  -6.325  -0.918
  206   1HG   GLU  28          2HG       GLU  28   2.964  -5.823  -2.385
  207   2HG   GLU  28          1HG       GLU  28   4.053  -4.856  -3.378
  208    H    VAL  29           H        VAL  29   5.599  -2.392   0.378
  209    HA   VAL  29           HA       VAL  29   4.725  -0.470  -1.627
  210    HB   VAL  29           HB       VAL  29   6.052  -0.194   1.054
  211   1HG1  VAL  29          1HG1      VAL  29   7.181   1.378  -0.512
  212   2HG1  VAL  29          2HG1      VAL  29   6.254   2.189   0.748
  213   3HG1  VAL  29          3HG1      VAL  29   5.605   2.073  -0.887
  214   1HG2  VAL  29          1HG2      VAL  29   3.684   1.326   0.115
  215   2HG2  VAL  29          2HG2      VAL  29   4.101   0.768   1.734
  216   3HG2  VAL  29          3HG2      VAL  29   3.501  -0.375   0.534
  217    H    ILE  30           H        ILE  30   5.997   0.509  -3.063
  218    HA   ILE  30           HA       ILE  30   8.681  -0.587  -3.454
  219    HB   ILE  30           HB       ILE  30   8.392   0.893  -5.645
  220   1HG1  ILE  30          2HG1      ILE  30   6.058   1.577  -4.615
  221   2HG1  ILE  30          1HG1      ILE  30   6.236   1.328  -6.340
  222   1HG2  ILE  30          1HG2      ILE  30   8.804  -1.308  -6.045
  223   2HG2  ILE  30          2HG2      ILE  30   7.130  -1.212  -6.593
  224   3HG2  ILE  30          3HG2      ILE  30   7.499  -1.860  -4.994
  225   1HD1  ILE  30          1HD1      ILE  30   5.110  -0.635  -4.368
  226   2HD1  ILE  30          2HD1      ILE  30   5.335  -0.935  -6.091
  227   3HD1  ILE  30          3HD1      ILE  30   4.209   0.307  -5.553
  228    H    GLU  31           H        GLU  31   6.995   2.521  -3.216
  229    HA   GLU  31           HA       GLU  31   9.596   3.848  -2.834
  230   1HB   GLU  31          2HB       GLU  31   8.022   4.586  -4.724
  231   2HB   GLU  31          1HB       GLU  31   7.001   5.246  -3.454
  232   1HG   GLU  31          2HG       GLU  31   8.406   6.972  -4.383
  233   2HG   GLU  31          1HG       GLU  31   8.850   6.661  -2.706
  234    H    LYS  32           H        LYS  32  10.079   4.396  -0.811
  235    HA   LYS  32           HA       LYS  32   7.928   4.530   1.158
  236   1HB   LYS  32          2HB       LYS  32  10.897   4.120   1.355
  237   2HB   LYS  32          1HB       LYS  32   9.930   4.516   2.765
  238   1HG   LYS  32          2HG       LYS  32  10.257   2.134   2.639
  239   2HG   LYS  32          1HG       LYS  32   8.557   2.517   2.364
  240   1HD   LYS  32          2HD       LYS  32   8.883   2.292  -0.042
  241   2HD   LYS  32          1HD       LYS  32  10.594   1.950   0.210
  242   1HE   LYS  32          2HE       LYS  32   9.220   0.147   1.846
  243   2HE   LYS  32          1HE       LYS  32   8.323   0.180   0.327
  244   1HZ   LYS  32          1HZ       LYS  32  10.920   0.070  -0.465
  245   2HZ   LYS  32          2HZ       LYS  32   9.859  -1.244  -0.393
  246   3HZ   LYS  32          3HZ       LYS  32  10.906  -0.931   0.899
  247    HA   PRO  33           HA       PRO  33   8.595   8.921   1.446
  248   1HB   PRO  33          2HB       PRO  33   6.688   9.396   3.331
  249   2HB   PRO  33          1HB       PRO  33   6.324   9.076   1.635
  250   1HG   PRO  33          2HG       PRO  33   5.836   7.402   3.965
  251   2HG   PRO  33          1HG       PRO  33   5.221   7.224   2.317
  252   1HD   PRO  33          2HD       PRO  33   7.431   5.840   3.612
  253   2HD   PRO  33          1HD       PRO  33   6.648   5.493   2.058
  254    H    GLU  34           H        GLU  34   9.972   6.865   3.408
  255    HA   GLU  34           HA       GLU  34  10.193   8.381   5.843
  256   1HB   GLU  34          2HB       GLU  34  11.872   6.690   6.476
  257   2HB   GLU  34          1HB       GLU  34  10.374   5.957   5.920
  258   1HG   GLU  34          2HG       GLU  34  11.340   5.370   3.832
  259   2HG   GLU  34          1HG       GLU  34  12.782   6.330   4.162
  260    H    ASN  35           H        ASN  35  12.115   7.898   2.934
  261    HA   ASN  35           HA       ASN  35  14.181   9.702   3.954
  262   1HB   ASN  35          2HB       ASN  35  15.460   9.024   1.953
  263   2HB   ASN  35          1HB       ASN  35  14.964   7.636   2.916
  264   1HD2  ASN  35          1HD2      ASN  35  13.537   6.174   2.082
  265   2HD2  ASN  35          2HD2      ASN  35  13.016   6.191   0.436
  266    H    ASP  36           H        ASP  36  11.922   9.358   1.248
  267    HA   ASP  36           HA       ASP  36  12.221  12.244   0.737
  268   1HB   ASP  36          2HB       ASP  36  13.188  10.774  -1.064
  269   2HB   ASP  36          1HB       ASP  36  11.562  10.160  -1.349
  270    HA   PRO  37           HA       PRO  37   7.871  11.802   2.025
  271   1HB   PRO  37          2HB       PRO  37   8.037  14.754   1.902
  272   2HB   PRO  37          1HB       PRO  37   7.512  13.710   3.227
  273   1HG   PRO  37          2HG       PRO  37   9.858  14.988   3.320
  274   2HG   PRO  37          1HG       PRO  37   9.672  13.351   3.978
  275   1HD   PRO  37          2HD       PRO  37  10.890  14.228   1.386
  276   2HD   PRO  37          1HD       PRO  37  11.434  12.974   2.519
  277    H    GLU  38           H        GLU  38   7.574  11.000  -0.228
  278    HA   GLU  38           HA       GLU  38   6.403  13.097  -1.933
  279   1HB   GLU  38          2HB       GLU  38   8.378  12.191  -2.997
  280   2HB   GLU  38          1HB       GLU  38   7.802  10.549  -2.758
  281   1HG   GLU  38          2HG       GLU  38   7.406  11.049  -5.014
  282   2HG   GLU  38          1HG       GLU  38   5.837  11.160  -4.220
  283    H    TRP  39           H        TRP  39   6.206   9.575  -2.278
  284    HA   TRP  39           HA       TRP  39   3.464   9.550  -1.345
  285   1HB   TRP  39          2HB       TRP  39   4.212   9.417  -4.218
  286   2HB   TRP  39          1HB       TRP  39   2.948   8.323  -3.664
  287    HD1  TRP  39           HD       TRP  39   1.242  10.042  -1.788
  288    HE1  TRP  39           1HE      TRP  39  -0.040  12.109  -2.628
  289    HE3  TRP  39           3HE      TRP  39   3.959  11.028  -6.007
  290    HZ2  TRP  39           2HZ      TRP  39   0.084  13.920  -4.790
  291    HZ3  TRP  39           3HZ      TRP  39   3.312  12.946  -7.405
  292    HH2  TRP  39           HH       TRP  39   1.413  14.361  -6.808
  293    H    TRP  40           H        TRP  40   2.536   7.354  -1.303
  294    HA   TRP  40           HA       TRP  40   4.593   5.261  -1.260
  295   1HB   TRP  40          2HB       TRP  40   4.339   5.678   0.991
  296   2HB   TRP  40          1HB       TRP  40   2.677   6.201   0.827
  297    HD1  TRP  40           HD       TRP  40   1.799   3.201  -0.467
  298    HE1  TRP  40           1HE      TRP  40   1.465   1.338   1.259
  299    HE3  TRP  40           3HE      TRP  40   4.477   5.189   3.399
  300    HZ2  TRP  40           2HZ      TRP  40   2.211   0.791   3.897
  301    HZ3  TRP  40           3HZ      TRP  40   4.614   3.921   5.499
  302    HH2  TRP  40           HH       TRP  40   3.502   1.762   5.736
  303    H    LYS  41           H        LYS  41   4.108   4.044  -2.925
  304    HA   LYS  41           HA       LYS  41   1.314   3.290  -3.386
  305   1HB   LYS  41          2HB       LYS  41   1.983   3.063  -5.822
  306   2HB   LYS  41          1HB       LYS  41   1.776   4.681  -5.189
  307   1HG   LYS  41          2HG       LYS  41   3.696   4.876  -6.392
  308   2HG   LYS  41          1HG       LYS  41   4.333   4.565  -4.786
  309   1HD   LYS  41          2HD       LYS  41   5.565   3.082  -6.020
  310   2HD   LYS  41          1HD       LYS  41   4.183   2.089  -5.589
  311   1HE   LYS  41          2HE       LYS  41   5.154   2.736  -8.172
  312   2HE   LYS  41          1HE       LYS  41   3.812   1.685  -7.729
  313   1HZ   LYS  41          1HZ       LYS  41   2.957   3.327  -9.167
  314   2HZ   LYS  41          2HZ       LYS  41   3.723   4.586  -8.340
  315   3HZ   LYS  41          3HZ       LYS  41   2.431   3.768  -7.620
  316    H    CYS  42           H        CYS  42   0.819   1.216  -3.784
  317    HA   CYS  42           HA       CYS  42   3.049  -0.685  -3.817
  318   1HB   CYS  42          2HB       CYS  42   0.527  -1.554  -2.522
  319   2HB   CYS  42          1HB       CYS  42   2.189  -1.921  -2.095
  320    HG   CYS  42           HG       CYS  42   0.496   0.303  -0.914
  321    H    LYS  43           H        LYS  43   2.538  -2.758  -4.803
  322    HA   LYS  43           HA       LYS  43   0.688  -2.435  -7.023
  323   1HB   LYS  43          2HB       LYS  43   1.794  -4.366  -7.992
  324   2HB   LYS  43          1HB       LYS  43   2.986  -3.186  -7.466
  325   1HG   LYS  43          2HG       LYS  43   3.234  -4.541  -5.360
  326   2HG   LYS  43          1HG       LYS  43   2.253  -5.781  -6.144
  327   1HD   LYS  43          2HD       LYS  43   4.606  -6.287  -6.426
  328   2HD   LYS  43          1HD       LYS  43   3.888  -5.877  -7.985
  329   1HE   LYS  43          2HE       LYS  43   6.134  -4.853  -7.554
  330   2HE   LYS  43          1HE       LYS  43   4.856  -3.702  -7.948
  331   1HZ   LYS  43          1HZ       LYS  43   4.793  -2.905  -5.813
  332   2HZ   LYS  43          2HZ       LYS  43   6.442  -3.249  -5.967
  333   3HZ   LYS  43          3HZ       LYS  43   5.431  -4.316  -5.131
  334    H    ASN  44           H        ASN  44  -0.979  -3.723  -7.501
  335    HA   ASN  44           HA       ASN  44  -1.844  -5.659  -5.465
  336   1HB   ASN  44          2HB       ASN  44  -3.084  -3.297  -5.895
  337   2HB   ASN  44          1HB       ASN  44  -3.903  -4.286  -7.099
  338   1HD2  ASN  44          1HD2      ASN  44  -4.073  -3.213  -4.026
  339   2HD2  ASN  44          2HD2      ASN  44  -5.050  -4.454  -3.328
  340    H    ALA  45           H        ALA  45  -3.698  -7.034  -6.472
  341    HA   ALA  45           HA       ALA  45  -2.509  -8.490  -8.579
  342   1HB   ALA  45          1HB       ALA  45  -5.341  -9.031  -8.101
  343   2HB   ALA  45          2HB       ALA  45  -4.343  -9.050  -6.647
  344   3HB   ALA  45          3HB       ALA  45  -3.945 -10.105  -8.004
  345    H    ARG  46           H        ARG  46  -4.070  -5.603  -8.801
  346    HA   ARG  46           HA       ARG  46  -5.620  -6.151 -11.183
  347   1HB   ARG  46          2HB       ARG  46  -4.888  -3.369 -10.377
  348   2HB   ARG  46          1HB       ARG  46  -6.386  -3.969 -11.064
  349   1HG   ARG  46          2HG       ARG  46  -5.534  -4.600  -8.256
  350   2HG   ARG  46          1HG       ARG  46  -6.465  -3.166  -8.676
  351   1HD   ARG  46          2HD       ARG  46  -8.039  -4.797  -8.006
  352   2HD   ARG  46          1HD       ARG  46  -8.138  -4.699  -9.762
  353    HE   ARG  46           HE       ARG  46  -6.377  -6.758  -8.765
  354   1HH1  ARG  46          1HH1      ARG  46  -9.631  -5.958  -9.747
  355   2HH1  ARG  46          2HH1      ARG  46 -10.061  -7.597 -10.097
  356   1HH2  ARG  46          1HH2      ARG  46  -6.946  -8.918  -9.227
  357   2HH2  ARG  46          2HH2      ARG  46  -8.540  -9.277  -9.802
  358    H    GLY  47           H        GLY  47  -2.370  -5.716 -10.513
  359   1HA   GLY  47          2HA       GLY  47  -0.609  -5.676 -12.040
  360   2HA   GLY  47          1HA       GLY  47  -1.760  -5.318 -13.320
  361    H    GLN  48           H        GLN  48  -2.707  -3.171 -11.214
  362    HA   GLN  48           HA       GLN  48  -0.745  -1.133 -11.997
  363   1HB   GLN  48          2HB       GLN  48  -3.711  -1.178 -12.063
  364   2HB   GLN  48          1HB       GLN  48  -2.967   0.322 -11.529
  365   1HG   GLN  48          2HG       GLN  48  -3.474   0.242 -13.954
  366   2HG   GLN  48          1HG       GLN  48  -1.778   0.548 -13.584
  367   1HE2  GLN  48          1HE2      GLN  48  -0.706  -0.299 -15.242
  368   2HE2  GLN  48          2HE2      GLN  48  -0.862  -1.923 -15.811
  369    H    VAL  49           H        VAL  49   0.014   0.212 -10.427
  370    HA   VAL  49           HA       VAL  49  -1.066  -0.210  -7.719
  371    HB   VAL  49           HB       VAL  49   1.010  -0.944  -7.272
  372   1HG1  VAL  49          1HG1      VAL  49   1.963   0.575  -9.653
  373   2HG1  VAL  49          2HG1      VAL  49   1.807  -1.171  -9.455
  374   3HG1  VAL  49          3HG1      VAL  49   3.044  -0.288  -8.559
  375   1HG2  VAL  49          1HG2      VAL  49   1.862   1.921  -7.453
  376   2HG2  VAL  49          2HG2      VAL  49   2.430   0.683  -6.335
  377   3HG2  VAL  49          3HG2      VAL  49   0.793   1.321  -6.187
  378    H    GLY  50           H        GLY  50  -1.774   1.500  -6.642
  379   1HA   GLY  50          2HA       GLY  50  -1.237   4.153  -7.813
  380   2HA   GLY  50          1HA       GLY  50  -2.748   3.719  -7.044
  381    H    LEU  51           H        LEU  51  -2.427   5.595  -5.761
  382    HA   LEU  51           HA       LEU  51  -0.306   5.366  -3.765
  383   1HB   LEU  51          2HB       LEU  51  -1.834   7.592  -4.922
  384   2HB   LEU  51          1HB       LEU  51  -1.533   7.722  -3.201
  385    HG   LEU  51           HG       LEU  51   0.757   7.942  -3.469
  386   1HD1  LEU  51          1HD1      LEU  51   0.403   6.066  -5.637
  387   2HD1  LEU  51          2HD1      LEU  51   1.829   6.413  -4.660
  388   3HD1  LEU  51          3HD1      LEU  51   1.485   7.381  -6.091
  389   1HD2  LEU  51          1HD2      LEU  51  -0.552   9.117  -5.903
  390   2HD2  LEU  51          2HD2      LEU  51   1.123   9.442  -5.460
  391   3HD2  LEU  51          3HD2      LEU  51  -0.185   9.910  -4.372
  392    H    VAL  52           H        VAL  52  -0.652   4.901  -1.753
  393    HA   VAL  52           HA       VAL  52  -3.426   4.474  -0.830
  394    HB   VAL  52           HB       VAL  52  -2.370   2.368  -1.082
  395   1HG1  VAL  52          1HG1      VAL  52  -0.095   2.191   0.363
  396   2HG1  VAL  52          2HG1      VAL  52  -0.017   3.871  -0.169
  397   3HG1  VAL  52          3HG1      VAL  52  -0.148   2.577  -1.359
  398   1HG2  VAL  52          1HG2      VAL  52  -2.487   3.300   1.777
  399   2HG2  VAL  52          2HG2      VAL  52  -1.837   1.702   1.403
  400   3HG2  VAL  52          3HG2      VAL  52  -3.481   2.113   0.927
  401    HA   PRO  53           HA       PRO  53  -2.814   7.186   2.656
  402   1HB   PRO  53          2HB       PRO  53  -4.199   5.792   4.532
  403   2HB   PRO  53          1HB       PRO  53  -5.004   6.689   3.238
  404   1HG   PRO  53          2HG       PRO  53  -4.218   3.771   3.292
  405   2HG   PRO  53          1HG       PRO  53  -5.836   4.469   2.979
  406   1HD   PRO  53          2HD       PRO  53  -4.360   3.800   0.930
  407   2HD   PRO  53          1HD       PRO  53  -5.115   5.409   0.922
  408    H    LYS  54           H        LYS  54  -0.478   6.569   2.684
  409    HA   LYS  54           HA       LYS  54   0.654   4.415   3.929
  410   1HB   LYS  54          2HB       LYS  54   2.533   6.029   4.527
  411   2HB   LYS  54          1HB       LYS  54   2.102   5.837   2.833
  412   1HG   LYS  54          2HG       LYS  54   1.985   8.033   2.754
  413   2HG   LYS  54          1HG       LYS  54   0.482   7.897   3.657
  414   1HD   LYS  54          2HD       LYS  54   1.937   7.926   5.752
  415   2HD   LYS  54          1HD       LYS  54   3.239   8.486   4.697
  416   1HE   LYS  54          2HE       LYS  54   1.208  10.147   3.980
  417   2HE   LYS  54          1HE       LYS  54   0.863   9.898   5.691
  418   1HZ   LYS  54          1HZ       LYS  54   2.450  11.791   4.939
  419   2HZ   LYS  54          2HZ       LYS  54   3.603  10.556   4.863
  420   3HZ   LYS  54          3HZ       LYS  54   2.814  10.887   6.322
  421    H    ASN  55           H        ASN  55  -0.952   7.096   5.430
  422    HA   ASN  55           HA       ASN  55   0.119   6.592   8.059
  423   1HB   ASN  55          2HB       ASN  55  -1.158   8.744   6.830
  424   2HB   ASN  55          1HB       ASN  55  -2.321   8.170   8.021
  425   1HD2  ASN  55          1HD2      ASN  55  -1.965  10.203   9.077
  426   2HD2  ASN  55          2HD2      ASN  55  -0.595  10.408  10.110
  427    H    TYR  56           H        TYR  56  -2.313   5.240   6.163
  428    HA   TYR  56           HA       TYR  56  -3.855   4.291   8.472
  429   1HB   TYR  56          2HB       TYR  56  -4.411   4.117   5.502
  430   2HB   TYR  56          1HB       TYR  56  -5.467   3.488   6.758
  431    HD1  TYR  56           1HD      TYR  56  -7.390   4.733   6.674
  432    HD2  TYR  56           2HD      TYR  56  -3.653   6.759   6.515
  433    HE1  TYR  56           1HE      TYR  56  -8.563   6.892   6.809
  434    HE2  TYR  56           2HE      TYR  56  -4.813   8.922   6.655
  435    HH   TYR  56           HH       TYR  56  -7.576   9.576   5.927
  436    H    VAL  57           H        VAL  57  -1.155   3.313   7.830
  437    HA   VAL  57           HA       VAL  57  -1.801   0.469   7.683
  438    HB   VAL  57           HB       VAL  57  -0.414  -0.045   5.858
  439   1HG1  VAL  57          1HG1      VAL  57  -1.673   2.582   5.075
  440   2HG1  VAL  57          2HG1      VAL  57  -2.550   1.060   5.212
  441   3HG1  VAL  57          3HG1      VAL  57  -1.271   1.236   4.009
  442   1HG2  VAL  57          1HG2      VAL  57   1.552   1.000   5.783
  443   2HG2  VAL  57          2HG2      VAL  57   0.922   2.428   6.604
  444   3HG2  VAL  57          3HG2      VAL  57   0.724   2.256   4.862
  445    H    VAL  58           H        VAL  58   0.361  -0.820   7.758
  446    HA   VAL  58           HA       VAL  58   2.348   0.452   9.496
  447    HB   VAL  58           HB       VAL  58   0.879  -0.718  11.044
  448   1HG1  VAL  58          1HG1      VAL  58   0.428  -2.483   9.017
  449   2HG1  VAL  58          2HG1      VAL  58  -0.040  -2.729  10.699
  450   3HG1  VAL  58          3HG1      VAL  58   1.465  -3.420  10.092
  451   1HG2  VAL  58          1HG2      VAL  58   2.563  -1.571  12.278
  452   2HG2  VAL  58          2HG2      VAL  58   3.567  -0.938  10.974
  453   3HG2  VAL  58          3HG2      VAL  58   3.110  -2.641  10.986
  454    H    VAL  59           H        VAL  59   4.203   0.264   8.417
  455    HA   VAL  59           HA       VAL  59   4.589  -1.490   6.256
  456    HB   VAL  59           HB       VAL  59   6.811  -0.105   7.737
  457   1HG1  VAL  59          1HG1      VAL  59   7.264  -0.127   4.984
  458   2HG1  VAL  59          2HG1      VAL  59   6.636  -1.731   5.349
  459   3HG1  VAL  59          3HG1      VAL  59   8.061  -1.132   6.196
  460   1HG2  VAL  59          1HG2      VAL  59   4.807   1.340   6.999
  461   2HG2  VAL  59          2HG2      VAL  59   5.381   1.022   5.363
  462   3HG2  VAL  59          3HG2      VAL  59   6.428   1.841   6.520
  463    H    LEU  60           H        LEU  60   5.905  -3.183   5.908
  464    HA   LEU  60           HA       LEU  60   6.612  -4.804   8.216
  465   1HB   LEU  60          2HB       LEU  60   5.222  -5.376   5.793
  466   2HB   LEU  60          1HB       LEU  60   6.727  -6.275   5.781
  467    HG   LEU  60           HG       LEU  60   6.156  -7.386   7.836
  468   1HD1  LEU  60          1HD1      LEU  60   3.555  -6.781   8.445
  469   2HD1  LEU  60          2HD1      LEU  60   4.239  -5.202   8.063
  470   3HD1  LEU  60          3HD1      LEU  60   4.975  -6.202   9.315
  471   1HD2  LEU  60          1HD2      LEU  60   5.240  -8.691   6.222
  472   2HD2  LEU  60          2HD2      LEU  60   4.239  -7.388   5.582
  473   3HD2  LEU  60          3HD2      LEU  60   3.753  -8.232   7.053
  474    H    SER  61           H        SER  61   8.532  -6.144   7.853
  475    HA   SER  61           HA       SER  61  10.811  -4.629   7.384
  476   1HB   SER  61          2HB       SER  61  10.893  -7.615   7.097
  477   2HB   SER  61          1HB       SER  61  12.049  -6.538   7.880
  478    HG   SER  61           HG       SER  61  10.666  -6.315   9.598
  Start of MODEL    6
    1   1H    GLY   1          1HT       GLY   1  13.670  -9.669   5.737
    2   2H    GLY   1          2HT       GLY   1  13.383 -11.269   5.268
    3   3H    GLY   1          3HT       GLY   1  12.335 -10.041   4.767
    4   1HA   GLY   1          1HA       GLY   1  15.140  -9.736   4.043
    5   2HA   GLY   1          2HA       GLY   1  14.248 -11.006   3.219
    6    H    SER   2           H        SER   2  12.159 -10.339   2.217
    7    HA   SER   2           HA       SER   2  12.580  -8.133   0.497
    8   1HB   SER   2          2HB       SER   2  10.842 -10.345   0.590
    9   2HB   SER   2          1HB       SER   2   9.796  -8.922   0.589
   10    HG   SER   2           HG       SER   2  10.707  -8.266  -1.317
   11    H    HIS   3           H        HIS   3  11.646  -6.110   0.430
   12    HA   HIS   3           HA       HIS   3  10.701  -5.090   2.968
   13   1HB   HIS   3          2HB       HIS   3  10.399  -3.139   0.898
   14   2HB   HIS   3          1HB       HIS   3  11.530  -3.146   2.241
   15    HD1  HIS   3           1HD      HIS   3  11.397  -3.255  -1.370
   16    HD2  HIS   3           2HD      HIS   3  14.018  -4.600   1.560
   17    HE1  HIS   3           1HE      HIS   3  13.570  -3.690  -2.560
   18    HE2  HIS   3           2HE      HIS   3  15.117  -4.580  -0.781
   19    H    VAL   4           H        VAL   4   8.670  -5.376   3.523
   20    HA   VAL   4           HA       VAL   4   6.601  -5.069   1.447
   21    HB   VAL   4           HB       VAL   4   5.880  -6.864   3.657
   22   1HG1  VAL   4          1HG1      VAL   4   4.833  -6.258   1.257
   23   2HG1  VAL   4          2HG1      VAL   4   4.526  -7.782   2.090
   24   3HG1  VAL   4          3HG1      VAL   4   5.754  -7.699   0.826
   25   1HG2  VAL   4          1HG2      VAL   4   8.221  -7.527   3.365
   26   2HG2  VAL   4          2HG2      VAL   4   7.935  -7.763   1.641
   27   3HG2  VAL   4          3HG2      VAL   4   7.113  -8.786   2.818
   28    H    VAL   5           H        VAL   5   4.405  -4.690   2.423
   29    HA   VAL   5           HA       VAL   5   4.607  -3.176   4.917
   30    HB   VAL   5           HB       VAL   5   4.381  -1.282   3.804
   31   1HG1  VAL   5          1HG1      VAL   5   4.659  -1.159   1.643
   32   2HG1  VAL   5          2HG1      VAL   5   3.118  -1.950   1.311
   33   3HG1  VAL   5          3HG1      VAL   5   4.559  -2.914   1.621
   34   1HG2  VAL   5          1HG2      VAL   5   2.149  -0.581   3.074
   35   2HG2  VAL   5          2HG2      VAL   5   2.137  -1.382   4.648
   36   3HG2  VAL   5          3HG2      VAL   5   1.607  -2.255   3.211
   37    H    GLN   6           H        GLN   6   2.709  -2.974   6.126
   38    HA   GLN   6           HA       GLN   6   0.753  -5.093   5.529
   39   1HB   GLN   6          2HB       GLN   6   2.412  -5.063   7.638
   40   2HB   GLN   6          1HB       GLN   6   1.074  -4.144   8.312
   41   1HG   GLN   6          2HG       GLN   6  -0.433  -5.934   8.029
   42   2HG   GLN   6          1HG       GLN   6   0.699  -6.820   7.008
   43   1HE2  GLN   6          1HE2      GLN   6  -0.202  -5.984  10.235
   44   2HE2  GLN   6          2HE2      GLN   6   0.878  -7.061  11.045
   45    H    THR   7           H        THR   7  -1.432  -4.712   5.834
   46    HA   THR   7           HA       THR   7  -2.135  -1.882   6.283
   47    HB   THR   7           HB       THR   7  -4.285  -2.737   4.992
   48    HG1  THR   7           1HG      THR   7  -3.735  -4.800   4.563
   49   1HG2  THR   7          1HG2      THR   7  -1.692  -1.925   3.704
   50   2HG2  THR   7          2HG2      THR   7  -3.047  -0.891   4.155
   51   3HG2  THR   7          3HG2      THR   7  -3.221  -2.050   2.837
   52    H    LEU   8           H        LEU   8  -4.080  -1.412   7.339
   53    HA   LEU   8           HA       LEU   8  -5.238  -3.606   8.896
   54   1HB   LEU   8          2HB       LEU   8  -5.407  -1.344  10.508
   55   2HB   LEU   8          1HB       LEU   8  -4.433  -2.766  10.783
   56    HG   LEU   8           HG       LEU   8  -3.085  -0.797  11.044
   57   1HD1  LEU   8          1HD1      LEU   8  -2.394  -2.926   9.509
   58   2HD1  LEU   8          2HD1      LEU   8  -1.289  -1.659  10.047
   59   3HD1  LEU   8          3HD1      LEU   8  -2.017  -1.572   8.442
   60   1HD2  LEU   8          1HD2      LEU   8  -3.662  -0.063   8.204
