*HEADER    SIGNALING PROTEIN                       02-SEP-11   2LJ0              
*TITLE     THE THIRD SH3 DOMAIN OF R85FL                                         
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: SORBIN AND SH3 DOMAIN-CONTAINING PROTEIN 1;                
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: THIRD SH3 DOMAIN;                                          
*COMPND   5 SYNONYM: PONSIN, SH3 DOMAIN PROTEIN 5, SH3P12, C-CBL-ASSOCIATED      
*COMPND   6 PROTEIN, CAP;                                                        
*COMPND   7 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   4 ORGANISM_TAXID: 9606;                                                
*SOURCE   5 GENE: SORBS1;                                                        
*SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562;                                        
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR_TYPE: VECTOR;                               
*SOURCE   9 EXPRESSION_SYSTEM_VECTOR: PET-22B                                    
*KEYWDS    SH3, R85FL, PONSIN, CAP, SIGNALING PROTEIN                            
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    15                                                                    
*AUTHOR    Y.JIANG, H.HU                                                         
*REVDAT   1   05-SEP-12 2LJ0    0                                                


assign (segid "    " and resid   22 and name   HA) (segid "    " and resid   22 and name  HB2) 2.158 0.582 0.582 weight 1.000 ! spec=SH3CFc13noe, no=2, id=1, vol=4.060000e+09
assign (segid "    " and resid   22 and name   HA) (segid "    " and resid   54 and name HG21) 2.869 1.029 1.029 weight 1.000 ! spec=SH3CFc13noe, no=3, id=2, vol=7.360000e+08
assign (segid "    " and resid   22 and name  HG2) (segid "    " and resid   22 and name   HA) 3.291 1.354 1.354 weight 1.000 ! spec=SH3CFc13noe, no=4, id=3, vol=3.230000e+08
assign (segid "    " and resid   22 and name   HA) (segid "    " and resid   22 and name  HB1) 3.290 1.353 1.353 weight 1.000 ! spec=SH3CFc13noe, no=6, id=5, vol=3.240000e+08
assign (segid "    " and resid   22 and name  HB2) (segid "    " and resid   17 and name   HA) 3.064 1.174 1.174 weight 1.000 ! spec=SH3CFc13noe, no=7, id=6, vol=4.960000e+08
assign (segid "    " and resid   22 and name  HB1) (segid "    " and resid   17 and name   HA) 3.417 1.459 1.459 weight 1.000 ! spec=SH3CFc13noe, no=8, id=7, vol=2.580000e+08
assign (segid "    " and resid   23 and name   HA) (segid "    " and resid   24 and name  HB1) 6.511 5.299 5.299 weight 1.000 ! spec=SH3CFc13noe, no=9, id=8, vol=5.390000e+06
assign (segid "    " and resid   23 and name   HA) (segid "    " and resid   23 and name HD22) 2.741 0.939 0.939 weight 1.000 ! spec=SH3CFc13noe, no=13, id=12, vol=9.690000e+08
assign (segid "    " and resid   25 and name HD12) (segid "    " and resid   25 and name   HA) 3.291 1.354 1.354 weight 1.000 ! spec=SH3CFc13noe, no=15, id=14, vol=3.230000e+08
assign (segid "    " and resid   50 and name  HG2) (segid "    " and resid   50 and name   HA) 2.600 0.845 0.845 weight 1.000 ! spec=SH3CFc13noe, no=16, id=15, vol=1.330000e+09
assign (segid "    " and resid   35 and name   HA) (segid "    " and resid   35 and name  HG2) 2.232 0.623 0.623 weight 1.000 ! spec=SH3CFc13noe, no=19, id=18, vol=3.320000e+09
assign (segid "    " and resid   35 and name   HA) (segid "    " and resid   36 and name  HG2) 2.988 1.116 1.116 weight 1.000 ! spec=SH3CFc13noe, no=20, id=19, vol=5.770000e+08
assign (segid "    " and resid   58 and name  HB2) (segid "    " and resid   58 and name   HA) 2.025 0.513 0.513 weight 1.000 ! spec=SH3CFc13noe, no=21, id=20, vol=5.950000e+09
assign (segid "    " and resid   24 and name  HG2) (segid "    " and resid   24 and name   HA) 2.021 0.510 0.510 weight 1.000 ! spec=SH3CFc13noe, no=22, id=21, vol=6.030000e+09
assign (segid "    " and resid   24 and name  HG1) (segid "    " and resid   24 and name   HA) 2.869 1.029 1.029 weight 1.000 ! spec=SH3CFc13noe, no=23, id=22, vol=7.360000e+08
assign (segid "    " and resid   23 and name   HA) (segid "    " and resid   24 and name  HG1) 3.385 1.432 1.432 weight 1.000 ! spec=SH3CFc13noe, no=24, id=23, vol=2.730000e+08
assign (segid "    " and resid   24 and name  HG2) (segid "    " and resid   16 and name   HA) 3.106 1.206 1.206 weight 1.000 ! spec=SH3CFc13noe, no=25, id=24, vol=4.570000e+08
assign (segid "    " and resid   24 and name  HG1) (segid "    " and resid   17 and name  HD1) 3.893 1.894 1.894 weight 1.000 ! spec=SH3CFc13noe, no=26, id=25, vol=1.180000e+08
assign (segid "    " and resid   24 and name  HG1) (segid "    " and resid   24 and name  HG2) 2.283 0.652 0.652 weight 1.000 ! spec=SH3CFc13noe, no=28, id=27, vol=2.900000e+09
assign (segid "    " and resid   24 and name  HG2) (segid "    " and resid   16 and name HD12) 3.081 1.187 1.187 weight 1.000 ! spec=SH3CFc13noe, no=29, id=28, vol=4.800000e+08
assign (segid "    " and resid   25 and name  HB2) (segid "    " and resid   25 and name   HA) 2.931 1.074 1.074 weight 1.000 ! spec=SH3CFc13noe, no=30, id=29, vol=6.470000e+08
assign (segid "    " and resid   25 and name  HB1) (segid "    " and resid   25 and name   HA) 2.856 1.020 1.020 weight 1.000 ! spec=SH3CFc13noe, no=31, id=30, vol=7.560000e+08
assign (segid "    " and resid   25 and name  HB1) (segid "    " and resid   25 and name  HB2) 2.465 0.760 0.760 weight 1.000 ! spec=SH3CFc13noe, no=32, id=31, vol=1.830000e+09
assign (segid "    " and resid   25 and name  HB2) (segid "    " and resid   25 and name   HG) 2.704 0.914 0.914 weight 1.000 ! spec=SH3CFc13noe, no=33, id=32, vol=1.050000e+09
assign (segid "    " and resid   25 and name  HB1) (segid "    " and resid   25 and name HD22) 2.850 1.015 1.015 weight 1.000 ! spec=SH3CFc13noe, no=36, id=34, vol=7.660000e+08
assign (segid "    " and resid   25 and name  HB2) (segid "    " and resid   25 and name HD22) 2.801 0.981 0.981 weight 1.000 ! spec=SH3CFc13noe, no=37, id=35, vol=8.500000e+08
assign (segid "    " and resid   26 and name  HD1) (segid "    " and resid   26 and name  HB1) 2.230 0.622 0.622 weight 1.000 ! spec=SH3CFc13noe, no=39, id=37, vol=3.340000e+09
assign (segid "    " and resid   26 and name  HG2) (segid "    " and resid   26 and name   HA) 2.898 1.050 1.050 weight 1.000 ! spec=SH3CFc13noe, no=40, id=38, vol=6.930000e+08
assign (segid "    " and resid   26 and name  HG1) (segid "    " and resid   26 and name   HA) 2.888 1.042 1.042 weight 1.000 ! spec=SH3CFc13noe, no=41, id=39, vol=7.080000e+08
assign (segid "    " and resid   26 and name  HB2) (segid "    " and resid   26 and name   HA) 2.824 0.997 0.997 weight 1.000 ! spec=SH3CFc13noe, no=42, id=40, vol=8.100000e+08
assign (segid "    " and resid   26 and name  HB1) (segid "    " and resid   26 and name   HA) 2.888 1.043 1.043 weight 1.000 ! spec=SH3CFc13noe, no=43, id=41, vol=7.070000e+08
assign (segid "    " and resid   27 and name   HA) (segid "    " and resid   11 and name  HB2) 2.831 1.002 1.002 weight 1.000 ! spec=SH3CFc13noe, no=45, id=43, vol=7.970000e+08
assign (segid "    " and resid   27 and name  HB2) (segid "    " and resid   27 and name   HA) 2.730 0.932 0.932 weight 1.000 ! spec=SH3CFc13noe, no=46, id=44, vol=9.910000e+08
assign (segid "    " and resid   27 and name   HA) (segid "    " and resid   27 and name  HB1) 2.744 0.941 0.941 weight 1.000 ! spec=SH3CFc13noe, no=47, id=45, vol=9.620000e+08
assign (segid "    " and resid   27 and name  HB2) (segid "    " and resid   13 and name   HA) 3.063 1.173 1.173 weight 1.000 ! spec=SH3CFc13noe, no=48, id=46, vol=4.970000e+08
assign (segid "    " and resid   27 and name  HB1) (segid "    " and resid   13 and name   HA) 3.140 1.233 1.233 weight 1.000 ! spec=SH3CFc13noe, no=49, id=47, vol=4.280000e+08
assign (segid "    " and resid   28 and name  HA1) (segid "    " and resid   10 and name  HG2) 2.962 1.097 1.097 weight 1.000 ! spec=SH3CFc13noe, no=52, id=48, vol=6.080000e+08
assign (segid "    " and resid   28 and name  HA1) (segid "    " and resid   28 and name   HN) 2.545 0.810 0.810 weight 1.000 ! spec=SH3CFc13noe, no=54, id=50, vol=1.510000e+09
assign (segid "    " and resid   51 and name   HA) (segid "    " and resid   51 and name  HG1) 3.025 1.144 1.144 weight 1.000 ! spec=SH3CFc13noe, no=56, id=52, vol=5.360000e+08
assign (segid "    " and resid   51 and name   HA) (segid "    " and resid   51 and name  HB2) 2.073 0.537 0.537 weight 1.000 ! spec=SH3CFc13noe, no=57, id=53, vol=5.180000e+09
assign (segid "    " and resid   51 and name   HA) (segid "    " and resid   51 and name  HB1) 2.265 0.641 0.641 weight 1.000 ! spec=SH3CFc13noe, no=58, id=54, vol=3.040000e+09
assign (segid "    " and resid   42 and name  HB2) (segid "    " and resid   42 and name  HB1) 1.957 0.478 0.478 weight 1.000 ! spec=SH3CFc13noe, no=60, id=56, vol=7.320000e+09
assign (segid "    " and resid   20 and name  HB1) (segid "    " and resid   20 and name   HA) 2.350 0.690 0.690 weight 1.000 ! spec=SH3CFc13noe, no=61, id=57, vol=2.440000e+09
assign (segid "    " and resid   21 and name  HB1) (segid "    " and resid   21 and name   HA) 2.445 0.748 0.748 weight 1.000 ! spec=SH3CFc13noe, no=63, id=59, vol=1.920000e+09
assign (segid "    " and resid   21 and name  HB2) (segid "    " and resid   21 and name   HA) 2.192 0.601 0.601 weight 1.000 ! spec=SH3CFc13noe, no=64, id=60, vol=3.700000e+09
assign (segid "    " and resid   30 and name   HA) (segid "    " and resid   30 and name HG12) 2.745 0.942 0.942 weight 1.000 ! spec=SH3CFc13noe, no=65, id=61, vol=9.590000e+08
assign (segid "    " and resid   30 and name   HA) (segid "    " and resid   30 and name HG22) 2.590 0.839 0.839 weight 1.000 ! spec=SH3CFc13noe, no=66, id=62, vol=1.360000e+09
assign (segid "    " and resid   30 and name   HA) (segid "    " and resid   30 and name HG11) 2.774 0.962 0.962 weight 1.000 ! spec=SH3CFc13noe, no=67, id=63, vol=9.010000e+08
assign (segid "    " and resid   30 and name   HB) (segid "    " and resid   30 and name   HA) 3.309 1.368 1.368 weight 1.000 ! spec=SH3CFc13noe, no=69, id=65, vol=3.130000e+08
assign (segid "    " and resid   30 and name   HB) (segid "    " and resid   47 and name  HD1) 3.268 1.335 1.335 weight 1.000 ! spec=SH3CFc13noe, no=71, id=67, vol=3.370000e+08
assign (segid "    " and resid   30 and name   HB) (segid "    " and resid   30 and name HG11) 3.006 1.129 1.129 weight 1.000 ! spec=SH3CFc13noe, no=72, id=68, vol=5.570000e+08
assign (segid "    " and resid   31 and name   HB) (segid "    " and resid   31 and name   HA) 2.431 0.739 0.739 weight 1.000 ! spec=SH3CFc13noe, no=74, id=70, vol=1.990000e+09
assign (segid "    " and resid   31 and name   HB) (segid "    " and resid   30 and name HG22) 3.559 1.583 1.583 weight 1.000 ! spec=SH3CFc13noe, no=76, id=71, vol=2.020000e+08
assign (segid "    " and resid   31 and name   HB) (segid "    " and resid   32 and name   HN) 3.273 1.339 1.339 weight 1.000 ! spec=SH3CFc13noe, no=77, id=72, vol=3.340000e+08
assign (segid "    " and resid   31 and name   HB) (segid "    " and resid   31 and name   HN) 2.906 1.055 1.055 weight 1.000 ! spec=SH3CFc13noe, no=78, id=73, vol=6.820000e+08
assign (segid "    " and resid   60 and name HG12) (segid "    " and resid   11 and name  HB2) 2.930 1.073 1.073 weight 1.000 ! spec=SH3CFc13noe, no=79, id=74, vol=6.490000e+08
assign (segid "    " and resid   60 and name HG12) (segid "    " and resid   60 and name   HA) 2.529 0.799 0.799 weight 1.000 ! spec=SH3CFc13noe, no=81, id=76, vol=1.570000e+09
assign (segid "    " and resid   60 and name HG12) (segid "    " and resid   11 and name   HA) 2.563 0.821 0.821 weight 1.000 ! spec=SH3CFc13noe, no=82, id=77, vol=1.450000e+09
assign (segid "    " and resid   31 and name HG12) (segid "    " and resid   31 and name   HA) 2.402 0.721 0.721 weight 1.000 ! spec=SH3CFc13noe, no=83, id=78, vol=2.140000e+09
assign (segid "    " and resid   32 and name   HA) (segid "    " and resid   33 and name   HN) 1.750 0.383 0.383 weight 1.000 ! spec=SH3CFc13noe, no=85, id=80, vol=1.430000e+10
assign (segid "    " and resid   34 and name  HB2) (segid "    " and resid   34 and name  HG2) 2.054 0.528 0.528 weight 1.000 ! spec=SH3CFc13noe, no=87, id=82, vol=5.460000e+09
assign (segid "    " and resid   34 and name  HB2) (segid "    " and resid   34 and name   HA) 1.975 0.488 0.488 weight 1.000 ! spec=SH3CFc13noe, no=88, id=83, vol=6.920000e+09
assign (segid "    " and resid   34 and name  HB2) (segid "    " and resid   34 and name  HE2) 3.512 1.541 1.541 weight 1.000 ! spec=SH3CFc13noe, no=89, id=84, vol=2.190000e+08
assign (segid "    " and resid   34 and name  HG2) (segid "    " and resid   43 and name HG12) 2.820 0.994 0.994 weight 1.000 ! spec=SH3CFc13noe, no=91, id=86, vol=8.170000e+08
assign (segid "    " and resid   34 and name  HG2) (segid "    " and resid   35 and name  HB2) 3.215 1.292 1.292 weight 1.000 ! spec=SH3CFc13noe, no=92, id=87, vol=3.720000e+08
assign (segid "    " and resid   34 and name  HG2) (segid "    " and resid   34 and name   HA) 2.822 0.995 0.995 weight 1.000 ! spec=SH3CFc13noe, no=93, id=88, vol=8.130000e+08
assign (segid "    " and resid   58 and name  HB1) (segid "    " and resid   58 and name   HA) 2.491 0.775 0.775 weight 1.000 ! spec=SH3CFc13noe, no=95, id=90, vol=1.720000e+09
assign (segid "    " and resid   35 and name  HB2) (segid "    " and resid   35 and name  HG2) 2.373 0.704 0.704 weight 1.000 ! spec=SH3CFc13noe, no=96, id=91, vol=2.300000e+09
assign (segid "    " and resid   35 and name   HA) (segid "    " and resid   35 and name  HB2) 2.516 0.791 0.791 weight 1.000 ! spec=SH3CFc13noe, no=97, id=92, vol=1.620000e+09
assign (segid "    " and resid   35 and name  HB2) (segid "    " and resid   34 and name  HE2) 1.728 0.373 0.373 weight 1.000 ! spec=SH3CFc13noe, no=98, id=93, vol=1.540000e+10
assign (segid "    " and resid   36 and name   HA) (segid "    " and resid   36 and name  HG2) 2.342 0.685 0.685 weight 1.000 ! spec=SH3CFc13noe, no=99, id=94, vol=2.490000e+09
assign (segid "    " and resid   36 and name   HA) (segid "    " and resid   36 and name  HB2) 2.316 0.671 0.671 weight 1.000 ! spec=SH3CFc13noe, no=100, id=95, vol=2.660000e+09
assign (segid "    " and resid   36 and name  HB2) (segid "    " and resid   36 and name  HG2) 2.713 0.920 0.920 weight 1.000 ! spec=SH3CFc13noe, no=102, id=97, vol=1.030000e+09
assign (segid "    " and resid   36 and name  HD2) (segid "    " and resid   36 and name  HG1) 2.728 0.930 0.930 weight 1.000 ! spec=SH3CFc13noe, no=104, id=99, vol=9.960000e+08
assign (segid "    " and resid   36 and name  HD2) (segid "    " and resid   36 and name  HG2) 2.505 0.785 0.785 weight 1.000 ! spec=SH3CFc13noe, no=105, id=100, vol=1.660000e+09
assign (segid "    " and resid   36 and name  HD2) (segid "    " and resid   36 and name  HE2) 2.634 0.867 0.867 weight 1.000 ! spec=SH3CFc13noe, no=106, id=101, vol=1.230000e+09
assign (segid "    " and resid   36 and name  HG2) (segid "    " and resid   36 and name  HG1) 1.908 0.455 0.455 weight 1.000 ! spec=SH3CFc13noe, no=107, id=102, vol=8.520000e+09
assign (segid "    " and resid   36 and name  HB2) (segid "    " and resid   36 and name  HG1) 2.786 0.970 0.970 weight 1.000 ! spec=SH3CFc13noe, no=110, id=104, vol=8.780000e+08
assign (segid "    " and resid   37 and name   HA) (segid "    " and resid   37 and name  HB1) 2.258 0.637 0.637 weight 1.000 ! spec=SH3CFc13noe, no=113, id=107, vol=3.100000e+09
assign (segid "    " and resid   37 and name   HA) (segid "    " and resid   37 and name  HB2) 3.002 1.126 1.126 weight 1.000 ! spec=SH3CFc13noe, no=114, id=108, vol=5.610000e+08
assign (segid "    " and resid   37 and name  HB1) (segid "    " and resid   40 and name   HN) 3.216 1.293 1.293 weight 1.000 ! spec=SH3CFc13noe, no=115, id=109, vol=3.710000e+08
assign (segid "    " and resid   38 and name   HA) (segid "    " and resid   39 and name   HN) 2.641 0.872 0.872 weight 1.000 ! spec=SH3CFc13noe, no=118, id=112, vol=1.210000e+09
assign (segid "    " and resid   38 and name   HA) (segid "    " and resid   38 and name  HB2) 2.222 0.617 0.617 weight 1.000 ! spec=SH3CFc13noe, no=119, id=113, vol=3.410000e+09
assign (segid "    " and resid   39 and name   HA) (segid "    " and resid   39 and name  HB1) 1.998 0.499 0.499 weight 1.000 ! spec=SH3CFc13noe, no=120, id=114, vol=6.450000e+09
assign (segid "    " and resid   39 and name  HB1) (segid "    " and resid   39 and name  HB2) 2.163 0.585 0.585 weight 1.000 ! spec=SH3CFc13noe, no=122, id=116, vol=4.010000e+09
assign (segid "    " and resid   39 and name   HA) (segid "    " and resid   39 and name  HB2) 2.474 0.765 0.765 weight 1.000 ! spec=SH3CFc13noe, no=123, id=117, vol=1.790000e+09
assign (segid "    " and resid   39 and name  HB1) (segid "    " and resid   39 and name   HN) 2.073 0.537 0.537 weight 1.000 ! spec=SH3CFc13noe, no=126, id=120, vol=5.180000e+09
assign (segid "    " and resid   41 and name   HA) (segid "    " and resid   57 and name   HN) 2.566 0.823 0.823 weight 1.000 ! spec=SH3CFc13noe, no=130, id=122, vol=1.440000e+09
assign (segid "    " and resid   41 and name   HA) (segid "    " and resid   42 and name   HN) 2.332 0.680 0.680 weight 1.000 ! spec=SH3CFc13noe, no=132, id=123, vol=2.550000e+09
assign (segid "    " and resid   41 and name  HB2) (segid "    " and resid   41 and name  HB1) 2.403 0.722 0.722 weight 1.000 ! spec=SH3CFc13noe, no=134, id=125, vol=2.130000e+09
assign (segid "    " and resid   41 and name  HB1) (segid "    " and resid   41 and name   HA) 3.053 1.165 1.165 weight 1.000 ! spec=SH3CFc13noe, no=135, id=126, vol=5.070000e+08
assign (segid "    " and resid   41 and name   HA) (segid "    " and resid   41 and name  HB2) 2.683 0.900 0.900 weight 1.000 ! spec=SH3CFc13noe, no=136, id=127, vol=1.100000e+09
assign (segid "    " and resid   41 and name  HB2) (segid "    " and resid   41 and name  HD1) 3.343 1.397 1.397 weight 1.000 ! spec=SH3CFc13noe, no=137, id=128, vol=2.940000e+08
assign (segid "    " and resid   41 and name  HB2) (segid "    " and resid   41 and name  HE3) 3.271 1.338 1.338 weight 1.000 ! spec=SH3CFc13noe, no=138, id=129, vol=3.350000e+08
assign (segid "    " and resid   41 and name  HB1) (segid "    " and resid   41 and name  HE3) 3.093 1.196 1.196 weight 1.000 ! spec=SH3CFc13noe, no=139, id=130, vol=4.690000e+08
assign (segid "    " and resid   42 and name   HA) (segid "    " and resid   42 and name  HB1) 2.630 0.865 0.865 weight 1.000 ! spec=SH3CFc13noe, no=140, id=131, vol=1.240000e+09
assign (segid "    " and resid   42 and name   HA) (segid "    " and resid   42 and name  HB2) 2.241 0.628 0.628 weight 1.000 ! spec=SH3CFc13noe, no=141, id=132, vol=3.240000e+09
assign (segid "    " and resid   42 and name   HA) (segid "    " and resid   36 and name   HA) 2.726 0.929 0.929 weight 1.000 ! spec=SH3CFc13noe, no=142, id=133, vol=1.000000e+09
assign (segid "    " and resid   42 and name   HA) (segid "    " and resid   33 and name HG22) 3.167 1.254 1.254 weight 1.000 ! spec=SH3CFc13noe, no=143, id=134, vol=4.070000e+08
assign (segid "    " and resid   42 and name   HA) (segid "    " and resid   43 and name HG22) 3.065 1.174 1.174 weight 1.000 ! spec=SH3CFc13noe, no=144, id=135, vol=4.950000e+08
    or (segid "    " and resid   42 and name   HA) (segid "    " and resid   43 and name HG21)
    or (segid "    " and resid   42 and name   HA) (segid "    " and resid   43 and name HG23)
assign (segid "    " and resid   42 and name   HA) (segid "    " and resid   42 and name  HD1) 2.600 0.845 0.845 weight 1.000 ! spec=SH3CFc13noe, no=145, id=136, vol=1.330000e+09
assign (segid "    " and resid   42 and name  HB1) (segid "    " and resid   42 and name  HD1) 2.820 0.994 0.994 weight 1.000 ! spec=SH3CFc13noe, no=150, id=141, vol=8.170000e+08
assign (segid "    " and resid   42 and name  HB1) (segid "    " and resid   33 and name HG22) 3.031 1.148 1.148 weight 1.000 ! spec=SH3CFc13noe, no=151, id=142, vol=5.300000e+08
assign (segid "    " and resid   32 and name   HA) (segid "    " and resid   32 and name  HB2) 2.445 0.748 0.748 weight 1.000 ! spec=SH3CFc13noe, no=152, id=143, vol=1.920000e+09
assign (segid "    " and resid   43 and name   HA) (segid "    " and resid   43 and name   HB) 2.824 0.997 0.997 weight 1.000 ! spec=SH3CFc13noe, no=154, id=145, vol=8.100000e+08
assign (segid "    " and resid   61 and name  HB2) (segid "    " and resid   61 and name   HA) 2.140 0.573 0.573 weight 1.000 ! spec=SH3CFc13noe, no=156, id=147, vol=4.270000e+09
assign (segid "    " and resid   43 and name   HB) (segid "    " and resid   43 and name HG12) 2.048 0.524 0.524 weight 1.000 ! spec=SH3CFc13noe, no=159, id=150, vol=5.570000e+09
assign (segid "    " and resid   43 and name HG22) (segid "    " and resid   43 and name   HA) 2.521 0.794 0.794 weight 1.000 ! spec=SH3CFc13noe, no=160, id=151, vol=1.600000e+09
assign (segid "    " and resid   43 and name HG22) (segid "    " and resid   43 and name   HB) 2.319 0.672 0.672 weight 1.000 ! spec=SH3CFc13noe, no=162, id=153, vol=2.640000e+09
assign (segid "    " and resid   43 and name HG22) (segid "    " and resid   34 and name  HG2) 3.712 1.722 1.722 weight 1.000 ! spec=SH3CFc13noe, no=165, id=155, vol=1.570000e+08
assign (segid "    " and resid   42 and name   HA) (segid "    " and resid   43 and name HG22) 3.850 1.853 1.853 weight 1.000 ! spec=SH3CFc13noe, no=166, id=156, vol=1.260000e+08
assign (segid "    " and resid   43 and name HG22) (segid "    " and resid   55 and name  HD1) 3.861 1.863 1.863 weight 1.000 ! spec=SH3CFc13noe, no=168, id=158, vol=1.240000e+08
assign (segid "    " and resid   43 and name HG22) (segid "    " and resid   52 and name  HD2) 3.982 1.982 1.982 weight 1.000 ! spec=SH3CFc13noe, no=169, id=159, vol=1.030000e+08
assign (segid "    " and resid   43 and name HG22) (segid "    " and resid   35 and name   HN) 3.720 1.730 1.730 weight 1.000 ! spec=SH3CFc13noe, no=170, id=160, vol=1.550000e+08
assign (segid "    " and resid   43 and name HG22) (segid "    " and resid   44 and name   HN) 2.675 0.895 0.895 weight 1.000 ! spec=SH3CFc13noe, no=171, id=161, vol=1.120000e+09
assign (segid "    " and resid   43 and name   HA) (segid "    " and resid   43 and name HG12) 2.741 0.939 0.939 weight 1.000 ! spec=SH3CFc13noe, no=172, id=162, vol=9.690000e+08
assign (segid "    " and resid   43 and name HG12) (segid "    " and resid   34 and name  HB2) 3.065 1.174 1.174 weight 1.000 ! spec=SH3CFc13noe, no=175, id=165, vol=4.950000e+08
assign (segid "    " and resid   43 and name HG12) (segid "    " and resid   52 and name  HD2) 3.007 1.131 1.131 weight 1.000 ! spec=SH3CFc13noe, no=176, id=166, vol=5.550000e+08
assign (segid "    " and resid   44 and name  HA1) (segid "    " and resid   33 and name HG22) 3.206 1.285 1.285 weight 1.000 ! spec=SH3CFc13noe, no=181, id=169, vol=3.780000e+08
assign (segid "    " and resid   44 and name  HA1) (segid "    " and resid   33 and name HG12) 4.495 2.525 2.525 weight 1.000 ! spec=SH3CFc13noe, no=182, id=170, vol=4.980000e+07
assign (segid "    " and resid   45 and name   HA) (segid "    " and resid   45 and name   HB) 2.704 0.914 0.914 weight 1.000 ! spec=SH3CFc13noe, no=183, id=171, vol=1.050000e+09
assign (segid "    " and resid   45 and name   HA) (segid "    " and resid   45 and name HG21) 2.743 0.941 0.941 weight 1.000 ! spec=SH3CFc13noe, no=184, id=172, vol=9.630000e+08
assign (segid "    " and resid   45 and name   HA) (segid "    " and resid   45 and name  HG1) 1.845 0.426 0.426 weight 1.000 ! spec=SH3CFc13noe, no=185, id=173, vol=1.040000e+10
assign (segid "    " and resid   45 and name   HA) (segid "    " and resid   52 and name  HB1) 3.909 1.911 1.911 weight 1.000 ! spec=SH3CFc13noe, no=186, id=174, vol=1.150000e+08
assign (segid "    " and resid   45 and name   HA) (segid "    " and resid   52 and name  HB2) 3.084 1.189 1.189 weight 1.000 ! spec=SH3CFc13noe, no=187, id=175, vol=4.770000e+08
assign (segid "    " and resid   45 and name   HA) (segid "    " and resid   23 and name HD22) 3.246 1.317 1.317 weight 1.000 ! spec=SH3CFc13noe, no=188, id=176, vol=3.510000e+08
    or (segid "    " and resid   45 and name   HA) (segid "    " and resid   23 and name HD21)
    or (segid "    " and resid   45 and name   HA) (segid "    " and resid   23 and name HD23)
assign (segid "    " and resid   45 and name   HA) (segid "    " and resid   31 and name HG22) 3.188 1.271 1.271 weight 1.000 ! spec=SH3CFc13noe, no=189, id=177, vol=3.910000e+08
    or (segid "    " and resid   45 and name   HA) (segid "    " and resid   31 and name HG21)
    or (segid "    " and resid   45 and name   HA) (segid "    " and resid   31 and name HG23)
assign (segid "    " and resid   45 and name   HB) (segid "    " and resid   45 and name HG21) 2.294 0.658 0.658 weight 1.000 ! spec=SH3CFc13noe, no=190, id=178, vol=2.820000e+09
assign (segid "    " and resid   45 and name   HB) (segid "    " and resid   32 and name  HB2) 2.851 1.016 1.016 weight 1.000 ! spec=SH3CFc13noe, no=191, id=179, vol=7.640000e+08
assign (segid "    " and resid   45 and name HG21) (segid "    " and resid   50 and name  HB1) 3.501 1.532 1.532 weight 1.000 ! spec=SH3CFc13noe, no=195, id=183, vol=2.230000e+08
assign (segid "    " and resid   46 and name   HA) (segid "    " and resid   46 and name  HB1) 2.606 0.849 0.849 weight 1.000 ! spec=SH3CFc13noe, no=196, id=184, vol=1.310000e+09
assign (segid "    " and resid   46 and name   HA) (segid "    " and resid   31 and name   HB) 3.325 1.382 1.382 weight 1.000 ! spec=SH3CFc13noe, no=197, id=185, vol=3.040000e+08
assign (segid "    " and resid   51 and name  HB1) (segid "    " and resid   23 and name HD22) 2.257 0.636 0.636 weight 1.000 ! spec=SH3CFc13noe, no=199, id=187, vol=3.110000e+09
assign (segid "    " and resid   47 and name  HB2) (segid "    " and resid   30 and name HD12) 3.562 1.586 1.586 weight 1.000 ! spec=SH3CFc13noe, no=200, id=188, vol=2.010000e+08
assign (segid "    " and resid   47 and name  HB2) (segid "    " and resid   47 and name  HD2) 2.255 0.636 0.636 weight 1.000 ! spec=SH3CFc13noe, no=202, id=190, vol=3.120000e+09
assign (segid "    " and resid   47 and name  HB2) (segid "    " and resid   47 and name   HA) 2.361 0.697 0.697 weight 1.000 ! spec=SH3CFc13noe, no=203, id=191, vol=2.370000e+09
assign (segid "    " and resid   47 and name  HG2) (segid "    " and resid   47 and name  HD1) 1.997 0.498 0.498 weight 1.000 ! spec=SH3CFc13noe, no=204, id=192, vol=6.480000e+09
assign (segid "    " and resid   47 and name  HD2) (segid "    " and resid   47 and name   HA) 3.257 1.326 1.326 weight 1.000 ! spec=SH3CFc13noe, no=206, id=194, vol=3.440000e+08
assign (segid "    " and resid   47 and name  HD2) (segid "    " and resid   30 and name HD12) 2.950 1.088 1.088 weight 1.000 ! spec=SH3CFc13noe, no=207, id=195, vol=6.230000e+08
assign (segid "    " and resid   47 and name  HD1) (segid "    " and resid   30 and name HD12) 3.054 1.166 1.166 weight 1.000 ! spec=SH3CFc13noe, no=208, id=196, vol=5.060000e+08
assign (segid "    " and resid   26 and name  HD2) (segid "    " and resid   26 and name  HB1) 2.407 0.724 0.724 weight 1.000 ! spec=SH3CFc13noe, no=209, id=197, vol=2.110000e+09
assign (segid "    " and resid   47 and name  HB2) (segid "    " and resid   47 and name  HD1) 2.402 0.721 0.721 weight 1.000 ! spec=SH3CFc13noe, no=211, id=199, vol=2.140000e+09
assign (segid "    " and resid   47 and name   HA) (segid "    " and resid   50 and name  HD2) 2.467 0.761 0.761 weight 1.000 ! spec=SH3CFc13noe, no=213, id=201, vol=1.820000e+09
assign (segid "    " and resid   48 and name  HD1) (segid "    " and resid   48 and name  HB2) 1.864 0.434 0.434 weight 1.000 ! spec=SH3CFc13noe, no=218, id=206, vol=9.780000e+09
assign (segid "    " and resid   48 and name  HB1) (segid "    " and resid   48 and name   HA) 2.288 0.655 0.655 weight 1.000 ! spec=SH3CFc13noe, no=219, id=207, vol=2.860000e+09
assign (segid "    " and resid    6 and name  HB2) (segid "    " and resid    6 and name   HA) 1.967 0.484 0.484 weight 1.000 ! spec=SH3CFc13noe, no=220, id=208, vol=7.080000e+09
assign (segid "    " and resid   48 and name  HG1) (segid "    " and resid   48 and name  HD1) 2.108 0.555 0.555 weight 1.000 ! spec=SH3CFc13noe, no=222, id=210, vol=4.680000e+09
assign (segid "    " and resid   49 and name   HA) (segid "    " and resid   49 and name  HG1) 2.806 0.984 0.984 weight 1.000 ! spec=SH3CFc13noe, no=224, id=212, vol=8.410000e+08
assign (segid "    " and resid   49 and name   HA) (segid "    " and resid   49 and name HG21) 2.813 0.989 0.989 weight 1.000 ! spec=SH3CFc13noe, no=225, id=213, vol=8.280000e+08
assign (segid "    " and resid   49 and name   HA) (segid "    " and resid   48 and name  HG1) 3.166 1.253 1.253 weight 1.000 ! spec=SH3CFc13noe, no=226, id=214, vol=4.080000e+08
assign (segid "    " and resid   49 and name   HB) (segid "    " and resid   49 and name HG21) 2.400 0.720 0.720 weight 1.000 ! spec=SH3CFc13noe, no=228, id=216, vol=2.150000e+09
assign (segid "    " and resid   49 and name   HB) (segid "    " and resid   49 and name  HG1) 2.342 0.685 0.685 weight 1.000 ! spec=SH3CFc13noe, no=230, id=217, vol=2.490000e+09
assign (segid "    " and resid   49 and name HG21) (segid "    " and resid   49 and name  HG1) 2.130 0.567 0.567 weight 1.000 ! spec=SH3CFc13noe, no=233, id=220, vol=4.400000e+09
assign (segid "    " and resid   49 and name HG21) (segid "    " and resid   48 and name  HB2) 3.064 1.174 1.174 weight 1.000 ! spec=SH3CFc13noe, no=234, id=221, vol=4.960000e+08
assign (segid "    " and resid   50 and name  HB1) (segid "    " and resid   50 and name   HA) 2.380 0.708 0.708 weight 1.000 ! spec=SH3CFc13noe, no=235, id=222, vol=2.260000e+09
assign (segid "    " and resid   50 and name  HG2) (segid "    " and resid   50 and name  HB2) 2.382 0.709 0.709 weight 1.000 ! spec=SH3CFc13noe, no=239, id=226, vol=2.250000e+09
assign (segid "    " and resid   50 and name  HB2) (segid "    " and resid   50 and name  HG1) 2.500 0.782 0.782 weight 1.000 ! spec=SH3CFc13noe, no=242, id=229, vol=1.680000e+09
assign (segid "    " and resid   50 and name  HD2) (segid "    " and resid   50 and name   HA) 2.174 0.591 0.591 weight 1.000 ! spec=SH3CFc13noe, no=244, id=231, vol=3.890000e+09
assign (segid "    " and resid   50 and name  HD2) (segid "    " and resid   50 and name  HB1) 2.899 1.050 1.050 weight 1.000 ! spec=SH3CFc13noe, no=245, id=232, vol=6.920000e+08
assign (segid "    " and resid   51 and name  HG2) (segid "    " and resid   51 and name  HB1) 2.394 0.717 0.717 weight 1.000 ! spec=SH3CFc13noe, no=246, id=233, vol=2.180000e+09
assign (segid "    " and resid   51 and name  HG1) (segid "    " and resid   51 and name  HB1) 2.179 0.593 0.593 weight 1.000 ! spec=SH3CFc13noe, no=247, id=234, vol=3.840000e+09
assign (segid "    " and resid   51 and name  HG2) (segid "    " and resid   51 and name   HA) 3.127 1.222 1.222 weight 1.000 ! spec=SH3CFc13noe, no=248, id=235, vol=4.390000e+08
assign (segid "    " and resid   51 and name  HG2) (segid "    " and resid   49 and name HG21) 2.652 0.879 0.879 weight 1.000 ! spec=SH3CFc13noe, no=250, id=237, vol=1.180000e+09
assign (segid "    " and resid   51 and name  HG1) (segid "    " and resid   49 and name HG21) 3.708 1.719 1.719 weight 1.000 ! spec=SH3CFc13noe, no=251, id=238, vol=1.580000e+08
assign (segid "    " and resid   51 and name  HG2) (segid "    " and resid   23 and name HD22) 2.909 1.058 1.058 weight 1.000 ! spec=SH3CFc13noe, no=253, id=240, vol=6.770000e+08
assign (segid "    " and resid   51 and name  HB2) (segid "    " and resid   49 and name  HG1) 2.554 0.815 0.815 weight 1.000 ! spec=SH3CFc13noe, no=254, id=241, vol=1.480000e+09
assign (segid "    " and resid   51 and name  HB1) (segid "    " and resid   49 and name  HG1) 3.451 1.489 1.489 weight 1.000 ! spec=SH3CFc13noe, no=255, id=242, vol=2.430000e+08
assign (segid "    " and resid   52 and name   HA) (segid "    " and resid   45 and name   HA) 1.949 0.475 0.475 weight 1.000 ! spec=SH3CFc13noe, no=259, id=246, vol=7.500000e+09
assign (segid "    " and resid   52 and name   HA) (segid "    " and resid   52 and name  HB1) 2.887 1.042 1.042 weight 1.000 ! spec=SH3CFc13noe, no=260, id=247, vol=7.090000e+08
assign (segid "    " and resid   52 and name   HA) (segid "    " and resid   52 and name  HB2) 2.696 0.908 0.908 weight 1.000 ! spec=SH3CFc13noe, no=261, id=248, vol=1.070000e+09
assign (segid "    " and resid   45 and name HG21) (segid "    " and resid   52 and name  HB2) 2.726 0.929 0.929 weight 1.000 ! spec=SH3CFc13noe, no=264, id=251, vol=1.000000e+09
assign (segid "    " and resid   52 and name  HB1) (segid "    " and resid   45 and name HG21) 3.408 1.452 1.452 weight 1.000 ! spec=SH3CFc13noe, no=265, id=252, vol=2.620000e+08
assign (segid "    " and resid   52 and name  HB1) (segid "    " and resid   52 and name  HD2) 2.770 0.959 0.959 weight 1.000 ! spec=SH3CFc13noe, no=266, id=253, vol=9.080000e+08
assign (segid "    " and resid   52 and name  HB2) (segid "    " and resid   52 and name  HD2) 2.722 0.926 0.926 weight 1.000 ! spec=SH3CFc13noe, no=267, id=254, vol=1.010000e+09
assign (segid "    " and resid   53 and name  HA1) (segid "    " and resid   54 and name  HG1) 4.246 2.253 2.253 weight 1.000 ! spec=SH3CFc13noe, no=269, id=256, vol=7.010000e+07
assign (segid "    " and resid   53 and name  HA1) (segid "    " and resid   54 and name HG21) 3.086 1.191 1.191 weight 1.000 ! spec=SH3CFc13noe, no=270, id=257, vol=4.750000e+08
assign (segid "    " and resid   43 and name HG12) (segid "    " and resid   54 and name   HA) 3.692 1.704 1.704 weight 1.000 ! spec=SH3CFc13noe, no=273, id=260, vol=1.620000e+08
assign (segid "    " and resid   43 and name   HA) (segid "    " and resid   54 and name   HA) 2.072 0.537 0.537 weight 1.000 ! spec=SH3CFc13noe, no=275, id=262, vol=5.190000e+09
assign (segid "    " and resid   54 and name   HA) (segid "    " and resid   55 and name  HD1) 3.158 1.247 1.247 weight 1.000 ! spec=SH3CFc13noe, no=276, id=263, vol=4.140000e+08
assign (segid "    " and resid   54 and name   HA) (segid "    " and resid   54 and name   HB) 2.276 0.648 0.648 weight 1.000 ! spec=SH3CFc13noe, no=277, id=264, vol=2.950000e+09
assign (segid "    " and resid   54 and name   HB) (segid "    " and resid   54 and name HG21) 2.371 0.703 0.703 weight 1.000 ! spec=SH3CFc13noe, no=278, id=265, vol=2.310000e+09
assign (segid "    " and resid   54 and name   HB) (segid "    " and resid   43 and name HG12) 3.589 1.610 1.610 weight 1.000 ! spec=SH3CFc13noe, no=279, id=266, vol=1.920000e+08
    or (segid "    " and resid   54 and name   HB) (segid "    " and resid   43 and name HG11)
    or (segid "    " and resid   54 and name   HB) (segid "    " and resid   43 and name HG13)
assign (segid "    " and resid   54 and name   HA) (segid "    " and resid   54 and name HG21) 2.801 0.981 0.981 weight 1.000 ! spec=SH3CFc13noe, no=280, id=267, vol=8.500000e+08
assign (segid "    " and resid   54 and name HG21) (segid "    " and resid   54 and name  HG1) 2.423 0.734 0.734 weight 1.000 ! spec=SH3CFc13noe, no=281, id=268, vol=2.030000e+09
assign (segid "    " and resid   55 and name   HA) (segid "    " and resid   56 and name  HD2) 2.270 0.644 0.644 weight 1.000 ! spec=SH3CFc13noe, no=283, id=270, vol=3.000000e+09
assign (segid "    " and resid   55 and name  HB2) (segid "    " and resid   55 and name   HA) 2.835 1.005 1.005 weight 1.000 ! spec=SH3CFc13noe, no=284, id=271, vol=7.910000e+08
assign (segid "    " and resid   55 and name  HB2) (segid "    " and resid   55 and name  HD1) 2.765 0.956 0.956 weight 1.000 ! spec=SH3CFc13noe, no=285, id=272, vol=9.180000e+08
assign (segid "    " and resid   55 and name  HB1) (segid "    " and resid   55 and name  HB2) 2.476 0.767 0.767 weight 1.000 ! spec=SH3CFc13noe, no=286, id=273, vol=1.780000e+09
assign (segid "    " and resid   55 and name   HA) (segid "    " and resid   55 and name  HB1) 2.001 0.501 0.501 weight 1.000 ! spec=SH3CFc13noe, no=287, id=274, vol=6.390000e+09
assign (segid "    " and resid   55 and name  HB1) (segid "    " and resid   55 and name  HD1) 2.232 0.623 0.623 weight 1.000 ! spec=SH3CFc13noe, no=288, id=275, vol=3.320000e+09
assign (segid "    " and resid   56 and name   HA) (segid "    " and resid   41 and name   HA) 2.320 0.673 0.673 weight 1.000 ! spec=SH3CFc13noe, no=290, id=277, vol=2.630000e+09
assign (segid "    " and resid   56 and name   HA) (segid "    " and resid   55 and name  HD1) 4.406 2.427 2.427 weight 1.000 ! spec=SH3CFc13noe, no=291, id=278, vol=5.610000e+07
assign (segid "    " and resid   56 and name   HA) (segid "    " and resid   57 and name   HN) 2.203 0.607 0.607 weight 1.000 ! spec=SH3CFc13noe, no=292, id=279, vol=3.590000e+09
assign (segid "    " and resid   56 and name  HB2) (segid "    " and resid   56 and name   HA) 2.474 0.765 0.765 weight 1.000 ! spec=SH3CFc13noe, no=294, id=281, vol=1.790000e+09
assign (segid "    " and resid   56 and name  HG2) (segid "    " and resid   56 and name  HD1) 2.919 1.065 1.065 weight 1.000 ! spec=SH3CFc13noe, no=296, id=283, vol=6.640000e+08
assign (segid "    " and resid   57 and name  HA1) (segid "    " and resid   57 and name   HN) 2.282 0.651 0.651 weight 1.000 ! spec=SH3CFc13noe, no=304, id=291, vol=2.910000e+09
assign (segid "    " and resid   59 and name   HA) (segid "    " and resid   59 and name  HB2) 2.853 1.018 1.018 weight 1.000 ! spec=SH3CFc13noe, no=306, id=293, vol=7.610000e+08
assign (segid "    " and resid   59 and name   HA) (segid "    " and resid   59 and name  HB1) 2.898 1.050 1.050 weight 1.000 ! spec=SH3CFc13noe, no=309, id=296, vol=6.930000e+08
assign (segid "    " and resid   59 and name  HB1) (segid "    " and resid   25 and name HD12) 3.029 1.147 1.147 weight 1.000 ! spec=SH3CFc13noe, no=310, id=297, vol=5.320000e+08
    or (segid "    " and resid   59 and name  HB1) (segid "    " and resid   25 and name HD11)
    or (segid "    " and resid   59 and name  HB1) (segid "    " and resid   25 and name HD13)
assign (segid "    " and resid   59 and name  HB2) (segid "    " and resid   25 and name HD12) 3.039 1.155 1.155 weight 1.000 ! spec=SH3CFc13noe, no=311, id=298, vol=5.210000e+08
    or (segid "    " and resid   59 and name  HB2) (segid "    " and resid   25 and name HD11)
    or (segid "    " and resid   59 and name  HB2) (segid "    " and resid   25 and name HD13)
assign (segid "    " and resid   59 and name  HB2) (segid "    " and resid   60 and name HG12) 3.365 1.415 1.415 weight 1.000 ! spec=SH3CFc13noe, no=312, id=299, vol=2.830000e+08
assign (segid "    " and resid   60 and name   HA) (segid "    " and resid   60 and name   HB) 2.315 0.670 0.670 weight 1.000 ! spec=SH3CFc13noe, no=313, id=300, vol=2.670000e+09
assign (segid "    " and resid   60 and name   HB) (segid "    " and resid   60 and name HG22) 2.025 0.513 0.513 weight 1.000 ! spec=SH3CFc13noe, no=316, id=303, vol=5.950000e+09
assign (segid "    " and resid   60 and name   HB) (segid "    " and resid   60 and name HG12) 2.028 0.514 0.514 weight 1.000 ! spec=SH3CFc13noe, no=317, id=304, vol=5.910000e+09
assign (segid "    " and resid   60 and name   HB) (segid "    " and resid    9 and name  HD1) 2.511 0.788 0.788 weight 1.000 ! spec=SH3CFc13noe, no=319, id=306, vol=1.640000e+09
assign (segid "    " and resid   60 and name   HA) (segid "    " and resid   60 and name HG22) 2.773 0.961 0.961 weight 1.000 ! spec=SH3CFc13noe, no=320, id=307, vol=9.040000e+08
assign (segid "    " and resid   33 and name HG22) (segid "    " and resid   33 and name   HB) 2.175 0.591 0.591 weight 1.000 ! spec=SH3CFc13noe, no=321, id=308, vol=3.880000e+09
assign (segid "    " and resid   61 and name   HA) (segid "    " and resid   62 and name  HD1) 1.681 0.353 0.353 weight 1.000 ! spec=SH3CFc13noe, no=323, id=310, vol=1.820000e+10
assign (segid "    " and resid   61 and name  HB1) (segid "    " and resid   61 and name   HA) 1.879 0.441 0.441 weight 1.000 ! spec=SH3CFc13noe, no=326, id=313, vol=9.330000e+09
assign (segid "    " and resid   61 and name   HA) (segid "    " and resid   12 and name HD12) 3.170 1.256 1.256 weight 1.000 ! spec=SH3CFc13noe, no=327, id=314, vol=4.050000e+08
assign (segid "    " and resid   50 and name  HB2) (segid "    " and resid   50 and name   HA) 2.298 0.660 0.660 weight 1.000 ! spec=SH3CFc13noe, no=328, id=315, vol=2.790000e+09
assign (segid "    " and resid   61 and name  HB1) (segid "    " and resid   61 and name  HG1) 3.171 1.257 1.257 weight 1.000 ! spec=SH3CFc13noe, no=331, id=318, vol=4.040000e+08
assign (segid "    " and resid   61 and name  HB2) (segid "    " and resid   61 and name  HG1) 3.533 1.561 1.561 weight 1.000 ! spec=SH3CFc13noe, no=332, id=319, vol=2.110000e+08
assign (segid "    " and resid   61 and name  HB1) (segid "    " and resid   61 and name  HG2) 2.623 0.860 0.860 weight 1.000 ! spec=SH3CFc13noe, no=333, id=320, vol=1.260000e+09
assign (segid "    " and resid   61 and name  HB2) (segid "    " and resid   61 and name  HG2) 2.557 0.817 0.817 weight 1.000 ! spec=SH3CFc13noe, no=334, id=321, vol=1.470000e+09
assign (segid "    " and resid   62 and name   HA) (segid "    " and resid    9 and name   HA) 2.613 0.853 0.853 weight 1.000 ! spec=SH3CFc13noe, no=335, id=322, vol=1.290000e+09
assign (segid "    " and resid   62 and name   HA) (segid "    " and resid   63 and name   HN) 2.106 0.555 0.555 weight 1.000 ! spec=SH3CFc13noe, no=336, id=323, vol=4.700000e+09
assign (segid "    " and resid   62 and name   HA) (segid "    " and resid   62 and name  HB1) 2.263 0.640 0.640 weight 1.000 ! spec=SH3CFc13noe, no=338, id=325, vol=3.060000e+09
assign (segid "    " and resid   62 and name   HA) (segid "    " and resid   62 and name  HG1) 2.998 1.124 1.124 weight 1.000 ! spec=SH3CFc13noe, no=339, id=326, vol=5.650000e+08
assign (segid "    " and resid   62 and name   HA) (segid "    " and resid    9 and name  HB1) 3.032 1.149 1.149 weight 1.000 ! spec=SH3CFc13noe, no=340, id=327, vol=5.290000e+08
assign (segid "    " and resid   17 and name  HD1) (segid "    " and resid   16 and name   HA) 2.481 0.770 0.770 weight 1.000 ! spec=SH3CFc13noe, no=341, id=328, vol=1.760000e+09
assign (segid "    " and resid   61 and name   HA) (segid "    " and resid   62 and name  HD2) 2.221 0.617 0.617 weight 1.000 ! spec=SH3CFc13noe, no=342, id=329, vol=3.420000e+09
assign (segid "    " and resid   62 and name   HA) (segid "    " and resid   62 and name  HB2) 2.168 0.588 0.588 weight 1.000 ! spec=SH3CFc13noe, no=344, id=331, vol=3.950000e+09
assign (segid "    " and resid   24 and name  HG2) (segid "    " and resid   17 and name  HD1) 3.117 1.214 1.214 weight 1.000 ! spec=SH3CFc13noe, no=345, id=332, vol=4.480000e+08
assign (segid "    " and resid   65 and name  HB1) (segid "    " and resid    5 and name   HA) 3.365 1.415 1.415 weight 1.000 ! spec=SH3CFc13noe, no=346, id=333, vol=2.830000e+08
assign (segid "    " and resid    6 and name  HB1) (segid "    " and resid    6 and name HD12) 3.150 1.241 1.241 weight 1.000 ! spec=SH3CFc13noe, no=347, id=334, vol=4.200000e+08
assign (segid "    " and resid    6 and name  HB1) (segid "    " and resid    7 and name   HN) 3.262 1.330 1.330 weight 1.000 ! spec=SH3CFc13noe, no=348, id=335, vol=3.410000e+08
assign (segid "    " and resid   65 and name  HB2) (segid "    " and resid   65 and name   HA) 2.069 0.535 0.535 weight 1.000 ! spec=SH3CFc13noe, no=349, id=336, vol=5.230000e+09
assign (segid "    " and resid   63 and name  HB1) (segid "    " and resid   63 and name   HA) 2.465 0.760 0.760 weight 1.000 ! spec=SH3CFc13noe, no=350, id=337, vol=1.830000e+09
assign (segid "    " and resid   63 and name   HG) (segid "    " and resid   63 and name   HA) 2.491 0.775 0.775 weight 1.000 ! spec=SH3CFc13noe, no=352, id=339, vol=1.720000e+09
assign (segid "    " and resid   63 and name   HA) (segid "    " and resid   64 and name   HN) 2.181 0.595 0.595 weight 1.000 ! spec=SH3CFc13noe, no=355, id=342, vol=3.810000e+09
assign (segid "    " and resid   63 and name   HA) (segid "    " and resid   63 and name HD12) 3.470 1.506 1.506 weight 1.000 ! spec=SH3CFc13noe, no=356, id=343, vol=2.350000e+08
assign (segid "    " and resid   64 and name  HB1) (segid "    " and resid   64 and name   HA) 2.310 0.667 0.667 weight 1.000 ! spec=SH3CFc13noe, no=357, id=344, vol=2.700000e+09
assign (segid "    " and resid   64 and name  HB2) (segid "    " and resid   64 and name   HA) 2.342 0.685 0.685 weight 1.000 ! spec=SH3CFc13noe, no=358, id=345, vol=2.490000e+09
assign (segid "    " and resid    5 and name  HB2) (segid "    " and resid    5 and name   HA) 2.398 0.719 0.719 weight 1.000 ! spec=SH3CFc13noe, no=359, id=346, vol=2.160000e+09
assign (segid "    " and resid    4 and name   HA) (segid "    " and resid    4 and name  HG2) 3.234 1.307 1.307 weight 1.000 ! spec=SH3CFc13noe, no=360, id=347, vol=3.590000e+08
assign (segid "    " and resid    4 and name  HB1) (segid "    " and resid    4 and name   HA) 2.348 0.689 0.689 weight 1.000 ! spec=SH3CFc13noe, no=361, id=348, vol=2.450000e+09
assign (segid "    " and resid   22 and name  HG1) (segid "    " and resid   22 and name   HA) 3.134 1.228 1.228 weight 1.000 ! spec=SH3CFc13noe, no=363, id=350, vol=4.330000e+08
assign (segid "    " and resid   31 and name HG12) (segid "    " and resid   31 and name   HB) 2.616 0.856 0.856 weight 1.000 ! spec=SH3CFc13noe, no=368, id=355, vol=1.280000e+09
assign (segid "    " and resid    3 and name   HA) (segid "    " and resid    3 and name  HB2) 2.207 0.609 0.609 weight 1.000 ! spec=SH3CFc13noe, no=369, id=356, vol=3.550000e+09
assign (segid "    " and resid   14 and name   HA) (segid "    " and resid   25 and name  HB2) 2.772 0.961 0.961 weight 1.000 ! spec=SH3CFc13noe, no=370, id=357, vol=9.050000e+08