   61   2HD2  LEU   8          2HD2      LEU   8  -2.802   0.878   9.418
   62   3HD2  LEU   8          3HD2      LEU   8  -4.541   0.620   9.567
   63    H    TYR   9           H        TYR   9  -5.622  -0.259   7.767
   64    HA   TYR   9           HA       TYR   9  -8.527  -0.505   8.089
   65   1HB   TYR   9          2HB       TYR   9  -6.720   1.873   7.654
   66   2HB   TYR   9          1HB       TYR   9  -8.475   1.986   7.560
   67    HD1  TYR   9           1HD      TYR   9  -5.816   2.585   9.640
   68    HD2  TYR   9           2HD      TYR   9  -9.635   0.708   9.703
   69    HE1  TYR   9           1HE      TYR   9  -5.916   2.883  12.079
   70    HE2  TYR   9           2HE      TYR   9  -9.745   1.002  12.144
   71    HH   TYR   9           HH       TYR   9  -8.793   2.328  13.887
   72    HA   PRO  10           HA       PRO  10  -9.495  -0.966   3.823
   73   1HB   PRO  10          2HB       PRO  10 -11.481   0.923   3.494
   74   2HB   PRO  10          1HB       PRO  10 -11.726  -0.681   4.190
   75   1HG   PRO  10          2HG       PRO  10 -11.350   1.943   5.568
   76   2HG   PRO  10          1HG       PRO  10 -12.452   0.612   5.970
   77   1HD   PRO  10          2HD       PRO  10 -10.174   1.006   7.329
   78   2HD   PRO  10          1HD       PRO  10 -10.780  -0.629   6.991
   79    H    PHE  11           H        PHE  11  -9.444   0.103   1.728
   80    HA   PHE  11           HA       PHE  11  -7.808   2.549   1.803
   81   1HB   PHE  11          2HB       PHE  11  -7.751   0.123   0.071
   82   2HB   PHE  11          1HB       PHE  11  -7.268   1.660  -0.638
   83    HD1  PHE  11           1HD      PHE  11  -4.980   1.172  -0.979
   84    HD2  PHE  11           2HD      PHE  11  -6.708   0.694   2.877
   85    HE1  PHE  11           1HE      PHE  11  -2.735   0.914  -0.004
   86    HE2  PHE  11           2HE      PHE  11  -4.473   0.438   3.859
   87    HZ   PHE  11           HZ       PHE  11  -2.481   0.546   2.419
   88    H    SER  12           H        SER  12  -8.404   4.313   0.710
   89    HA   SER  12           HA       SER  12 -10.716   4.139  -1.100
   90   1HB   SER  12          2HB       SER  12 -10.339   5.852   1.305
   91   2HB   SER  12          1HB       SER  12 -11.097   6.599  -0.101
   92    HG   SER  12           HG       SER  12 -12.242   5.065   1.684
   93    H    SER  13           H        SER  13 -10.161   4.811  -3.062
   94    HA   SER  13           HA       SER  13  -7.891   6.653  -3.329
   95   1HB   SER  13          2HB       SER  13  -9.102   4.597  -5.156
   96   2HB   SER  13          1HB       SER  13  -8.067   5.874  -5.796
   97    HG   SER  13           HG       SER  13  -7.306   4.172  -3.664
   98    H    VAL  14           H        VAL  14  -8.016   8.540  -4.480
   99    HA   VAL  14           HA       VAL  14 -10.626   9.299  -5.584
  100    HB   VAL  14           HB       VAL  14 -10.400  11.549  -4.587
  101   1HG1  VAL  14          1HG1      VAL  14 -10.745   9.089  -2.971
  102   2HG1  VAL  14          2HG1      VAL  14 -11.892  10.379  -3.332
  103   3HG1  VAL  14          3HG1      VAL  14 -10.648  10.623  -2.107
  104   1HG2  VAL  14          1HG2      VAL  14  -8.070  11.749  -4.219
  105   2HG2  VAL  14          2HG2      VAL  14  -8.030  10.295  -3.222
  106   3HG2  VAL  14          3HG2      VAL  14  -8.823  11.752  -2.624
  107    H    THR  15           H        THR  15  -7.191  10.147  -5.270
  108    HA   THR  15           HA       THR  15  -7.146  11.959  -7.444
  109    HB   THR  15           HB       THR  15  -4.698  10.436  -6.662
  110    HG1  THR  15           1HG      THR  15  -4.707  11.152  -4.685
  111   1HG2  THR  15          1HG2      THR  15  -4.289  13.176  -6.439
  112   2HG2  THR  15          2HG2      THR  15  -5.295  12.974  -7.873
  113   3HG2  THR  15          3HG2      THR  15  -3.760  12.117  -7.746
  114    H    GLU  16           H        GLU  16  -5.567  11.535  -9.341
  115    HA   GLU  16           HA       GLU  16  -6.659   9.364 -10.851
  116   1HB   GLU  16          2HB       GLU  16  -5.295  11.799 -11.395
  117   2HB   GLU  16          1HB       GLU  16  -4.387  10.501 -12.155
  118   1HG   GLU  16          2HG       GLU  16  -5.998  10.072 -13.668
  119   2HG   GLU  16          1HG       GLU  16  -7.305  10.429 -12.538
  120    H    GLU  17           H        GLU  17  -3.573  10.034  -9.290
  121    HA   GLU  17           HA       GLU  17  -2.124   7.876 -10.377
  122   1HB   GLU  17          2HB       GLU  17  -1.664   8.950  -7.601
  123   2HB   GLU  17          1HB       GLU  17  -0.488   8.298  -8.732
  124   1HG   GLU  17          2HG       GLU  17  -0.962  10.275 -10.202
  125   2HG   GLU  17          1HG       GLU  17  -1.888  10.950  -8.862
  126    H    GLU  18           H        GLU  18  -3.931   8.182  -7.337
  127    HA   GLU  18           HA       GLU  18  -3.468   5.674  -6.269
  128   1HB   GLU  18          2HB       GLU  18  -5.512   7.764  -5.979
  129   2HB   GLU  18          1HB       GLU  18  -6.065   6.161  -5.542
  130   1HG   GLU  18          2HG       GLU  18  -4.845   6.109  -3.675
  131   2HG   GLU  18          1HG       GLU  18  -3.453   6.872  -4.441
  132    H    LEU  19           H        LEU  19  -5.763   4.281  -5.934
  133    HA   LEU  19           HA       LEU  19  -7.427   3.850  -8.107
  134   1HB   LEU  19          2HB       LEU  19  -6.549   2.136  -9.371
  135   2HB   LEU  19          1HB       LEU  19  -5.139   3.127  -9.074
  136    HG   LEU  19           HG       LEU  19  -4.327   1.001  -8.782
  137   1HD1  LEU  19          1HD1      LEU  19  -4.267   2.600  -6.694
  138   2HD1  LEU  19          2HD1      LEU  19  -3.501   1.012  -6.729
  139   3HD1  LEU  19          3HD1      LEU  19  -5.079   1.216  -5.969
  140   1HD2  LEU  19          1HD2      LEU  19  -6.500   0.048  -6.980
  141   2HD2  LEU  19          2HD2      LEU  19  -5.443  -0.869  -8.052
  142   3HD2  LEU  19          3HD2      LEU  19  -6.780   0.065  -8.722
  143    H    ASN  20           H        ASN  20  -8.783   1.913  -7.849
  144    HA   ASN  20           HA       ASN  20  -8.903   1.200  -5.009
  145   1HB   ASN  20          2HB       ASN  20 -11.252   0.418  -5.649
  146   2HB   ASN  20          1HB       ASN  20 -10.942   2.150  -5.694
  147   1HD2  ASN  20          1HD2      ASN  20 -10.795   3.196  -7.678
  148   2HD2  ASN  20          2HD2      ASN  20 -11.389   2.482  -9.136
  149    H    PHE  21           H        PHE  21  -8.150  -0.665  -4.390
  150    HA   PHE  21           HA       PHE  21  -8.577  -3.040  -6.064
  151   1HB   PHE  21          2HB       PHE  21  -6.297  -3.833  -5.188
  152   2HB   PHE  21          1HB       PHE  21  -6.295  -2.624  -6.466
  153    HD1  PHE  21           1HD      PHE  21  -4.618  -1.094  -6.237
  154    HD2  PHE  21           2HD      PHE  21  -6.557  -2.535  -2.733
  155    HE1  PHE  21           1HE      PHE  21  -3.205   0.370  -4.854
  156    HE2  PHE  21           2HE      PHE  21  -5.154  -1.069  -1.345
  157    HZ   PHE  21           HZ       PHE  21  -3.472   0.386  -2.406
  158    H    GLU  22           H        GLU  22  -8.411  -5.082  -4.771
  159    HA   GLU  22           HA       GLU  22  -9.966  -4.873  -2.422
  160   1HB   GLU  22          2HB       GLU  22  -9.939  -7.214  -2.334
  161   2HB   GLU  22          1HB       GLU  22  -9.797  -6.856  -4.048
  162   1HG   GLU  22          2HG       GLU  22  -7.329  -7.162  -3.821
  163   2HG   GLU  22          1HG       GLU  22  -7.616  -7.718  -2.172
  164    H    LYS  23           H        LYS  23  -9.210  -3.957  -0.641
  165    HA   LYS  23           HA       LYS  23  -6.448  -3.956   0.053
  166   1HB   LYS  23          2HB       LYS  23  -7.739  -2.045   0.665
  167   2HB   LYS  23          1HB       LYS  23  -8.916  -3.033   1.513
  168   1HG   LYS  23          2HG       LYS  23  -7.278  -1.699   2.920
  169   2HG   LYS  23          1HG       LYS  23  -7.494  -3.398   3.325
  170   1HD   LYS  23          2HD       LYS  23  -5.113  -2.418   3.276
  171   2HD   LYS  23          1HD       LYS  23  -5.380  -3.986   2.526
  172   1HE   LYS  23          2HE       LYS  23  -5.823  -2.145   0.482
  173   2HE   LYS  23          1HE       LYS  23  -4.455  -1.492   1.374
  174   1HZ   LYS  23          1HZ       LYS  23  -3.222  -2.923   0.235
  175   2HZ   LYS  23          2HZ       LYS  23  -4.568  -3.762  -0.350
  176   3HZ   LYS  23          3HZ       LYS  23  -3.912  -4.159   1.157
  177    H    GLY  24           H        GLY  24  -5.352  -5.479   1.040
  178   1HA   GLY  24          2HA       GLY  24  -6.824  -7.506   2.583
  179   2HA   GLY  24          1HA       GLY  24  -5.233  -7.729   1.866
  180    H    GLU  25           H        GLU  25  -4.387  -8.412   3.876
  181    HA   GLU  25           HA       GLU  25  -4.339  -6.497   6.034
  182   1HB   GLU  25          2HB       GLU  25  -4.781  -9.048   6.255
  183   2HB   GLU  25          1HB       GLU  25  -3.033  -9.193   6.105
  184   1HG   GLU  25          2HG       GLU  25  -2.660  -8.404   8.156
  185   2HG   GLU  25          1HG       GLU  25  -3.926  -7.187   8.008
  186    H    THR  26           H        THR  26  -2.577  -7.023   3.314
  187    HA   THR  26           HA       THR  26  -0.423  -5.449   4.234
  188    HB   THR  26           HB       THR  26   0.905  -6.983   5.090
  189    HG1  THR  26           1HG      THR  26   2.202  -7.165   3.451
  190   1HG2  THR  26          1HG2      THR  26  -0.641  -8.633   5.614
  191   2HG2  THR  26          2HG2      THR  26   0.582  -9.485   4.670
  192   3HG2  THR  26          3HG2      THR  26  -0.943  -9.017   3.920
  193    H    MET  27           H        MET  27   0.918  -4.703   2.713
  194    HA   MET  27           HA       MET  27   0.615  -5.597  -0.051
  195   1HB   MET  27          2HB       MET  27   0.805  -2.798  -0.215
  196   2HB   MET  27          1HB       MET  27  -0.579  -3.793  -0.639
  197   1HG   MET  27          2HG       MET  27  -1.656  -3.382   1.366
  198   2HG   MET  27          1HG       MET  27  -0.165  -2.924   2.188
  199   1HE   MET  27          1HE       MET  27  -1.481  -0.315  -1.279
  200   2HE   MET  27          2HE       MET  27  -2.813  -1.302  -0.685
  201   3HE   MET  27          3HE       MET  27  -1.328  -2.071  -1.246
  202    H    GLU  28           H        GLU  28   2.371  -4.592  -1.426
  203    HA   GLU  28           HA       GLU  28   4.800  -4.210   0.209
  204   1HB   GLU  28          2HB       GLU  28   5.937  -5.018  -1.977
  205   2HB   GLU  28          1HB       GLU  28   5.170  -6.202  -0.934
  206   1HG   GLU  28          2HG       GLU  28   3.466  -5.052  -3.036
  207   2HG   GLU  28          1HG       GLU  28   4.796  -6.070  -3.587
  208    H    VAL  29           H        VAL  29   5.421  -2.166   0.182
  209    HA   VAL  29           HA       VAL  29   4.693  -0.430  -2.019
  210    HB   VAL  29           HB       VAL  29   5.823   0.086   0.724
  211   1HG1  VAL  29          1HG1      VAL  29   5.416   2.096  -1.486
  212   2HG1  VAL  29          2HG1      VAL  29   6.947   1.656  -0.727
  213   3HG1  VAL  29          3HG1      VAL  29   5.709   2.496   0.206
  214   1HG2  VAL  29          1HG2      VAL  29   3.329  -0.359   0.153
  215   2HG2  VAL  29          2HG2      VAL  29   3.360   1.300  -0.442
  216   3HG2  VAL  29          3HG2      VAL  29   3.757   0.959   1.242
  217    H    ILE  30           H        ILE  30   6.011   0.347  -3.486
  218    HA   ILE  30           HA       ILE  30   8.678  -0.720  -3.703
  219    HB   ILE  30           HB       ILE  30   8.562   0.982  -5.792
  220   1HG1  ILE  30          2HG1      ILE  30   6.136   1.517  -4.846
  221   2HG1  ILE  30          1HG1      ILE  30   6.449   1.450  -6.570
  222   1HG2  ILE  30          1HG2      ILE  30   7.795  -0.933  -7.128
  223   2HG2  ILE  30          2HG2      ILE  30   7.324  -1.757  -5.642
  224   3HG2  ILE  30          3HG2      ILE  30   9.020  -1.379  -5.940
  225   1HD1  ILE  30          1HD1      ILE  30   5.586  -0.815  -6.660
  226   2HD1  ILE  30          2HD1      ILE  30   4.396   0.288  -5.978
  227   3HD1  ILE  30          3HD1      ILE  30   5.306  -0.788  -4.921
  228    H    GLU  31           H        GLU  31   7.773   2.608  -4.497
  229    HA   GLU  31           HA       GLU  31  10.280   3.595  -3.549
  230   1HB   GLU  31          2HB       GLU  31   8.637   4.470  -5.444
  231   2HB   GLU  31          1HB       GLU  31   8.011   5.441  -4.119
  232   1HG   GLU  31          2HG       GLU  31  10.942   5.418  -4.486
  233   2HG   GLU  31          1HG       GLU  31   9.985   6.249  -5.711
  234    H    LYS  32           H        LYS  32  10.798   4.361  -1.614
  235    HA   LYS  32           HA       LYS  32   8.649   4.696   0.356
  236   1HB   LYS  32          2HB       LYS  32  11.256   3.474   0.447
  237   2HB   LYS  32          1HB       LYS  32  11.143   4.739   1.663
  238   1HG   LYS  32          2HG       LYS  32  10.493   2.437   2.419
  239   2HG   LYS  32          1HG       LYS  32   9.298   3.700   2.712
  240   1HD   LYS  32          2HD       LYS  32   7.934   2.961   0.931
  241   2HD   LYS  32          1HD       LYS  32   9.213   1.940   0.271
  242   1HE   LYS  32          2HE       LYS  32   8.462   1.322   3.039
  243   2HE   LYS  32          1HE       LYS  32   7.173   1.074   1.861
  244   1HZ   LYS  32          1HZ       LYS  32   9.828  -0.217   1.983
  245   2HZ   LYS  32          2HZ       LYS  32   8.931  -0.195   0.549
  246   3HZ   LYS  32          3HZ       LYS  32   8.300  -0.943   1.928
  247    HA   PRO  33           HA       PRO  33   9.502   9.088  -0.077
  248   1HB   PRO  33          2HB       PRO  33   7.585   9.365   2.138
  249   2HB   PRO  33          1HB       PRO  33   7.500  10.002   0.494
  250   1HG   PRO  33          2HG       PRO  33   5.910   7.999   1.322
  251   2HG   PRO  33          1HG       PRO  33   6.520   8.086  -0.341
  252   1HD   PRO  33          2HD       PRO  33   7.479   6.406   1.944
  253   2HD   PRO  33          1HD       PRO  33   7.272   5.974   0.232
  254    H    GLU  34           H        GLU  34  11.577   8.054   1.106
  255    HA   GLU  34           HA       GLU  34  11.738   8.863   3.890
  256   1HB   GLU  34          2HB       GLU  34  13.081   6.978   2.237
  257   2HB   GLU  34          1HB       GLU  34  14.283   8.110   2.839
  258   1HG   GLU  34          2HG       GLU  34  13.427   7.691   5.138
  259   2HG   GLU  34          1HG       GLU  34  12.385   6.438   4.465
  260    H    ASN  35           H        ASN  35  13.444   9.628   0.855
  261    HA   ASN  35           HA       ASN  35  14.689  11.945   2.073
  262   1HB   ASN  35          2HB       ASN  35  15.737  10.356   0.313
  263   2HB   ASN  35          1HB       ASN  35  14.797  11.278  -0.857
  264   1HD2  ASN  35          1HD2      ASN  35  15.660  13.062  -1.645
  265   2HD2  ASN  35          2HD2      ASN  35  17.029  13.893  -0.998
  266    H    ASP  36           H        ASP  36  12.296  11.275  -0.457
  267    HA   ASP  36           HA       ASP  36  11.585  14.130  -0.458
  268   1HB   ASP  36          2HB       ASP  36  11.179  11.974  -2.533
  269   2HB   ASP  36          1HB       ASP  36  10.411  13.556  -2.629
  270    HA   PRO  37           HA       PRO  37   8.071  12.425   1.892
  271   1HB   PRO  37          2HB       PRO  37   7.505  15.283   2.327
  272   2HB   PRO  37          1HB       PRO  37   7.766  13.999   3.510
  273   1HG   PRO  37          2HG       PRO  37   9.590  15.924   3.093
  274   2HG   PRO  37          1HG       PRO  37  10.060  14.258   3.484
  275   1HD   PRO  37          2HD       PRO  37  10.036  15.650   0.831
  276   2HD   PRO  37          1HD       PRO  37  11.245  14.538   1.509
  277    H    GLU  38           H        GLU  38   6.529  11.721   0.517
  278    HA   GLU  38           HA       GLU  38   4.682  13.663  -0.562
  279   1HB   GLU  38          2HB       GLU  38   6.284  13.552  -2.368
  280   2HB   GLU  38          1HB       GLU  38   6.239  11.796  -2.359
  281   1HG   GLU  38          2HG       GLU  38   4.063  11.750  -3.258
  282   2HG   GLU  38          1HG       GLU  38   3.817  13.468  -2.949
  283    H    TRP  39           H        TRP  39   4.866  10.503  -2.004
  284    HA   TRP  39           HA       TRP  39   3.038   9.307  -0.093
  285   1HB   TRP  39          2HB       TRP  39   2.118   9.305  -2.943
  286   2HB   TRP  39          1HB       TRP  39   1.176   9.095  -1.475
  287    HD1  TRP  39           HD       TRP  39   0.953  11.515   0.033
  288    HE1  TRP  39           1HE      TRP  39   0.464  13.868  -0.888
  289    HE3  TRP  39           3HE      TRP  39   2.315  10.779  -4.839
  290    HZ2  TRP  39           2HZ      TRP  39   0.632  15.230  -3.355
  291    HZ3  TRP  39           3HZ      TRP  39   2.117  12.657  -6.418
  292    HH2  TRP  39           HH       TRP  39   1.291  14.837  -5.688
  293    H    TRP  40           H        TRP  40   2.608   6.989  -0.630
  294    HA   TRP  40           HA       TRP  40   4.726   5.928  -2.364
  295   1HB   TRP  40          2HB       TRP  40   5.019   4.030  -0.906
  296   2HB   TRP  40          1HB       TRP  40   5.255   5.512  -0.005
  297    HD1  TRP  40           HD       TRP  40   1.667   4.287  -0.500
  298    HE1  TRP  40           1HE      TRP  40   0.762   3.434   1.746
  299    HE3  TRP  40           3HE      TRP  40   5.974   4.473   2.212
  300    HZ2  TRP  40           2HZ      TRP  40   1.763   2.894   4.327
  301    HZ3  TRP  40           3HZ      TRP  40   5.921   3.775   4.570
  302    HH2  TRP  40           HH       TRP  40   3.847   3.009   5.605
  303    H    LYS  41           H        LYS  41   4.298   3.804  -3.309
  304    HA   LYS  41           HA       LYS  41   1.466   3.197  -3.628
  305   1HB   LYS  41          2HB       LYS  41   1.910   2.875  -6.118
  306   2HB   LYS  41          1HB       LYS  41   1.711   4.513  -5.523
  307   1HG   LYS  41          2HG       LYS  41   3.508   4.686  -6.933
  308   2HG   LYS  41          1HG       LYS  41   4.279   4.523  -5.363
  309   1HD   LYS  41          2HD       LYS  41   5.494   3.009  -6.580
  310   2HD   LYS  41          1HD       LYS  41   4.207   1.981  -5.977
  311   1HE   LYS  41          2HE       LYS  41   4.945   2.513  -8.668
  312   2HE   LYS  41          1HE       LYS  41   3.731   1.393  -8.051
  313   1HZ   LYS  41          1HZ       LYS  41   2.623   2.856  -9.502
  314   2HZ   LYS  41          2HZ       LYS  41   3.365   4.227  -8.850
  315   3HZ   LYS  41          3HZ       LYS  41   2.206   3.385  -7.952
  316    H    CYS  42           H        CYS  42   0.947   1.100  -3.927
  317    HA   CYS  42           HA       CYS  42   3.145  -0.802  -4.237
  318   1HB   CYS  42          2HB       CYS  42   1.360  -2.099  -2.529
  319   2HB   CYS  42          1HB       CYS  42   2.924  -1.439  -2.088
  320    HG   CYS  42           HG       CYS  42   1.566   0.790  -1.414
  321    H    LYS  43           H        LYS  43   2.393  -2.962  -4.922
  322    HA   LYS  43           HA       LYS  43   0.202  -2.664  -6.815
  323   1HB   LYS  43          2HB       LYS  43   2.323  -3.555  -7.626
  324   2HB   LYS  43          1HB       LYS  43   2.222  -4.880  -6.476
  325   1HG   LYS  43          2HG       LYS  43  -0.171  -4.825  -8.025
  326   2HG   LYS  43          1HG       LYS  43   1.220  -4.769  -9.109
  327   1HD   LYS  43          2HD       LYS  43   2.000  -6.670  -7.322
  328   2HD   LYS  43          1HD       LYS  43   0.257  -6.938  -7.381
  329   1HE   LYS  43          2HE       LYS  43   1.186  -8.321  -9.053
  330   2HE   LYS  43          1HE       LYS  43   0.474  -6.949  -9.900
  331   1HZ   LYS  43          1HZ       LYS  43   2.634  -7.433 -10.801
  332   2HZ   LYS  43          2HZ       LYS  43   3.352  -7.330  -9.273
  333   3HZ   LYS  43          3HZ       LYS  43   2.699  -5.947  -9.995
  334    H    ASN  44           H        ASN  44  -1.558  -3.885  -6.967
  335    HA   ASN  44           HA       ASN  44  -2.209  -5.607  -4.670
  336   1HB   ASN  44          2HB       ASN  44  -3.542  -3.293  -5.617
  337   2HB   ASN  44          1HB       ASN  44  -4.569  -4.663  -6.004
  338   1HD2  ASN  44          1HD2      ASN  44  -2.776  -3.124  -3.396
  339   2HD2  ASN  44          2HD2      ASN  44  -3.811  -3.660  -2.123
  340    H    ALA  45           H        ALA  45  -4.156  -7.066  -5.294
  341    HA   ALA  45           HA       ALA  45  -3.218  -8.752  -7.365
  342   1HB   ALA  45          1HB       ALA  45  -5.044 -10.193  -6.815
  343   2HB   ALA  45          2HB       ALA  45  -5.905  -8.880  -6.014
  344   3HB   ALA  45          3HB       ALA  45  -4.419  -9.517  -5.311
  345    H    ARG  46           H        ARG  46  -4.889  -5.916  -7.522
  346    HA   ARG  46           HA       ARG  46  -6.667  -6.542  -9.706
  347   1HB   ARG  46          2HB       ARG  46  -5.937  -4.123  -8.122
  348   2HB   ARG  46          1HB       ARG  46  -6.653  -3.888  -9.707
  349   1HG   ARG  46          2HG       ARG  46  -8.152  -3.903  -7.638
  350   2HG   ARG  46          1HG       ARG  46  -8.683  -4.780  -9.069
  351   1HD   ARG  46          2HD       ARG  46  -7.388  -6.748  -7.799
  352   2HD   ARG  46          1HD       ARG  46  -7.845  -5.777  -6.408
  353    HE   ARG  46           HE       ARG  46 -10.160  -5.957  -7.729
  354   1HH1  ARG  46          1HH1      ARG  46  -7.820  -8.391  -6.837
  355   2HH1  ARG  46          2HH1      ARG  46  -8.994  -9.659  -6.740
  356   1HH2  ARG  46          1HH2      ARG  46 -11.701  -7.622  -7.604
  357   2HH2  ARG  46          2HH2      ARG  46 -11.198  -9.224  -7.174
  358    H    GLY  47           H        GLY  47  -3.368  -6.022  -9.401
  359   1HA   GLY  47          2HA       GLY  47  -1.757  -5.876 -11.062
  360   2HA   GLY  47          1HA       GLY  47  -3.044  -5.697 -12.249
  361    H    GLN  48           H        GLN  48  -3.651  -3.567  -9.795
  362    HA   GLN  48           HA       GLN  48  -2.258  -1.372 -11.172
  363   1HB   GLN  48          2HB       GLN  48  -5.047  -1.708 -10.538
  364   2HB   GLN  48          1HB       GLN  48  -4.408  -0.357  -9.660
  365   1HG   GLN  48          2HG       GLN  48  -5.434   0.039 -11.978
  366   2HG   GLN  48          1HG       GLN  48  -3.946   0.868 -11.522
  367   1HE2  GLN  48          1HE2      GLN  48  -2.236   0.667 -12.812
  368   2HE2  GLN  48          2HE2      GLN  48  -2.098  -0.440 -14.132
  369    H    VAL  49           H        VAL  49  -0.681  -0.555  -9.947
  370    HA   VAL  49           HA       VAL  49  -1.054  -0.622  -7.035
  371    HB   VAL  49           HB       VAL  49   1.087  -1.367  -7.170
  372   1HG1  VAL  49          1HG1      VAL  49   1.557   0.184  -9.671
  373   2HG1  VAL  49          2HG1      VAL  49   1.047  -1.504  -9.593
  374   3HG1  VAL  49          3HG1      VAL  49   2.620  -1.025  -8.951
  375   1HG2  VAL  49          1HG2      VAL  49   1.785   1.500  -7.672
  376   2HG2  VAL  49          2HG2      VAL  49   2.653   0.319  -6.693
  377   3HG2  VAL  49          3HG2      VAL  49   1.097   0.942  -6.149
  378    H    GLY  50           H        GLY  50  -1.610   1.182  -6.049
  379   1HA   GLY  50          2HA       GLY  50  -1.128   3.710  -7.475
  380   2HA   GLY  50          1HA       GLY  50  -2.659   3.361  -6.700
  381    H    LEU  51           H        LEU  51  -1.790   5.537  -5.910
  382    HA   LEU  51           HA       LEU  51   0.163   5.469  -3.847
  383   1HB   LEU  51          2HB       LEU  51  -1.699   7.452  -5.014
  384   2HB   LEU  51          1HB       LEU  51  -1.114   7.773  -3.396
  385    HG   LEU  51           HG       LEU  51   1.000   8.216  -4.099
  386   1HD1  LEU  51          1HD1      LEU  51   0.550   6.059  -6.068
  387   2HD1  LEU  51          2HD1      LEU  51   1.890   6.317  -4.952
  388   3HD1  LEU  51          3HD1      LEU  51   1.777   7.269  -6.432
  389   1HD2  LEU  51          1HD2      LEU  51   0.673   9.866  -5.545
  390   2HD2  LEU  51          2HD2      LEU  51  -0.968   9.256  -5.753
  391   3HD2  LEU  51          3HD2      LEU  51   0.312   8.731  -6.846
  392    H    VAL  52           H        VAL  52  -0.051   5.232  -1.714
  393    HA   VAL  52           HA       VAL  52  -2.756   5.007  -0.588
  394    HB   VAL  52           HB       VAL  52  -2.324   2.749  -0.657
  395   1HG1  VAL  52          1HG1      VAL  52   0.357   2.368   0.200
  396   2HG1  VAL  52          2HG1      VAL  52   0.346   3.561  -1.092
  397   3HG1  VAL  52          3HG1      VAL  52  -0.378   1.983  -1.353
  398   1HG2  VAL  52          1HG2      VAL  52  -2.696   3.212   1.667
  399   2HG2  VAL  52          2HG2      VAL  52  -1.010   3.631   1.913
  400   3HG2  VAL  52          3HG2      VAL  52  -1.458   1.970   1.549
  401    HA   PRO  53           HA       PRO  53  -1.020   7.578   2.597
  402   1HB   PRO  53          2HB       PRO  53  -3.045   7.576   4.302
  403   2HB   PRO  53          1HB       PRO  53  -3.276   8.251   2.679
  404   1HG   PRO  53          2HG       PRO  53  -3.912   5.473   3.648
  405   2HG   PRO  53          1HG       PRO  53  -5.008   6.628   2.851
  406   1HD   PRO  53          2HD       PRO  53  -3.739   4.703   1.471
  407   2HD   PRO  53          1HD       PRO  53  -4.001   6.315   0.776
  408    H    LYS  54           H        LYS  54   0.621   6.743   3.765
  409    HA   LYS  54           HA       LYS  54   0.758   4.239   4.956
  410   1HB   LYS  54          2HB       LYS  54   2.656   5.142   6.203
  411   2HB   LYS  54          1HB       LYS  54   2.699   5.609   4.504
  412   1HG   LYS  54          2HG       LYS  54   2.912   7.686   5.178
  413   2HG   LYS  54          1HG       LYS  54   1.233   7.610   5.715
  414   1HD   LYS  54          2HD       LYS  54   2.105   6.678   7.892
  415   2HD   LYS  54          1HD       LYS  54   3.724   7.124   7.343
  416   1HE   LYS  54          2HE       LYS  54   2.014   9.361   6.961
  417   2HE   LYS  54          1HE       LYS  54   1.758   8.752   8.596
  418   1HZ   LYS  54          1HZ       LYS  54   4.470   9.227   7.515
  419   2HZ   LYS  54          2HZ       LYS  54   3.999   9.056   9.130
  420   3HZ   LYS  54          3HZ       LYS  54   3.584  10.453   8.274
  421    H    ASN  55           H        ASN  55  -0.981   6.956   5.931
  422    HA   ASN  55           HA       ASN  55  -0.876   6.578   8.762
  423   1HB   ASN  55          2HB       ASN  55  -1.517   8.701   7.416
  424   2HB   ASN  55          1HB       ASN  55  -3.116   7.963   7.337
  425   1HD2  ASN  55          1HD2      ASN  55  -1.171  10.000   9.059
  426   2HD2  ASN  55          2HD2      ASN  55  -2.014   9.985  10.568
  427    H    TYR  56           H        TYR  56  -2.343   4.839   6.335
  428    HA   TYR  56           HA       TYR  56  -4.399   3.821   8.180
  429   1HB   TYR  56          2HB       TYR  56  -4.432   3.756   5.158
  430   2HB   TYR  56          1HB       TYR  56  -5.715   3.211   6.232
  431    HD1  TYR  56           1HD      TYR  56  -3.694   6.299   5.588
  432    HD2  TYR  56           2HD      TYR  56  -7.477   4.627   6.576
  433    HE1  TYR  56           1HE      TYR  56  -4.697   8.545   5.550
  434    HE2  TYR  56           2HE      TYR  56  -8.492   6.864   6.541
  435    HH   TYR  56           HH       TYR  56  -8.102   9.051   5.654
  436    H    VAL  57           H        VAL  57  -1.461   3.119   7.499
  437    HA   VAL  57           HA       VAL  57  -1.905   0.239   7.544
  438    HB   VAL  57           HB       VAL  57  -0.928  -0.328   5.581
  439   1HG1  VAL  57          1HG1      VAL  57  -2.694   1.111   4.830
  440   2HG1  VAL  57          2HG1      VAL  57  -1.302   1.336   3.770
  441   3HG1  VAL  57          3HG1      VAL  57  -1.670   2.537   5.007
  442   1HG2  VAL  57          1HG2      VAL  57   1.286   0.310   5.952
  443   2HG2  VAL  57          2HG2      VAL  57   0.881   2.026   6.009
  444   3HG2  VAL  57          3HG2      VAL  57   0.849   1.161   4.472
  445    H    VAL  58           H        VAL  58   0.337  -0.882   7.623
  446    HA   VAL  58           HA       VAL  58   2.275   0.673   9.173
  447    HB   VAL  58           HB       VAL  58   0.918  -0.517  10.837
  448   1HG1  VAL  58          1HG1      VAL  58   0.483  -2.425   9.068
  449   2HG1  VAL  58          2HG1      VAL  58   0.424  -2.743  10.802
  450   3HG1  VAL  58          3HG1      VAL  58   1.865  -3.164   9.877
  451   1HG2  VAL  58          1HG2      VAL  58   2.764  -1.826  11.910
  452   2HG2  VAL  58          2HG2      VAL  58   3.210  -0.195  11.409
  453   3HG2  VAL  58          3HG2      VAL  58   3.707  -1.582  10.440
  454    H    VAL  59           H        VAL  59   4.132   0.525   8.097
  455    HA   VAL  59           HA       VAL  59   4.552  -1.299   6.008
  456    HB   VAL  59           HB       VAL  59   6.699   0.274   7.415
  457   1HG1  VAL  59          1HG1      VAL  59   7.133   0.084   4.642
  458   2HG1  VAL  59          2HG1      VAL  59   6.697  -1.534   5.182
  459   3HG1  VAL  59          3HG1      VAL  59   8.053  -0.695   5.931
  460   1HG2  VAL  59          1HG2      VAL  59   4.530   1.080   5.573
  461   2HG2  VAL  59          2HG2      VAL  59   6.133   1.741   5.251
  462   3HG2  VAL  59          3HG2      VAL  59   5.367   2.009   6.816
  463    H    LEU  60           H        LEU  60   5.892  -2.983   5.728
  464    HA   LEU  60           HA       LEU  60   6.696  -4.449   8.105
  465   1HB   LEU  60          2HB       LEU  60   5.337  -5.138   5.631
  466   2HB   LEU  60          1HB       LEU  60   6.739  -6.148   5.894
  467    HG   LEU  60           HG       LEU  60   5.813  -7.202   7.713
  468   1HD1  LEU  60          1HD1      LEU  60   3.803  -6.161   8.944
  469   2HD1  LEU  60          2HD1      LEU  60   4.300  -4.660   8.164
  470   3HD1  LEU  60          3HD1      LEU  60   5.411  -5.502   9.244
  471   1HD2  LEU  60          1HD2      LEU  60   3.378  -6.316   6.172
  472   2HD2  LEU  60          2HD2      LEU  60   3.488  -7.731   7.221
  473   3HD2  LEU  60          3HD2      LEU  60   4.441  -7.656   5.738
  474    H    SER  61           H        SER  61   8.609  -5.785   7.761
  475    HA   SER  61           HA       SER  61  10.539  -4.793   5.816
  476   1HB   SER  61          2HB       SER  61  10.599  -3.720   8.298
  477   2HB   SER  61          1HB       SER  61  11.628  -5.130   8.551
  478    HG   SER  61           HG       SER  61  12.319  -2.858   7.469
  Start of MODEL    7
    1   1H    GLY   1          1HT       GLY   1  15.838  -8.939   3.001
    2   2H    GLY   1          2HT       GLY   1  15.067 -10.411   3.313
    3   3H    GLY   1          3HT       GLY   1  14.149  -9.015   3.053
    4   1HA   GLY   1          1HA       GLY   1  15.991  -9.910   0.953
    5   2HA   GLY   1          2HA       GLY   1  14.464 -10.756   1.156
    6    H    SER   2           H        SER   2  12.585  -9.032   1.549
    7    HA   SER   2           HA       SER   2  12.892  -6.872  -0.425
    8   1HB   SER   2          2HB       SER   2  11.457  -9.197  -0.914
    9   2HB   SER   2          1HB       SER   2  10.212  -8.048  -0.412
   10    HG   SER   2           HG       SER   2  10.456  -7.041  -2.236
   11    H    HIS   3           H        HIS   3  11.638  -5.033  -0.073
   12    HA   HIS   3           HA       HIS   3  10.801  -4.657   2.671
   13   1HB   HIS   3          2HB       HIS   3  10.136  -2.490   0.815
   14   2HB   HIS   3          1HB       HIS   3  11.076  -2.445   2.299
   15    HD1  HIS   3           1HD      HIS   3  13.643  -2.739   2.090
   16    HD2  HIS   3           2HD      HIS   3  11.621  -2.731  -1.541
   17    HE1  HIS   3           1HE      HIS   3  15.420  -2.464   0.332
   18    HE2  HIS   3           2HE      HIS   3  14.182  -2.553  -1.860
   19    H    VAL   4           H        VAL   4   8.802  -5.037   3.374
   20    HA   VAL   4           HA       VAL   4   6.615  -4.938   1.402
   21    HB   VAL   4           HB       VAL   4   6.038  -6.723   3.609
   22   1HG1  VAL   4          1HG1      VAL   4   4.728  -6.706   1.599
   23   2HG1  VAL   4          2HG1      VAL   4   5.543  -8.266   1.711
   24   3HG1  VAL   4          3HG1      VAL   4   6.153  -7.030   0.612
   25   1HG2  VAL   4          1HG2      VAL   4   7.566  -8.550   2.808
   26   2HG2  VAL   4          2HG2      VAL   4   8.350  -7.251   3.707
   27   3HG2  VAL   4          3HG2      VAL   4   8.477  -7.309   1.949
   28    H    VAL   5           H        VAL   5   4.441  -4.754   2.495
   29    HA   VAL   5           HA       VAL   5   4.612  -3.175   4.945
   30    HB   VAL   5           HB       VAL   5   4.307  -1.329   3.752
   31   1HG1  VAL   5          1HG1      VAL   5   4.643  -1.563   1.603
   32   2HG1  VAL   5          2HG1      VAL   5   2.900  -1.732   1.418
   33   3HG1  VAL   5          3HG1      VAL   5   3.913  -3.162   1.578
   34   1HG2  VAL   5          1HG2      VAL   5   2.002  -0.685   3.289
   35   2HG2  VAL   5          2HG2      VAL   5   2.146  -1.513   4.840
   36   3HG2  VAL   5          3HG2      VAL   5   1.503  -2.369   3.439
   37    H    GLN   6           H        GLN   6   2.638  -2.935   6.100
   38    HA   GLN   6           HA       GLN   6   0.767  -5.159   5.606
   39   1HB   GLN   6          2HB       GLN   6   2.486  -5.129   7.661
   40   2HB   GLN   6          1HB       GLN   6   1.197  -4.170   8.377
   41   1HG   GLN   6          2HG       GLN   6  -0.351  -5.918   8.231
   42   2HG   GLN   6          1HG       GLN   6   0.660  -6.829   7.112
   43   1HE2  GLN   6          1HE2      GLN   6   0.087  -8.488   8.796
   44   2HE2  GLN   6          2HE2      GLN   6   1.173  -8.655  10.129
   45    H    THR   7           H        THR   7  -1.408  -4.721   5.772
   46    HA   THR   7           HA       THR   7  -2.072  -1.904   6.345
   47    HB   THR   7           HB       THR   7  -4.257  -2.794   5.033
   48    HG1  THR   7           1HG      THR   7  -2.059  -4.082   3.783
   49   1HG2  THR   7          1HG2      THR   7  -3.616  -1.517   3.219
   50   2HG2  THR   7          2HG2      THR   7  -1.909  -1.920   3.405
   51   3HG2  THR   7          3HG2      THR   7  -2.685  -0.818   4.542
   52    H    LEU   8           H        LEU   8  -4.091  -1.448   7.320
   53    HA   LEU   8           HA       LEU   8  -5.236  -3.647   8.876
   54   1HB   LEU   8          2HB       LEU   8  -5.495  -1.462  10.523
   55   2HB   LEU   8          1HB       LEU   8  -4.375  -2.785  10.734
   56    HG   LEU   8           HG       LEU   8  -3.253  -0.659  11.011
   57   1HD1  LEU   8          1HD1      LEU   8  -2.136  -1.411   8.407
   58   2HD1  LEU   8          2HD1      LEU   8  -2.326  -2.732   9.560
   59   3HD1  LEU   8          3HD1      LEU   8  -1.370  -1.314   9.993
   60   1HD2  LEU   8          1HD2      LEU   8  -3.262   1.070   9.509
   61   2HD2  LEU   8          2HD2      LEU   8  -4.906   0.454   9.345
   62   3HD2  LEU   8          3HD2      LEU   8  -3.681   0.027   8.154
   63    H    TYR   9           H        TYR   9  -5.637  -0.367   7.612
   64    HA   TYR   9           HA       TYR   9  -8.528  -0.524   7.983
   65   1HB   TYR   9          2HB       TYR   9  -6.579   1.662   7.446
   66   2HB   TYR   9          1HB       TYR   9  -8.217   1.871   6.834
   67    HD1  TYR   9           1HD      TYR   9  -6.294   2.955   9.335
   68    HD2  TYR   9           2HD      TYR   9  -9.933   0.804   8.857
   69    HE1  TYR   9           1HE      TYR   9  -7.024   3.706  11.560
   70    HE2  TYR   9           2HE      TYR   9 -10.673   1.550  11.080
   71    HH   TYR   9           HH       TYR   9  -8.843   2.590  13.375
   72    HA   PRO  10           HA       PRO  10  -9.763  -1.537   3.888
   73   1HB   PRO  10          2HB       PRO  10 -11.194   1.068   3.716
   74   2HB   PRO  10          1HB       PRO  10 -11.804  -0.570   3.463
   75   1HG   PRO  10          2HG       PRO  10 -12.386   0.759   5.692
   76   2HG   PRO  10          1HG       PRO  10 -12.032  -0.978   5.737
   77   1HD   PRO  10          2HD       PRO  10 -10.305   1.330   6.522
   78   2HD   PRO  10          1HD       PRO  10 -10.458  -0.272   7.271
   79    H    PHE  11           H        PHE  11 -10.265  -0.105   1.661
   80    HA   PHE  11           HA       PHE  11  -7.650   1.098   1.076
   81   1HB   PHE  11          2HB       PHE  11  -8.199   0.628  -1.290
   82   2HB   PHE  11          1HB       PHE  11  -8.224  -0.826  -0.299
   83    HD1  PHE  11           1HD      PHE  11 -10.207   1.500  -2.276
   84    HD2  PHE  11           2HD      PHE  11 -10.325  -1.933   0.236
   85    HE1  PHE  11           1HE      PHE  11 -12.491   1.016  -3.052
   86    HE2  PHE  11           2HE      PHE  11 -12.609  -2.423  -0.536
   87    HZ   PHE  11           HZ       PHE  11 -13.695  -0.948  -2.181
   88    H    SER  12           H        SER  12  -7.464   3.192   0.583
   89    HA   SER  12           HA       SER  12  -9.883   4.671  -0.201
   90   1HB   SER  12          2HB       SER  12  -9.266   5.055   2.216
   91   2HB   SER  12          1HB       SER  12  -7.758   5.772   1.649
   92    HG   SER  12           HG       SER  12  -8.834   7.539   1.357
   93    H    SER  13           H        SER  13  -9.618   5.539  -2.141
   94    HA   SER  13           HA       SER  13  -7.070   6.795  -2.815
   95   1HB   SER  13          2HB       SER  13  -7.947   4.288  -3.920
   96   2HB   SER  13          1HB       SER  13  -7.896   5.508  -5.193
   97    HG   SER  13           HG       SER  13  -5.851   4.295  -3.863
   98    H    VAL  14           H        VAL  14  -7.503   8.790  -3.451
   99    HA   VAL  14           HA       VAL  14  -9.734   9.283  -5.259
  100    HB   VAL  14           HB       VAL  14 -10.697   9.673  -3.061
  101   1HG1  VAL  14          1HG1      VAL  14  -9.069  10.193  -1.566
  102   2HG1  VAL  14          2HG1      VAL  14  -9.676  11.814  -1.903
  103   3HG1  VAL  14          3HG1      VAL  14  -8.209  11.239  -2.695
  104   1HG2  VAL  14          1HG2      VAL  14 -11.013  11.245  -5.158
  105   2HG2  VAL  14          2HG2      VAL  14 -10.274  12.434  -4.086
  106   3HG2  VAL  14          3HG2      VAL  14 -11.764  11.622  -3.607
  107    H    THR  15           H        THR  15  -7.302   9.284  -6.220
  108    HA   THR  15           HA       THR  15  -6.786  12.087  -6.785
  109    HB   THR  15           HB       THR  15  -4.421  10.379  -6.090
  110    HG1  THR  15           1HG      THR  15  -5.718  10.360  -4.241
  111   1HG2  THR  15          1HG2      THR  15  -3.644  12.325  -7.027
  112   2HG2  THR  15          2HG2      THR  15  -3.647  12.725  -5.309
  113   3HG2  THR  15          3HG2      THR  15  -4.949  13.300  -6.350
  114    H    GLU  16           H        GLU  16  -4.973  12.228  -8.512
  115    HA   GLU  16           HA       GLU  16  -5.774  10.548 -10.683
  116   1HB   GLU  16          2HB       GLU  16  -5.283  12.549 -11.608
  117   2HB   GLU  16          1HB       GLU  16  -4.189  12.990 -10.308
  118   1HG   GLU  16          2HG       GLU  16  -3.017  12.903 -12.417
  119   2HG   GLU  16          1HG       GLU  16  -2.429  11.644 -11.331
  120    H    GLU  17           H        GLU  17  -3.010  10.736  -8.534
  121    HA   GLU  17           HA       GLU  17  -1.676   8.576  -9.996
  122   1HB   GLU  17          2HB       GLU  17   0.192   9.048  -8.317
  123   2HB   GLU  17          1HB       GLU  17  -0.140  10.291  -9.515
  124   1HG   GLU  17          2HG       GLU  17  -1.403  11.560  -7.873
  125   2HG   GLU  17          1HG       GLU  17  -1.121  10.305  -6.670
  126    H    GLU  18           H        GLU  18  -4.107   8.179  -8.417
  127    HA   GLU  18           HA       GLU  18  -3.054   6.239  -6.457
  128   1HB   GLU  18          2HB       GLU  18  -5.017   8.364  -6.148
  129   2HB   GLU  18          1HB       GLU  18  -5.664   6.805  -5.674
  130   1HG   GLU  18          2HG       GLU  18  -4.682   7.081  -3.718
  131   2HG   GLU  18          1HG       GLU  18  -3.134   6.899  -4.539
  132    H    LEU  19           H        LEU  19  -5.388   4.905  -5.882
  133    HA   LEU  19           HA       LEU  19  -7.117   4.295  -7.957
  134   1HB   LEU  19          2HB       LEU  19  -6.306   2.463  -9.085
  135   2HB   LEU  19          1HB       LEU  19  -4.868   3.443  -8.916
  136    HG   LEU  19           HG       LEU  19  -4.072   1.343  -8.445
  137   1HD1  LEU  19          1HD1      LEU  19  -4.053   3.099  -6.419
  138   2HD1  LEU  19          2HD1      LEU  19  -3.212   1.553  -6.413
  139   3HD1  LEU  19          3HD1      LEU  19  -4.781   1.700  -5.635
  140   1HD2  LEU  19          1HD2      LEU  19  -6.214   0.506  -6.566
  141   2HD2  LEU  19          2HD2      LEU  19  -5.233  -0.454  -7.670
  142   3HD2  LEU  19          3HD2      LEU  19  -6.578   0.497  -8.291
  143    H    ASN  20           H        ASN  20  -8.634   2.687  -7.399
  144    HA   ASN  20           HA       ASN  20  -8.516   2.006  -4.553
  145   1HB   ASN  20          2HB       ASN  20 -11.015   1.532  -4.926
  146   2HB   ASN  20          1HB       ASN  20 -10.480   3.209  -4.970
  147   1HD2  ASN  20          1HD2      ASN  20 -12.040   0.712  -6.634
  148   2HD2  ASN  20          2HD2      ASN  20 -12.261   1.525  -8.143
  149    H    PHE  21           H        PHE  21  -7.944   0.053  -4.007
  150    HA   PHE  21           HA       PHE  21  -8.887  -2.224  -5.599
  151   1HB   PHE  21          2HB       PHE  21  -6.604  -3.309  -4.892
  152   2HB   PHE  21          1HB       PHE  21  -6.694  -2.289  -6.321
  153    HD1  PHE  21           1HD      PHE  21  -4.422  -1.671  -6.393
  154    HD2  PHE  21           2HD      PHE  21  -6.686  -1.003  -2.860
  155    HE1  PHE  21           1HE      PHE  21  -2.610  -0.265  -5.503
  156    HE2  PHE  21           2HE      PHE  21  -4.884   0.403  -1.959
  157    HZ   PHE  21           HZ       PHE  21  -2.840   0.776  -3.283
  158    H    GLU  22           H        GLU  22  -8.819  -4.297  -4.348
  159    HA   GLU  22           HA       GLU  22  -9.903  -3.838  -1.728
  160   1HB   GLU  22          2HB       GLU  22 -10.206  -6.275  -1.664
  161   2HB   GLU  22          1HB       GLU  22 -10.818  -5.592  -3.166
  162   1HG   GLU  22          2HG       GLU  22  -9.477  -6.873  -4.368
  163   2HG   GLU  22          1HG       GLU  22  -8.069  -6.315  -3.463
  164    H    LYS  23           H        LYS  23  -8.378  -3.115  -0.352
  165    HA   LYS  23           HA       LYS  23  -5.751  -4.205  -0.174
  166   1HB   LYS  23          2HB       LYS  23  -7.150  -1.955   0.876
  167   2HB   LYS  23          1HB       LYS  23  -6.425  -2.821   2.220
  168   1HG   LYS  23          2HG       LYS  23  -5.029  -1.691  -0.192
  169   2HG   LYS  23          1HG       LYS  23  -4.889  -1.156   1.483
  170   1HD   LYS  23          2HD       LYS  23  -3.067  -2.463   1.545
  171   2HD   LYS  23          1HD       LYS  23  -4.208  -3.802   1.670
  172   1HE   LYS  23          2HE       LYS  23  -4.026  -3.222  -1.061
  173   2HE   LYS  23          1HE       LYS  23  -2.375  -3.142  -0.452
  174   1HZ   LYS  23          1HZ       LYS  23  -4.222  -5.427  -0.511
  175   2HZ   LYS  23          2HZ       LYS  23  -3.027  -5.366   0.685
  176   3HZ   LYS  23          3HZ       LYS  23  -2.591  -5.357  -0.949
  177    H    GLY  24           H        GLY  24  -4.882  -5.575   1.338
  178   1HA   GLY  24          2HA       GLY  24  -6.843  -7.048   2.980
  179   2HA   GLY  24          1HA       GLY  24  -5.401  -7.770   2.275
  180    H    GLU  25           H        GLU  25  -4.465  -8.455   4.158
  181    HA   GLU  25           HA       GLU  25  -3.980  -6.518   6.265
  182   1HB   GLU  25          2HB       GLU  25  -4.621  -9.190   6.338
  183   2HB   GLU  25          1HB       GLU  25  -2.886  -9.204   6.637
  184   1HG   GLU  25          2HG       GLU  25  -3.074  -8.052   8.604
  185   2HG   GLU  25          1HG       GLU  25  -4.603  -7.308   8.140
  186    H    THR  26           H        THR  26  -2.444  -7.882   3.604
  187    HA   THR  26           HA       THR  26   0.114  -6.735   4.463
  188    HB   THR  26           HB       THR  26   1.043  -8.777   3.012
  189    HG1  THR  26           1HG      THR  26  -0.767  -9.899   2.629
  190   1HG2  THR  26          1HG2      THR  26   1.874  -8.398   5.199
  191   2HG2  THR  26          2HG2      THR  26   1.328 -10.073   5.126
  192   3HG2  THR  26          3HG2      THR  26   0.336  -8.856   5.929
  193    H    MET  27           H        MET  27   1.117  -5.549   3.012
  194    HA   MET  27           HA       MET  27   0.489  -5.805   0.168
  195   1HB   MET  27          2HB       MET  27  -0.945  -4.002   1.114
  196   2HB   MET  27          1HB       MET  27   0.507  -3.156   1.630
  197   1HG   MET  27          2HG       MET  27  -0.444  -2.262  -0.447
  198   2HG   MET  27          1HG       MET  27   1.201  -2.860  -0.652
  199   1HE   MET  27          1HE       MET  27  -2.019  -3.533  -3.405
  200   2HE   MET  27          2HE       MET  27  -0.562  -2.546  -3.512
  201   3HE   MET  27          3HE       MET  27  -1.716  -2.275  -2.208
  202    H    GLU  28           H        GLU  28   2.118  -4.560  -1.168
  203    HA   GLU  28           HA       GLU  28   4.708  -4.407   0.247
  204   1HB   GLU  28          2HB       GLU  28   5.674  -5.151  -2.028
  205   2HB   GLU  28          1HB       GLU  28   4.925  -6.358  -1.000
  206   1HG   GLU  28          2HG       GLU  28   3.057  -5.121  -2.851
  207   2HG   GLU  28          1HG       GLU  28   4.390  -5.953  -3.651
  208    H    VAL  29           H        VAL  29   5.392  -2.406   0.240
  209    HA   VAL  29           HA       VAL  29   4.575  -0.578  -1.877
  210    HB   VAL  29           HB       VAL  29   5.735  -0.164   0.868
  211   1HG1  VAL  29          1HG1      VAL  29   5.483   1.856  -1.347
  212   2HG1  VAL  29          2HG1      VAL  29   6.914   1.450  -0.397
  213   3HG1  VAL  29          3HG1      VAL  29   5.567   2.301   0.359
  214   1HG2  VAL  29          1HG2      VAL  29   3.166  -0.403  -0.005
  215   2HG2  VAL  29          2HG2      VAL  29   3.391   1.345  -0.008
  216   3HG2  VAL  29          3HG2      VAL  29   3.665   0.423   1.471
  217    H    ILE  30           H        ILE  30   5.923   0.382  -3.262
  218    HA   ILE  30           HA       ILE  30   8.594  -0.722  -3.520
  219    HB   ILE  30           HB       ILE  30   8.492   1.021  -5.568
  220   1HG1  ILE  30          2HG1      ILE  30   6.060   1.548  -4.652
  221   2HG1  ILE  30          1HG1      ILE  30   6.390   1.499  -6.372
  222   1HG2  ILE  30          1HG2      ILE  30   7.557  -0.913  -6.913
  223   2HG2  ILE  30          2HG2      ILE  30   7.401  -1.767  -5.378
  224   3HG2  ILE  30          3HG2      ILE  30   8.988  -1.238  -5.936
  225   1HD1  ILE  30          1HD1      ILE  30   4.336   0.348  -5.882
  226   2HD1  ILE  30          2HD1      ILE  30   5.165  -0.701  -4.737
  227   3HD1  ILE  30          3HD1      ILE  30   5.542  -0.799  -6.456
  228    H    GLU  31           H        GLU  31   7.563   2.621  -4.141
  229    HA   GLU  31           HA       GLU  31  10.052   3.682  -3.285
  230   1HB   GLU  31          2HB       GLU  31   8.477   4.715  -4.973
  231   2HB   GLU  31          1HB       GLU  31   7.465   5.202  -3.621
  232   1HG   GLU  31          2HG       GLU  31  10.242   5.981  -3.277
  233   2HG   GLU  31          1HG       GLU  31   9.516   6.657  -4.734
  234    H    LYS  32           H        LYS  32  10.727   4.015  -1.281
  235    HA   LYS  32           HA       LYS  32   8.744   4.134   0.875
  236   1HB   LYS  32          2HB       LYS  32  11.424   3.014   0.615
  237   2HB   LYS  32          1HB       LYS  32  11.245   3.991   2.063
  238   1HG   LYS  32          2HG       LYS  32  10.768   1.568   2.376
  239   2HG   LYS  32          1HG       LYS  32   9.453   2.642   2.854
  240   1HD   LYS  32          2HD       LYS  32   8.279   1.075   1.668
  241   2HD   LYS  32          1HD       LYS  32   8.657   2.211   0.374
  242   1HE   LYS  32          2HE       LYS  32   9.903  -0.446   0.979
  243   2HE   LYS  32          1HE       LYS  32   9.186   0.126  -0.526
  244   1HZ   LYS  32          1HZ       LYS  32  11.582   0.060  -0.691
  245   2HZ   LYS  32          2HZ       LYS  32  11.742   1.071   0.655
  246   3HZ   LYS  32          3HZ       LYS  32  11.047   1.665  -0.769
  247    HA   PRO  33           HA       PRO  33   9.616   8.406   1.580