assign (segid "    " and resid    3 and name   HA) (segid "    " and resid    6 and name  HB2) 3.435 1.475 1.475 weight 1.000 ! spec=SH3CFc13noe, no=371, id=358, vol=2.500000e+08
assign (segid "    " and resid    3 and name   HA) (segid "    " and resid    3 and name   HN) 2.364 0.699 0.699 weight 1.000 ! spec=SH3CFc13noe, no=372, id=359, vol=2.350000e+09
assign (segid "    " and resid   14 and name   HA) (segid "    " and resid   27 and name   HN) 2.131 0.568 0.568 weight 1.000 ! spec=SH3CFc13noe, no=374, id=361, vol=4.380000e+09
assign (segid "    " and resid   14 and name   HA) (segid "    " and resid   26 and name   HA) 2.376 0.706 0.706 weight 1.000 ! spec=SH3CFc13noe, no=375, id=362, vol=2.280000e+09
assign (segid "    " and resid   43 and name HG22) (segid "    " and resid   54 and name   HA) 3.262 1.330 1.330 weight 1.000 ! spec=SH3CFc13noe, no=376, id=363, vol=3.410000e+08
assign (segid "    " and resid   46 and name  HB1) (segid "    " and resid   23 and name   HG) 3.583 1.605 1.605 weight 1.000 ! spec=SH3CFc13noe, no=377, id=364, vol=1.940000e+08
assign (segid "    " and resid   46 and name  HB1) (segid "    " and resid   23 and name HD22) 2.652 0.879 0.879 weight 1.000 ! spec=SH3CFc13noe, no=378, id=365, vol=1.180000e+09
assign (segid "    " and resid   46 and name  HB1) (segid "    " and resid   51 and name   HN) 2.751 0.946 0.946 weight 1.000 ! spec=SH3CFc13noe, no=379, id=366, vol=9.470000e+08
assign (segid "    " and resid   14 and name  HB1) (segid "    " and resid   15 and name   HN) 2.627 0.862 0.862 weight 1.000 ! spec=SH3CFc13noe, no=380, id=367, vol=1.250000e+09
assign (segid "    " and resid   14 and name  HB1) (segid "    " and resid   14 and name   HN) 2.738 0.937 0.937 weight 1.000 ! spec=SH3CFc13noe, no=381, id=368, vol=9.740000e+08
assign (segid "    " and resid    4 and name  HB2) (segid "    " and resid    4 and name   HA) 3.689 1.701 1.701 weight 1.000 ! spec=SH3CFc13noe, no=386, id=372, vol=1.630000e+08
assign (segid "    " and resid    6 and name  HB2) (segid "    " and resid    6 and name   HN) 2.325 0.676 0.676 weight 1.000 ! spec=SH3CFc13noe, no=389, id=375, vol=2.600000e+09
assign (segid "    " and resid    6 and name  HB1) (segid "    " and resid    6 and name   HN) 2.022 0.511 0.511 weight 1.000 ! spec=SH3CFc13noe, no=390, id=376, vol=6.000000e+09
assign (segid "    " and resid    6 and name HD22) (segid "    " and resid    6 and name   HA) 3.168 1.255 1.255 weight 1.000 ! spec=SH3CFc13noe, no=391, id=377, vol=4.060000e+08
assign (segid "    " and resid    7 and name  HB2) (segid "    " and resid    7 and name   HA) 2.827 0.999 0.999 weight 1.000 ! spec=SH3CFc13noe, no=392, id=378, vol=8.050000e+08
assign (segid "    " and resid    7 and name  HB1) (segid "    " and resid    7 and name   HA) 2.938 1.079 1.079 weight 1.000 ! spec=SH3CFc13noe, no=393, id=379, vol=6.390000e+08
assign (segid "    " and resid    7 and name  HB1) (segid "    " and resid    7 and name  HD2) 2.869 1.029 1.029 weight 1.000 ! spec=SH3CFc13noe, no=394, id=380, vol=7.360000e+08
assign (segid "    " and resid    7 and name  HB1) (segid "    " and resid    7 and name  HE2) 3.887 1.889 1.889 weight 1.000 ! spec=SH3CFc13noe, no=395, id=381, vol=1.190000e+08
assign (segid "    " and resid    7 and name  HB2) (segid "    " and resid    7 and name  HE2) 3.939 1.939 1.939 weight 1.000 ! spec=SH3CFc13noe, no=396, id=382, vol=1.100000e+08
assign (segid "    " and resid    7 and name  HB1) (segid "    " and resid    8 and name   HN) 2.948 1.086 1.086 weight 1.000 ! spec=SH3CFc13noe, no=397, id=383, vol=6.260000e+08
assign (segid "    " and resid    7 and name  HB2) (segid "    " and resid    8 and name   HN) 3.310 1.370 1.370 weight 1.000 ! spec=SH3CFc13noe, no=398, id=384, vol=3.120000e+08
assign (segid "    " and resid    7 and name  HB1) (segid "    " and resid    7 and name  HB2) 2.208 0.610 0.610 weight 1.000 ! spec=SH3CFc13noe, no=399, id=385, vol=3.540000e+09
assign (segid "    " and resid    8 and name   HA) (segid "    " and resid    9 and name  HD1) 3.945 1.945 1.945 weight 1.000 ! spec=SH3CFc13noe, no=401, id=387, vol=1.090000e+08
assign (segid "    " and resid    8 and name   HA) (segid "    " and resid    9 and name   HN) 2.382 0.709 0.709 weight 1.000 ! spec=SH3CFc13noe, no=404, id=390, vol=2.250000e+09
assign (segid "    " and resid    8 and name   HA) (segid "    " and resid    9 and name  HB1) 4.597 2.642 2.642 weight 1.000 ! spec=SH3CFc13noe, no=406, id=392, vol=4.350000e+07
assign (segid "    " and resid    8 and name   HA) (segid "    " and resid    8 and name  HB2) 2.792 0.975 0.975 weight 1.000 ! spec=SH3CFc13noe, no=407, id=393, vol=8.660000e+08
assign (segid "    " and resid    8 and name   HA) (segid "    " and resid    8 and name  HB1) 2.873 1.032 1.032 weight 1.000 ! spec=SH3CFc13noe, no=408, id=394, vol=7.300000e+08
assign (segid "    " and resid    8 and name  HB2) (segid "    " and resid   30 and name HG22) 3.085 1.190 1.190 weight 1.000 ! spec=SH3CFc13noe, no=411, id=396, vol=4.760000e+08
    or (segid "    " and resid    8 and name  HB2) (segid "    " and resid   30 and name HG21)
    or (segid "    " and resid    8 and name  HB2) (segid "    " and resid   30 and name HG23)
assign (segid "    " and resid    8 and name  HB2) (segid "    " and resid   63 and name HD12) 3.162 1.250 1.250 weight 1.000 ! spec=SH3CFc13noe, no=412, id=397, vol=4.110000e+08
assign (segid "    " and resid    8 and name  HB1) (segid "    " and resid   63 and name  HB2) 3.568 1.591 1.591 weight 1.000 ! spec=SH3CFc13noe, no=413, id=398, vol=1.990000e+08
assign (segid "    " and resid    8 and name  HB1) (segid "    " and resid   63 and name  HB1) 2.383 0.710 0.710 weight 1.000 ! spec=SH3CFc13noe, no=414, id=399, vol=2.240000e+09
assign (segid "    " and resid    8 and name  HB2) (segid "    " and resid   63 and name  HB2) 3.963 1.963 1.963 weight 1.000 ! spec=SH3CFc13noe, no=415, id=400, vol=1.060000e+08
assign (segid "    " and resid    8 and name  HB2) (segid "    " and resid   63 and name  HB1) 3.806 1.811 1.811 weight 1.000 ! spec=SH3CFc13noe, no=416, id=401, vol=1.350000e+08
assign (segid "    " and resid    8 and name  HB2) (segid "    " and resid    8 and name   HN) 3.172 1.258 1.258 weight 1.000 ! spec=SH3CFc13noe, no=420, id=405, vol=4.030000e+08
assign (segid "    " and resid    9 and name   HA) (segid "    " and resid    9 and name  HD1) 3.283 1.347 1.347 weight 1.000 ! spec=SH3CFc13noe, no=421, id=406, vol=3.280000e+08
assign (segid "    " and resid    9 and name   HA) (segid "    " and resid    9 and name  HB1) 2.429 0.737 0.737 weight 1.000 ! spec=SH3CFc13noe, no=422, id=407, vol=2.000000e+09
assign (segid "    " and resid   63 and name   HG) (segid "    " and resid    9 and name   HA) 2.819 0.993 0.993 weight 1.000 ! spec=SH3CFc13noe, no=423, id=408, vol=8.180000e+08
assign (segid "    " and resid    9 and name   HA) (segid "    " and resid   63 and name HD12) 2.613 0.853 0.853 weight 1.000 ! spec=SH3CFc13noe, no=424, id=409, vol=1.290000e+09
assign (segid "    " and resid    9 and name   HA) (segid "    " and resid   63 and name   HN) 2.590 0.839 0.839 weight 1.000 ! spec=SH3CFc13noe, no=425, id=410, vol=1.360000e+09
assign (segid "    " and resid    9 and name  HB2) (segid "    " and resid    9 and name  HE1) 3.667 1.680 1.680 weight 1.000 ! spec=SH3CFc13noe, no=426, id=411, vol=1.690000e+08
assign (segid "    " and resid    9 and name  HB2) (segid "    " and resid    9 and name  HD1) 6.748 5.691 5.691 weight 1.000 ! spec=SH3CFc13noe, no=427, id=412, vol=4.350000e+06
assign (segid "    " and resid    9 and name  HB1) (segid "    " and resid    9 and name  HD1) 2.458 0.755 0.755 weight 1.000 ! spec=SH3CFc13noe, no=428, id=413, vol=1.860000e+09
assign (segid "    " and resid    9 and name  HB1) (segid "    " and resid    9 and name  HE1) 3.583 1.605 1.605 weight 1.000 ! spec=SH3CFc13noe, no=429, id=414, vol=1.940000e+08
assign (segid "    " and resid    9 and name  HB2) (segid "    " and resid   60 and name HG22) 6.961 6.056 6.056 weight 1.000 ! spec=SH3CFc13noe, no=430, id=415, vol=3.610000e+06
assign (segid "    " and resid    9 and name  HB1) (segid "    " and resid   60 and name HG22) 3.225 1.300 1.300 weight 1.000 ! spec=SH3CFc13noe, no=431, id=416, vol=3.650000e+08
assign (segid "    " and resid    9 and name  HB2) (segid "    " and resid   60 and name HG12) 3.011 1.133 1.133 weight 1.000 ! spec=SH3CFc13noe, no=433, id=418, vol=5.510000e+08
assign (segid "    " and resid   30 and name   HA) (segid "    " and resid   10 and name   HA) 2.768 0.958 0.958 weight 1.000 ! spec=SH3CFc13noe, no=436, id=421, vol=9.120000e+08
assign (segid "    " and resid   10 and name   HA) (segid "    " and resid   11 and name   HN) 2.371 0.703 0.703 weight 1.000 ! spec=SH3CFc13noe, no=437, id=422, vol=2.310000e+09
assign (segid "    " and resid   10 and name   HA) (segid "    " and resid   31 and name   HN) 2.521 0.794 0.794 weight 1.000 ! spec=SH3CFc13noe, no=438, id=423, vol=1.600000e+09
assign (segid "    " and resid   10 and name   HA) (segid "    " and resid   10 and name  HG2) 2.210 0.611 0.611 weight 1.000 ! spec=SH3CFc13noe, no=439, id=424, vol=3.520000e+09
assign (segid "    " and resid   10 and name   HA) (segid "    " and resid   30 and name HG12) 2.991 1.119 1.119 weight 1.000 ! spec=SH3CFc13noe, no=440, id=425, vol=5.730000e+08
assign (segid "    " and resid   10 and name   HA) (segid "    " and resid   11 and name  HB2) 3.254 1.323 1.323 weight 1.000 ! spec=SH3CFc13noe, no=441, id=426, vol=3.460000e+08
assign (segid "    " and resid   10 and name   HA) (segid "    " and resid   30 and name HD12) 3.086 1.191 1.191 weight 1.000 ! spec=SH3CFc13noe, no=442, id=427, vol=4.750000e+08
assign (segid "    " and resid   10 and name   HA) (segid "    " and resid   30 and name HG11) 2.773 0.961 0.961 weight 1.000 ! spec=SH3CFc13noe, no=443, id=428, vol=9.030000e+08
assign (segid "    " and resid   10 and name  HB2) (segid "    " and resid   10 and name   HA) 2.722 0.926 0.926 weight 1.000 ! spec=SH3CFc13noe, no=444, id=429, vol=1.010000e+09
assign (segid "    " and resid   10 and name  HB1) (segid "    " and resid   10 and name   HA) 2.613 0.853 0.853 weight 1.000 ! spec=SH3CFc13noe, no=445, id=430, vol=1.290000e+09
assign (segid "    " and resid   10 and name  HB1) (segid "    " and resid   63 and name HD12) 3.774 1.781 1.781 weight 1.000 ! spec=SH3CFc13noe, no=446, id=431, vol=1.420000e+08
assign (segid "    " and resid   10 and name  HB2) (segid "    " and resid   63 and name HD12) 3.116 1.213 1.213 weight 1.000 ! spec=SH3CFc13noe, no=447, id=432, vol=4.490000e+08
assign (segid "    " and resid   26 and name  HD1) (segid "    " and resid   26 and name  HB2) 3.522 1.551 1.551 weight 1.000 ! spec=SH3CFc13noe, no=449, id=434, vol=2.150000e+08
assign (segid "    " and resid   10 and name  HG2) (segid "    " and resid   11 and name  HB2) 2.984 1.113 1.113 weight 1.000 ! spec=SH3CFc13noe, no=455, id=439, vol=5.820000e+08
assign (segid "    " and resid   10 and name  HG2) (segid "    " and resid   61 and name  HG1) 3.172 1.258 1.258 weight 1.000 ! spec=SH3CFc13noe, no=456, id=440, vol=4.030000e+08
assign (segid "    " and resid   11 and name   HA) (segid "    " and resid   60 and name   HA) 1.721 0.370 0.370 weight 1.000 ! spec=SH3CFc13noe, no=461, id=444, vol=1.580000e+10
assign (segid "    " and resid   11 and name  HB2) (segid "    " and resid   29 and name  HB2) 3.077 1.183 1.183 weight 1.000 ! spec=SH3CFc13noe, no=463, id=446, vol=4.840000e+08
assign (segid "    " and resid   11 and name  HB2) (segid "    " and resid   28 and name  HA1) 2.965 1.099 1.099 weight 1.000 ! spec=SH3CFc13noe, no=465, id=448, vol=6.040000e+08
assign (segid "    " and resid   11 and name   HA) (segid "    " and resid   11 and name  HB2) 2.540 0.806 0.806 weight 1.000 ! spec=SH3CFc13noe, no=466, id=449, vol=1.530000e+09
assign (segid "    " and resid   11 and name  HB2) (segid "    " and resid   12 and name   HN) 3.044 1.158 1.158 weight 1.000 ! spec=SH3CFc13noe, no=469, id=452, vol=5.160000e+08
assign (segid "    " and resid   11 and name  HB2) (segid "    " and resid   28 and name   HN) 2.671 0.892 0.892 weight 1.000 ! spec=SH3CFc13noe, no=471, id=454, vol=1.130000e+09
assign (segid "    " and resid   11 and name  HB2) (segid "    " and resid   10 and name  HG1) 3.451 1.489 1.489 weight 1.000 ! spec=SH3CFc13noe, no=477, id=458, vol=2.430000e+08
assign (segid "    " and resid   59 and name   HA) (segid "    " and resid   12 and name  HB2) 2.394 0.717 0.717 weight 1.000 ! spec=SH3CFc13noe, no=478, id=459, vol=2.180000e+09
assign (segid "    " and resid   59 and name   HA) (segid "    " and resid   12 and name HD12) 2.375 0.705 0.705 weight 1.000 ! spec=SH3CFc13noe, no=479, id=460, vol=2.290000e+09
assign (segid "    " and resid   47 and name   HA) (segid "    " and resid   46 and name  HB1) 3.659 1.674 1.674 weight 1.000 ! spec=SH3CFc13noe, no=480, id=461, vol=1.710000e+08
assign (segid "    " and resid   59 and name   HA) (segid "    " and resid   59 and name  HD1) 3.550 1.576 1.576 weight 1.000 ! spec=SH3CFc13noe, no=481, id=462, vol=2.050000e+08
assign (segid "    " and resid   12 and name   HA) (segid "    " and resid   12 and name HD22) 2.233 0.623 0.623 weight 1.000 ! spec=SH3CFc13noe, no=482, id=463, vol=3.310000e+09
assign (segid "    " and resid   12 and name   HA) (segid "    " and resid   12 and name  HB2) 2.944 1.083 1.083 weight 1.000 ! spec=SH3CFc13noe, no=483, id=464, vol=6.310000e+08
assign (segid "    " and resid   12 and name   HA) (segid "    " and resid   27 and name   HA) 3.377 1.425 1.425 weight 1.000 ! spec=SH3CFc13noe, no=485, id=466, vol=2.770000e+08
assign (segid "    " and resid   12 and name   HA) (segid "    " and resid   12 and name   HN) 2.993 1.120 1.120 weight 1.000 ! spec=SH3CFc13noe, no=486, id=467, vol=5.710000e+08
assign (segid "    " and resid   12 and name  HB2) (segid "    " and resid   12 and name   HG) 2.945 1.084 1.084 weight 1.000 ! spec=SH3CFc13noe, no=487, id=468, vol=6.300000e+08
assign (segid "    " and resid   12 and name  HB1) (segid "    " and resid   12 and name   HG) 3.121 1.218 1.218 weight 1.000 ! spec=SH3CFc13noe, no=488, id=469, vol=4.440000e+08
assign (segid "    " and resid   12 and name  HB1) (segid "    " and resid   12 and name  HB2) 2.331 0.679 0.679 weight 1.000 ! spec=SH3CFc13noe, no=489, id=470, vol=2.560000e+09
assign (segid "    " and resid   12 and name  HB1) (segid "    " and resid   12 and name   HA) 2.905 1.055 1.055 weight 1.000 ! spec=SH3CFc13noe, no=493, id=473, vol=6.830000e+08
assign (segid "    " and resid   12 and name  HB1) (segid "    " and resid   13 and name  HD1) 2.483 0.771 0.771 weight 1.000 ! spec=SH3CFc13noe, no=494, id=474, vol=1.750000e+09
assign (segid "    " and resid   12 and name  HB2) (segid "    " and resid   13 and name  HD1) 2.726 0.929 0.929 weight 1.000 ! spec=SH3CFc13noe, no=495, id=475, vol=1.000000e+09
assign (segid "    " and resid   12 and name  HB1) (segid "    " and resid   13 and name   HN) 2.988 1.116 1.116 weight 1.000 ! spec=SH3CFc13noe, no=497, id=477, vol=5.770000e+08
assign (segid "    " and resid   12 and name  HB2) (segid "    " and resid   12 and name HD12) 2.403 0.722 0.722 weight 1.000 ! spec=SH3CFc13noe, no=498, id=478, vol=2.130000e+09
assign (segid "    " and resid   12 and name  HB1) (segid "    " and resid   12 and name HD12) 2.863 1.025 1.025 weight 1.000 ! spec=SH3CFc13noe, no=499, id=479, vol=7.450000e+08
assign (segid "    " and resid   12 and name HD12) (segid "    " and resid   12 and name   HA) 3.397 1.443 1.443 weight 1.000 ! spec=SH3CFc13noe, no=500, id=480, vol=2.670000e+08
assign (segid "    " and resid   12 and name HD12) (segid "    " and resid   11 and name   HA) 4.087 2.088 2.088 weight 1.000 ! spec=SH3CFc13noe, no=502, id=482, vol=8.810000e+07
assign (segid "    " and resid   12 and name HD12) (segid "    " and resid   60 and name   HA) 2.652 0.879 0.879 weight 1.000 ! spec=SH3CFc13noe, no=503, id=483, vol=1.180000e+09
assign (segid "    " and resid   12 and name HD12) (segid "    " and resid   13 and name   HN) 3.548 1.573 1.573 weight 1.000 ! spec=SH3CFc13noe, no=504, id=484, vol=2.060000e+08
assign (segid "    " and resid   12 and name HD12) (segid "    " and resid   13 and name  HD1) 3.353 1.405 1.405 weight 1.000 ! spec=SH3CFc13noe, no=505, id=485, vol=2.890000e+08
assign (segid "    " and resid   12 and name HD12) (segid "    " and resid   60 and name   HN) 2.067 0.534 0.534 weight 1.000 ! spec=SH3CFc13noe, no=507, id=486, vol=5.260000e+09
assign (segid "    " and resid   13 and name  HB2) (segid "    " and resid   13 and name  HD1) 2.729 0.931 0.931 weight 1.000 ! spec=SH3CFc13noe, no=508, id=487, vol=9.930000e+08
assign (segid "    " and resid   13 and name  HB1) (segid "    " and resid   13 and name  HD1) 1.986 0.493 0.493 weight 1.000 ! spec=SH3CFc13noe, no=509, id=488, vol=6.700000e+09
assign (segid "    " and resid   13 and name  HB1) (segid "    " and resid   13 and name  HE1) 3.670 1.684 1.684 weight 1.000 ! spec=SH3CFc13noe, no=510, id=489, vol=1.680000e+08
assign (segid "    " and resid   48 and name  HG1) (segid "    " and resid   48 and name  HD2) 2.938 1.079 1.079 weight 1.000 ! spec=SH3CFc13noe, no=511, id=490, vol=6.380000e+08
assign (segid "    " and resid   13 and name  HB1) (segid "    " and resid   13 and name  HB2) 2.221 0.617 0.617 weight 1.000 ! spec=SH3CFc13noe, no=512, id=491, vol=3.420000e+09
assign (segid "    " and resid   13 and name  HB2) (segid "    " and resid   13 and name   HA) 2.656 0.882 0.882 weight 1.000 ! spec=SH3CFc13noe, no=514, id=493, vol=1.170000e+09
assign (segid "    " and resid   13 and name  HB1) (segid "    " and resid   13 and name   HA) 2.476 0.767 0.767 weight 1.000 ! spec=SH3CFc13noe, no=515, id=494, vol=1.780000e+09
assign (segid "    " and resid   12 and name HD12) (segid "    " and resid   61 and name  HD2) 3.635 1.652 1.652 weight 1.000 ! spec=SH3CFc13noe, no=518, id=497, vol=1.780000e+08
assign (segid "    " and resid   12 and name HD12) (segid "    " and resid   61 and name  HB1) 3.243 1.315 1.315 weight 1.000 ! spec=SH3CFc13noe, no=519, id=498, vol=3.530000e+08
assign (segid "    " and resid   12 and name HD12) (segid "    " and resid   61 and name  HB2) 4.670 2.726 2.726 weight 1.000 ! spec=SH3CFc13noe, no=520, id=499, vol=3.960000e+07
assign (segid "    " and resid   12 and name HD12) (segid "    " and resid   12 and name   HG) 1.863 0.434 0.434 weight 1.000 ! spec=SH3CFc13noe, no=521, id=500, vol=9.830000e+09
assign (segid "    " and resid   12 and name HD12) (segid "    " and resid   61 and name  HE2) 3.192 1.274 1.274 weight 1.000 ! spec=SH3CFc13noe, no=523, id=501, vol=3.880000e+08
assign (segid "    " and resid   12 and name   HA) (segid "    " and resid   12 and name   HG) 2.022 0.511 0.511 weight 1.000 ! spec=SH3CFc13noe, no=527, id=504, vol=6.010000e+09
assign (segid "    " and resid   11 and name   HA) (segid "    " and resid   12 and name   HG) 3.328 1.385 1.385 weight 1.000 ! spec=SH3CFc13noe, no=528, id=505, vol=3.020000e+08
assign (segid "    " and resid   12 and name   HG) (segid "    " and resid   61 and name   HN) 3.589 1.610 1.610 weight 1.000 ! spec=SH3CFc13noe, no=532, id=509, vol=1.920000e+08
assign (segid "    " and resid   13 and name  HB2) (segid "    " and resid   13 and name  HE1) 4.902 3.003 3.003 weight 1.000 ! spec=SH3CFc13noe, no=535, id=512, vol=2.960000e+07
assign (segid "    " and resid   13 and name  HB2) (segid "    " and resid   13 and name   HN) 3.038 1.154 1.154 weight 1.000 ! spec=SH3CFc13noe, no=536, id=513, vol=5.220000e+08
assign (segid "    " and resid   14 and name   HA) (segid "    " and resid   27 and name  HB1) 3.645 1.661 1.661 weight 1.000 ! spec=SH3CFc13noe, no=538, id=515, vol=1.750000e+08
assign (segid "    " and resid   14 and name   HA) (segid "    " and resid   27 and name  HB2) 3.102 1.203 1.203 weight 1.000 ! spec=SH3CFc13noe, no=539, id=516, vol=4.610000e+08
assign (segid "    " and resid   46 and name  HB2) (segid "    " and resid   51 and name   HN) 2.593 0.841 0.841 weight 1.000 ! spec=SH3CFc13noe, no=540, id=517, vol=1.350000e+09
assign (segid "    " and resid   52 and name  HB2) (segid "    " and resid   53 and name   HN) 2.967 1.100 1.100 weight 1.000 ! spec=SH3CFc13noe, no=542, id=519, vol=6.020000e+08
assign (segid "    " and resid   52 and name  HB1) (segid "    " and resid   51 and name   HA) 3.117 1.214 1.214 weight 1.000 ! spec=SH3CFc13noe, no=543, id=520, vol=4.480000e+08
assign (segid "    " and resid   52 and name  HB2) (segid "    " and resid   51 and name   HA) 3.334 1.389 1.389 weight 1.000 ! spec=SH3CFc13noe, no=544, id=521, vol=2.990000e+08
assign (segid "    " and resid   52 and name   HA) (segid "    " and resid   23 and name   HG) 3.545 1.571 1.571 weight 1.000 ! spec=SH3CFc13noe, no=545, id=522, vol=2.070000e+08
assign (segid "    " and resid   52 and name   HA) (segid "    " and resid   23 and name HD22) 3.091 1.194 1.194 weight 1.000 ! spec=SH3CFc13noe, no=546, id=523, vol=4.710000e+08
assign (segid "    " and resid   52 and name   HA) (segid "    " and resid   45 and name HG21) 3.192 1.274 1.274 weight 1.000 ! spec=SH3CFc13noe, no=547, id=524, vol=3.880000e+08
assign (segid "    " and resid   52 and name   HA) (segid "    " and resid   45 and name   HB) 3.753 1.760 1.760 weight 1.000 ! spec=SH3CFc13noe, no=548, id=525, vol=1.470000e+08
assign (segid "    " and resid   52 and name   HA) (segid "    " and resid   52 and name  HD2) 3.107 1.207 1.207 weight 1.000 ! spec=SH3CFc13noe, no=549, id=526, vol=4.560000e+08
assign (segid "    " and resid   52 and name   HA) (segid "    " and resid   53 and name   HN) 2.322 0.674 0.674 weight 1.000 ! spec=SH3CFc13noe, no=550, id=527, vol=2.620000e+09
assign (segid "    " and resid   52 and name   HA) (segid "    " and resid   46 and name  HB1) 4.678 2.735 2.735 weight 1.000 ! spec=SH3CFc13noe, no=551, id=528, vol=3.920000e+07
assign (segid "    " and resid   15 and name   HA) (segid "    " and resid   15 and name  HB1) 2.888 1.042 1.042 weight 1.000 ! spec=SH3CFc13noe, no=553, id=530, vol=7.080000e+08
assign (segid "    " and resid   15 and name   HA) (segid "    " and resid   15 and name  HB2) 2.738 0.937 0.937 weight 1.000 ! spec=SH3CFc13noe, no=554, id=531, vol=9.740000e+08
assign (segid "    " and resid   15 and name   HA) (segid "    " and resid   16 and name   HB) 3.171 1.257 1.257 weight 1.000 ! spec=SH3CFc13noe, no=555, id=532, vol=4.040000e+08
assign (segid "    " and resid   15 and name   HA) (segid "    " and resid   16 and name HG12) 3.270 1.336 1.336 weight 1.000 ! spec=SH3CFc13noe, no=556, id=533, vol=3.360000e+08
assign (segid "    " and resid   15 and name   HA) (segid "    " and resid   15 and name  HD1) 3.121 1.218 1.218 weight 1.000 ! spec=SH3CFc13noe, no=557, id=534, vol=4.440000e+08
assign (segid "    " and resid   15 and name  HB1) (segid "    " and resid   15 and name  HD1) 3.652 1.667 1.667 weight 1.000 ! spec=SH3CFc13noe, no=559, id=536, vol=1.730000e+08
assign (segid "    " and resid   15 and name  HB2) (segid "    " and resid   15 and name  HE1) 3.652 1.667 1.667 weight 1.000 ! spec=SH3CFc13noe, no=560, id=537, vol=1.730000e+08
assign (segid "    " and resid   15 and name  HB1) (segid "    " and resid   25 and name HD12) 2.407 0.724 0.724 weight 1.000 ! spec=SH3CFc13noe, no=561, id=538, vol=2.110000e+09
assign (segid "    " and resid   16 and name   HB) (segid "    " and resid   16 and name   HA) 2.351 0.691 0.691 weight 1.000 ! spec=SH3CFc13noe, no=563, id=540, vol=2.430000e+09
assign (segid "    " and resid   16 and name   HB) (segid "    " and resid   17 and name  HD1) 3.618 1.636 1.636 weight 1.000 ! spec=SH3CFc13noe, no=564, id=541, vol=1.830000e+08
assign (segid "    " and resid   16 and name HD12) (segid "    " and resid   16 and name HG12) 2.498 0.780 0.780 weight 1.000 ! spec=SH3CFc13noe, no=565, id=542, vol=1.690000e+09
assign (segid "    " and resid   16 and name HD12) (segid "    " and resid   16 and name   HB) 2.774 0.962 0.962 weight 1.000 ! spec=SH3CFc13noe, no=566, id=543, vol=9.010000e+08
assign (segid "    " and resid   16 and name HD12) (segid "    " and resid   24 and name  HG1) 3.542 1.568 1.568 weight 1.000 ! spec=SH3CFc13noe, no=567, id=544, vol=2.080000e+08
assign (segid "    " and resid   16 and name HD12) (segid "    " and resid   14 and name  HB1) 3.811 1.816 1.816 weight 1.000 ! spec=SH3CFc13noe, no=569, id=546, vol=1.340000e+08
assign (segid "    " and resid   16 and name HD12) (segid "    " and resid   16 and name   HA) 2.969 1.102 1.102 weight 1.000 ! spec=SH3CFc13noe, no=571, id=548, vol=6.000000e+08
assign (segid "    " and resid   16 and name HD12) (segid "    " and resid   16 and name HG11) 2.465 0.760 0.760 weight 1.000 ! spec=SH3CFc13noe, no=572, id=549, vol=1.830000e+09
assign (segid "    " and resid   16 and name HG22) (segid "    " and resid   16 and name   HN) 3.281 1.346 1.346 weight 1.000 ! spec=SH3CFc13noe, no=573, id=550, vol=3.290000e+08
assign (segid "    " and resid   17 and name  HB2) (segid "    " and resid   17 and name  HD1) 2.836 1.005 1.005 weight 1.000 ! spec=SH3CFc13noe, no=576, id=553, vol=7.900000e+08
assign (segid "    " and resid   17 and name  HD2) (segid "    " and resid   16 and name HD12) 2.806 0.984 0.984 weight 1.000 ! spec=SH3CFc13noe, no=577, id=554, vol=8.420000e+08
assign (segid "    " and resid   16 and name HD12) (segid "    " and resid   17 and name  HD1) 2.868 1.028 1.028 weight 1.000 ! spec=SH3CFc13noe, no=578, id=555, vol=7.380000e+08
assign (segid "    " and resid   17 and name  HD2) (segid "    " and resid   24 and name   HA) 2.849 1.015 1.015 weight 1.000 ! spec=SH3CFc13noe, no=579, id=556, vol=7.680000e+08
assign (segid "    " and resid   17 and name  HD1) (segid "    " and resid   24 and name   HA) 2.671 0.892 0.892 weight 1.000 ! spec=SH3CFc13noe, no=580, id=557, vol=1.130000e+09
assign (segid "    " and resid   17 and name  HD2) (segid "    " and resid   16 and name   HA) 2.606 0.849 0.849 weight 1.000 ! spec=SH3CFc13noe, no=581, id=558, vol=1.310000e+09
assign (segid "    " and resid   17 and name   HA) (segid "    " and resid   18 and name  HG2) 2.683 0.900 0.900 weight 1.000 ! spec=SH3CFc13noe, no=582, id=559, vol=1.100000e+09
assign (segid "    " and resid   17 and name   HA) (segid "    " and resid   17 and name  HB2) 2.545 0.810 0.810 weight 1.000 ! spec=SH3CFc13noe, no=583, id=560, vol=1.510000e+09
assign (segid "    " and resid   17 and name   HA) (segid "    " and resid   17 and name  HG2) 3.559 1.583 1.583 weight 1.000 ! spec=SH3CFc13noe, no=584, id=561, vol=2.020000e+08
assign (segid "    " and resid   17 and name   HA) (segid "    " and resid   17 and name  HG1) 3.173 1.259 1.259 weight 1.000 ! spec=SH3CFc13noe, no=586, id=563, vol=4.020000e+08
assign (segid "    " and resid   24 and name  HG1) (segid "    " and resid   17 and name  HD2) 3.183 1.266 1.266 weight 1.000 ! spec=SH3CFc13noe, no=587, id=564, vol=3.950000e+08
assign (segid "    " and resid   17 and name  HD2) (segid "    " and resid   24 and name  HG2) 2.992 1.119 1.119 weight 1.000 ! spec=SH3CFc13noe, no=588, id=565, vol=5.720000e+08
assign (segid "    " and resid   17 and name  HB1) (segid "    " and resid   17 and name  HD1) 3.303 1.364 1.364 weight 1.000 ! spec=SH3CFc13noe, no=590, id=567, vol=3.160000e+08
assign (segid "    " and resid   17 and name  HB1) (segid "    " and resid   17 and name  HD2) 3.334 1.389 1.389 weight 1.000 ! spec=SH3CFc13noe, no=591, id=568, vol=2.990000e+08
assign (segid "    " and resid   17 and name  HD2) (segid "    " and resid   17 and name  HB2) 2.302 0.662 0.662 weight 1.000 ! spec=SH3CFc13noe, no=592, id=569, vol=2.760000e+09
assign (segid "    " and resid   17 and name   HA) (segid "    " and resid   17 and name  HB1) 2.645 0.874 0.874 weight 1.000 ! spec=SH3CFc13noe, no=593, id=570, vol=1.200000e+09
assign (segid "    " and resid   17 and name  HB1) (segid "    " and resid   19 and name   HN) 2.740 0.939 0.939 weight 1.000 ! spec=SH3CFc13noe, no=594, id=571, vol=9.700000e+08
assign (segid "    " and resid   17 and name  HG1) (segid "    " and resid   24 and name   HA) 3.111 1.210 1.210 weight 1.000 ! spec=SH3CFc13noe, no=595, id=572, vol=4.530000e+08
assign (segid "    " and resid   17 and name  HG2) (segid "    " and resid   24 and name   HA) 3.155 1.245 1.245 weight 1.000 ! spec=SH3CFc13noe, no=596, id=573, vol=4.160000e+08
assign (segid "    " and resid   17 and name  HG1) (segid "    " and resid   17 and name  HD2) 3.255 1.325 1.325 weight 1.000 ! spec=SH3CFc13noe, no=597, id=574, vol=3.450000e+08
assign (segid "    " and resid   17 and name  HG1) (segid "    " and resid   17 and name  HD1) 2.545 0.810 0.810 weight 1.000 ! spec=SH3CFc13noe, no=598, id=575, vol=1.510000e+09
assign (segid "    " and resid   17 and name  HG2) (segid "    " and resid   17 and name  HD2) 3.059 1.170 1.170 weight 1.000 ! spec=SH3CFc13noe, no=599, id=576, vol=5.010000e+08
assign (segid "    " and resid   17 and name  HG2) (segid "    " and resid   17 and name  HD1) 2.722 0.926 0.926 weight 1.000 ! spec=SH3CFc13noe, no=600, id=577, vol=1.010000e+09
assign (segid "    " and resid   17 and name  HG1) (segid "    " and resid   24 and name  HG2) 3.086 1.191 1.191 weight 1.000 ! spec=SH3CFc13noe, no=601, id=578, vol=4.750000e+08
assign (segid "    " and resid   17 and name  HG2) (segid "    " and resid   24 and name  HG2) 3.300 1.361 1.361 weight 1.000 ! spec=SH3CFc13noe, no=602, id=579, vol=3.180000e+08
assign (segid "    " and resid   18 and name   HA) (segid "    " and resid   18 and name  HG2) 2.952 1.090 1.090 weight 1.000 ! spec=SH3CFc13noe, no=604, id=580, vol=6.200000e+08
assign (segid "    " and resid   18 and name   HA) (segid "    " and resid   18 and name  HB2) 2.578 0.830 0.830 weight 1.000 ! spec=SH3CFc13noe, no=606, id=582, vol=1.400000e+09
assign (segid "    " and resid   18 and name   HA) (segid "    " and resid   19 and name  HB2) 3.744 1.752 1.752 weight 1.000 ! spec=SH3CFc13noe, no=608, id=584, vol=1.490000e+08
assign (segid "    " and resid   18 and name   HA) (segid "    " and resid   19 and name   HN) 2.962 1.097 1.097 weight 1.000 ! spec=SH3CFc13noe, no=609, id=585, vol=6.080000e+08
assign (segid "    " and resid   18 and name   HA) (segid "    " and resid   18 and name  HB1) 2.119 0.561 0.561 weight 1.000 ! spec=SH3CFc13noe, no=611, id=587, vol=4.540000e+09
assign (segid "    " and resid   18 and name   HA) (segid "    " and resid   18 and name  HG1) 2.827 0.999 0.999 weight 1.000 ! spec=SH3CFc13noe, no=615, id=590, vol=8.050000e+08
assign (segid "    " and resid   19 and name  HB2) (segid "    " and resid   19 and name   HA) 2.620 0.858 0.858 weight 1.000 ! spec=SH3CFc13noe, no=616, id=591, vol=1.270000e+09
assign (segid "    " and resid   19 and name  HB1) (segid "    " and resid   22 and name   HN) 2.726 0.929 0.929 weight 1.000 ! spec=SH3CFc13noe, no=617, id=592, vol=1.000000e+09
assign (segid "    " and resid   19 and name  HB2) (segid "    " and resid   22 and name   HN) 3.056 1.167 1.167 weight 1.000 ! spec=SH3CFc13noe, no=618, id=593, vol=5.040000e+08
assign (segid "    " and resid   19 and name  HB1) (segid "    " and resid   19 and name   HA) 2.157 0.581 0.581 weight 1.000 ! spec=SH3CFc13noe, no=619, id=594, vol=4.080000e+09
assign (segid "    " and resid   20 and name  HB2) (segid "    " and resid   20 and name   HA) 2.069 0.535 0.535 weight 1.000 ! spec=SH3CFc13noe, no=620, id=595, vol=5.240000e+09
assign (segid "    " and resid   46 and name   HA) (segid "    " and resid   23 and name HD22) 3.072 1.179 1.179 weight 1.000 ! spec=SH3CFc13noe, no=623, id=598, vol=4.890000e+08
assign (segid "    " and resid   51 and name  HG1) (segid "    " and resid   49 and name  HG1) 2.874 1.032 1.032 weight 1.000 ! spec=SH3CFc13noe, no=624, id=599, vol=7.290000e+08
assign (segid "    " and resid   51 and name  HG2) (segid "    " and resid   49 and name  HG1) 2.675 0.895 0.895 weight 1.000 ! spec=SH3CFc13noe, no=625, id=600, vol=1.120000e+09
assign (segid "    " and resid   22 and name   HA) (segid "    " and resid   53 and name  HA1) 3.160 1.249 1.249 weight 1.000 ! spec=SH3CFc13noe, no=626, id=601, vol=4.120000e+08
assign (segid "    " and resid   22 and name   HA) (segid "    " and resid   54 and name   HN) 2.409 0.726 0.726 weight 1.000 ! spec=SH3CFc13noe, no=628, id=603, vol=2.100000e+09
assign (segid "    " and resid   22 and name   HA) (segid "    " and resid   54 and name   HB) 3.736 1.745 1.745 weight 1.000 ! spec=SH3CFc13noe, no=630, id=605, vol=1.510000e+08
assign (segid "    " and resid   31 and name HG12) (segid "    " and resid   44 and name  HA1) 2.974 1.106 1.106 weight 1.000 ! spec=SH3CFc13noe, no=631, id=606, vol=5.930000e+08
assign (segid "    " and resid    9 and name  HB1) (segid "    " and resid   60 and name HG12) 3.419 1.461 1.461 weight 1.000 ! spec=SH3CFc13noe, no=634, id=609, vol=2.570000e+08
assign (segid "    " and resid   31 and name   HB) (segid "    " and resid   31 and name HG22) 2.532 0.801 0.801 weight 1.000 ! spec=SH3CFc13noe, no=635, id=610, vol=1.560000e+09
assign (segid "    " and resid   10 and name   HA) (segid "    " and resid   31 and name HG22) 5.534 3.828 3.828 weight 1.000 ! spec=SH3CFc13noe, no=636, id=611, vol=1.430000e+07
assign (segid "    " and resid   10 and name   HA) (segid "    " and resid   60 and name HG12) 3.531 1.558 1.558 weight 1.000 ! spec=SH3CFc13noe, no=637, id=612, vol=2.120000e+08
assign (segid "    " and resid   33 and name HG22) (segid "    " and resid   42 and name  HB2) 1.935 0.468 0.468 weight 1.000 ! spec=SH3CFc13noe, no=638, id=613, vol=7.830000e+09
assign (segid "    " and resid   46 and name   HA) (segid "    " and resid   31 and name HG22) 2.153 0.580 0.580 weight 1.000 ! spec=SH3CFc13noe, no=639, id=614, vol=4.120000e+09
assign (segid "    " and resid   31 and name HG12) (segid "    " and resid   46 and name   HA) 3.659 1.674 1.674 weight 1.000 ! spec=SH3CFc13noe, no=640, id=615, vol=1.710000e+08
assign (segid "    " and resid   31 and name HG22) (segid "    " and resid   31 and name   HA) 2.214 0.613 0.613 weight 1.000 ! spec=SH3CFc13noe, no=641, id=616, vol=3.490000e+09
assign (segid "    " and resid   55 and name  HB1) (segid "    " and resid   25 and name HD12) 3.779 1.785 1.785 weight 1.000 ! spec=SH3CFc13noe, no=643, id=618, vol=1.410000e+08
assign (segid "    " and resid   55 and name  HB2) (segid "    " and resid   25 and name HD12) 3.244 1.316 1.316 weight 1.000 ! spec=SH3CFc13noe, no=644, id=619, vol=3.520000e+08
assign (segid "    " and resid   55 and name  HB2) (segid "    " and resid   56 and name  HD1) 2.683 0.900 0.900 weight 1.000 ! spec=SH3CFc13noe, no=645, id=620, vol=1.100000e+09
assign (segid "    " and resid   23 and name  HB1) (segid "    " and resid   23 and name HD12) 3.017 1.138 1.138 weight 1.000 ! spec=SH3CFc13noe, no=648, id=623, vol=5.440000e+08
assign (segid "    " and resid   23 and name  HB1) (segid "    " and resid   23 and name   HG) 2.896 1.048 1.048 weight 1.000 ! spec=SH3CFc13noe, no=649, id=624, vol=6.960000e+08
assign (segid "    " and resid   23 and name  HB2) (segid "    " and resid   23 and name   HG) 2.841 1.009 1.009 weight 1.000 ! spec=SH3CFc13noe, no=650, id=625, vol=7.810000e+08
assign (segid "    " and resid   23 and name  HB2) (segid "    " and resid   23 and name HD12) 3.041 1.156 1.156 weight 1.000 ! spec=SH3CFc13noe, no=651, id=626, vol=5.190000e+08
assign (segid "    " and resid   23 and name  HB1) (segid "    " and resid   23 and name  HB2) 2.346 0.688 0.688 weight 1.000 ! spec=SH3CFc13noe, no=652, id=627, vol=2.460000e+09
assign (segid "    " and resid   23 and name  HB2) (segid "    " and resid   55 and name  HB2) 3.087 1.192 1.192 weight 1.000 ! spec=SH3CFc13noe, no=653, id=628, vol=4.740000e+08
assign (segid "    " and resid   23 and name  HB1) (segid "    " and resid   55 and name  HB2) 2.596 0.843 0.843 weight 1.000 ! spec=SH3CFc13noe, no=654, id=629, vol=1.340000e+09
assign (segid "    " and resid   23 and name  HB2) (segid "    " and resid   55 and name  HB1) 3.031 1.148 1.148 weight 1.000 ! spec=SH3CFc13noe, no=655, id=630, vol=5.300000e+08
assign (segid "    " and resid   23 and name  HB1) (segid "    " and resid   55 and name  HB1) 2.368 0.701 0.701 weight 1.000 ! spec=SH3CFc13noe, no=656, id=631, vol=2.330000e+09
assign (segid "    " and resid   23 and name   HA) (segid "    " and resid   23 and name  HB1) 2.979 1.110 1.110 weight 1.000 ! spec=SH3CFc13noe, no=657, id=632, vol=5.870000e+08
assign (segid "    " and resid   23 and name   HA) (segid "    " and resid   23 and name  HB2) 3.016 1.137 1.137 weight 1.000 ! spec=SH3CFc13noe, no=658, id=633, vol=5.460000e+08
assign (segid "    " and resid   23 and name  HB1) (segid "    " and resid   55 and name  HD1) 3.042 1.157 1.157 weight 1.000 ! spec=SH3CFc13noe, no=659, id=634, vol=5.180000e+08
assign (segid "    " and resid   23 and name  HB2) (segid "    " and resid   55 and name  HD1) 2.834 1.004 1.004 weight 1.000 ! spec=SH3CFc13noe, no=660, id=635, vol=7.920000e+08
assign (segid "    " and resid   23 and name   HA) (segid "    " and resid   23 and name   HG) 2.740 0.938 0.938 weight 1.000 ! spec=SH3CFc13noe, no=661, id=636, vol=9.710000e+08
assign (segid "    " and resid   23 and name   HG) (segid "    " and resid   46 and name   HA) 3.176 1.261 1.261 weight 1.000 ! spec=SH3CFc13noe, no=664, id=639, vol=4.000000e+08
assign (segid "    " and resid   23 and name   HG) (segid "    " and resid   45 and name   HA) 3.951 1.951 1.951 weight 1.000 ! spec=SH3CFc13noe, no=665, id=640, vol=1.080000e+08
assign (segid "    " and resid   23 and name   HG) (segid "    " and resid   45 and name  HG1) 4.758 2.830 2.830 weight 1.000 ! spec=SH3CFc13noe, no=666, id=641, vol=3.540000e+07
assign (segid "    " and resid   23 and name   HG) (segid "    " and resid   24 and name   HN) 3.871 1.873 1.873 weight 1.000 ! spec=SH3CFc13noe, no=668, id=642, vol=1.220000e+08
assign (segid "    " and resid   23 and name   HG) (segid "    " and resid   23 and name HD12) 2.563 0.821 0.821 weight 1.000 ! spec=SH3CFc13noe, no=672, id=645, vol=1.450000e+09
assign (segid "    " and resid   23 and name   HG) (segid "    " and resid   51 and name  HB1) 3.562 1.586 1.586 weight 1.000 ! spec=SH3CFc13noe, no=673, id=646, vol=2.010000e+08
assign (segid "    " and resid   23 and name   HG) (segid "    " and resid   55 and name  HB1) 3.704 1.715 1.715 weight 1.000 ! spec=SH3CFc13noe, no=674, id=647, vol=1.590000e+08
assign (segid "    " and resid   51 and name  HB2) (segid "    " and resid   23 and name HD22) 2.997 1.123 1.123 weight 1.000 ! spec=SH3CFc13noe, no=676, id=649, vol=5.670000e+08
assign (segid "    " and resid   51 and name  HG1) (segid "    " and resid   23 and name HD22) 1.730 0.374 0.374 weight 1.000 ! spec=SH3CFc13noe, no=678, id=651, vol=1.530000e+10
assign (segid "    " and resid   23 and name   HA) (segid "    " and resid   23 and name HD12) 2.938 1.079 1.079 weight 1.000 ! spec=SH3CFc13noe, no=679, id=652, vol=6.390000e+08
assign (segid "    " and resid   25 and name   HA) (segid "    " and resid   25 and name   HG) 3.179 1.263 1.263 weight 1.000 ! spec=SH3CFc13noe, no=684, id=657, vol=3.980000e+08
assign (segid "    " and resid   25 and name  HB2) (segid "    " and resid   15 and name  HB2) 2.839 1.008 1.008 weight 1.000 ! spec=SH3CFc13noe, no=688, id=661, vol=7.840000e+08
assign (segid "    " and resid   25 and name  HB2) (segid "    " and resid   15 and name  HB1) 3.180 1.264 1.264 weight 1.000 ! spec=SH3CFc13noe, no=689, id=662, vol=3.970000e+08
assign (segid "    " and resid   25 and name  HB1) (segid "    " and resid   15 and name  HB2) 3.389 1.436 1.436 weight 1.000 ! spec=SH3CFc13noe, no=690, id=663, vol=2.710000e+08
assign (segid "    " and resid   25 and name  HB1) (segid "    " and resid   15 and name  HB1) 3.172 1.258 1.258 weight 1.000 ! spec=SH3CFc13noe, no=691, id=664, vol=4.030000e+08
assign (segid "    " and resid   25 and name   HG) (segid "    " and resid   15 and name  HB1) 3.278 1.343 1.343 weight 1.000 ! spec=SH3CFc13noe, no=694, id=667, vol=3.310000e+08
assign (segid "    " and resid   15 and name  HB2) (segid "    " and resid   25 and name HD12) 3.069 1.178 1.178 weight 1.000 ! spec=SH3CFc13noe, no=695, id=668, vol=4.910000e+08
assign (segid "    " and resid   59 and name  HB2) (segid "    " and resid   25 and name HD12) 2.978 1.108 1.108 weight 1.000 ! spec=SH3CFc13noe, no=697, id=670, vol=5.890000e+08
assign (segid "    " and resid   59 and name  HB1) (segid "    " and resid   25 and name HD12) 3.205 1.284 1.284 weight 1.000 ! spec=SH3CFc13noe, no=698, id=671, vol=3.790000e+08
assign (segid "    " and resid   25 and name   HG) (segid "    " and resid   25 and name HD12) 2.387 0.712 0.712 weight 1.000 ! spec=SH3CFc13noe, no=699, id=672, vol=2.220000e+09
assign (segid "    " and resid   25 and name HD12) (segid "    " and resid   17 and name  HG2) 3.766 1.773 1.773 weight 1.000 ! spec=SH3CFc13noe, no=700, id=673, vol=1.440000e+08
assign (segid "    " and resid   25 and name  HB2) (segid "    " and resid   25 and name HD12) 2.717 0.923 0.923 weight 1.000 ! spec=SH3CFc13noe, no=702, id=674, vol=1.020000e+09
assign (segid "    " and resid   25 and name  HB1) (segid "    " and resid   25 and name HD12) 2.822 0.995 0.995 weight 1.000 ! spec=SH3CFc13noe, no=703, id=675, vol=8.130000e+08
assign (segid "    " and resid   25 and name HD12) (segid "    " and resid   15 and name  HD1) 3.030 1.147 1.147 weight 1.000 ! spec=SH3CFc13noe, no=704, id=676, vol=5.310000e+08
assign (segid "    " and resid   25 and name HD12) (segid "    " and resid   59 and name  HE1) 2.999 1.124 1.124 weight 1.000 ! spec=SH3CFc13noe, no=705, id=677, vol=5.640000e+08
assign (segid "    " and resid   25 and name   HA) (segid "    " and resid   25 and name HD22) 2.548 0.812 0.812 weight 1.000 ! spec=SH3CFc13noe, no=706, id=678, vol=1.500000e+09
assign (segid "    " and resid   25 and name HD22) (segid "    " and resid   55 and name  HB1) 3.652 1.667 1.667 weight 1.000 ! spec=SH3CFc13noe, no=708, id=680, vol=1.730000e+08
assign (segid "    " and resid   25 and name   HG) (segid "    " and resid   25 and name HD22) 2.325 0.676 0.676 weight 1.000 ! spec=SH3CFc13noe, no=710, id=682, vol=2.600000e+09
assign (segid "    " and resid   25 and name HD22) (segid "    " and resid   15 and name  HB1) 3.704 1.715 1.715 weight 1.000 ! spec=SH3CFc13noe, no=712, id=684, vol=1.590000e+08
assign (segid "    " and resid   26 and name  HB2) (segid "    " and resid   26 and name  HD2) 1.842 0.424 0.424 weight 1.000 ! spec=SH3CFc13noe, no=713, id=685, vol=1.050000e+10
assign (segid "    " and resid   26 and name  HG2) (segid "    " and resid   26 and name  HD2) 3.116 1.213 1.213 weight 1.000 ! spec=SH3CFc13noe, no=714, id=686, vol=4.490000e+08
assign (segid "    " and resid   26 and name  HG1) (segid "    " and resid   26 and name  HD2) 2.496 0.778 0.778 weight 1.000 ! spec=SH3CFc13noe, no=715, id=687, vol=1.700000e+09
assign (segid "    " and resid   26 and name  HG2) (segid "    " and resid   26 and name  HD1) 2.613 0.853 0.853 weight 1.000 ! spec=SH3CFc13noe, no=716, id=688, vol=1.290000e+09
assign (segid "    " and resid   26 and name  HG1) (segid "    " and resid   26 and name  HD1) 3.221 1.296 1.296 weight 1.000 ! spec=SH3CFc13noe, no=717, id=689, vol=3.680000e+08
assign (segid "    " and resid   11 and name  HB2) (segid "    " and resid   29 and name  HB1) 2.581 0.832 0.832 weight 1.000 ! spec=SH3CFc13noe, no=720, id=692, vol=1.390000e+09
assign (segid "    " and resid   30 and name   HB) (segid "    " and resid   29 and name   HA) 3.215 1.292 1.292 weight 1.000 ! spec=SH3CFc13noe, no=721, id=693, vol=3.720000e+08
assign (segid "    " and resid   30 and name   HB) (segid "    " and resid   47 and name  HD2) 3.553 1.578 1.578 weight 1.000 ! spec=SH3CFc13noe, no=722, id=694, vol=2.040000e+08
assign (segid "    " and resid   30 and name HD12) (segid "    " and resid   10 and name  HG2) 2.921 1.067 1.067 weight 1.000 ! spec=SH3CFc13noe, no=726, id=698, vol=6.610000e+08
assign (segid "    " and resid   30 and name HD12) (segid "    " and resid   30 and name   HA) 2.890 1.044 1.044 weight 1.000 ! spec=SH3CFc13noe, no=727, id=699, vol=7.050000e+08
assign (segid "    " and resid   30 and name HD12) (segid "    " and resid   29 and name   HA) 4.087 2.088 2.088 weight 1.000 ! spec=SH3CFc13noe, no=729, id=701, vol=8.810000e+07
assign (segid "    " and resid   30 and name HD12) (segid "    " and resid   10 and name HE22) 3.466 1.501 1.501 weight 1.000 ! spec=SH3CFc13noe, no=730, id=702, vol=2.370000e+08
assign (segid "    " and resid   30 and name HD12) (segid "    " and resid   10 and name HE21) 3.602 1.622 1.622 weight 1.000 ! spec=SH3CFc13noe, no=731, id=703, vol=1.880000e+08
assign (segid "    " and resid   30 and name HD12) (segid "    " and resid   31 and name   HN) 3.677 1.690 1.690 weight 1.000 ! spec=SH3CFc13noe, no=732, id=704, vol=1.660000e+08
assign (segid "    " and resid   30 and name HD12) (segid "    " and resid   11 and name   HN) 3.512 1.541 1.541 weight 1.000 ! spec=SH3CFc13noe, no=733, id=705, vol=2.190000e+08
assign (segid "    " and resid   30 and name HG11) (segid "    " and resid   30 and name HG12) 2.263 0.640 0.640 weight 1.000 ! spec=SH3CFc13noe, no=734, id=706, vol=3.060000e+09
assign (segid "    " and resid   30 and name HD12) (segid "    " and resid   30 and name HG12) 2.306 0.665 0.665 weight 1.000 ! spec=SH3CFc13noe, no=736, id=708, vol=2.730000e+09
assign (segid "    " and resid   30 and name HD12) (segid "    " and resid   30 and name HG11) 2.009 0.504 0.504 weight 1.000 ! spec=SH3CFc13noe, no=737, id=709, vol=6.250000e+09
assign (segid "    " and resid   30 and name   HB) (segid "    " and resid   30 and name HG22) 2.305 0.664 0.664 weight 1.000 ! spec=SH3CFc13noe, no=740, id=712, vol=2.740000e+09