  248   1HB   PRO  33          2HB       PRO  33   8.944   8.151   4.390
  249   2HB   PRO  33          1HB       PRO  33   7.995   8.865   3.088
  250   1HG   PRO  33          2HG       PRO  33   7.304   6.554   4.358
  251   2HG   PRO  33          1HG       PRO  33   6.851   6.924   2.685
  252   1HD   PRO  33          2HD       PRO  33   9.065   5.186   3.709
  253   2HD   PRO  33          1HD       PRO  33   7.956   4.918   2.347
  254    H    GLU  34           H        GLU  34  11.999   7.161   1.513
  255    HA   GLU  34           HA       GLU  34  13.390   7.560   4.030
  256   1HB   GLU  34          2HB       GLU  34  15.383   6.770   2.704
  257   2HB   GLU  34          1HB       GLU  34  14.061   5.618   2.832
  258   1HG   GLU  34          2HG       GLU  34  13.447   5.879   0.614
  259   2HG   GLU  34          1HG       GLU  34  14.265   7.433   0.468
  260    H    ASN  35           H        ASN  35  13.149   9.037   0.853
  261    HA   ASN  35           HA       ASN  35  14.932  11.194   1.771
  262   1HB   ASN  35          2HB       ASN  35  14.858   9.705  -0.679
  263   2HB   ASN  35          1HB       ASN  35  14.523  11.398  -1.028
  264   1HD2  ASN  35          1HD2      ASN  35  16.589  11.180  -2.180
  265   2HD2  ASN  35          2HD2      ASN  35  18.051  11.444  -1.297
  266    H    ASP  36           H        ASP  36  11.861  10.442   0.223
  267    HA   ASP  36           HA       ASP  36  11.041  13.237   0.673
  268   1HB   ASP  36          2HB       ASP  36  11.186  11.920  -1.781
  269   2HB   ASP  36          1HB       ASP  36   9.474  11.884  -1.367
  270    HA   PRO  37           HA       PRO  37   8.159  10.818   3.233
  271   1HB   PRO  37          2HB       PRO  37   7.722  13.313   4.665
  272   2HB   PRO  37          1HB       PRO  37   8.446  11.814   5.247
  273   1HG   PRO  37          2HG       PRO  37   9.863  14.105   4.883
  274   2HG   PRO  37          1HG       PRO  37  10.574  12.488   4.728
  275   1HD   PRO  37          2HD       PRO  37   9.649  14.367   2.585
  276   2HD   PRO  37          1HD       PRO  37  11.102  13.345   2.638
  277    H    GLU  38           H        GLU  38   7.146  11.364   0.854
  278    HA   GLU  38           HA       GLU  38   4.868  13.162   1.246
  279   1HB   GLU  38          2HB       GLU  38   4.623  12.597  -1.329
  280   2HB   GLU  38          1HB       GLU  38   5.739  13.824  -0.754
  281   1HG   GLU  38          2HG       GLU  38   7.583  12.590  -1.250
  282   2HG   GLU  38          1HG       GLU  38   6.754  11.052  -1.023
  283    H    TRP  39           H        TRP  39   4.935  10.417  -0.975
  284    HA   TRP  39           HA       TRP  39   3.117   8.884   0.689
  285   1HB   TRP  39          2HB       TRP  39   2.197   9.554  -2.091
  286   2HB   TRP  39          1HB       TRP  39   1.259   8.922  -0.745
  287    HD1  TRP  39           HD       TRP  39   0.586  10.723   1.206
  288    HE1  TRP  39           1HE      TRP  39   0.207  13.266   1.055
  289    HE3  TRP  39           3HE      TRP  39   2.933  11.632  -3.243
  290    HZ2  TRP  39           2HZ      TRP  39   0.823  15.376  -0.716
  291    HZ3  TRP  39           3HZ      TRP  39   2.993  13.940  -4.097
  292    HH2  TRP  39           HH       TRP  39   1.959  15.772  -2.859
  293    H    TRP  40           H        TRP  40   2.828   6.708  -0.045
  294    HA   TRP  40           HA       TRP  40   4.808   5.927  -2.075
  295   1HB   TRP  40          2HB       TRP  40   5.020   3.771  -0.903
  296   2HB   TRP  40          1HB       TRP  40   5.491   5.131   0.103
  297    HD1  TRP  40           HD       TRP  40   1.974   3.551  -0.418
  298    HE1  TRP  40           1HE      TRP  40   1.039   2.931   1.903
  299    HE3  TRP  40           3HE      TRP  40   5.966   4.926   2.440
  300    HZ2  TRP  40           2HZ      TRP  40   1.913   3.011   4.594
  301    HZ3  TRP  40           3HZ      TRP  40   5.846   4.625   4.876
  302    HH2  TRP  40           HH       TRP  40   3.855   3.687   5.931
  303    H    LYS  41           H        LYS  41   4.287   3.661  -2.979
  304    HA   LYS  41           HA       LYS  41   1.450   3.244  -3.381
  305   1HB   LYS  41          2HB       LYS  41   1.891   3.039  -5.891
  306   2HB   LYS  41          1HB       LYS  41   1.742   4.652  -5.209
  307   1HG   LYS  41          2HG       LYS  41   3.552   4.832  -6.602
  308   2HG   LYS  41          1HG       LYS  41   4.306   4.569  -5.039
  309   1HD   LYS  41          2HD       LYS  41   5.485   3.078  -6.307
  310   2HD   LYS  41          1HD       LYS  41   4.151   2.061  -5.793
  311   1HE   LYS  41          2HE       LYS  41   4.963   2.739  -8.435
  312   2HE   LYS  41          1HE       LYS  41   3.713   1.610  -7.910
  313   1HZ   LYS  41          1HZ       LYS  41   3.419   4.498  -8.527
  314   2HZ   LYS  41          2HZ       LYS  41   2.225   3.616  -7.717
  315   3HZ   LYS  41          3HZ       LYS  41   2.669   3.188  -9.290
  316    H    CYS  42           H        CYS  42   0.871   1.157  -3.783
  317    HA   CYS  42           HA       CYS  42   3.049  -0.772  -4.134
  318   1HB   CYS  42          2HB       CYS  42   1.207  -2.136  -2.572
  319   2HB   CYS  42          1HB       CYS  42   2.725  -1.459  -2.002
  320    HG   CYS  42           HG       CYS  42   1.164  -0.354  -0.424
  321    H    LYS  43           H        LYS  43   2.342  -2.851  -5.001
  322    HA   LYS  43           HA       LYS  43   0.163  -2.484  -6.903
  323   1HB   LYS  43          2HB       LYS  43   1.061  -4.674  -7.837
  324   2HB   LYS  43          1HB       LYS  43   2.126  -3.278  -7.936
  325   1HG   LYS  43          2HG       LYS  43   2.435  -4.906  -5.512
  326   2HG   LYS  43          1HG       LYS  43   2.867  -5.710  -7.021
  327   1HD   LYS  43          2HD       LYS  43   4.058  -3.304  -7.371
  328   2HD   LYS  43          1HD       LYS  43   4.177  -3.477  -5.619
  329   1HE   LYS  43          2HE       LYS  43   5.668  -5.158  -5.759
  330   2HE   LYS  43          1HE       LYS  43   4.874  -5.882  -7.157
  331   1HZ   LYS  43          1HZ       LYS  43   5.857  -3.719  -8.290
  332   2HZ   LYS  43          2HZ       LYS  43   6.753  -5.148  -8.152
  333   3HZ   LYS  43          3HZ       LYS  43   6.999  -3.886  -7.052
  334    H    ASN  44           H        ASN  44  -1.600  -3.754  -7.103
  335    HA   ASN  44           HA       ASN  44  -2.109  -5.630  -4.887
  336   1HB   ASN  44          2HB       ASN  44  -3.392  -3.318  -5.086
  337   2HB   ASN  44          1HB       ASN  44  -4.371  -4.232  -6.229
  338   1HD2  ASN  44          1HD2      ASN  44  -5.861  -5.608  -5.476
  339   2HD2  ASN  44          2HD2      ASN  44  -6.115  -5.971  -3.807
  340    H    ALA  45           H        ALA  45  -4.081  -7.048  -5.480
  341    HA   ALA  45           HA       ALA  45  -3.277  -8.646  -7.629
  342   1HB   ALA  45          1HB       ALA  45  -6.053  -9.031  -6.836
  343   2HB   ALA  45          2HB       ALA  45  -4.944  -8.949  -5.467
  344   3HB   ALA  45          3HB       ALA  45  -4.684 -10.139  -6.742
  345    H    ARG  46           H        ARG  46  -5.029  -5.770  -7.641
  346    HA   ARG  46           HA       ARG  46  -6.624  -6.354  -9.982
  347   1HB   ARG  46          2HB       ARG  46  -6.043  -3.643  -8.793
  348   2HB   ARG  46          1HB       ARG  46  -7.404  -4.093  -9.805
  349   1HG   ARG  46          2HG       ARG  46  -6.903  -4.758  -6.926
  350   2HG   ARG  46          1HG       ARG  46  -8.264  -3.895  -7.639
  351   1HD   ARG  46          2HD       ARG  46  -9.388  -5.808  -7.707
  352   2HD   ARG  46          1HD       ARG  46  -8.216  -6.417  -8.874
  353    HE   ARG  46           HE       ARG  46  -7.003  -6.865  -6.503
  354   1HH1  ARG  46          1HH1      ARG  46 -10.171  -7.645  -7.743
  355   2HH1  ARG  46          2HH1      ARG  46 -10.330  -9.078  -6.785
  356   1HH2  ARG  46          1HH2      ARG  46  -7.212  -8.751  -5.240
  357   2HH2  ARG  46          2HH2      ARG  46  -8.651  -9.708  -5.364
  358    H    GLY  47           H        GLY  47  -3.411  -5.927  -9.536
  359   1HA   GLY  47          2HA       GLY  47  -1.694  -5.512 -11.003
  360   2HA   GLY  47          1HA       GLY  47  -2.897  -5.376 -12.278
  361    H    GLN  48           H        GLN  48  -3.671  -3.322  -9.749
  362    HA   GLN  48           HA       GLN  48  -2.362  -1.056 -11.084
  363   1HB   GLN  48          2HB       GLN  48  -4.424   0.174  -9.979
  364   2HB   GLN  48          1HB       GLN  48  -4.530  -0.584 -11.555
  365   1HG   GLN  48          2HG       GLN  48  -5.517  -2.572 -10.536
  366   2HG   GLN  48          1HG       GLN  48  -5.430  -1.792  -8.958
  367   1HE2  GLN  48          1HE2      GLN  48  -7.734  -2.150  -8.893
  368   2HE2  GLN  48          2HE2      GLN  48  -8.794  -1.036  -9.678
  369    H    VAL  49           H        VAL  49  -0.834  -0.206  -9.903
  370    HA   VAL  49           HA       VAL  49  -1.170  -0.212  -6.984
  371    HB   VAL  49           HB       VAL  49   0.909  -1.140  -7.186
  372   1HG1  VAL  49          1HG1      VAL  49   2.538  -0.603  -8.923
  373   2HG1  VAL  49          2HG1      VAL  49   1.349   0.483  -9.644
  374   3HG1  VAL  49          3HG1      VAL  49   1.017  -1.246  -9.542
  375   1HG2  VAL  49          1HG2      VAL  49   2.567   0.417  -6.590
  376   2HG2  VAL  49          2HG2      VAL  49   1.045   1.100  -6.023
  377   3HG2  VAL  49          3HG2      VAL  49   1.785   1.705  -7.503
  378    H    GLY  50           H        GLY  50  -1.400   1.636  -5.956
  379   1HA   GLY  50          2HA       GLY  50  -0.760   4.119  -7.368
  380   2HA   GLY  50          1HA       GLY  50  -2.385   3.885  -6.743
  381    H    LEU  51           H        LEU  51  -1.677   5.909  -5.660
  382    HA   LEU  51           HA       LEU  51   0.166   5.635  -3.495
  383   1HB   LEU  51          2HB       LEU  51  -1.443   7.766  -4.730
  384   2HB   LEU  51          1HB       LEU  51  -1.076   7.976  -3.033
  385    HG   LEU  51           HG       LEU  51   1.172   8.249  -3.410
  386   1HD1  LEU  51          1HD1      LEU  51   2.105   7.524  -5.777
  387   2HD1  LEU  51          2HD1      LEU  51   0.767   6.383  -5.664
  388   3HD1  LEU  51          3HD1      LEU  51   2.013   6.406  -4.417
  389   1HD2  LEU  51          1HD2      LEU  51   1.328   9.975  -4.858
  390   2HD2  LEU  51          2HD2      LEU  51  -0.428   9.802  -4.859
  391   3HD2  LEU  51          3HD2      LEU  51   0.529   9.091  -6.159
  392    H    VAL  52           H        VAL  52  -0.373   4.426  -1.841
  393    HA   VAL  52           HA       VAL  52  -3.124   4.323  -0.886
  394    HB   VAL  52           HB       VAL  52  -2.141   2.174  -1.030
  395   1HG1  VAL  52          1HG1      VAL  52   0.235   3.502   0.164
  396   2HG1  VAL  52          2HG1      VAL  52   0.125   2.485  -1.271
  397   3HG1  VAL  52          3HG1      VAL  52   0.035   1.761   0.336
  398   1HG2  VAL  52          1HG2      VAL  52  -2.333   3.206   1.771
  399   2HG2  VAL  52          2HG2      VAL  52  -1.702   1.584   1.500
  400   3HG2  VAL  52          3HG2      VAL  52  -3.316   2.004   0.936
  401    HA   PRO  53           HA       PRO  53  -2.644   7.148   2.515
  402   1HB   PRO  53          2HB       PRO  53  -4.199   5.884   4.349
  403   2HB   PRO  53          1HB       PRO  53  -4.891   6.722   2.950
  404   1HG   PRO  53          2HG       PRO  53  -4.125   3.811   3.177
  405   2HG   PRO  53          1HG       PRO  53  -5.733   4.485   2.767
  406   1HD   PRO  53          2HD       PRO  53  -4.189   3.756   0.804
  407   2HD   PRO  53          1HD       PRO  53  -4.891   5.389   0.720
  408    H    LYS  54           H        LYS  54  -0.374   6.616   2.842
  409    HA   LYS  54           HA       LYS  54   0.630   4.424   4.149
  410   1HB   LYS  54          2HB       LYS  54   2.487   5.976   4.870
  411   2HB   LYS  54          1HB       LYS  54   2.140   5.876   3.147
  412   1HG   LYS  54          2HG       LYS  54   2.037   8.069   3.155
  413   2HG   LYS  54          1HG       LYS  54   0.513   7.921   4.019
  414   1HD   LYS  54          2HD       LYS  54   1.613   8.121   6.135
  415   2HD   LYS  54          1HD       LYS  54   3.204   8.053   5.371
  416   1HE   LYS  54          2HE       LYS  54   1.622  10.161   4.215
  417   2HE   LYS  54          1HE       LYS  54   1.687  10.335   5.968
  418   1HZ   LYS  54          1HZ       LYS  54   3.517  11.433   4.637
  419   2HZ   LYS  54          2HZ       LYS  54   4.121   9.879   4.349
  420   3HZ   LYS  54          3HZ       LYS  54   4.009  10.462   5.933
  421    H    ASN  55           H        ASN  55  -1.147   7.063   5.476
  422    HA   ASN  55           HA       ASN  55  -0.343   6.569   8.205
  423   1HB   ASN  55          2HB       ASN  55  -1.366   8.754   6.924
  424   2HB   ASN  55          1HB       ASN  55  -2.794   8.124   7.738
  425   1HD2  ASN  55          1HD2      ASN  55  -2.149  10.479   8.569
  426   2HD2  ASN  55          2HD2      ASN  55  -1.323  10.461  10.086
  427    H    TYR  56           H        TYR  56  -2.384   5.047   6.072
  428    HA   TYR  56           HA       TYR  56  -4.195   4.125   8.203
  429   1HB   TYR  56          2HB       TYR  56  -4.496   3.990   5.195
  430   2HB   TYR  56          1HB       TYR  56  -5.639   3.315   6.347
  431    HD1  TYR  56           1HD      TYR  56  -6.683   5.093   4.393
  432    HD2  TYR  56           2HD      TYR  56  -4.773   6.056   8.069
  433    HE1  TYR  56           1HE      TYR  56  -7.891   7.233   4.452
  434    HE2  TYR  56           2HE      TYR  56  -5.977   8.200   8.142
  435    HH   TYR  56           HH       TYR  56  -8.003   9.208   7.224
  436    H    VAL  57           H        VAL  57  -1.369   3.260   7.466
  437    HA   VAL  57           HA       VAL  57  -1.923   0.401   7.588
  438    HB   VAL  57           HB       VAL  57  -0.918  -0.261   5.650
  439   1HG1  VAL  57          1HG1      VAL  57  -1.599   2.554   4.817
  440   2HG1  VAL  57          2HG1      VAL  57  -2.778   1.262   5.029
  441   3HG1  VAL  57          3HG1      VAL  57  -1.534   1.126   3.786
  442   1HG2  VAL  57          1HG2      VAL  57   1.277   0.427   5.860
  443   2HG2  VAL  57          2HG2      VAL  57   0.839   2.130   6.003
  444   3HG2  VAL  57          3HG2      VAL  57   0.753   1.327   4.434
  445    H    VAL  58           H        VAL  58   0.290  -0.798   7.647
  446    HA   VAL  58           HA       VAL  58   2.271   0.729   9.183
  447    HB   VAL  58           HB       VAL  58   0.990  -0.453  10.864
  448   1HG1  VAL  58          1HG1      VAL  58   0.114  -2.489  10.627
  449   2HG1  VAL  58          2HG1      VAL  58   1.629  -3.170  10.038
  450   3HG1  VAL  58          3HG1      VAL  58   0.543  -2.339   8.924
  451   1HG2  VAL  58          1HG2      VAL  58   2.736  -1.701  11.937
  452   2HG2  VAL  58          2HG2      VAL  58   3.466  -0.342  11.081
  453   3HG2  VAL  58          3HG2      VAL  58   3.555  -1.966  10.398
  454    H    VAL  59           H        VAL  59   4.073   0.634   8.013
  455    HA   VAL  59           HA       VAL  59   4.481  -1.204   5.934
  456    HB   VAL  59           HB       VAL  59   6.638   0.445   7.229
  457   1HG1  VAL  59          1HG1      VAL  59   7.314   0.335   4.665
  458   2HG1  VAL  59          2HG1      VAL  59   6.383  -1.159   4.738
  459   3HG1  VAL  59          3HG1      VAL  59   7.772  -0.936   5.800
  460   1HG2  VAL  59          1HG2      VAL  59   5.362   1.415   4.766
  461   2HG2  VAL  59          2HG2      VAL  59   5.891   2.302   6.195
  462   3HG2  VAL  59          3HG2      VAL  59   4.338   1.468   6.201
  463    H    LEU  60           H        LEU  60   5.900  -2.816   5.615
  464    HA   LEU  60           HA       LEU  60   6.785  -4.262   7.977
  465   1HB   LEU  60          2HB       LEU  60   5.375  -5.042   5.625
  466   2HB   LEU  60          1HB       LEU  60   6.935  -5.843   5.613
  467    HG   LEU  60           HG       LEU  60   6.493  -6.927   7.692
  468   1HD1  LEU  60          1HD1      LEU  60   5.401  -5.653   9.186
  469   2HD1  LEU  60          2HD1      LEU  60   3.967  -6.435   8.520
  470   3HD1  LEU  60          3HD1      LEU  60   4.445  -4.837   7.948
  471   1HD2  LEU  60          1HD2      LEU  60   5.177  -7.505   5.423
  472   2HD2  LEU  60          2HD2      LEU  60   3.810  -7.250   6.508
  473   3HD2  LEU  60          3HD2      LEU  60   5.033  -8.458   6.901
  474    H    SER  61           H        SER  61   8.775  -5.494   7.632
  475    HA   SER  61           HA       SER  61  10.645  -4.888   5.619
  476   1HB   SER  61          2HB       SER  61  12.245  -3.555   6.996
  477   2HB   SER  61          1HB       SER  61  10.748  -2.692   6.641
  478    HG   SER  61           HG       SER  61  10.023  -3.214   8.728
  Start of MODEL    8
    1   1H    GLY   1          1HT       GLY   1  14.732  -9.218   3.357
    2   2H    GLY   1          2HT       GLY   1  15.275  -7.667   2.956
    3   3H    GLY   1          3HT       GLY   1  16.374  -8.948   3.051
    4   1HA   GLY   1          1HA       GLY   1  16.129  -8.889   0.810
    5   2HA   GLY   1          2HA       GLY   1  14.829  -9.992   1.234
    6    H    SER   2           H        SER   2  12.735  -9.409   0.872
    7    HA   SER   2           HA       SER   2  12.338  -7.043  -0.769
    8   1HB   SER   2          2HB       SER   2  11.045  -9.621  -0.480
    9   2HB   SER   2          1HB       SER   2   9.855  -8.314  -0.405
   10    HG   SER   2           HG       SER   2  10.987  -9.315  -2.549
   11    H    HIS   3           H        HIS   3  11.488  -5.189  -0.063
   12    HA   HIS   3           HA       HIS   3  10.641  -4.992   2.696
   13   1HB   HIS   3          2HB       HIS   3  10.073  -2.540   1.749
   14   2HB   HIS   3          1HB       HIS   3  11.679  -3.016   2.272
   15    HD1  HIS   3           1HD      HIS   3  13.342  -2.101   0.694
   16    HD2  HIS   3           2HD      HIS   3   9.901  -3.366  -1.261
   17    HE1  HIS   3           1HE      HIS   3  13.773  -1.699  -1.751
   18    HE2  HIS   3           2HE      HIS   3  11.708  -2.545  -2.921
   19    H    VAL   4           H        VAL   4   8.627  -5.185   3.382
   20    HA   VAL   4           HA       VAL   4   6.465  -4.828   1.409
   21    HB   VAL   4           HB       VAL   4   5.801  -6.760   3.480
   22   1HG1  VAL   4          1HG1      VAL   4   5.908  -7.268   0.529
   23   2HG1  VAL   4          2HG1      VAL   4   4.693  -6.188   1.213
   24   3HG1  VAL   4          3HG1      VAL   4   4.761  -7.875   1.722
   25   1HG2  VAL   4          1HG2      VAL   4   8.056  -7.470   3.448
   26   2HG2  VAL   4          2HG2      VAL   4   8.151  -7.326   1.692
   27   3HG2  VAL   4          3HG2      VAL   4   7.171  -8.598   2.421
   28    H    VAL   5           H        VAL   5   4.297  -4.589   2.514
   29    HA   VAL   5           HA       VAL   5   4.588  -3.248   5.091
   30    HB   VAL   5           HB       VAL   5   4.377  -1.295   4.114
   31   1HG1  VAL   5          1HG1      VAL   5   4.785  -1.351   1.964
   32   2HG1  VAL   5          2HG1      VAL   5   3.042  -1.324   1.725
   33   3HG1  VAL   5          3HG1      VAL   5   3.903  -2.857   1.743
   34   1HG2  VAL   5          1HG2      VAL   5   2.071  -0.535   3.539
   35   2HG2  VAL   5          2HG2      VAL   5   2.245  -1.291   5.123
   36   3HG2  VAL   5          3HG2      VAL   5   1.538  -2.198   3.787
   37    H    GLN   6           H        GLN   6   2.851  -3.216   6.422
   38    HA   GLN   6           HA       GLN   6   0.844  -5.290   5.835
   39   1HB   GLN   6          2HB       GLN   6   2.435  -5.523   7.811
   40   2HB   GLN   6          1HB       GLN   6   1.579  -4.176   8.541
   41   1HG   GLN   6          2HG       GLN   6   0.164  -5.631   9.408
   42   2HG   GLN   6          1HG       GLN   6  -0.409  -5.963   7.777
   43   1HE2  GLN   6          1HE2      GLN   6   1.852  -7.226   6.758
   44   2HE2  GLN   6          2HE2      GLN   6   2.043  -8.747   7.554
   45    H    THR   7           H        THR   7  -1.364  -4.841   6.023
   46    HA   THR   7           HA       THR   7  -1.953  -1.992   6.506
   47    HB   THR   7           HB       THR   7  -4.106  -2.694   5.167
   48    HG1  THR   7           1HG      THR   7  -3.733  -4.792   4.751
   49   1HG2  THR   7          1HG2      THR   7  -2.821  -0.978   4.258
   50   2HG2  THR   7          2HG2      THR   7  -2.817  -2.221   3.007
   51   3HG2  THR   7          3HG2      THR   7  -1.413  -2.016   4.053
   52    H    LEU   8           H        LEU   8  -3.921  -1.423   7.452
   53    HA   LEU   8           HA       LEU   8  -5.217  -3.511   9.042
   54   1HB   LEU   8          2HB       LEU   8  -5.372  -1.286  10.638
   55   2HB   LEU   8          1HB       LEU   8  -4.312  -2.650  10.884
   56    HG   LEU   8           HG       LEU   8  -3.091  -0.582  11.129
   57   1HD1  LEU   8          1HD1      LEU   8  -2.013  -1.396   8.528
   58   2HD1  LEU   8          2HD1      LEU   8  -2.256  -2.702   9.690
   59   3HD1  LEU   8          3HD1      LEU   8  -1.242  -1.322  10.112
   60   1HD2  LEU   8          1HD2      LEU   8  -2.986   1.117   9.572
   61   2HD2  LEU   8          2HD2      LEU   8  -4.680   0.628   9.507
   62   3HD2  LEU   8          3HD2      LEU   8  -3.557   0.085   8.265
   63    H    TYR   9           H        TYR   9  -5.397  -0.252   7.675
   64    HA   TYR   9           HA       TYR   9  -8.332  -0.478   7.685
   65   1HB   TYR   9          2HB       TYR   9  -6.523   1.804   8.264
   66   2HB   TYR   9          1HB       TYR   9  -7.980   2.169   7.347
   67    HD1  TYR   9           1HD      TYR   9  -6.897   2.678  10.389
   68    HD2  TYR   9           2HD      TYR   9  -9.936   0.337   8.547
   69    HE1  TYR   9           1HE      TYR   9  -8.193   2.727  12.478
   70    HE2  TYR   9           2HE      TYR   9 -11.240   0.381  10.631
   71    HH   TYR   9           HH       TYR   9 -10.932   0.726  12.991
   72    HA   PRO  10           HA       PRO  10  -8.263  -0.470   3.270
   73   1HB   PRO  10          2HB       PRO  10 -10.694   1.205   3.348
   74   2HB   PRO  10          1HB       PRO  10 -10.460  -0.405   2.663
   75   1HG   PRO  10          2HG       PRO  10 -11.855  -0.042   4.916
   76   2HG   PRO  10          1HG       PRO  10 -10.822  -1.465   4.685
   77   1HD   PRO  10          2HD       PRO  10 -10.305   1.020   6.274
   78   2HD   PRO  10          1HD       PRO  10  -9.927  -0.670   6.667
   79    H    PHE  11           H        PHE  11  -8.179   0.915   1.396
   80    HA   PHE  11           HA       PHE  11  -7.426   3.686   2.042
   81   1HB   PHE  11          2HB       PHE  11  -6.018   3.438  -0.156
   82   2HB   PHE  11          1HB       PHE  11  -5.388   2.833   1.369
   83    HD1  PHE  11           1HD      PHE  11  -3.899   1.221   0.504
   84    HD2  PHE  11           2HD      PHE  11  -7.990   1.158  -0.644
   85    HE1  PHE  11           1HE      PHE  11  -3.576  -0.993  -0.512
   86    HE2  PHE  11           2HE      PHE  11  -7.676  -1.050  -1.652
   87    HZ   PHE  11           HZ       PHE  11  -5.469  -2.135  -1.593
   88    H    SER  12           H        SER  12  -7.898   5.301   0.450
   89    HA   SER  12           HA       SER  12 -10.016   4.499  -1.445
   90   1HB   SER  12          2HB       SER  12 -10.168   6.289   0.805
   91   2HB   SER  12          1HB       SER  12 -10.466   7.188  -0.684
   92    HG   SER  12           HG       SER  12 -12.386   6.355  -0.586
   93    H    SER  13           H        SER  13  -9.931   5.308  -3.450
   94    HA   SER  13           HA       SER  13  -7.532   6.686  -4.266
   95   1HB   SER  13          2HB       SER  13  -9.175   4.842  -5.473
   96   2HB   SER  13          1HB       SER  13  -9.645   6.342  -6.274
   97    HG   SER  13           HG       SER  13  -7.937   5.428  -7.390
   98    H    VAL  14           H        VAL  14  -7.657   8.575  -5.742
   99    HA   VAL  14           HA       VAL  14  -9.915  10.249  -5.857
  100    HB   VAL  14           HB       VAL  14  -9.724  10.757  -3.587
  101   1HG1  VAL  14          1HG1      VAL  14  -7.572   9.647  -3.239
  102   2HG1  VAL  14          2HG1      VAL  14  -7.648  11.216  -2.436