assign (segid "    " and resid   30 and name HG22) (segid "    " and resid   30 and name HG11) 2.809 0.987 0.987 weight 1.000 ! spec=SH3CFc13noe, no=741, id=713, vol=8.350000e+08
assign (segid "    " and resid   30 and name HG22) (segid "    " and resid   47 and name  HD1) 3.070 1.178 1.178 weight 1.000 ! spec=SH3CFc13noe, no=742, id=714, vol=4.900000e+08
assign (segid "    " and resid    8 and name  HB2) (segid "    " and resid   30 and name HG22) 3.215 1.292 1.292 weight 1.000 ! spec=SH3CFc13noe, no=744, id=716, vol=3.720000e+08
assign (segid "    " and resid   30 and name HG22) (segid "    " and resid    8 and name  HB1) 3.522 1.551 1.551 weight 1.000 ! spec=SH3CFc13noe, no=745, id=717, vol=2.150000e+08
assign (segid "    " and resid   30 and name HG22) (segid "    " and resid   10 and name   HA) 3.871 1.873 1.873 weight 1.000 ! spec=SH3CFc13noe, no=750, id=722, vol=1.220000e+08
assign (segid "    " and resid   30 and name HG22) (segid "    " and resid    8 and name   HA) 3.652 1.667 1.667 weight 1.000 ! spec=SH3CFc13noe, no=751, id=723, vol=1.730000e+08
assign (segid "    " and resid   47 and name   HA) (segid "    " and resid   31 and name   HA) 3.568 1.591 1.591 weight 1.000 ! spec=SH3CFc13noe, no=752, id=724, vol=1.990000e+08
assign (segid "    " and resid   48 and name   HA) (segid "    " and resid   48 and name  HG2) 2.380 0.708 0.708 weight 1.000 ! spec=SH3CFc13noe, no=753, id=725, vol=2.260000e+09
assign (segid "    " and resid   30 and name HG22) (segid "    " and resid   47 and name   HA) 3.939 1.939 1.939 weight 1.000 ! spec=SH3CFc13noe, no=754, id=726, vol=1.100000e+08
assign (segid "    " and resid   31 and name   HB) (segid "    " and resid    9 and name  HB2) 4.306 2.318 2.318 weight 1.000 ! spec=SH3CFc13noe, no=755, id=727, vol=6.440000e+07
assign (segid "    " and resid   31 and name   HB) (segid "    " and resid   30 and name   HA) 3.353 1.405 1.405 weight 1.000 ! spec=SH3CFc13noe, no=757, id=729, vol=2.890000e+08
assign (segid "    " and resid   31 and name   HB) (segid "    " and resid    9 and name  HD1) 5.817 4.229 4.229 weight 1.000 ! spec=SH3CFc13noe, no=759, id=730, vol=1.060000e+07
assign (segid "    " and resid   31 and name HG22) (segid "    " and resid   45 and name   HN) 3.170 1.256 1.256 weight 1.000 ! spec=SH3CFc13noe, no=760, id=731, vol=4.050000e+08
assign (segid "    " and resid   32 and name   HA) (segid "    " and resid   33 and name   HB) 3.381 1.429 1.429 weight 1.000 ! spec=SH3CFc13noe, no=763, id=733, vol=2.750000e+08
assign (segid "    " and resid   32 and name   HA) (segid "    " and resid   33 and name HG12) 3.330 1.386 1.386 weight 1.000 ! spec=SH3CFc13noe, no=765, id=735, vol=3.010000e+08
assign (segid "    " and resid   32 and name  HB2) (segid "    " and resid   45 and name HG21) 3.531 1.558 1.558 weight 1.000 ! spec=SH3CFc13noe, no=767, id=737, vol=2.120000e+08
    or (segid "    " and resid   32 and name  HB2) (segid "    " and resid   45 and name HG22)
    or (segid "    " and resid   32 and name  HB2) (segid "    " and resid   45 and name HG23)
assign (segid "    " and resid   45 and name   HB) (segid "    " and resid   46 and name   HN) 2.883 1.039 1.039 weight 1.000 ! spec=SH3CFc13noe, no=768, id=738, vol=7.150000e+08
assign (segid "    " and resid   33 and name   HA) (segid "    " and resid   44 and name  HA1) 1.762 0.388 0.388 weight 1.000 ! spec=SH3CFc13noe, no=769, id=739, vol=1.370000e+10
assign (segid "    " and resid   33 and name   HA) (segid "    " and resid   33 and name   HB) 2.123 0.563 0.563 weight 1.000 ! spec=SH3CFc13noe, no=770, id=740, vol=4.490000e+09
assign (segid "    " and resid   33 and name HG12) (segid "    " and resid   33 and name   HA) 2.909 1.058 1.058 weight 1.000 ! spec=SH3CFc13noe, no=771, id=741, vol=6.780000e+08
assign (segid "    " and resid   33 and name HG22) (segid "    " and resid   33 and name   HA) 2.002 0.501 0.501 weight 1.000 ! spec=SH3CFc13noe, no=772, id=742, vol=6.370000e+09
assign (segid "    " and resid   33 and name   HB) (segid "    " and resid    9 and name  HD1) 2.945 1.084 1.084 weight 1.000 ! spec=SH3CFc13noe, no=773, id=743, vol=6.300000e+08
assign (segid "    " and resid   33 and name   HB) (segid "    " and resid    9 and name  HE1) 2.856 1.020 1.020 weight 1.000 ! spec=SH3CFc13noe, no=774, id=744, vol=7.560000e+08
assign (segid "    " and resid   33 and name   HB) (segid "    " and resid    8 and name   HA) 3.605 1.625 1.625 weight 1.000 ! spec=SH3CFc13noe, no=775, id=745, vol=1.870000e+08
assign (segid "    " and resid   33 and name   HB) (segid "    " and resid    7 and name  HB1) 3.238 1.311 1.311 weight 1.000 ! spec=SH3CFc13noe, no=777, id=747, vol=3.560000e+08
assign (segid "    " and resid   33 and name HG12) (segid "    " and resid    9 and name  HE1) 3.391 1.437 1.437 weight 1.000 ! spec=SH3CFc13noe, no=780, id=750, vol=2.700000e+08
assign (segid "    " and resid   33 and name HG12) (segid "    " and resid    9 and name  HD1) 2.613 0.853 0.853 weight 1.000 ! spec=SH3CFc13noe, no=781, id=751, vol=1.290000e+09
assign (segid "    " and resid   33 and name HG12) (segid "    " and resid    8 and name   HA) 3.263 1.331 1.331 weight 1.000 ! spec=SH3CFc13noe, no=782, id=752, vol=3.400000e+08
assign (segid "    " and resid   33 and name HG12) (segid "    " and resid    7 and name  HB1) 4.408 2.428 2.428 weight 1.000 ! spec=SH3CFc13noe, no=783, id=753, vol=5.600000e+07
assign (segid "    " and resid   33 and name HG12) (segid "    " and resid   42 and name  HB2) 3.876 1.878 1.878 weight 1.000 ! spec=SH3CFc13noe, no=785, id=754, vol=1.210000e+08
assign (segid "    " and resid   33 and name   HB) (segid "    " and resid   33 and name HG12) 2.540 0.806 0.806 weight 1.000 ! spec=SH3CFc13noe, no=786, id=755, vol=1.530000e+09
assign (segid "    " and resid   33 and name HG12) (segid "    " and resid    9 and name  HB2) 14.724 14.724 27.099 weight 1.000 ! spec=SH3CFc13noe, no=787, id=756, vol=4.030000e+04
assign (segid "    " and resid   34 and name  HB2) (segid "    " and resid   33 and name   HA) 3.147 1.238 1.238 weight 1.000 ! spec=SH3CFc13noe, no=793, id=761, vol=4.230000e+08
assign (segid "    " and resid   34 and name  HG2) (segid "    " and resid   44 and name  HA1) 2.948 1.087 1.087 weight 1.000 ! spec=SH3CFc13noe, no=794, id=762, vol=6.250000e+08
assign (segid "    " and resid   34 and name  HG2) (segid "    " and resid   35 and name   HN) 3.565 1.589 1.589 weight 1.000 ! spec=SH3CFc13noe, no=795, id=763, vol=2.000000e+08
assign (segid "    " and resid   35 and name  HB2) (segid "    " and resid   36 and name   HN) 2.883 1.039 1.039 weight 1.000 ! spec=SH3CFc13noe, no=797, id=764, vol=7.150000e+08
assign (segid "    " and resid   36 and name  HB2) (segid "    " and resid   36 and name  HE2) 3.353 1.405 1.405 weight 1.000 ! spec=SH3CFc13noe, no=798, id=765, vol=2.890000e+08
assign (segid "    " and resid   36 and name  HB2) (segid "    " and resid   42 and name  HD1) 3.446 1.485 1.485 weight 1.000 ! spec=SH3CFc13noe, no=799, id=766, vol=2.450000e+08
assign (segid "    " and resid   36 and name  HB2) (segid "    " and resid   42 and name  HE1) 3.060 1.171 1.171 weight 1.000 ! spec=SH3CFc13noe, no=800, id=767, vol=5.000000e+08
assign (segid "    " and resid   36 and name  HD2) (segid "    " and resid   36 and name   HA) 3.114 1.212 1.212 weight 1.000 ! spec=SH3CFc13noe, no=801, id=768, vol=4.500000e+08
assign (segid "    " and resid   36 and name  HD2) (segid "    " and resid   42 and name  HE1) 3.243 1.315 1.315 weight 1.000 ! spec=SH3CFc13noe, no=803, id=770, vol=3.530000e+08
assign (segid "    " and resid   36 and name  HD2) (segid "    " and resid   42 and name  HD1) 3.615 1.633 1.633 weight 1.000 ! spec=SH3CFc13noe, no=804, id=771, vol=1.840000e+08
assign (segid "    " and resid   36 and name  HG1) (segid "    " and resid   33 and name HG22) 3.110 1.209 1.209 weight 1.000 ! spec=SH3CFc13noe, no=805, id=772, vol=4.540000e+08
assign (segid "    " and resid   36 and name  HG1) (segid "    " and resid   36 and name  HE2) 2.949 1.087 1.087 weight 1.000 ! spec=SH3CFc13noe, no=806, id=773, vol=6.240000e+08
assign (segid "    " and resid   36 and name  HG1) (segid "    " and resid   36 and name   HA) 3.144 1.236 1.236 weight 1.000 ! spec=SH3CFc13noe, no=807, id=774, vol=4.250000e+08
assign (segid "    " and resid   37 and name  HB2) (segid "    " and resid   40 and name   HN) 2.249 0.632 0.632 weight 1.000 ! spec=SH3CFc13noe, no=809, id=776, vol=3.170000e+09
assign (segid "    " and resid   41 and name   HA) (segid "    " and resid   56 and name  HB1) 3.491 1.523 1.523 weight 1.000 ! spec=SH3CFc13noe, no=810, id=777, vol=2.270000e+08
assign (segid "    " and resid   42 and name  HB1) (segid "    " and resid   33 and name HG12) 4.875 2.970 2.970 weight 1.000 ! spec=SH3CFc13noe, no=812, id=779, vol=3.060000e+07
assign (segid "    " and resid   43 and name   HA) (segid "    " and resid   54 and name   HB) 2.745 0.942 0.942 weight 1.000 ! spec=SH3CFc13noe, no=814, id=781, vol=9.600000e+08
assign (segid "    " and resid   43 and name   HB) (segid "    " and resid   35 and name   HN) 2.671 0.892 0.892 weight 1.000 ! spec=SH3CFc13noe, no=815, id=782, vol=1.130000e+09
assign (segid "    " and resid   43 and name HG22) (segid "    " and resid   55 and name   HN) 4.337 2.351 2.351 weight 1.000 ! spec=SH3CFc13noe, no=817, id=784, vol=6.170000e+07
assign (segid "    " and resid   44 and name  HA1) (segid "    " and resid   32 and name  HB2) 3.231 1.305 1.305 weight 1.000 ! spec=SH3CFc13noe, no=819, id=786, vol=3.610000e+08
assign (segid "    " and resid   44 and name  HA1) (segid "    " and resid   34 and name  HB2) 3.732 1.741 1.741 weight 1.000 ! spec=SH3CFc13noe, no=820, id=787, vol=1.520000e+08
assign (segid "    " and resid   45 and name HG21) (segid "    " and resid   52 and name  HD2) 3.249 1.320 1.320 weight 1.000 ! spec=SH3CFc13noe, no=825, id=791, vol=3.490000e+08
assign (segid "    " and resid   45 and name HG21) (segid "    " and resid   51 and name   HN) 2.491 0.775 0.775 weight 1.000 ! spec=SH3CFc13noe, no=826, id=792, vol=1.720000e+09
assign (segid "    " and resid   45 and name HG21) (segid "    " and resid   50 and name   HN) 3.509 1.539 1.539 weight 1.000 ! spec=SH3CFc13noe, no=827, id=793, vol=2.200000e+08
assign (segid "    " and resid   45 and name HG21) (segid "    " and resid   45 and name  HG1) 2.302 0.662 0.662 weight 1.000 ! spec=SH3CFc13noe, no=828, id=794, vol=2.760000e+09
assign (segid "    " and resid   45 and name HG21) (segid "    " and resid   50 and name  HD2) 3.470 1.506 1.506 weight 1.000 ! spec=SH3CFc13noe, no=829, id=795, vol=2.350000e+08
assign (segid "    " and resid   46 and name  HB2) (segid "    " and resid   46 and name   HA) 2.191 0.600 0.600 weight 1.000 ! spec=SH3CFc13noe, no=831, id=796, vol=3.710000e+09
assign (segid "    " and resid   46 and name  HB2) (segid "    " and resid   46 and name  HB1) 2.065 0.533 0.533 weight 1.000 ! spec=SH3CFc13noe, no=832, id=797, vol=5.290000e+09
assign (segid "    " and resid   46 and name  HB1) (segid "    " and resid   49 and name  HG1) 3.059 1.170 1.170 weight 1.000 ! spec=SH3CFc13noe, no=833, id=798, vol=5.010000e+08
assign (segid "    " and resid   46 and name  HB2) (segid "    " and resid   49 and name  HG1) 3.728 1.737 1.737 weight 1.000 ! spec=SH3CFc13noe, no=834, id=799, vol=1.530000e+08
assign (segid "    " and resid   46 and name  HB2) (segid "    " and resid   49 and name HG21) 2.523 0.796 0.796 weight 1.000 ! spec=SH3CFc13noe, no=836, id=801, vol=1.590000e+09
assign (segid "    " and resid   46 and name  HB2) (segid "    " and resid   23 and name HD22) 2.578 0.830 0.830 weight 1.000 ! spec=SH3CFc13noe, no=837, id=802, vol=1.400000e+09
assign (segid "    " and resid   23 and name   HG) (segid "    " and resid   46 and name  HB2) 2.516 0.791 0.791 weight 1.000 ! spec=SH3CFc13noe, no=838, id=803, vol=1.620000e+09
assign (segid "    " and resid   47 and name  HB2) (segid "    " and resid   30 and name HG22) 2.770 0.959 0.959 weight 1.000 ! spec=SH3CFc13noe, no=839, id=804, vol=9.080000e+08
assign (segid "    " and resid   48 and name   HA) (segid "    " and resid   48 and name  HD2) 3.720 1.730 1.730 weight 1.000 ! spec=SH3CFc13noe, no=841, id=806, vol=1.550000e+08
assign (segid "    " and resid   47 and name  HD1) (segid "    " and resid   47 and name   HA) 3.240 1.312 1.312 weight 1.000 ! spec=SH3CFc13noe, no=843, id=808, vol=3.550000e+08
assign (segid "    " and resid   30 and name HG22) (segid "    " and resid   47 and name  HD2) 3.321 1.379 1.379 weight 1.000 ! spec=SH3CFc13noe, no=844, id=809, vol=3.060000e+08
assign (segid "    " and resid   47 and name  HD1) (segid "    " and resid   47 and name  HD2) 1.916 0.459 0.459 weight 1.000 ! spec=SH3CFc13noe, no=846, id=811, vol=8.290000e+09
assign (segid "    " and resid   47 and name  HG2) (segid "    " and resid   47 and name  HD2) 2.557 0.817 0.817 weight 1.000 ! spec=SH3CFc13noe, no=847, id=812, vol=1.470000e+09
assign (segid "    " and resid   47 and name  HG2) (segid "    " and resid   47 and name   HA) 2.282 0.651 0.651 weight 1.000 ! spec=SH3CFc13noe, no=848, id=813, vol=2.910000e+09
assign (segid "    " and resid   50 and name  HD2) (segid "    " and resid   50 and name  HE2) 1.994 0.497 0.497 weight 1.000 ! spec=SH3CFc13noe, no=849, id=814, vol=6.540000e+09
assign (segid "    " and resid   50 and name  HD2) (segid "    " and resid   50 and name  HB2) 2.973 1.105 1.105 weight 1.000 ! spec=SH3CFc13noe, no=850, id=815, vol=5.950000e+08
assign (segid "    " and resid   48 and name  HB1) (segid "    " and resid   48 and name  HD2) 2.906 1.055 1.055 weight 1.000 ! spec=SH3CFc13noe, no=851, id=816, vol=6.820000e+08
assign (segid "    " and resid   49 and name HG21) (segid "    " and resid   48 and name  HB2) 3.049 1.162 1.162 weight 1.000 ! spec=SH3CFc13noe, no=852, id=817, vol=5.110000e+08
    or (segid "    " and resid   48 and name  HB2) (segid "    " and resid   49 and name HG22)
    or (segid "    " and resid   48 and name  HB2) (segid "    " and resid   49 and name HG23)
assign (segid "    " and resid   48 and name  HB1) (segid "    " and resid   49 and name HG21) 2.991 1.119 1.119 weight 1.000 ! spec=SH3CFc13noe, no=853, id=818, vol=5.730000e+08
    or (segid "    " and resid   48 and name  HB1) (segid "    " and resid   49 and name HG22)
    or (segid "    " and resid   48 and name  HB1) (segid "    " and resid   49 and name HG23)
assign (segid "    " and resid   48 and name  HB2) (segid "    " and resid   49 and name   HN) 2.203 0.607 0.607 weight 1.000 ! spec=SH3CFc13noe, no=854, id=819, vol=3.590000e+09
assign (segid "    " and resid   48 and name  HB1) (segid "    " and resid   49 and name   HN) 2.977 1.108 1.108 weight 1.000 ! spec=SH3CFc13noe, no=855, id=820, vol=5.900000e+08
assign (segid "    " and resid   48 and name  HD1) (segid "    " and resid   48 and name  HD2) 1.994 0.497 0.497 weight 1.000 ! spec=SH3CFc13noe, no=856, id=821, vol=6.530000e+09
assign (segid "    " and resid   48 and name  HB2) (segid "    " and resid   48 and name  HD2) 2.771 0.960 0.960 weight 1.000 ! spec=SH3CFc13noe, no=857, id=822, vol=9.060000e+08
assign (segid "    " and resid   48 and name  HG2) (segid "    " and resid   48 and name  HD2) 2.305 0.664 0.664 weight 1.000 ! spec=SH3CFc13noe, no=858, id=823, vol=2.740000e+09
assign (segid "    " and resid   48 and name  HD1) (segid "    " and resid   48 and name  HG2) 2.307 0.666 0.666 weight 1.000 ! spec=SH3CFc13noe, no=859, id=824, vol=2.720000e+09
assign (segid "    " and resid   49 and name   HB) (segid "    " and resid   46 and name  HB2) 3.927 1.927 1.927 weight 1.000 ! spec=SH3CFc13noe, no=863, id=828, vol=1.120000e+08
assign (segid "    " and resid   49 and name   HB) (segid "    " and resid   51 and name  HG2) 3.512 1.541 1.541 weight 1.000 ! spec=SH3CFc13noe, no=864, id=829, vol=2.190000e+08
assign (segid "    " and resid   46 and name  HB1) (segid "    " and resid   49 and name HG21) 1.915 0.459 0.459 weight 1.000 ! spec=SH3CFc13noe, no=868, id=831, vol=8.320000e+09
assign (segid "    " and resid   49 and name HG21) (segid "    " and resid   51 and name  HB1) 3.525 1.553 1.553 weight 1.000 ! spec=SH3CFc13noe, no=869, id=832, vol=2.140000e+08
assign (segid "    " and resid   50 and name   HA) (segid "    " and resid   45 and name HG21) 2.343 0.686 0.686 weight 1.000 ! spec=SH3CFc13noe, no=871, id=834, vol=2.480000e+09
assign (segid "    " and resid   50 and name  HG1) (segid "    " and resid   50 and name   HA) 2.893 1.046 1.046 weight 1.000 ! spec=SH3CFc13noe, no=872, id=835, vol=7.000000e+08
assign (segid "    " and resid   50 and name  HG1) (segid "    " and resid   50 and name  HB1) 2.329 0.678 0.678 weight 1.000 ! spec=SH3CFc13noe, no=874, id=837, vol=2.570000e+09
assign (segid "    " and resid   50 and name  HG2) (segid "    " and resid   50 and name  HB1) 2.385 0.711 0.711 weight 1.000 ! spec=SH3CFc13noe, no=875, id=838, vol=2.230000e+09
assign (segid "    " and resid   50 and name  HG1) (segid "    " and resid   50 and name  HE2) 2.472 0.764 0.764 weight 1.000 ! spec=SH3CFc13noe, no=877, id=840, vol=1.800000e+09
assign (segid "    " and resid   50 and name  HG2) (segid "    " and resid   50 and name  HE2) 2.734 0.934 0.934 weight 1.000 ! spec=SH3CFc13noe, no=878, id=841, vol=9.840000e+08
assign (segid "    " and resid   50 and name  HE2) (segid "    " and resid   50 and name   HA) 1.552 0.301 0.301 weight 1.000 ! spec=SH3CFc13noe, no=880, id=843, vol=2.940000e+10
assign (segid "    " and resid   50 and name  HE2) (segid "    " and resid   47 and name   HA) 2.813 0.989 0.989 weight 1.000 ! spec=SH3CFc13noe, no=881, id=844, vol=8.280000e+08
assign (segid "    " and resid   50 and name  HG2) (segid "    " and resid   50 and name  HD2) 2.185 0.597 0.597 weight 1.000 ! spec=SH3CFc13noe, no=882, id=845, vol=3.770000e+09
assign (segid "    " and resid   50 and name  HG1) (segid "    " and resid   50 and name  HD2) 2.481 0.770 0.770 weight 1.000 ! spec=SH3CFc13noe, no=883, id=846, vol=1.760000e+09
assign (segid "    " and resid   53 and name  HA1) (segid "    " and resid   43 and name HG22) 3.485 1.519 1.519 weight 1.000 ! spec=SH3CFc13noe, no=886, id=847, vol=2.290000e+08
assign (segid "    " and resid   54 and name   HA) (segid "    " and resid   55 and name   HN) 2.319 0.672 0.672 weight 1.000 ! spec=SH3CFc13noe, no=888, id=849, vol=2.640000e+09
assign (segid "    " and resid   54 and name   HA) (segid "    " and resid   44 and name   HN) 2.788 0.971 0.971 weight 1.000 ! spec=SH3CFc13noe, no=889, id=850, vol=8.750000e+08
assign (segid "    " and resid   54 and name   HB) (segid "    " and resid   55 and name   HA) 3.792 1.798 1.798 weight 1.000 ! spec=SH3CFc13noe, no=890, id=851, vol=1.380000e+08
assign (segid "    " and resid   43 and name HG22) (segid "    " and resid   54 and name   HB) 2.735 0.935 0.935 weight 1.000 ! spec=SH3CFc13noe, no=891, id=852, vol=9.820000e+08
assign (segid "    " and resid   22 and name  HG1) (segid "    " and resid   54 and name HG21) 2.064 0.533 0.533 weight 1.000 ! spec=SH3CFc13noe, no=892, id=853, vol=5.310000e+09
assign (segid "    " and resid   22 and name  HG2) (segid "    " and resid   54 and name HG21) 2.030 0.515 0.515 weight 1.000 ! spec=SH3CFc13noe, no=893, id=854, vol=5.860000e+09
assign (segid "    " and resid   56 and name  HD1) (segid "    " and resid   55 and name   HA) 2.679 0.897 0.897 weight 1.000 ! spec=SH3CFc13noe, no=894, id=855, vol=1.110000e+09
assign (segid "    " and resid   55 and name  HB2) (segid "    " and resid   23 and name   HG) 5.062 3.203 3.203 weight 1.000 ! spec=SH3CFc13noe, no=895, id=856, vol=2.440000e+07
assign (segid "    " and resid   56 and name   HA) (segid "    " and resid   56 and name  HD2) 3.593 1.613 1.613 weight 1.000 ! spec=SH3CFc13noe, no=897, id=858, vol=1.910000e+08
assign (segid "    " and resid   56 and name  HB1) (segid "    " and resid   56 and name   HA) 2.310 0.667 0.667 weight 1.000 ! spec=SH3CFc13noe, no=899, id=860, vol=2.700000e+09
assign (segid "    " and resid   56 and name   HA) (segid "    " and resid   56 and name  HG2) 2.888 1.042 1.042 weight 1.000 ! spec=SH3CFc13noe, no=900, id=861, vol=7.080000e+08
assign (segid "    " and resid   56 and name   HA) (segid "    " and resid   42 and name   HN) 2.713 0.920 0.920 weight 1.000 ! spec=SH3CFc13noe, no=901, id=862, vol=1.030000e+09
assign (segid "    " and resid   56 and name   HA) (segid "    " and resid   56 and name  HD1) 2.876 1.034 1.034 weight 1.000 ! spec=SH3CFc13noe, no=902, id=863, vol=7.260000e+08
assign (segid "    " and resid   56 and name  HB1) (segid "    " and resid   57 and name   HN) 2.892 1.045 1.045 weight 1.000 ! spec=SH3CFc13noe, no=904, id=865, vol=7.020000e+08
assign (segid "    " and resid   56 and name  HB2) (segid "    " and resid   58 and name   HN) 2.737 0.936 0.936 weight 1.000 ! spec=SH3CFc13noe, no=905, id=866, vol=9.770000e+08
assign (segid "    " and resid   56 and name  HB1) (segid "    " and resid   56 and name  HD1) 3.039 1.155 1.155 weight 1.000 ! spec=SH3CFc13noe, no=906, id=867, vol=5.210000e+08
assign (segid "    " and resid   56 and name  HG2) (segid "    " and resid   56 and name  HB1) 2.411 0.727 0.727 weight 1.000 ! spec=SH3CFc13noe, no=908, id=869, vol=2.090000e+09
assign (segid "    " and resid   56 and name  HB2) (segid "    " and resid   56 and name  HG2) 2.310 0.667 0.667 weight 1.000 ! spec=SH3CFc13noe, no=909, id=870, vol=2.700000e+09
assign (segid "    " and resid   56 and name  HG1) (segid "    " and resid   56 and name  HB1) 2.472 0.764 0.764 weight 1.000 ! spec=SH3CFc13noe, no=910, id=871, vol=1.800000e+09
assign (segid "    " and resid   56 and name  HB2) (segid "    " and resid   56 and name  HG1) 2.476 0.767 0.767 weight 1.000 ! spec=SH3CFc13noe, no=911, id=872, vol=1.780000e+09
assign (segid "    " and resid   56 and name  HB1) (segid "    " and resid   56 and name  HB2) 1.963 0.482 0.482 weight 1.000 ! spec=SH3CFc13noe, no=912, id=873, vol=7.170000e+09
assign (segid "    " and resid   56 and name  HD2) (segid "    " and resid   56 and name  HG1) 2.433 0.740 0.740 weight 1.000 ! spec=SH3CFc13noe, no=913, id=874, vol=1.980000e+09
assign (segid "    " and resid   56 and name  HG1) (segid "    " and resid   56 and name  HD1) 2.858 1.021 1.021 weight 1.000 ! spec=SH3CFc13noe, no=914, id=875, vol=7.540000e+08
assign (segid "    " and resid   56 and name  HD2) (segid "    " and resid   56 and name  HB2) 2.596 0.843 0.843 weight 1.000 ! spec=SH3CFc13noe, no=915, id=876, vol=1.340000e+09
assign (segid "    " and resid   56 and name  HD1) (segid "    " and resid   56 and name  HB2) 3.415 1.458 1.458 weight 1.000 ! spec=SH3CFc13noe, no=916, id=877, vol=2.590000e+08
assign (segid "    " and resid   56 and name  HD2) (segid "    " and resid   55 and name  HB1) 2.969 1.102 1.102 weight 1.000 ! spec=SH3CFc13noe, no=918, id=879, vol=6.000000e+08
assign (segid "    " and resid   56 and name  HD2) (segid "    " and resid   55 and name  HB2) 2.790 0.973 0.973 weight 1.000 ! spec=SH3CFc13noe, no=919, id=880, vol=8.710000e+08
assign (segid "    " and resid   56 and name  HD1) (segid "    " and resid   55 and name  HD1) 3.882 1.884 1.884 weight 1.000 ! spec=SH3CFc13noe, no=921, id=882, vol=1.200000e+08
assign (segid "    " and resid   56 and name  HG1) (segid "    " and resid   56 and name  HG2) 2.003 0.501 0.501 weight 1.000 ! spec=SH3CFc13noe, no=924, id=885, vol=6.360000e+09
assign (segid "    " and resid   56 and name  HD2) (segid "    " and resid   56 and name  HG2) 2.479 0.768 0.768 weight 1.000 ! spec=SH3CFc13noe, no=926, id=887, vol=1.770000e+09
assign (segid "    " and resid   56 and name   HA) (segid "    " and resid   56 and name  HG1) 2.534 0.803 0.803 weight 1.000 ! spec=SH3CFc13noe, no=927, id=888, vol=1.550000e+09
assign (segid "    " and resid   56 and name  HG1) (segid "    " and resid   55 and name   HA) 3.296 1.358 1.358 weight 1.000 ! spec=SH3CFc13noe, no=928, id=889, vol=3.200000e+08
assign (segid "    " and resid   56 and name  HG2) (segid "    " and resid   55 and name   HA) 3.175 1.260 1.260 weight 1.000 ! spec=SH3CFc13noe, no=929, id=890, vol=4.010000e+08
assign (segid "    " and resid   57 and name  HA1) (segid "    " and resid    9 and name  HE1) 3.132 1.226 1.226 weight 1.000 ! spec=SH3CFc13noe, no=931, id=892, vol=4.350000e+08
assign (segid "    " and resid   57 and name  HA1) (segid "    " and resid    9 and name  HD1) 3.130 1.224 1.224 weight 1.000 ! spec=SH3CFc13noe, no=933, id=893, vol=4.370000e+08
assign (segid "    " and resid   57 and name  HA1) (segid "    " and resid   60 and name HG22) 2.729 0.931 0.931 weight 1.000 ! spec=SH3CFc13noe, no=935, id=895, vol=9.950000e+08
assign (segid "    " and resid   56 and name   HA) (segid "    " and resid   57 and name  HA1) 3.181 1.265 1.265 weight 1.000 ! spec=SH3CFc13noe, no=936, id=896, vol=3.960000e+08
assign (segid "    " and resid   58 and name  HB1) (segid "    " and resid   58 and name  HB2) 1.802 0.406 0.406 weight 1.000 ! spec=SH3CFc13noe, no=938, id=898, vol=1.200000e+10
assign (segid "    " and resid   58 and name  HB2) (segid "    " and resid   41 and name  HE3) 2.488 0.774 0.774 weight 1.000 ! spec=SH3CFc13noe, no=939, id=899, vol=1.730000e+09
assign (segid "    " and resid   59 and name  HB2) (segid "    " and resid   59 and name  HE1) 3.792 1.798 1.798 weight 1.000 ! spec=SH3CFc13noe, no=940, id=900, vol=1.380000e+08
assign (segid "    " and resid   59 and name  HB2) (segid "    " and resid   59 and name  HD1) 2.728 0.930 0.930 weight 1.000 ! spec=SH3CFc13noe, no=941, id=901, vol=9.970000e+08
assign (segid "    " and resid   59 and name  HB1) (segid "    " and resid   59 and name  HD1) 2.452 0.751 0.751 weight 1.000 ! spec=SH3CFc13noe, no=942, id=902, vol=1.890000e+09
assign (segid "    " and resid   59 and name  HB1) (segid "    " and resid   59 and name  HE1) 3.478 1.512 1.512 weight 1.000 ! spec=SH3CFc13noe, no=943, id=903, vol=2.320000e+08
assign (segid "    " and resid   60 and name HG12) (segid "    " and resid   59 and name  HB1) 3.522 1.551 1.551 weight 1.000 ! spec=SH3CFc13noe, no=944, id=904, vol=2.150000e+08
assign (segid "    " and resid   11 and name  HB2) (segid "    " and resid   60 and name   HA) 3.307 1.367 1.367 weight 1.000 ! spec=SH3CFc13noe, no=945, id=905, vol=3.140000e+08
    or (segid "    " and resid   60 and name   HA) (segid "    " and resid   11 and name  HB1)
    or (segid "    " and resid   60 and name   HA) (segid "    " and resid   11 and name  HB3)
assign (segid "    " and resid   12 and name   HG) (segid "    " and resid   60 and name   HA) 2.738 0.937 0.937 weight 1.000 ! spec=SH3CFc13noe, no=946, id=906, vol=9.740000e+08
assign (segid "    " and resid   60 and name   HA) (segid "    " and resid    9 and name  HB1) 3.027 1.145 1.145 weight 1.000 ! spec=SH3CFc13noe, no=947, id=907, vol=5.340000e+08
assign (segid "    " and resid   60 and name   HA) (segid "    " and resid    9 and name  HD1) 3.876 1.878 1.878 weight 1.000 ! spec=SH3CFc13noe, no=949, id=909, vol=1.210000e+08
assign (segid "    " and resid   60 and name   HA) (segid "    " and resid   61 and name   HN) 2.204 0.607 0.607 weight 1.000 ! spec=SH3CFc13noe, no=950, id=910, vol=3.580000e+09
assign (segid "    " and resid   60 and name   HA) (segid "    " and resid   12 and name   HN) 2.355 0.693 0.693 weight 1.000 ! spec=SH3CFc13noe, no=951, id=911, vol=2.410000e+09
assign (segid "    " and resid   60 and name   HA) (segid "    " and resid   10 and name   HN) 3.861 1.863 1.863 weight 1.000 ! spec=SH3CFc13noe, no=952, id=912, vol=1.240000e+08
assign (segid "    " and resid    9 and name  HB1) (segid "    " and resid   60 and name   HB) 1.557 0.303 0.303 weight 1.000 ! spec=SH3CFc13noe, no=953, id=913, vol=2.880000e+10
assign (segid "    " and resid   60 and name   HB) (segid "    " and resid   10 and name   HN) 2.679 0.897 0.897 weight 1.000 ! spec=SH3CFc13noe, no=954, id=914, vol=1.110000e+09
assign (segid "    " and resid    9 and name  HB2) (segid "    " and resid   60 and name   HB) 1.804 0.407 0.407 weight 1.000 ! spec=SH3CFc13noe, no=955, id=915, vol=1.190000e+10
assign (segid "    " and resid   60 and name HG22) (segid "    " and resid    9 and name  HD1) 2.133 0.569 0.569 weight 1.000 ! spec=SH3CFc13noe, no=956, id=916, vol=4.360000e+09
assign (segid "    " and resid   60 and name HG22) (segid "    " and resid   61 and name   HN) 2.819 0.993 0.993 weight 1.000 ! spec=SH3CFc13noe, no=958, id=918, vol=8.180000e+08
assign (segid "    " and resid   60 and name HG22) (segid "    " and resid   10 and name   HN) 3.685 1.697 1.697 weight 1.000 ! spec=SH3CFc13noe, no=960, id=920, vol=1.640000e+08
assign (segid "    " and resid   61 and name   HA) (segid "    " and resid   61 and name  HG2) 2.908 1.057 1.057 weight 1.000 ! spec=SH3CFc13noe, no=961, id=921, vol=6.790000e+08
assign (segid "    " and resid   61 and name  HB1) (segid "    " and resid   62 and name  HD1) 3.016 1.137 1.137 weight 1.000 ! spec=SH3CFc13noe, no=962, id=922, vol=5.450000e+08
assign (segid "    " and resid   61 and name  HB2) (segid "    " and resid   62 and name  HD1) 3.002 1.126 1.126 weight 1.000 ! spec=SH3CFc13noe, no=963, id=923, vol=5.610000e+08
assign (segid "    " and resid   62 and name   HA) (segid "    " and resid   63 and name   HA) 3.176 1.261 1.261 weight 1.000 ! spec=SH3CFc13noe, no=967, id=927, vol=4.000000e+08
assign (segid "    " and resid   62 and name   HA) (segid "    " and resid    9 and name  HB2) 4.417 2.439 2.439 weight 1.000 ! spec=SH3CFc13noe, no=968, id=928, vol=5.530000e+07
assign (segid "    " and resid   62 and name  HG2) (segid "    " and resid   62 and name  HB1) 2.306 0.665 0.665 weight 1.000 ! spec=SH3CFc13noe, no=971, id=930, vol=2.730000e+09
assign (segid "    " and resid   62 and name  HG1) (segid "    " and resid   62 and name  HB1) 2.260 0.639 0.639 weight 1.000 ! spec=SH3CFc13noe, no=972, id=931, vol=3.080000e+09
assign (segid "    " and resid   62 and name  HG2) (segid "    " and resid   62 and name  HD2) 2.759 0.951 0.951 weight 1.000 ! spec=SH3CFc13noe, no=973, id=932, vol=9.310000e+08
assign (segid "    " and resid   62 and name  HG2) (segid "    " and resid   62 and name  HD1) 1.854 0.430 0.430 weight 1.000 ! spec=SH3CFc13noe, no=974, id=933, vol=1.010000e+10
assign (segid "    " and resid   62 and name  HG1) (segid "    " and resid   62 and name  HD2) 1.879 0.441 0.441 weight 1.000 ! spec=SH3CFc13noe, no=975, id=934, vol=9.330000e+09
assign (segid "    " and resid   62 and name  HG1) (segid "    " and resid   62 and name  HD1) 2.137 0.571 0.571 weight 1.000 ! spec=SH3CFc13noe, no=976, id=935, vol=4.310000e+09
assign (segid "    " and resid   63 and name  HB2) (segid "    " and resid   63 and name   HA) 2.081 0.541 0.541 weight 1.000 ! spec=SH3CFc13noe, no=977, id=936, vol=5.060000e+09
assign (segid "    " and resid    6 and name  HB2) (segid "    " and resid    5 and name   HN) 3.404 1.448 1.448 weight 1.000 ! spec=SH3CFc13noe, no=979, id=938, vol=2.640000e+08
assign (segid "    " and resid    8 and name  HB1) (segid "    " and resid   63 and name HD12) 2.623 0.860 0.860 weight 1.000 ! spec=SH3CFc13noe, no=980, id=939, vol=1.260000e+09
assign (segid "    " and resid   64 and name  HB2) (segid "    " and resid   64 and name  HD1) 2.307 0.666 0.666 weight 1.000 ! spec=SH3CFc13noe, no=983, id=942, vol=2.720000e+09
assign (segid "    " and resid   64 and name  HB1) (segid "    " and resid   64 and name  HD1) 2.909 1.058 1.058 weight 1.000 ! spec=SH3CFc13noe, no=984, id=943, vol=6.780000e+08
assign (segid "    " and resid   64 and name  HB2) (segid "    " and resid   64 and name  HE1) 3.501 1.532 1.532 weight 1.000 ! spec=SH3CFc13noe, no=985, id=944, vol=2.230000e+08
assign (segid "    " and resid   64 and name  HB1) (segid "    " and resid   64 and name  HE1) 3.976 1.976 1.976 weight 1.000 ! spec=SH3CFc13noe, no=986, id=945, vol=1.040000e+08
assign (segid "    " and resid   11 and name  HB2) (segid "    " and resid   12 and name   HA) 4.384 2.403 2.403 weight 1.000 ! spec=SH3CFc13noe, no=987, id=946, vol=5.780000e+07
assign (segid "    " and resid   10 and name  HB2) (segid "    " and resid   61 and name  HG1) 3.147 1.238 1.238 weight 1.000 ! spec=SH3CFc13noe, no=988, id=947, vol=4.230000e+08
assign (segid "    " and resid   57 and name   HN) (segid "    " and resid   58 and name   HN) 2.928 1.072 1.072 weight 1.000 ! spec=SH3CFn15noe, no=1, id=948, vol=5.520000e+08
assign (segid "    " and resid   11 and name   HN) (segid "    " and resid   12 and name   HN) 3.350 1.403 1.403 weight 1.000 ! spec=SH3CFn15noe, no=6, id=953, vol=2.460000e+08
assign (segid "    " and resid   11 and name   HN) (segid "    " and resid   30 and name   HN) 3.381 1.429 1.429 weight 1.000 ! spec=SH3CFn15noe, no=7, id=954, vol=2.330000e+08
assign (segid "    " and resid   11 and name   HN) (segid "    " and resid   29 and name   HN) 3.056 1.168 1.168 weight 1.000 ! spec=SH3CFn15noe, no=8, id=955, vol=4.270000e+08
assign (segid "    " and resid   11 and name   HN) (segid "    " and resid   30 and name   HA) 3.153 1.243 1.243 weight 1.000 ! spec=SH3CFn15noe, no=9, id=956, vol=3.540000e+08
assign (segid "    " and resid   11 and name   HN) (segid "    " and resid   11 and name   HA) 3.179 1.263 1.263 weight 1.000 ! spec=SH3CFn15noe, no=10, id=957, vol=3.370000e+08
assign (segid "    " and resid   11 and name   HN) (segid "    " and resid   29 and name   HA) 3.448 1.486 1.486 weight 1.000 ! spec=SH3CFn15noe, no=11, id=958, vol=2.070000e+08
assign (segid "    " and resid   10 and name  HG2) (segid "    " and resid   11 and name   HN) 2.784 0.969 0.969 weight 1.000 ! spec=SH3CFn15noe, no=12, id=959, vol=7.480000e+08
assign (segid "    " and resid   11 and name   HN) (segid "    " and resid   10 and name  HB1) 2.958 1.094 1.094 weight 1.000 ! spec=SH3CFn15noe, no=13, id=960, vol=5.190000e+08
assign (segid "    " and resid   11 and name   HN) (segid "    " and resid   11 and name  HB2) 2.529 0.799 0.799 weight 1.000 ! spec=SH3CFn15noe, no=14, id=961, vol=1.330000e+09
assign (segid "    " and resid   33 and name   HN) (segid "    " and resid   33 and name   HB) 2.886 1.041 1.041 weight 1.000 ! spec=SH3CFn15noe, no=15, id=962, vol=6.020000e+08
assign (segid "    " and resid   33 and name   HN) (segid "    " and resid   32 and name  HB2) 3.024 1.143 1.143 weight 1.000 ! spec=SH3CFn15noe, no=16, id=963, vol=4.550000e+08
assign (segid "    " and resid   33 and name   HN) (segid "    " and resid   33 and name   HA) 2.513 0.790 0.790 weight 1.000 ! spec=SH3CFn15noe, no=17, id=964, vol=1.380000e+09
assign (segid "    " and resid   47 and name   HN) (segid "    " and resid   47 and name  HB2) 2.693 0.907 0.907 weight 1.000 ! spec=SH3CFn15noe, no=20, id=967, vol=9.120000e+08
assign (segid "    " and resid   47 and name   HN) (segid "    " and resid   31 and name   HA) 2.913 1.061 1.061 weight 1.000 ! spec=SH3CFn15noe, no=21, id=968, vol=5.690000e+08
assign (segid "    " and resid   47 and name   HN) (segid "    " and resid   46 and name   HA) 2.479 0.768 0.768 weight 1.000 ! spec=SH3CFn15noe, no=22, id=969, vol=1.500000e+09
assign (segid "    " and resid   47 and name   HN) (segid "    " and resid   47 and name   HA) 2.973 1.105 1.105 weight 1.000 ! spec=SH3CFn15noe, no=23, id=970, vol=5.040000e+08
assign (segid "    " and resid   47 and name   HN) (segid "    " and resid   46 and name  HB1) 3.217 1.294 1.294 weight 1.000 ! spec=SH3CFn15noe, no=24, id=971, vol=3.140000e+08
assign (segid "    " and resid   47 and name   HN) (segid "    " and resid   46 and name  HB2) 3.585 1.606 1.606 weight 1.000 ! spec=SH3CFn15noe, no=25, id=972, vol=1.640000e+08
assign (segid "    " and resid   15 and name   HA) (segid "    " and resid   16 and name   HN) 2.317 0.671 0.671 weight 1.000 ! spec=SH3CFn15noe, no=28, id=975, vol=2.250000e+09
assign (segid "    " and resid   16 and name   HN) (segid "    " and resid   16 and name   HA) 2.926 1.070 1.070 weight 1.000 ! spec=SH3CFn15noe, no=29, id=976, vol=5.540000e+08
assign (segid "    " and resid   16 and name   HN) (segid "    " and resid   15 and name  HB2) 3.071 1.179 1.179 weight 1.000 ! spec=SH3CFn15noe, no=30, id=977, vol=4.150000e+08
assign (segid "    " and resid   16 and name   HN) (segid "    " and resid   15 and name  HB1) 3.197 1.277 1.277 weight 1.000 ! spec=SH3CFn15noe, no=31, id=978, vol=3.260000e+08
assign (segid "    " and resid   16 and name   HN) (segid "    " and resid   16 and name   HB) 2.487 0.773 0.773 weight 1.000 ! spec=SH3CFn15noe, no=32, id=979, vol=1.470000e+09
assign (segid "    " and resid   16 and name   HN) (segid "    " and resid   16 and name HG12) 2.915 1.062 1.062 weight 1.000 ! spec=SH3CFn15noe, no=33, id=980, vol=5.670000e+08
assign (segid "    " and resid   16 and name   HN) (segid "    " and resid   16 and name HG11) 3.094 1.196 1.196 weight 1.000 ! spec=SH3CFn15noe, no=34, id=981, vol=3.970000e+08
assign (segid "    " and resid   16 and name   HN) (segid "    " and resid   16 and name HD12) 2.822 0.995 0.995 weight 1.000 ! spec=SH3CFn15noe, no=35, id=982, vol=6.890000e+08
assign (segid "    " and resid   16 and name   HN) (segid "    " and resid   15 and name  HD1) 2.994 1.121 1.121 weight 1.000 ! spec=SH3CFn15noe, no=36, id=983, vol=4.830000e+08
assign (segid "    " and resid   16 and name   HN) (segid "    " and resid   15 and name  HE1) 5.527 3.819 3.819 weight 1.000 ! spec=SH3CFn15noe, no=37, id=984, vol=1.220000e+07
assign (segid "    " and resid   16 and name   HN) (segid "    " and resid   17 and name  HD1) 3.165 1.252 1.252 weight 1.000 ! spec=SH3CFn15noe, no=38, id=985, vol=3.460000e+08
assign (segid "    " and resid    5 and name   HA) (segid "    " and resid    6 and name   HN) 2.428 0.737 0.737 weight 1.000 ! spec=SH3CFn15noe, no=39, id=986, vol=1.700000e+09
assign (segid "    " and resid    6 and name   HN) (segid "    " and resid    6 and name   HA) 2.838 1.007 1.007 weight 1.000 ! spec=SH3CFn15noe, no=40, id=987, vol=6.660000e+08
assign (segid "    " and resid    5 and name  HB2) (segid "    " and resid    6 and name   HN) 3.111 1.210 1.210 weight 1.000 ! spec=SH3CFn15noe, no=42, id=989, vol=3.840000e+08
assign (segid "    " and resid    7 and name   HN) (segid "    " and resid    7 and name  HB1) 2.968 1.101 1.101 weight 1.000 ! spec=SH3CFn15noe, no=43, id=990, vol=5.090000e+08
assign (segid "    " and resid    7 and name   HN) (segid "    " and resid    6 and name   HA) 2.679 0.897 0.897 weight 1.000 ! spec=SH3CFn15noe, no=44, id=991, vol=9.420000e+08
assign (segid "    " and resid    7 and name   HN) (segid "    " and resid    7 and name  HD2) 3.607 1.626 1.626 weight 1.000 ! spec=SH3CFn15noe, no=45, id=992, vol=1.580000e+08
assign (segid "    " and resid    6 and name   HN) (segid "    " and resid    7 and name   HN) 2.510 0.788 0.788 weight 1.000 ! spec=SH3CFn15noe, no=46, id=993, vol=1.390000e+09
assign (segid "    " and resid    7 and name   HN) (segid "    " and resid    7 and name  HB2) 3.378 1.427 1.427 weight 1.000 ! spec=SH3CFn15noe, no=47, id=994, vol=2.340000e+08
assign (segid "    " and resid    8 and name   HA) (segid "    " and resid    8 and name   HN) 2.333 0.680 0.680 weight 1.000 ! spec=SH3CFn15noe, no=48, id=995, vol=2.160000e+09
assign (segid "    " and resid    8 and name   HN) (segid "    " and resid    7 and name   HA) 2.329 0.678 0.678 weight 1.000 ! spec=SH3CFn15noe, no=49, id=996, vol=2.180000e+09
assign (segid "    " and resid    8 and name  HB1) (segid "    " and resid    8 and name   HN) 2.179 0.594 0.594 weight 1.000 ! spec=SH3CFn15noe, no=50, id=997, vol=3.250000e+09
assign (segid "    " and resid    8 and name  HB1) (segid "    " and resid    9 and name   HN) 3.100 1.201 1.201 weight 1.000 ! spec=SH3CFn15noe, no=52, id=999, vol=3.920000e+08
assign (segid "    " and resid    9 and name   HN) (segid "    " and resid    9 and name   HA) 2.685 0.901 0.901 weight 1.000 ! spec=SH3CFn15noe, no=54, id=1001, vol=9.290000e+08
assign (segid "    " and resid    9 and name   HN) (segid "    " and resid    9 and name  HB1) 3.360 1.411 1.411 weight 1.000 ! spec=SH3CFn15noe, no=55, id=1002, vol=2.420000e+08
assign (segid "    " and resid   10 and name   HN) (segid "    " and resid    9 and name  HB1) 2.856 1.020 1.020 weight 1.000 ! spec=SH3CFn15noe, no=56, id=1003, vol=6.410000e+08
assign (segid "    " and resid   62 and name   HA) (segid "    " and resid   10 and name   HN) 3.501 1.532 1.532 weight 1.000 ! spec=SH3CFn15noe, no=57, id=1004, vol=1.890000e+08
assign (segid "    " and resid   10 and name   HN) (segid "    " and resid    9 and name   HA) 2.552 0.814 0.814 weight 1.000 ! spec=SH3CFn15noe, no=58, id=1005, vol=1.260000e+09
assign (segid "    " and resid   10 and name   HN) (segid "    " and resid   10 and name   HA) 2.881 1.038 1.038 weight 1.000 ! spec=SH3CFn15noe, no=59, id=1006, vol=6.080000e+08
assign (segid "    " and resid   10 and name   HN) (segid "    " and resid    9 and name   HN) 4.150 2.153 2.153 weight 1.000 ! spec=SH3CFn15noe, no=62, id=1008, vol=6.810000e+07
assign (segid "    " and resid   10 and name   HN) (segid "    " and resid   10 and name  HG2) 3.335 1.390 1.390 weight 1.000 ! spec=SH3CFn15noe, no=64, id=1010, vol=2.530000e+08
assign (segid "    " and resid   10 and name   HN) (segid "    " and resid   10 and name  HB2) 3.159 1.248 1.248 weight 1.000 ! spec=SH3CFn15noe, no=65, id=1011, vol=3.500000e+08
assign (segid "    " and resid   12 and name   HN) (segid "    " and resid   11 and name   HA) 2.539 0.806 0.806 weight 1.000 ! spec=SH3CFn15noe, no=68, id=1014, vol=1.300000e+09
assign (segid "    " and resid   13 and name  HB1) (segid "    " and resid   13 and name   HN) 2.950 1.088 1.088 weight 1.000 ! spec=SH3CFn15noe, no=71, id=1017, vol=5.280000e+08
assign (segid "    " and resid   11 and name  HB2) (segid "    " and resid   13 and name   HN) 3.104 1.204 1.204 weight 1.000 ! spec=SH3CFn15noe, no=72, id=1018, vol=3.890000e+08
assign (segid "    " and resid   12 and name   HG) (segid "    " and resid   13 and name   HN) 3.271 1.338 1.338 weight 1.000 ! spec=SH3CFn15noe, no=73, id=1019, vol=2.840000e+08
assign (segid "    " and resid   13 and name   HN) (segid "    " and resid   13 and name   HA) 2.639 0.871 0.871 weight 1.000 ! spec=SH3CFn15noe, no=76, id=1022, vol=1.030000e+09
assign (segid "    " and resid   13 and name   HN) (segid "    " and resid   13 and name  HD1) 2.854 1.018 1.018 weight 1.000 ! spec=SH3CFn15noe, no=77, id=1023, vol=6.440000e+08
assign (segid "    " and resid   13 and name   HN) (segid "    " and resid   14 and name   HN) 3.596 1.616 1.616 weight 1.000 ! spec=SH3CFn15noe, no=78, id=1024, vol=1.610000e+08
assign (segid "    " and resid   12 and name   HN) (segid "    " and resid   13 and name   HN) 2.542 0.808 0.808 weight 1.000 ! spec=SH3CFn15noe, no=79, id=1025, vol=1.290000e+09
assign (segid "    " and resid   13 and name   HN) (segid "    " and resid   59 and name   HA) 3.159 1.248 1.248 weight 1.000 ! spec=SH3CFn15noe, no=80, id=1026, vol=3.500000e+08
assign (segid "    " and resid   13 and name   HN) (segid "    " and resid   12 and name   HA) 3.393 1.439 1.439 weight 1.000 ! spec=SH3CFn15noe, no=81, id=1027, vol=2.280000e+08
assign (segid "    " and resid   13 and name   HN) (segid "    " and resid   27 and name   HA) 4.028 2.028 2.028 weight 1.000 ! spec=SH3CFn15noe, no=82, id=1028, vol=8.150000e+07
assign (segid "    " and resid   12 and name  HB2) (segid "    " and resid   13 and name   HN) 2.890 1.044 1.044 weight 1.000 ! spec=SH3CFn15noe, no=83, id=1029, vol=5.970000e+08
assign (segid "    " and resid   13 and name   HN) (segid "    " and resid   12 and name HD22) 4.337 2.351 2.351 weight 1.000 ! spec=SH3CFn15noe, no=84, id=1030, vol=5.230000e+07
assign (segid "    " and resid   14 and name   HN) (segid "    " and resid   13 and name   HA) 2.317 0.671 0.671 weight 1.000 ! spec=SH3CFn15noe, no=85, id=1031, vol=2.250000e+09
assign (segid "    " and resid   14 and name   HN) (segid "    " and resid   14 and name   HA) 3.049 1.162 1.162 weight 1.000 ! spec=SH3CFn15noe, no=86, id=1032, vol=4.330000e+08
assign (segid "    " and resid   14 and name   HN) (segid "    " and resid   27 and name   HA) 3.607 1.626 1.626 weight 1.000 ! spec=SH3CFn15noe, no=88, id=1034, vol=1.580000e+08
assign (segid "    " and resid   13 and name  HB2) (segid "    " and resid   14 and name   HN) 2.770 0.959 0.959 weight 1.000 ! spec=SH3CFn15noe, no=89, id=1035, vol=7.700000e+08
assign (segid "    " and resid   14 and name   HN) (segid "    " and resid   13 and name  HB1) 2.618 0.857 0.857 weight 1.000 ! spec=SH3CFn15noe, no=90, id=1036, vol=1.080000e+09
assign (segid "    " and resid   14 and name   HN) (segid "    " and resid   15 and name   HN) 3.946 1.946 1.946 weight 1.000 ! spec=SH3CFn15noe, no=92, id=1037, vol=9.220000e+07
assign (segid "    " and resid   14 and name   HN) (segid "    " and resid   13 and name  HD1) 4.502 2.533 2.533 weight 1.000 ! spec=SH3CFn15noe, no=94, id=1039, vol=4.180000e+07
assign (segid "    " and resid   15 and name   HN) (segid "    " and resid   15 and name  HD1) 3.585 1.606 1.606 weight 1.000 ! spec=SH3CFn15noe, no=95, id=1040, vol=1.640000e+08
assign (segid "    " and resid   15 and name   HN) (segid "    " and resid   16 and name   HN) 3.504 1.535 1.535 weight 1.000 ! spec=SH3CFn15noe, no=96, id=1041, vol=1.880000e+08
assign (segid "    " and resid   15 and name   HN) (segid "    " and resid   25 and name   HN) 2.913 1.060 1.060 weight 1.000 ! spec=SH3CFn15noe, no=97, id=1042, vol=5.700000e+08
assign (segid "    " and resid   14 and name   HA) (segid "    " and resid   15 and name   HN) 2.482 0.770 0.770 weight 1.000 ! spec=SH3CFn15noe, no=99, id=1044, vol=1.490000e+09
assign (segid "    " and resid   15 and name   HN) (segid "    " and resid   15 and name  HB2) 3.371 1.421 1.421 weight 1.000 ! spec=SH3CFn15noe, no=101, id=1046, vol=2.370000e+08