  103   3HG1  VAL  14          3HG1      VAL  14  -6.750  11.038  -3.944
  104   1HG2  VAL  14          1HG2      VAL  14  -9.248  13.055  -3.508
  105   2HG2  VAL  14          2HG2      VAL  14  -9.706  12.751  -5.183
  106   3HG2  VAL  14          3HG2      VAL  14  -8.005  12.929  -4.753
  107    H    THR  15           H        THR  15  -6.388  10.137  -5.742
  108    HA   THR  15           HA       THR  15  -6.203  12.232  -7.769
  109    HB   THR  15           HB       THR  15  -3.822  10.815  -6.634
  110    HG1  THR  15           1HG      THR  15  -3.907  12.207  -4.845
  111   1HG2  THR  15          1HG2      THR  15  -4.399  13.510  -7.745
  112   2HG2  THR  15          2HG2      THR  15  -3.048  12.421  -8.059
  113   3HG2  THR  15          3HG2      THR  15  -3.115  13.330  -6.549
  114    H    GLU  16           H        GLU  16  -4.406  11.814  -9.470
  115    HA   GLU  16           HA       GLU  16  -5.279   9.695 -11.117
  116   1HB   GLU  16          2HB       GLU  16  -4.410  11.217 -12.525
  117   2HB   GLU  16          1HB       GLU  16  -3.388  11.911 -11.278
  118   1HG   GLU  16          2HG       GLU  16  -2.039  11.102 -13.096
  119   2HG   GLU  16          1HG       GLU  16  -1.743  10.133 -11.654
  120    H    GLU  17           H        GLU  17  -2.512  10.061  -8.964
  121    HA   GLU  17           HA       GLU  17  -1.402   7.501  -9.747
  122   1HB   GLU  17          2HB       GLU  17  -0.505   9.035  -7.331
  123   2HB   GLU  17          1HB       GLU  17   0.435   8.008  -8.405
  124   1HG   GLU  17          2HG       GLU  17   0.015   9.779 -10.189
  125   2HG   GLU  17          1HG       GLU  17  -0.519  10.812  -8.864
  126    H    GLU  18           H        GLU  18  -3.922   8.426  -7.835
  127    HA   GLU  18           HA       GLU  18  -3.564   6.638  -5.620
  128   1HB   GLU  18          2HB       GLU  18  -5.392   8.700  -6.423
  129   2HB   GLU  18          1HB       GLU  18  -6.283   7.288  -5.893
  130   1HG   GLU  18          2HG       GLU  18  -5.741   9.059  -4.153
  131   2HG   GLU  18          1HG       GLU  18  -5.407   7.378  -3.744
  132    H    LEU  19           H        LEU  19  -5.396   5.015  -5.160
  133    HA   LEU  19           HA       LEU  19  -6.620   3.809  -7.466
  134   1HB   LEU  19          2HB       LEU  19  -4.061   2.885  -6.566
  135   2HB   LEU  19          1HB       LEU  19  -5.253   1.629  -6.328
  136    HG   LEU  19           HG       LEU  19  -5.901   2.240  -8.801
  137   1HD1  LEU  19          1HD1      LEU  19  -3.579   3.803  -8.430
  138   2HD1  LEU  19          2HD1      LEU  19  -4.545   3.595  -9.887
  139   3HD1  LEU  19          3HD1      LEU  19  -3.193   2.510  -9.563
  140   1HD2  LEU  19          1HD2      LEU  19  -5.189   0.057  -7.992
  141   2HD2  LEU  19          2HD2      LEU  19  -3.506   0.576  -8.080
  142   3HD2  LEU  19          3HD2      LEU  19  -4.463   0.431  -9.553
  143    H    ASN  20           H        ASN  20  -8.031   2.070  -6.967
  144    HA   ASN  20           HA       ASN  20  -8.589   1.641  -4.129
  145   1HB   ASN  20          2HB       ASN  20 -10.213   3.277  -4.557
  146   2HB   ASN  20          1HB       ASN  20 -10.522   2.689  -6.182
  147   1HD2  ASN  20          1HD2      ASN  20 -10.674   1.540  -2.829
  148   2HD2  ASN  20          2HD2      ASN  20 -12.189   0.726  -2.997
  149    H    PHE  21           H        PHE  21  -8.038  -0.395  -4.026
  150    HA   PHE  21           HA       PHE  21  -9.432  -2.339  -5.724
  151   1HB   PHE  21          2HB       PHE  21  -7.143  -3.708  -5.292
  152   2HB   PHE  21          1HB       PHE  21  -7.450  -2.758  -6.731
  153    HD1  PHE  21           1HD      PHE  21  -5.254  -2.244  -7.328
  154    HD2  PHE  21           2HD      PHE  21  -6.615  -1.391  -3.394
  155    HE1  PHE  21           1HE      PHE  21  -3.208  -0.947  -6.905
  156    HE2  PHE  21           2HE      PHE  21  -4.574  -0.077  -2.971
  157    HZ   PHE  21           HZ       PHE  21  -2.868   0.141  -4.727
  158    H    GLU  22           H        GLU  22  -9.383  -4.596  -4.709
  159    HA   GLU  22           HA       GLU  22 -10.450  -4.411  -2.113
  160   1HB   GLU  22          2HB       GLU  22  -9.492  -6.750  -3.744
  161   2HB   GLU  22          1HB       GLU  22 -10.163  -6.956  -2.134
  162   1HG   GLU  22          2HG       GLU  22 -12.035  -7.279  -3.378
  163   2HG   GLU  22          1HG       GLU  22 -12.135  -5.536  -3.137
  164    H    LYS  23           H        LYS  23  -9.246  -3.641  -0.557
  165    HA   LYS  23           HA       LYS  23  -6.472  -4.151  -0.209
  166   1HB   LYS  23          2HB       LYS  23  -7.021  -2.103   0.643
  167   2HB   LYS  23          1HB       LYS  23  -8.585  -2.635   1.224
  168   1HG   LYS  23          2HG       LYS  23  -7.404  -2.186   3.165
  169   2HG   LYS  23          1HG       LYS  23  -7.250  -3.932   3.008
  170   1HD   LYS  23          2HD       LYS  23  -5.112  -3.047   3.598
  171   2HD   LYS  23          1HD       LYS  23  -5.024  -3.556   1.911
  172   1HE   LYS  23          2HE       LYS  23  -4.070  -1.493   1.717
  173   2HE   LYS  23          1HE       LYS  23  -5.759  -1.035   1.517
  174   1HZ   LYS  23          1HZ       LYS  23  -5.796   0.034   3.470
  175   2HZ   LYS  23          2HZ       LYS  23  -4.119   0.106   3.271
  176   3HZ   LYS  23          3HZ       LYS  23  -4.803  -1.091   4.250
  177    H    GLY  24           H        GLY  24  -5.399  -5.342   1.264
  178   1HA   GLY  24          2HA       GLY  24  -6.978  -7.309   2.799
  179   2HA   GLY  24          1HA       GLY  24  -5.440  -7.698   2.033
  180    H    GLU  25           H        GLU  25  -4.748  -8.340   4.206
  181    HA   GLU  25           HA       GLU  25  -4.286  -6.152   6.067
  182   1HB   GLU  25          2HB       GLU  25  -3.810  -9.122   6.381
  183   2HB   GLU  25          1HB       GLU  25  -3.586  -7.915   7.639
  184   1HG   GLU  25          2HG       GLU  25  -6.131  -7.401   6.979
  185   2HG   GLU  25          1HG       GLU  25  -6.059  -9.115   6.575
  186    H    THR  26           H        THR  26  -2.820  -7.012   3.399
  187    HA   THR  26           HA       THR  26  -0.209  -6.237   4.364
  188    HB   THR  26           HB       THR  26   0.579  -8.325   2.829
  189    HG1  THR  26           1HG      THR  26  -0.873  -9.817   2.808
  190   1HG2  THR  26          1HG2      THR  26   0.159  -8.228   5.794
  191   2HG2  THR  26          2HG2      THR  26   1.647  -7.953   4.889
  192   3HG2  THR  26          3HG2      THR  26   0.958  -9.574   4.984
  193    H    MET  27           H        MET  27   0.862  -5.088   2.941
  194    HA   MET  27           HA       MET  27   0.291  -5.301   0.090
  195   1HB   MET  27          2HB       MET  27  -0.392  -3.147  -0.221
  196   2HB   MET  27          1HB       MET  27  -0.969  -3.348   1.426
  197   1HG   MET  27          2HG       MET  27   1.491  -2.458   1.942
  198   2HG   MET  27          1HG       MET  27   1.245  -1.704   0.371
  199   1HE   MET  27          1HE       MET  27  -1.648  -1.486   0.227
  200   2HE   MET  27          2HE       MET  27  -1.240   0.226   0.135
  201   3HE   MET  27          3HE       MET  27  -2.443  -0.333   1.296
  202    H    GLU  28           H        GLU  28   2.031  -4.094  -1.191
  203    HA   GLU  28           HA       GLU  28   4.551  -4.065   0.352
  204   1HB   GLU  28          2HB       GLU  28   5.667  -4.915  -1.728
  205   2HB   GLU  28          1HB       GLU  28   4.581  -6.051  -0.951
  206   1HG   GLU  28          2HG       GLU  28   2.860  -5.578  -2.593
  207   2HG   GLU  28          1HG       GLU  28   3.908  -4.388  -3.361
  208    H    VAL  29           H        VAL  29   5.249  -2.086   0.437
  209    HA   VAL  29           HA       VAL  29   4.620  -0.182  -1.660
  210    HB   VAL  29           HB       VAL  29   5.722   0.094   1.122
  211   1HG1  VAL  29          1HG1      VAL  29   6.978   1.749   0.112
  212   2HG1  VAL  29          2HG1      VAL  29   5.520   2.619   0.589
  213   3HG1  VAL  29          3HG1      VAL  29   5.733   2.105  -1.084
  214   1HG2  VAL  29          1HG2      VAL  29   3.168  -0.032   0.207
  215   2HG2  VAL  29          2HG2      VAL  29   3.449   1.709   0.236
  216   3HG2  VAL  29          3HG2      VAL  29   3.665   0.756   1.704
  217    H    ILE  30           H        ILE  30   6.026   0.660  -3.028
  218    HA   ILE  30           HA       ILE  30   8.771  -0.382  -2.993
  219    HB   ILE  30           HB       ILE  30   8.657   0.661  -5.426
  220   1HG1  ILE  30          2HG1      ILE  30   6.173   1.345  -4.683
  221   2HG1  ILE  30          1HG1      ILE  30   6.585   0.988  -6.344
  222   1HG2  ILE  30          1HG2      ILE  30   7.757  -1.590  -6.204
  223   2HG2  ILE  30          2HG2      ILE  30   7.575  -1.978  -4.494
  224   3HG2  ILE  30          3HG2      ILE  30   9.170  -1.608  -5.149
  225   1HD1  ILE  30          1HD1      ILE  30   5.782  -1.321  -6.000
  226   2HD1  ILE  30          2HD1      ILE  30   4.536  -0.094  -5.786
  227   3HD1  ILE  30          3HD1      ILE  30   5.271  -0.856  -4.378
  228    H    GLU  31           H        GLU  31   6.912   2.608  -3.392
  229    HA   GLU  31           HA       GLU  31   9.356   4.191  -3.403
  230   1HB   GLU  31          2HB       GLU  31   7.509   4.774  -4.940
  231   2HB   GLU  31          1HB       GLU  31   6.467   5.073  -3.556
  232   1HG   GLU  31          2HG       GLU  31   8.400   6.732  -2.889
  233   2HG   GLU  31          1HG       GLU  31   8.719   6.686  -4.623
  234    H    LYS  32           H        LYS  32  10.268   4.480  -1.468
  235    HA   LYS  32           HA       LYS  32   8.608   4.753   0.903
  236   1HB   LYS  32          2HB       LYS  32  11.592   4.873   0.967
  237   2HB   LYS  32          1HB       LYS  32  10.476   4.201   2.140
  238   1HG   LYS  32          2HG       LYS  32  11.326   2.992  -0.473
  239   2HG   LYS  32          1HG       LYS  32  11.660   2.397   1.153
  240   1HD   LYS  32          2HD       LYS  32   8.936   2.576  -0.136
  241   2HD   LYS  32          1HD       LYS  32   9.886   1.105   0.064
  242   1HE   LYS  32          2HE       LYS  32   9.100   2.825   2.396
  243   2HE   LYS  32          1HE       LYS  32   8.042   1.561   1.771
  244   1HZ   LYS  32          1HZ       LYS  32  10.366   0.250   2.024
  245   2HZ   LYS  32          2HZ       LYS  32   9.159   0.278   3.210
  246   3HZ   LYS  32          3HZ       LYS  32  10.475   1.336   3.318
  247    HA   PRO  33           HA       PRO  33   8.864   9.231   0.422
  248   1HB   PRO  33          2HB       PRO  33   7.723   9.138   3.158
  249   2HB   PRO  33          1HB       PRO  33   7.132   9.978   1.721
  250   1HG   PRO  33          2HG       PRO  33   5.911   7.785   2.627
  251   2HG   PRO  33          1HG       PRO  33   6.077   8.090   0.888
  252   1HD   PRO  33          2HD       PRO  33   7.629   6.233   2.645
  253   2HD   PRO  33          1HD       PRO  33   7.054   5.996   0.981
  254    H    GLU  34           H        GLU  34  11.141   9.357   0.561
  255    HA   GLU  34           HA       GLU  34  12.427   9.213   3.147
  256   1HB   GLU  34          2HB       GLU  34  13.241   9.022   0.427
  257   2HB   GLU  34          1HB       GLU  34  14.145  10.337   1.165
  258   1HG   GLU  34          2HG       GLU  34  15.167   8.945   2.704
  259   2HG   GLU  34          1HG       GLU  34  13.937   7.693   2.537
  260    H    ASN  35           H        ASN  35  11.966  11.738   0.669
  261    HA   ASN  35           HA       ASN  35  12.404  13.744   2.783
  262   1HB   ASN  35          2HB       ASN  35  12.834  15.261   0.690
  263   2HB   ASN  35          1HB       ASN  35  14.104  14.193   1.278
  264   1HD2  ASN  35          1HD2      ASN  35  15.062  12.982  -0.177
  265   2HD2  ASN  35          2HD2      ASN  35  14.417  12.532  -1.716
  266    H    ASP  36           H        ASP  36  10.296  12.666   0.224
  267    HA   ASP  36           HA       ASP  36   8.514  14.951   0.673
  268   1HB   ASP  36          2HB       ASP  36   8.599  12.850  -1.494
  269   2HB   ASP  36          1HB       ASP  36   7.292  14.019  -1.335
  270    HA   PRO  37           HA       PRO  37   6.293  11.889   3.195
  271   1HB   PRO  37          2HB       PRO  37   5.056  13.646   4.802
  272   2HB   PRO  37          1HB       PRO  37   6.766  13.246   5.009
  273   1HG   PRO  37          2HG       PRO  37   5.524  15.628   3.686
  274   2HG   PRO  37          1HG       PRO  37   6.912  15.557   4.787
  275   1HD   PRO  37          2HD       PRO  37   7.139  15.730   2.064
  276   2HD   PRO  37          1HD       PRO  37   8.366  14.990   3.110
  277    H    GLU  38           H        GLU  38   5.305  12.089   0.737
  278    HA   GLU  38           HA       GLU  38   2.607  13.203   0.936
  279   1HB   GLU  38          2HB       GLU  38   2.634  12.411  -1.589
  280   2HB   GLU  38          1HB       GLU  38   3.379  13.922  -1.093
  281   1HG   GLU  38          2HG       GLU  38   5.507  13.140  -1.398
  282   2HG   GLU  38          1HG       GLU  38   5.045  11.459  -1.134
  283    H    TRP  39           H        TRP  39   3.322  10.476  -1.153
  284    HA   TRP  39           HA       TRP  39   2.055   8.589   0.648
  285   1HB   TRP  39          2HB       TRP  39   0.823   9.218  -2.042
  286   2HB   TRP  39          1HB       TRP  39   0.270   7.993  -0.906
  287    HD1  TRP  39           HD       TRP  39  -0.902   8.907   1.383
  288    HE1  TRP  39           1HE      TRP  39  -2.179  11.093   1.843
  289    HE3  TRP  39           3HE      TRP  39   0.704  11.644  -2.625
  290    HZ2  TRP  39           2HZ      TRP  39  -2.468  13.642   0.664
  291    HZ3  TRP  39           3HZ      TRP  39  -0.120  13.948  -2.887
  292    HH2  TRP  39           HH       TRP  39  -1.674  14.924  -1.276
  293    H    TRP  40           H        TRP  40   2.293   6.404  -0.004
  294    HA   TRP  40           HA       TRP  40   4.384   6.034  -2.035
  295   1HB   TRP  40          2HB       TRP  40   4.670   3.769  -0.871
  296   2HB   TRP  40          1HB       TRP  40   5.217   5.196  -0.003
  297    HD1  TRP  40           HD       TRP  40   1.517   4.238  -0.067
  298    HE1  TRP  40           1HE      TRP  40   0.790   3.559   2.311
  299    HE3  TRP  40           3HE      TRP  40   6.082   4.291   2.201
  300    HZ2  TRP  40           2HZ      TRP  40   2.020   3.117   4.817
  301    HZ3  TRP  40           3HZ      TRP  40   6.226   3.739   4.591
  302    HH2  TRP  40           HH       TRP  40   4.228   3.168   5.871
  303    H    LYS  41           H        LYS  41   4.265   3.752  -3.076
  304    HA   LYS  41           HA       LYS  41   1.490   3.064  -3.676
  305   1HB   LYS  41          2HB       LYS  41   2.165   2.750  -6.081
  306   2HB   LYS  41          1HB       LYS  41   2.006   4.406  -5.523
  307   1HG   LYS  41          2HG       LYS  41   3.944   4.498  -6.706
  308   2HG   LYS  41          1HG       LYS  41   4.560   4.207  -5.087
  309   1HD   LYS  41          2HD       LYS  41   5.702   2.564  -6.091
  310   2HD   LYS  41          1HD       LYS  41   4.180   1.683  -5.979
  311   1HE   LYS  41          2HE       LYS  41   5.612   2.666  -8.318
  312   2HE   LYS  41          1HE       LYS  41   4.423   1.372  -8.167
  313   1HZ   LYS  41          1HZ       LYS  41   3.306   2.866  -9.470
  314   2HZ   LYS  41          2HZ       LYS  41   4.011   4.224  -8.747
  315   3HZ   LYS  41          3HZ       LYS  41   2.787   3.379  -7.943
  316    H    CYS  42           H        CYS  42   1.007   0.996  -3.940
  317    HA   CYS  42           HA       CYS  42   3.228  -0.923  -3.982
  318   1HB   CYS  42          2HB       CYS  42   1.616  -2.435  -2.649
  319   2HB   CYS  42          1HB       CYS  42   2.425  -1.147  -1.766
  320    HG   CYS  42           HG       CYS  42  -0.423  -1.511  -1.677
  321    H    LYS  43           H        LYS  43   2.745  -2.910  -5.098
  322    HA   LYS  43           HA       LYS  43   0.730  -2.528  -7.167
  323   1HB   LYS  43          2HB       LYS  43   1.806  -4.563  -8.188
  324   2HB   LYS  43          1HB       LYS  43   2.873  -3.177  -8.002
  325   1HG   LYS  43          2HG       LYS  43   3.932  -4.158  -6.099
  326   2HG   LYS  43          1HG       LYS  43   2.751  -5.469  -6.057
  327   1HD   LYS  43          2HD       LYS  43   4.638  -6.414  -7.075
  328   2HD   LYS  43          1HD       LYS  43   3.562  -6.031  -8.418
  329   1HE   LYS  43          2HE       LYS  43   5.687  -4.118  -7.504
  330   2HE   LYS  43          1HE       LYS  43   6.041  -5.414  -8.647
  331   1HZ   LYS  43          1HZ       LYS  43   5.441  -3.882 -10.150
  332   2HZ   LYS  43          2HZ       LYS  43   4.563  -2.955  -9.039
  333   3HZ   LYS  43          3HZ       LYS  43   3.859  -4.323  -9.742
  334    H    ASN  44           H        ASN  44  -1.127  -3.598  -7.282
  335    HA   ASN  44           HA       ASN  44  -1.639  -5.670  -5.263
  336   1HB   ASN  44          2HB       ASN  44  -2.995  -3.395  -5.512
  337   2HB   ASN  44          1HB       ASN  44  -3.850  -4.315  -6.744
  338   1HD2  ASN  44          1HD2      ASN  44  -3.335  -3.831  -3.395
  339   2HD2  ASN  44          2HD2      ASN  44  -4.482  -4.988  -2.821
  340    H    ALA  45           H        ALA  45  -3.518  -7.147  -6.030
  341    HA   ALA  45           HA       ALA  45  -2.538  -8.454  -8.381
  342   1HB   ALA  45          1HB       ALA  45  -3.580 -10.293  -7.606
  343   2HB   ALA  45          2HB       ALA  45  -5.067  -9.418  -7.239
  344   3HB   ALA  45          3HB       ALA  45  -3.710  -9.361  -6.114
  345    H    ARG  46           H        ARG  46  -4.399  -5.824  -8.109
  346    HA   ARG  46           HA       ARG  46  -6.448  -6.514 -10.012
  347   1HB   ARG  46          2HB       ARG  46  -7.470  -4.914  -8.845
  348   2HB   ARG  46          1HB       ARG  46  -5.960  -4.394  -8.117
  349   1HG   ARG  46          2HG       ARG  46  -5.549  -2.857  -9.810
  350   2HG   ARG  46          1HG       ARG  46  -6.766  -3.550 -10.877
  351   1HD   ARG  46          2HD       ARG  46  -7.132  -1.859  -8.430
  352   2HD   ARG  46          1HD       ARG  46  -7.774  -1.613 -10.051
  353    HE   ARG  46           HE       ARG  46  -8.902  -3.251  -7.961
  354   1HH1  ARG  46          1HH1      ARG  46  -8.822  -2.596 -11.388
  355   2HH1  ARG  46          2HH1      ARG  46 -10.378  -3.296 -11.684
  356   1HH2  ARG  46          1HH2      ARG  46 -10.945  -4.173  -8.349
  357   2HH2  ARG  46          2HH2      ARG  46 -11.583  -4.191  -9.959
  358    H    GLY  47           H        GLY  47  -3.215  -5.804 -10.229
  359   1HA   GLY  47          2HA       GLY  47  -2.060  -5.800 -12.283
  360   2HA   GLY  47          1HA       GLY  47  -3.508  -5.200 -13.072
  361    H    GLN  48           H        GLN  48  -3.815  -3.070 -11.003
  362    HA   GLN  48           HA       GLN  48  -1.669  -1.302 -11.979
  363   1HB   GLN  48          2HB       GLN  48  -4.588  -0.975 -11.867
  364   2HB   GLN  48          1HB       GLN  48  -3.673   0.400 -11.279
  365   1HG   GLN  48          2HG       GLN  48  -3.506  -0.865 -13.999
  366   2HG   GLN  48          1HG       GLN  48  -4.137   0.730 -13.592
  367   1HE2  GLN  48          1HE2      GLN  48  -1.364  -1.130 -14.318
  368   2HE2  GLN  48          2HE2      GLN  48  -0.202   0.145 -14.225
  369    H    VAL  49           H        VAL  49  -0.612   0.011 -10.571
  370    HA   VAL  49           HA       VAL  49  -1.294  -0.316  -7.725
  371    HB   VAL  49           HB       VAL  49   0.889  -0.147  -7.138
  372   1HG1  VAL  49          1HG1      VAL  49   0.692  -1.873  -9.024
  373   2HG1  VAL  49          2HG1      VAL  49   2.294  -1.374  -8.481
  374   3HG1  VAL  49          3HG1      VAL  49   1.620  -0.709  -9.968
  375   1HG2  VAL  49          1HG2      VAL  49   2.563   1.202  -8.494
  376   2HG2  VAL  49          2HG2      VAL  49   1.288   2.090  -7.661
  377   3HG2  VAL  49          3HG2      VAL  49   1.170   1.796  -9.396
  378    H    GLY  50           H        GLY  50  -1.454   1.485  -6.396
  379   1HA   GLY  50          2HA       GLY  50  -1.378   4.100  -7.735
  380   2HA   GLY  50          1HA       GLY  50  -2.763   3.643  -6.770
  381    H    LEU  51           H        LEU  51  -2.297   5.531  -5.501
  382    HA   LEU  51           HA       LEU  51   0.043   5.221  -3.762
  383   1HB   LEU  51          2HB       LEU  51  -1.365   7.521  -4.882
  384   2HB   LEU  51          1HB       LEU  51  -1.030   7.685  -3.169
  385    HG   LEU  51           HG       LEU  51   1.270   7.731  -3.481
  386   1HD1  LEU  51          1HD1      LEU  51   1.970   7.108  -6.054
  387   2HD1  LEU  51          2HD1      LEU  51   0.713   5.925  -5.693
  388   3HD1  LEU  51          3HD1      LEU  51   2.131   6.052  -4.652
  389   1HD2  LEU  51          1HD2      LEU  51   1.322   8.945  -5.976
  390   2HD2  LEU  51          2HD2      LEU  51   1.088   9.736  -4.418
  391   3HD2  LEU  51          3HD2      LEU  51  -0.309   9.238  -5.372
  392    H    VAL  52           H        VAL  52  -0.244   4.437  -1.828
  393    HA   VAL  52           HA       VAL  52  -2.926   4.459  -0.652
  394    HB   VAL  52           HB       VAL  52  -2.203   2.243  -0.679
  395   1HG1  VAL  52          1HG1      VAL  52  -0.090   1.540  -0.768
  396   2HG1  VAL  52          2HG1      VAL  52   0.372   2.442   0.669
  397   3HG1  VAL  52          3HG1      VAL  52   0.342   3.237  -0.900
  398   1HG2  VAL  52          1HG2      VAL  52  -1.674   3.455   2.021
  399   2HG2  VAL  52          2HG2      VAL  52  -1.509   1.723   1.750
  400   3HG2  VAL  52          3HG2      VAL  52  -3.058   2.513   1.474
  401    HA   PRO  53           HA       PRO  53  -1.740   7.422   2.442
  402   1HB   PRO  53          2HB       PRO  53  -3.652   6.918   4.258
  403   2HB   PRO  53          1HB       PRO  53  -4.056   7.636   2.688
  404   1HG   PRO  53          2HG       PRO  53  -4.116   4.733   3.485
  405   2HG   PRO  53          1HG       PRO  53  -5.437   5.703   2.780
  406   1HD   PRO  53          2HD       PRO  53  -3.939   4.157   1.231
  407   2HD   PRO  53          1HD       PRO  53  -4.390   5.786   0.686
  408    H    LYS  54           H        LYS  54   0.186   6.803   3.326
  409    HA   LYS  54           HA       LYS  54   0.790   4.451   4.627
  410   1HB   LYS  54          2HB       LYS  54   2.647   5.764   5.670
  411   2HB   LYS  54          1HB       LYS  54   2.524   5.867   3.916
  412   1HG   LYS  54          2HG       LYS  54   2.554   8.050   4.139
  413   2HG   LYS  54          1HG       LYS  54   0.933   7.934   4.820
  414   1HD   LYS  54          2HD       LYS  54   1.846   7.773   7.054
  415   2HD   LYS  54          1HD       LYS  54   3.493   7.783   6.415
  416   1HE   LYS  54          2HE       LYS  54   2.515  10.045   5.305
  417   2HE   LYS  54          1HE       LYS  54   1.593  10.001   6.807
  418   1HZ   LYS  54          1HZ       LYS  54   3.402  11.019   7.623
  419   2HZ   LYS  54          2HZ       LYS  54   4.419  10.476   6.385
  420   3HZ   LYS  54          3HZ       LYS  54   4.057   9.460   7.688
  421    H    ASN  55           H        ASN  55  -0.998   7.137   5.795
  422    HA   ASN  55           HA       ASN  55  -0.551   6.663   8.584
  423   1HB   ASN  55          2HB       ASN  55  -1.507   8.777   7.178
  424   2HB   ASN  55          1HB       ASN  55  -3.008   8.076   7.773
  425   1HD2  ASN  55          1HD2      ASN  55  -3.643   9.244   9.435
  426   2HD2  ASN  55          2HD2      ASN  55  -2.656   9.738  10.765
  427    H    TYR  56           H        TYR  56  -2.340   5.059   6.255
  428    HA   TYR  56           HA       TYR  56  -4.250   4.034   8.250
  429   1HB   TYR  56          2HB       TYR  56  -4.394   3.866   5.233
  430   2HB   TYR  56          1HB       TYR  56  -5.614   3.295   6.359
  431    HD1  TYR  56           1HD      TYR  56  -4.779   6.076   8.007
  432    HD2  TYR  56           2HD      TYR  56  -6.449   5.021   4.242
  433    HE1  TYR  56           1HE      TYR  56  -5.909   8.255   7.906
  434    HE2  TYR  56           2HE      TYR  56  -7.584   7.198   4.127
  435    HH   TYR  56           HH       TYR  56  -8.276   9.037   6.434
  436    H    VAL  57           H        VAL  57  -1.344   3.268   7.583
  437    HA   VAL  57           HA       VAL  57  -1.839   0.394   7.631
  438    HB   VAL  57           HB       VAL  57  -0.819  -0.194   5.683
  439   1HG1  VAL  57          1HG1      VAL  57  -1.540   2.654   4.991
  440   2HG1  VAL  57          2HG1      VAL  57  -2.665   1.299   5.044
  441   3HG1  VAL  57          3HG1      VAL  57  -1.363   1.317   3.855
  442   1HG2  VAL  57          1HG2      VAL  57   1.373   0.479   5.934
  443   2HG2  VAL  57          2HG2      VAL  57   0.938   2.174   6.152
  444   3HG2  VAL  57          3HG2      VAL  57   0.866   1.444   4.547
  445    H    VAL  58           H        VAL  58   0.383  -0.778   7.688
  446    HA   VAL  58           HA       VAL  58   2.363   0.709   9.252
  447    HB   VAL  58           HB       VAL  58   0.988  -0.439  10.919
  448   1HG1  VAL  58          1HG1      VAL  58   1.759  -3.155  10.198
  449   2HG1  VAL  58          2HG1      VAL  58   0.677  -2.400   9.028
  450   3HG1  VAL  58          3HG1      VAL  58   0.201  -2.518  10.721
  451   1HG2  VAL  58          1HG2      VAL  58   2.745  -1.117  12.175
  452   2HG2  VAL  58          2HG2      VAL  58   3.662  -0.418  10.840
  453   3HG2  VAL  58          3HG2      VAL  58   3.392  -2.160  10.907
  454    H    VAL  59           H        VAL  59   4.248   0.484   8.246
  455    HA   VAL  59           HA       VAL  59   4.631  -1.281   6.102
  456    HB   VAL  59           HB       VAL  59   6.834   0.144   7.578
  457   1HG1  VAL  59          1HG1      VAL  59   6.640  -0.641   4.671
  458   2HG1  VAL  59          2HG1      VAL  59   7.425  -1.641   5.895
  459   3HG1  VAL  59          3HG1      VAL  59   8.054  -0.036   5.535
  460   1HG2  VAL  59          1HG2      VAL  59   4.625   1.340   6.485
  461   2HG2  VAL  59          2HG2      VAL  59   5.772   1.366   5.146
  462   3HG2  VAL  59          3HG2      VAL  59   6.202   2.101   6.690
  463    H    LEU  60           H        LEU  60   5.943  -2.958   5.748
  464    HA   LEU  60           HA       LEU  60   6.686  -4.588   8.047
  465   1HB   LEU  60          2HB       LEU  60   5.162  -5.152   5.713
  466   2HB   LEU  60          1HB       LEU  60   6.657  -6.058   5.594
  467    HG   LEU  60           HG       LEU  60   6.200  -7.283   7.566
  468   1HD1  LEU  60          1HD1      LEU  60   4.357  -5.044   8.148
  469   2HD1  LEU  60          2HD1      LEU  60   5.406  -5.963   9.227
  470   3HD1  LEU  60          3HD1      LEU  60   3.868  -6.646   8.701
  471   1HD2  LEU  60          1HD2      LEU  60   4.956  -8.077   5.663
  472   2HD2  LEU  60          2HD2      LEU  60   3.658  -6.927   5.984
  473   3HD2  LEU  60          3HD2      LEU  60   3.966  -8.248   7.112
  474    H    SER  61           H        SER  61   8.559  -5.969   7.616
  475    HA   SER  61           HA       SER  61  10.454  -5.369   5.602
  476   1HB   SER  61          2HB       SER  61  12.188  -4.363   7.096
  477   2HB   SER  61          1HB       SER  61  10.789  -3.318   6.846
  478    HG   SER  61           HG       SER  61  11.717  -4.489   9.143
  Start of MODEL    9
    1   1H    GLY   1          1HT       GLY   1  16.750  -6.839   2.193
    2   2H    GLY   1          2HT       GLY   1  16.853  -8.240   3.134
    3   3H    GLY   1          3HT       GLY   1  15.607  -7.129   3.406
    4   1HA   GLY   1          1HA       GLY   1  15.971  -8.889   1.048
    5   2HA   GLY   1          2HA       GLY   1  14.675  -8.957   2.233
    6    H    SER   2           H        SER   2  12.820  -8.197   1.496
    7    HA   SER   2           HA       SER   2  12.885  -6.031  -0.502
    8   1HB   SER   2          2HB       SER   2  11.661  -8.556  -0.645
    9   2HB   SER   2          1HB       SER   2  10.341  -7.415  -0.374
   10    HG   SER   2           HG       SER   2  11.240  -6.190  -2.154
   11    H    HIS   3           H        HIS   3  11.559  -4.266  -0.245
   12    HA   HIS   3           HA       HIS   3  10.651  -3.768   2.454
   13   1HB   HIS   3          2HB       HIS   3   9.789  -1.591   1.055
   14   2HB   HIS   3          1HB       HIS   3  11.375  -1.740   1.795
   15    HD1  HIS   3           1HD      HIS   3   9.926  -2.890  -1.543
   16    HD2  HIS   3           2HD      HIS   3  13.217  -0.892   0.020
   17    HE1  HIS   3           1HE      HIS   3  11.369  -2.322  -3.522
   18    HE2  HIS   3           2HE      HIS   3  13.299  -1.017  -2.562
   19    H    VAL   4           H        VAL   4   8.682  -4.156   3.180
   20    HA   VAL   4           HA       VAL   4   6.477  -4.270   1.235
   21    HB   VAL   4           HB       VAL   4   5.970  -6.009   3.466
   22   1HG1  VAL   4          1HG1      VAL   4   5.448  -7.598   1.751
   23   2HG1  VAL   4          2HG1      VAL   4   6.381  -6.693   0.561
   24   3HG1  VAL   4          3HG1      VAL   4   4.892  -6.012   1.215
   25   1HG2  VAL   4          1HG2      VAL   4   8.375  -6.274   3.640
   26   2HG2  VAL   4          2HG2      VAL   4   8.481  -6.628   1.915
   27   3HG2  VAL   4          3HG2      VAL   4   7.647  -7.745   2.994
   28    H    VAL   5           H        VAL   5   4.319  -4.157   2.328
   29    HA   VAL   5           HA       VAL   5   4.373  -2.601   4.796
   30    HB   VAL   5           HB       VAL   5   4.025  -0.741   3.639
   31   1HG1  VAL   5          1HG1      VAL   5   2.650  -1.165   1.272
   32   2HG1  VAL   5          2HG1      VAL   5   3.741  -2.538   1.422
   33   3HG1  VAL   5          3HG1      VAL   5   4.375  -0.903   1.486
   34   1HG2  VAL   5          1HG2      VAL   5   1.710  -0.158   3.147
   35   2HG2  VAL   5          2HG2      VAL   5   1.861  -0.988   4.697
   36   3HG2  VAL   5          3HG2      VAL   5   1.250  -1.856   3.287
   37    H    GLN   6           H        GLN   6   2.319  -2.507   5.904
   38    HA   GLN   6           HA       GLN   6   0.564  -4.766   5.196
   39   1HB   GLN   6          2HB       GLN   6   2.371  -4.867   7.237
   40   2HB   GLN   6          1HB       GLN   6   0.938  -4.280   8.074
   41   1HG   GLN   6          2HG       GLN   6  -0.282  -6.194   7.613
   42   2HG   GLN   6          1HG       GLN   6   0.770  -6.661   6.279
   43   1HE2  GLN   6          1HE2      GLN   6   2.135  -8.244   6.681
   44   2HE2  GLN   6          2HE2      GLN   6   2.714  -8.720   8.238
   45    H    THR   7           H        THR   7  -1.602  -4.565   5.665
   46    HA   THR   7           HA       THR   7  -2.435  -1.923   6.661
   47    HB   THR   7           HB       THR   7  -4.585  -2.946   5.227
   48    HG1  THR   7           1HG      THR   7  -3.565  -3.355   3.172
   49   1HG2  THR   7          1HG2      THR   7  -2.499  -0.934   4.440
   50   2HG2  THR   7          2HG2      THR   7  -4.077  -0.633   5.167
   51   3HG2  THR   7          3HG2      THR   7  -3.968  -1.240   3.515
   52    H    LEU   8           H        LEU   8  -4.691  -1.915   7.514
   53    HA   LEU   8           HA       LEU   8  -5.274  -4.387   8.986
   54   1HB   LEU   8          2HB       LEU   8  -6.048  -2.362  10.694
   55   2HB   LEU   8          1HB       LEU   8  -4.644  -3.386  10.874
   56    HG   LEU   8           HG       LEU   8  -4.118  -1.016  11.178
   57   1HD1  LEU   8          1HD1      LEU   8  -2.741  -1.506   8.638
   58   2HD1  LEU   8          2HD1      LEU   8  -2.668  -2.836   9.792
   59   3HD1  LEU   8          3HD1      LEU   8  -2.090  -1.235  10.254
   60   1HD2  LEU   8          1HD2      LEU   8  -5.753  -0.733   8.853
   61   2HD2  LEU   8          2HD2      LEU   8  -4.161  -0.044   8.540
   62   3HD2  LEU   8          3HD2      LEU   8  -5.107   0.510   9.922
   63    H    TYR   9           H        TYR   9  -6.442  -1.634   7.261
   64    HA   TYR   9           HA       TYR   9  -9.176  -2.664   7.533
   65   1HB   TYR   9          2HB       TYR   9  -8.566   0.292   7.482
   66   2HB   TYR   9          1HB       TYR   9 -10.105  -0.490   7.828
   67    HD1  TYR   9           1HD      TYR   9  -7.451   1.183   9.282
   68    HD2  TYR   9           2HD      TYR   9  -9.909  -2.236   9.895
   69    HE1  TYR   9           1HE      TYR   9  -6.932   1.248  11.685
   70    HE2  TYR   9           2HE      TYR   9  -9.398  -2.179  12.299
   71    HH   TYR   9           HH       TYR   9  -7.081  -0.983  13.661
   72    HA   PRO  10           HA       PRO  10  -9.771  -2.493   3.179
   73   1HB   PRO  10          2HB       PRO  10 -11.820  -0.367   3.654
   74   2HB   PRO  10          1HB       PRO  10 -11.931  -1.835   2.675
   75   1HG   PRO  10          2HG       PRO  10 -13.074  -1.732   5.071
   76   2HG   PRO  10          1HG       PRO  10 -12.250  -3.204   4.525
   77   1HD   PRO  10          2HD       PRO  10 -11.374  -1.166   6.510
   78   2HD   PRO  10          1HD       PRO  10 -11.052  -2.911   6.463
   79    H    PHE  11           H        PHE  11  -9.845  -0.942   1.280
   80    HA   PHE  11           HA       PHE  11  -7.996   1.270   1.825
   81   1HB   PHE  11          2HB       PHE  11  -7.494  -0.634   0.147
   82   2HB   PHE  11          1HB       PHE  11  -8.636   0.193  -0.908
   83    HD1  PHE  11           1HD      PHE  11  -5.278  -0.137  -0.112
   84    HD2  PHE  11           2HD      PHE  11  -8.176   2.821  -1.091
   85    HE1  PHE  11           1HE      PHE  11  -3.483   1.369  -0.862
   86    HE2  PHE  11           2HE      PHE  11  -6.388   4.333  -1.842
   87    HZ   PHE  11           HZ       PHE  11  -4.037   3.610  -1.729
   88    H    SER  12           H        SER  12  -8.431   3.346   1.264
   89    HA   SER  12           HA       SER  12 -11.058   3.887   0.040
   90   1HB   SER  12          2HB       SER  12  -9.861   4.907   2.542
   91   2HB   SER  12          1HB       SER  12 -10.614   6.130   1.517
   92    HG   SER  12           HG       SER  12 -11.799   4.399   3.134
   93    H    SER  13           H        SER  13 -10.859   4.854  -1.860
   94    HA   SER  13           HA       SER  13  -8.460   6.472  -2.380
   95   1HB   SER  13          2HB       SER  13 -10.082   4.639  -4.062
   96   2HB   SER  13          1HB       SER  13  -9.427   6.074  -4.852
   97    HG   SER  13           HG       SER  13  -7.389   5.294  -3.655
   98    H    VAL  14           H        VAL  14  -8.866   8.174  -4.137
   99    HA   VAL  14           HA       VAL  14 -11.444   9.351  -4.324
  100    HB   VAL  14           HB       VAL  14 -11.253  10.145  -2.147
  101   1HG1  VAL  14          1HG1      VAL  14  -9.215  11.116  -1.207
  102   2HG1  VAL  14          2HG1      VAL  14  -8.373  10.801  -2.724
  103   3HG1  VAL  14          3HG1      VAL  14  -8.969   9.457  -1.752
  104   1HG2  VAL  14          1HG2      VAL  14 -10.035  12.377  -3.773
  105   2HG2  VAL  14          2HG2      VAL  14 -11.006  12.531  -2.308
  106   3HG2  VAL  14          3HG2      VAL  14 -11.744  11.941  -3.797
  107    H    THR  15           H        THR  15  -7.946   9.866  -4.491
  108    HA   THR  15           HA       THR  15  -8.145  11.914  -6.487
  109    HB   THR  15           HB       THR  15  -5.582  10.494  -6.281
  110    HG1  THR  15           1HG      THR  15  -5.188  11.149  -4.168
  111   1HG2  THR  15          1HG2      THR  15  -5.292  12.558  -7.202
  112   2HG2  THR  15          2HG2      THR  15  -4.967  12.915  -5.506
  113   3HG2  THR  15          3HG2      THR  15  -6.540  13.303  -6.203
  114    H    GLU  16           H        GLU  16  -6.786  11.594  -8.568
  115    HA   GLU  16           HA       GLU  16  -7.987   9.387  -9.990
  116   1HB   GLU  16          2HB       GLU  16  -8.087  11.150 -11.410
  117   2HB   GLU  16          1HB       GLU  16  -6.716  11.955 -10.665
  118   1HG   GLU  16          2HG       GLU  16  -6.226  11.424 -12.962
  119   2HG   GLU  16          1HG       GLU  16  -5.195  10.480 -11.887
  120    H    GLU  17           H        GLU  17  -4.848  10.288  -8.766
  121    HA   GLU  17           HA       GLU  17  -3.570   8.052 -10.152
  122   1HB   GLU  17          2HB       GLU  17  -1.467   8.978  -9.267
  123   2HB   GLU  17          1HB       GLU  17  -2.378  10.172 -10.183
  124   1HG   GLU  17          2HG       GLU  17  -3.176  10.376  -7.477
  125   2HG   GLU  17          1HG       GLU  17  -1.414  10.321  -7.517
  126    H    GLU  18           H        GLU  18  -5.513   7.521  -8.086
  127    HA   GLU  18           HA       GLU  18  -3.800   6.255  -6.054
  128   1HB   GLU  18          2HB       GLU  18  -6.564   7.411  -5.866
  129   2HB   GLU  18          1HB       GLU  18  -5.990   6.224  -4.707
  130   1HG   GLU  18          2HG       GLU  18  -3.954   8.070  -4.765
  131   2HG   GLU  18          1HG       GLU  18  -5.406   9.058  -4.916
  132    H    LEU  19           H        LEU  19  -5.547   4.467  -4.960
  133    HA   LEU  19           HA       LEU  19  -6.758   2.966  -7.133
  134   1HB   LEU  19          2HB       LEU  19  -4.176   2.355  -6.058
  135   2HB   LEU  19          1HB       LEU  19  -5.288   1.045  -5.706
  136    HG   LEU  19           HG       LEU  19  -5.906   1.305  -8.230
  137   1HD1  LEU  19          1HD1      LEU  19  -4.088   3.275  -8.140
  138   2HD1  LEU  19          2HD1      LEU  19  -4.544   2.393  -9.594
  139   3HD1  LEU  19          3HD1      LEU  19  -3.102   1.926  -8.694
  140   1HD2  LEU  19          1HD2      LEU  19  -4.524  -0.498  -6.791
  141   2HD2  LEU  19          2HD2      LEU  19  -3.285   0.001  -7.943
  142   3HD2  LEU  19          3HD2      LEU  19  -4.819  -0.642  -8.525
  143    H    ASN  20           H        ASN  20  -8.362   1.629  -6.564
  144    HA   ASN  20           HA       ASN  20  -9.048   1.481  -3.698
  145   1HB   ASN  20          2HB       ASN  20 -11.418   1.164  -4.523
  146   2HB   ASN  20          1HB       ASN  20 -10.736   2.760  -4.820
  147   1HD2  ASN  20          1HD2      ASN  20 -10.242   3.379  -6.912
  148   2HD2  ASN  20          2HD2      ASN  20 -10.831   2.525  -8.293
  149    H    PHE  21           H        PHE  21  -8.268  -0.447  -3.074
  150    HA   PHE  21           HA       PHE  21  -8.941  -2.812  -4.706
  151   1HB   PHE  21          2HB       PHE  21  -6.538  -2.139  -3.055
  152   2HB   PHE  21          1HB       PHE  21  -6.961  -3.818  -3.356
  153    HD1  PHE  21           1HD      PHE  21  -8.073  -2.250  -6.209
  154    HD2  PHE  21           2HD      PHE  21  -4.433  -3.222  -4.228
  155    HE1  PHE  21           1HE      PHE  21  -6.888  -2.186  -8.352
  156    HE2  PHE  21           2HE      PHE  21  -3.255  -3.160  -6.369
  157    HZ   PHE  21           HZ       PHE  21  -4.475  -2.647  -8.425
  158    H    GLU  22           H        GLU  22  -9.172  -4.832  -3.514
  159    HA   GLU  22           HA       GLU  22 -11.155  -4.642  -1.529
  160   1HB   GLU  22          2HB       GLU  22 -10.174  -6.613  -3.220
  161   2HB   GLU  22          1HB       GLU  22  -9.799  -7.220  -1.614
  162   1HG   GLU  22          2HG       GLU  22 -12.277  -6.590  -1.110
  163   2HG   GLU  22          1HG       GLU  22 -12.445  -6.667  -2.864
  164    H    LYS  23           H        LYS  23 -10.338  -6.802   0.216
  165    HA   LYS  23           HA       LYS  23  -9.370  -5.419   2.381
  166   1HB   LYS  23          2HB       LYS  23  -9.843  -7.340   3.402
  167   2HB   LYS  23          1HB       LYS  23 -10.195  -8.023   1.830
  168   1HG   LYS  23          2HG       LYS  23  -8.714  -9.512   2.909
  169   2HG   LYS  23          1HG       LYS  23  -7.786  -8.684   1.663
  170   1HD   LYS  23          2HD       LYS  23  -6.959  -9.016   4.213
  171   2HD   LYS  23          1HD       LYS  23  -6.395  -7.723   3.165
  172   1HE   LYS  23          2HE       LYS  23  -6.983  -6.743   5.252
  173   2HE   LYS  23          1HE       LYS  23  -8.259  -6.310   4.119
  174   1HZ   LYS  23          1HZ       LYS  23  -9.751  -7.301   5.399
  175   2HZ   LYS  23          2HZ       LYS  23  -8.552  -7.546   6.567
  176   3HZ   LYS  23          3HZ       LYS  23  -8.875  -8.749   5.422
  177    H    GLY  24           H        GLY  24  -7.467  -4.844   3.163
  178   1HA   GLY  24          2HA       GLY  24  -5.072  -5.605   1.624
  179   2HA   GLY  24          1HA       GLY  24  -5.261  -4.087   2.491
  180    H    GLU  25           H        GLU  25  -4.534  -7.463   2.744
  181    HA   GLU  25           HA       GLU  25  -4.107  -7.266   5.618
  182   1HB   GLU  25          2HB       GLU  25  -4.890  -9.356   3.883
  183   2HB   GLU  25          1HB       GLU  25  -3.313  -9.800   4.526
  184   1HG   GLU  25          2HG       GLU  25  -4.110  -9.586   6.773
  185   2HG   GLU  25          1HG       GLU  25  -5.657  -8.966   6.202
  186    H    THR  26           H        THR  26  -2.485  -7.152   2.679
  187    HA   THR  26           HA       THR  26  -0.018  -6.459   3.877
  188    HB   THR  26           HB       THR  26   0.994  -8.491   2.371
  189    HG1  THR  26           1HG      THR  26  -1.217  -9.337   2.300
  190   1HG2  THR  26          1HG2      THR  26   1.805  -9.427   4.319
  191   2HG2  THR  26          2HG2      THR  26   0.369  -8.987   5.243
  192   3HG2  THR  26          3HG2      THR  26   1.527  -7.744   4.768
  193    H    MET  27           H        MET  27   1.042  -5.170   2.574
  194    HA   MET  27           HA       MET  27   0.721  -5.366  -0.328
  195   1HB   MET  27          2HB       MET  27   0.031  -3.013   1.390
  196   2HB   MET  27          1HB       MET  27   0.659  -2.741  -0.229
  197   1HG   MET  27          2HG       MET  27  -1.249  -3.368  -1.212
  198   2HG   MET  27          1HG       MET  27  -1.508  -4.702  -0.089
  199   1HE   MET  27          1HE       MET  27  -4.846  -3.191   0.749
  200   2HE   MET  27          2HE       MET  27  -3.881  -4.618   0.368
  201   3HE   MET  27          3HE       MET  27  -4.181  -3.400  -0.871
  202    H    GLU  28           H        GLU  28   2.395  -3.982  -1.462
  203    HA   GLU  28           HA       GLU  28   4.805  -3.697   0.218
  204   1HB   GLU  28          2HB       GLU  28   5.190  -4.362  -2.628
  205   2HB   GLU  28          1HB       GLU  28   6.122  -4.854  -1.229
  206   1HG   GLU  28          2HG       GLU  28   4.472  -6.526  -0.669
  207   2HG   GLU  28          1HG       GLU  28   3.437  -5.983  -1.988
  208    H    VAL  29           H        VAL  29   5.393  -1.671   0.304
  209    HA   VAL  29           HA       VAL  29   4.653   0.171  -1.824
  210    HB   VAL  29           HB       VAL  29   5.587   0.513   1.006
  211   1HG1  VAL  29          1HG1      VAL  29   6.810   2.279   0.264
  212   2HG1  VAL  29          2HG1      VAL  29   5.232   3.064   0.350
  213   3HG1  VAL  29          3HG1      VAL  29   5.843   2.477  -1.198
  214   1HG2  VAL  29          1HG2      VAL  29   3.313   2.018  -0.094
  215   2HG2  VAL  29          2HG2      VAL  29   3.477   1.153   1.436
  216   3HG2  VAL  29          3HG2      VAL  29   3.124   0.264  -0.046
  217    H    ILE  30           H        ILE  30   6.017   1.042  -3.217
  218    HA   ILE  30           HA       ILE  30   8.800   0.186  -3.163
  219    HB   ILE  30           HB       ILE  30   8.692   1.611  -5.438
  220   1HG1  ILE  30          2HG1      ILE  30   6.113   1.908  -4.747
  221   2HG1  ILE  30          1HG1      ILE  30   6.639   1.810  -6.416
  222   1HG2  ILE  30          1HG2      ILE  30   9.445  -0.599  -5.469
  223   2HG2  ILE  30          2HG2      ILE  30   8.049  -0.589  -6.547
  224   3HG2  ILE  30          3HG2      ILE  30   7.894  -1.228  -4.910
  225   1HD1  ILE  30          1HD1      ILE  30   6.099  -0.577  -6.442
  226   2HD1  ILE  30          2HD1      ILE  30   4.699   0.415  -6.049
  227   3HD1  ILE  30          3HD1      ILE  30   5.543  -0.457  -4.774
  228    H    GLU  31           H        GLU  31   7.238   3.285  -4.017
  229    HA   GLU  31           HA       GLU  31   9.520   4.843  -3.495
  230   1HB   GLU  31          2HB       GLU  31   7.513   5.530  -4.862
  231   2HB   GLU  31          1HB       GLU  31   6.650   5.777  -3.350
  232   1HG   GLU  31          2HG       GLU  31   9.208   7.143  -3.396
  233   2HG   GLU  31          1HG       GLU  31   8.148   7.646  -4.712
  234    H    LYS  32           H        LYS  32  10.387   5.545  -1.635
  235    HA   LYS  32           HA       LYS  32   8.827   5.111   0.813
  236   1HB   LYS  32          2HB       LYS  32  11.647   4.702   0.111
  237   2HB   LYS  32          1HB       LYS  32  11.390   5.452   1.679
  238   1HG   LYS  32          2HG       LYS  32  11.555   2.946   1.677
  239   2HG   LYS  32          1HG       LYS  32  10.126   3.621   2.465
  240   1HD   LYS  32          2HD       LYS  32   8.968   3.286   0.192
  241   2HD   LYS  32          1HD       LYS  32  10.338   2.248  -0.197
  242   1HE   LYS  32          2HE       LYS  32   8.433   1.920   2.117
  243   2HE   LYS  32          1HE       LYS  32   8.482   0.935   0.655
  244   1HZ   LYS  32          1HZ       LYS  32  10.578   1.122   2.750
  245   2HZ   LYS  32          2HZ       LYS  32  10.770   0.292   1.290
  246   3HZ   LYS  32          3HZ       LYS  32   9.604  -0.218   2.403
  247    HA   PRO  33           HA       PRO  33   9.087   9.407   1.742
  248   1HB   PRO  33          2HB       PRO  33   8.401   9.306   4.350
  249   2HB   PRO  33          1HB       PRO  33   7.271   8.916   3.052
  250   1HG   PRO  33          2HG       PRO  33   8.559   7.134   4.994
  251   2HG   PRO  33          1HG       PRO  33   7.130   6.849   3.992
  252   1HD   PRO  33          2HD       PRO  33   9.852   5.983   3.549
  253   2HD   PRO  33          1HD       PRO  33   8.392   5.581   2.624
  254    H    GLU  34           H        GLU  34  11.590   7.521   2.494
  255    HA   GLU  34           HA       GLU  34  12.803   8.868   4.677
  256   1HB   GLU  34          2HB       GLU  34  14.880   7.732   3.938
  257   2HB   GLU  34          1HB       GLU  34  13.519   6.633   4.099
  258   1HG   GLU  34          2HG       GLU  34  13.192   6.666   1.688
  259   2HG   GLU  34          1HG       GLU  34  14.535   7.794   1.514
  260    H    ASN  35           H        ASN  35  12.673   9.431   1.251
  261    HA   ASN  35           HA       ASN  35  14.446  11.760   1.591
  262   1HB   ASN  35          2HB       ASN  35  14.718  11.534  -0.963
  263   2HB   ASN  35          1HB       ASN  35  15.561  10.372   0.058
  264   1HD2  ASN  35          1HD2      ASN  35  15.599   8.536  -1.029
  265   2HD2  ASN  35          2HD2      ASN  35  14.237   7.770  -1.768
  266    H    ASP  36           H        ASP  36  11.500  10.520   0.103
  267    HA   ASP  36           HA       ASP  36  10.589  13.303  -0.237
  268   1HB   ASP  36          2HB       ASP  36   9.863  10.950  -1.993
  269   2HB   ASP  36          1HB       ASP  36   9.316  12.611  -2.199
  270    HA   PRO  37           HA       PRO  37   7.491  11.455   2.532
  271   1HB   PRO  37          2HB       PRO  37   6.914  13.668   3.912
  272   2HB   PRO  37          1HB       PRO  37   8.425  12.791   4.185
  273   1HG   PRO  37          2HG       PRO  37   7.940  15.285   2.605
  274   2HG   PRO  37          1HG       PRO  37   9.276  14.898   3.704
  275   1HD   PRO  37          2HD       PRO  37   9.401  14.695   0.953
  276   2HD   PRO  37          1HD       PRO  37  10.446  13.804   2.077
  277    H    GLU  38           H        GLU  38   6.709  11.847  -0.059
  278    HA   GLU  38           HA       GLU  38   4.417  13.665   0.073
  279   1HB   GLU  38          2HB       GLU  38   4.374  12.981  -2.488
  280   2HB   GLU  38          1HB       GLU  38   5.433  14.243  -1.879
  281   1HG   GLU  38          2HG       GLU  38   7.316  13.022  -2.198
  282   2HG   GLU  38          1HG       GLU  38   6.502  11.482  -1.929
  283    H    TRP  39           H        TRP  39   4.738  10.756  -1.926
  284    HA   TRP  39           HA       TRP  39   2.679   9.378  -0.403
  285   1HB   TRP  39          2HB       TRP  39   2.028   9.434  -3.266
  286   2HB   TRP  39          1HB       TRP  39   0.964   9.577  -1.876
  287    HD1  TRP  39           HD       TRP  39   2.942  11.655  -4.378
  288    HE1  TRP  39           1HE      TRP  39   2.215  14.116  -4.189
  289    HE3  TRP  39           3HE      TRP  39   0.027  11.321  -0.190
  290    HZ2  TRP  39           2HZ      TRP  39   0.617  15.706  -2.491