assign (segid "    " and resid   15 and name   HN) (segid "    " and resid   15 and name  HB1) 2.968 1.101 1.101 weight 1.000 ! spec=SH3CFn15noe, no=102, id=1047, vol=5.090000e+08
assign (segid "    " and resid   15 and name   HN) (segid "    " and resid   25 and name  HB2) 2.888 1.042 1.042 weight 1.000 ! spec=SH3CFn15noe, no=103, id=1048, vol=6.000000e+08
assign (segid "    " and resid   15 and name   HN) (segid "    " and resid   25 and name   HG) 4.354 2.369 2.369 weight 1.000 ! spec=SH3CFn15noe, no=104, id=1049, vol=5.110000e+07
assign (segid "    " and resid   15 and name   HN) (segid "    " and resid   25 and name  HB1) 3.880 1.882 1.882 weight 1.000 ! spec=SH3CFn15noe, no=105, id=1050, vol=1.020000e+08
assign (segid "    " and resid   15 and name   HN) (segid "    " and resid   25 and name HD12) 3.297 1.359 1.359 weight 1.000 ! spec=SH3CFn15noe, no=106, id=1051, vol=2.710000e+08
assign (segid "    " and resid   19 and name   HN) (segid "    " and resid   18 and name  HB2) 2.580 0.832 0.832 weight 1.000 ! spec=SH3CFn15noe, no=107, id=1052, vol=1.180000e+09
assign (segid "    " and resid   19 and name   HN) (segid "    " and resid   18 and name  HG2) 3.219 1.295 1.295 weight 1.000 ! spec=SH3CFn15noe, no=108, id=1053, vol=3.130000e+08
assign (segid "    " and resid   19 and name   HN) (segid "    " and resid   19 and name  HB1) 3.100 1.201 1.201 weight 1.000 ! spec=SH3CFn15noe, no=109, id=1054, vol=3.920000e+08
assign (segid "    " and resid   19 and name   HN) (segid "    " and resid   19 and name  HB2) 3.256 1.325 1.325 weight 1.000 ! spec=SH3CFn15noe, no=110, id=1055, vol=2.920000e+08
assign (segid "    " and resid   19 and name   HN) (segid "    " and resid   17 and name   HA) 2.919 1.065 1.065 weight 1.000 ! spec=SH3CFn15noe, no=112, id=1057, vol=5.630000e+08
assign (segid "    " and resid   19 and name   HN) (segid "    " and resid   19 and name   HA) 2.695 0.908 0.908 weight 1.000 ! spec=SH3CFn15noe, no=113, id=1058, vol=9.090000e+08
assign (segid "    " and resid   19 and name   HN) (segid "    " and resid   18 and name   HN) 2.499 0.780 0.780 weight 1.000 ! spec=SH3CFn15noe, no=114, id=1059, vol=1.430000e+09
assign (segid "    " and resid   20 and name   HN) (segid "    " and resid   19 and name   HA) 2.148 0.577 0.577 weight 1.000 ! spec=SH3CFn15noe, no=115, id=1060, vol=3.540000e+09
assign (segid "    " and resid   20 and name   HN) (segid "    " and resid   20 and name   HA) 2.893 1.046 1.046 weight 1.000 ! spec=SH3CFn15noe, no=116, id=1061, vol=5.930000e+08
assign (segid "    " and resid   20 and name   HN) (segid "    " and resid   22 and name   HN) 3.222 1.298 1.298 weight 1.000 ! spec=SH3CFn15noe, no=117, id=1062, vol=3.110000e+08
assign (segid "    " and resid   20 and name   HN) (segid "    " and resid   20 and name  HB1) 4.153 2.156 2.156 weight 1.000 ! spec=SH3CFn15noe, no=118, id=1063, vol=6.780000e+07
assign (segid "    " and resid   20 and name   HN) (segid "    " and resid   19 and name  HB1) 2.317 0.671 0.671 weight 1.000 ! spec=SH3CFn15noe, no=119, id=1064, vol=2.250000e+09
assign (segid "    " and resid   21 and name   HN) (segid "    " and resid   21 and name  HB2) 2.665 0.888 0.888 weight 1.000 ! spec=SH3CFn15noe, no=120, id=1065, vol=9.720000e+08
assign (segid "    " and resid   21 and name   HN) (segid "    " and resid   21 and name  HB1) 2.591 0.839 0.839 weight 1.000 ! spec=SH3CFn15noe, no=121, id=1066, vol=1.150000e+09
assign (segid "    " and resid   21 and name   HN) (segid "    " and resid   20 and name   HA) 3.054 1.166 1.166 weight 1.000 ! spec=SH3CFn15noe, no=123, id=1068, vol=4.290000e+08
assign (segid "    " and resid   21 and name   HN) (segid "    " and resid   21 and name   HA) 2.639 0.871 0.871 weight 1.000 ! spec=SH3CFn15noe, no=124, id=1069, vol=1.030000e+09
assign (segid "    " and resid   22 and name   HN) (segid "    " and resid   21 and name   HA) 2.979 1.109 1.109 weight 1.000 ! spec=SH3CFn15noe, no=127, id=1072, vol=4.980000e+08
assign (segid "    " and resid   22 and name   HN) (segid "    " and resid   20 and name   HA) 3.017 1.138 1.138 weight 1.000 ! spec=SH3CFn15noe, no=128, id=1073, vol=4.610000e+08
assign (segid "    " and resid   22 and name   HA) (segid "    " and resid   22 and name   HN) 2.969 1.102 1.102 weight 1.000 ! spec=SH3CFn15noe, no=129, id=1074, vol=5.080000e+08
assign (segid "    " and resid   21 and name   HN) (segid "    " and resid   22 and name   HN) 2.545 0.810 0.810 weight 1.000 ! spec=SH3CFn15noe, no=130, id=1075, vol=1.280000e+09
assign (segid "    " and resid   22 and name   HN) (segid "    " and resid   21 and name  HB1) 2.510 0.788 0.788 weight 1.000 ! spec=SH3CFn15noe, no=133, id=1078, vol=1.390000e+09
assign (segid "    " and resid   22 and name   HN) (segid "    " and resid   22 and name  HB2) 2.843 1.010 1.010 weight 1.000 ! spec=SH3CFn15noe, no=134, id=1079, vol=6.590000e+08
assign (segid "    " and resid   22 and name   HN) (segid "    " and resid   22 and name  HB1) 2.595 0.842 0.842 weight 1.000 ! spec=SH3CFn15noe, no=135, id=1080, vol=1.140000e+09
assign (segid "    " and resid   22 and name   HN) (segid "    " and resid   17 and name  HB1) 2.805 0.984 0.984 weight 1.000 ! spec=SH3CFn15noe, no=136, id=1081, vol=7.140000e+08
assign (segid "    " and resid   22 and name   HN) (segid "    " and resid   21 and name  HB2) 3.408 1.452 1.452 weight 1.000 ! spec=SH3CFn15noe, no=137, id=1082, vol=2.220000e+08
assign (segid "    " and resid   23 and name   HN) (segid "    " and resid   22 and name  HB2) 2.912 1.060 1.060 weight 1.000 ! spec=SH3CFn15noe, no=138, id=1083, vol=5.710000e+08
assign (segid "    " and resid   23 and name   HN) (segid "    " and resid   23 and name  HB2) 2.864 1.026 1.026 weight 1.000 ! spec=SH3CFn15noe, no=139, id=1084, vol=6.300000e+08
assign (segid "    " and resid   23 and name   HN) (segid "    " and resid   22 and name  HB1) 2.684 0.900 0.900 weight 1.000 ! spec=SH3CFn15noe, no=140, id=1085, vol=9.310000e+08
assign (segid "    " and resid   23 and name   HN) (segid "    " and resid   54 and name HG21) 3.468 1.503 1.503 weight 1.000 ! spec=SH3CFn15noe, no=141, id=1086, vol=2.000000e+08
assign (segid "    " and resid   23 and name   HN) (segid "    " and resid   23 and name  HB1) 2.851 1.016 1.016 weight 1.000 ! spec=SH3CFn15noe, no=142, id=1087, vol=6.480000e+08
assign (segid "    " and resid   23 and name   HN) (segid "    " and resid   23 and name   HG) 3.798 1.803 1.803 weight 1.000 ! spec=SH3CFn15noe, no=143, id=1088, vol=1.160000e+08
assign (segid "    " and resid   22 and name   HA) (segid "    " and resid   23 and name   HN) 2.657 0.883 0.883 weight 1.000 ! spec=SH3CFn15noe, no=144, id=1089, vol=9.880000e+08
assign (segid "    " and resid   23 and name   HN) (segid "    " and resid   23 and name   HA) 3.212 1.289 1.289 weight 1.000 ! spec=SH3CFn15noe, no=145, id=1090, vol=3.170000e+08
assign (segid "    " and resid   23 and name   HN) (segid "    " and resid   53 and name  HA1) 3.672 1.685 1.685 weight 1.000 ! spec=SH3CFn15noe, no=146, id=1091, vol=1.420000e+08
assign (segid "    " and resid   23 and name   HN) (segid "    " and resid   55 and name  HB2) 3.685 1.697 1.697 weight 1.000 ! spec=SH3CFn15noe, no=147, id=1092, vol=1.390000e+08
assign (segid "    " and resid   25 and name   HN) (segid "    " and resid   25 and name  HB2) 2.901 1.052 1.052 weight 1.000 ! spec=SH3CFn15noe, no=148, id=1093, vol=5.840000e+08
assign (segid "    " and resid   25 and name   HN) (segid "    " and resid   24 and name  HG2) 2.656 0.882 0.882 weight 1.000 ! spec=SH3CFn15noe, no=149, id=1094, vol=9.910000e+08
assign (segid "    " and resid   25 and name   HN) (segid "    " and resid   24 and name   HA) 2.407 0.724 0.724 weight 1.000 ! spec=SH3CFn15noe, no=150, id=1095, vol=1.790000e+09
assign (segid "    " and resid   25 and name   HN) (segid "    " and resid   17 and name  HD1) 3.680 1.693 1.693 weight 1.000 ! spec=SH3CFn15noe, no=151, id=1096, vol=1.400000e+08
assign (segid "    " and resid   25 and name   HN) (segid "    " and resid   15 and name  HD1) 3.893 1.894 1.894 weight 1.000 ! spec=SH3CFn15noe, no=153, id=1098, vol=1.000000e+08
assign (segid "    " and resid   28 and name   HN) (segid "    " and resid   27 and name   HA) 2.123 0.563 0.563 weight 1.000 ! spec=SH3CFn15noe, no=154, id=1099, vol=3.800000e+09
assign (segid "    " and resid   28 and name   HN) (segid "    " and resid   10 and name  HG2) 3.186 1.268 1.268 weight 1.000 ! spec=SH3CFn15noe, no=156, id=1101, vol=3.330000e+08
assign (segid "    " and resid   28 and name   HN) (segid "    " and resid   27 and name  HB1) 3.328 1.385 1.385 weight 1.000 ! spec=SH3CFn15noe, no=157, id=1102, vol=2.560000e+08
assign (segid "    " and resid   28 and name   HN) (segid "    " and resid   11 and name   HN) 3.328 1.385 1.385 weight 1.000 ! spec=SH3CFn15noe, no=159, id=1104, vol=2.560000e+08
assign (segid "    " and resid   53 and name   HN) (segid "    " and resid   52 and name  HD2) 3.219 1.295 1.295 weight 1.000 ! spec=SH3CFn15noe, no=162, id=1107, vol=3.130000e+08
assign (segid "    " and resid   30 and name   HN) (segid "    " and resid   30 and name   HA) 3.053 1.165 1.165 weight 1.000 ! spec=SH3CFn15noe, no=163, id=1108, vol=4.300000e+08
assign (segid "    " and resid   30 and name   HN) (segid "    " and resid   29 and name   HA) 2.353 0.692 0.692 weight 1.000 ! spec=SH3CFn15noe, no=164, id=1109, vol=2.050000e+09
assign (segid "    " and resid   30 and name   HN) (segid "    " and resid   31 and name   HN) 3.694 1.705 1.705 weight 1.000 ! spec=SH3CFn15noe, no=165, id=1110, vol=1.370000e+08
assign (segid "    " and resid   30 and name   HN) (segid "    " and resid   29 and name  HB1) 3.451 1.489 1.489 weight 1.000 ! spec=SH3CFn15noe, no=166, id=1111, vol=2.060000e+08
assign (segid "    " and resid   30 and name   HB) (segid "    " and resid   30 and name   HN) 2.573 0.827 0.827 weight 1.000 ! spec=SH3CFn15noe, no=167, id=1112, vol=1.200000e+09
assign (segid "    " and resid   30 and name   HN) (segid "    " and resid   11 and name  HB2) 4.158 2.161 2.161 weight 1.000 ! spec=SH3CFn15noe, no=168, id=1113, vol=6.730000e+07
assign (segid "    " and resid   30 and name   HN) (segid "    " and resid   30 and name HG11) 3.011 1.133 1.133 weight 1.000 ! spec=SH3CFn15noe, no=169, id=1114, vol=4.670000e+08
assign (segid "    " and resid   30 and name   HN) (segid "    " and resid   30 and name HD12) 2.654 0.880 0.880 weight 1.000 ! spec=SH3CFn15noe, no=170, id=1115, vol=9.960000e+08
assign (segid "    " and resid   32 and name   HN) (segid "    " and resid   31 and name HG22) 3.249 1.319 1.319 weight 1.000 ! spec=SH3CFn15noe, no=171, id=1116, vol=2.960000e+08
assign (segid "    " and resid   32 and name   HN) (segid "    " and resid   32 and name  HB2) 2.566 0.823 0.823 weight 1.000 ! spec=SH3CFn15noe, no=172, id=1117, vol=1.220000e+09
assign (segid "    " and resid   32 and name   HN) (segid "    " and resid   47 and name   HN) 3.443 1.482 1.482 weight 1.000 ! spec=SH3CFn15noe, no=173, id=1118, vol=2.090000e+08
assign (segid "    " and resid   32 and name   HN) (segid "    " and resid   31 and name   HN) 3.386 1.433 1.433 weight 1.000 ! spec=SH3CFn15noe, no=174, id=1119, vol=2.310000e+08
assign (segid "    " and resid   32 and name   HN) (segid "    " and resid   45 and name   HN) 3.141 1.234 1.234 weight 1.000 ! spec=SH3CFn15noe, no=175, id=1120, vol=3.620000e+08
assign (segid "    " and resid   39 and name   HN) (segid "    " and resid   38 and name   HN) 3.391 1.437 1.437 weight 1.000 ! spec=SH3CFn15noe, no=176, id=1121, vol=2.290000e+08
assign (segid "    " and resid   39 and name   HN) (segid "    " and resid   39 and name   HA) 2.813 0.989 0.989 weight 1.000 ! spec=SH3CFn15noe, no=178, id=1123, vol=7.030000e+08
assign (segid "    " and resid   39 and name   HN) (segid "    " and resid   37 and name  HB2) 3.192 1.274 1.274 weight 1.000 ! spec=SH3CFn15noe, no=179, id=1124, vol=3.290000e+08
assign (segid "    " and resid   43 and name   HN) (segid "    " and resid   42 and name  HB2) 2.250 0.633 0.633 weight 1.000 ! spec=SH3CFn15noe, no=181, id=1126, vol=2.680000e+09
assign (segid "    " and resid   43 and name   HN) (segid "    " and resid   43 and name   HB) 2.652 0.879 0.879 weight 1.000 ! spec=SH3CFn15noe, no=182, id=1127, vol=1.000000e+09
assign (segid "    " and resid   43 and name   HN) (segid "    " and resid   36 and name   HA) 3.655 1.670 1.670 weight 1.000 ! spec=SH3CFn15noe, no=183, id=1128, vol=1.460000e+08
assign (segid "    " and resid   43 and name   HN) (segid "    " and resid   43 and name   HA) 3.504 1.535 1.535 weight 1.000 ! spec=SH3CFn15noe, no=184, id=1129, vol=1.880000e+08
assign (segid "    " and resid   43 and name   HN) (segid "    " and resid   42 and name   HA) 2.657 0.882 0.882 weight 1.000 ! spec=SH3CFn15noe, no=185, id=1130, vol=9.900000e+08
assign (segid "    " and resid   43 and name   HN) (segid "    " and resid   42 and name  HD1) 2.893 1.046 1.046 weight 1.000 ! spec=SH3CFn15noe, no=186, id=1131, vol=5.940000e+08
assign (segid "    " and resid   43 and name   HN) (segid "    " and resid   44 and name   HN) 3.341 1.396 1.396 weight 1.000 ! spec=SH3CFn15noe, no=188, id=1133, vol=2.500000e+08
assign (segid "    " and resid   51 and name   HN) (segid "    " and resid   50 and name  HD2) 3.585 1.606 1.606 weight 1.000 ! spec=SH3CFn15noe, no=189, id=1134, vol=1.640000e+08
assign (segid "    " and resid   51 and name   HN) (segid "    " and resid   50 and name  HG2) 5.527 3.819 3.819 weight 1.000 ! spec=SH3CFn15noe, no=190, id=1135, vol=1.220000e+07
assign (segid "    " and resid   51 and name   HN) (segid "    " and resid   50 and name  HG1) 4.142 2.145 2.145 weight 1.000 ! spec=SH3CFn15noe, no=191, id=1136, vol=6.890000e+07
assign (segid "    " and resid   51 and name   HN) (segid "    " and resid   51 and name  HB2) 2.827 0.999 0.999 weight 1.000 ! spec=SH3CFn15noe, no=192, id=1137, vol=6.810000e+08
assign (segid "    " and resid   51 and name   HN) (segid "    " and resid   51 and name  HB1) 2.817 0.992 0.992 weight 1.000 ! spec=SH3CFn15noe, no=193, id=1138, vol=6.970000e+08
assign (segid "    " and resid   51 and name   HN) (segid "    " and resid   50 and name   HA) 3.061 1.171 1.171 weight 1.000 ! spec=SH3CFn15noe, no=196, id=1141, vol=4.230000e+08
assign (segid "    " and resid   52 and name  HB1) (segid "    " and resid   53 and name   HN) 3.078 1.184 1.184 weight 1.000 ! spec=SH3CFn15noe, no=198, id=1143, vol=4.090000e+08
assign (segid "    " and resid   63 and name   HN) (segid "    " and resid   63 and name   HG) 3.335 1.390 1.390 weight 1.000 ! spec=SH3CFn15noe, no=199, id=1144, vol=2.530000e+08
assign (segid "    " and resid   63 and name   HN) (segid "    " and resid   63 and name   HA) 2.952 1.089 1.089 weight 1.000 ! spec=SH3CFn15noe, no=201, id=1146, vol=5.260000e+08
assign (segid "    " and resid    2 and name   HN) (segid "    " and resid    1 and name   HA) 3.034 1.151 1.151 weight 1.000 ! spec=SH3CFn15noe, no=204, id=1149, vol=4.460000e+08
assign (segid "    " and resid    3 and name   HN) (segid "    " and resid    2 and name   HA) 2.998 1.124 1.124 weight 1.000 ! spec=SH3CFn15noe, no=205, id=1150, vol=4.790000e+08
assign (segid "    " and resid    3 and name   HN) (segid "    " and resid    3 and name  HB2) 3.210 1.288 1.288 weight 1.000 ! spec=SH3CFn15noe, no=206, id=1151, vol=3.180000e+08
assign (segid "    " and resid    4 and name   HN) (segid "    " and resid    3 and name   HA) 2.549 0.812 0.812 weight 1.000 ! spec=SH3CFn15noe, no=207, id=1152, vol=1.270000e+09
assign (segid "    " and resid    4 and name   HN) (segid "    " and resid    3 and name  HB2) 3.703 1.714 1.714 weight 1.000 ! spec=SH3CFn15noe, no=208, id=1153, vol=1.350000e+08
assign (segid "    " and resid    4 and name   HN) (segid "    " and resid    4 and name  HG2) 3.348 1.401 1.401 weight 1.000 ! spec=SH3CFn15noe, no=209, id=1154, vol=2.470000e+08
assign (segid "    " and resid    4 and name   HN) (segid "    " and resid    4 and name  HB2) 3.421 1.463 1.463 weight 1.000 ! spec=SH3CFn15noe, no=210, id=1155, vol=2.170000e+08
assign (segid "    " and resid    4 and name   HN) (segid "    " and resid    4 and name  HB1) 3.047 1.160 1.160 weight 1.000 ! spec=SH3CFn15noe, no=211, id=1156, vol=4.350000e+08
assign (segid "    " and resid    5 and name  HB2) (segid "    " and resid    5 and name   HN) 2.686 0.902 0.902 weight 1.000 ! spec=SH3CFn15noe, no=212, id=1157, vol=9.270000e+08
assign (segid "    " and resid    5 and name   HN) (segid "    " and resid    4 and name  HG2) 1.543 0.298 0.298 weight 1.000 ! spec=SH3CFn15noe, no=213, id=1158, vol=2.580000e+10
assign (segid "    " and resid    5 and name   HN) (segid "    " and resid    4 and name  HB2) 3.179 1.263 1.263 weight 1.000 ! spec=SH3CFn15noe, no=214, id=1159, vol=3.370000e+08
assign (segid "    " and resid    5 and name   HN) (segid "    " and resid    4 and name  HB1) 1.652 0.341 0.341 weight 1.000 ! spec=SH3CFn15noe, no=215, id=1160, vol=1.710000e+10
assign (segid "    " and resid    5 and name   HN) (segid "    " and resid    4 and name   HA) 2.846 1.012 1.012 weight 1.000 ! spec=SH3CFn15noe, no=216, id=1161, vol=6.550000e+08
assign (segid "    " and resid    5 and name   HA) (segid "    " and resid    5 and name   HN) 2.801 0.980 0.980 weight 1.000 ! spec=SH3CFn15noe, no=217, id=1162, vol=7.210000e+08
assign (segid "    " and resid    5 and name   HN) (segid "    " and resid    6 and name   HN) 3.074 1.182 1.182 weight 1.000 ! spec=SH3CFn15noe, no=218, id=1163, vol=4.120000e+08
assign (segid "    " and resid    6 and name   HN) (segid "    " and resid    6 and name   HG) 3.526 1.554 1.554 weight 1.000 ! spec=SH3CFn15noe, no=219, id=1164, vol=1.810000e+08
assign (segid "    " and resid    6 and name   HN) (segid "    " and resid    6 and name HD12) 4.146 2.149 2.149 weight 1.000 ! spec=SH3CFn15noe, no=220, id=1165, vol=6.850000e+07
assign (segid "    " and resid    6 and name   HN) (segid "    " and resid    6 and name HD22) 4.355 2.371 2.371 weight 1.000 ! spec=SH3CFn15noe, no=221, id=1166, vol=5.100000e+07
assign (segid "    " and resid    7 and name   HN) (segid "    " and resid    6 and name  HB2) 3.224 1.299 1.299 weight 1.000 ! spec=SH3CFn15noe, no=223, id=1168, vol=3.100000e+08
assign (segid "    " and resid    7 and name   HN) (segid "    " and resid    6 and name HD22) 3.798 1.803 1.803 weight 1.000 ! spec=SH3CFn15noe, no=224, id=1169, vol=1.160000e+08
    or (segid "    " and resid    7 and name   HN) (segid "    " and resid    6 and name HD21)
    or (segid "    " and resid    7 and name   HN) (segid "    " and resid    6 and name HD23)
assign (segid "    " and resid    7 and name   HN) (segid "    " and resid    6 and name HD12) 3.928 1.928 1.928 weight 1.000 ! spec=SH3CFn15noe, no=225, id=1170, vol=9.480000e+07
    or (segid "    " and resid    7 and name   HN) (segid "    " and resid    6 and name HD11)
    or (segid "    " and resid    7 and name   HN) (segid "    " and resid    6 and name HD13)
assign (segid "    " and resid    9 and name   HN) (segid "    " and resid   30 and name HG22) 3.150 1.241 1.241 weight 1.000 ! spec=SH3CFn15noe, no=226, id=1171, vol=3.560000e+08
assign (segid "    " and resid    9 and name   HN) (segid "    " and resid    9 and name  HB2) 2.320 0.673 0.673 weight 1.000 ! spec=SH3CFn15noe, no=227, id=1172, vol=2.230000e+09
assign (segid "    " and resid    8 and name  HB2) (segid "    " and resid    9 and name   HN) 3.032 1.149 1.149 weight 1.000 ! spec=SH3CFn15noe, no=228, id=1173, vol=4.480000e+08
assign (segid "    " and resid    9 and name   HN) (segid "    " and resid    9 and name  HD1) 3.489 1.521 1.521 weight 1.000 ! spec=SH3CFn15noe, no=229, id=1174, vol=1.930000e+08
assign (segid "    " and resid    9 and name   HN) (segid "    " and resid   31 and name HG12) 3.880 1.882 1.882 weight 1.000 ! spec=SH3CFn15noe, no=230, id=1175, vol=1.020000e+08
assign (segid "    " and resid   10 and name   HN) (segid "    " and resid   10 and name  HB1) 2.631 0.865 0.865 weight 1.000 ! spec=SH3CFn15noe, no=231, id=1176, vol=1.050000e+09
assign (segid "    " and resid   10 and name   HN) (segid "    " and resid   61 and name  HG1) 2.782 0.967 0.967 weight 1.000 ! spec=SH3CFn15noe, no=232, id=1177, vol=7.510000e+08
assign (segid "    " and resid   10 and name   HN) (segid "    " and resid   63 and name HD12) 3.563 1.587 1.587 weight 1.000 ! spec=SH3CFn15noe, no=234, id=1179, vol=1.700000e+08
assign (segid "    " and resid   10 and name   HN) (segid "    " and resid   60 and name HG12) 3.615 1.633 1.633 weight 1.000 ! spec=SH3CFn15noe, no=235, id=1180, vol=1.560000e+08
assign (segid "    " and resid   11 and name   HN) (segid "    " and resid   29 and name  HB1) 3.855 1.858 1.858 weight 1.000 ! spec=SH3CFn15noe, no=236, id=1181, vol=1.060000e+08
assign (segid "    " and resid   11 and name   HN) (segid "    " and resid   29 and name  HB2) 4.552 2.590 2.590 weight 1.000 ! spec=SH3CFn15noe, no=237, id=1182, vol=3.910000e+07
assign (segid "    " and resid   11 and name   HN) (segid "    " and resid   60 and name HG12) 2.861 1.023 1.023 weight 1.000 ! spec=SH3CFn15noe, no=238, id=1183, vol=6.340000e+08
assign (segid "    " and resid   11 and name  HB2) (segid "    " and resid   29 and name   HN) 2.626 0.862 0.862 weight 1.000 ! spec=SH3CFn15noe, no=240, id=1184, vol=1.060000e+09
assign (segid "    " and resid   29 and name   HN) (segid "    " and resid   10 and name  HG2) 3.638 1.655 1.655 weight 1.000 ! spec=SH3CFn15noe, no=241, id=1185, vol=1.500000e+08
assign (segid "    " and resid   59 and name   HN) (segid "    " and resid   56 and name  HB2) 4.003 2.003 2.003 weight 1.000 ! spec=SH3CFn15noe, no=242, id=1186, vol=8.460000e+07
assign (segid "    " and resid   61 and name   HN) (segid "    " and resid   61 and name  HG2) 2.648 0.876 0.876 weight 1.000 ! spec=SH3CFn15noe, no=243, id=1187, vol=1.010000e+09
assign (segid "    " and resid   12 and name   HG) (segid "    " and resid   12 and name   HN) 2.915 1.062 1.062 weight 1.000 ! spec=SH3CFn15noe, no=245, id=1189, vol=5.670000e+08
assign (segid "    " and resid   12 and name   HN) (segid "    " and resid   12 and name  HB1) 3.411 1.454 1.454 weight 1.000 ! spec=SH3CFn15noe, no=246, id=1190, vol=2.210000e+08
assign (segid "    " and resid   12 and name   HN) (segid "    " and resid   12 and name  HB2) 2.294 0.658 0.658 weight 1.000 ! spec=SH3CFn15noe, no=247, id=1191, vol=2.390000e+09
assign (segid "    " and resid   12 and name   HN) (segid "    " and resid   12 and name HD22) 3.376 1.425 1.425 weight 1.000 ! spec=SH3CFn15noe, no=248, id=1192, vol=2.350000e+08
assign (segid "    " and resid   12 and name   HN) (segid "    " and resid   12 and name HD12) 4.895 2.995 2.995 weight 1.000 ! spec=SH3CFn15noe, no=249, id=1193, vol=2.530000e+07
assign (segid "    " and resid   38 and name   HN) (segid "    " and resid   37 and name   HA) 2.322 0.674 0.674 weight 1.000 ! spec=SH3CFn15noe, no=250, id=1194, vol=2.220000e+09
assign (segid "    " and resid   38 and name   HN) (segid "    " and resid   37 and name  HB1) 2.780 0.966 0.966 weight 1.000 ! spec=SH3CFn15noe, no=251, id=1195, vol=7.540000e+08
assign (segid "    " and resid   38 and name   HN) (segid "    " and resid   38 and name  HB2) 2.827 0.999 0.999 weight 1.000 ! spec=SH3CFn15noe, no=252, id=1196, vol=6.810000e+08
assign (segid "    " and resid   18 and name   HN) (segid "    " and resid   18 and name   HA) 2.245 0.630 0.630 weight 1.000 ! spec=SH3CFn15noe, no=256, id=1200, vol=2.720000e+09
assign (segid "    " and resid   18 and name   HN) (segid "    " and resid   17 and name   HA) 2.513 0.790 0.790 weight 1.000 ! spec=SH3CFn15noe, no=257, id=1201, vol=1.380000e+09
assign (segid "    " and resid   18 and name   HN) (segid "    " and resid   15 and name  HE1) 3.619 1.637 1.637 weight 1.000 ! spec=SH3CFn15noe, no=259, id=1202, vol=1.550000e+08
assign (segid "    " and resid   18 and name   HN) (segid "    " and resid   19 and name  HB1) 4.169 2.172 2.172 weight 1.000 ! spec=SH3CFn15noe, no=261, id=1204, vol=6.630000e+07
assign (segid "    " and resid   18 and name   HN) (segid "    " and resid   18 and name  HG2) 3.267 1.334 1.334 weight 1.000 ! spec=SH3CFn15noe, no=262, id=1205, vol=2.860000e+08
assign (segid "    " and resid   18 and name   HN) (segid "    " and resid   18 and name  HG1) 2.957 1.093 1.093 weight 1.000 ! spec=SH3CFn15noe, no=263, id=1206, vol=5.200000e+08
assign (segid "    " and resid   18 and name   HN) (segid "    " and resid   18 and name  HB2) 3.013 1.135 1.135 weight 1.000 ! spec=SH3CFn15noe, no=264, id=1207, vol=4.650000e+08
assign (segid "    " and resid   18 and name   HN) (segid "    " and resid   18 and name  HB1) 2.744 0.941 0.941 weight 1.000 ! spec=SH3CFn15noe, no=265, id=1208, vol=8.150000e+08
assign (segid "    " and resid   19 and name   HN) (segid "    " and resid   17 and name  HG1) 4.260 2.269 2.269 weight 1.000 ! spec=SH3CFn15noe, no=266, id=1209, vol=5.820000e+07
assign (segid "    " and resid   19 and name   HN) (segid "    " and resid   18 and name  HB1) 3.307 1.367 1.367 weight 1.000 ! spec=SH3CFn15noe, no=267, id=1210, vol=2.660000e+08
assign (segid "    " and resid   20 and name   HN) (segid "    " and resid   19 and name  HB2) 5.037 3.172 3.172 weight 1.000 ! spec=SH3CFn15noe, no=268, id=1211, vol=2.130000e+07
assign (segid "    " and resid   45 and name   HN) (segid "    " and resid   52 and name  HD2) 3.256 1.325 1.325 weight 1.000 ! spec=SH3CFn15noe, no=269, id=1212, vol=2.920000e+08
assign (segid "    " and resid   54 and name   HN) (segid "    " and resid   54 and name   HA) 3.672 1.685 1.685 weight 1.000 ! spec=SH3CFn15noe, no=270, id=1213, vol=1.420000e+08
assign (segid "    " and resid   54 and name   HN) (segid "    " and resid   54 and name  HG1) 3.078 1.184 1.184 weight 1.000 ! spec=SH3CFn15noe, no=271, id=1214, vol=4.090000e+08
assign (segid "    " and resid   45 and name   HN) (segid "    " and resid   44 and name  HA1) 2.513 0.790 0.790 weight 1.000 ! spec=SH3CFn15noe, no=273, id=1216, vol=1.380000e+09
assign (segid "    " and resid   45 and name   HN) (segid "    " and resid   45 and name   HB) 2.058 0.529 0.529 weight 1.000 ! spec=SH3CFn15noe, no=274, id=1217, vol=4.580000e+09
assign (segid "    " and resid   45 and name   HN) (segid "    " and resid   45 and name   HA) 2.591 0.839 0.839 weight 1.000 ! spec=SH3CFn15noe, no=275, id=1218, vol=1.150000e+09
assign (segid "    " and resid   54 and name   HN) (segid "    " and resid   23 and name   HN) 2.914 1.062 1.062 weight 1.000 ! spec=SH3CFn15noe, no=276, id=1219, vol=5.680000e+08
assign (segid "    " and resid   45 and name   HN) (segid "    " and resid   44 and name   HN) 3.585 1.606 1.606 weight 1.000 ! spec=SH3CFn15noe, no=277, id=1220, vol=1.640000e+08
assign (segid "    " and resid   54 and name   HN) (segid "    " and resid   54 and name HG21) 2.545 0.810 0.810 weight 1.000 ! spec=SH3CFn15noe, no=281, id=1221, vol=1.280000e+09
assign (segid "    " and resid   45 and name   HN) (segid "    " and resid   34 and name  HG2) 5.938 4.407 4.407 weight 1.000 ! spec=SH3CFn15noe, no=282, id=1222, vol=7.940000e+06
assign (segid "    " and resid   45 and name   HN) (segid "    " and resid   33 and name   HN) 3.454 1.491 1.491 weight 1.000 ! spec=SH3CFn15noe, no=284, id=1223, vol=2.050000e+08
assign (segid "    " and resid   31 and name   HN) (segid "    " and resid   11 and name   HN) 3.448 1.486 1.486 weight 1.000 ! spec=SH3CFn15noe, no=285, id=1224, vol=2.070000e+08
assign (segid "    " and resid   31 and name   HN) (segid "    " and resid   30 and name   HA) 2.394 0.716 0.716 weight 1.000 ! spec=SH3CFn15noe, no=288, id=1227, vol=1.850000e+09
assign (segid "    " and resid   31 and name   HN) (segid "    " and resid   31 and name   HA) 3.311 1.371 1.371 weight 1.000 ! spec=SH3CFn15noe, no=289, id=1228, vol=2.640000e+08
assign (segid "    " and resid   31 and name   HN) (segid "    " and resid    9 and name  HB2) 3.265 1.333 1.333 weight 1.000 ! spec=SH3CFn15noe, no=290, id=1229, vol=2.870000e+08
assign (segid "    " and resid   31 and name   HN) (segid "    " and resid   30 and name   HB) 2.990 1.117 1.117 weight 1.000 ! spec=SH3CFn15noe, no=292, id=1231, vol=4.870000e+08
assign (segid "    " and resid   31 and name   HN) (segid "    " and resid   30 and name HG22) 2.357 0.694 0.694 weight 1.000 ! spec=SH3CFn15noe, no=293, id=1232, vol=2.030000e+09
assign (segid "    " and resid   31 and name   HN) (segid "    " and resid   30 and name HG11) 2.842 1.010 1.010 weight 1.000 ! spec=SH3CFn15noe, no=294, id=1233, vol=6.600000e+08
assign (segid "    " and resid   32 and name   HN) (segid "    " and resid   31 and name HG12) 2.893 1.046 1.046 weight 1.000 ! spec=SH3CFn15noe, no=295, id=1234, vol=5.930000e+08
assign (segid "    " and resid   31 and name   HN) (segid "    " and resid   31 and name HG22) 3.079 1.185 1.185 weight 1.000 ! spec=SH3CFn15noe, no=296, id=1235, vol=4.080000e+08
assign (segid "    " and resid   23 and name   HN) (segid "    " and resid   55 and name   HA) 3.685 1.697 1.697 weight 1.000 ! spec=SH3CFn15noe, no=297, id=1236, vol=1.390000e+08
assign (segid "    " and resid   22 and name   HN) (segid "    " and resid   23 and name   HN) 3.247 1.318 1.318 weight 1.000 ! spec=SH3CFn15noe, no=298, id=1237, vol=2.970000e+08
assign (segid "    " and resid   23 and name   HN) (segid "    " and resid   24 and name   HN) 3.776 1.782 1.782 weight 1.000 ! spec=SH3CFn15noe, no=299, id=1238, vol=1.200000e+08
assign (segid "    " and resid   55 and name   HN) (segid "    " and resid   55 and name  HD1) 3.667 1.681 1.681 weight 1.000 ! spec=SH3CFn15noe, no=301, id=1240, vol=1.430000e+08
assign (segid "    " and resid   55 and name   HN) (segid "    " and resid   42 and name   HN) 3.231 1.305 1.305 weight 1.000 ! spec=SH3CFn15noe, no=303, id=1241, vol=3.060000e+08
assign (segid "    " and resid   42 and name   HN) (segid "    " and resid   42 and name  HD1) 3.034 1.151 1.151 weight 1.000 ! spec=SH3CFn15noe, no=304, id=1242, vol=4.460000e+08
assign (segid "    " and resid   46 and name   HN) (segid "    " and resid   45 and name  HG1) 3.012 1.134 1.134 weight 1.000 ! spec=SH3CFn15noe, no=307, id=1245, vol=4.660000e+08
assign (segid "    " and resid   46 and name   HN) (segid "    " and resid   45 and name   HA) 2.471 0.763 0.763 weight 1.000 ! spec=SH3CFn15noe, no=308, id=1246, vol=1.530000e+09
assign (segid "    " and resid   42 and name   HN) (segid "    " and resid   42 and name   HA) 2.435 0.741 0.741 weight 1.000 ! spec=SH3CFn15noe, no=309, id=1247, vol=1.670000e+09
assign (segid "    " and resid   42 and name   HN) (segid "    " and resid   41 and name  HB2) 2.693 0.906 0.906 weight 1.000 ! spec=SH3CFn15noe, no=311, id=1249, vol=9.130000e+08
assign (segid "    " and resid   42 and name   HN) (segid "    " and resid   42 and name  HB2) 2.698 0.910 0.910 weight 1.000 ! spec=SH3CFn15noe, no=313, id=1251, vol=9.020000e+08
assign (segid "    " and resid   42 and name   HN) (segid "    " and resid   42 and name  HB1) 2.246 0.631 0.631 weight 1.000 ! spec=SH3CFn15noe, no=314, id=1252, vol=2.710000e+09
assign (segid "    " and resid   42 and name   HN) (segid "    " and resid   41 and name  HB1) 2.894 1.047 1.047 weight 1.000 ! spec=SH3CFn15noe, no=315, id=1253, vol=5.920000e+08
assign (segid "    " and resid   40 and name   HN) (segid "    " and resid   37 and name   HN) 3.978 1.978 1.978 weight 1.000 ! spec=SH3CFn15noe, no=316, id=1254, vol=8.780000e+07
assign (segid "    " and resid   40 and name   HN) (segid "    " and resid   42 and name  HD1) 3.182 1.266 1.266 weight 1.000 ! spec=SH3CFn15noe, no=317, id=1255, vol=3.350000e+08
assign (segid "    " and resid   40 and name   HN) (segid "    " and resid   39 and name   HA) 3.630 1.647 1.647 weight 1.000 ! spec=SH3CFn15noe, no=318, id=1256, vol=1.520000e+08
assign (segid "    " and resid   40 and name   HN) (segid "    " and resid   38 and name   HA) 3.123 1.219 1.219 weight 1.000 ! spec=SH3CFn15noe, no=319, id=1257, vol=3.750000e+08
assign (segid "    " and resid   40 and name   HN) (segid "    " and resid   40 and name  HA1) 2.545 0.810 0.810 weight 1.000 ! spec=SH3CFn15noe, no=321, id=1259, vol=1.280000e+09
assign (segid "    " and resid   40 and name   HN) (segid "    " and resid   39 and name  HB2) 3.371 1.421 1.421 weight 1.000 ! spec=SH3CFn15noe, no=323, id=1261, vol=2.370000e+08
assign (segid "    " and resid   46 and name   HN) (segid "    " and resid   46 and name   HA) 3.208 1.287 1.287 weight 1.000 ! spec=SH3CFn15noe, no=324, id=1262, vol=3.190000e+08
assign (segid "    " and resid   52 and name   HN) (segid "    " and resid   23 and name HD22) 3.269 1.336 1.336 weight 1.000 ! spec=SH3CFn15noe, no=325, id=1263, vol=2.850000e+08
assign (segid "    " and resid   52 and name   HN) (segid "    " and resid   45 and name HG21) 3.305 1.365 1.365 weight 1.000 ! spec=SH3CFn15noe, no=326, id=1264, vol=2.670000e+08
assign (segid "    " and resid   24 and name   HN) (segid "    " and resid   23 and name HD22) 2.790 0.973 0.973 weight 1.000 ! spec=SH3CFn15noe, no=327, id=1265, vol=7.380000e+08
assign (segid "    " and resid   24 and name   HN) (segid "    " and resid   24 and name  HG2) 3.295 1.357 1.357 weight 1.000 ! spec=SH3CFn15noe, no=329, id=1267, vol=2.720000e+08
assign (segid "    " and resid   24 and name   HN) (segid "    " and resid   17 and name  HG2) 3.638 1.655 1.655 weight 1.000 ! spec=SH3CFn15noe, no=330, id=1268, vol=1.500000e+08
assign (segid "    " and resid   24 and name   HN) (segid "    " and resid   24 and name  HB1) 2.648 0.876 0.876 weight 1.000 ! spec=SH3CFn15noe, no=331, id=1269, vol=1.010000e+09
assign (segid "    " and resid   24 and name   HN) (segid "    " and resid   23 and name  HB2) 3.904 1.905 1.905 weight 1.000 ! spec=SH3CFn15noe, no=332, id=1270, vol=9.830000e+07
assign (segid "    " and resid   24 and name   HN) (segid "    " and resid   23 and name HD12) 3.408 1.452 1.452 weight 1.000 ! spec=SH3CFn15noe, no=333, id=1271, vol=2.220000e+08
assign (segid "    " and resid   24 and name   HN) (segid "    " and resid   24 and name  HG1) 2.855 1.019 1.019 weight 1.000 ! spec=SH3CFn15noe, no=334, id=1272, vol=6.420000e+08
assign (segid "    " and resid   41 and name   HN) (segid "    " and resid   42 and name   HN) 3.756 1.763 1.763 weight 1.000 ! spec=SH3CFn15noe, no=335, id=1273, vol=1.240000e+08
assign (segid "    " and resid   41 and name   HN) (segid "    " and resid   41 and name  HD1) 2.849 1.015 1.015 weight 1.000 ! spec=SH3CFn15noe, no=336, id=1274, vol=6.500000e+08
assign (segid "    " and resid   24 and name   HN) (segid "    " and resid   24 and name   HA) 2.949 1.087 1.087 weight 1.000 ! spec=SH3CFn15noe, no=337, id=1275, vol=5.290000e+08
assign (segid "    " and resid   24 and name   HN) (segid "    " and resid   23 and name   HA) 2.286 0.653 0.653 weight 1.000 ! spec=SH3CFn15noe, no=338, id=1276, vol=2.440000e+09
assign (segid "    " and resid   41 and name   HN) (segid "    " and resid   41 and name  HB1) 2.830 1.001 1.001 weight 1.000 ! spec=SH3CFn15noe, no=339, id=1277, vol=6.780000e+08
assign (segid "    " and resid   41 and name   HN) (segid "    " and resid   41 and name  HB2) 2.721 0.925 0.925 weight 1.000 ! spec=SH3CFn15noe, no=340, id=1278, vol=8.580000e+08
assign (segid "    " and resid   41 and name   HN) (segid "    " and resid   37 and name  HB2) 2.771 0.960 0.960 weight 1.000 ! spec=SH3CFn15noe, no=341, id=1279, vol=7.690000e+08
assign (segid "    " and resid   41 and name   HN) (segid "    " and resid   40 and name  HA1) 2.622 0.860 0.860 weight 1.000 ! spec=SH3CFn15noe, no=342, id=1280, vol=1.070000e+09
assign (segid "    " and resid   25 and name   HN) (segid "    " and resid   25 and name  HB1) 3.140 1.232 1.232 weight 1.000 ! spec=SH3CFn15noe, no=343, id=1281, vol=3.630000e+08
assign (segid "    " and resid   25 and name   HN) (segid "    " and resid   25 and name HD22) 4.660 2.714 2.714 weight 1.000 ! spec=SH3CFn15noe, no=344, id=1282, vol=3.400000e+07
assign (segid "    " and resid   25 and name   HN) (segid "    " and resid   25 and name HD12) 2.950 1.088 1.088 weight 1.000 ! spec=SH3CFn15noe, no=345, id=1283, vol=5.280000e+08
assign (segid "    " and resid   25 and name   HN) (segid "    " and resid   17 and name  HD2) 3.513 1.543 1.543 weight 1.000 ! spec=SH3CFn15noe, no=346, id=1284, vol=1.850000e+08
assign (segid "    " and resid   25 and name   HN) (segid "    " and resid   15 and name  HB2) 3.339 1.394 1.394 weight 1.000 ! spec=SH3CFn15noe, no=348, id=1286, vol=2.510000e+08
assign (segid "    " and resid   25 and name   HN) (segid "    " and resid   25 and name   HG) 3.066 1.175 1.175 weight 1.000 ! spec=SH3CFn15noe, no=350, id=1288, vol=4.190000e+08
assign (segid "    " and resid   26 and name   HN) (segid "    " and resid   25 and name HD22) 3.051 1.164 1.164 weight 1.000 ! spec=SH3CFn15noe, no=351, id=1289, vol=4.310000e+08
assign (segid "    " and resid   26 and name   HN) (segid "    " and resid   25 and name  HB1) 3.073 1.181 1.181 weight 1.000 ! spec=SH3CFn15noe, no=352, id=1290, vol=4.130000e+08
assign (segid "    " and resid   26 and name   HN) (segid "    " and resid   25 and name   HG) 3.776 1.782 1.782 weight 1.000 ! spec=SH3CFn15noe, no=353, id=1291, vol=1.200000e+08
assign (segid "    " and resid   26 and name   HN) (segid "    " and resid   26 and name  HB2) 2.919 1.065 1.065 weight 1.000 ! spec=SH3CFn15noe, no=354, id=1292, vol=5.620000e+08
assign (segid "    " and resid   26 and name   HN) (segid "    " and resid   26 and name  HB1) 2.985 1.114 1.114 weight 1.000 ! spec=SH3CFn15noe, no=355, id=1293, vol=4.920000e+08
assign (segid "    " and resid   26 and name   HN) (segid "    " and resid   26 and name   HA) 2.827 0.999 0.999 weight 1.000 ! spec=SH3CFn15noe, no=357, id=1295, vol=6.820000e+08
assign (segid "    " and resid   26 and name   HN) (segid "    " and resid   25 and name   HA) 2.375 0.705 0.705 weight 1.000 ! spec=SH3CFn15noe, no=358, id=1296, vol=1.940000e+09
assign (segid "    " and resid   26 and name   HN) (segid "    " and resid   29 and name   HN) 3.585 1.606 1.606 weight 1.000 ! spec=SH3CFn15noe, no=360, id=1298, vol=1.640000e+08
assign (segid "    " and resid   26 and name   HN) (segid "    " and resid   15 and name   HN) 3.086 1.190 1.190 weight 1.000 ! spec=SH3CFn15noe, no=361, id=1299, vol=4.030000e+08
assign (segid "    " and resid   26 and name   HN) (segid "    " and resid   14 and name   HA) 3.451 1.489 1.489 weight 1.000 ! spec=SH3CFn15noe, no=362, id=1300, vol=2.060000e+08
assign (segid "    " and resid   28 and name   HN) (segid "    " and resid   27 and name   HN) 3.254 1.324 1.324 weight 1.000 ! spec=SH3CFn15noe, no=363, id=1301, vol=2.930000e+08
assign (segid "    " and resid   27 and name   HN) (segid "    " and resid   26 and name   HN) 3.454 1.491 1.491 weight 1.000 ! spec=SH3CFn15noe, no=364, id=1302, vol=2.050000e+08
assign (segid "    " and resid   27 and name   HN) (segid "    " and resid   26 and name   HA) 1.916 0.459 0.459 weight 1.000 ! spec=SH3CFn15noe, no=365, id=1303, vol=7.040000e+09
assign (segid "    " and resid   27 and name   HN) (segid "    " and resid   14 and name  HB1) 3.287 1.350 1.350 weight 1.000 ! spec=SH3CFn15noe, no=367, id=1305, vol=2.760000e+08
assign (segid "    " and resid   27 and name   HN) (segid "    " and resid   27 and name   HA) 2.735 0.935 0.935 weight 1.000 ! spec=SH3CFn15noe, no=368, id=1306, vol=8.310000e+08
assign (segid "    " and resid   27 and name   HN) (segid "    " and resid   26 and name  HD2) 4.102 2.104 2.104 weight 1.000 ! spec=SH3CFn15noe, no=369, id=1307, vol=7.300000e+07
assign (segid "    " and resid   27 and name   HN) (segid "    " and resid   27 and name  HB1) 2.683 0.900 0.900 weight 1.000 ! spec=SH3CFn15noe, no=370, id=1308, vol=9.330000e+08
assign (segid "    " and resid   27 and name   HN) (segid "    " and resid   27 and name  HB2) 2.779 0.966 0.966 weight 1.000 ! spec=SH3CFn15noe, no=371, id=1309, vol=7.550000e+08
assign (segid "    " and resid   27 and name   HN) (segid "    " and resid   11 and name  HB2) 3.923 1.924 1.924 weight 1.000 ! spec=SH3CFn15noe, no=372, id=1310, vol=9.540000e+07
assign (segid "    " and resid   27 and name   HN) (segid "    " and resid   26 and name  HB2) 2.970 1.103 1.103 weight 1.000 ! spec=SH3CFn15noe, no=373, id=1311, vol=5.070000e+08
assign (segid "    " and resid   27 and name   HN) (segid "    " and resid   26 and name  HB1) 2.790 0.973 0.973 weight 1.000 ! spec=SH3CFn15noe, no=374, id=1312, vol=7.370000e+08
assign (segid "    " and resid   15 and name   HN) (segid "    " and resid   27 and name   HN) 3.746 1.754 1.754 weight 1.000 ! spec=SH3CFn15noe, no=375, id=1313, vol=1.260000e+08
assign (segid "    " and resid   28 and name   HN) (segid "    " and resid   11 and name   HA) 3.712 1.722 1.722 weight 1.000 ! spec=SH3CFn15noe, no=376, id=1314, vol=1.330000e+08
assign (segid "    " and resid   53 and name   HN) (segid "    " and resid   45 and name   HA) 3.190 1.272 1.272 weight 1.000 ! spec=SH3CFn15noe, no=378, id=1316, vol=3.300000e+08
assign (segid "    " and resid   53 and name   HN) (segid "    " and resid   44 and name  HA1) 3.689 1.701 1.701 weight 1.000 ! spec=SH3CFn15noe, no=380, id=1317, vol=1.380000e+08
assign (segid "    " and resid   53 and name   HN) (segid "    " and resid   46 and name  HB1) 5.582 3.895 3.895 weight 1.000 ! spec=SH3CFn15noe, no=381, id=1318, vol=1.150000e+07
assign (segid "    " and resid   53 and name   HN) (segid "    " and resid   23 and name   HG) 3.184 1.267 1.267 weight 1.000 ! spec=SH3CFn15noe, no=383, id=1320, vol=3.340000e+08
assign (segid "    " and resid   53 and name   HN) (segid "    " and resid   23 and name HD22) 3.707 1.718 1.718 weight 1.000 ! spec=SH3CFn15noe, no=384, id=1321, vol=1.340000e+08
assign (segid "    " and resid   29 and name   HN) (segid "    " and resid   29 and name  HB2) 2.622 0.860 0.860 weight 1.000 ! spec=SH3CFn15noe, no=385, id=1322, vol=1.070000e+09
assign (segid "    " and resid   29 and name   HN) (segid "    " and resid   29 and name  HB1) 2.829 1.000 1.000 weight 1.000 ! spec=SH3CFn15noe, no=386, id=1323, vol=6.790000e+08
assign (segid "    " and resid   29 and name   HN) (segid "    " and resid   28 and name  HA1) 2.899 1.051 1.051 weight 1.000 ! spec=SH3CFn15noe, no=387, id=1324, vol=5.860000e+08
assign (segid "    " and resid   29 and name   HN) (segid "    " and resid   29 and name   HA) 2.626 0.862 0.862 weight 1.000 ! spec=SH3CFn15noe, no=388, id=1325, vol=1.060000e+09
assign (segid "    " and resid   30 and name   HN) (segid "    " and resid   30 and name HG12) 3.076 1.183 1.183 weight 1.000 ! spec=SH3CFn15noe, no=391, id=1328, vol=4.110000e+08
assign (segid "    " and resid   30 and name   HN) (segid "    " and resid   30 and name HG22) 3.976 1.976 1.976 weight 1.000 ! spec=SH3CFn15noe, no=392, id=1329, vol=8.810000e+07
assign (segid "    " and resid   30 and name   HN) (segid "    " and resid   31 and name HG22) 4.246 2.253 2.253 weight 1.000 ! spec=SH3CFn15noe, no=393, id=1330, vol=5.940000e+07
assign (segid "    " and resid   47 and name   HN) (segid "    " and resid   30 and name   HN) 2.928 1.072 1.072 weight 1.000 ! spec=SH3CFn15noe, no=394, id=1331, vol=5.520000e+08
assign (segid "    " and resid   30 and name   HN) (segid "    " and resid   47 and name   HA) 3.849 1.852 1.852 weight 1.000 ! spec=SH3CFn15noe, no=395, id=1332, vol=1.070000e+08
assign (segid "    " and resid   32 and name   HN) (segid "    " and resid   30 and name HG22) 3.698 1.710 1.710 weight 1.000 ! spec=SH3CFn15noe, no=396, id=1333, vol=1.360000e+08
assign (segid "    " and resid   32 and name   HN) (segid "    " and resid   45 and name HG21) 4.493 2.523 2.523 weight 1.000 ! spec=SH3CFn15noe, no=397, id=1334, vol=4.230000e+07
assign (segid "    " and resid   32 and name   HN) (segid "    " and resid   31 and name   HA) 2.409 0.725 0.725 weight 1.000 ! spec=SH3CFn15noe, no=399, id=1335, vol=1.780000e+09
assign (segid "    " and resid   32 and name   HN) (segid "    " and resid   45 and name   HB) 3.189 1.271 1.271 weight 1.000 ! spec=SH3CFn15noe, no=400, id=1336, vol=3.310000e+08
assign (segid "    " and resid   32 and name   HN) (segid "    " and resid   44 and name  HA1) 3.981 1.981 1.981 weight 1.000 ! spec=SH3CFn15noe, no=401, id=1337, vol=8.740000e+07
assign (segid "    " and resid   32 and name   HN) (segid "    " and resid   32 and name   HA) 3.056 1.168 1.168 weight 1.000 ! spec=SH3CFn15noe, no=402, id=1338, vol=4.270000e+08
assign (segid "    " and resid   30 and name   HN) (segid "    " and resid   29 and name  HB2) 4.590 2.634 2.634 weight 1.000 ! spec=SH3CFn15noe, no=403, id=1339, vol=3.720000e+07
assign (segid "    " and resid   33 and name   HN) (segid "    " and resid   32 and name   HN) 3.435 1.474 1.474 weight 1.000 ! spec=SH3CFn15noe, no=405, id=1340, vol=2.120000e+08
assign (segid "    " and resid   33 and name   HN) (segid "    " and resid    7 and name  HB2) 4.242 2.250 2.250 weight 1.000 ! spec=SH3CFn15noe, no=406, id=1341, vol=5.970000e+07
assign (segid "    " and resid   33 and name   HN) (segid "    " and resid   33 and name HG12) 2.858 1.021 1.021 weight 1.000 ! spec=SH3CFn15noe, no=407, id=1342, vol=6.390000e+08
assign (segid "    " and resid   33 and name   HN) (segid "    " and resid   33 and name HG22) 3.232 1.306 1.306 weight 1.000 ! spec=SH3CFn15noe, no=408, id=1343, vol=3.050000e+08
assign (segid "    " and resid   34 and name   HN) (segid "    " and resid   34 and name   HA) 2.400 0.720 0.720 weight 1.000 ! spec=SH3CFn15noe, no=410, id=1345, vol=1.820000e+09
assign (segid "    " and resid   34 and name   HN) (segid "    " and resid   44 and name  HA1) 2.698 0.910 0.910 weight 1.000 ! spec=SH3CFn15noe, no=411, id=1346, vol=9.030000e+08
assign (segid "    " and resid   34 and name   HN) (segid "    " and resid   33 and name   HA) 2.507 0.786 0.786 weight 1.000 ! spec=SH3CFn15noe, no=412, id=1347, vol=1.400000e+09