  291    HZ3  TRP  39           3HZ      TRP  39  -1.066  13.360   0.650
  292    HH2  TRP  39           HH       TRP  39  -0.775  15.506  -0.478
  293    H    TRP  40           H        TRP  40   2.482   7.133  -0.962
  294    HA   TRP  40           HA       TRP  40   4.638   6.192  -2.728
  295   1HB   TRP  40          2HB       TRP  40   4.520   4.060  -1.256
  296   2HB   TRP  40          1HB       TRP  40   5.419   5.456  -0.681
  297    HD1  TRP  40           HD       TRP  40   2.025   3.676  -0.084
  298    HE1  TRP  40           1HE      TRP  40   1.310   4.159   2.321
  299    HE3  TRP  40           3HE      TRP  40   5.683   6.992   1.195
  300    HZ2  TRP  40           2HZ      TRP  40   2.166   5.772   4.493
  301    HZ3  TRP  40           3HZ      TRP  40   5.657   7.978   3.447
  302    HH2  TRP  40           HH       TRP  40   3.931   7.378   5.063
  303    H    LYS  41           H        LYS  41   4.219   3.837  -3.383
  304    HA   LYS  41           HA       LYS  41   1.418   3.260  -3.814
  305   1HB   LYS  41          2HB       LYS  41   1.947   2.868  -6.296
  306   2HB   LYS  41          1HB       LYS  41   1.662   4.510  -5.753
  307   1HG   LYS  41          2HG       LYS  41   3.496   4.757  -7.074
  308   2HG   LYS  41          1HG       LYS  41   4.240   4.592  -5.494
  309   1HD   LYS  41          2HD       LYS  41   5.512   3.149  -6.770
  310   2HD   LYS  41          1HD       LYS  41   4.290   2.068  -6.120
  311   1HE   LYS  41          2HE       LYS  41   4.948   2.508  -8.817
  312   2HE   LYS  41          1HE       LYS  41   3.676   1.481  -8.163
  313   1HZ   LYS  41          1HZ       LYS  41   2.713   2.997  -9.707
  314   2HZ   LYS  41          2HZ       LYS  41   3.440   4.331  -8.964
  315   3HZ   LYS  41          3HZ       LYS  41   2.221   3.477  -8.161
  316    H    CYS  42           H        CYS  42   0.981   1.109  -3.986
  317    HA   CYS  42           HA       CYS  42   3.307  -0.675  -4.134
  318   1HB   CYS  42          2HB       CYS  42   2.040  -2.150  -2.471
  319   2HB   CYS  42          1HB       CYS  42   2.767  -0.686  -1.821
  320    HG   CYS  42           HG       CYS  42   0.543  -0.227  -0.919
  321    H    LYS  43           H        LYS  43   2.857  -2.807  -4.931
  322    HA   LYS  43           HA       LYS  43   0.633  -2.831  -6.821
  323   1HB   LYS  43          2HB       LYS  43   2.688  -5.002  -6.634
  324   2HB   LYS  43          1HB       LYS  43   1.805  -4.429  -8.042
  325   1HG   LYS  43          2HG       LYS  43   3.129  -2.276  -7.814
  326   2HG   LYS  43          1HG       LYS  43   4.148  -3.152  -6.670
  327   1HD   LYS  43          2HD       LYS  43   3.577  -4.209  -9.425
  328   2HD   LYS  43          1HD       LYS  43   4.904  -3.087  -9.111
  329   1HE   LYS  43          2HE       LYS  43   6.095  -4.951  -8.730
  330   2HE   LYS  43          1HE       LYS  43   5.298  -4.931  -7.158
  331   1HZ   LYS  43          1HZ       LYS  43   5.254  -7.045  -8.686
  332   2HZ   LYS  43          2HZ       LYS  43   3.928  -6.257  -9.378
  333   3HZ   LYS  43          3HZ       LYS  43   3.922  -6.631  -7.729
  334    H    ASN  44           H        ASN  44  -0.958  -4.361  -6.900
  335    HA   ASN  44           HA       ASN  44  -1.087  -6.176  -4.565
  336   1HB   ASN  44          2HB       ASN  44  -2.730  -4.105  -4.758
  337   2HB   ASN  44          1HB       ASN  44  -3.588  -5.171  -5.858
  338   1HD2  ASN  44          1HD2      ASN  44  -5.342  -5.261  -4.419
  339   2HD2  ASN  44          2HD2      ASN  44  -5.284  -6.207  -2.978
  340    H    ALA  45           H        ALA  45  -2.845  -7.908  -4.993
  341    HA   ALA  45           HA       ALA  45  -1.958  -9.413  -7.212
  342   1HB   ALA  45          1HB       ALA  45  -2.716 -10.894  -5.690
  343   2HB   ALA  45          2HB       ALA  45  -4.266 -10.652  -6.497
  344   3HB   ALA  45          3HB       ALA  45  -3.890  -9.758  -5.023
  345    H    ARG  46           H        ARG  46  -3.789  -6.750  -7.150
  346    HA   ARG  46           HA       ARG  46  -5.830  -7.394  -9.069
  347   1HB   ARG  46          2HB       ARG  46  -4.917  -5.086  -7.467
  348   2HB   ARG  46          1HB       ARG  46  -5.643  -4.682  -9.008
  349   1HG   ARG  46          2HG       ARG  46  -7.218  -4.558  -7.210
  350   2HG   ARG  46          1HG       ARG  46  -7.693  -5.807  -8.361
  351   1HD   ARG  46          2HD       ARG  46  -6.418  -6.175  -5.651
  352   2HD   ARG  46          1HD       ARG  46  -8.071  -6.566  -6.103
  353    HE   ARG  46           HE       ARG  46  -5.779  -8.197  -6.489
  354   1HH1  ARG  46          1HH1      ARG  46  -8.856  -7.347  -7.895
  355   2HH1  ARG  46          2HH1      ARG  46  -9.051  -8.867  -8.701
  356   1HH2  ARG  46          1HH2      ARG  46  -6.030 -10.199  -7.553
  357   2HH2  ARG  46          2HH2      ARG  46  -7.446 -10.486  -8.508
  358    H    GLY  47           H        GLY  47  -2.512  -6.810  -9.156
  359   1HA   GLY  47          2HA       GLY  47  -1.081  -6.635 -10.963
  360   2HA   GLY  47          1HA       GLY  47  -2.482  -6.533 -12.020
  361    H    GLN  48           H        GLN  48  -3.139  -4.301  -9.779
  362    HA   GLN  48           HA       GLN  48  -1.722  -2.174 -11.216
  363   1HB   GLN  48          2HB       GLN  48  -3.889  -0.877 -10.231
  364   2HB   GLN  48          1HB       GLN  48  -3.749  -1.523 -11.838
  365   1HG   GLN  48          2HG       GLN  48  -4.714  -3.567 -10.118
  366   2HG   GLN  48          1HG       GLN  48  -5.675  -2.105  -9.907
  367   1HE2  GLN  48          1HE2      GLN  48  -7.484  -2.458 -10.994
  368   2HE2  GLN  48          2HE2      GLN  48  -7.586  -2.967 -12.641
  369    H    VAL  49           H        VAL  49  -0.783  -0.557 -10.087
  370    HA   VAL  49           HA       VAL  49  -1.102  -0.636  -7.163
  371    HB   VAL  49           HB       VAL  49   1.050  -1.338  -7.177
  372   1HG1  VAL  49          1HG1      VAL  49   1.411  -1.762  -9.410
  373   2HG1  VAL  49          2HG1      VAL  49   2.704  -0.648  -8.958
  374   3HG1  VAL  49          3HG1      VAL  49   1.298  -0.057  -9.843
  375   1HG2  VAL  49          1HG2      VAL  49   1.700   1.527  -7.761
  376   2HG2  VAL  49          2HG2      VAL  49   2.545   0.410  -6.688
  377   3HG2  VAL  49          3HG2      VAL  49   0.945   1.012  -6.254
  378    H    GLY  50           H        GLY  50  -1.741   1.203  -6.297
  379   1HA   GLY  50          2HA       GLY  50  -1.418   3.665  -7.889
  380   2HA   GLY  50          1HA       GLY  50  -2.827   3.335  -6.910
  381    H    LEU  51           H        LEU  51  -2.210   5.496  -6.107
  382    HA   LEU  51           HA       LEU  51   0.034   5.493  -4.259
  383   1HB   LEU  51          2HB       LEU  51  -1.672   7.530  -5.497
  384   2HB   LEU  51          1HB       LEU  51  -1.275   7.859  -3.824
  385    HG   LEU  51           HG       LEU  51   0.923   8.261  -4.273
  386   1HD1  LEU  51          1HD1      LEU  51   0.648   6.123  -6.300
  387   2HD1  LEU  51          2HD1      LEU  51   1.855   6.339  -5.032
  388   3HD1  LEU  51          3HD1      LEU  51   1.939   7.308  -6.504
  389   1HD2  LEU  51          1HD2      LEU  51   1.074   9.712  -6.051
  390   2HD2  LEU  51          2HD2      LEU  51  -0.671   9.624  -5.803
  391   3HD2  LEU  51          3HD2      LEU  51   0.085   8.694  -7.097
  392    H    VAL  52           H        VAL  52  -0.108   5.122  -2.158
  393    HA   VAL  52           HA       VAL  52  -2.776   5.127  -0.919
  394    HB   VAL  52           HB       VAL  52  -2.280   2.833  -1.425
  395   1HG1  VAL  52          1HG1      VAL  52  -0.270   1.740  -0.890
  396   2HG1  VAL  52          2HG1      VAL  52   0.249   3.036   0.183
  397   3HG1  VAL  52          3HG1      VAL  52   0.224   3.292  -1.562
  398   1HG2  VAL  52          1HG2      VAL  52  -1.727   3.334   1.504
  399   2HG2  VAL  52          2HG2      VAL  52  -2.356   1.847   0.797
  400   3HG2  VAL  52          3HG2      VAL  52  -3.326   3.317   0.765
  401    HA   PRO  53           HA       PRO  53  -0.545   7.241   2.379
  402   1HB   PRO  53          2HB       PRO  53  -2.633   7.914   3.831
  403   2HB   PRO  53          1HB       PRO  53  -2.528   8.552   2.177
  404   1HG   PRO  53          2HG       PRO  53  -3.973   6.094   3.129
  405   2HG   PRO  53          1HG       PRO  53  -4.663   7.474   2.243
  406   1HD   PRO  53          2HD       PRO  53  -3.851   5.218   1.007
  407   2HD   PRO  53          1HD       PRO  53  -3.658   6.815   0.252
  408    H    LYS  54           H        LYS  54   0.528   5.314   3.184
  409    HA   LYS  54           HA       LYS  54  -0.827   3.310   4.631
  410   1HB   LYS  54          2HB       LYS  54   2.018   3.978   4.161
  411   2HB   LYS  54          1HB       LYS  54   1.649   2.955   5.528
  412   1HG   LYS  54          2HG       LYS  54   2.113   2.075   3.016
  413   2HG   LYS  54          1HG       LYS  54   1.227   1.192   4.251
  414   1HD   LYS  54          2HD       LYS  54  -0.885   2.040   3.364
  415   2HD   LYS  54          1HD       LYS  54  -0.008   2.970   2.150
  416   1HE   LYS  54          2HE       LYS  54  -0.606   1.099   0.952
  417   2HE   LYS  54          1HE       LYS  54   1.001   0.650   1.517
  418   1HZ   LYS  54          1HZ       LYS  54  -1.615  -0.378   2.325
  419   2HZ   LYS  54          2HZ       LYS  54  -0.410  -0.301   3.508
  420   3HZ   LYS  54          3HZ       LYS  54  -0.153  -1.199   2.099
  421    H    ASN  55           H        ASN  55  -0.150   6.454   5.547
  422    HA   ASN  55           HA       ASN  55   0.651   6.377   8.159
  423   1HB   ASN  55          2HB       ASN  55   0.142   8.445   6.900
  424   2HB   ASN  55          1HB       ASN  55  -1.577   8.103   7.060
  425   1HD2  ASN  55          1HD2      ASN  55   1.338   9.000   8.750
  426   2HD2  ASN  55          2HD2      ASN  55   0.562   9.618  10.165
  427    H    TYR  56           H        TYR  56  -2.278   5.070   6.873
  428    HA   TYR  56           HA       TYR  56  -3.454   4.821   9.552
  429   1HB   TYR  56          2HB       TYR  56  -5.541   4.449   8.515
  430   2HB   TYR  56          1HB       TYR  56  -4.787   5.723   7.571
  431    HD1  TYR  56           1HD      TYR  56  -5.656   2.132   7.590
  432    HD2  TYR  56           2HD      TYR  56  -4.280   5.421   5.269
  433    HE1  TYR  56           1HE      TYR  56  -6.010   0.825   5.540
  434    HE2  TYR  56           2HE      TYR  56  -4.630   4.122   3.212
  435    HH   TYR  56           HH       TYR  56  -6.349   1.155   3.184
  436    H    VAL  57           H        VAL  57  -1.250   3.206   8.046
  437    HA   VAL  57           HA       VAL  57  -2.288   0.553   8.815
  438    HB   VAL  57           HB       VAL  57  -1.658  -0.432   6.851
  439   1HG1  VAL  57          1HG1      VAL  57  -2.173   2.396   5.977
  440   2HG1  VAL  57          2HG1      VAL  57  -3.370   1.123   6.208
  441   3HG1  VAL  57          3HG1      VAL  57  -2.189   0.996   4.905
  442   1HG2  VAL  57          1HG2      VAL  57   0.039   0.475   5.284
  443   2HG2  VAL  57          2HG2      VAL  57   0.674   0.082   6.879
  444   3HG2  VAL  57          3HG2      VAL  57   0.354   1.760   6.446
  445    H    VAL  58           H        VAL  58  -0.322  -1.037   8.763
  446    HA   VAL  58           HA       VAL  58   1.919   0.262  10.165
  447    HB   VAL  58           HB       VAL  58   0.722  -1.394  11.542
  448   1HG1  VAL  58          1HG1      VAL  58   1.653  -3.722  10.027
  449   2HG1  VAL  58          2HG1      VAL  58   0.375  -2.799   9.239
  450   3HG1  VAL  58          3HG1      VAL  58   0.124  -3.444  10.861
  451   1HG2  VAL  58          1HG2      VAL  58   2.606  -2.328  12.450
  452   2HG2  VAL  58          2HG2      VAL  58   3.330  -1.072  11.446
  453   3HG2  VAL  58          3HG2      VAL  58   3.294  -2.741  10.880
  454    H    VAL  59           H        VAL  59   3.596   0.544   8.833
  455    HA   VAL  59           HA       VAL  59   3.857  -0.903   6.394
  456    HB   VAL  59           HB       VAL  59   5.954   0.850   7.664
  457   1HG1  VAL  59          1HG1      VAL  59   6.079   1.117   4.928
  458   2HG1  VAL  59          2HG1      VAL  59   5.710  -0.598   5.139
  459   3HG1  VAL  59          3HG1      VAL  59   7.135   0.095   5.911
  460   1HG2  VAL  59          1HG2      VAL  59   4.801   2.408   5.790
  461   2HG2  VAL  59          2HG2      VAL  59   4.342   2.427   7.492
  462   3HG2  VAL  59          3HG2      VAL  59   3.398   1.489   6.336
  463    H    LEU  60           H        LEU  60   5.391  -2.322   5.738
  464    HA   LEU  60           HA       LEU  60   6.617  -3.909   7.820
  465   1HB   LEU  60          2HB       LEU  60   5.312  -4.460   5.314
  466   2HB   LEU  60          1HB       LEU  60   6.930  -5.132   5.302
  467    HG   LEU  60           HG       LEU  60   6.466  -6.573   7.102
  468   1HD1  LEU  60          1HD1      LEU  60   3.998  -6.310   8.094
  469   2HD1  LEU  60          2HD1      LEU  60   4.332  -4.621   7.709
  470   3HD1  LEU  60          3HD1      LEU  60   5.405  -5.508   8.792
  471   1HD2  LEU  60          1HD2      LEU  60   5.469  -7.696   5.399
  472   2HD2  LEU  60          2HD2      LEU  60   4.370  -6.370   5.022
  473   3HD2  LEU  60          3HD2      LEU  60   4.038  -7.427   6.393
  474    H    SER  61           H        SER  61   8.740  -4.722   7.364
  475    HA   SER  61           HA       SER  61  10.973  -4.459   7.012
  476   1HB   SER  61          2HB       SER  61  10.065  -4.628   4.600
  477   2HB   SER  61          1HB       SER  61  10.313  -2.883   4.532
  478    HG   SER  61           HG       SER  61  12.185  -3.769   3.815
  Start of MODEL   10
    1   1H    GLY   1          1HT       GLY   1  13.518 -11.039   4.281
    2   2H    GLY   1          2HT       GLY   1  13.456  -9.366   4.517
    3   3H    GLY   1          3HT       GLY   1  14.732 -10.264   5.168
    4   1HA   GLY   1          1HA       GLY   1  15.836  -9.553   3.358
    5   2HA   GLY   1          2HA       GLY   1  15.021 -10.925   2.624
    6    H    SER   2           H        SER   2  12.394  -9.774   2.653
    7    HA   SER   2           HA       SER   2  12.741  -7.823   0.480
    8   1HB   SER   2          2HB       SER   2  11.162 -10.170   0.691
    9   2HB   SER   2          1HB       SER   2  10.041  -8.804   0.662
   10    HG   SER   2           HG       SER   2  10.813  -8.207  -1.297
   11    H    HIS   3           H        HIS   3  11.752  -5.853   0.539
   12    HA   HIS   3           HA       HIS   3  10.762  -4.983   3.116
   13   1HB   HIS   3          2HB       HIS   3  10.326  -2.889   1.316
   14   2HB   HIS   3          1HB       HIS   3  11.673  -3.061   2.428
   15    HD1  HIS   3           1HD      HIS   3  13.790  -4.457   1.329
   16    HD2  HIS   3           2HD      HIS   3  11.063  -2.712  -1.276
   17    HE1  HIS   3           1HE      HIS   3  14.968  -4.325  -0.889
   18    HE2  HIS   3           2HE      HIS   3  13.318  -3.216  -2.437
   19    H    VAL   4           H        VAL   4   8.738  -5.277   3.687
   20    HA   VAL   4           HA       VAL   4   6.660  -5.082   1.604
   21    HB   VAL   4           HB       VAL   4   5.955  -6.851   3.830
   22   1HG1  VAL   4          1HG1      VAL   4   4.690  -7.843   2.254
   23   2HG1  VAL   4          2HG1      VAL   4   5.981  -7.822   1.055
   24   3HG1  VAL   4          3HG1      VAL   4   5.022  -6.370   1.344
   25   1HG2  VAL   4          1HG2      VAL   4   8.231  -7.597   2.004
   26   2HG2  VAL   4          2HG2      VAL   4   7.288  -8.763   2.932
   27   3HG2  VAL   4          3HG2      VAL   4   8.241  -7.537   3.767
   28    H    VAL   5           H        VAL   5   4.454  -4.761   2.562
   29    HA   VAL   5           HA       VAL   5   4.571  -3.223   5.046
   30    HB   VAL   5           HB       VAL   5   4.443  -1.346   3.849
   31   1HG1  VAL   5          1HG1      VAL   5   4.695  -1.409   1.673
   32   2HG1  VAL   5          2HG1      VAL   5   3.003  -1.837   1.456
   33   3HG1  VAL   5          3HG1      VAL   5   4.211  -3.096   1.659
   34   1HG2  VAL   5          1HG2      VAL   5   2.113  -0.663   3.172
   35   2HG2  VAL   5          2HG2      VAL   5   2.314  -1.199   4.838
   36   3HG2  VAL   5          3HG2      VAL   5   1.596  -2.279   3.647
   37    H    GLN   6           H        GLN   6   2.484  -2.848   6.040
   38    HA   GLN   6           HA       GLN   6   0.567  -5.001   5.421
   39   1HB   GLN   6          2HB       GLN   6   2.196  -5.015   7.595
   40   2HB   GLN   6          1HB       GLN   6   0.809  -4.143   8.238
   41   1HG   GLN   6          2HG       GLN   6  -0.632  -5.943   7.919
   42   2HG   GLN   6          1HG       GLN   6   0.473  -6.740   6.802
   43   1HE2  GLN   6          1HE2      GLN   6   1.770  -8.266   7.582
   44   2HE2  GLN   6          2HE2      GLN   6   2.061  -8.577   9.256
   45    H    THR   7           H        THR   7  -1.632  -4.522   5.689
   46    HA   THR   7           HA       THR   7  -2.171  -1.659   6.188
   47    HB   THR   7           HB       THR   7  -4.381  -2.719   4.841
   48    HG1  THR   7           1HG      THR   7  -1.990  -3.471   3.521
   49   1HG2  THR   7          1HG2      THR   7  -2.153  -0.895   4.125
   50   2HG2  THR   7          2HG2      THR   7  -3.884  -0.579   4.239
   51   3HG2  THR   7          3HG2      THR   7  -3.238  -1.458   2.855
   52    H    LEU   8           H        LEU   8  -3.735  -1.052   7.546
   53    HA   LEU   8           HA       LEU   8  -4.941  -3.163   9.191
   54   1HB   LEU   8          2HB       LEU   8  -4.737  -0.269   9.940
   55   2HB   LEU   8          1HB       LEU   8  -4.927  -1.653  10.992
   56    HG   LEU   8           HG       LEU   8  -2.726  -0.854  11.301
   57   1HD1  LEU   8          1HD1      LEU   8  -3.193  -3.418  10.579
   58   2HD1  LEU   8          2HD1      LEU   8  -1.649  -2.812  11.178
   59   3HD1  LEU   8          3HD1      LEU   8  -1.924  -2.962   9.442
   60   1HD2  LEU   8          1HD2      LEU   8  -1.294  -0.097   9.734
   61   2HD2  LEU   8          2HD2      LEU   8  -2.839   0.308   8.985
   62   3HD2  LEU   8          3HD2      LEU   8  -1.958  -1.134   8.470
   63    H    TYR   9           H        TYR   9  -5.616   0.024   7.776
   64    HA   TYR   9           HA       TYR   9  -8.480  -0.363   8.185
   65   1HB   TYR   9          2HB       TYR   9  -6.790   1.986   7.356
   66   2HB   TYR   9          1HB       TYR   9  -8.539   2.017   7.183
   67    HD1  TYR   9           1HD      TYR   9  -5.802   2.583   9.378
   68    HD2  TYR   9           2HD      TYR   9  -9.928   1.547   9.312
   69    HE1  TYR   9           1HE      TYR   9  -6.008   3.277  11.728
   70    HE2  TYR   9           2HE      TYR   9 -10.146   2.241  11.661
   71    HH   TYR   9           HH       TYR   9  -7.660   2.626  13.703
   72    HA   PRO  10           HA       PRO  10  -9.699  -1.522   4.123
   73   1HB   PRO  10          2HB       PRO  10 -11.481   0.510   3.447
   74   2HB   PRO  10          1HB       PRO  10 -11.884  -0.942   4.366
   75   1HG   PRO  10          2HG       PRO  10 -11.252   1.809   5.344
   76   2HG   PRO  10          1HG       PRO  10 -12.455   0.652   5.943
   77   1HD   PRO  10          2HD       PRO  10 -10.155   1.038   7.242
   78   2HD   PRO  10          1HD       PRO  10 -10.865  -0.585   7.109
   79    H    PHE  11           H        PHE  11 -10.351  -0.127   1.888
   80    HA   PHE  11           HA       PHE  11  -7.872   1.361   1.339
   81   1HB   PHE  11          2HB       PHE  11  -8.086   0.669  -0.962
   82   2HB   PHE  11          1HB       PHE  11  -8.244  -0.751   0.065
   83    HD1  PHE  11           1HD      PHE  11 -10.019   1.575  -2.141
   84    HD2  PHE  11           2HD      PHE  11 -10.310  -1.959   0.212
   85    HE1  PHE  11           1HE      PHE  11 -12.162   1.037  -3.223
   86    HE2  PHE  11           2HE      PHE  11 -12.453  -2.504  -0.866
   87    HZ   PHE  11           HZ       PHE  11 -13.383  -1.006  -2.585
   88    H    SER  12           H        SER  12  -7.965   3.437   0.794
   89    HA   SER  12           HA       SER  12 -10.516   4.537  -0.171
   90   1HB   SER  12          2HB       SER  12 -10.489   5.289   2.063
   91   2HB   SER  12          1HB       SER  12  -8.750   5.584   2.034
   92    HG   SER  12           HG       SER  12 -10.612   7.019   0.450
   93    H    SER  13           H        SER  13 -10.231   5.369  -2.144
   94    HA   SER  13           HA       SER  13  -7.873   6.993  -2.668
   95   1HB   SER  13          2HB       SER  13  -8.406   4.359  -3.908
   96   2HB   SER  13          1HB       SER  13  -7.884   5.641  -5.000
   97    HG   SER  13           HG       SER  13  -6.496   4.353  -2.975
   98    H    VAL  14           H        VAL  14  -8.454   8.800  -3.657
   99    HA   VAL  14           HA       VAL  14 -10.703   8.760  -5.535
  100    HB   VAL  14           HB       VAL  14 -11.578  10.852  -4.607
  101   1HG1  VAL  14          1HG1      VAL  14 -12.079   8.379  -3.744
  102   2HG1  VAL  14          2HG1      VAL  14 -12.884   9.802  -3.082
  103   3HG1  VAL  14          3HG1      VAL  14 -11.511   9.091  -2.234
  104   1HG2  VAL  14          1HG2      VAL  14  -9.651  11.826  -3.605
  105   2HG2  VAL  14          2HG2      VAL  14  -9.437  10.444  -2.531
  106   3HG2  VAL  14          3HG2      VAL  14 -10.812  11.525  -2.313
  107    H    THR  15           H        THR  15  -7.530   9.595  -4.975
  108    HA   THR  15           HA       THR  15  -7.552  11.990  -6.633
  109    HB   THR  15           HB       THR  15  -5.086  10.636  -5.570
  110    HG1  THR  15           1HG      THR  15  -6.529  10.908  -3.825
  111   1HG2  THR  15          1HG2      THR  15  -4.513  13.144  -5.250
  112   2HG2  THR  15          2HG2      THR  15  -5.787  13.396  -6.442
  113   3HG2  THR  15          3HG2      THR  15  -4.384  12.409  -6.847
  114    H    GLU  16           H        GLU  16  -5.801  12.123  -8.358
  115    HA   GLU  16           HA       GLU  16  -6.319  10.155 -10.325
  116   1HB   GLU  16          2HB       GLU  16  -5.199  12.740 -10.237
  117   2HB   GLU  16          1HB       GLU  16  -3.969  11.700 -10.941
  118   1HG   GLU  16          2HG       GLU  16  -6.304  10.944 -12.219
  119   2HG   GLU  16          1HG       GLU  16  -6.430  12.697 -12.079
  120    H    GLU  17           H        GLU  17  -3.588  10.738  -8.170
  121    HA   GLU  17           HA       GLU  17  -2.111   8.515  -9.348
  122   1HB   GLU  17          2HB       GLU  17  -1.203  10.042  -6.927
  123   2HB   GLU  17          1HB       GLU  17  -0.237   9.230  -8.148
  124   1HG   GLU  17          2HG       GLU  17  -0.026  11.095  -9.306
  125   2HG   GLU  17          1HG       GLU  17  -1.773  11.316  -9.370
  126    H    GLU  18           H        GLU  18  -4.661   8.380  -7.622
  127    HA   GLU  18           HA       GLU  18  -3.652   6.635  -5.499
  128   1HB   GLU  18          2HB       GLU  18  -6.082   8.297  -5.847
  129   2HB   GLU  18          1HB       GLU  18  -6.247   6.811  -4.929
  130   1HG   GLU  18          2HG       GLU  18  -4.266   7.615  -3.557
  131   2HG   GLU  18          1HG       GLU  18  -4.507   9.179  -4.334
  132    H    LEU  19           H        LEU  19  -5.602   4.917  -4.995
  133    HA   LEU  19           HA       LEU  19  -6.697   3.755  -7.395
  134   1HB   LEU  19          2HB       LEU  19  -4.131   2.934  -6.472
  135   2HB   LEU  19          1HB       LEU  19  -5.253   1.617  -6.218
  136    HG   LEU  19           HG       LEU  19  -5.941   2.052  -8.672
  137   1HD1  LEU  19          1HD1      LEU  19  -3.480   2.721  -9.685
  138   2HD1  LEU  19          2HD1      LEU  19  -3.697   3.849  -8.349
  139   3HD1  LEU  19          3HD1      LEU  19  -4.904   3.760  -9.629
  140   1HD2  LEU  19          1HD2      LEU  19  -3.231   0.907  -8.600
  141   2HD2  LEU  19          2HD2      LEU  19  -4.740   0.213  -9.194
  142   3HD2  LEU  19          3HD2      LEU  19  -4.392   0.218  -7.466
  143    H    ASN  20           H        ASN  20  -8.420   2.480  -6.994
  144    HA   ASN  20           HA       ASN  20  -8.995   1.891  -4.165
  145   1HB   ASN  20          2HB       ASN  20 -11.396   1.728  -4.952