assign (segid "    " and resid   34 and name   HN) (segid "    " and resid   34 and name  HG2) 2.869 1.029 1.029 weight 1.000 ! spec=SH3CFn15noe, no=413, id=1348, vol=6.240000e+08
assign (segid "    " and resid   34 and name   HN) (segid "    " and resid   34 and name  HB2) 2.452 0.752 0.752 weight 1.000 ! spec=SH3CFn15noe, no=414, id=1349, vol=1.600000e+09
assign (segid "    " and resid   34 and name   HN) (segid "    " and resid   33 and name HG22) 2.347 0.689 0.689 weight 1.000 ! spec=SH3CFn15noe, no=415, id=1350, vol=2.080000e+09
assign (segid "    " and resid   34 and name   HN) (segid "    " and resid   33 and name HG12) 3.751 1.758 1.758 weight 1.000 ! spec=SH3CFn15noe, no=416, id=1351, vol=1.250000e+08
assign (segid "    " and resid   35 and name   HN) (segid "    " and resid   33 and name HG22) 2.679 0.897 0.897 weight 1.000 ! spec=SH3CFn15noe, no=417, id=1352, vol=9.410000e+08
assign (segid "    " and resid   43 and name HG12) (segid "    " and resid   35 and name   HN) 3.265 1.333 1.333 weight 1.000 ! spec=SH3CFn15noe, no=418, id=1353, vol=2.870000e+08
assign (segid "    " and resid   35 and name   HN) (segid "    " and resid   35 and name  HB2) 2.520 0.794 0.794 weight 1.000 ! spec=SH3CFn15noe, no=420, id=1354, vol=1.360000e+09
assign (segid "    " and resid   35 and name   HN) (segid "    " and resid   34 and name  HB2) 3.079 1.185 1.185 weight 1.000 ! spec=SH3CFn15noe, no=421, id=1355, vol=4.080000e+08
assign (segid "    " and resid   35 and name   HN) (segid "    " and resid   33 and name   HA) 2.975 1.106 1.106 weight 1.000 ! spec=SH3CFn15noe, no=423, id=1357, vol=5.020000e+08
assign (segid "    " and resid   35 and name   HN) (segid "    " and resid   35 and name   HA) 2.344 0.687 0.687 weight 1.000 ! spec=SH3CFn15noe, no=424, id=1358, vol=2.100000e+09
assign (segid "    " and resid   35 and name   HN) (segid "    " and resid   34 and name   HA) 2.971 1.103 1.103 weight 1.000 ! spec=SH3CFn15noe, no=425, id=1359, vol=5.060000e+08
assign (segid "    " and resid   34 and name   HN) (segid "    " and resid   35 and name   HN) 2.667 0.889 0.889 weight 1.000 ! spec=SH3CFn15noe, no=426, id=1360, vol=9.660000e+08
assign (segid "    " and resid   43 and name   HN) (segid "    " and resid   35 and name   HN) 2.504 0.784 0.784 weight 1.000 ! spec=SH3CFn15noe, no=427, id=1361, vol=1.410000e+09
assign (segid "    " and resid   35 and name   HN) (segid "    " and resid   34 and name  HE2) 5.049 3.187 3.187 weight 1.000 ! spec=SH3CFn15noe, no=428, id=1362, vol=2.100000e+07
assign (segid "    " and resid   36 and name   HN) (segid "    " and resid   36 and name  HG1) 3.205 1.284 1.284 weight 1.000 ! spec=SH3CFn15noe, no=429, id=1363, vol=3.210000e+08
assign (segid "    " and resid   36 and name   HN) (segid "    " and resid   33 and name HG22) 3.751 1.758 1.758 weight 1.000 ! spec=SH3CFn15noe, no=430, id=1364, vol=1.250000e+08
assign (segid "    " and resid   36 and name   HN) (segid "    " and resid   36 and name  HG2) 3.090 1.193 1.193 weight 1.000 ! spec=SH3CFn15noe, no=431, id=1365, vol=4.000000e+08
assign (segid "    " and resid   36 and name   HN) (segid "    " and resid   36 and name  HD2) 3.893 1.894 1.894 weight 1.000 ! spec=SH3CFn15noe, no=432, id=1366, vol=1.000000e+08
assign (segid "    " and resid   36 and name   HN) (segid "    " and resid   36 and name  HB2) 2.815 0.990 0.990 weight 1.000 ! spec=SH3CFn15noe, no=433, id=1367, vol=7.000000e+08
assign (segid "    " and resid   36 and name   HN) (segid "    " and resid   35 and name  HG2) 2.820 0.994 0.994 weight 1.000 ! spec=SH3CFn15noe, no=435, id=1369, vol=6.920000e+08
assign (segid "    " and resid   36 and name   HN) (segid "    " and resid   35 and name   HA) 2.287 0.654 0.654 weight 1.000 ! spec=SH3CFn15noe, no=436, id=1370, vol=2.430000e+09
assign (segid "    " and resid   36 and name   HN) (segid "    " and resid   35 and name   HN) 3.761 1.768 1.768 weight 1.000 ! spec=SH3CFn15noe, no=437, id=1371, vol=1.230000e+08
assign (segid "    " and resid   37 and name   HN) (segid "    " and resid   36 and name   HA) 2.602 0.847 0.847 weight 1.000 ! spec=SH3CFn15noe, no=438, id=1372, vol=1.120000e+09
assign (segid "    " and resid   37 and name   HN) (segid "    " and resid   37 and name   HA) 2.580 0.832 0.832 weight 1.000 ! spec=SH3CFn15noe, no=439, id=1373, vol=1.180000e+09
assign (segid "    " and resid   37 and name   HN) (segid "    " and resid   42 and name   HA) 3.077 1.183 1.183 weight 1.000 ! spec=SH3CFn15noe, no=440, id=1374, vol=4.100000e+08
assign (segid "    " and resid   37 and name   HN) (segid "    " and resid   42 and name  HD1) 2.893 1.046 1.046 weight 1.000 ! spec=SH3CFn15noe, no=441, id=1375, vol=5.940000e+08
assign (segid "    " and resid   37 and name  HB1) (segid "    " and resid   37 and name   HN) 3.173 1.258 1.258 weight 1.000 ! spec=SH3CFn15noe, no=442, id=1376, vol=3.410000e+08
assign (segid "    " and resid   37 and name  HB2) (segid "    " and resid   37 and name   HN) 2.937 1.078 1.078 weight 1.000 ! spec=SH3CFn15noe, no=443, id=1377, vol=5.420000e+08
assign (segid "    " and resid   37 and name   HN) (segid "    " and resid   41 and name  HB1) 4.707 2.769 2.769 weight 1.000 ! spec=SH3CFn15noe, no=444, id=1378, vol=3.200000e+07
assign (segid "    " and resid   37 and name   HN) (segid "    " and resid   35 and name  HG2) 3.262 1.330 1.330 weight 1.000 ! spec=SH3CFn15noe, no=445, id=1379, vol=2.890000e+08
assign (segid "    " and resid   37 and name   HN) (segid "    " and resid   36 and name  HB2) 3.085 1.189 1.189 weight 1.000 ! spec=SH3CFn15noe, no=446, id=1380, vol=4.040000e+08
assign (segid "    " and resid   37 and name   HN) (segid "    " and resid   36 and name  HG2) 3.592 1.613 1.613 weight 1.000 ! spec=SH3CFn15noe, no=447, id=1381, vol=1.620000e+08
assign (segid "    " and resid   37 and name   HN) (segid "    " and resid   36 and name  HG1) 4.203 2.208 2.208 weight 1.000 ! spec=SH3CFn15noe, no=448, id=1382, vol=6.310000e+07
assign (segid "    " and resid   42 and name   HN) (segid "    " and resid   56 and name  HB1) 6.826 5.824 5.824 weight 1.000 ! spec=SH3CFn15noe, no=449, id=1383, vol=3.440000e+06
assign (segid "    " and resid   39 and name   HN) (segid "    " and resid   39 and name  HB2) 3.071 1.179 1.179 weight 1.000 ! spec=SH3CFn15noe, no=450, id=1384, vol=4.150000e+08
assign (segid "    " and resid   39 and name   HN) (segid "    " and resid   37 and name  HB1) 3.231 1.305 1.305 weight 1.000 ! spec=SH3CFn15noe, no=451, id=1385, vol=3.060000e+08
assign (segid "    " and resid   39 and name   HN) (segid "    " and resid   38 and name  HB2) 3.176 1.261 1.261 weight 1.000 ! spec=SH3CFn15noe, no=452, id=1386, vol=3.390000e+08
assign (segid "    " and resid   43 and name   HN) (segid "    " and resid   33 and name HG22) 2.021 0.511 0.511 weight 1.000 ! spec=SH3CFn15noe, no=453, id=1387, vol=5.100000e+09
assign (segid "    " and resid   43 and name   HN) (segid "    " and resid   43 and name HG22) 3.059 1.169 1.169 weight 1.000 ! spec=SH3CFn15noe, no=454, id=1388, vol=4.250000e+08
assign (segid "    " and resid   53 and name   HN) (segid "    " and resid   44 and name   HN) 2.898 1.049 1.049 weight 1.000 ! spec=SH3CFn15noe, no=456, id=1390, vol=5.880000e+08
assign (segid "    " and resid   44 and name   HN) (segid "    " and resid   52 and name  HD2) 3.659 1.674 1.674 weight 1.000 ! spec=SH3CFn15noe, no=457, id=1391, vol=1.450000e+08
assign (segid "    " and resid   44 and name   HN) (segid "    " and resid   45 and name  HG1) 4.072 2.073 2.073 weight 1.000 ! spec=SH3CFn15noe, no=459, id=1393, vol=7.630000e+07
assign (segid "    " and resid   44 and name   HN) (segid "    " and resid   43 and name   HA) 2.400 0.720 0.720 weight 1.000 ! spec=SH3CFn15noe, no=460, id=1394, vol=1.820000e+09
assign (segid "    " and resid   44 and name   HN) (segid "    " and resid   44 and name  HA1) 2.911 1.059 1.059 weight 1.000 ! spec=SH3CFn15noe, no=461, id=1395, vol=5.720000e+08
assign (segid "    " and resid   44 and name   HN) (segid "    " and resid   43 and name   HB) 3.437 1.477 1.477 weight 1.000 ! spec=SH3CFn15noe, no=462, id=1396, vol=2.110000e+08
assign (segid "    " and resid   44 and name   HN) (segid "    " and resid   43 and name HG12) 2.610 0.852 0.852 weight 1.000 ! spec=SH3CFn15noe, no=463, id=1397, vol=1.100000e+09
assign (segid "    " and resid   44 and name   HN) (segid "    " and resid   33 and name HG22) 3.378 1.427 1.427 weight 1.000 ! spec=SH3CFn15noe, no=464, id=1398, vol=2.340000e+08
assign (segid "    " and resid   54 and name   HN) (segid "    " and resid   55 and name  HB1) 3.886 1.888 1.888 weight 1.000 ! spec=SH3CFn15noe, no=465, id=1399, vol=1.010000e+08
assign (segid "    " and resid   45 and name   HN) (segid "    " and resid   31 and name HG12) 1.905 0.453 0.453 weight 1.000 ! spec=SH3CFn15noe, no=466, id=1400, vol=7.290000e+09
assign (segid "    " and resid   54 and name   HN) (segid "    " and resid   43 and name HG12) 15.265 15.265 29.128 weight 1.000 ! spec=SH3CFn15noe, no=468, id=1402, vol=2.750000e+04
assign (segid "    " and resid   46 and name   HN) (segid "    " and resid   51 and name   HN) 2.194 0.602 0.602 weight 1.000 ! spec=SH3CFn15noe, no=469, id=1403, vol=3.120000e+09
assign (segid "    " and resid   46 and name   HN) (segid "    " and resid   50 and name   HN) 2.935 1.077 1.077 weight 1.000 ! spec=SH3CFn15noe, no=470, id=1404, vol=5.440000e+08
assign (segid "    " and resid   46 and name   HN) (segid "    " and resid   46 and name  HB2) 2.717 0.923 0.923 weight 1.000 ! spec=SH3CFn15noe, no=471, id=1405, vol=8.650000e+08
assign (segid "    " and resid   46 and name   HN) (segid "    " and resid   46 and name  HB1) 3.013 1.135 1.135 weight 1.000 ! spec=SH3CFn15noe, no=472, id=1406, vol=4.650000e+08
assign (segid "    " and resid   46 and name   HN) (segid "    " and resid   45 and name HG21) 2.770 0.959 0.959 weight 1.000 ! spec=SH3CFn15noe, no=473, id=1407, vol=7.700000e+08
assign (segid "    " and resid   23 and name   HG) (segid "    " and resid   46 and name   HN) 2.555 0.816 0.816 weight 1.000 ! spec=SH3CFn15noe, no=474, id=1408, vol=1.250000e+09
assign (segid "    " and resid   46 and name   HN) (segid "    " and resid   23 and name HD22) 2.049 0.525 0.525 weight 1.000 ! spec=SH3CFn15noe, no=475, id=1409, vol=4.700000e+09
assign (segid "    " and resid   47 and name   HN) (segid "    " and resid   30 and name HG22) 3.560 1.584 1.584 weight 1.000 ! spec=SH3CFn15noe, no=477, id=1411, vol=1.710000e+08
assign (segid "    " and resid   31 and name HG22) (segid "    " and resid   47 and name   HN) 2.951 1.088 1.088 weight 1.000 ! spec=SH3CFn15noe, no=478, id=1412, vol=5.270000e+08
assign (segid "    " and resid   47 and name   HN) (segid "    " and resid   47 and name  HG2) 3.215 1.292 1.292 weight 1.000 ! spec=SH3CFn15noe, no=480, id=1414, vol=3.150000e+08
assign (segid "    " and resid   48 and name   HN) (segid "    " and resid   48 and name   HA) 2.716 0.922 0.922 weight 1.000 ! spec=SH3CFn15noe, no=481, id=1415, vol=8.670000e+08
assign (segid "    " and resid   48 and name   HN) (segid "    " and resid   46 and name  HB1) 3.313 1.372 1.372 weight 1.000 ! spec=SH3CFn15noe, no=482, id=1416, vol=2.630000e+08
assign (segid "    " and resid   48 and name   HN) (segid "    " and resid   46 and name   HA) 3.297 1.359 1.359 weight 1.000 ! spec=SH3CFn15noe, no=483, id=1417, vol=2.710000e+08
assign (segid "    " and resid   48 and name   HN) (segid "    " and resid   48 and name  HD1) 3.680 1.693 1.693 weight 1.000 ! spec=SH3CFn15noe, no=484, id=1418, vol=1.400000e+08
assign (segid "    " and resid   48 and name   HN) (segid "    " and resid   49 and name HG21) 3.303 1.364 1.364 weight 1.000 ! spec=SH3CFn15noe, no=485, id=1419, vol=2.680000e+08
assign (segid "    " and resid   48 and name   HN) (segid "    " and resid   48 and name  HG2) 3.212 1.289 1.289 weight 1.000 ! spec=SH3CFn15noe, no=486, id=1420, vol=3.170000e+08
assign (segid "    " and resid   48 and name   HN) (segid "    " and resid   48 and name  HB1) 2.689 0.904 0.904 weight 1.000 ! spec=SH3CFn15noe, no=487, id=1421, vol=9.210000e+08
assign (segid "    " and resid   48 and name   HN) (segid "    " and resid   48 and name  HB2) 2.970 1.103 1.103 weight 1.000 ! spec=SH3CFn15noe, no=488, id=1422, vol=5.070000e+08
assign (segid "    " and resid   48 and name   HN) (segid "    " and resid   47 and name  HB2) 2.882 1.038 1.038 weight 1.000 ! spec=SH3CFn15noe, no=489, id=1423, vol=6.070000e+08
assign (segid "    " and resid   48 and name   HN) (segid "    " and resid   48 and name  HG1) 3.378 1.427 1.427 weight 1.000 ! spec=SH3CFn15noe, no=490, id=1424, vol=2.340000e+08
assign (segid "    " and resid   48 and name   HN) (segid "    " and resid   49 and name   HN) 2.784 0.969 0.969 weight 1.000 ! spec=SH3CFn15noe, no=492, id=1426, vol=7.470000e+08
assign (segid "    " and resid   47 and name   HN) (segid "    " and resid   48 and name   HN) 2.777 0.964 0.964 weight 1.000 ! spec=SH3CFn15noe, no=495, id=1429, vol=7.590000e+08
assign (segid "    " and resid   49 and name   HN) (segid "    " and resid   49 and name HG21) 2.626 0.862 0.862 weight 1.000 ! spec=SH3CFn15noe, no=496, id=1430, vol=1.060000e+09
assign (segid "    " and resid   49 and name   HN) (segid "    " and resid   50 and name  HG2) 3.348 1.401 1.401 weight 1.000 ! spec=SH3CFn15noe, no=497, id=1431, vol=2.470000e+08
assign (segid "    " and resid   49 and name   HN) (segid "    " and resid   46 and name  HB1) 3.432 1.472 1.472 weight 1.000 ! spec=SH3CFn15noe, no=501, id=1434, vol=2.130000e+08
assign (segid "    " and resid   49 and name   HN) (segid "    " and resid   46 and name  HB2) 3.010 1.132 1.132 weight 1.000 ! spec=SH3CFn15noe, no=502, id=1435, vol=4.680000e+08
assign (segid "    " and resid   49 and name   HN) (segid "    " and resid   48 and name   HA) 2.892 1.045 1.045 weight 1.000 ! spec=SH3CFn15noe, no=503, id=1436, vol=5.950000e+08
assign (segid "    " and resid   49 and name   HN) (segid "    " and resid   49 and name   HA) 3.355 1.407 1.407 weight 1.000 ! spec=SH3CFn15noe, no=504, id=1437, vol=2.440000e+08
assign (segid "    " and resid   49 and name   HN) (segid "    " and resid   49 and name   HB) 3.227 1.302 1.302 weight 1.000 ! spec=SH3CFn15noe, no=505, id=1438, vol=3.080000e+08
assign (segid "    " and resid   49 and name   HN) (segid "    " and resid   49 and name  HG1) 3.159 1.248 1.248 weight 1.000 ! spec=SH3CFn15noe, no=506, id=1439, vol=3.500000e+08
assign (segid "    " and resid   49 and name   HN) (segid "    " and resid   50 and name   HN) 2.584 0.834 0.834 weight 1.000 ! spec=SH3CFn15noe, no=508, id=1441, vol=1.170000e+09
assign (segid "    " and resid   47 and name   HN) (segid "    " and resid   49 and name   HN) 3.465 1.501 1.501 weight 1.000 ! spec=SH3CFn15noe, no=510, id=1443, vol=2.010000e+08
assign (segid "    " and resid   48 and name   HN) (segid "    " and resid   50 and name   HN) 3.371 1.421 1.421 weight 1.000 ! spec=SH3CFn15noe, no=512, id=1445, vol=2.370000e+08
assign (segid "    " and resid   50 and name   HN) (segid "    " and resid   47 and name   HN) 4.233 2.240 2.240 weight 1.000 ! spec=SH3CFn15noe, no=515, id=1448, vol=6.050000e+07
assign (segid "    " and resid   50 and name   HN) (segid "    " and resid   49 and name  HG1) 3.787 1.792 1.792 weight 1.000 ! spec=SH3CFn15noe, no=516, id=1449, vol=1.180000e+08
assign (segid "    " and resid   50 and name   HN) (segid "    " and resid   46 and name  HB1) 3.273 1.339 1.339 weight 1.000 ! spec=SH3CFn15noe, no=517, id=1450, vol=2.830000e+08
assign (segid "    " and resid   50 and name   HN) (segid "    " and resid   50 and name   HA) 2.302 0.662 0.662 weight 1.000 ! spec=SH3CFn15noe, no=518, id=1451, vol=2.340000e+09
assign (segid "    " and resid   50 and name   HN) (segid "    " and resid   49 and name   HA) 2.787 0.971 0.971 weight 1.000 ! spec=SH3CFn15noe, no=519, id=1452, vol=7.420000e+08
assign (segid "    " and resid   50 and name   HN) (segid "    " and resid   49 and name   HB) 6.280 4.930 4.930 weight 1.000 ! spec=SH3CFn15noe, no=520, id=1453, vol=5.670000e+06
assign (segid "    " and resid   50 and name   HN) (segid "    " and resid   50 and name  HB1) 3.200 1.280 1.280 weight 1.000 ! spec=SH3CFn15noe, no=521, id=1454, vol=3.240000e+08
assign (segid "    " and resid   50 and name   HN) (segid "    " and resid   50 and name  HB2) 3.165 1.252 1.252 weight 1.000 ! spec=SH3CFn15noe, no=522, id=1455, vol=3.460000e+08
assign (segid "    " and resid   50 and name   HN) (segid "    " and resid   51 and name  HG1) 4.084 2.085 2.085 weight 1.000 ! spec=SH3CFn15noe, no=523, id=1456, vol=7.500000e+07
assign (segid "    " and resid   50 and name   HN) (segid "    " and resid   51 and name  HB1) 4.690 2.749 2.749 weight 1.000 ! spec=SH3CFn15noe, no=524, id=1457, vol=3.270000e+07
assign (segid "    " and resid   50 and name   HN) (segid "    " and resid   50 and name  HD2) 2.867 1.027 1.027 weight 1.000 ! spec=SH3CFn15noe, no=525, id=1458, vol=6.270000e+08
assign (segid "    " and resid   50 and name   HN) (segid "    " and resid   50 and name  HG1) 3.556 1.581 1.581 weight 1.000 ! spec=SH3CFn15noe, no=526, id=1459, vol=1.720000e+08
assign (segid "    " and resid   45 and name HG21) (segid "    " and resid   50 and name   HN) 2.798 0.979 0.979 weight 1.000 ! spec=SH3CFn15noe, no=527, id=1460, vol=7.250000e+08
    or (segid "    " and resid   50 and name   HN) (segid "    " and resid   45 and name HG22)
    or (segid "    " and resid   50 and name   HN) (segid "    " and resid   45 and name HG23)
assign (segid "    " and resid   50 and name   HN) (segid "    " and resid   50 and name  HG2) 5.025 3.157 3.157 weight 1.000 ! spec=SH3CFn15noe, no=528, id=1461, vol=2.160000e+07
assign (segid "    " and resid   51 and name   HN) (segid "    " and resid   51 and name  HG1) 3.287 1.350 1.350 weight 1.000 ! spec=SH3CFn15noe, no=529, id=1462, vol=2.760000e+08
assign (segid "    " and resid   51 and name   HN) (segid "    " and resid   51 and name  HG2) 2.881 1.037 1.037 weight 1.000 ! spec=SH3CFn15noe, no=530, id=1463, vol=6.090000e+08
assign (segid "    " and resid   51 and name   HN) (segid "    " and resid   51 and name   HA) 2.539 0.806 0.806 weight 1.000 ! spec=SH3CFn15noe, no=531, id=1464, vol=1.300000e+09
assign (segid "    " and resid   51 and name   HN) (segid "    " and resid   49 and name  HG1) 2.935 1.077 1.077 weight 1.000 ! spec=SH3CFn15noe, no=532, id=1465, vol=5.440000e+08
assign (segid "    " and resid   50 and name   HN) (segid "    " and resid   51 and name   HN) 2.717 0.923 0.923 weight 1.000 ! spec=SH3CFn15noe, no=533, id=1466, vol=8.640000e+08
assign (segid "    " and resid   51 and name   HN) (segid "    " and resid   23 and name HD22) 2.934 1.076 1.076 weight 1.000 ! spec=SH3CFn15noe, no=535, id=1468, vol=5.460000e+08
assign (segid "    " and resid   52 and name   HN) (segid "    " and resid   51 and name  HB1) 3.118 1.215 1.215 weight 1.000 ! spec=SH3CFn15noe, no=536, id=1469, vol=3.790000e+08
assign (segid "    " and resid   52 and name   HN) (segid "    " and resid   51 and name  HB2) 2.732 0.933 0.933 weight 1.000 ! spec=SH3CFn15noe, no=537, id=1470, vol=8.370000e+08
assign (segid "    " and resid   52 and name   HN) (segid "    " and resid   51 and name  HG2) 3.855 1.858 1.858 weight 1.000 ! spec=SH3CFn15noe, no=538, id=1471, vol=1.060000e+08
assign (segid "    " and resid   52 and name   HN) (segid "    " and resid   51 and name  HG1) 3.309 1.369 1.369 weight 1.000 ! spec=SH3CFn15noe, no=539, id=1472, vol=2.650000e+08
assign (segid "    " and resid   52 and name   HN) (segid "    " and resid   52 and name  HB2) 2.790 0.973 0.973 weight 1.000 ! spec=SH3CFn15noe, no=540, id=1473, vol=7.370000e+08
assign (segid "    " and resid   52 and name   HN) (segid "    " and resid   52 and name  HB1) 2.639 0.871 0.871 weight 1.000 ! spec=SH3CFn15noe, no=541, id=1474, vol=1.030000e+09
assign (segid "    " and resid   52 and name   HN) (segid "    " and resid   51 and name   HA) 2.355 0.693 0.693 weight 1.000 ! spec=SH3CFn15noe, no=542, id=1475, vol=2.040000e+09
assign (segid "    " and resid   52 and name   HN) (segid "    " and resid   52 and name   HA) 3.060 1.170 1.170 weight 1.000 ! spec=SH3CFn15noe, no=543, id=1476, vol=4.240000e+08
assign (segid "    " and resid   52 and name   HN) (segid "    " and resid   52 and name  HD2) 3.574 1.597 1.597 weight 1.000 ! spec=SH3CFn15noe, no=544, id=1477, vol=1.670000e+08
assign (segid "    " and resid   52 and name   HN) (segid "    " and resid   51 and name   HN) 3.219 1.295 1.295 weight 1.000 ! spec=SH3CFn15noe, no=545, id=1478, vol=3.130000e+08
assign (segid "    " and resid   53 and name   HN) (segid "    " and resid   53 and name  HA1) 2.573 0.827 0.827 weight 1.000 ! spec=SH3CFn15noe, no=546, id=1479, vol=1.200000e+09
assign (segid "    " and resid   55 and name   HN) (segid "    " and resid   55 and name   HA) 2.879 1.036 1.036 weight 1.000 ! spec=SH3CFn15noe, no=548, id=1481, vol=6.110000e+08
assign (segid "    " and resid   55 and name   HN) (segid "    " and resid   54 and name   HB) 3.269 1.336 1.336 weight 1.000 ! spec=SH3CFn15noe, no=549, id=1482, vol=2.850000e+08
assign (segid "    " and resid   55 and name   HN) (segid "    " and resid   55 and name  HB2) 3.731 1.740 1.740 weight 1.000 ! spec=SH3CFn15noe, no=550, id=1483, vol=1.290000e+08
assign (segid "    " and resid   55 and name   HN) (segid "    " and resid   55 and name  HB1) 4.298 2.309 2.309 weight 1.000 ! spec=SH3CFn15noe, no=551, id=1484, vol=5.520000e+07
assign (segid "    " and resid   55 and name   HN) (segid "    " and resid   42 and name  HB1) 3.501 1.532 1.532 weight 1.000 ! spec=SH3CFn15noe, no=552, id=1485, vol=1.890000e+08
assign (segid "    " and resid   55 and name   HN) (segid "    " and resid   56 and name  HD2) 4.075 2.076 2.076 weight 1.000 ! spec=SH3CFn15noe, no=553, id=1486, vol=7.600000e+07
assign (segid "    " and resid   55 and name   HN) (segid "    " and resid   54 and name HG21) 3.108 1.208 1.208 weight 1.000 ! spec=SH3CFn15noe, no=554, id=1487, vol=3.860000e+08
assign (segid "    " and resid   42 and name   HN) (segid "    " and resid   57 and name   HN) 3.703 1.714 1.714 weight 1.000 ! spec=SH3CFn15noe, no=556, id=1488, vol=1.350000e+08
assign (segid "    " and resid   58 and name   HN) (segid "    " and resid   58 and name   HA) 2.635 0.868 0.868 weight 1.000 ! spec=SH3CFn15noe, no=560, id=1492, vol=1.040000e+09
assign (segid "    " and resid   58 and name   HN) (segid "    " and resid   58 and name  HB1) 2.457 0.755 0.755 weight 1.000 ! spec=SH3CFn15noe, no=561, id=1493, vol=1.580000e+09
assign (segid "    " and resid   58 and name   HN) (segid "    " and resid   59 and name   HN) 2.838 1.007 1.007 weight 1.000 ! spec=SH3CFn15noe, no=562, id=1494, vol=6.660000e+08
assign (segid "    " and resid   59 and name   HN) (segid "    " and resid   60 and name   HN) 2.658 0.883 0.883 weight 1.000 ! spec=SH3CFn15noe, no=563, id=1495, vol=9.870000e+08
assign (segid "    " and resid   59 and name   HN) (segid "    " and resid   59 and name  HD1) 2.747 0.943 0.943 weight 1.000 ! spec=SH3CFn15noe, no=564, id=1496, vol=8.100000e+08
assign (segid "    " and resid   59 and name   HN) (segid "    " and resid   59 and name  HE1) 3.526 1.554 1.554 weight 1.000 ! spec=SH3CFn15noe, no=565, id=1497, vol=1.810000e+08
assign (segid "    " and resid   59 and name   HN) (segid "    " and resid   59 and name   HA) 2.338 0.683 0.683 weight 1.000 ! spec=SH3CFn15noe, no=566, id=1498, vol=2.130000e+09
assign (segid "    " and resid   59 and name   HN) (segid "    " and resid   58 and name   HA) 6.960 6.056 6.056 weight 1.000 ! spec=SH3CFn15noe, no=567, id=1499, vol=3.060000e+06
assign (segid "    " and resid   59 and name   HN) (segid "    " and resid   59 and name  HB2) 2.822 0.995 0.995 weight 1.000 ! spec=SH3CFn15noe, no=568, id=1500, vol=6.890000e+08
assign (segid "    " and resid   59 and name   HN) (segid "    " and resid   59 and name  HB1) 2.681 0.899 0.899 weight 1.000 ! spec=SH3CFn15noe, no=569, id=1501, vol=9.360000e+08
assign (segid "    " and resid   59 and name   HN) (segid "    " and resid   60 and name HG22) 3.451 1.489 1.489 weight 1.000 ! spec=SH3CFn15noe, no=570, id=1502, vol=2.060000e+08
assign (segid "    " and resid   59 and name   HN) (segid "    " and resid   60 and name HG12) 3.849 1.852 1.852 weight 1.000 ! spec=SH3CFn15noe, no=571, id=1503, vol=1.070000e+08
assign (segid "    " and resid   59 and name   HN) (segid "    " and resid   25 and name HD12) 4.882 2.979 2.979 weight 1.000 ! spec=SH3CFn15noe, no=572, id=1504, vol=2.570000e+07
    or (segid "    " and resid   59 and name   HN) (segid "    " and resid   25 and name HD11)
    or (segid "    " and resid   59 and name   HN) (segid "    " and resid   25 and name HD13)
assign (segid "    " and resid   60 and name   HN) (segid "    " and resid   60 and name   HA) 3.100 1.201 1.201 weight 1.000 ! spec=SH3CFn15noe, no=573, id=1505, vol=3.920000e+08
assign (segid "    " and resid   60 and name   HN) (segid "    " and resid   59 and name   HA) 2.713 0.920 0.920 weight 1.000 ! spec=SH3CFn15noe, no=574, id=1506, vol=8.730000e+08
assign (segid "    " and resid   60 and name   HN) (segid "    " and resid   59 and name  HB1) 3.042 1.157 1.157 weight 1.000 ! spec=SH3CFn15noe, no=577, id=1509, vol=4.390000e+08
assign (segid "    " and resid   60 and name   HN) (segid "    " and resid   59 and name  HB2) 3.874 1.876 1.876 weight 1.000 ! spec=SH3CFn15noe, no=578, id=1510, vol=1.030000e+08
assign (segid "    " and resid   60 and name   HN) (segid "    " and resid   60 and name   HB) 3.232 1.306 1.306 weight 1.000 ! spec=SH3CFn15noe, no=579, id=1511, vol=3.050000e+08
assign (segid "    " and resid   60 and name   HN) (segid "    " and resid   60 and name HG22) 2.460 0.756 0.756 weight 1.000 ! spec=SH3CFn15noe, no=580, id=1512, vol=1.570000e+09
assign (segid "    " and resid   60 and name   HN) (segid "    " and resid   60 and name HG12) 3.144 1.236 1.236 weight 1.000 ! spec=SH3CFn15noe, no=581, id=1513, vol=3.600000e+08
assign (segid "    " and resid   60 and name   HN) (segid "    " and resid   12 and name   HN) 3.939 1.939 1.939 weight 1.000 ! spec=SH3CFn15noe, no=582, id=1514, vol=9.320000e+07
assign (segid "    " and resid   61 and name   HN) (segid "    " and resid   61 and name  HB1) 2.721 0.926 0.926 weight 1.000 ! spec=SH3CFn15noe, no=583, id=1515, vol=8.570000e+08
assign (segid "    " and resid   61 and name   HN) (segid "    " and resid   60 and name   HB) 2.775 0.963 0.963 weight 1.000 ! spec=SH3CFn15noe, no=584, id=1516, vol=7.620000e+08
assign (segid "    " and resid   61 and name   HN) (segid "    " and resid    9 and name  HB1) 3.068 1.177 1.177 weight 1.000 ! spec=SH3CFn15noe, no=585, id=1517, vol=4.170000e+08
assign (segid "    " and resid   61 and name   HN) (segid "    " and resid   11 and name   HA) 3.047 1.160 1.160 weight 1.000 ! spec=SH3CFn15noe, no=586, id=1518, vol=4.350000e+08
assign (segid "    " and resid   61 and name   HN) (segid "    " and resid    9 and name   HA) 3.118 1.215 1.215 weight 1.000 ! spec=SH3CFn15noe, no=587, id=1519, vol=3.790000e+08
assign (segid "    " and resid   61 and name   HN) (segid "    " and resid   61 and name   HA) 2.919 1.065 1.065 weight 1.000 ! spec=SH3CFn15noe, no=588, id=1520, vol=5.620000e+08
assign (segid "    " and resid   61 and name   HN) (segid "    " and resid    9 and name  HD1) 3.685 1.697 1.697 weight 1.000 ! spec=SH3CFn15noe, no=590, id=1522, vol=1.390000e+08
assign (segid "    " and resid   12 and name   HN) (segid "    " and resid   61 and name   HN) 3.129 1.224 1.224 weight 1.000 ! spec=SH3CFn15noe, no=591, id=1523, vol=3.710000e+08
assign (segid "    " and resid   10 and name   HN) (segid "    " and resid   61 and name   HN) 2.990 1.117 1.117 weight 1.000 ! spec=SH3CFn15noe, no=592, id=1524, vol=4.870000e+08
assign (segid "    " and resid   61 and name   HN) (segid "    " and resid   60 and name HG12) 2.977 1.108 1.108 weight 1.000 ! spec=SH3CFn15noe, no=593, id=1525, vol=5.000000e+08
assign (segid "    " and resid   63 and name   HN) (segid "    " and resid   63 and name  HB2) 2.789 0.972 0.972 weight 1.000 ! spec=SH3CFn15noe, no=595, id=1527, vol=7.400000e+08
assign (segid "    " and resid   64 and name   HN) (segid "    " and resid   64 and name  HD1) 2.471 0.763 0.763 weight 1.000 ! spec=SH3CFn15noe, no=596, id=1528, vol=1.530000e+09
assign (segid "    " and resid   64 and name   HN) (segid "    " and resid    9 and name   HA) 4.988 3.110 3.110 weight 1.000 ! spec=SH3CFn15noe, no=597, id=1529, vol=2.260000e+07
assign (segid "    " and resid   64 and name   HN) (segid "    " and resid   64 and name   HA) 2.876 1.034 1.034 weight 1.000 ! spec=SH3CFn15noe, no=598, id=1530, vol=6.150000e+08
assign (segid "    " and resid   64 and name   HN) (segid "    " and resid   64 and name  HB1) 3.118 1.215 1.215 weight 1.000 ! spec=SH3CFn15noe, no=600, id=1532, vol=3.790000e+08
assign (segid "    " and resid   64 and name   HN) (segid "    " and resid   64 and name  HB2) 2.753 0.947 0.947 weight 1.000 ! spec=SH3CFn15noe, no=601, id=1533, vol=8.000000e+08
assign (segid "    " and resid   64 and name   HN) (segid "    " and resid   63 and name  HB2) 2.848 1.014 1.014 weight 1.000 ! spec=SH3CFn15noe, no=602, id=1534, vol=6.520000e+08
assign (segid "    " and resid   64 and name   HN) (segid "    " and resid   63 and name  HB1) 3.348 1.401 1.401 weight 1.000 ! spec=SH3CFn15noe, no=603, id=1535, vol=2.470000e+08
assign (segid "    " and resid   64 and name   HN) (segid "    " and resid   63 and name HD12) 3.222 1.298 1.298 weight 1.000 ! spec=SH3CFn15noe, no=604, id=1536, vol=3.110000e+08
assign (segid "    " and resid   64 and name   HN) (segid "    " and resid   63 and name   HG) 4.439 2.463 2.463 weight 1.000 ! spec=SH3CFn15noe, no=605, id=1537, vol=4.550000e+07
assign (segid "    " and resid   65 and name   HN) (segid "    " and resid   64 and name   HA) 2.595 0.842 0.842 weight 1.000 ! spec=SH3CFn15noe, no=607, id=1538, vol=1.140000e+09
assign (segid "    " and resid   65 and name   HN) (segid "    " and resid   65 and name   HA) 2.919 1.065 1.065 weight 1.000 ! spec=SH3CFn15noe, no=608, id=1539, vol=5.630000e+08
assign (segid "    " and resid   65 and name   HN) (segid "    " and resid   64 and name  HB2) 2.697 0.909 0.909 weight 1.000 ! spec=SH3CFn15noe, no=609, id=1540, vol=9.050000e+08
assign (segid "    " and resid   65 and name   HN) (segid "    " and resid   65 and name  HB2) 2.685 0.901 0.901 weight 1.000 ! spec=SH3CFn15noe, no=610, id=1541, vol=9.280000e+08
assign (segid "    " and resid   19 and name   HN) (segid "    " and resid   19 and name HD22) 3.893 1.894 1.894 weight 1.000 ! spec=SH3CFn15noe, no=612, id=1542, vol=1.000000e+08
assign (segid "    " and resid   15 and name   HN) (segid "    " and resid   16 and name HD12) 4.527 2.562 2.562 weight 1.000 ! spec=SH3CFn15noe, no=613, id=1543, vol=4.040000e+07
assign (segid "    " and resid   25 and name   HN) (segid "    " and resid   24 and name  HG1) 3.581 1.603 1.603 weight 1.000 ! spec=SH3CFn15noe, no=614, id=1544, vol=1.650000e+08

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLN   1           H1       GLN   1 -15.645   1.767  -4.434
    2    H2   GLN   1           H2       GLN   1 -14.236   1.899  -5.370
    3    H3   GLN   1           H3       GLN   1 -14.268   0.867  -4.027
    4    HA   GLN   1           HA       GLN   1 -15.792  -0.590  -5.049
    5    HB2  GLN   1           HB2      GLN   1 -17.102   1.161  -6.199
    6    HB3  GLN   1           HB3      GLN   1 -15.792   1.383  -7.345
    7    HG2  GLN   1           HG2      GLN   1 -17.733   0.037  -8.173
    8    HG3  GLN   1           HG3      GLN   1 -16.159  -0.741  -8.325
    9   HE21  GLN   1          HE22      GLN   1 -15.747  -2.591  -7.204
   10   HE22  GLN   1          HE21      GLN   1 -16.948  -3.453  -6.301
   11    H    THR   2           H        THR   2 -13.545  -1.347  -4.610
   12    HA   THR   2           HA       THR   2 -11.796  -1.528  -6.928
   13    HB   THR   2           HB       THR   2 -10.447  -3.029  -5.379
   14    HG1  THR   2           HG1      THR   2 -11.116  -2.661  -3.083
   15   HG21  THR   2          HG21      THR   2  -9.618  -1.171  -4.010
   16   HG22  THR   2          HG22      THR   2 -11.064  -0.236  -4.403
   17   HG23  THR   2          HG23      THR   2  -9.914  -0.659  -5.673
   18    H    SER   3           H        SER   3 -13.897  -3.511  -4.974
   19    HA   SER   3           HA       SER   3 -14.612  -5.204  -7.155
   20    HB2  SER   3           HB2      SER   3 -12.423  -6.211  -6.348
   21    HB3  SER   3           HB3      SER   3 -13.227  -6.526  -4.811
   22    HG   SER   3           HG       SER   3 -13.223  -8.047  -6.956
   23    H    GLN   4           H        GLN   4 -14.374  -5.527  -3.685
   24    HA   GLN   4           HA       GLN   4 -16.684  -4.250  -2.936
   25    HB2  GLN   4           HB2      GLN   4 -17.993  -5.968  -4.053
   26    HB3  GLN   4           HB3      GLN   4 -17.110  -7.235  -3.209
   27    HG2  GLN   4           HG2      GLN   4 -18.015  -6.521  -1.103
   28    HG3  GLN   4           HG3      GLN   4 -18.840  -5.165  -1.876
   29   HE21  GLN   4          HE22      GLN   4 -19.850  -7.419  -0.303
   30   HE22  GLN   4          HE21      GLN   4 -21.030  -8.209  -1.306
   31    H    ASP   5           H        ASP   5 -16.306  -7.401  -1.566
   32    HA   ASP   5           HA       ASP   5 -14.603  -6.293   0.569
   33    HB2  ASP   5           HB2      ASP   5 -16.345  -8.763   0.719
   34    HB3  ASP   5           HB3      ASP   5 -15.489  -7.997   2.048
   35    H    LEU   6           H        LEU   6 -13.038  -6.739  -1.310
   36    HA   LEU   6           HA       LEU   6 -12.480  -9.495  -1.897
   37    HB2  LEU   6           HB2      LEU   6 -12.227  -7.739  -3.604
   38    HB3  LEU   6           HB3      LEU   6 -10.955  -7.000  -2.647
   39    HG   LEU   6           HG       LEU   6  -9.554  -8.998  -2.957
   40   HD11  LEU   6          HD11      LEU   6 -10.232 -10.713  -4.574
   41   HD12  LEU   6          HD12      LEU   6 -11.819  -9.954  -4.702
   42   HD13  LEU   6          HD13      LEU   6 -11.305 -10.672  -3.174
   43   HD21  LEU   6          HD21      LEU   6  -9.373  -7.134  -4.520
   44   HD22  LEU   6          HD22      LEU   6 -10.629  -7.853  -5.527
   45   HD23  LEU   6          HD23      LEU   6  -9.081  -8.675  -5.328
   46    H    PHE   7           H        PHE   7 -10.161  -6.994  -0.888
   47    HA   PHE   7           HA       PHE   7  -9.372  -8.507   1.423
   48    HB2  PHE   7           HB2      PHE   7  -8.074  -9.093  -1.004
   49    HB3  PHE   7           HB3      PHE   7  -6.953  -8.068  -0.105
   50    HD1  PHE   7           HD2      PHE   7  -6.561  -8.742   2.382
   51    HD2  PHE   7           HD1      PHE   7  -8.153 -11.358  -0.572
   52    HE1  PHE   7           HE2      PHE   7  -5.906 -10.680   3.751
   53    HE2  PHE   7           HE1      PHE   7  -7.508 -13.300   0.797
   54    HZ   PHE   7           HZ       PHE   7  -6.380 -12.961   2.959
   55    H    SER   8           H        SER   8  -8.790  -7.104   2.935
   56    HA   SER   8           HA       SER   8  -7.827  -4.468   2.067
   57    HB2  SER   8           HB2      SER   8 -10.159  -4.449   2.982
   58    HB3  SER   8           HB3      SER   8  -9.524  -5.050   4.509
   59    HG   SER   8           HG       SER   8  -9.409  -2.544   3.368
   60    H    TYR   9           H        TYR   9  -6.039  -3.677   3.079
   61    HA   TYR   9           HA       TYR   9  -4.955  -5.287   5.300
   62    HB2  TYR   9           HB2      TYR   9  -3.367  -3.812   3.185
   63    HB3  TYR   9           HB3      TYR   9  -2.692  -4.675   4.556
   64    HD1  TYR   9           HD2      TYR   9  -4.423  -7.133   4.468
   65    HD2  TYR   9           HD1      TYR   9  -2.432  -4.971   1.403
   66    HE1  TYR   9           HE2      TYR   9  -4.313  -9.175   3.109
   67    HE2  TYR   9           HE1      TYR   9  -2.328  -7.004   0.025
   68    HH   TYR   9           HH       TYR   9  -3.883 -10.004   1.078
   69    H    GLN  10           H        GLN  10  -3.785  -4.169   6.885
   70    HA   GLN  10           HA       GLN  10  -4.310  -1.278   6.968
   71    HB2  GLN  10           HB2      GLN  10  -5.250  -2.331   8.889
   72    HB3  GLN  10           HB3      GLN  10  -3.804  -3.297   9.150
   73    HG2  GLN  10           HG2      GLN  10  -2.569  -1.425   9.883
   74    HG3  GLN  10           HG3      GLN  10  -3.812  -0.309   9.334
   75   HE21  GLN  10          HE22      GLN  10  -5.985  -1.955  10.357
   76   HE22  GLN  10          HE21      GLN  10  -5.978  -1.764  12.076
   77    H    ALA  11           H        ALA  11  -2.642   0.125   7.183
   78    HA   ALA  11           HA       ALA  11  -0.087  -0.818   6.313
   79    HB1  ALA  11           HB1      ALA  11   0.541   1.576   6.450
   80    HB2  ALA  11           HB2      ALA  11  -1.054   1.899   7.137
   81    HB3  ALA  11           HB3      ALA  11  -0.912   1.275   5.495
   82    H    LEU  12           H        LEU  12   1.635  -1.269   7.428
   83    HA   LEU  12           HA       LEU  12   1.650  -1.154  10.323
   84    HB2  LEU  12           HB2      LEU  12   3.625  -2.147   8.273
   85    HB3  LEU  12           HB3      LEU  12   3.919  -2.209   9.997
   86    HG   LEU  12           HG       LEU  12   1.391  -3.439   9.268
   87   HD11  LEU  12          HD11      LEU  12   3.931  -4.483   8.044
   88   HD12  LEU  12          HD12      LEU  12   2.442  -4.008   7.217
   89   HD13  LEU  12          HD13      LEU  12   2.463  -5.440   8.247
   90   HD21  LEU  12          HD21      LEU  12   3.866  -4.440  10.670
   91   HD22  LEU  12          HD22      LEU  12   2.289  -5.234  10.656
   92   HD23  LEU  12          HD23      LEU  12   2.481  -3.665  11.441
   93    H    TYR  13           H        TYR  13   2.947   0.626   7.652
   94    HA   TYR  13           HA       TYR  13   4.474   2.352   9.474
   95    HB2  TYR  13           HB2      TYR  13   5.528   1.377   6.804
   96    HB3  TYR  13           HB3      TYR  13   6.358   2.427   7.939
   97    HD1  TYR  13           HD1      TYR  13   5.297  -1.023   7.261
   98    HD2  TYR  13           HD2      TYR  13   7.533   1.525   9.827
   99    HE1  TYR  13           HE1      TYR  13   6.424  -2.985   8.214
  100    HE2  TYR  13           HE2      TYR  13   8.661  -0.433  10.795
  101    HH   TYR  13           HH       TYR  13   8.442  -2.768  11.027
  102    H    SER  14           H        SER  14   5.166   4.375   8.346
  103    HA   SER  14           HA       SER  14   3.185   5.240   6.370
  104    HB2  SER  14           HB2      SER  14   4.217   7.523   6.846
  105    HB3  SER  14           HB3      SER  14   3.362   6.773   8.196
  106    HG   SER  14           HG       SER  14   6.159   6.513   7.805
  107    H    TYR  15           H        TYR  15   3.756   5.169   4.295
  108    HA   TYR  15           HA       TYR  15   6.640   5.109   3.652
  109    HB2  TYR  15           HB2      TYR  15   5.731   2.946   3.197
  110    HB3  TYR  15           HB3      TYR  15   4.335   3.634   2.392
  111    HD1  TYR  15           HD2      TYR  15   7.996   3.111   2.053
  112    HD2  TYR  15           HD1      TYR  15   4.350   4.083   0.108
  113    HE1  TYR  15           HE2      TYR  15   9.098   2.856  -0.137
  114    HE2  TYR  15           HE1      TYR  15   5.428   3.818  -2.079
  115    HH   TYR  15           HH       TYR  15   7.431   3.668  -3.135
  116    H    ILE  16           H        ILE  16   7.395   6.305   2.037
  117    HA   ILE  16           HA       ILE  16   5.589   8.324   0.929
  118    HB   ILE  16           HB       ILE  16   8.600   8.316   1.186
  119   HG12  ILE  16          HG12      ILE  16   7.478   8.665   3.318
  120   HG13  ILE  16          HG13      ILE  16   8.226  10.166   2.781
  121   HG21  ILE  16          HG21      ILE  16   6.797  10.490   0.124
  122   HG22  ILE  16          HG22      ILE  16   7.880   9.494  -0.842
  123   HG23  ILE  16          HG23      ILE  16   8.541  10.608   0.352
  124   HD11  ILE  16          HD11      ILE  16   6.048  10.967   2.012
  125   HD12  ILE  16          HD12      ILE  16   6.032  10.570   3.730
  126   HD13  ILE  16          HD13      ILE  16   5.307   9.465   2.564
  127    HA   PRO  17           HA       PRO  17   5.794   5.640  -2.678
  128    HB2  PRO  17           HB3      PRO  17   4.266   7.948  -3.775
  129    HB3  PRO  17           HB2      PRO  17   3.888   6.221  -3.822
  130    HG2  PRO  17           HG2      PRO  17   2.580   7.818  -2.167
  131    HG3  PRO  17           HG3      PRO  17   3.096   6.204  -1.630
  132    HD2  PRO  17           HD2      PRO  17   4.315   8.879  -1.049
  133    HD3  PRO  17           HD3      PRO  17   4.062   7.495   0.035
  134    H    GLN  18           H        GLN  18   6.967   5.577  -4.504
  135    HA   GLN  18           HA       GLN  18   8.968   7.621  -4.865
  136    HB2  GLN  18           HB2      GLN  18   8.416   5.158  -6.533
  137    HB3  GLN  18           HB3      GLN  18   9.885   6.123  -6.548
  138    HG2  GLN  18           HG2      GLN  18   8.887   4.603  -4.151
  139    HG3  GLN  18           HG3      GLN  18  10.063   3.982  -5.303
  140   HE21  GLN  18          HE22      GLN  18  11.655   3.788  -3.764
  141   HE22  GLN  18          HE21      GLN  18  12.464   5.155  -3.072
  142    H    ASN  19           H        ASN  19   5.911   6.878  -6.127
  143    HA   ASN  19           HA       ASN  19   6.108   9.051  -8.051
  144    HB2  ASN  19           HB2      ASN  19   4.822   7.575  -9.722
  145    HB3  ASN  19           HB3      ASN  19   6.539   7.317  -9.554
  146   HD21  ASN  19          HD22      ASN  19   7.310   5.453  -8.627
  147   HD22  ASN  19          HD21      ASN  19   6.307   4.072  -8.345
  148    H    ASP  20           H        ASP  20   3.999   9.716  -8.867
  149    HA   ASP  20           HA       ASP  20   2.046   9.767  -6.767
  150    HB2  ASP  20           HB2      ASP  20   0.756  11.208  -8.252
  151    HB3  ASP  20           HB3      ASP  20   2.440  11.717  -8.241
  152    H    ASP  21           H        ASP  21   2.752   7.624  -9.214
  153    HA   ASP  21           HA       ASP  21   0.066   6.628  -9.586
  154    HB2  ASP  21           HB2      ASP  21   1.839   6.524 -11.373
  155    HB3  ASP  21           HB3      ASP  21   2.678   5.330 -10.387
  156    H    GLU  22           H        GLU  22   2.659   6.254  -7.385
  157    HA   GLU  22           HA       GLU  22   1.596   3.767  -6.300
  158    HB2  GLU  22           HB2      GLU  22   3.878   5.557  -5.547
  159    HB3  GLU  22           HB3      GLU  22   3.289   4.361  -4.413
  160    HG2  GLU  22           HG2      GLU  22   3.842   2.578  -5.864
  161    HG3  GLU  22           HG3      GLU  22   4.179   3.680  -7.197
  162    H    LEU  23           H        LEU  23   1.099   3.649  -3.994
  163    HA   LEU  23           HA       LEU  23  -0.833   5.772  -3.385
  164    HB2  LEU  23           HB2      LEU  23  -1.439   3.262  -3.736
  165    HB3  LEU  23           HB3      LEU  23  -0.784   3.038  -2.129
  166    HG   LEU  23           HG       LEU  23  -3.310   3.295  -2.322
  167   HD11  LEU  23          HD11      LEU  23  -3.483   4.630  -0.295
  168   HD12  LEU  23          HD12      LEU  23  -1.825   5.191  -0.515
  169   HD13  LEU  23          HD13      LEU  23  -2.145   3.484  -0.197
  170   HD21  LEU  23          HD21      LEU  23  -3.311   5.101  -3.945
  171   HD22  LEU  23          HD22      LEU  23  -2.516   6.161  -2.783
  172   HD23  LEU  23          HD23      LEU  23  -4.157   5.585  -2.472
  173    H    GLU  24           H        GLU  24  -0.802   6.854  -1.494
  174    HA   GLU  24           HA       GLU  24   1.629   6.780   0.016
  175    HB2  GLU  24           HB2      GLU  24  -0.624   8.579  -0.297
  176    HB3  GLU  24           HB3      GLU  24  -0.145   8.416   1.390
  177    HG2  GLU  24           HG2      GLU  24   2.169   8.936   0.740
  178    HG3  GLU  24           HG3      GLU  24   1.615   9.200  -0.915
  179    H    LEU  25           H        LEU  25   1.997   5.383   1.520
  180    HA   LEU  25           HA       LEU  25  -0.227   4.222   3.016
  181    HB2  LEU  25           HB2      LEU  25   2.682   3.451   3.070
  182    HB3  LEU  25           HB3      LEU  25   1.352   2.560   3.777
  183    HG   LEU  25           HG       LEU  25   1.667   3.036   0.818
  184   HD11  LEU  25          HD11      LEU  25   2.366   0.630   2.487
  185   HD12  LEU  25          HD12      LEU  25   3.484   1.666   1.596
  186   HD13  LEU  25          HD13      LEU  25   2.321   0.666   0.722
  187   HD21  LEU  25          HD21      LEU  25  -0.011   1.192   0.700
  188   HD22  LEU  25          HD22      LEU  25  -0.623   2.686   1.414
  189   HD23  LEU  25          HD23      LEU  25  -0.199   1.325   2.448
  190    H    ARG  26           H        ARG  26  -0.513   4.603   5.127
  191    HA   ARG  26           HA       ARG  26   1.519   6.152   6.551
  192    HB2  ARG  26           HB2      ARG  26  -1.445   6.787   6.428
  193    HB3  ARG  26           HB3      ARG  26  -0.303   7.552   7.530
  194    HG2  ARG  26           HG2      ARG  26   0.868   8.581   5.751
  195    HG3  ARG  26           HG3      ARG  26   0.023   7.609   4.544
  196    HD2  ARG  26           HD2      ARG  26  -2.097   8.715   5.298
  197    HD3  ARG  26           HD3      ARG  26  -1.102   9.806   6.265
  198    HE   ARG  26           HE       ARG  26  -0.025   9.965   3.765
  199   HH11  ARG  26          HH11      ARG  26  -3.216  10.513   5.093
  200   HH12  ARG  26          HH12      ARG  26  -3.675  11.638   3.858
  201   HH21  ARG  26          HH22      ARG  26  -0.608  11.432   2.144
  202   HH22  ARG  26          HH21      ARG  26  -2.199  12.154   2.160
  203    H    ASP  27           H        ASP  27   1.682   5.694   8.698
  204    HA   ASP  27           HA       ASP  27   1.183   3.094   9.478
  205    HB2  ASP  27           HB2      ASP  27   2.910   4.292  10.571
  206    HB3  ASP  27           HB3      ASP  27   1.811   5.555  11.096
  207    H    GLY  28           H        GLY  28  -0.736   2.186   9.611
  208    HA2  GLY  28           HA2      GLY  28  -2.574   1.651  11.009
  209    HA3  GLY  28           HA3      GLY  28  -2.675   3.336  11.493
  210    H    ASP  29           H        ASP  29  -2.275   3.561   8.286
  211    HA   ASP  29           HA       ASP  29  -5.084   4.013   7.797
  212    HB2  ASP  29           HB2      ASP  29  -2.968   5.255   6.813
  213    HB3  ASP  29           HB3      ASP  29  -3.036   3.975   5.608
  214    H    ILE  30           H        ILE  30  -6.342   2.916   6.182
  215    HA   ILE  30           HA       ILE  30  -5.477   0.131   5.819
  216    HB   ILE  30           HB       ILE  30  -8.246   1.314   6.017
  217   HG12  ILE  30          HG12      ILE  30  -8.316  -0.583   7.790
  218   HG13  ILE  30          HG13      ILE  30  -6.565  -0.525   7.671
  219   HG21  ILE  30          HG21      ILE  30  -7.516  -1.532   5.341
  220   HG22  ILE  30          HG22      ILE  30  -8.253  -0.377   4.235
  221   HG23  ILE  30          HG23      ILE  30  -9.140  -0.928   5.655
  222   HD11  ILE  30          HD11      ILE  30  -7.349   0.794   9.536
  223   HD12  ILE  30          HD12      ILE  30  -8.375   1.744   8.463
  224   HD13  ILE  30          HD13      ILE  30  -6.623   1.834   8.315
  225    H    VAL  31           H        VAL  31  -5.440  -0.787   3.862
  226    HA   VAL  31           HA       VAL  31  -6.400   0.793   1.570
  227    HB   VAL  31           HB       VAL  31  -3.708  -0.552   1.803
  228   HG11  VAL  31          HG11      VAL  31  -3.387  -0.048  -0.581
  229   HG12  VAL  31          HG12      VAL  31  -5.069   0.469  -0.691
  230   HG13  VAL  31          HG13      VAL  31  -4.685  -1.212  -0.331
  231   HG21  VAL  31          HG21      VAL  31  -2.861   1.625   1.172
  232   HG22  VAL  31          HG22      VAL  31  -3.911   1.781   2.579
  233   HG23  VAL  31          HG23      VAL  31  -4.507   2.232   0.978
  234    H    ASP  32           H        ASP  32  -7.736  -0.290   0.316
  235    HA   ASP  32           HA       ASP  32  -8.026  -3.168   0.608
  236    HB2  ASP  32           HB2      ASP  32  -9.531  -1.259  -1.184
  237    HB3  ASP  32           HB3      ASP  32  -9.977  -2.923  -0.832
  238    H    VAL  33           H        VAL  33  -6.880  -4.509  -0.613
  239    HA   VAL  33           HA       VAL  33  -5.609  -3.506  -3.039
  240    HB   VAL  33           HB       VAL  33  -4.125  -4.681  -1.567
  241   HG11  VAL  33          HG11      VAL  33  -6.218  -6.816  -1.549
  242   HG12  VAL  33          HG12      VAL  33  -5.429  -6.003  -0.188
  243   HG13  VAL  33          HG13      VAL  33  -4.536  -7.174  -1.157
  244   HG21  VAL  33          HG21      VAL  33  -4.793  -6.525  -3.855
  245   HG22  VAL  33          HG22      VAL  33  -3.250  -6.411  -3.014
  246   HG23  VAL  33          HG23      VAL  33  -3.827  -5.055  -3.987
  247    H    MET  34           H        MET  34  -6.199  -4.012  -5.019
  248    HA   MET  34           HA       MET  34  -8.444  -5.872  -5.354
  249    HB2  MET  34           HB2      MET  34  -8.954  -4.696  -7.413
  250    HB3  MET  34           HB3      MET  34  -8.831  -3.553  -6.080
  251    HG2  MET  34           HG2      MET  34  -6.846  -2.658  -6.850
  252    HG3  MET  34           HG3      MET  34  -6.462  -4.083  -7.809
  253    HE1  MET  34           HE1      MET  34  -8.531  -3.747 -10.982
  254    HE2  MET  34           HE2      MET  34  -8.976  -4.698  -9.561
  255    HE3  MET  34           HE3      MET  34  -7.289  -4.623 -10.082
  256    H    GLU  35           H        GLU  35  -5.210  -5.098  -6.534
  257    HA   GLU  35           HA       GLU  35  -5.222  -7.649  -7.992
  258    HB2  GLU  35           HB2      GLU  35  -5.481  -5.775  -9.579
  259    HB3  GLU  35           HB3      GLU  35  -3.974  -5.087  -8.981
  260    HG2  GLU  35           HG2      GLU  35  -3.540  -6.253 -11.029
  261    HG3  GLU  35           HG3      GLU  35  -2.807  -7.134  -9.691
  262    H    LYS  36           H        LYS  36  -3.281  -8.745  -8.077
  263    HA   LYS  36           HA       LYS  36  -1.326  -7.860  -6.058
  264    HB2  LYS  36           HB2      LYS  36  -2.414 -10.610  -6.623
  265    HB3  LYS  36           HB3      LYS  36  -0.946 -10.351  -5.696
  266    HG2  LYS  36           HG2      LYS  36  -2.203  -9.061  -4.054
  267    HG3  LYS  36           HG3      LYS  36  -3.679  -9.310  -4.991
  268    HD2  LYS  36           HD2      LYS  36  -3.622 -11.657  -4.600
  269    HD3  LYS  36           HD3      LYS  36  -1.999 -11.565  -3.912
  270    HE2  LYS  36           HE2      LYS  36  -4.475 -10.306  -2.739
  271    HE3  LYS  36           HE3      LYS  36  -3.732 -11.806  -2.184
  272    HZ1  LYS  36           HZ1      LYS  36  -2.307  -9.214  -2.252
  273    HZ2  LYS  36           HZ2      LYS  36  -1.798 -10.647  -1.506
  274    HZ3  LYS  36           HZ3      LYS  36  -3.119  -9.787  -0.885
  275    H    CYS  37           H        CYS  37   0.604  -7.445  -6.906
  276    HA   CYS  37           HA       CYS  37   1.526  -8.869  -9.268
  277    HB2  CYS  37           HB2      CYS  37   3.098  -6.959  -7.529
  278    HB3  CYS  37           HB3      CYS  37   3.442  -7.430  -9.191
  279    HG   CYS  37           HG       CYS  37   2.606  -4.879  -9.508
  280    H    ASP  38           H        ASP  38   2.951 -10.552  -9.208
  281    HA   ASP  38           HA       ASP  38   3.252 -11.963  -6.760
  282    HB2  ASP  38           HB2      ASP  38   4.315 -13.650  -8.014
  283    HB3  ASP  38           HB3      ASP  38   3.167 -12.932  -9.138
  284    H    ASP  39           H        ASP  39   4.914  -9.365  -8.046
  285    HA   ASP  39           HA       ASP  39   7.518  -9.997  -7.009
  286    HB2  ASP  39           HB2      ASP  39   7.133  -8.483  -8.965
  287    HB3  ASP  39           HB3      ASP  39   6.424  -7.308  -7.862
  288    H    GLY  40           H        GLY  40   4.584  -8.834  -5.670
  289    HA2  GLY  40           HA2      GLY  40   4.615  -9.176  -3.221
  290    HA3  GLY  40           HA3      GLY  40   6.125  -8.281  -3.202
  291    H    TRP  41           H        TRP  41   5.160  -6.303  -5.136
  292    HA   TRP  41           HA       TRP  41   3.701  -4.638  -3.285
  293    HB2  TRP  41           HB2      TRP  41   4.345  -3.949  -6.150
  294    HB3  TRP  41           HB3      TRP  41   4.067  -2.852  -4.804
  295    HD1  TRP  41           HD1      TRP  41   6.696  -3.143  -6.813
  296    HE1  TRP  41           HE1      TRP  41   9.018  -3.204  -5.709
  297    HE3  TRP  41           HE3      TRP  41   5.337  -4.531  -2.048
  298    HZ2  TRP  41           HZ2      TRP  41  10.124  -3.769  -3.200
  299    HZ3  TRP  41           HZ3      TRP  41   7.111  -4.811  -0.378
  300    HH2  TRP  41           HH2      TRP  41   9.453  -4.438  -0.940
  301    H    PHE  42           H        PHE  42   1.596  -3.770  -3.715
  302    HA   PHE  42           HA       PHE  42   0.023  -5.501  -5.492
  303    HB2  PHE  42           HB2      PHE  42  -0.696  -4.575  -2.705
  304    HB3  PHE  42           HB3      PHE  42  -1.724  -5.518  -3.770
  305    HD1  PHE  42           HD1      PHE  42   0.337  -7.430  -4.843
  306    HD2  PHE  42           HD2      PHE  42  -0.429  -6.024  -0.897
  307    HE1  PHE  42           HE1      PHE  42   1.280  -9.506  -3.924
  308    HE2  PHE  42           HE2      PHE  42   0.522  -8.095   0.027
  309    HZ   PHE  42           HZ       PHE  42   1.378  -9.839  -1.486
  310    H    VAL  43           H        VAL  43  -2.192  -4.575  -5.918
  311    HA   VAL  43           HA       VAL  43  -2.016  -1.645  -6.170
  312    HB   VAL  43           HB       VAL  43  -3.225  -3.728  -7.954
  313   HG11  VAL  43          HG11      VAL  43  -4.094  -0.835  -7.922
  314   HG12  VAL  43          HG12      VAL  43  -5.095  -2.189  -7.399
  315   HG13  VAL  43          HG13      VAL  43  -4.587  -2.066  -9.085
  316   HG21  VAL  43          HG21      VAL  43  -2.181  -2.339  -9.655
  317   HG22  VAL  43          HG22      VAL  43  -1.016  -2.754  -8.390
  318   HG23  VAL  43          HG23      VAL  43  -1.769  -1.155  -8.412
  319    H    GLY  44           H        GLY  44  -3.509  -0.409  -5.225
  320    HA2  GLY  44           HA2      GLY  44  -5.944  -1.563  -4.121
  321    HA3  GLY  44           HA3      GLY  44  -4.707  -1.169  -2.937
  322    H    THR  45           H        THR  45  -6.748   0.120  -2.338
  323    HA   THR  45           HA       THR  45  -6.330   2.846  -3.335
  324    HB   THR  45           HB       THR  45  -8.981   1.537  -2.751
  325    HG1  THR  45           HG1      THR  45  -7.536   2.055  -5.029
  326   HG21  THR  45          HG21      THR  45  -9.942   3.734  -3.498
  327   HG22  THR  45          HG22      THR  45  -8.316   4.408  -3.373
  328   HG23  THR  45          HG23      THR  45  -9.122   3.782  -1.937
  329    H    SER  46           H        SER  46  -6.357   4.404  -1.779
  330    HA   SER  46           HA       SER  46  -5.900   3.530   0.911
  331    HB2  SER  46           HB2      SER  46  -4.618   5.396  -0.013
  332    HB3  SER  46           HB3      SER  46  -6.104   6.310  -0.272
  333    HG   SER  46           HG       SER  46  -4.765   5.713   2.123
  334    H    ARG  47           H        ARG  47  -7.324   3.448   2.535
  335    HA   ARG  47           HA       ARG  47 -10.098   3.875   2.078
  336    HB2  ARG  47           HB2      ARG  47  -9.324   2.156   3.590
  337    HB3  ARG  47           HB3      ARG  47  -8.504   3.346   4.588
  338    HG2  ARG  47           HG2      ARG  47 -10.829   4.351   4.949
  339    HG3  ARG  47           HG3      ARG  47 -11.427   2.811   4.320
  340    HD2  ARG  47           HD2      ARG  47 -10.203   1.606   6.026
  341    HD3  ARG  47           HD3      ARG  47  -9.510   3.114   6.616
  342    HE   ARG  47           HE       ARG  47 -12.346   2.362   6.819
  343   HH11  ARG  47          HH11      ARG  47  -9.583   4.234   7.869
  344   HH12  ARG  47          HH12      ARG  47 -10.385   4.851   9.287
  345   HH21  ARG  47          HH22      ARG  47 -13.407   3.177   8.682
  346   HH22  ARG  47          HH21      ARG  47 -12.555   4.271   9.734
  347    H    ARG  48           H        ARG  48  -7.534   5.824   3.430
  348    HA   ARG  48           HA       ARG  48  -9.351   7.643   4.750
  349    HB2  ARG  48           HB2      ARG  48  -7.128   7.105   5.688
  350    HB3  ARG  48           HB3      ARG  48  -6.371   7.855   4.298
  351    HG2  ARG  48           HG2      ARG  48  -7.314  10.006   4.912
  352    HG3  ARG  48           HG3      ARG  48  -8.123   9.263   6.295
  353    HD2  ARG  48           HD2      ARG  48  -6.084   8.793   7.366
  354    HD3  ARG  48           HD3      ARG  48  -5.159   9.094   5.896
  355    HE   ARG  48           HE       ARG  48  -6.622  11.386   6.850
  356   HH11  ARG  48          HH11      ARG  48  -3.661   9.543   7.247
  357   HH12  ARG  48          HH12      ARG  48  -2.707  10.935   7.696
  358   HH21  ARG  48          HH22      ARG  48  -5.365  13.215   7.415
  359   HH22  ARG  48          HH21      ARG  48  -3.668  13.019   7.760
  360    H    THR  49           H        THR  49  -7.140   7.804   1.968
  361    HA   THR  49           HA       THR  49  -8.344  10.399   1.315
  362    HB   THR  49           HB       THR  49  -6.107  10.843   1.636
  363    HG1  THR  49           HG1      THR  49  -6.604  10.384  -1.104
  364   HG21  THR  49          HG21      THR  49  -4.253   9.453   0.878
  365   HG22  THR  49          HG22      THR  49  -5.399   8.315   0.170
  366   HG23  THR  49          HG23      THR  49  -5.360   8.551   1.918
  367    H    LYS  50           H        LYS  50  -8.428   7.227   0.371
  368    HA   LYS  50           HA       LYS  50  -9.517   6.163  -1.281
  369    HB2  LYS  50           HB2      LYS  50 -10.751   8.854  -1.837
  370    HB3  LYS  50           HB3      LYS  50 -11.366   7.304  -2.381
  371    HG2  LYS  50           HG2      LYS  50 -11.311   8.426   0.395
  372    HG3  LYS  50           HG3      LYS  50 -12.696   7.889  -0.550
  373    HD2  LYS  50           HD2      LYS  50 -10.562   6.178   0.723
  374    HD3  LYS  50           HD3      LYS  50 -12.267   6.268   1.158
  375    HE2  LYS  50           HE2      LYS  50 -11.136   5.205  -1.422
  376    HE3  LYS  50           HE3      LYS  50 -11.779   4.240  -0.096
  377    HZ1  LYS  50           HZ1      LYS  50 -13.944   5.234  -0.450
  378    HZ2  LYS  50           HZ2      LYS  50 -13.393   4.487  -1.870
  379    HZ3  LYS  50           HZ3      LYS  50 -13.339   6.175  -1.727
  380    H    GLN  51           H        GLN  51  -6.942   7.088  -1.946
  381    HA   GLN  51           HA       GLN  51  -7.217   7.762  -4.776
  382    HB2  GLN  51           HB2      GLN  51  -4.565   7.762  -4.455
  383    HB3  GLN  51           HB3      GLN  51  -5.564   9.166  -4.109
  384    HG2  GLN  51           HG2      GLN  51  -5.587   8.544  -1.744
  385    HG3  GLN  51           HG3      GLN  51  -4.548   7.168  -2.112
  386   HE21  GLN  51          HE22      GLN  51  -4.275  10.296  -3.654
  387   HE22  GLN  51          HE21      GLN  51  -2.758  10.727  -2.945
  388    H    PHE  52           H        PHE  52  -6.047   6.533  -6.355
  389    HA   PHE  52           HA       PHE  52  -5.902   3.694  -5.571
  390    HB2  PHE  52           HB2      PHE  52  -7.915   3.987  -6.798
  391    HB3  PHE  52           HB3      PHE  52  -7.123   4.989  -8.003
  392    HD1  PHE  52           HD2      PHE  52  -6.848   1.521  -6.611
  393    HD2  PHE  52           HD1      PHE  52  -6.695   4.054 -10.030
  394    HE1  PHE  52           HE2      PHE  52  -6.540  -0.446  -8.050
  395    HE2  PHE  52           HE1      PHE  52  -6.384   2.089 -11.475
  396    HZ   PHE  52           HZ       PHE  52  -6.305  -0.163 -10.485
  397    H    GLY  53           H        GLY  53  -4.260   2.480  -6.325
  398    HA2  GLY  53           HA2      GLY  53  -2.766   2.810  -8.609
  399    HA3  GLY  53           HA3      GLY  53  -1.939   3.767  -7.385
  400    H    THR  54           H        THR  54  -0.150   2.448  -7.422
  401    HA   THR  54           HA       THR  54  -0.542  -0.278  -6.397
  402    HB   THR  54           HB       THR  54   0.711  -0.352  -8.403
  403    HG1  THR  54           HG1      THR  54   1.931  -0.919  -6.055
  404   HG21  THR  54          HG21      THR  54   2.931   1.011  -8.468
  405   HG22  THR  54          HG22      THR  54   2.114   2.025  -7.275
  406   HG23  THR  54          HG23      THR  54   1.404   1.797  -8.877
  407    H    PHE  55           H        PHE  55   0.384  -0.906  -4.522
  408    HA   PHE  55           HA       PHE  55   2.090   1.004  -3.113
  409    HB2  PHE  55           HB2      PHE  55   0.856   0.808  -1.055
  410    HB3  PHE  55           HB3      PHE  55  -0.271   1.290  -2.314
  411    HD1  PHE  55           HD1      PHE  55  -1.659  -0.565  -3.410
  412    HD2  PHE  55           HD2      PHE  55   0.410  -1.050   0.274
  413    HE1  PHE  55           HE1      PHE  55  -3.106  -2.476  -2.849
  414    HE2  PHE  55           HE2      PHE  55  -1.033  -2.962   0.839
  415    HZ   PHE  55           HZ       PHE  55  -2.792  -3.679  -0.725
  416    HA   PRO  56           HA       PRO  56   4.427  -2.682  -2.298
  417    HB2  PRO  56           HB3      PRO  56   5.411  -1.173   0.041
  418    HB3  PRO  56           HB2      PRO  56   6.310  -1.875  -1.308
  419    HG2  PRO  56           HG2      PRO  56   5.967   0.773  -1.083
  420    HG3  PRO  56           HG3      PRO  56   5.980  -0.029  -2.664
  421    HD2  PRO  56           HD2      PRO  56   3.653   0.961  -1.058
  422    HD3  PRO  56           HD3      PRO  56   3.917   1.019  -2.812
  423    H    GLY  57           H        GLY  57   3.128  -4.275  -1.528
  424    HA2  GLY  57           HA2      GLY  57   1.578  -3.981   0.874
  425    HA3  GLY  57           HA3      GLY  57   1.716  -5.443  -0.089
  426    H    ASN  58           H        ASN  58   4.519  -3.797   1.011
  427    HA   ASN  58           HA       ASN  58   5.195  -5.979   2.832
  428    HB2  ASN  58           HB2      ASN  58   6.750  -5.157   0.971
  429    HB3  ASN  58           HB3      ASN  58   6.946  -3.685   1.921
  430   HD21  ASN  58          HD22      ASN  58   8.177  -3.735   3.788
  431   HD22  ASN  58          HD21      ASN  58   9.150  -5.092   4.232
  432    H    TYR  59           H        TYR  59   3.791  -2.982   2.826
  433    HA   TYR  59           HA       TYR  59   4.624  -2.396   5.597
  434    HB2  TYR  59           HB2      TYR  59   3.539  -0.450   3.546
  435    HB3  TYR  59           HB3      TYR  59   4.085  -0.056   5.168
  436    HD1  TYR  59           HD2      TYR  59   6.566  -0.442   5.701
  437    HD2  TYR  59           HD1      TYR  59   5.008  -0.400   1.745
  438    HE1  TYR  59           HE2      TYR  59   8.819   0.003   4.826
  439    HE2  TYR  59           HE1      TYR  59   7.252   0.047   0.858
  440    HH   TYR  59           HH       TYR  59   9.392   1.024   1.654
  441    H    VAL  60           H        VAL  60   2.429  -4.145   4.516
  442    HA   VAL  60           HA       VAL  60   0.265  -2.912   6.029
  443    HB   VAL  60           HB       VAL  60  -1.423  -3.590   4.308
  444   HG11  VAL  60          HG11      VAL  60   0.594  -1.614   3.247
  445   HG12  VAL  60          HG12      VAL  60  -0.550  -1.249   4.540
  446   HG13  VAL  60          HG13      VAL  60  -1.141  -1.653   2.920
  447   HG21  VAL  60          HG21      VAL  60   1.047  -4.089   2.662
  448   HG22  VAL  60          HG22      VAL  60  -0.565  -3.883   1.976
  449   HG23  VAL  60          HG23      VAL  60  -0.237  -5.226   3.068
  450    H    LYS  61           H        LYS  61  -1.356  -4.416   6.691
  451    HA   LYS  61           HA       LYS  61  -0.342  -7.178   6.894
  452    HB2  LYS  61           HB2      LYS  61  -1.749  -6.890   9.203
  453    HB3  LYS  61           HB3      LYS  61  -0.011  -6.678   9.068
  454    HG2  LYS  61           HG2      LYS  61  -0.195  -4.338   9.009
  455    HG3  LYS  61           HG3      LYS  61  -1.933  -4.394   8.726
  456    HD2  LYS  61           HD2      LYS  61  -1.453  -3.725  10.995
  457    HD3  LYS  61           HD3      LYS  61  -2.259  -5.292  10.991
  458    HE2  LYS  61           HE2      LYS  61   0.726  -4.947  11.208
  459    HE3  LYS  61           HE3      LYS  61  -0.340  -5.006  12.607
  460    HZ1  LYS  61           HZ1      LYS  61   0.353  -7.168  12.415
  461    HZ2  LYS  61           HZ2      LYS  61   0.363  -7.149  10.718
  462    HZ3  LYS  61           HZ3      LYS  61  -1.111  -7.222  11.556
  463    HA   PRO  62           HA       PRO  62  -4.216  -8.471   5.264
  464    HB2  PRO  62           HB3      PRO  62  -3.783 -10.933   6.826
  465    HB3  PRO  62           HB2      PRO  62  -3.970 -10.727   5.086
  466    HG2  PRO  62           HG2      PRO  62  -1.594 -11.309   6.161
  467    HG3  PRO  62           HG3      PRO  62  -1.737 -10.216   4.773
  468    HD2  PRO  62           HD2      PRO  62  -1.306  -9.561   7.660
  469    HD3  PRO  62           HD3      PRO  62  -0.577  -8.831   6.214
  470    H    LEU  63           H        LEU  63  -6.053  -7.676   6.019
  471    HA   LEU  63           HA       LEU  63  -6.772  -8.049   8.831
  472    HB2  LEU  63           HB2      LEU  63  -8.037  -6.355   6.673
  473    HB3  LEU  63           HB3      LEU  63  -8.541  -6.394   8.348
  474    HG   LEU  63           HG       LEU  63  -5.859  -5.428   7.362
  475   HD11  LEU  63          HD11      LEU  63  -8.149  -3.833   8.490
  476   HD12  LEU  63          HD12      LEU  63  -7.859  -4.038   6.764
  477   HD13  LEU  63          HD13      LEU  63  -6.657  -3.223   7.771
  478   HD21  LEU  63          HD21      LEU  63  -7.105  -5.403  10.112
  479   HD22  LEU  63          HD22      LEU  63  -5.595  -4.606   9.669
  480   HD23  LEU  63          HD23      LEU  63  -5.716  -6.365   9.603
  481    H    TYR  64           H        TYR  64  -9.461  -7.882   8.698
  482    HA   TYR  64           HA       TYR  64 -10.357 -10.150   7.066
  483    HB2  TYR  64           HB2      TYR  64 -10.840  -9.697  10.015
  484    HB3  TYR  64           HB3      TYR  64 -11.860 -10.753   9.046
  485    HD1  TYR  64           HD1      TYR  64  -8.496 -10.311  10.474
  486    HD2  TYR  64           HD2      TYR  64 -11.088 -12.906   8.317
  487    HE1  TYR  64           HE1      TYR  64  -6.921 -12.169  10.830
  488    HE2  TYR  64           HE2      TYR  64  -9.523 -14.768   8.667
  489    HH   TYR  64           HH       TYR  64  -7.268 -15.201   9.183
  490    H    LEU  65           H        LEU  65 -12.843 -10.200   7.037
  491    HA   LEU  65           HA       LEU  65 -14.030  -7.559   7.189
  492    HB2  LEU  65           HB2      LEU  65 -14.787  -7.749   4.764
  493    HB3  LEU  65           HB3      LEU  65 -13.127  -7.274   5.060
  494    HG   LEU  65           HG       LEU  65 -12.759  -9.914   4.776
  495   HD11  LEU  65          HD11      LEU  65 -15.080  -9.300   2.956
  496   HD12  LEU  65          HD12      LEU  65 -15.144 -10.348   4.375
  497   HD13  LEU  65          HD13      LEU  65 -14.134 -10.791   2.997
  498   HD21  LEU  65          HD21      LEU  65 -11.588  -8.158   3.565
  499   HD22  LEU  65          HD22      LEU  65 -12.992  -7.924   2.524
  500   HD23  LEU  65          HD23      LEU  65 -12.100  -9.444   2.472
  Start of MODEL    2
    1    H1   GLN   1           H1       GLN   1 -20.619  -2.845  -9.061
    2    H2   GLN   1           H2       GLN   1 -20.587  -1.249  -8.485
    3    H3   GLN   1           H3       GLN   1 -21.733  -2.346  -7.880
    4    HA   GLN   1           HA       GLN   1 -19.966  -2.001  -6.302
    5    HB2  GLN   1           HB2      GLN   1 -21.050  -4.183  -6.341
    6    HB3  GLN   1           HB3      GLN   1 -19.962  -4.729  -7.612
    7    HG2  GLN   1           HG2      GLN   1 -18.066  -4.465  -6.061
    8    HG3  GLN   1           HG3      GLN   1 -19.197  -4.007  -4.788
    9   HE21  GLN   1          HE22      GLN   1 -17.329  -6.244  -4.946
   10   HE22  GLN   1          HE21      GLN   1 -18.287  -7.679  -4.766
   11    H    THR   2           H        THR   2 -18.078  -0.987  -6.334
   12    HA   THR   2           HA       THR   2 -15.951  -2.005  -8.086
   13    HB   THR   2           HB       THR   2 -15.774   0.490  -6.391
   14    HG1  THR   2           HG1      THR   2 -17.463   0.059  -8.441
   15   HG21  THR   2          HG21      THR   2 -14.203   1.202  -8.143
   16   HG22  THR   2          HG22      THR   2 -14.467  -0.320  -8.995
   17   HG23  THR   2          HG23      THR   2 -13.697  -0.320  -7.409
   18    H    SER   3           H        SER   3 -13.696  -1.535  -6.645
   19    HA   SER   3           HA       SER   3 -13.509  -3.631  -4.871
   20    HB2  SER   3           HB2      SER   3 -11.834  -1.114  -4.837
   21    HB3  SER   3           HB3      SER   3 -11.367  -2.699  -4.220
   22    HG   SER   3           HG       SER   3 -10.506  -2.346  -6.281
   23    H    GLN   4           H        GLN   4 -14.715  -3.883  -3.106
   24    HA   GLN   4           HA       GLN   4 -15.038  -1.615  -1.265
   25    HB2  GLN   4           HB2      GLN   4 -17.161  -2.520  -1.821
   26    HB3  GLN   4           HB3      GLN   4 -16.588  -4.173  -1.651
   27    HG2  GLN   4           HG2      GLN   4 -16.362  -3.834   0.760
   28    HG3  GLN   4           HG3      GLN   4 -17.007  -2.198   0.582
   29   HE21  GLN   4          HE22      GLN   4 -19.191  -1.922   0.143
   30   HE22  GLN   4          HE21      GLN   4 -20.342  -3.205   0.337
   31    H    ASP   5           H        ASP   5 -15.251  -5.003  -0.383
   32    HA   ASP   5           HA       ASP   5 -12.682  -4.804   1.040
   33    HB2  ASP   5           HB2      ASP   5 -15.306  -5.959   1.950
   34    HB3  ASP   5           HB3      ASP   5 -13.788  -6.530   2.624
   35    H    LEU   6           H        LEU   6 -12.079  -5.604  -1.165
   36    HA   LEU   6           HA       LEU   6 -12.787  -8.339  -1.818
   37    HB2  LEU   6           HB2      LEU   6 -12.437  -6.627  -3.573
   38    HB3  LEU   6           HB3      LEU   6 -10.764  -6.472  -3.074
   39    HG   LEU   6           HG       LEU   6 -10.390  -8.842  -3.719
   40   HD11  LEU   6          HD11      LEU   6 -12.072  -9.973  -5.089
   41   HD12  LEU   6          HD12      LEU   6 -13.196  -8.642  -4.810
   42   HD13  LEU   6          HD13      LEU   6 -12.675  -9.653  -3.462
   43   HD21  LEU   6          HD21      LEU   6 -11.484  -7.035  -5.871
   44   HD22  LEU   6          HD22      LEU   6 -10.463  -8.446  -6.144
   45   HD23  LEU   6          HD23      LEU   6  -9.829  -7.058  -5.262
   46    H    PHE   7           H        PHE   7  -9.982  -6.500  -0.786
   47    HA   PHE   7           HA       PHE   7  -9.089  -8.581   0.936
   48    HB2  PHE   7           HB2      PHE   7  -8.202  -8.969  -1.612
   49    HB3  PHE   7           HB3      PHE   7  -6.942  -7.903  -0.992
   50    HD1  PHE   7           HD2      PHE   7  -6.193  -8.622   1.522
   51    HD2  PHE   7           HD1      PHE   7  -7.768 -11.202  -1.474
   52    HE1  PHE   7           HE2      PHE   7  -5.134 -10.548   2.625
   53    HE2  PHE   7           HE1      PHE   7  -6.718 -13.129  -0.368
   54    HZ   PHE   7           HZ       PHE   7  -5.398 -12.802   1.685
   55    H    SER   8           H        SER   8  -8.623  -7.301   2.638
   56    HA   SER   8           HA       SER   8  -7.488  -4.662   1.994
   57    HB2  SER   8           HB2      SER   8  -9.841  -4.626   2.811
   58    HB3  SER   8           HB3      SER   8  -9.290  -5.341   4.326
   59    HG   SER   8           HG       SER   8  -8.221  -2.944   3.284
   60    H    TYR   9           H        TYR   9  -5.830  -3.879   3.117
   61    HA   TYR   9           HA       TYR   9  -4.837  -5.430   5.420
   62    HB2  TYR   9           HB2      TYR   9  -3.110  -3.833   3.521
   63    HB3  TYR   9           HB3      TYR   9  -2.562  -4.863   4.832
   64    HD1  TYR   9           HD2      TYR   9  -4.050  -7.364   4.349
   65    HD2  TYR   9           HD1      TYR   9  -2.249  -4.663   1.626
   66    HE1  TYR   9           HE2      TYR   9  -3.784  -9.195   2.723
   67    HE2  TYR   9           HE1      TYR   9  -1.976  -6.466  -0.017
   68    HH   TYR   9           HH       TYR   9  -1.837  -8.883  -0.071
   69    H    GLN  10           H        GLN  10  -3.789  -4.126   7.040
   70    HA   GLN  10           HA       GLN  10  -4.489  -1.264   6.878
   71    HB2  GLN  10           HB2      GLN  10  -5.462  -2.598   8.778
   72    HB3  GLN  10           HB3      GLN  10  -3.821  -2.843   9.363
   73    HG2  GLN  10           HG2      GLN  10  -3.549  -0.399   9.511
   74    HG3  GLN  10           HG3      GLN  10  -5.232  -0.209   9.030
   75   HE21  GLN  10          HE22      GLN  10  -5.738   0.827  10.969
   76   HE22  GLN  10          HE21      GLN  10  -5.901  -0.050  12.454
   77    H    ALA  11           H        ALA  11  -2.863   0.218   7.051
   78    HA   ALA  11           HA       ALA  11  -0.281  -0.688   6.297
   79    HB1  ALA  11           HB1      ALA  11   0.299   1.705   6.348
   80    HB2  ALA  11           HB2      ALA  11  -1.273   2.036   7.082
   81    HB3  ALA  11           HB3      ALA  11  -1.184   1.378   5.447
   82    H    LEU  12           H        LEU  12   1.537  -0.868   7.378
   83    HA   LEU  12           HA       LEU  12   1.451  -0.906  10.277
   84    HB2  LEU  12           HB2      LEU  12   3.442  -1.795   8.207
   85    HB3  LEU  12           HB3      LEU  12   3.830  -1.791   9.916
   86    HG   LEU  12           HG       LEU  12   1.361  -3.212   9.096
   87   HD11  LEU  12          HD11      LEU  12   4.143  -4.210   8.535
   88   HD12  LEU  12          HD12      LEU  12   2.835  -3.954   7.376
   89   HD13  LEU  12          HD13      LEU  12   2.706  -5.233   8.584
   90   HD21  LEU  12          HD21      LEU  12   3.590  -3.834  11.028
   91   HD22  LEU  12          HD22      LEU  12   2.076  -4.723  10.869
   92   HD23  LEU  12          HD23      LEU  12   2.063  -3.055  11.443
   93    H    TYR  13           H        TYR  13   2.892   0.917   7.670
   94    HA   TYR  13           HA       TYR  13   4.070   2.804   9.572
   95    HB2  TYR  13           HB2      TYR  13   5.679   1.715   7.249
   96    HB3  TYR  13           HB3      TYR  13   6.238   2.776   8.536
   97    HD1  TYR  13           HD2      TYR  13   6.508   1.833  10.863
   98    HD2  TYR  13           HD1      TYR  13   5.705  -0.624   7.484
   99    HE1  TYR  13           HE2      TYR  13   7.244  -0.147  12.129
  100    HE2  TYR  13           HE1      TYR  13   6.439  -2.601   8.737
  101    HH   TYR  13           HH       TYR  13   7.689  -3.245  10.588
  102    H    SER  14           H        SER  14   4.833   4.794   8.407
  103    HA   SER  14           HA       SER  14   2.996   5.422   6.231
  104    HB2  SER  14           HB2      SER  14   4.812   7.218   7.859
  105    HB3  SER  14           HB3      SER  14   3.681   7.768   6.625
  106    HG   SER  14           HG       SER  14   3.213   7.271   9.203
  107    H    TYR  15           H        TYR  15   3.686   5.246   4.189
  108    HA   TYR  15           HA       TYR  15   6.581   5.505   3.653
  109    HB2  TYR  15           HB2      TYR  15   5.841   3.195   3.310
  110    HB3  TYR  15           HB3      TYR  15   4.575   3.744   2.229
  111    HD1  TYR  15           HD2      TYR  15   8.239   3.421   2.608
  112    HD2  TYR  15           HD1      TYR  15   5.009   4.192  -0.044
  113    HE1  TYR  15           HE2      TYR  15   9.768   3.214   0.693
  114    HE2  TYR  15           HE1      TYR  15   6.522   3.982  -1.961
  115    HH   TYR  15           HH       TYR  15   8.947   4.223  -2.421
  116    H    ILE  16           H        ILE  16   7.200   6.928   2.250
  117    HA   ILE  16           HA       ILE  16   5.205   8.495   0.803
  118    HB   ILE  16           HB       ILE  16   8.159   8.953   1.242
  119   HG12  ILE  16          HG12      ILE  16   6.861   9.215   3.281
  120   HG13  ILE  16          HG13      ILE  16   7.416  10.786   2.713
  121   HG21  ILE  16          HG21      ILE  16   6.118  10.744  -0.072
  122   HG22  ILE  16          HG22      ILE  16   7.474   9.939  -0.863
  123   HG23  ILE  16          HG23      ILE  16   7.773  11.203   0.330
  124   HD11  ILE  16          HD11      ILE  16   5.204  11.234   1.790
  125   HD12  ILE  16          HD12      ILE  16   5.128  10.889   3.518
  126   HD13  ILE  16          HD13      ILE  16   4.652   9.655   2.350
  127    HA   PRO  17           HA       PRO  17   6.083   5.810  -2.704
  128    HB2  PRO  17           HB3      PRO  17   4.392   7.861  -4.029
  129    HB3  PRO  17           HB2      PRO  17   4.221   6.103  -4.016
  130    HG2  PRO  17           HG2      PRO  17   2.588   7.629  -2.577
  131    HG3  PRO  17           HG3      PRO  17   3.193   6.089  -1.931
  132    HD2  PRO  17           HD2      PRO  17   4.074   8.883  -1.315
  133    HD3  PRO  17           HD3      PRO  17   3.864   7.499  -0.221
  134    H    GLN  18           H        GLN  18   7.448   5.907  -4.402
  135    HA   GLN  18           HA       GLN  18   8.789   8.479  -4.835
  136    HB2  GLN  18           HB2      GLN  18   9.787   5.671  -5.344
  137    HB3  GLN  18           HB3      GLN  18  10.705   7.143  -5.631
  138    HG2  GLN  18           HG2      GLN  18   9.687   6.223  -2.948
  139    HG3  GLN  18           HG3      GLN  18  11.338   6.019  -3.540
  140   HE21  GLN  18          HE22      GLN  18   8.985   8.251  -2.317
  141   HE22  GLN  18          HE21      GLN  18  10.061   9.586  -2.083
  142    H    ASN  19           H        ASN  19   6.575   6.474  -6.098
  143    HA   ASN  19           HA       ASN  19   7.127   7.325  -8.865
  144    HB2  ASN  19           HB2      ASN  19   5.691   4.873  -7.841
  145    HB3  ASN  19           HB3      ASN  19   5.771   5.338  -9.539
  146   HD21  ASN  19          HD22      ASN  19   7.501   4.086  -6.811
  147   HD22  ASN  19          HD21      ASN  19   8.887   3.523  -7.690
  148    H    ASP  20           H        ASP  20   5.298   7.864 -10.135
  149    HA   ASP  20           HA       ASP  20   3.292   9.330  -8.649
  150    HB2  ASP  20           HB2      ASP  20   4.372  10.237 -10.693
  151    HB3  ASP  20           HB3      ASP  20   3.641   8.945 -11.637
  152    H    ASP  21           H        ASP  21   3.604   6.213  -9.482
  153    HA   ASP  21           HA       ASP  21   0.773   5.749 -10.110
  154    HB2  ASP  21           HB2      ASP  21   2.486   4.887 -11.686
  155    HB3  ASP  21           HB3      ASP  21   3.153   3.915 -10.382
  156    H    GLU  22           H        GLU  22   2.836   5.765  -7.525
  157    HA   GLU  22           HA       GLU  22   1.831   3.332  -6.280
  158    HB2  GLU  22           HB2      GLU  22   3.974   5.292  -5.524
  159    HB3  GLU  22           HB3      GLU  22   3.376   4.113  -4.371
  160    HG2  GLU  22           HG2      GLU  22   4.079   2.306  -5.763
  161    HG3  GLU  22           HG3      GLU  22   4.537   3.409  -7.055
  162    H    LEU  23           H        LEU  23   1.243   3.412  -3.992
  163    HA   LEU  23           HA       LEU  23  -0.736   5.539  -3.565
  164    HB2  LEU  23           HB2      LEU  23  -1.343   3.019  -3.715
  165    HB3  LEU  23           HB3      LEU  23  -0.643   2.902  -2.118
  166    HG   LEU  23           HG       LEU  23  -3.188   3.150  -2.254
  167   HD11  LEU  23          HD11      LEU  23  -1.742   5.202  -0.605
  168   HD12  LEU  23          HD12      LEU  23  -1.849   3.491  -0.206
  169   HD13  LEU  23          HD13      LEU  23  -3.313   4.469  -0.271
  170   HD21  LEU  23          HD21      LEU  23  -3.236   4.868  -3.966
  171   HD22  LEU  23          HD22      LEU  23  -2.395   5.981  -2.887
  172   HD23  LEU  23          HD23      LEU  23  -4.027   5.430  -2.490
  173    H    GLU  24           H        GLU  24  -0.766   6.705  -1.712
  174    HA   GLU  24           HA       GLU  24   1.662   6.837  -0.211
  175    HB2  GLU  24           HB2      GLU  24  -0.713   8.474  -0.570
  176    HB3  GLU  24           HB3      GLU  24  -0.182   8.424   1.106
  177    HG2  GLU  24           HG2      GLU  24   2.103   9.016   0.300
  178    HG3  GLU  24           HG3      GLU  24   1.390   9.291  -1.295
  179    H    LEU  25           H        LEU  25   2.094   5.475   1.337
  180    HA   LEU  25           HA       LEU  25  -0.086   4.185   2.781
  181    HB2  LEU  25           HB2      LEU  25   2.881   3.676   2.913
  182    HB3  LEU  25           HB3      LEU  25   1.638   2.709   3.678
  183    HG   LEU  25           HG       LEU  25   1.927   3.053   0.694
  184   HD11  LEU  25          HD11      LEU  25   2.727   0.758   2.472
  185   HD12  LEU  25          HD12      LEU  25   3.826   1.843   1.618
  186   HD13  LEU  25          HD13      LEU  25   2.769   0.759   0.709
  187   HD21  LEU  25          HD21      LEU  25   0.233   1.171   2.328
  188   HD22  LEU  25          HD22      LEU  25   0.326   1.231   0.568
  189   HD23  LEU  25          HD23      LEU  25  -0.354   2.592   1.463
  190    H    ARG  26           H        ARG  26  -0.600   4.717   4.814
  191    HA   ARG  26           HA       ARG  26   1.312   6.337   6.332
  192    HB2  ARG  26           HB2      ARG  26  -1.652   6.887   6.235
  193    HB3  ARG  26           HB3      ARG  26  -0.430   7.848   7.050
  194    HG2  ARG  26           HG2      ARG  26   0.588   8.346   4.854
  195    HG3  ARG  26           HG3      ARG  26  -0.747   7.491   4.082
  196    HD2  ARG  26           HD2      ARG  26  -2.332   9.055   4.992
  197    HD3  ARG  26           HD3      ARG  26  -1.057   9.854   5.916
  198    HE   ARG  26           HE       ARG  26  -0.275   9.953   3.262
  199   HH11  ARG  26          HH11      ARG  26  -2.911  11.183   5.207
  200   HH12  ARG  26          HH12      ARG  26  -3.217  12.544   4.167
  201   HH21  ARG  26          HH22      ARG  26  -0.637  11.729   1.911
  202   HH22  ARG  26          HH21      ARG  26  -1.918  12.854   2.280
  203    H    ASP  27           H        ASP  27   1.372   5.961   8.454
  204    HA   ASP  27           HA       ASP  27   0.872   3.400   9.343
  205    HB2  ASP  27           HB2      ASP  27   2.525   4.645  10.471
  206    HB3  ASP  27           HB3      ASP  27   1.405   5.950  10.847
  207    H    GLY  28           H        GLY  28  -1.007   2.436   9.515
  208    HA2  GLY  28           HA2      GLY  28  -2.818   1.931  10.952
  209    HA3  GLY  28           HA3      GLY  28  -2.987   3.641  11.311
  210    H    ASP  29           H        ASP  29  -2.617   3.670   8.090
  211    HA   ASP  29           HA       ASP  29  -5.458   3.925   7.644
  212    HB2  ASP  29           HB2      ASP  29  -3.830   5.448   6.544
  213    HB3  ASP  29           HB3      ASP  29  -3.221   4.082   5.614
  214    H    ILE  30           H        ILE  30  -6.681   2.728   6.139
  215    HA   ILE  30           HA       ILE  30  -5.711  -0.022   5.832
  216    HB   ILE  30           HB       ILE  30  -8.469   1.151   5.994
  217   HG12  ILE  30          HG12      ILE  30  -8.593  -0.827   7.669
  218   HG13  ILE  30          HG13      ILE  30  -6.841  -0.802   7.570
  219   HG21  ILE  30          HG21      ILE  30  -7.855  -1.686   5.221
  220   HG22  ILE  30          HG22      ILE  30  -8.421  -0.442   4.110
  221   HG23  ILE  30          HG23      ILE  30  -9.449  -0.966   5.443
  222   HD11  ILE  30          HD11      ILE  30  -7.626   0.453   9.486
  223   HD12  ILE  30          HD12      ILE  30  -8.603   1.479   8.435
  224   HD13  ILE  30          HD13      ILE  30  -6.844   1.519   8.319
  225    H    VAL  31           H        VAL  31  -5.572  -0.963   3.873
  226    HA   VAL  31           HA       VAL  31  -6.464   0.597   1.544
  227    HB   VAL  31           HB       VAL  31  -3.785  -0.752   1.873
  228   HG11  VAL  31          HG11      VAL  31  -3.341  -0.180  -0.460
  229   HG12  VAL  31          HG12      VAL  31  -4.994   0.411  -0.632
  230   HG13  VAL  31          HG13      VAL  31  -4.698  -1.300  -0.329
  231   HG21  VAL  31          HG21      VAL  31  -2.876   1.428   1.405
  232   HG22  VAL  31          HG22      VAL  31  -4.016   1.548   2.746
  233   HG23  VAL  31          HG23      VAL  31  -4.495   2.075   1.130
  234    H    ASP  32           H        ASP  32  -7.807  -0.506   0.332
  235    HA   ASP  32           HA       ASP  32  -7.967  -3.409   0.477
  236    HB2  ASP  32           HB2      ASP  32 -10.055  -2.097   0.332
  237    HB3  ASP  32           HB3      ASP  32  -9.500  -1.413  -1.195
  238    H    VAL  33           H        VAL  33  -6.792  -4.653  -0.803
  239    HA   VAL  33           HA       VAL  33  -5.585  -3.488  -3.194
  240    HB   VAL  33           HB       VAL  33  -3.936  -4.558  -1.906
  241   HG11  VAL  33          HG11      VAL  33  -5.919  -6.761  -1.531
  242   HG12  VAL  33          HG12      VAL  33  -5.015  -5.844  -0.316
  243   HG13  VAL  33          HG13      VAL  33  -4.191  -7.041  -1.315
  244   HG21  VAL  33          HG21      VAL  33  -4.733  -6.597  -3.967
  245   HG22  VAL  33          HG22      VAL  33  -3.115  -6.313  -3.322
  246   HG23  VAL  33          HG23      VAL  33  -3.901  -5.082  -4.313
  247    H    MET  34           H        MET  34  -6.392  -3.829  -5.106
  248    HA   MET  34           HA       MET  34  -8.531  -5.766  -5.430
  249    HB2  MET  34           HB2      MET  34  -9.095  -4.660  -7.453
  250    HB3  MET  34           HB3      MET  34  -8.708  -3.396  -6.292
  251    HG2  MET  34           HG2      MET  34  -6.685  -2.902  -7.314
  252    HG3  MET  34           HG3      MET  34  -6.626  -4.443  -8.160
  253    HE1  MET  34           HE1      MET  34  -5.816  -2.372 -10.116
  254    HE2  MET  34           HE2      MET  34  -6.939  -2.742 -11.426
  255    HE3  MET  34           HE3      MET  34  -6.268  -4.050 -10.440
  256    H    GLU  35           H        GLU  35  -5.266  -5.098  -6.581
  257    HA   GLU  35           HA       GLU  35  -5.302  -7.721  -7.909
  258    HB2  GLU  35           HB2      GLU  35  -5.418  -5.906  -9.573
  259    HB3  GLU  35           HB3      GLU  35  -3.910  -5.254  -8.947
  260    HG2  GLU  35           HG2      GLU  35  -2.821  -7.403  -9.509
  261    HG3  GLU  35           HG3      GLU  35  -4.326  -7.929 -10.255
  262    H    LYS  36           H        LYS  36  -3.738  -9.003  -7.421
  263    HA   LYS  36           HA       LYS  36  -1.618  -8.012  -5.651
  264    HB2  LYS  36           HB2      LYS  36  -2.696 -10.797  -6.114
  265    HB3  LYS  36           HB3      LYS  36  -1.292 -10.447  -5.115
  266    HG2  LYS  36           HG2      LYS  36  -2.665  -9.091  -3.631
  267    HG3  LYS  36           HG3      LYS  36  -4.077  -9.401  -4.643
  268    HD2  LYS  36           HD2      LYS  36  -2.467 -11.556  -3.282
  269    HD3  LYS  36           HD3      LYS  36  -3.926 -10.837  -2.598
  270    HE2  LYS  36           HE2      LYS  36  -5.242 -11.624  -4.453
  271    HE3  LYS  36           HE3      LYS  36  -3.801 -12.208  -5.283
  272    HZ1  LYS  36           HZ1      LYS  36  -5.090 -13.967  -4.151
  273    HZ2  LYS  36           HZ2      LYS  36  -4.740 -13.242  -2.659
  274    HZ3  LYS  36           HZ3      LYS  36  -3.485 -13.863  -3.614
  275    H    CYS  37           H        CYS  37   0.169  -7.490  -6.697
  276    HA   CYS  37           HA       CYS  37   0.721  -8.373  -9.331
  277    HB2  CYS  37           HB2      CYS  37   2.589  -6.989  -7.403
  278    HB3  CYS  37           HB3      CYS  37   2.748  -7.062  -9.156
  279    HG   CYS  37           HG       CYS  37   0.594  -5.444  -9.721
  280    H    ASP  38           H        ASP  38   2.975  -9.184  -9.882
  281    HA   ASP  38           HA       ASP  38   3.183 -11.806  -8.739
  282    HB2  ASP  38           HB2      ASP  38   3.478 -11.375 -11.148
  283    HB3  ASP  38           HB3      ASP  38   4.905 -10.406 -10.799
  284    H    ASP  39           H        ASP  39   5.005  -8.823  -8.590
  285    HA   ASP  39           HA       ASP  39   7.347 -10.038  -7.470
  286    HB2  ASP  39           HB2      ASP  39   8.111  -7.647  -7.332
  287    HB3  ASP  39           HB3      ASP  39   7.621  -8.191  -8.938
  288    H    GLY  40           H        GLY  40   4.426  -8.887  -6.056
  289    HA2  GLY  40           HA2      GLY  40   4.260  -9.684  -3.721
  290    HA3  GLY  40           HA3      GLY  40   5.849  -8.985  -3.465
  291    H    TRP  41           H        TRP  41   5.179  -6.558  -5.038
  292    HA   TRP  41           HA       TRP  41   3.734  -5.131  -2.989
  293    HB2  TRP  41           HB2      TRP  41   4.445  -4.062  -5.721
  294    HB3  TRP  41           HB3      TRP  41   4.155  -3.149  -4.248
  295    HD1  TRP  41           HD1      TRP  41   6.826  -3.361  -6.286
  296    HE1  TRP  41           HE1      TRP  41   9.117  -3.558  -5.147
  297    HE3  TRP  41           HE3      TRP  41   5.343  -4.987  -1.621
  298    HZ2  TRP  41           HZ2      TRP  41  10.167  -4.300  -2.660
  299    HZ3  TRP  41           HZ3      TRP  41   7.078  -5.410   0.053
  300    HH2  TRP  41           HH2      TRP  41   9.439  -5.072  -0.452
  301    H    PHE  42           H        PHE  42   1.661  -4.013  -3.437
  302    HA   PHE  42           HA       PHE  42   0.086  -5.623  -5.322
  303    HB2  PHE  42           HB2      PHE  42  -0.670  -4.795  -2.519
  304    HB3  PHE  42           HB3      PHE  42  -1.712  -5.644  -3.644
  305    HD1  PHE  42           HD1      PHE  42   0.222  -7.625  -4.784
  306    HD2  PHE  42           HD2      PHE  42  -0.406  -6.301  -0.783
  307    HE1  PHE  42           HE1      PHE  42   1.061  -9.775  -3.942
  308    HE2  PHE  42           HE2      PHE  42   0.447  -8.448   0.061
  309    HZ   PHE  42           HZ       PHE  42   1.181 -10.190  -1.518
  310    H    VAL  43           H        VAL  43  -2.087  -4.649  -5.798
  311    HA   VAL  43           HA       VAL  43  -1.837  -1.722  -6.041
  312    HB   VAL  43           HB       VAL  43  -2.966  -3.812  -7.851
  313   HG11  VAL  43          HG11      VAL  43  -3.903  -0.943  -7.939
  314   HG12  VAL  43          HG12      VAL  43  -4.884  -2.271  -7.321
  315   HG13  VAL  43          HG13      VAL  43  -4.381  -2.257  -9.013
  316   HG21  VAL  43          HG21      VAL  43  -1.912  -2.373  -9.515
  317   HG22  VAL  43          HG22      VAL  43  -0.781  -2.789  -8.221
  318   HG23  VAL  43          HG23      VAL  43  -1.559  -1.205  -8.240
  319    H    GLY  44           H        GLY  44  -3.303  -0.454  -5.072
  320    HA2  GLY  44           HA2      GLY  44  -5.833  -1.547  -4.122
  321    HA3  GLY  44           HA3      GLY  44  -4.639  -1.250  -2.872
  322    H    THR  45           H        THR  45  -6.634   0.065  -2.272
  323    HA   THR  45           HA       THR  45  -6.217   2.814  -3.216
  324    HB   THR  45           HB       THR  45  -8.859   1.480  -2.649
  325    HG1  THR  45           HG1      THR  45  -7.410   2.021  -4.921