  146   2HB   ASN  20          1HB       ASN  20 -10.689   3.340  -5.031
  147   1HD2  ASN  20          1HD2      ASN  20 -12.862   1.826  -6.540
  148   2HD2  ASN  20          2HD2      ASN  20 -12.496   2.137  -8.200
  149    H    PHE  21           H        PHE  21  -8.191  -0.089  -3.867
  150    HA   PHE  21           HA       PHE  21  -9.301  -2.258  -5.510
  151   1HB   PHE  21          2HB       PHE  21  -6.998  -3.418  -5.094
  152   2HB   PHE  21          1HB       PHE  21  -7.157  -2.250  -6.395
  153    HD1  PHE  21           1HD      PHE  21  -6.800  -1.513  -2.771
  154    HD2  PHE  21           2HD      PHE  21  -4.971  -1.487  -6.611
  155    HE1  PHE  21           1HE      PHE  21  -4.918  -0.226  -1.858
  156    HE2  PHE  21           2HE      PHE  21  -3.082  -0.199  -5.704
  157    HZ   PHE  21           HZ       PHE  21  -3.053   0.432  -3.324
  158    H    GLU  22           H        GLU  22  -9.191  -4.411  -4.339
  159    HA   GLU  22           HA       GLU  22 -10.134  -4.042  -1.670
  160   1HB   GLU  22          2HB       GLU  22  -9.549  -6.458  -3.348
  161   2HB   GLU  22          1HB       GLU  22  -9.992  -6.620  -1.657
  162   1HG   GLU  22          2HG       GLU  22 -12.063  -6.772  -2.520
  163   2HG   GLU  22          1HG       GLU  22 -11.964  -5.013  -2.458
  164    H    LYS  23           H        LYS  23  -8.624  -3.229  -0.352
  165    HA   LYS  23           HA       LYS  23  -5.927  -4.167  -0.266
  166   1HB   LYS  23          2HB       LYS  23  -6.642  -1.845   0.337
  167   2HB   LYS  23          1HB       LYS  23  -7.362  -2.501   1.801
  168   1HG   LYS  23          2HG       LYS  23  -5.095  -1.489   2.092
  169   2HG   LYS  23          1HG       LYS  23  -5.246  -3.154   2.654
  170   1HD   LYS  23          2HD       LYS  23  -3.147  -2.707   1.393
  171   2HD   LYS  23          1HD       LYS  23  -4.140  -3.979   0.686
  172   1HE   LYS  23          2HE       LYS  23  -5.075  -2.263  -0.877
  173   2HE   LYS  23          1HE       LYS  23  -3.888  -1.124  -0.244
  174   1HZ   LYS  23          1HZ       LYS  23  -2.360  -3.243  -0.884
  175   2HZ   LYS  23          2HZ       LYS  23  -2.614  -1.906  -1.888
  176   3HZ   LYS  23          3HZ       LYS  23  -3.539  -3.307  -2.096
  177    H    GLY  24           H        GLY  24  -4.978  -5.620   1.031
  178   1HA   GLY  24          2HA       GLY  24  -6.742  -7.117   2.855
  179   2HA   GLY  24          1HA       GLY  24  -5.301  -7.767   2.081
  180    H    GLU  25           H        GLU  25  -4.688  -8.414   4.265
  181    HA   GLU  25           HA       GLU  25  -3.872  -6.255   6.028
  182   1HB   GLU  25          2HB       GLU  25  -4.988  -8.693   6.558
  183   2HB   GLU  25          1HB       GLU  25  -3.281  -9.010   6.854
  184   1HG   GLU  25          2HG       GLU  25  -3.150  -7.340   8.493
  185   2HG   GLU  25          1HG       GLU  25  -4.705  -6.658   8.026
  186    H    THR  26           H        THR  26  -2.525  -6.948   3.458
  187    HA   THR  26           HA       THR  26   0.141  -6.602   4.339
  188    HB   THR  26           HB       THR  26   0.915  -8.732   3.043
  189    HG1  THR  26           1HG      THR  26  -0.833  -9.777   2.446
  190   1HG2  THR  26          1HG2      THR  26   1.064  -8.170   5.588
  191   2HG2  THR  26          2HG2      THR  26   1.381  -9.803   5.000
  192   3HG2  THR  26          3HG2      THR  26  -0.182  -9.412   5.718
  193    H    MET  27           H        MET  27   1.058  -5.390   2.916
  194    HA   MET  27           HA       MET  27   0.664  -5.832   0.061
  195   1HB   MET  27          2HB       MET  27   0.046  -3.643  -0.459
  196   2HB   MET  27          1HB       MET  27  -0.891  -3.980   0.988
  197   1HG   MET  27          2HG       MET  27   1.458  -2.918   1.963
  198   2HG   MET  27          1HG       MET  27   1.146  -1.978   0.508
  199   1HE   MET  27          1HE       MET  27  -2.495  -0.766   1.132
  200   2HE   MET  27          2HE       MET  27  -1.500  -1.668  -0.012
  201   3HE   MET  27          3HE       MET  27  -1.034  -0.036   0.468
  202    H    GLU  28           H        GLU  28   2.345  -4.580  -1.223
  203    HA   GLU  28           HA       GLU  28   4.824  -4.306   0.374
  204   1HB   GLU  28          2HB       GLU  28   4.650  -5.210  -2.485
  205   2HB   GLU  28          1HB       GLU  28   6.074  -5.202  -1.467
  206   1HG   GLU  28          2HG       GLU  28   5.624  -7.236  -0.720
  207   2HG   GLU  28          1HG       GLU  28   3.992  -6.761  -0.254
  208    H    VAL  29           H        VAL  29   5.601  -2.284   0.326
  209    HA   VAL  29           HA       VAL  29   4.726  -0.496  -1.817
  210    HB   VAL  29           HB       VAL  29   5.830   0.026   0.930
  211   1HG1  VAL  29          1HG1      VAL  29   5.472   1.997  -1.318
  212   2HG1  VAL  29          2HG1      VAL  29   6.946   1.648  -0.416
  213   3HG1  VAL  29          3HG1      VAL  29   5.599   2.461   0.379
  214   1HG2  VAL  29          1HG2      VAL  29   3.405   1.359  -0.072
  215   2HG2  VAL  29          2HG2      VAL  29   3.733   0.618   1.495
  216   3HG2  VAL  29          3HG2      VAL  29   3.297  -0.391   0.115
  217    H    ILE  30           H        ILE  30   6.023   0.257  -3.316
  218    HA   ILE  30           HA       ILE  30   8.751  -0.674  -3.453
  219    HB   ILE  30           HB       ILE  30   8.623   0.885  -5.616
  220   1HG1  ILE  30          2HG1      ILE  30   6.178   1.460  -4.711
  221   2HG1  ILE  30          1HG1      ILE  30   6.538   1.372  -6.423
  222   1HG2  ILE  30          1HG2      ILE  30   9.096  -1.411  -5.801
  223   2HG2  ILE  30          2HG2      ILE  30   7.693  -1.124  -6.831
  224   3HG2  ILE  30          3HG2      ILE  30   7.486  -1.868  -5.246
  225   1HD1  ILE  30          1HD1      ILE  30   4.451   0.239  -5.848
  226   2HD1  ILE  30          2HD1      ILE  30   5.346  -0.855  -4.797
  227   3HD1  ILE  30          3HD1      ILE  30   5.640  -0.865  -6.535
  228    H    GLU  31           H        GLU  31   7.732   2.570  -4.444
  229    HA   GLU  31           HA       GLU  31  10.130   3.750  -3.531
  230   1HB   GLU  31          2HB       GLU  31   9.092   5.880  -4.138
  231   2HB   GLU  31          1HB       GLU  31   8.840   4.676  -5.395
  232   1HG   GLU  31          2HG       GLU  31   6.574   4.261  -4.292
  233   2HG   GLU  31          1HG       GLU  31   6.862   5.771  -3.429
  234    H    LYS  32           H        LYS  32  10.512   5.149  -1.811
  235    HA   LYS  32           HA       LYS  32   8.612   4.870   0.417
  236   1HB   LYS  32          2HB       LYS  32  11.575   4.845   0.245
  237   2HB   LYS  32          1HB       LYS  32  10.871   5.604   1.664
  238   1HG   LYS  32          2HG       LYS  32  11.483   3.132   1.809
  239   2HG   LYS  32          1HG       LYS  32   9.892   3.620   2.394
  240   1HD   LYS  32          2HD       LYS  32   8.933   2.938   0.209
  241   2HD   LYS  32          1HD       LYS  32  10.526   2.355  -0.275
  242   1HE   LYS  32          2HE       LYS  32   9.443   1.371   2.301
  243   2HE   LYS  32          1HE       LYS  32   8.675   0.777   0.829
  244   1HZ   LYS  32          1HZ       LYS  32  10.880   0.087   0.042
  245   2HZ   LYS  32          2HZ       LYS  32  10.446  -0.692   1.480
  246   3HZ   LYS  32          3HZ       LYS  32  11.560   0.581   1.512
  247    HA   PRO  33           HA       PRO  33   7.977   9.205   0.666
  248   1HB   PRO  33          2HB       PRO  33   8.285   9.183   3.580
  249   2HB   PRO  33          1HB       PRO  33   6.842   9.484   2.610
  250   1HG   PRO  33          2HG       PRO  33   7.154   7.231   4.060
  251   2HG   PRO  33          1HG       PRO  33   6.271   7.256   2.523
  252   1HD   PRO  33          2HD       PRO  33   9.062   6.334   3.093
  253   2HD   PRO  33          1HD       PRO  33   7.827   5.611   2.040
  254    H    GLU  34           H        GLU  34  10.921   7.908   1.500
  255    HA   GLU  34           HA       GLU  34  12.260  10.007   2.772
  256   1HB   GLU  34          2HB       GLU  34  14.325   9.003   1.819
  257   2HB   GLU  34          1HB       GLU  34  13.278   7.827   2.601
  258   1HG   GLU  34          2HG       GLU  34  12.414   7.164   0.395
  259   2HG   GLU  34          1HG       GLU  34  13.533   8.298  -0.359
  260    H    ASN  35           H        ASN  35  11.836   9.300  -0.673
  261    HA   ASN  35           HA       ASN  35  12.861  11.984  -1.306
  262   1HB   ASN  35          2HB       ASN  35  12.987  11.036  -3.674
  263   2HB   ASN  35          1HB       ASN  35  14.125  10.375  -2.505
  264   1HD2  ASN  35          1HD2      ASN  35  14.303   8.567  -3.927
  265   2HD2  ASN  35          2HD2      ASN  35  13.110   7.317  -3.899
  266    H    ASP  36           H        ASP  36  10.142   9.831  -1.561
  267    HA   ASP  36           HA       ASP  36   8.626  11.396  -3.401
  268   1HB   ASP  36          2HB       ASP  36   8.104   9.070  -3.237
  269   2HB   ASP  36          1HB       ASP  36   7.913   9.168  -1.490
  270    HA   PRO  37           HA       PRO  37   6.955  14.765  -1.107
  271   1HB   PRO  37          2HB       PRO  37   4.212  14.041  -1.498
  272   2HB   PRO  37          1HB       PRO  37   5.148  15.260  -2.361
  273   1HG   PRO  37          2HG       PRO  37   4.534  12.465  -3.123
  274   2HG   PRO  37          1HG       PRO  37   4.868  13.869  -4.154
  275   1HD   PRO  37          2HD       PRO  37   6.668  11.913  -3.853
  276   2HD   PRO  37          1HD       PRO  37   7.174  13.611  -3.963
  277    H    GLU  38           H        GLU  38   4.397  12.346  -0.594
  278    HA   GLU  38           HA       GLU  38   5.253  11.775   2.092
  279   1HB   GLU  38          2HB       GLU  38   4.127  14.093   2.114
  280   2HB   GLU  38          1HB       GLU  38   2.628  13.207   1.867
  281   1HG   GLU  38          2HG       GLU  38   2.559  12.483   3.982
  282   2HG   GLU  38          1HG       GLU  38   4.295  12.181   4.043
  283    H    TRP  39           H        TRP  39   4.063  10.594  -0.563
  284    HA   TRP  39           HA       TRP  39   2.414   8.623   0.838
  285   1HB   TRP  39          2HB       TRP  39   1.640   9.793  -1.841
  286   2HB   TRP  39          1HB       TRP  39   0.738   8.603  -0.906
  287    HD1  TRP  39           HD       TRP  39   0.577   9.900   1.893
  288    HE1  TRP  39           1HE      TRP  39  -0.714  12.093   2.281
  289    HE3  TRP  39           3HE      TRP  39   0.580  11.695  -2.891
  290    HZ2  TRP  39           2HZ      TRP  39  -1.612  14.293   0.756
  291    HZ3  TRP  39           3HZ      TRP  39  -0.518  13.850  -3.345
  292    HH2  TRP  39           HH       TRP  39  -1.590  15.120  -1.557
  293    H    TRP  40           H        TRP  40   2.512   6.538   0.004
  294    HA   TRP  40           HA       TRP  40   4.603   6.137  -2.027
  295   1HB   TRP  40          2HB       TRP  40   4.780   3.823  -0.962
  296   2HB   TRP  40          1HB       TRP  40   5.394   5.181  -0.027
  297    HD1  TRP  40           HD       TRP  40   1.674   4.243  -0.199
  298    HE1  TRP  40           1HE      TRP  40   0.883   3.561   2.162
  299    HE3  TRP  40           3HE      TRP  40   6.164   4.388   2.200
  300    HZ2  TRP  40           2HZ      TRP  40   2.059   3.143   4.709
  301    HZ3  TRP  40           3HZ      TRP  40   6.255   3.845   4.594
  302    HH2  TRP  40           HH       TRP  40   4.235   3.242   5.821
  303    H    LYS  41           H        LYS  41   4.320   3.756  -2.971
  304    HA   LYS  41           HA       LYS  41   1.532   3.229  -3.609
  305   1HB   LYS  41          2HB       LYS  41   2.181   2.983  -6.044
  306   2HB   LYS  41          1HB       LYS  41   2.019   4.611  -5.431
  307   1HG   LYS  41          2HG       LYS  41   3.949   4.831  -6.568
  308   2HG   LYS  41          1HG       LYS  41   4.611   4.319  -5.021
  309   1HD   LYS  41          2HD       LYS  41   5.690   2.947  -6.567
  310   2HD   LYS  41          1HD       LYS  41   4.370   1.961  -5.959
  311   1HE   LYS  41          2HE       LYS  41   4.960   2.526  -8.622
  312   2HE   LYS  41          1HE       LYS  41   3.542   1.694  -7.989
  313   1HZ   LYS  41          1HZ       LYS  41   2.447   3.875  -7.800
  314   2HZ   LYS  41          2HZ       LYS  41   2.874   3.509  -9.394
  315   3HZ   LYS  41          3HZ       LYS  41   3.796   4.610  -8.505
  316    H    CYS  42           H        CYS  42   1.050   1.129  -3.928
  317    HA   CYS  42           HA       CYS  42   3.285  -0.750  -4.153
  318   1HB   CYS  42          2HB       CYS  42   1.890  -2.273  -2.603
  319   2HB   CYS  42          1HB       CYS  42   2.799  -0.962  -1.861
  320    HG   CYS  42           HG       CYS  42   0.112  -1.305  -1.177
  321    H    LYS  43           H        LYS  43   2.671  -2.833  -5.047
  322    HA   LYS  43           HA       LYS  43   0.516  -2.537  -6.977
  323   1HB   LYS  43          2HB       LYS  43   1.518  -4.781  -7.816
  324   2HB   LYS  43          1HB       LYS  43   2.401  -3.287  -8.086
  325   1HG   LYS  43          2HG       LYS  43   3.905  -3.764  -6.300
  326   2HG   LYS  43          1HG       LYS  43   2.934  -5.143  -5.779
  327   1HD   LYS  43          2HD       LYS  43   4.928  -5.845  -7.029
  328   2HD   LYS  43          1HD       LYS  43   3.439  -6.305  -7.856
  329   1HE   LYS  43          2HE       LYS  43   5.297  -5.319  -9.289
  330   2HE   LYS  43          1HE       LYS  43   3.689  -4.620  -9.474
  331   1HZ   LYS  43          1HZ       LYS  43   5.750  -3.457  -7.691
  332   2HZ   LYS  43          2HZ       LYS  43   4.309  -2.743  -8.214
  333   3HZ   LYS  43          3HZ       LYS  43   5.572  -2.996  -9.309
  334    H    ASN  44           H        ASN  44  -1.260  -3.691  -7.092
  335    HA   ASN  44           HA       ASN  44  -1.812  -5.612  -4.939
  336   1HB   ASN  44          2HB       ASN  44  -3.114  -3.323  -5.248
  337   2HB   ASN  44          1HB       ASN  44  -3.970  -4.227  -6.489
  338   1HD2  ASN  44          1HD2      ASN  44  -2.731  -5.071  -3.271
  339   2HD2  ASN  44          2HD2      ASN  44  -4.236  -5.659  -2.660
  340    H    ALA  45           H        ALA  45  -3.725  -7.085  -5.655
  341    HA   ALA  45           HA       ALA  45  -2.772  -8.539  -7.918
  342   1HB   ALA  45          1HB       ALA  45  -5.085  -9.779  -7.358
  343   2HB   ALA  45          2HB       ALA  45  -4.826  -8.937  -5.832
  344   3HB   ALA  45          3HB       ALA  45  -3.600 -10.048  -6.444
  345    H    ARG  46           H        ARG  46  -4.505  -5.793  -7.788
  346    HA   ARG  46           HA       ARG  46  -6.485  -6.388  -9.791
  347   1HB   ARG  46          2HB       ARG  46  -7.442  -4.744  -8.610
  348   2HB   ARG  46          1HB       ARG  46  -5.910  -4.240  -7.918
  349   1HG   ARG  46          2HG       ARG  46  -5.474  -2.781  -9.669
  350   2HG   ARG  46          1HG       ARG  46  -6.720  -3.479 -10.701
  351   1HD   ARG  46          2HD       ARG  46  -7.010  -1.683  -8.321
  352   2HD   ARG  46          1HD       ARG  46  -7.673  -1.491  -9.943
  353    HE   ARG  46           HE       ARG  46  -8.862  -2.878  -7.756
  354   1HH1  ARG  46          1HH1      ARG  46  -8.594  -2.853 -11.234
  355   2HH1  ARG  46          2HH1      ARG  46 -10.120  -3.634 -11.481
  356   1HH2  ARG  46          1HH2      ARG  46 -10.864  -3.906  -8.078
  357   2HH2  ARG  46          2HH2      ARG  46 -11.409  -4.232  -9.688
  358    H    GLY  47           H        GLY  47  -3.202  -5.835  -9.852
  359   1HA   GLY  47          2HA       GLY  47  -1.873  -5.802 -11.772
  360   2HA   GLY  47          1HA       GLY  47  -3.285  -5.360 -12.715
  361    H    GLN  48           H        GLN  48  -3.717  -3.174 -10.570
  362    HA   GLN  48           HA       GLN  48  -1.759  -1.282 -11.671
  363   1HB   GLN  48          2HB       GLN  48  -4.700  -1.092 -11.319
  364   2HB   GLN  48          1HB       GLN  48  -3.767   0.352 -10.962
  365   1HG   GLN  48          2HG       GLN  48  -3.888  -1.150 -13.564
  366   2HG   GLN  48          1HG       GLN  48  -4.488   0.473 -13.224
  367   1HE2  GLN  48          1HE2      GLN  48  -2.836   2.071 -12.566
  368   2HE2  GLN  48          2HE2      GLN  48  -1.284   1.993 -13.320
  369    H    VAL  49           H        VAL  49  -0.716   0.063 -10.288
  370    HA   VAL  49           HA       VAL  49  -1.392  -0.229  -7.436
  371    HB   VAL  49           HB       VAL  49   0.699  -1.046  -7.289
  372   1HG1  VAL  49          1HG1      VAL  49   1.564   0.480  -9.712
  373   2HG1  VAL  49          2HG1      VAL  49   0.975  -1.182  -9.705
  374   3HG1  VAL  49          3HG1      VAL  49   2.474  -0.774  -8.870
  375   1HG2  VAL  49          1HG2      VAL  49   1.563   1.806  -7.662
  376   2HG2  VAL  49          2HG2      VAL  49   2.330   0.568  -6.668
  377   3HG2  VAL  49          3HG2      VAL  49   0.752   1.211  -6.214
  378    H    GLY  50           H        GLY  50  -1.961   1.535  -6.394
  379   1HA   GLY  50          2HA       GLY  50  -1.430   4.130  -7.688
  380   2HA   GLY  50          1HA       GLY  50  -2.833   3.791  -6.700
  381    H    LEU  51           H        LEU  51  -2.514   5.356  -5.194
  382    HA   LEU  51           HA       LEU  51  -0.060   5.105  -3.591
  383   1HB   LEU  51          2HB       LEU  51  -1.515   7.415  -4.609
  384   2HB   LEU  51          1HB       LEU  51  -1.209   7.519  -2.887
  385    HG   LEU  51           HG       LEU  51   1.130   7.517  -3.181
  386   1HD1  LEU  51          1HD1      LEU  51   0.588   5.908  -5.453
  387   2HD1  LEU  51          2HD1      LEU  51   2.137   6.258  -4.689
  388   3HD1  LEU  51          3HD1      LEU  51   1.536   7.298  -5.978
  389   1HD2  LEU  51          1HD2      LEU  51  -0.331   9.154  -5.208
  390   2HD2  LEU  51          2HD2      LEU  51   1.426   9.240  -5.084
  391   3HD2  LEU  51          3HD2      LEU  51   0.422   9.657  -3.695
  392    H    VAL  52           H        VAL  52  -0.362   4.104  -1.753
  393    HA   VAL  52           HA       VAL  52  -3.021   3.981  -0.574
  394    HB   VAL  52           HB       VAL  52  -2.189   1.836  -0.531
  395   1HG1  VAL  52          1HG1      VAL  52   0.459   3.132  -0.235
  396   2HG1  VAL  52          2HG1      VAL  52  -0.076   1.928  -1.393
  397   3HG1  VAL  52          3HG1      VAL  52   0.281   1.456   0.269
  398   1HG2  VAL  52          1HG2      VAL  52  -2.424   2.986   1.942
  399   2HG2  VAL  52          2HG2      VAL  52  -0.814   2.278   2.023
  400   3HG2  VAL  52          3HG2      VAL  52  -2.205   1.264   1.641
  401    HA   PRO  53           HA       PRO  53  -2.304   7.090   2.515
  402   1HB   PRO  53          2HB       PRO  53  -3.972   6.134   4.432
  403   2HB   PRO  53          1HB       PRO  53  -4.579   6.888   2.946
  404   1HG   PRO  53          2HG       PRO  53  -4.086   3.962   3.486
  405   2HG   PRO  53          1HG       PRO  53  -5.606   4.732   2.949
  406   1HD   PRO  53          2HD       PRO  53  -4.054   3.635   1.149
  407   2HD   PRO  53          1HD       PRO  53  -4.671   5.277   0.837
  408    H    LYS  54           H        LYS  54  -0.109   6.559   3.026
  409    HA   LYS  54           HA       LYS  54   0.782   4.403   4.472
  410   1HB   LYS  54          2HB       LYS  54   2.725   5.699   5.028
  411   2HB   LYS  54          1HB       LYS  54   2.228   6.020   3.372
  412   1HG   LYS  54          2HG       LYS  54   2.387   8.144   3.911
  413   2HG   LYS  54          1HG       LYS  54   0.873   7.929   4.780
  414   1HD   LYS  54          2HD       LYS  54   2.044   7.508   6.834
  415   2HD   LYS  54          1HD       LYS  54   3.602   7.517   6.002
  416   1HE   LYS  54          2HE       LYS  54   3.276   9.879   5.435
  417   2HE   LYS  54          1HE       LYS  54   1.726   9.865   6.276
  418   1HZ   LYS  54          1HZ       LYS  54   4.415   9.975   7.352
  419   2HZ   LYS  54          2HZ       LYS  54   3.360   8.942   8.177
  420   3HZ   LYS  54          3HZ       LYS  54   2.966  10.576   7.989
  421    H    ASN  55           H        ASN  55  -1.032   7.088   5.568
  422    HA   ASN  55           HA       ASN  55  -0.336   6.830   8.346
  423   1HB   ASN  55          2HB       ASN  55  -1.454   8.829   6.851
  424   2HB   ASN  55          1HB       ASN  55  -2.860   8.178   7.686
  425   1HD2  ASN  55          1HD2      ASN  55  -1.780  10.764   8.056
  426   2HD2  ASN  55          2HD2      ASN  55  -1.233  10.880   9.691
  427    H    TYR  56           H        TYR  56  -2.349   5.120   6.247
  428    HA   TYR  56           HA       TYR  56  -4.041   4.184   8.467
  429   1HB   TYR  56          2HB       TYR  56  -4.520   3.863   5.498
  430   2HB   TYR  56          1HB       TYR  56  -5.624   3.418   6.790
  431    HD1  TYR  56           1HD      TYR  56  -6.513   5.089   4.578
  432    HD2  TYR  56           2HD      TYR  56  -4.633   6.205   8.224
  433    HE1  TYR  56           1HE      TYR  56  -7.570   7.302   4.435
  434    HE2  TYR  56           2HE      TYR  56  -5.684   8.424   8.095
  435    HH   TYR  56           HH       TYR  56  -7.313   9.524   5.265
  436    H    VAL  57           H        VAL  57  -1.220   3.359   7.435
  437    HA   VAL  57           HA       VAL  57  -1.805   0.498   7.614
  438    HB   VAL  57           HB       VAL  57  -0.777  -0.164   5.684
  439   1HG1  VAL  57          1HG1      VAL  57  -1.633   1.040   3.879
  440   2HG1  VAL  57          2HG1      VAL  57  -1.433   2.589   4.696
  441   3HG1  VAL  57          3HG1      VAL  57  -2.697   1.474   5.216
  442   1HG2  VAL  57          1HG2      VAL  57   1.391   0.567   5.770
  443   2HG2  VAL  57          2HG2      VAL  57   0.930   2.246   6.053
  444   3HG2  VAL  57          3HG2      VAL  57   0.788   1.553   4.437
  445    H    VAL  58           H        VAL  58   0.166  -0.826   7.890
  446    HA   VAL  58           HA       VAL  58   2.257   0.605   9.388
  447    HB   VAL  58           HB       VAL  58   0.740  -0.669  10.907
  448   1HG1  VAL  58          1HG1      VAL  58   1.863  -3.166   9.673
  449   2HG1  VAL  58          2HG1      VAL  58   0.301  -2.489   9.208
  450   3HG1  VAL  58          3HG1      VAL  58   0.576  -3.014  10.869
  451   1HG2  VAL  58          1HG2      VAL  58   2.504  -1.755  12.169
  452   2HG2  VAL  58          2HG2      VAL  58   3.099  -0.246  11.477
  453   3HG2  VAL  58          3HG2      VAL  58   3.537  -1.786  10.740
  454    H    VAL  59           H        VAL  59   4.096   0.469   8.264
  455    HA   VAL  59           HA       VAL  59   4.481  -1.328   6.141
  456    HB   VAL  59           HB       VAL  59   6.698   0.137   7.551
  457   1HG1  VAL  59          1HG1      VAL  59   7.262   0.103   4.889
  458   2HG1  VAL  59          2HG1      VAL  59   6.429  -1.438   5.084
  459   3HG1  VAL  59          3HG1      VAL  59   7.859  -1.083   6.053
  460   1HG2  VAL  59          1HG2      VAL  59   6.059   2.092   6.656
  461   2HG2  VAL  59          2HG2      VAL  59   4.471   1.340   6.507
  462   3HG2  VAL  59          3HG2      VAL  59   5.577   1.344   5.134
  463    H    LEU  60           H        LEU  60   5.812  -3.015   5.832
  464    HA   LEU  60           HA       LEU  60   6.524  -4.554   8.189
  465   1HB   LEU  60          2HB       LEU  60   5.229  -5.196   5.727
  466   2HB   LEU  60          1HB       LEU  60   6.743  -6.078   5.799
  467    HG   LEU  60           HG       LEU  60   6.102  -7.148   7.847
  468   1HD1  LEU  60          1HD1      LEU  60   3.472  -6.541   8.348
  469   2HD1  LEU  60          2HD1      LEU  60   4.177  -4.969   7.973
  470   3HD1  LEU  60          3HD1      LEU  60   4.861  -5.956   9.264
  471   1HD2  LEU  60          1HD2      LEU  60   3.814  -7.178   5.885
  472   2HD2  LEU  60          2HD2      LEU  60   4.150  -8.410   7.101
  473   3HD2  LEU  60          3HD2      LEU  60   5.284  -8.146   5.776
  474    H    SER  61           H        SER  61   8.481  -5.850   7.919
  475    HA   SER  61           HA       SER  61  10.736  -4.286   7.425
  476   1HB   SER  61          2HB       SER  61  11.980  -6.514   7.581
  477   2HB   SER  61          1HB       SER  61  10.984  -6.072   8.966
  478    HG   SER  61           HG       SER  61  10.278  -7.857   6.875