  326   HG21  THR  45          HG21      THR  45  -9.861   3.651  -3.359
  327   HG22  THR  45          HG22      THR  45  -8.248   4.360  -3.301
  328   HG23  THR  45          HG23      THR  45  -8.989   3.739  -1.827
  329    H    SER  46           H        SER  46  -6.225   4.341  -1.670
  330    HA   SER  46           HA       SER  46  -5.782   3.503   1.029
  331    HB2  SER  46           HB2      SER  46  -4.471   5.319   0.115
  332    HB3  SER  46           HB3      SER  46  -5.927   6.236  -0.271
  333    HG   SER  46           HG       SER  46  -5.086   5.511   2.364
  334    H    ARG  47           H        ARG  47  -7.263   3.393   2.638
  335    HA   ARG  47           HA       ARG  47 -10.006   4.052   2.205
  336    HB2  ARG  47           HB2      ARG  47  -9.335   2.203   3.648
  337    HB3  ARG  47           HB3      ARG  47  -8.537   3.315   4.744
  338    HG2  ARG  47           HG2      ARG  47 -10.831   4.390   5.046
  339    HG3  ARG  47           HG3      ARG  47 -11.468   2.946   4.252
  340    HD2  ARG  47           HD2      ARG  47 -10.348   1.553   5.943
  341    HD3  ARG  47           HD3      ARG  47  -9.778   3.013   6.740
  342    HE   ARG  47           HE       ARG  47 -12.555   2.058   6.638
  343   HH11  ARG  47          HH11      ARG  47 -10.152   4.294   7.898
  344   HH12  ARG  47          HH12      ARG  47 -11.161   4.819   9.217
  345   HH21  ARG  47          HH22      ARG  47 -13.883   2.785   8.352
  346   HH22  ARG  47          HH21      ARG  47 -13.297   4.005   9.437
  347    H    ARG  48           H        ARG  48  -7.288   5.728   3.559
  348    HA   ARG  48           HA       ARG  48  -8.847   7.652   5.021
  349    HB2  ARG  48           HB2      ARG  48  -6.581   6.963   5.714
  350    HB3  ARG  48           HB3      ARG  48  -5.919   7.697   4.267
  351    HG2  ARG  48           HG2      ARG  48  -6.639   9.890   5.028
  352    HG3  ARG  48           HG3      ARG  48  -7.340   9.159   6.478
  353    HD2  ARG  48           HD2      ARG  48  -5.172   8.364   7.171
  354    HD3  ARG  48           HD3      ARG  48  -4.451   8.955   5.676
  355    HE   ARG  48           HE       ARG  48  -5.481  11.209   6.732
  356   HH11  ARG  48          HH11      ARG  48  -3.508   8.660   8.133
  357   HH12  ARG  48          HH12      ARG  48  -2.683   9.736   9.224
  358   HH21  ARG  48          HH22      ARG  48  -4.406  12.604   8.201
  359   HH22  ARG  48          HH21      ARG  48  -3.203  11.959   9.273
  360    H    THR  49           H        THR  49  -6.923   7.763   2.015
  361    HA   THR  49           HA       THR  49  -8.110  10.407   1.508
  362    HB   THR  49           HB       THR  49  -5.883  10.878   1.549
  363    HG1  THR  49           HG1      THR  49  -5.177  10.411  -0.900
  364   HG21  THR  49          HG21      THR  49  -4.081   9.423   0.775
  365   HG22  THR  49          HG22      THR  49  -5.274   8.229   0.264
  366   HG23  THR  49          HG23      THR  49  -5.100   8.622   1.974
  367    H    LYS  50           H        LYS  50  -8.176   7.213   0.436
  368    HA   LYS  50           HA       LYS  50  -9.416   6.181  -1.140
  369    HB2  LYS  50           HB2      LYS  50 -10.585   8.899  -1.701
  370    HB3  LYS  50           HB3      LYS  50 -11.250   7.356  -2.208
  371    HG2  LYS  50           HG2      LYS  50 -11.097   8.499   0.559
  372    HG3  LYS  50           HG3      LYS  50 -12.522   8.017  -0.355
  373    HD2  LYS  50           HD2      LYS  50 -10.419   6.211   0.827
  374    HD3  LYS  50           HD3      LYS  50 -12.091   6.384   1.361
  375    HE2  LYS  50           HE2      LYS  50 -11.136   5.275  -1.269
  376    HE3  LYS  50           HE3      LYS  50 -11.802   4.349   0.073
  377    HZ1  LYS  50           HZ1      LYS  50 -13.877   5.752  -0.234
  378    HZ2  LYS  50           HZ2      LYS  50 -13.552   4.605  -1.444
  379    HZ3  LYS  50           HZ3      LYS  50 -13.213   6.240  -1.717
  380    H    GLN  51           H        GLN  51  -6.829   6.969  -1.833
  381    HA   GLN  51           HA       GLN  51  -7.106   7.644  -4.670
  382    HB2  GLN  51           HB2      GLN  51  -4.491   7.685  -4.446
  383    HB3  GLN  51           HB3      GLN  51  -5.458   9.068  -3.952
  384    HG2  GLN  51           HG2      GLN  51  -5.340   8.172  -1.617
  385    HG3  GLN  51           HG3      GLN  51  -4.187   6.976  -2.215
  386   HE21  GLN  51          HE22      GLN  51  -2.177   7.730  -3.072
  387   HE22  GLN  51          HE21      GLN  51  -1.532   9.253  -2.564
  388    H    PHE  52           H        PHE  52  -5.983   6.400  -6.237
  389    HA   PHE  52           HA       PHE  52  -5.744   3.575  -5.434
  390    HB2  PHE  52           HB2      PHE  52  -7.705   3.876  -6.768
  391    HB3  PHE  52           HB3      PHE  52  -6.837   4.855  -7.939
  392    HD1  PHE  52           HD2      PHE  52  -6.694   1.412  -6.481
  393    HD2  PHE  52           HD1      PHE  52  -6.286   3.884  -9.924
  394    HE1  PHE  52           HE2      PHE  52  -6.313  -0.579  -7.860
  395    HE2  PHE  52           HE1      PHE  52  -5.906   1.889 -11.312
  396    HZ   PHE  52           HZ       PHE  52  -5.918  -0.347 -10.280
  397    H    GLY  53           H        GLY  53  -4.048   2.373  -6.177
  398    HA2  GLY  53           HA2      GLY  53  -2.441   2.831  -8.376
  399    HA3  GLY  53           HA3      GLY  53  -1.672   3.693  -7.050
  400    H    THR  54           H        THR  54   0.099   2.277  -7.293
  401    HA   THR  54           HA       THR  54  -0.367  -0.430  -6.248
  402    HB   THR  54           HB       THR  54   0.838  -0.465  -8.322
  403    HG1  THR  54           HG1      THR  54   2.111  -1.181  -5.981
  404   HG21  THR  54          HG21      THR  54   3.252   0.669  -8.140
  405   HG22  THR  54          HG22      THR  54   2.343   1.777  -7.105
  406   HG23  THR  54          HG23      THR  54   1.845   1.517  -8.781
  407    H    PHE  55           H        PHE  55   0.503  -1.036  -4.336
  408    HA   PHE  55           HA       PHE  55   2.258   0.882  -2.991
  409    HB2  PHE  55           HB2      PHE  55   1.026   0.704  -0.927
  410    HB3  PHE  55           HB3      PHE  55  -0.099   1.166  -2.195
  411    HD1  PHE  55           HD1      PHE  55  -1.487  -0.705  -3.260
  412    HD2  PHE  55           HD2      PHE  55   0.585  -1.137   0.426
  413    HE1  PHE  55           HE1      PHE  55  -2.938  -2.606  -2.672
  414    HE2  PHE  55           HE2      PHE  55  -0.854  -3.041   1.022
  415    HZ   PHE  55           HZ       PHE  55  -2.619  -3.780  -0.531
  416    HA   PRO  56           HA       PRO  56   4.692  -2.714  -2.132
  417    HB2  PRO  56           HB3      PRO  56   5.513  -1.204   0.279
  418    HB3  PRO  56           HB2      PRO  56   6.504  -1.869  -1.022
  419    HG2  PRO  56           HG2      PRO  56   6.077   0.760  -0.818
  420    HG3  PRO  56           HG3      PRO  56   6.161  -0.037  -2.400
  421    HD2  PRO  56           HD2      PRO  56   3.761   0.883  -0.863
  422    HD3  PRO  56           HD3      PRO  56   4.077   0.960  -2.610
  423    H    GLY  57           H        GLY  57   3.491  -4.389  -1.446
  424    HA2  GLY  57           HA2      GLY  57   1.709  -4.260   0.786
  425    HA3  GLY  57           HA3      GLY  57   2.105  -5.692  -0.148
  426    H    ASN  58           H        ASN  58   4.601  -3.813   1.274
  427    HA   ASN  58           HA       ASN  58   5.220  -5.987   3.131
  428    HB2  ASN  58           HB2      ASN  58   6.922  -5.298   1.437
  429    HB3  ASN  58           HB3      ASN  58   6.940  -3.694   2.164
  430   HD21  ASN  58          HD22      ASN  58   6.671  -6.646   4.044
  431   HD22  ASN  58          HD21      ASN  58   8.217  -6.511   4.803
  432    H    TYR  59           H        TYR  59   4.144  -2.742   2.922
  433    HA   TYR  59           HA       TYR  59   4.802  -2.202   5.734
  434    HB2  TYR  59           HB2      TYR  59   3.833  -0.326   3.570
  435    HB3  TYR  59           HB3      TYR  59   4.213   0.143   5.220
  436    HD1  TYR  59           HD2      TYR  59   6.685  -0.529   5.983
  437    HD2  TYR  59           HD1      TYR  59   5.418  -0.017   1.954
  438    HE1  TYR  59           HE2      TYR  59   9.017  -0.124   5.306
  439    HE2  TYR  59           HE1      TYR  59   7.735   0.391   1.267
  440    HH   TYR  59           HH       TYR  59  10.387  -0.302   3.233
  441    H    VAL  60           H        VAL  60   2.596  -3.953   4.714
  442    HA   VAL  60           HA       VAL  60   0.454  -2.659   6.211
  443    HB   VAL  60           HB       VAL  60  -1.245  -3.479   4.572
  444   HG11  VAL  60          HG11      VAL  60   0.705  -1.527   3.343
  445   HG12  VAL  60          HG12      VAL  60  -0.422  -1.111   4.635
  446   HG13  VAL  60          HG13      VAL  60  -1.034  -1.630   3.061
  447   HG21  VAL  60          HG21      VAL  60   1.223  -4.077   2.963
  448   HG22  VAL  60          HG22      VAL  60  -0.367  -3.852   2.228
  449   HG23  VAL  60          HG23      VAL  60  -0.111  -5.149   3.387
  450    H    LYS  61           H        LYS  61  -1.156  -4.169   6.960
  451    HA   LYS  61           HA       LYS  61  -0.001  -6.845   7.314
  452    HB2  LYS  61           HB2      LYS  61  -1.171  -6.752   9.616
  453    HB3  LYS  61           HB3      LYS  61   0.348  -5.898   9.407
  454    HG2  LYS  61           HG2      LYS  61  -0.928  -3.799   9.088
  455    HG3  LYS  61           HG3      LYS  61  -2.413  -4.692   9.429
  456    HD2  LYS  61           HD2      LYS  61  -2.042  -4.652  11.635
  457    HD3  LYS  61           HD3      LYS  61  -0.361  -5.147  11.436
  458    HE2  LYS  61           HE2      LYS  61  -0.293  -3.020  12.461
  459    HE3  LYS  61           HE3      LYS  61   0.139  -2.764  10.772
  460    HZ1  LYS  61           HZ1      LYS  61  -2.499  -2.217  12.030
  461    HZ2  LYS  61           HZ2      LYS  61  -2.163  -2.051  10.376
  462    HZ3  LYS  61           HZ3      LYS  61  -1.370  -1.065  11.500
  463    HA   PRO  62           HA       PRO  62  -3.650  -8.275   5.322
  464    HB2  PRO  62           HB3      PRO  62  -2.988 -10.752   6.805
  465    HB3  PRO  62           HB2      PRO  62  -3.259 -10.514   5.078
  466    HG2  PRO  62           HG2      PRO  62  -0.801 -10.877   6.034
  467    HG3  PRO  62           HG3      PRO  62  -1.110  -9.732   4.716
  468    HD2  PRO  62           HD2      PRO  62  -0.595  -9.203   7.606
  469    HD3  PRO  62           HD3      PRO  62  -0.074  -8.287   6.179
  470    H    LEU  63           H        LEU  63  -5.655  -7.953   5.911
  471    HA   LEU  63           HA       LEU  63  -6.485  -8.429   8.675
  472    HB2  LEU  63           HB2      LEU  63  -7.913  -7.080   6.379
  473    HB3  LEU  63           HB3      LEU  63  -8.527  -7.204   8.015
  474    HG   LEU  63           HG       LEU  63  -6.024  -5.712   7.215
  475   HD11  LEU  63          HD11      LEU  63  -8.706  -4.632   8.056
  476   HD12  LEU  63          HD12      LEU  63  -8.139  -4.732   6.390
  477   HD13  LEU  63          HD13      LEU  63  -7.290  -3.709   7.549
  478   HD21  LEU  63          HD21      LEU  63  -7.486  -5.882   9.851
  479   HD22  LEU  63          HD22      LEU  63  -6.123  -4.820   9.501
  480   HD23  LEU  63          HD23      LEU  63  -5.902  -6.568   9.489
  481    H    TYR  64           H        TYR  64  -9.227  -8.870   8.119
  482    HA   TYR  64           HA       TYR  64  -9.053 -11.687   7.479
  483    HB2  TYR  64           HB2      TYR  64 -11.350  -9.987   8.453
  484    HB3  TYR  64           HB3      TYR  64 -11.467 -11.720   8.156
  485    HD1  TYR  64           HD1      TYR  64  -9.759  -9.161  10.229
  486    HD2  TYR  64           HD2      TYR  64 -10.711 -13.284   9.767
  487    HE1  TYR  64           HE1      TYR  64  -8.927  -9.598  12.499
  488    HE2  TYR  64           HE2      TYR  64  -9.881 -13.732  12.041
  489    HH   TYR  64           HH       TYR  64  -8.310 -12.720  13.666
  490    H    LEU  65           H        LEU  65 -11.142  -9.034   6.402
  491    HA   LEU  65           HA       LEU  65 -11.518 -10.386   3.851
  492    HB2  LEU  65           HB2      LEU  65 -12.691  -7.779   4.831
  493    HB3  LEU  65           HB3      LEU  65 -13.159  -8.652   3.389
  494    HG   LEU  65           HG       LEU  65 -13.560  -9.613   6.223
  495   HD11  LEU  65          HD11      LEU  65 -15.014  -7.746   5.640
  496   HD12  LEU  65          HD12      LEU  65 -15.930  -9.247   5.772
  497   HD13  LEU  65          HD13      LEU  65 -15.532  -8.594   4.183
  498   HD21  LEU  65          HD21      LEU  65 -14.858 -11.415   5.202
  499   HD22  LEU  65          HD22      LEU  65 -13.179 -11.453   4.665
  500   HD23  LEU  65          HD23      LEU  65 -14.431 -10.819   3.598
  Start of MODEL    3
    1    H1   GLN   1           H1       GLN   1 -19.392  -4.300  -8.665
    2    H2   GLN   1           H2       GLN   1 -18.628  -2.842  -9.070
    3    H3   GLN   1           H3       GLN   1 -18.921  -3.224  -7.444
    4    HA   GLN   1           HA       GLN   1 -17.403  -5.073  -7.558
    5    HB2  GLN   1           HB2      GLN   1 -16.954  -4.086 -10.390
    6    HB3  GLN   1           HB3      GLN   1 -15.973  -5.303  -9.581
    7    HG2  GLN   1           HG2      GLN   1 -17.834  -6.807  -9.464
    8    HG3  GLN   1           HG3      GLN   1 -18.926  -5.572 -10.089
    9   HE21  GLN   1          HE22      GLN   1 -16.391  -7.818 -10.858
   10   HE22  GLN   1          HE21      GLN   1 -16.564  -7.737 -12.579
   11    H    THR   2           H        THR   2 -16.591  -3.791  -5.930
   12    HA   THR   2           HA       THR   2 -14.649  -1.738  -6.759
   13    HB   THR   2           HB       THR   2 -16.777  -0.703  -5.928
   14    HG1  THR   2           HG1      THR   2 -15.236   0.230  -3.954
   15   HG21  THR   2          HG21      THR   2 -17.246  -0.773  -3.516
   16   HG22  THR   2          HG22      THR   2 -15.964  -1.965  -3.308
   17   HG23  THR   2          HG23      THR   2 -17.395  -2.369  -4.255
   18    H    SER   3           H        SER   3 -13.334  -1.110  -4.661
   19    HA   SER   3           HA       SER   3 -12.006  -3.538  -3.873
   20    HB2  SER   3           HB2      SER   3 -11.418  -0.716  -2.954
   21    HB3  SER   3           HB3      SER   3 -10.314  -2.094  -2.965
   22    HG   SER   3           HG       SER   3 -11.114  -1.909  -5.422
   23    H    GLN   4           H        GLN   4 -14.020  -4.293  -2.728
   24    HA   GLN   4           HA       GLN   4 -14.159  -3.193  -0.006
   25    HB2  GLN   4           HB2      GLN   4 -16.286  -4.754   0.025
   26    HB3  GLN   4           HB3      GLN   4 -16.347  -3.142  -0.673
   27    HG2  GLN   4           HG2      GLN   4 -16.175  -4.029  -2.891
   28    HG3  GLN   4           HG3      GLN   4 -15.878  -5.651  -2.266
   29   HE21  GLN   4          HE22      GLN   4 -17.844  -5.588  -0.208
   30   HE22  GLN   4          HE21      GLN   4 -19.393  -5.631  -0.976
   31    H    ASP   5           H        ASP   5 -15.334  -6.370  -0.765
   32    HA   ASP   5           HA       ASP   5 -13.680  -7.449   1.356
   33    HB2  ASP   5           HB2      ASP   5 -15.846  -8.775  -0.288
   34    HB3  ASP   5           HB3      ASP   5 -15.098  -9.434   1.163
   35    H    LEU   6           H        LEU   6 -12.686  -6.777  -1.452
   36    HA   LEU   6           HA       LEU   6 -11.996  -9.210  -2.727
   37    HB2  LEU   6           HB2      LEU   6 -12.030  -6.843  -3.672
   38    HB3  LEU   6           HB3      LEU   6 -10.489  -6.609  -2.884
   39    HG   LEU   6           HG       LEU   6 -10.264  -7.092  -5.289
   40   HD11  LEU   6          HD11      LEU   6  -8.431  -7.729  -3.834
   41   HD12  LEU   6          HD12      LEU   6  -8.609  -8.879  -5.160
   42   HD13  LEU   6          HD13      LEU   6  -9.183  -9.297  -3.545
   43   HD21  LEU   6          HD21      LEU   6 -11.492  -9.751  -4.596
   44   HD22  LEU   6          HD22      LEU   6 -10.801  -9.303  -6.157
   45   HD23  LEU   6          HD23      LEU   6 -12.238  -8.474  -5.557
   46    H    PHE   7           H        PHE   7  -9.903  -6.882  -1.062
   47    HA   PHE   7           HA       PHE   7  -8.901  -8.690   0.851
   48    HB2  PHE   7           HB2      PHE   7  -7.722  -9.142  -1.587
   49    HB3  PHE   7           HB3      PHE   7  -6.624  -7.961  -0.880
   50    HD1  PHE   7           HD2      PHE   7  -6.674  -8.691   1.962
   51    HD2  PHE   7           HD1      PHE   7  -6.621 -11.158  -1.506
   52    HE1  PHE   7           HE2      PHE   7  -5.616 -10.491   3.265
   53    HE2  PHE   7           HE1      PHE   7  -5.568 -12.963  -0.208
   54    HZ   PHE   7           HZ       PHE   7  -5.062 -12.629   2.177
   55    H    SER   8           H        SER   8  -8.365  -7.372   2.512
   56    HA   SER   8           HA       SER   8  -7.510  -4.644   1.821
   57    HB2  SER   8           HB2      SER   8  -9.861  -4.839   2.747
   58    HB3  SER   8           HB3      SER   8  -9.138  -5.377   4.261
   59    HG   SER   8           HG       SER   8  -9.248  -2.860   3.113
   60    H    TYR   9           H        TYR   9  -5.778  -3.825   2.867
   61    HA   TYR   9           HA       TYR   9  -4.671  -5.416   5.090
   62    HB2  TYR   9           HB2      TYR   9  -3.050  -3.846   3.072
   63    HB3  TYR   9           HB3      TYR   9  -2.420  -4.783   4.413
   64    HD1  TYR   9           HD2      TYR   9  -4.017  -7.287   4.128
   65    HD2  TYR   9           HD1      TYR   9  -2.120  -4.835   1.236
   66    HE1  TYR   9           HE2      TYR   9  -3.793  -9.231   2.641
   67    HE2  TYR   9           HE1      TYR   9  -1.898  -6.759  -0.271
   68    HH   TYR   9           HH       TYR   9  -1.803  -9.228  -0.099
   69    H    GLN  10           H        GLN  10  -3.576  -4.215   6.706
   70    HA   GLN  10           HA       GLN  10  -4.207  -1.338   6.708
   71    HB2  GLN  10           HB2      GLN  10  -5.110  -2.753   8.602
   72    HB3  GLN  10           HB3      GLN  10  -3.440  -3.025   9.093
   73    HG2  GLN  10           HG2      GLN  10  -3.152  -0.580   9.297
   74    HG3  GLN  10           HG3      GLN  10  -4.861  -0.380   8.935
   75   HE21  GLN  10          HE22      GLN  10  -3.368   0.367  11.311
   76   HE22  GLN  10          HE21      GLN  10  -4.135  -0.429  12.637
   77    H    ALA  11           H        ALA  11  -2.559   0.093   6.794
   78    HA   ALA  11           HA       ALA  11   0.037  -0.827   6.103
   79    HB1  ALA  11           HB1      ALA  11   0.637   1.554   6.179
   80    HB2  ALA  11           HB2      ALA  11  -0.939   1.900   6.904
   81    HB3  ALA  11           HB3      ALA  11  -0.840   1.265   5.258
   82    H    LEU  12           H        LEU  12   1.623  -1.410   7.338
   83    HA   LEU  12           HA       LEU  12   1.472  -1.537  10.155
   84    HB2  LEU  12           HB2      LEU  12   3.682  -1.976   8.159
   85    HB3  LEU  12           HB3      LEU  12   3.977  -2.093   9.883
   86    HG   LEU  12           HG       LEU  12   1.714  -3.698   8.915
   87   HD11  LEU  12          HD11      LEU  12   4.537  -4.256   8.039
   88   HD12  LEU  12          HD12      LEU  12   3.108  -4.031   7.026
   89   HD13  LEU  12          HD13      LEU  12   3.248  -5.459   8.050
   90   HD21  LEU  12          HD21      LEU  12   4.125  -4.262  10.639
   91   HD22  LEU  12          HD22      LEU  12   2.765  -5.353  10.395
   92   HD23  LEU  12          HD23      LEU  12   2.519  -3.809  11.210
   93    H    TYR  13           H        TYR  13   3.072   0.633   7.917
   94    HA   TYR  13           HA       TYR  13   3.193   2.684   9.899
   95    HB2  TYR  13           HB2      TYR  13   5.702   3.033   9.595
   96    HB3  TYR  13           HB3      TYR  13   5.197   1.717  10.640
   97    HD1  TYR  13           HD1      TYR  13   5.256  -0.638   9.711
   98    HD2  TYR  13           HD2      TYR  13   7.146   2.644   7.775
   99    HE1  TYR  13           HE1      TYR  13   6.701  -2.201   8.493
  100    HE2  TYR  13           HE2      TYR  13   8.591   1.082   6.539
  101    HH   TYR  13           HH       TYR  13   9.456  -1.233   6.807
  102    H    SER  14           H        SER  14   4.288   4.680   8.972
  103    HA   SER  14           HA       SER  14   2.882   5.241   6.564
  104    HB2  SER  14           HB2      SER  14   4.860   6.955   8.089
  105    HB3  SER  14           HB3      SER  14   3.741   7.522   6.849
  106    HG   SER  14           HG       SER  14   3.018   7.789   9.076
  107    H    TYR  15           H        TYR  15   3.681   5.798   4.529
  108    HA   TYR  15           HA       TYR  15   6.551   5.627   4.039
  109    HB2  TYR  15           HB2      TYR  15   5.778   3.297   3.789
  110    HB3  TYR  15           HB3      TYR  15   4.597   3.817   2.606
  111    HD1  TYR  15           HD2      TYR  15   8.261   3.685   3.228
  112    HD2  TYR  15           HD1      TYR  15   5.139   3.936   0.351
  113    HE1  TYR  15           HE2      TYR  15   9.908   3.400   1.423
  114    HE2  TYR  15           HE1      TYR  15   6.774   3.647  -1.458
  115    HH   TYR  15           HH       TYR  15   9.243   4.050  -1.786
  116    H    ILE  16           H        ILE  16   7.209   6.871   2.432
  117    HA   ILE  16           HA       ILE  16   5.179   8.344   0.914
  118    HB   ILE  16           HB       ILE  16   8.089   8.960   1.428
  119   HG12  ILE  16          HG12      ILE  16   6.717   9.296   3.397
  120   HG13  ILE  16          HG13      ILE  16   7.189  10.860   2.740
  121   HG21  ILE  16          HG21      ILE  16   6.028  10.587  -0.062
  122   HG22  ILE  16          HG22      ILE  16   7.419   9.769  -0.773
  123   HG23  ILE  16          HG23      ILE  16   7.662  11.118   0.339
  124   HD11  ILE  16          HD11      ILE  16   4.987  11.101   1.725
  125   HD12  ILE  16          HD12      ILE  16   4.872  10.860   3.469
  126   HD13  ILE  16          HD13      ILE  16   4.515   9.528   2.368
  127    HA   PRO  17           HA       PRO  17   6.253   5.713  -2.539
  128    HB2  PRO  17           HB3      PRO  17   4.802   7.796  -4.062
  129    HB3  PRO  17           HB2      PRO  17   4.504   6.059  -3.971
  130    HG2  PRO  17           HG2      PRO  17   2.893   7.804  -2.760
  131    HG3  PRO  17           HG3      PRO  17   3.281   6.238  -2.021
  132    HD2  PRO  17           HD2      PRO  17   4.367   8.959  -1.390
  133    HD3  PRO  17           HD3      PRO  17   3.927   7.637  -0.290
  134    H    GLN  18           H        GLN  18   7.782   5.698  -4.056
  135    HA   GLN  18           HA       GLN  18   9.362   8.133  -4.331
  136    HB2  GLN  18           HB2      GLN  18  10.068   5.259  -4.933
  137    HB3  GLN  18           HB3      GLN  18  11.156   6.628  -5.139
  138    HG2  GLN  18           HG2      GLN  18  10.972   7.112  -2.740
  139    HG3  GLN  18           HG3      GLN  18   9.938   5.694  -2.552
  140   HE21  GLN  18          HE22      GLN  18  12.554   6.400  -1.410
  141   HE22  GLN  18          HE21      GLN  18  13.598   5.069  -1.784
  142    H    ASN  19           H        ASN  19   7.181   6.178  -5.984
  143    HA   ASN  19           HA       ASN  19   7.796   7.614  -8.481
  144    HB2  ASN  19           HB2      ASN  19   6.511   4.969  -7.926
  145    HB3  ASN  19           HB3      ASN  19   6.077   5.853  -9.387
  146   HD21  ASN  19          HD22      ASN  19   6.948   4.266 -10.693
  147   HD22  ASN  19          HD21      ASN  19   8.665   4.077 -10.890
  148    H    ASP  20           H        ASP  20   6.246   8.901  -9.370
  149    HA   ASP  20           HA       ASP  20   4.014   9.620  -7.664
  150    HB2  ASP  20           HB2      ASP  20   5.389  11.336  -8.911
  151    HB3  ASP  20           HB3      ASP  20   4.673  10.726 -10.402
  152    H    ASP  21           H        ASP  21   2.953   7.675  -7.756
  153    HA   ASP  21           HA       ASP  21   1.109   7.010  -9.720
  154    HB2  ASP  21           HB2      ASP  21   3.024   6.607 -11.186
  155    HB3  ASP  21           HB3      ASP  21   3.758   5.558  -9.981
  156    H    GLU  22           H        GLU  22   3.211   6.229  -7.118
  157    HA   GLU  22           HA       GLU  22   1.768   3.821  -6.386
  158    HB2  GLU  22           HB2      GLU  22   4.089   5.294  -5.125
  159    HB3  GLU  22           HB3      GLU  22   3.386   3.827  -4.457
  160    HG2  GLU  22           HG2      GLU  22   4.136   2.512  -6.201
  161    HG3  GLU  22           HG3      GLU  22   4.366   3.885  -7.276
  162    H    LEU  23           H        LEU  23   1.246   3.640  -3.973
  163    HA   LEU  23           HA       LEU  23  -0.648   5.800  -3.413
  164    HB2  LEU  23           HB2      LEU  23  -1.250   3.286  -3.636
  165    HB3  LEU  23           HB3      LEU  23  -0.524   3.108  -2.054
  166    HG   LEU  23           HG       LEU  23  -3.050   3.316  -2.107
  167   HD11  LEU  23          HD11      LEU  23  -3.176   4.742  -0.156
  168   HD12  LEU  23          HD12      LEU  23  -1.553   5.348  -0.487
  169   HD13  LEU  23          HD13      LEU  23  -1.792   3.653  -0.064
  170   HD21  LEU  23          HD21      LEU  23  -3.213   5.009  -3.820
  171   HD22  LEU  23          HD22      LEU  23  -2.373   6.163  -2.783
  172   HD23  LEU  23          HD23      LEU  23  -3.970   5.562  -2.322
  173    H    GLU  24           H        GLU  24  -0.540   7.017  -1.605
  174    HA   GLU  24           HA       GLU  24   1.877   6.966  -0.063
  175    HB2  GLU  24           HB2      GLU  24  -0.507   8.724  -0.234
  176    HB3  GLU  24           HB3      GLU  24   0.403   8.749   1.273
  177    HG2  GLU  24           HG2      GLU  24   2.422   9.288   0.072
  178    HG3  GLU  24           HG3      GLU  24   1.549   9.233  -1.462
  179    H    LEU  25           H        LEU  25   2.248   5.930   1.749
  180    HA   LEU  25           HA       LEU  25  -0.049   4.556   2.960
  181    HB2  LEU  25           HB2      LEU  25   2.883   3.918   3.158
  182    HB3  LEU  25           HB3      LEU  25   1.589   2.987   3.879
  183    HG   LEU  25           HG       LEU  25   1.887   3.416   0.908
  184   HD11  LEU  25          HD11      LEU  25   2.742   1.097   2.626
  185   HD12  LEU  25          HD12      LEU  25   3.777   2.163   1.674
  186   HD13  LEU  25          HD13      LEU  25   2.655   1.070   0.864
  187   HD21  LEU  25          HD21      LEU  25   0.153   1.561   2.535
  188   HD22  LEU  25          HD22      LEU  25   0.306   1.529   0.778
  189   HD23  LEU  25          HD23      LEU  25  -0.386   2.940   1.577
  190    H    ARG  26           H        ARG  26  -0.410   4.598   5.110
  191    HA   ARG  26           HA       ARG  26   1.135   6.497   6.726
  192    HB2  ARG  26           HB2      ARG  26  -0.617   7.911   6.395
  193    HB3  ARG  26           HB3      ARG  26  -1.668   6.615   5.872
  194    HG2  ARG  26           HG2      ARG  26  -1.785   5.983   8.363
  195    HG3  ARG  26           HG3      ARG  26  -1.175   7.621   8.636
  196    HD2  ARG  26           HD2      ARG  26  -3.047   8.584   7.519
  197    HD3  ARG  26           HD3      ARG  26  -3.578   7.014   6.924
  198    HE   ARG  26           HE       ARG  26  -3.554   7.607   9.814
  199   HH11  ARG  26          HH11      ARG  26  -5.252   6.574   6.902
  200   HH12  ARG  26          HH12      ARG  26  -6.712   6.177   7.767
  201   HH21  ARG  26          HH22      ARG  26  -5.496   7.071  10.919
  202   HH22  ARG  26          HH21      ARG  26  -6.859   6.480  10.011
  203    H    ASP  27           H        ASP  27   1.348   5.919   8.814
  204    HA   ASP  27           HA       ASP  27   1.118   3.265   9.631
  205    HB2  ASP  27           HB2      ASP  27   2.512   5.064  10.729
  206    HB3  ASP  27           HB3      ASP  27   1.038   5.665  11.481
  207    H    GLY  28           H        GLY  28  -0.802   2.232   9.486
  208    HA2  GLY  28           HA2      GLY  28  -2.742   1.567  10.680
  209    HA3  GLY  28           HA3      GLY  28  -2.954   3.223  11.224
  210    H    ASP  29           H        ASP  29  -2.246   3.572   8.073
  211    HA   ASP  29           HA       ASP  29  -4.967   4.051   7.316
  212    HB2  ASP  29           HB2      ASP  29  -2.809   5.220   6.445
  213    HB3  ASP  29           HB3      ASP  29  -2.690   3.844   5.355
  214    H    ILE  30           H        ILE  30  -6.360   2.683   6.335
  215    HA   ILE  30           HA       ILE  30  -5.408   0.014   5.708
  216    HB   ILE  30           HB       ILE  30  -8.107   1.232   6.036
  217   HG12  ILE  30          HG12      ILE  30  -8.326  -1.032   7.313
  218   HG13  ILE  30          HG13      ILE  30  -6.573  -1.046   7.212
  219   HG21  ILE  30          HG21      ILE  30  -9.172  -0.856   5.224
  220   HG22  ILE  30          HG22      ILE  30  -7.617  -1.325   4.553
  221   HG23  ILE  30          HG23      ILE  30  -8.425   0.116   3.961
  222   HD11  ILE  30          HD11      ILE  30  -7.161  -0.119   9.302
  223   HD12  ILE  30          HD12      ILE  30  -8.319   0.987   8.559
  224   HD13  ILE  30          HD13      ILE  30  -6.595   1.203   8.281
  225    H    VAL  31           H        VAL  31  -5.226  -0.815   3.731
  226    HA   VAL  31           HA       VAL  31  -6.137   0.809   1.462
  227    HB   VAL  31           HB       VAL  31  -3.428  -0.497   1.756
  228   HG11  VAL  31          HG11      VAL  31  -3.040   0.114  -0.608
  229   HG12  VAL  31          HG12      VAL  31  -4.745   0.547  -0.752
  230   HG13  VAL  31          HG13      VAL  31  -4.284  -1.123  -0.422
  231   HG21  VAL  31          HG21      VAL  31  -2.596   1.716   1.217
  232   HG22  VAL  31          HG22      VAL  31  -3.698   1.810   2.592
  233   HG23  VAL  31          HG23      VAL  31  -4.244   2.301   0.987
  234    H    ASP  32           H        ASP  32  -7.518  -0.272   0.303
  235    HA   ASP  32           HA       ASP  32  -7.719  -3.155   0.551
  236    HB2  ASP  32           HB2      ASP  32  -9.373  -1.346  -1.211
  237    HB3  ASP  32           HB3      ASP  32  -9.798  -2.947  -0.611
  238    H    VAL  33           H        VAL  33  -6.570  -4.422  -0.738
  239    HA   VAL  33           HA       VAL  33  -5.448  -3.331  -3.190
  240    HB   VAL  33           HB       VAL  33  -3.838  -4.476  -1.898
  241   HG11  VAL  33          HG11      VAL  33  -5.849  -6.693  -1.674
  242   HG12  VAL  33          HG12      VAL  33  -5.118  -5.738  -0.379
  243   HG13  VAL  33          HG13      VAL  33  -4.143  -6.899  -1.280
  244   HG21  VAL  33          HG21      VAL  33  -4.701  -6.426  -4.019
  245   HG22  VAL  33          HG22      VAL  33  -3.079  -6.229  -3.355
  246   HG23  VAL  33          HG23      VAL  33  -3.802  -4.938  -4.320
  247    H    MET  34           H        MET  34  -6.256  -3.686  -5.126
  248    HA   MET  34           HA       MET  34  -8.417  -5.637  -5.387
  249    HB2  MET  34           HB2      MET  34  -9.240  -4.420  -7.201
  250    HB3  MET  34           HB3      MET  34  -8.673  -3.194  -6.089
  251    HG2  MET  34           HG2      MET  34  -7.851  -2.356  -8.019
  252    HG3  MET  34           HG3      MET  34  -6.487  -3.370  -7.548
  253    HE1  MET  34           HE1      MET  34  -6.641  -2.373 -10.405
  254    HE2  MET  34           HE2      MET  34  -6.486  -3.805 -11.425
  255    HE3  MET  34           HE3      MET  34  -5.459  -3.622 -10.003
  256    H    GLU  35           H        GLU  35  -5.236  -4.811  -6.649
  257    HA   GLU  35           HA       GLU  35  -5.226  -7.434  -7.985
  258    HB2  GLU  35           HB2      GLU  35  -5.245  -5.752  -9.694
  259    HB3  GLU  35           HB3      GLU  35  -3.938  -4.873  -8.924
  260    HG2  GLU  35           HG2      GLU  35  -2.342  -6.320  -9.658
  261    HG3  GLU  35           HG3      GLU  35  -3.454  -7.687  -9.728
  262    H    LYS  36           H        LYS  36  -3.666  -8.761  -7.450
  263    HA   LYS  36           HA       LYS  36  -1.573  -7.737  -5.655
  264    HB2  LYS  36           HB2      LYS  36  -2.796 -10.498  -5.786
  265    HB3  LYS  36           HB3      LYS  36  -1.474 -10.033  -4.723
  266    HG2  LYS  36           HG2      LYS  36  -2.943  -8.400  -3.632
  267    HG3  LYS  36           HG3      LYS  36  -4.265  -8.908  -4.682
  268    HD2  LYS  36           HD2      LYS  36  -2.798 -10.665  -2.712
  269    HD3  LYS  36           HD3      LYS  36  -4.397  -9.962  -2.469
  270    HE2  LYS  36           HE2      LYS  36  -3.689 -11.851  -4.705
  271    HE3  LYS  36           HE3      LYS  36  -4.423 -12.348  -3.185
  272    HZ1  LYS  36           HZ1      LYS  36  -6.032 -12.052  -5.004
  273    HZ2  LYS  36           HZ2      LYS  36  -5.644 -10.405  -5.076
  274    HZ3  LYS  36           HZ3      LYS  36  -6.354 -11.051  -3.681
  275    H    CYS  37           H        CYS  37   0.210  -7.440  -6.845
  276    HA   CYS  37           HA       CYS  37   0.964  -9.133  -9.011
  277    HB2  CYS  37           HB2      CYS  37   2.727  -7.238  -7.446
  278    HB3  CYS  37           HB3      CYS  37   3.007  -7.851  -9.075
  279    HG   CYS  37           HG       CYS  37   2.271  -5.369  -9.716
  280    H    ASP  38           H        ASP  38   2.795 -10.477  -9.099
  281    HA   ASP  38           HA       ASP  38   2.773 -12.351  -6.964
  282    HB2  ASP  38           HB2      ASP  38   2.923 -13.023  -9.312
  283    HB3  ASP  38           HB3      ASP  38   4.481 -12.220  -9.456
  284    H    ASP  39           H        ASP  39   4.916  -9.740  -7.851
  285    HA   ASP  39           HA       ASP  39   7.109 -10.761  -6.286
  286    HB2  ASP  39           HB2      ASP  39   7.407  -9.326  -8.329
  287    HB3  ASP  39           HB3      ASP  39   6.823  -7.962  -7.380
  288    H    GLY  40           H        GLY  40   4.256  -9.034  -5.527
  289    HA2  GLY  40           HA2      GLY  40   3.794  -9.192  -3.120
  290    HA3  GLY  40           HA3      GLY  40   5.440  -8.646  -2.838
  291    H    TRP  41           H        TRP  41   4.981  -6.669  -5.146
  292    HA   TRP  41           HA       TRP  41   3.814  -4.578  -3.531
  293    HB2  TRP  41           HB2      TRP  41   4.455  -4.305  -6.458
  294    HB3  TRP  41           HB3      TRP  41   4.494  -3.071  -5.204
  295    HD1  TRP  41           HD1      TRP  41   6.826  -4.429  -7.331
  296    HE1  TRP  41           HE1      TRP  41   9.163  -4.761  -6.319
  297    HE3  TRP  41           HE3      TRP  41   5.617  -4.233  -2.342
  298    HZ2  TRP  41           HZ2      TRP  41  10.339  -4.923  -3.776
  299    HZ3  TRP  41           HZ3      TRP  41   7.422  -4.488  -0.700
  300    HH2  TRP  41           HH2      TRP  41   9.733  -4.826  -1.399
  301    H    PHE  42           H        PHE  42   1.739  -3.717  -3.823
  302    HA   PHE  42           HA       PHE  42   0.048  -5.367  -5.569
  303    HB2  PHE  42           HB2      PHE  42  -0.573  -4.351  -2.794
  304    HB3  PHE  42           HB3      PHE  42  -1.665  -5.266  -3.817
  305    HD1  PHE  42           HD1      PHE  42   0.101  -7.371  -4.883
  306    HD2  PHE  42           HD2      PHE  42  -0.154  -5.699  -0.975
  307    HE1  PHE  42           HE1      PHE  42   0.960  -9.467  -3.935
  308    HE2  PHE  42           HE2      PHE  42   0.718  -7.796  -0.022
  309    HZ   PHE  42           HZ       PHE  42   1.275  -9.682  -1.505
  310    H    VAL  43           H        VAL  43  -2.082  -4.380  -6.040
  311    HA   VAL  43           HA       VAL  43  -1.898  -1.449  -6.255
  312    HB   VAL  43           HB       VAL  43  -3.067  -3.527  -8.057
  313   HG11  VAL  43          HG11      VAL  43  -4.063  -0.677  -7.974
  314   HG12  VAL  43          HG12      VAL  43  -4.994  -2.081  -7.451
  315   HG13  VAL  43          HG13      VAL  43  -4.520  -1.915  -9.143
  316   HG21  VAL  43          HG21      VAL  43  -2.119  -2.023  -9.746
  317   HG22  VAL  43          HG22      VAL  43  -0.918  -2.493  -8.537
  318   HG23  VAL  43          HG23      VAL  43  -1.683  -0.903  -8.453
  319    H    GLY  44           H        GLY  44  -3.348  -0.244  -5.217
  320    HA2  GLY  44           HA2      GLY  44  -5.792  -1.413  -4.151
  321    HA3  GLY  44           HA3      GLY  44  -4.541  -1.115  -2.956
  322    H    THR  45           H        THR  45  -6.536   0.154  -2.243
  323    HA   THR  45           HA       THR  45  -6.236   2.915  -3.178
  324    HB   THR  45           HB       THR  45  -8.817   1.479  -2.583
  325    HG1  THR  45           HG1      THR  45  -7.419   2.043  -4.859
  326   HG21  THR  45          HG21      THR  45  -9.897   3.622  -3.260
  327   HG22  THR  45          HG22      THR  45  -8.304   4.377  -3.207
  328   HG23  THR  45          HG23      THR  45  -9.014   3.712  -1.736
  329    H    SER  46           H        SER  46  -6.212   4.409  -1.598
  330    HA   SER  46           HA       SER  46  -5.726   3.555   1.088
  331    HB2  SER  46           HB2      SER  46  -4.560   5.492   0.131
  332    HB3  SER  46           HB3      SER  46  -6.099   6.329  -0.071
  333    HG   SER  46           HG       SER  46  -5.013   5.481   2.437
  334    H    ARG  47           H        ARG  47  -7.126   3.490   2.784
  335    HA   ARG  47           HA       ARG  47  -9.923   3.684   2.279
  336    HB2  ARG  47           HB2      ARG  47  -8.663   2.208   4.008
  337    HB3  ARG  47           HB3      ARG  47  -8.725   3.630   5.034
  338    HG2  ARG  47           HG2      ARG  47 -11.116   3.622   5.002
  339    HG3  ARG  47           HG3      ARG  47 -11.134   2.313   3.817
  340    HD2  ARG  47           HD2      ARG  47  -9.915   0.903   5.482
  341    HD3  ARG  47           HD3      ARG  47 -10.140   2.192   6.647
  342    HE   ARG  47           HE       ARG  47 -12.600   1.350   5.431
  343   HH11  ARG  47          HH11      ARG  47 -10.340   0.690   8.022
  344   HH12  ARG  47          HH12      ARG  47 -11.477  -0.227   8.961
  345   HH21  ARG  47          HH22      ARG  47 -14.096   0.124   6.641
  346   HH22  ARG  47          HH21      ARG  47 -13.623  -0.535   8.183
  347    H    ARG  48           H        ARG  48  -7.534   5.861   3.538
  348    HA   ARG  48           HA       ARG  48  -9.407   7.611   4.856
  349    HB2  ARG  48           HB2      ARG  48  -7.246   7.413   5.820
  350    HB3  ARG  48           HB3      ARG  48  -6.453   7.709   4.284
  351    HG2  ARG  48           HG2      ARG  48  -7.227  10.031   4.338
  352    HG3  ARG  48           HG3      ARG  48  -7.989   9.722   5.902
  353    HD2  ARG  48           HD2      ARG  48  -5.905   9.299   6.938
  354    HD3  ARG  48           HD3      ARG  48  -5.076   9.228   5.387
  355    HE   ARG  48           HE       ARG  48  -5.877  11.733   5.325
  356   HH11  ARG  48          HH11      ARG  48  -4.627   9.929   8.042
  357   HH12  ARG  48          HH12      ARG  48  -3.820  11.290   8.755
  358   HH21  ARG  48          HH22      ARG  48  -4.864  13.550   6.283
  359   HH22  ARG  48          HH21      ARG  48  -3.997  13.361   7.781
  360    H    THR  49           H        THR  49  -7.345   7.818   1.968
  361    HA   THR  49           HA       THR  49  -8.745  10.294   1.248
  362    HB   THR  49           HB       THR  49  -6.588  10.969   1.253
  363    HG1  THR  49           HG1      THR  49  -5.637  10.493  -0.971
  364   HG21  THR  49          HG21      THR  49  -4.643   9.558   0.761
  365   HG22  THR  49          HG22      THR  49  -5.730   8.210   0.430
  366   HG23  THR  49          HG23      THR  49  -5.651   8.900   2.052
  367    H    LYS  50           H        LYS  50  -8.567   7.061   0.449
  368    HA   LYS  50           HA       LYS  50  -9.492   5.772  -1.142
  369    HB2  LYS  50           HB2      LYS  50 -11.029   8.261  -1.889
  370    HB3  LYS  50           HB3      LYS  50 -11.399   6.634  -2.428
  371    HG2  LYS  50           HG2      LYS  50 -11.675   7.803   0.317
  372    HG3  LYS  50           HG3      LYS  50 -12.919   7.099  -0.709
  373    HD2  LYS  50           HD2      LYS  50 -10.717   5.668   0.774
  374    HD3  LYS  50           HD3      LYS  50 -12.453   5.547   1.045
  375    HE2  LYS  50           HE2      LYS  50 -10.933   4.586  -1.368
  376    HE3  LYS  50           HE3      LYS  50 -11.630   3.578  -0.108
  377    HZ1  LYS  50           HZ1      LYS  50 -13.835   4.356  -0.771
  378    HZ2  LYS  50           HZ2      LYS  50 -13.029   3.602  -2.061
  379    HZ3  LYS  50           HZ3      LYS  50 -13.142   5.289  -2.011
  380    H    GLN  51           H        GLN  51  -7.030   7.080  -1.734
  381    HA   GLN  51           HA       GLN  51  -7.177   7.727  -4.555
  382    HB2  GLN  51           HB2      GLN  51  -4.566   7.776  -4.183
  383    HB3  GLN  51           HB3      GLN  51  -5.582   9.109  -3.654
  384    HG2  GLN  51           HG2      GLN  51  -5.595   8.131  -1.380
  385    HG3  GLN  51           HG3      GLN  51  -4.481   6.889  -1.950
  386   HE21  GLN  51          HE22      GLN  51  -2.881   7.537  -0.503
  387   HE22  GLN  51          HE21      GLN  51  -1.982   8.997  -0.723
  388    H    PHE  52           H        PHE  52  -6.218   6.518  -6.179
  389    HA   PHE  52           HA       PHE  52  -5.932   3.675  -5.471
  390    HB2  PHE  52           HB2      PHE  52  -7.990   3.989  -6.644
  391    HB3  PHE  52           HB3      PHE  52  -7.219   4.995  -7.860
  392    HD1  PHE  52           HD2      PHE  52  -6.816   1.542  -6.470
  393    HD2  PHE  52           HD1      PHE  52  -6.931   4.050  -9.909
  394    HE1  PHE  52           HE2      PHE  52  -6.520  -0.426  -7.911
  395    HE2  PHE  52           HE1      PHE  52  -6.631   2.082 -11.355
  396    HZ   PHE  52           HZ       PHE  52  -6.425  -0.156 -10.353
  397    H    GLY  53           H        GLY  53  -4.175   2.624  -6.112
  398    HA2  GLY  53           HA2      GLY  53  -2.744   3.039  -8.474
  399    HA3  GLY  53           HA3      GLY  53  -1.932   3.957  -7.209
  400    H    THR  54           H        THR  54  -0.121   2.650  -7.370
  401    HA   THR  54           HA       THR  54  -0.460  -0.113  -6.439
  402    HB   THR  54           HB       THR  54   0.744  -0.047  -8.492
  403    HG1  THR  54           HG1      THR  54   1.941  -0.835  -6.218
  404   HG21  THR  54          HG21      THR  54   3.015   1.273  -8.443
  405   HG22  THR  54          HG22      THR  54   2.179   2.236  -7.222
  406   HG23  THR  54          HG23      THR  54   1.509   2.096  -8.852
  407    H    PHE  55           H        PHE  55   0.401  -0.757  -4.556
  408    HA   PHE  55           HA       PHE  55   2.203   1.084  -3.156
  409    HB2  PHE  55           HB2      PHE  55   1.052   0.780  -1.060
  410    HB3  PHE  55           HB3      PHE  55  -0.114   1.343  -2.244
  411    HD1  PHE  55           HD1      PHE  55  -1.473  -0.552  -3.453
  412    HD2  PHE  55           HD2      PHE  55   0.543  -1.016   0.263
  413    HE1  PHE  55           HE1      PHE  55  -2.909  -2.483  -2.914
  414    HE2  PHE  55           HE2      PHE  55  -0.885  -2.940   0.806
  415    HZ   PHE  55           HZ       PHE  55  -2.616  -3.677  -0.782
  416    HA   PRO  56           HA       PRO  56   4.541  -2.650  -2.581
  417    HB2  PRO  56           HB3      PRO  56   5.699  -1.231  -0.273
  418    HB3  PRO  56           HB2      PRO  56   6.496  -1.875  -1.712
  419    HG2  PRO  56           HG2      PRO  56   6.178   0.766  -1.321
  420    HG3  PRO  56           HG3      PRO  56   6.122   0.046  -2.937
  421    HD2  PRO  56           HD2      PRO  56   3.873   0.967  -1.191
  422    HD3  PRO  56           HD3      PRO  56   4.060   1.093  -2.953
  423    H    GLY  57           H        GLY  57   3.331  -4.265  -1.736
  424    HA2  GLY  57           HA2      GLY  57   1.794  -3.948   0.668
  425    HA3  GLY  57           HA3      GLY  57   1.963  -5.427  -0.267
  426    H    ASN  58           H        ASN  58   4.748  -3.740   0.772
  427    HA   ASN  58           HA       ASN  58   5.458  -5.904   2.591
  428    HB2  ASN  58           HB2      ASN  58   6.933  -5.074   0.656
  429    HB3  ASN  58           HB3      ASN  58   7.212  -3.640   1.638
  430   HD21  ASN  58          HD22      ASN  58   7.691  -7.086   1.413
  431   HD22  ASN  58          HD21      ASN  58   9.005  -7.169   2.539
  432    H    TYR  59           H        TYR  59   4.058  -2.909   2.618
  433    HA   TYR  59           HA       TYR  59   5.014  -2.275   5.337
  434    HB2  TYR  59           HB2      TYR  59   3.780  -0.372   3.330
  435    HB3  TYR  59           HB3      TYR  59   4.471   0.048   4.892
  436    HD1  TYR  59           HD2      TYR  59   7.017  -0.678   5.174
  437    HD2  TYR  59           HD1      TYR  59   5.068  -0.057   1.451
  438    HE1  TYR  59           HE2      TYR  59   9.197  -0.316   4.100
  439    HE2  TYR  59           HE1      TYR  59   7.239   0.307   0.364
  440    HH   TYR  59           HH       TYR  59   9.501   0.976   0.954
  441    H    VAL  60           H        VAL  60   2.760  -4.037   4.317
  442    HA   VAL  60           HA       VAL  60   0.608  -2.824   5.864
  443    HB   VAL  60           HB       VAL  60  -1.090  -3.514   4.166
  444   HG11  VAL  60          HG11      VAL  60   0.891  -1.553   3.021
  445   HG12  VAL  60          HG12      VAL  60  -0.179  -1.172   4.369
  446   HG13  VAL  60          HG13      VAL  60  -0.859  -1.582   2.791
  447   HG21  VAL  60          HG21      VAL  60   1.365  -4.023   2.499
  448   HG22  VAL  60          HG22      VAL  60  -0.250  -3.811   1.822
  449   HG23  VAL  60          HG23      VAL  60   0.077  -5.153   2.915
  450    H    LYS  61           H        LYS  61  -1.019  -4.375   6.516
  451    HA   LYS  61           HA       LYS  61   0.128  -7.078   6.746
  452    HB2  LYS  61           HB2      LYS  61  -0.721  -7.131   9.038
  453    HB3  LYS  61           HB3      LYS  61   0.417  -5.817   8.795
  454    HG2  LYS  61           HG2      LYS  61  -1.925  -4.560   8.278
  455    HG3  LYS  61           HG3      LYS  61  -2.432  -5.747   9.478
  456    HD2  LYS  61           HD2      LYS  61  -0.393  -3.561   9.749
  457    HD3  LYS  61           HD3      LYS  61  -1.838  -3.844  10.719
  458    HE2  LYS  61           HE2      LYS  61  -0.776  -5.965  11.518
  459    HE3  LYS  61           HE3      LYS  61   0.700  -5.467  10.682
  460    HZ1  LYS  61           HZ1      LYS  61   0.724  -4.891  13.047
  461    HZ2  LYS  61           HZ2      LYS  61  -0.652  -3.918  12.834
  462    HZ3  LYS  61           HZ3      LYS  61   0.803  -3.507  12.071
  463    HA   PRO  62           HA       PRO  62  -3.658  -8.532   5.041
  464    HB2  PRO  62           HB3      PRO  62  -3.267 -10.998   6.591
  465    HB3  PRO  62           HB2      PRO  62  -3.289 -10.764   4.843
  466    HG2  PRO  62           HG2      PRO  62  -1.014 -11.305   6.168
  467    HG3  PRO  62           HG3      PRO  62  -1.046 -10.243   4.749
  468    HD2  PRO  62           HD2      PRO  62  -0.902  -9.524   7.652
  469    HD3  PRO  62           HD3      PRO  62  -0.053  -8.809   6.264
  470    H    LEU  63           H        LEU  63  -5.567  -7.827   5.711
  471    HA   LEU  63           HA       LEU  63  -6.381  -8.276   8.491
  472    HB2  LEU  63           HB2      LEU  63  -7.652  -6.557   6.365
  473    HB3  LEU  63           HB3      LEU  63  -8.157  -6.657   8.037
  474    HG   LEU  63           HG       LEU  63  -5.518  -5.552   7.077
  475   HD11  LEU  63          HD11      LEU  63  -7.852  -4.093   8.287
  476   HD12  LEU  63          HD12      LEU  63  -7.628  -4.272   6.549
  477   HD13  LEU  63          HD13      LEU  63  -6.422  -3.408   7.511
  478   HD21  LEU  63          HD21      LEU  63  -6.759  -5.626   9.826
  479   HD22  LEU  63          HD22      LEU  63  -5.254  -4.816   9.392
  480   HD23  LEU  63          HD23      LEU  63  -5.370  -6.574   9.297
  481    H    TYR  64           H        TYR  64  -9.005  -8.280   8.392
  482    HA   TYR  64           HA       TYR  64 -10.057 -10.043   6.373
  483    HB2  TYR  64           HB2      TYR  64 -10.966 -11.468   8.474
  484    HB3  TYR  64           HB3      TYR  64  -9.528 -11.907   7.563
  485    HD1  TYR  64           HD1      TYR  64 -10.626 -10.043  10.603
  486    HD2  TYR  64           HD2      TYR  64  -7.489 -12.137   8.639
  487    HE1  TYR  64           HE1      TYR  64  -9.285  -9.962  12.664
  488    HE2  TYR  64           HE2      TYR  64  -6.144 -12.057  10.687
  489    HH   TYR  64           HH       TYR  64  -5.972 -10.710  12.721
  490    H    LEU  65           H        LEU  65 -12.040  -9.368   5.938
  491    HA   LEU  65           HA       LEU  65 -13.317  -7.534   7.830
  492    HB2  LEU  65           HB2      LEU  65 -12.856  -7.023   5.334
  493    HB3  LEU  65           HB3      LEU  65 -14.214  -8.080   5.008
  494    HG   LEU  65           HG       LEU  65 -14.425  -5.623   6.753
  495   HD11  LEU  65          HD11      LEU  65 -15.047  -5.911   3.815
  496   HD12  LEU  65          HD12      LEU  65 -13.724  -4.975   4.507
  497   HD13  LEU  65          HD13      LEU  65 -15.393  -4.500   4.817
  498   HD21  LEU  65          HD21      LEU  65 -16.820  -5.848   6.304
  499   HD22  LEU  65          HD22      LEU  65 -16.179  -7.290   7.092
  500   HD23  LEU  65          HD23      LEU  65 -16.510  -7.304   5.359
  Start of MODEL    4
    1    H1   GLN   1           H1       GLN   1 -18.185  -4.569  -6.586
    2    H2   GLN   1           H2       GLN   1 -16.941  -5.051  -7.628
    3    H3   GLN   1           H3       GLN   1 -16.749  -3.671  -6.663
    4    HA   GLN   1           HA       GLN   1 -16.838  -5.007  -4.673
    5    HB2  GLN   1           HB2      GLN   1 -16.869  -7.412  -4.745
    6    HB3  GLN   1           HB3      GLN   1 -18.251  -6.813  -5.644
    7    HG2  GLN   1           HG2      GLN   1 -15.683  -7.816  -6.859
    8    HG3  GLN   1           HG3      GLN   1 -17.179  -8.735  -6.721
    9   HE21  GLN   1          HE22      GLN   1 -18.912  -8.234  -8.063
   10   HE22  GLN   1          HE21      GLN   1 -18.729  -7.219  -9.459
   11    H    THR   2           H        THR   2 -15.081  -5.458  -7.712
   12    HA   THR   2           HA       THR   2 -12.758  -6.557  -6.544
   13    HB   THR   2           HB       THR   2 -13.271  -6.739  -8.962
   14    HG1  THR   2           HG1      THR   2 -10.822  -5.868  -7.941
   15   HG21  THR   2          HG21      THR   2 -12.442  -3.836  -9.054
   16   HG22  THR   2          HG22      THR   2 -14.058  -4.468  -9.378
   17   HG23  THR   2          HG23      THR   2 -12.722  -4.870 -10.456
   18    H    SER   3           H        SER   3 -13.872  -3.271  -6.910
   19    HA   SER   3           HA       SER   3 -11.341  -2.322  -5.735
   20    HB2  SER   3           HB2      SER   3 -13.453  -0.631  -7.083
   21    HB3  SER   3           HB3      SER   3 -11.790  -0.181  -6.703
   22    HG   SER   3           HG       SER   3 -11.089  -1.242  -8.418
   23    H    GLN   4           H        GLN   4 -13.702  -3.577  -4.393
   24    HA   GLN   4           HA       GLN   4 -14.284  -1.395  -2.523
   25    HB2  GLN   4           HB2      GLN   4 -16.194  -1.760  -4.126
   26    HB3  GLN   4           HB3      GLN   4 -16.359  -3.382  -3.471
   27    HG2  GLN   4           HG2      GLN   4 -16.854  -2.467  -1.281
   28    HG3  GLN   4           HG3      GLN   4 -16.649  -0.828  -1.907
   29   HE21  GLN   4          HE22      GLN   4 -18.699  -3.624  -1.791
   30   HE22  GLN   4          HE21      GLN   4 -20.083  -2.888  -2.532
   31    H    ASP   5           H        ASP   5 -16.115  -4.131  -1.883
   32    HA   ASP   5           HA       ASP   5 -14.488  -4.783   0.397
   33    HB2  ASP   5           HB2      ASP   5 -17.112  -5.922  -0.588
   34    HB3  ASP   5           HB3      ASP   5 -16.331  -6.398   0.915
   35    H    LEU   6           H        LEU   6 -12.767  -5.389  -1.335
   36    HA   LEU   6           HA       LEU   6 -13.063  -8.205  -2.092
   37    HB2  LEU   6           HB2      LEU   6 -12.342  -6.585  -3.818
   38    HB3  LEU   6           HB3      LEU   6 -10.912  -6.235  -2.864
   39    HG   LEU   6           HG       LEU   6 -10.186  -8.590  -3.123
   40   HD11  LEU   6          HD11      LEU   6 -12.590  -8.788  -4.935
   41   HD12  LEU   6          HD12      LEU   6 -12.353  -9.642  -3.409
   42   HD13  LEU   6          HD13      LEU   6 -11.316 -10.000  -4.790
   43   HD21  LEU   6          HD21      LEU   6  -9.538  -8.426  -5.458
   44   HD22  LEU   6          HD22      LEU   6  -9.398  -6.856  -4.664
   45   HD23  LEU   6          HD23      LEU   6 -10.765  -7.188  -5.728
   46    H    PHE   7           H        PHE   7 -10.375  -6.179  -0.905
   47    HA   PHE   7           HA       PHE   7 -10.058  -7.791   1.450
   48    HB2  PHE   7           HB2      PHE   7  -8.823  -8.974  -0.558
   49    HB3  PHE   7           HB3      PHE   7  -7.615  -7.711  -0.294
   50    HD1  PHE   7           HD2      PHE   7  -6.602  -7.496   2.024
   51    HD2  PHE   7           HD1      PHE   7  -8.900 -10.861   0.809
   52    HE1  PHE   7           HE2      PHE   7  -5.657  -8.806   3.876
   53    HE2  PHE   7           HE1      PHE   7  -7.960 -12.175   2.659
   54    HZ   PHE   7           HZ       PHE   7  -6.336 -11.149   4.197
   55    H    SER   8           H        SER   8  -9.094  -6.612   3.034
   56    HA   SER   8           HA       SER   8  -7.878  -4.061   2.217
   57    HB2  SER   8           HB2      SER   8  -9.445  -4.555   4.755
   58    HB3  SER   8           HB3      SER   8  -8.864  -3.007   4.144
   59    HG   SER   8           HG       SER   8 -10.351  -3.078   2.504
   60    H    TYR   9           H        TYR   9  -5.904  -3.589   3.032
   61    HA   TYR   9           HA       TYR   9  -4.902  -5.228   5.279
   62    HB2  TYR   9           HB2      TYR   9  -3.316  -3.633   3.250
   63    HB3  TYR   9           HB3      TYR   9  -2.635  -4.513   4.604
   64    HD1  TYR   9           HD2      TYR   9  -4.009  -7.109   4.449
   65    HD2  TYR   9           HD1      TYR   9  -2.508  -4.605   1.374
   66    HE1  TYR   9           HE2      TYR   9  -3.690  -9.079   3.007
   67    HE2  TYR   9           HE1      TYR   9  -2.184  -6.552  -0.081
   68    HH   TYR   9           HH       TYR   9  -3.470  -9.651   0.665
   69    H    GLN  10           H        GLN  10  -3.691  -4.103   6.917
   70    HA   GLN  10           HA       GLN  10  -4.258  -1.215   7.003
   71    HB2  GLN  10           HB2      GLN  10  -5.184  -2.224   8.952
   72    HB3  GLN  10           HB3      GLN  10  -3.748  -3.204   9.221
   73    HG2  GLN  10           HG2      GLN  10  -2.491  -1.349   9.943
   74    HG3  GLN  10           HG3      GLN  10  -3.688  -0.205   9.346
   75   HE21  GLN  10          HE22      GLN  10  -5.562   0.145  10.537
   76   HE22  GLN  10          HE21      GLN  10  -5.714  -0.349  12.190
   77    H    ALA  11           H        ALA  11  -2.617   0.194   7.047
   78    HA   ALA  11           HA       ALA  11  -0.054  -0.709   6.223
   79    HB1  ALA  11           HB1      ALA  11   0.539   1.678   6.295
   80    HB2  ALA  11           HB2      ALA  11  -1.004   2.011   7.092
   81    HB3  ALA  11           HB3      ALA  11  -0.978   1.387   5.441
   82    H    LEU  12           H        LEU  12   1.646  -1.181   7.339
   83    HA   LEU  12           HA       LEU  12   1.603  -1.148  10.220
   84    HB2  LEU  12           HB2      LEU  12   3.525  -2.163   8.144
   85    HB3  LEU  12           HB3      LEU  12   3.894  -2.220   9.858
   86    HG   LEU  12           HG       LEU  12   1.318  -3.407   8.997
   87   HD11  LEU  12          HD11      LEU  12   4.009  -4.588   8.362
   88   HD12  LEU  12          HD12      LEU  12   2.637  -4.326   7.274
   89   HD13  LEU  12          HD13      LEU  12   2.546  -5.560   8.531
   90   HD21  LEU  12          HD21      LEU  12   3.466  -4.218  10.951
   91   HD22  LEU  12          HD22      LEU  12   1.908  -5.020  10.739
   92   HD23  LEU  12          HD23      LEU  12   1.973  -3.364  11.341
   93    H    TYR  13           H        TYR  13   3.072   0.653   7.630
   94    HA   TYR  13           HA       TYR  13   4.380   2.432   9.544
   95    HB2  TYR  13           HB2      TYR  13   5.894   1.250   7.197
   96    HB3  TYR  13           HB3      TYR  13   6.529   2.328   8.433
   97    HD1  TYR  13           HD2      TYR  13   6.773   1.463  10.790
   98    HD2  TYR  13           HD1      TYR  13   5.867  -1.078   7.502
   99    HE1  TYR  13           HE2      TYR  13   7.468  -0.490  12.113
  100    HE2  TYR  13           HE1      TYR  13   6.564  -3.033   8.811
  101    HH   TYR  13           HH       TYR  13   7.962  -3.572  10.692
  102    H    SER  14           H        SER  14   5.196   4.412   8.428
  103    HA   SER  14           HA       SER  14   3.374   5.162   6.287
  104    HB2  SER  14           HB2      SER  14   5.311   6.858   7.879
  105    HB3  SER  14           HB3      SER  14   4.099   7.456   6.743
  106    HG   SER  14           HG       SER  14   3.730   7.166   9.253
  107    H    TYR  15           H        TYR  15   4.014   4.939   4.268
  108    HA   TYR  15           HA       TYR  15   6.910   4.909   3.691
  109    HB2  TYR  15           HB2      TYR  15   6.012   2.718   3.337
  110    HB3  TYR  15           HB3      TYR  15   4.644   3.353   2.448
  111    HD1  TYR  15           HD2      TYR  15   8.307   2.794   2.271
  112    HD2  TYR  15           HD1      TYR  15   4.751   3.714   0.143
  113    HE1  TYR  15           HE2      TYR  15   9.491   2.435   0.143
  114    HE2  TYR  15           HE1      TYR  15   5.914   3.351  -1.984
  115    HH   TYR  15           HH       TYR  15   8.105   3.310  -2.894
  116    H    ILE  16           H        ILE  16   7.685   6.074   2.073
  117    HA   ILE  16           HA       ILE  16   5.856   7.927   0.725
  118    HB   ILE  16           HB       ILE  16   8.843   8.070   1.154
  119   HG12  ILE  16          HG12      ILE  16   7.580   8.514   3.189
  120   HG13  ILE  16          HG13      ILE  16   8.290  10.008   2.586
  121   HG21  ILE  16          HG21      ILE  16   8.691  10.328   0.180
  122   HG22  ILE  16          HG22      ILE  16   6.996  10.028  -0.207
  123   HG23  ILE  16          HG23      ILE  16   8.259   9.068  -0.979
  124   HD11  ILE  16          HD11      ILE  16   6.136  10.652   1.649
  125   HD12  ILE  16          HD12      ILE  16   6.028  10.359   3.384
  126   HD13  ILE  16          HD13      ILE  16   5.427   9.152   2.246
  127    HA   PRO  17           HA       PRO  17   6.330   5.077  -2.691
  128    HB2  PRO  17           HB3      PRO  17   5.012   7.362  -4.079
  129    HB3  PRO  17           HB2      PRO  17   4.575   5.650  -4.069
  130    HG2  PRO  17           HG2      PRO  17   3.163   7.370  -2.644
  131    HG3  PRO  17           HG3      PRO  17   3.581   5.783  -1.962
  132    HD2  PRO  17           HD2      PRO  17   4.819   8.458  -1.427
  133    HD3  PRO  17           HD3      PRO  17   4.423   7.151  -0.290
  134    H    GLN  18           H        GLN  18   7.764   4.803  -4.217
  135    HA   GLN  18           HA       GLN  18   9.686   6.910  -4.764
  136    HB2  GLN  18           HB2      GLN  18   9.615   4.019  -5.645
  137    HB3  GLN  18           HB3      GLN  18  10.967   5.122  -5.867
  138    HG2  GLN  18           HG2      GLN  18  11.313   5.259  -3.497
  139    HG3  GLN  18           HG3      GLN  18   9.862   4.299  -3.194
  140   HE21  GLN  18          HE22      GLN  18  12.042   3.567  -5.818
  141   HE22  GLN  18          HE21      GLN  18  12.683   2.110  -5.134
  142    H    ASN  19           H        ASN  19   7.242   4.973  -6.254
  143    HA   ASN  19           HA       ASN  19   7.507   6.427  -8.788
  144    HB2  ASN  19           HB2      ASN  19   6.271   3.849  -7.943
  145    HB3  ASN  19           HB3      ASN  19   5.554   4.693  -9.313
  146   HD21  ASN  19          HD22      ASN  19   6.643   4.791 -11.231
  147   HD22  ASN  19          HD21      ASN  19   8.111   3.913 -11.540
  148    H    ASP  20           H        ASP  20   5.854   7.659  -9.583
  149    HA   ASP  20           HA       ASP  20   4.016   8.789  -7.708
  150    HB2  ASP  20           HB2      ASP  20   5.046  10.078  -9.563
  151    HB3  ASP  20           HB3      ASP  20   4.141   9.106 -10.719
  152    H    ASP  21           H        ASP  21   4.054   5.986  -9.387
  153    HA   ASP  21           HA       ASP  21   1.237   5.729  -9.988
  154    HB2  ASP  21           HB2      ASP  21   3.356   3.575  -9.922
  155    HB3  ASP  21           HB3      ASP  21   1.830   3.545 -10.795
  156    H    GLU  22           H        GLU  22   3.113   5.545  -7.233
  157    HA   GLU  22           HA       GLU  22   1.785   3.192  -6.140
  158    HB2  GLU  22           HB2      GLU  22   4.125   4.818  -5.163
  159    HB3  GLU  22           HB3      GLU  22   3.403   3.510  -4.238
  160    HG2  GLU  22           HG2      GLU  22   3.954   1.924  -5.949
  161    HG3  GLU  22           HG3      GLU  22   4.559   3.200  -6.996
  162    H    LEU  23           H        LEU  23   1.141   3.232  -3.877
  163    HA   LEU  23           HA       LEU  23  -0.567   5.561  -3.368
  164    HB2  LEU  23           HB2      LEU  23  -1.381   3.094  -3.526
  165    HB3  LEU  23           HB3      LEU  23  -0.670   2.908  -1.941
  166    HG   LEU  23           HG       LEU  23  -3.166   3.322  -1.985
  167   HD11  LEU  23          HD11      LEU  23  -1.551   5.359  -0.478
  168   HD12  LEU  23          HD12      LEU  23  -1.797   3.688   0.021
  169   HD13  LEU  23          HD13      LEU  23  -3.171   4.787  -0.082
  170   HD21  LEU  23          HD21      LEU  23  -3.152   4.965  -3.784
  171   HD22  LEU  23          HD22      LEU  23  -2.291   6.094  -2.737
  172   HD23  LEU  23          HD23      LEU  23  -3.933   5.583  -2.325
  173    H    GLU  24           H        GLU  24  -0.398   6.746  -1.522
  174    HA   GLU  24           HA       GLU  24   2.066   6.526  -0.075
  175    HB2  GLU  24           HB2      GLU  24  -0.043   8.510  -0.359
  176    HB3  GLU  24           HB3      GLU  24   0.527   8.359   1.300
  177    HG2  GLU  24           HG2      GLU  24   2.862   8.523   0.351
  178    HG3  GLU  24           HG3      GLU  24   2.091   9.046  -1.152
  179    H    LEU  25           H        LEU  25   2.321   5.069   1.401
  180    HA   LEU  25           HA       LEU  25   0.054   4.064   2.919
  181    HB2  LEU  25           HB2      LEU  25   2.952   3.252   3.065
  182    HB3  LEU  25           HB3      LEU  25   1.597   2.400   3.768
  183    HG   LEU  25           HG       LEU  25   1.931   2.802   0.799
  184   HD11  LEU  25          HD11      LEU  25   2.685   0.439   2.507
  185   HD12  LEU  25          HD12      LEU  25   3.789   1.484   1.609
  186   HD13  LEU  25          HD13      LEU  25   2.647   0.453   0.745
  187   HD21  LEU  25          HD21      LEU  25   0.156   0.994   2.435
  188   HD22  LEU  25          HD22      LEU  25   0.280   0.987   0.677
  189   HD23  LEU  25          HD23      LEU  25  -0.355   2.407   1.508
  190    H    ARG  26           H        ARG  26  -0.295   4.531   5.028
  191    HA   ARG  26           HA       ARG  26   1.757   6.050   6.457
  192    HB2  ARG  26           HB2      ARG  26  -1.170   6.814   6.261
  193    HB3  ARG  26           HB3      ARG  26   0.002   7.577   7.331
  194    HG2  ARG  26           HG2      ARG  26   1.235   8.441   5.492
  195    HG3  ARG  26           HG3      ARG  26   0.300   7.487   4.342
  196    HD2  ARG  26           HD2      ARG  26  -1.724   8.758   5.100
  197    HD3  ARG  26           HD3      ARG  26  -0.632   9.818   5.994
  198    HE   ARG  26           HE       ARG  26   0.416   9.861   3.507
  199   HH11  ARG  26          HH11      ARG  26  -2.819  10.470   4.726
  200   HH12  ARG  26          HH12      ARG  26  -3.247  11.514   3.402
  201   HH21  ARG  26          HH22      ARG  26  -0.120  11.252   1.812
  202   HH22  ARG  26          HH21      ARG  26  -1.717  11.947   1.734
  203    H    ASP  27           H        ASP  27   1.886   5.645   8.575
  204    HA   ASP  27           HA       ASP  27   1.279   3.151   9.521
  205    HB2  ASP  27           HB2      ASP  27   2.971   4.457  10.564
  206    HB3  ASP  27           HB3      ASP  27   1.831   5.724  10.990
  207    H    GLY  28           H        GLY  28  -0.683   2.282   9.589
  208    HA2  GLY  28           HA2      GLY  28  -2.513   1.807  11.007
  209    HA3  GLY  28           HA3      GLY  28  -2.607   3.505  11.438
  210    H    ASP  29           H        ASP  29  -2.276   3.603   8.190
  211    HA   ASP  29           HA       ASP  29  -5.125   3.958   7.815
  212    HB2  ASP  29           HB2      ASP  29  -3.494   5.497   6.726
  213    HB3  ASP  29           HB3      ASP  29  -2.925   4.150   5.743
  214    H    ILE  30           H        ILE  30  -6.411   2.820   6.302
  215    HA   ILE  30           HA       ILE  30  -5.449   0.090   5.831
  216    HB   ILE  30           HB       ILE  30  -8.234   1.205   6.083
  217   HG12  ILE  30          HG12      ILE  30  -8.316  -0.794   7.722
  218   HG13  ILE  30          HG13      ILE  30  -6.563  -0.759   7.602
  219   HG21  ILE  30          HG21      ILE  30  -7.499  -1.574   5.185
  220   HG22  ILE  30          HG22      ILE  30  -8.226  -0.324   4.178
  221   HG23  ILE  30          HG23      ILE  30  -9.126  -0.994   5.538
  222   HD11  ILE  30          HD11      ILE  30  -7.129   0.481   9.520
  223   HD12  ILE  30          HD12      ILE  30  -8.396   1.361   8.666
  224   HD13  ILE  30          HD13      ILE  30  -6.706   1.664   8.282
  225    H    VAL  31           H        VAL  31  -5.384  -0.764   3.842
  226    HA   VAL  31           HA       VAL  31  -6.370   0.888   1.610
  227    HB   VAL  31           HB       VAL  31  -3.676  -0.453   1.822
  228   HG11  VAL  31          HG11      VAL  31  -3.339   0.030  -0.557
  229   HG12  VAL  31          HG12      VAL  31  -5.016   0.563  -0.689
  230   HG13  VAL  31          HG13      VAL  31  -4.652  -1.121  -0.318
  231   HG21  VAL  31          HG21      VAL  31  -2.856   1.738   1.167
  232   HG22  VAL  31          HG22      VAL  31  -3.887   1.870   2.594
  233   HG23  VAL  31          HG23      VAL  31  -4.514   2.321   1.004
  234    H    ASP  32           H        ASP  32  -7.663  -0.143   0.267
  235    HA   ASP  32           HA       ASP  32  -8.120  -2.993   0.606
  236    HB2  ASP  32           HB2      ASP  32  -9.416  -1.136  -1.396
  237    HB3  ASP  32           HB3      ASP  32 -10.015  -2.696  -0.849
  238    H    VAL  33           H        VAL  33  -6.945  -4.416  -0.513
  239    HA   VAL  33           HA       VAL  33  -5.535  -3.532  -2.898
  240    HB   VAL  33           HB       VAL  33  -4.176  -4.768  -1.394
  241   HG11  VAL  33          HG11      VAL  33  -6.427  -6.714  -1.326
  242   HG12  VAL  33          HG12      VAL  33  -5.507  -5.995   0.004
  243   HG13  VAL  33          HG13      VAL  33  -4.782  -7.256  -0.997
  244   HG21  VAL  33          HG21      VAL  33  -4.910  -6.577  -3.687
  245   HG22  VAL  33          HG22      VAL  33  -3.392  -6.601  -2.786
  246   HG23  VAL  33          HG23      VAL  33  -3.811  -5.197  -3.776
  247    H    MET  34           H        MET  34  -6.159  -3.897  -4.858
  248    HA   MET  34           HA       MET  34  -8.441  -5.682  -5.331
  249    HB2  MET  34           HB2      MET  34  -8.860  -4.389  -7.339
  250    HB3  MET  34           HB3      MET  34  -8.728  -3.310  -5.956
  251    HG2  MET  34           HG2      MET  34  -6.700  -2.450  -6.650
  252    HG3  MET  34           HG3      MET  34  -6.338  -3.854  -7.645
  253    HE1  MET  34           HE1      MET  34  -8.322  -3.372 -10.845
  254    HE2  MET  34           HE2      MET  34  -8.720  -4.394  -9.462
  255    HE3  MET  34           HE3      MET  34  -7.044  -4.247  -9.995
  256    H    GLU  35           H        GLU  35  -5.162  -4.935  -6.354
  257    HA   GLU  35           HA       GLU  35  -5.242  -7.299  -8.105
  258    HB2  GLU  35           HB2      GLU  35  -5.183  -5.141  -9.344
  259    HB3  GLU  35           HB3      GLU  35  -3.632  -4.796  -8.589
  260    HG2  GLU  35           HG2      GLU  35  -3.255  -5.656 -10.788
  261    HG3  GLU  35           HG3      GLU  35  -2.741  -6.858  -9.604
  262    H    LYS  36           H        LYS  36  -3.529  -8.633  -8.068
  263    HA   LYS  36           HA       LYS  36  -1.628  -8.165  -5.874
  264    HB2  LYS  36           HB2      LYS  36  -2.606 -10.794  -6.984
  265    HB3  LYS  36           HB3      LYS  36  -1.463 -10.599  -5.663
  266    HG2  LYS  36           HG2      LYS  36  -3.189  -9.502  -4.324
  267    HG3  LYS  36           HG3      LYS  36  -4.330  -9.693  -5.657
  268    HD2  LYS  36           HD2      LYS  36  -3.949 -12.159  -5.536
  269    HD3  LYS  36           HD3      LYS  36  -2.986 -11.883  -4.084
  270    HE2  LYS  36           HE2      LYS  36  -5.881 -11.103  -4.407
  271    HE3  LYS  36           HE3      LYS  36  -5.318 -12.572  -3.613
  272    HZ1  LYS  36           HZ1      LYS  36  -4.931  -9.770  -2.746
  273    HZ2  LYS  36           HZ2      LYS  36  -4.038 -11.058  -2.088
  274    HZ3  LYS  36           HZ3      LYS  36  -5.725 -11.024  -1.924
  275    H    CYS  37           H        CYS  37   0.252  -7.522  -6.687
  276    HA   CYS  37           HA       CYS  37   1.178  -8.360  -9.277
  277    HB2  CYS  37           HB2      CYS  37   1.679  -6.121  -8.407
  278    HB3  CYS  37           HB3      CYS  37   2.592  -6.832  -7.085
  279    HG   CYS  37           HG       CYS  37   4.091  -5.604  -9.320
  280    H    ASP  38           H        ASP  38   3.129  -9.472  -9.647
  281    HA   ASP  38           HA       ASP  38   3.379 -11.807  -7.987
  282    HB2  ASP  38           HB2      ASP  38   3.473 -11.772 -10.527
  283    HB3  ASP  38           HB3      ASP  38   5.080 -11.072 -10.374
  284    H    ASP  39           H        ASP  39   4.921  -8.782  -8.228
  285    HA   ASP  39           HA       ASP  39   7.441  -9.713  -7.132
  286    HB2  ASP  39           HB2      ASP  39   7.238  -7.915  -8.914
  287    HB3  ASP  39           HB3      ASP  39   6.651  -6.846  -7.644
  288    H    GLY  40           H        GLY  40   4.443  -8.741  -5.904
  289    HA2  GLY  40           HA2      GLY  40   4.147  -9.220  -3.546
  290    HA3  GLY  40           HA3      GLY  40   5.730  -8.520  -3.257
  291    H    TRP  41           H        TRP  41   4.957  -6.269  -5.174
  292    HA   TRP  41           HA       TRP  41   3.610  -4.659  -3.162
  293    HB2  TRP  41           HB2      TRP  41   4.235  -3.459  -5.794
  294    HB3  TRP  41           HB3      TRP  41   4.507  -2.830  -4.173
  295    HD1  TRP  41           HD1      TRP  41   6.322  -4.167  -7.055
  296    HE1  TRP  41           HE1      TRP  41   8.747  -4.767  -6.450
  297    HE3  TRP  41           HE3      TRP  41   5.967  -3.997  -1.932
  298    HZ2  TRP  41           HZ2      TRP  41  10.303  -5.103  -4.130
  299    HZ3  TRP  41           HZ3      TRP  41   7.983  -4.474  -0.609
  300    HH2  TRP  41           HH2      TRP  41  10.104  -5.016  -1.686
  301    H    PHE  42           H        PHE  42   1.498  -4.582  -3.126
  302    HA   PHE  42           HA       PHE  42   0.021  -5.685  -5.374
  303    HB2  PHE  42           HB2      PHE  42  -0.912  -5.032  -2.573
  304    HB3  PHE  42           HB3      PHE  42  -1.814  -5.924  -3.792
  305    HD1  PHE  42           HD1      PHE  42   0.142  -7.775  -4.875
  306    HD2  PHE  42           HD2      PHE  42  -0.452  -6.492  -0.858
  307    HE1  PHE  42           HE1      PHE  42   1.120  -9.881  -4.063
  308    HE2  PHE  42           HE2      PHE  42   0.535  -8.592  -0.040
  309    HZ   PHE  42           HZ       PHE  42   1.319 -10.291  -1.642
  310    H    VAL  43           H        VAL  43  -2.201  -4.703  -5.775
  311    HA   VAL  43           HA       VAL  43  -1.879  -1.776  -5.915
  312    HB   VAL  43           HB       VAL  43  -3.009  -3.753  -7.853
  313   HG11  VAL  43          HG11      VAL  43  -3.807  -0.841  -7.845
  314   HG12  VAL  43          HG12      VAL  43  -4.872  -2.151  -7.337
  315   HG13  VAL  43          HG13      VAL  43  -4.295  -2.077  -9.005
  316   HG21  VAL  43          HG21      VAL  43  -1.819  -2.332  -9.425
  317   HG22  VAL  43          HG22      VAL  43  -0.756  -2.812  -8.094
  318   HG23  VAL  43          HG23      VAL  43  -1.476  -1.200  -8.116
  319    H    GLY  44           H        GLY  44  -3.388  -0.497  -5.045
  320    HA2  GLY  44           HA2      GLY  44  -6.066  -1.373  -4.581
  321    HA3  GLY  44           HA3      GLY  44  -5.127  -1.392  -3.100
  322    H    THR  45           H        THR  45  -6.679   0.149  -2.341
  323    HA   THR  45           HA       THR  45  -6.215   2.885  -3.303
  324    HB   THR  45           HB       THR  45  -8.869   1.574  -2.745
  325    HG1  THR  45           HG1      THR  45  -7.409   2.093  -5.000
  326   HG21  THR  45          HG21      THR  45  -9.864   3.740  -3.422
  327   HG22  THR  45          HG22      THR  45  -8.248   4.446  -3.383
  328   HG23  THR  45          HG23      THR  45  -8.973   3.820  -1.903
  329    H    SER  46           H        SER  46  -6.280   4.471  -1.723
  330    HA   SER  46           HA       SER  46  -5.865   3.649   0.991
  331    HB2  SER  46           HB2      SER  46  -4.740   5.644   0.040
  332    HB3  SER  46           HB3      SER  46  -6.304   6.416  -0.171
  333    HG   SER  46           HG       SER  46  -5.172   5.616   2.329
  334    H    ARG  47           H        ARG  47  -7.305   3.620   2.652
  335    HA   ARG  47           HA       ARG  47 -10.078   3.552   2.040
  336    HB2  ARG  47           HB2      ARG  47  -8.859   2.234   3.836
  337    HB3  ARG  47           HB3      ARG  47  -8.833   3.708   4.782
  338    HG2  ARG  47           HG2      ARG  47 -11.279   3.750   4.767
  339    HG3  ARG  47           HG3      ARG  47 -11.285   2.236   3.855
  340    HD2  ARG  47           HD2      ARG  47 -10.063   1.146   5.670
  341    HD3  ARG  47           HD3      ARG  47 -10.072   2.658   6.570
  342    HE   ARG  47           HE       ARG  47 -12.584   1.319   5.813
  343   HH11  ARG  47          HH11      ARG  47 -10.449   2.669   8.245
  344   HH12  ARG  47          HH12      ARG  47 -11.587   2.464   9.538
  345   HH21  ARG  47          HH22      ARG  47 -14.089   1.054   7.505
  346   HH22  ARG  47          HH21      ARG  47 -13.679   1.566   9.115
  347    H    ARG  48           H        ARG  48  -7.967   6.037   3.237
  348    HA   ARG  48           HA       ARG  48 -10.155   7.599   4.296
  349    HB2  ARG  48           HB2      ARG  48  -8.108   9.315   4.430
  350    HB3  ARG  48           HB3      ARG  48  -8.462   8.122   5.677
  351    HG2  ARG  48           HG2      ARG  48  -6.888   6.617   4.522
  352    HG3  ARG  48           HG3      ARG  48  -6.446   7.961   3.463
  353    HD2  ARG  48           HD2      ARG  48  -4.834   8.051   5.152
  354    HD3  ARG  48           HD3      ARG  48  -6.037   9.243   5.654
  355    HE   ARG  48           HE       ARG  48  -6.355   6.554   6.712
  356   HH11  ARG  48          HH11      ARG  48  -5.177   9.812   7.256
  357   HH12  ARG  48          HH12      ARG  48  -5.121   9.634   8.983
  358   HH21  ARG  48          HH22      ARG  48  -6.290   6.337   8.993
  359   HH22  ARG  48          HH21      ARG  48  -5.753   7.670   9.961
  360    H    THR  49           H        THR  49  -7.702   8.013   1.792
  361    HA   THR  49           HA       THR  49  -9.144  10.353   0.826
  362    HB   THR  49           HB       THR  49  -7.087  11.173   0.647
  363    HG1  THR  49           HG1      THR  49  -5.831  10.449  -1.160
  364   HG21  THR  49          HG21      THR  49  -5.060   9.919   1.009
  365   HG22  THR  49          HG22      THR  49  -5.932   8.410   0.777
  366   HG23  THR  49          HG23      THR  49  -6.288   9.420   2.175
  367    H    LYS  50           H        LYS  50  -8.856   7.096   0.126
  368    HA   LYS  50           HA       LYS  50  -9.535   5.743  -1.535
  369    HB2  LYS  50           HB2      LYS  50 -11.157   8.095  -2.517
  370    HB3  LYS  50           HB3      LYS  50 -11.411   6.405  -2.918
  371    HG2  LYS  50           HG2      LYS  50 -11.956   7.836  -0.354
  372    HG3  LYS  50           HG3      LYS  50 -13.051   6.877  -1.343
  373    HD2  LYS  50           HD2      LYS  50 -10.804   5.883   0.410
  374    HD3  LYS  50           HD3      LYS  50 -12.531   5.664   0.669
  375    HE2  LYS  50           HE2      LYS  50 -10.950   4.509  -1.624
  376    HE3  LYS  50           HE3      LYS  50 -11.403   3.635  -0.168
  377    HZ1  LYS  50           HZ1      LYS  50 -13.748   4.043  -0.747
  378    HZ2  LYS  50           HZ2      LYS  50 -12.932   3.102  -1.897
  379    HZ3  LYS  50           HZ3      LYS  50 -13.255   4.738  -2.217
  380    H    GLN  51           H        GLN  51  -7.133   7.174  -1.888
  381    HA   GLN  51           HA       GLN  51  -6.956   7.789  -4.703
  382    HB2  GLN  51           HB2      GLN  51  -4.425   7.877  -4.073
  383    HB3  GLN  51           HB3      GLN  51  -5.497   9.158  -3.531
  384    HG2  GLN  51           HG2      GLN  51  -5.652   8.064  -1.338
  385    HG3  GLN  51           HG3      GLN  51  -4.542   6.814  -1.896
  386   HE21  GLN  51          HE22      GLN  51  -3.016   7.309  -0.317
  387   HE22  GLN  51          HE21      GLN  51  -2.059   8.748  -0.383
  388    H    PHE  52           H        PHE  52  -5.686   6.576  -6.176
  389    HA   PHE  52           HA       PHE  52  -5.659   3.723  -5.465
  390    HB2  PHE  52           HB2      PHE  52  -7.591   4.089  -6.810
  391    HB3  PHE  52           HB3      PHE  52  -6.698   5.084  -7.950
  392    HD1  PHE  52           HD2      PHE  52  -6.565   1.609  -6.563
  393    HD2  PHE  52           HD1      PHE  52  -6.186   4.148  -9.958
  394    HE1  PHE  52           HE2      PHE  52  -6.193  -0.356  -7.987
  395    HE2  PHE  52           HE1      PHE  52  -5.804   2.185 -11.388
  396    HZ   PHE  52           HZ       PHE  52  -5.807  -0.073 -10.403
  397    H    GLY  53           H        GLY  53  -4.016   2.481  -6.173
  398    HA2  GLY  53           HA2      GLY  53  -2.370   2.870  -8.358
  399    HA3  GLY  53           HA3      GLY  53  -1.579   3.694  -7.018
  400    H    THR  54           H        THR  54   0.134   2.225  -7.163
  401    HA   THR  54           HA       THR  54  -0.475  -0.479  -6.191
  402    HB   THR  54           HB       THR  54   0.808  -0.610  -8.181
  403    HG1  THR  54           HG1      THR  54   2.580  -0.894  -5.971
  404   HG21  THR  54          HG21      THR  54   3.160   0.560  -8.127
  405   HG22  THR  54          HG22      THR  54   2.350   1.648  -6.996
  406   HG23  THR  54          HG23      THR  54   1.721   1.447  -8.635
  407    H    PHE  55           H        PHE  55   0.430  -1.206  -4.293
  408    HA   PHE  55           HA       PHE  55   2.106   0.679  -2.824
  409    HB2  PHE  55           HB2      PHE  55   0.782   0.511  -0.813
  410    HB3  PHE  55           HB3      PHE  55  -0.257   1.046  -2.123
  411    HD1  PHE  55           HD1      PHE  55  -1.693  -0.723  -3.275
  412    HD2  PHE  55           HD2      PHE  55   0.221  -1.342   0.467
  413    HE1  PHE  55           HE1      PHE  55  -3.250  -2.567  -2.792
  414    HE2  PHE  55           HE2      PHE  55  -1.326  -3.188   0.960
  415    HZ   PHE  55           HZ       PHE  55  -3.065  -3.805  -0.672
  416    HA   PRO  56           HA       PRO  56   4.455  -2.970  -2.026
  417    HB2  PRO  56           HB3      PRO  56   5.343  -1.432   0.351
  418    HB3  PRO  56           HB2      PRO  56   6.304  -2.160  -0.941
  419    HG2  PRO  56           HG2      PRO  56   5.953   0.483  -0.814
  420    HG3  PRO  56           HG3      PRO  56   5.981  -0.364  -2.371
  421    HD2  PRO  56           HD2      PRO  56   3.641   0.679  -0.824
  422    HD3  PRO  56           HD3      PRO  56   3.925   0.683  -2.577
  423    H    GLY  57           H        GLY  57   3.343  -4.675  -1.252
  424    HA2  GLY  57           HA2      GLY  57   1.585  -4.613   0.965
  425    HA3  GLY  57           HA3      GLY  57   2.227  -6.062   0.202
  426    H    ASN  58           H        ASN  58   4.861  -4.454   0.850
  427    HA   ASN  58           HA       ASN  58   5.723  -6.063   2.985
  428    HB2  ASN  58           HB2      ASN  58   7.060  -4.896   1.106
  429    HB3  ASN  58           HB3      ASN  58   7.026  -3.482   2.157
  430   HD21  ASN  58          HD22      ASN  58   8.274  -6.659   1.666
  431   HD22  ASN  58          HD21      ASN  58   9.457  -6.613   2.937
  432    H    TYR  59           H        TYR  59   4.052  -3.044   2.888
  433    HA   TYR  59           HA       TYR  59   4.726  -2.526   5.719
  434    HB2  TYR  59           HB2      TYR  59   3.847  -0.499   3.661
  435    HB3  TYR  59           HB3      TYR  59   4.348  -0.167   5.311
  436    HD1  TYR  59           HD2      TYR  59   6.783  -0.696   5.929
  437    HD2  TYR  59           HD1      TYR  59   5.373  -0.508   1.925
  438    HE1  TYR  59           HE2      TYR  59   9.089  -0.374   5.140
  439    HE2  TYR  59           HE1      TYR  59   7.662  -0.183   1.121
  440    HH   TYR  59           HH       TYR  59  10.399  -0.680   3.128
  441    H    VAL  60           H        VAL  60   2.490  -4.144   4.534
  442    HA   VAL  60           HA       VAL  60   0.379  -2.809   6.021
  443    HB   VAL  60           HB       VAL  60  -1.330  -3.413   4.297
  444   HG11  VAL  60          HG11      VAL  60   0.736  -1.511   3.207
  445   HG12  VAL  60          HG12      VAL  60  -0.329  -1.114   4.557
  446   HG13  VAL  60          HG13      VAL  60  -1.011  -1.470   2.966
  447   HG21  VAL  60          HG21      VAL  60   1.126  -4.027   2.675
  448   HG22  VAL  60          HG22      VAL  60  -0.448  -3.683   1.954
  449   HG23  VAL  60          HG23      VAL  60  -0.257  -5.065   3.023
  450    H    LYS  61           H        LYS  61  -1.338  -4.299   6.627
  451    HA   LYS  61           HA       LYS  61  -0.263  -7.022   6.880
  452    HB2  LYS  61           HB2      LYS  61  -0.957  -7.038   9.203
  453    HB3  LYS  61           HB3      LYS  61   0.167  -5.729   8.891
  454    HG2  LYS  61           HG2      LYS  61  -2.049  -4.332   8.596
  455    HG3  LYS  61           HG3      LYS  61  -2.723  -5.631   9.586
  456    HD2  LYS  61           HD2      LYS  61  -0.533  -3.693  10.265
  457    HD3  LYS  61           HD3      LYS  61  -2.054  -3.976  11.113
  458    HE2  LYS  61           HE2      LYS  61   0.225  -5.941  10.897
  459    HE3  LYS  61           HE3      LYS  61  -0.110  -4.920  12.299
  460    HZ1  LYS  61           HZ1      LYS  61  -2.287  -6.021  12.489
  461    HZ2  LYS  61           HZ2      LYS  61  -0.993  -7.100  12.673
  462    HZ3  LYS  61           HZ3      LYS  61  -1.867  -7.063  11.221
  463    HA   PRO  62           HA       PRO  62  -4.141  -8.364   5.333
  464    HB2  PRO  62           HB3      PRO  62  -3.717 -10.815   6.913
  465    HB3  PRO  62           HB2      PRO  62  -3.873 -10.618   5.167
  466    HG2  PRO  62           HG2      PRO  62  -1.518 -11.192   6.303
  467    HG3  PRO  62           HG3      PRO  62  -1.635 -10.131   4.888
  468    HD2  PRO  62           HD2      PRO  62  -1.254  -9.417   7.767
  469    HD3  PRO  62           HD3      PRO  62  -0.498  -8.718   6.320
  470    H    LEU  63           H        LEU  63  -5.961  -7.551   6.097
  471    HA   LEU  63           HA       LEU  63  -6.714  -8.011   8.899
  472    HB2  LEU  63           HB2      LEU  63  -7.864  -6.115   6.845
  473    HB3  LEU  63           HB3      LEU  63  -8.379  -6.235   8.514
  474    HG   LEU  63           HG       LEU  63  -5.657  -5.325   7.587
  475   HD11  LEU  63          HD11      LEU  63  -7.931  -3.774   8.806
  476   HD12  LEU  63          HD12      LEU  63  -7.501  -3.772   7.098
  477   HD13  LEU  63          HD13      LEU  63  -6.370  -3.133   8.291
  478   HD21  LEU  63          HD21      LEU  63  -5.613  -6.480   9.761
  479   HD22  LEU  63          HD22      LEU  63  -6.862  -5.384  10.353
  480   HD23  LEU  63          HD23      LEU  63  -5.271  -4.757   9.917
  481    H    TYR  64           H        TYR  64  -9.449  -7.645   8.594
  482    HA   TYR  64           HA       TYR  64 -10.284  -9.902   6.915
  483    HB2  TYR  64           HB2      TYR  64 -12.054 -10.188   8.862
  484    HB3  TYR  64           HB3      TYR  64 -10.463 -10.932   8.971
  485    HD1  TYR  64           HD1      TYR  64 -12.354  -7.884  10.001
  486    HD2  TYR  64           HD2      TYR  64  -9.088 -10.495  10.794
  487    HE1  TYR  64           HE1      TYR  64 -11.939  -6.713  12.123
  488    HE2  TYR  64           HE2      TYR  64  -8.662  -9.328  12.915
  489    HH   TYR  64           HH       TYR  64  -9.084  -7.096  13.902
  490    H    LEU  65           H        LEU  65 -12.146  -9.636   5.803
  491    HA   LEU  65           HA       LEU  65 -13.905  -7.403   6.403
  492    HB2  LEU  65           HB2      LEU  65 -12.152  -6.479   4.895
  493    HB3  LEU  65           HB3      LEU  65 -12.582  -7.686   3.699
  494    HG   LEU  65           HG       LEU  65 -14.865  -6.699   3.586
  495   HD11  LEU  65          HD11      LEU  65 -15.228  -4.478   4.537
  496   HD12  LEU  65          HD12      LEU  65 -13.656  -4.559   5.329
  497   HD13  LEU  65          HD13      LEU  65 -14.937  -5.679   5.794
  498   HD21  LEU  65          HD21      LEU  65 -13.140  -6.102   1.964
  499   HD22  LEU  65          HD22      LEU  65 -12.596  -4.798   3.017
  500   HD23  LEU  65          HD23      LEU  65 -14.206  -4.738   2.299
  Start of MODEL    5
    1    H1   GLN   1           H1       GLN   1 -15.231  -8.841  -5.262
    2    H2   GLN   1           H2       GLN   1 -15.112  -7.914  -6.678
    3    H3   GLN   1           H3       GLN   1 -15.429  -9.577  -6.778
    4    HA   GLN   1           HA       GLN   1 -17.404  -8.230  -7.167
    5    HB2  GLN   1           HB2      GLN   1 -17.476 -10.534  -6.161
    6    HB3  GLN   1           HB3      GLN   1 -17.528  -9.790  -4.571
    7    HG2  GLN   1           HG2      GLN   1 -19.577  -8.953  -6.540
    8    HG3  GLN   1           HG3      GLN   1 -19.703 -10.576  -5.866
    9   HE21  GLN   1          HE22      GLN   1 -21.439  -8.241  -5.537
   10   HE22  GLN   1          HE21      GLN   1 -21.524  -7.967  -3.827
   11    H    THR   2           H        THR   2 -17.401  -6.095  -6.962
   12    HA   THR   2           HA       THR   2 -17.334  -4.010  -6.173
   13    HB   THR   2           HB       THR   2 -19.656  -4.514  -5.752
   14    HG1  THR   2           HG1      THR   2 -19.632  -2.996  -3.648
   15   HG21  THR   2          HG21      THR   2 -18.847  -5.226  -2.929
   16   HG22  THR   2          HG22      THR   2 -19.477  -6.342  -4.140
   17   HG23  THR   2          HG23      THR   2 -20.501  -5.049  -3.515
   18    H    SER   3           H        SER   3 -17.297  -5.760  -3.027
   19    HA   SER   3           HA       SER   3 -14.784  -4.543  -2.313
   20    HB2  SER   3           HB2      SER   3 -17.306  -3.732  -0.821
   21    HB3  SER   3           HB3      SER   3 -15.660  -3.259  -0.404
   22    HG   SER   3           HG       SER   3 -15.894  -2.561  -2.878
   23    H    GLN   4           H        GLN   4 -15.180  -4.845   0.534
   24    HA   GLN   4           HA       GLN   4 -15.244  -6.333   2.214
   25    HB2  GLN   4           HB2      GLN   4 -17.573  -6.657   1.656
   26    HB3  GLN   4           HB3      GLN   4 -17.153  -7.783   0.374
   27    HG2  GLN   4           HG2      GLN   4 -17.936  -9.065   2.189
   28    HG3  GLN   4           HG3      GLN   4 -16.187  -9.273   2.110
   29   HE21  GLN   4          HE22      GLN   4 -18.000  -9.692   4.325
   30   HE22  GLN   4          HE21      GLN   4 -17.468  -8.663   5.609
   31    H    ASP   5           H        ASP   5 -15.741  -9.093   0.190
   32    HA   ASP   5           HA       ASP   5 -13.230 -10.228   0.946
   33    HB2  ASP   5           HB2      ASP   5 -15.348 -11.199  -0.984
   34    HB3  ASP   5           HB3      ASP   5 -13.947 -12.137  -0.484
   35    H    LEU   6           H        LEU   6 -12.227  -8.169  -0.173
   36    HA   LEU   6           HA       LEU   6 -11.327  -9.088  -2.821
   37    HB2  LEU   6           HB2      LEU   6 -12.704  -7.037  -2.917
   38    HB3  LEU   6           HB3      LEU   6 -11.568  -6.248  -1.842
   39    HG   LEU   6           HG       LEU   6  -9.811  -6.433  -3.551
   40   HD11  LEU   6          HD11      LEU   6 -10.375  -7.170  -5.814
   41   HD12  LEU   6          HD12      LEU   6 -11.986  -7.631  -5.261
   42   HD13  LEU   6          HD13      LEU   6 -10.566  -8.473  -4.642
   43   HD21  LEU   6          HD21      LEU   6 -11.184  -4.430  -3.496
   44   HD22  LEU   6          HD22      LEU   6 -12.372  -5.194  -4.550
   45   HD23  LEU   6          HD23      LEU   6 -10.756  -4.838  -5.157
   46    H    PHE   7           H        PHE   7 -10.558  -8.711   0.315
   47    HA   PHE   7           HA       PHE   7  -8.638  -9.025   1.480
   48    HB2  PHE   7           HB2      PHE   7  -7.685  -9.589  -1.070
   49    HB3  PHE   7           HB3      PHE   7  -6.621  -8.305  -0.493
   50    HD1  PHE   7           HD2      PHE   7  -6.686  -9.004   2.445
   51    HD2  PHE   7           HD1      PHE   7  -6.217 -11.411  -1.033
   52    HE1  PHE   7           HE2      PHE   7  -5.429 -10.658   3.763
   53    HE2  PHE   7           HE1      PHE   7  -4.964 -13.070   0.280
   54    HZ   PHE   7           HZ       PHE   7  -4.567 -12.694   2.681
   55    H    SER   8           H        SER   8  -8.522  -7.463   2.879
   56    HA   SER   8           HA       SER   8  -7.555  -4.829   1.958
   57    HB2  SER   8           HB2      SER   8  -9.292  -5.456   4.362
   58    HB3  SER   8           HB3      SER   8  -8.740  -3.854   3.881
   59    HG   SER   8           HG       SER   8  -9.873  -4.741   1.742
   60    H    TYR   9           H        TYR   9  -5.782  -3.960   2.966
   61    HA   TYR   9           HA       TYR   9  -4.673  -5.490   5.237
   62    HB2  TYR   9           HB2      TYR   9  -3.089  -3.839   3.265
   63    HB3  TYR   9           HB3      TYR   9  -2.448  -4.843   4.553
   64    HD1  TYR   9           HD2      TYR   9  -4.084  -7.337   4.116
   65    HD2  TYR   9           HD1      TYR   9  -2.126  -4.737   1.400
   66    HE1  TYR   9           HE2      TYR   9  -3.859  -9.187   2.510
   67    HE2  TYR   9           HE1      TYR   9  -1.900  -6.569  -0.218
   68    HH   TYR   9           HH       TYR   9  -3.560  -9.510   0.105
   69    H    GLN  10           H        GLN  10  -3.622  -4.275   6.879
   70    HA   GLN  10           HA       GLN  10  -4.316  -1.415   6.873
   71    HB2  GLN  10           HB2      GLN  10  -5.214  -2.784   8.775
   72    HB3  GLN  10           HB3      GLN  10  -3.551  -3.085   9.273
   73    HG2  GLN  10           HG2      GLN  10  -3.217  -0.643   9.450
   74    HG3  GLN  10           HG3      GLN  10  -4.923  -0.418   9.084
   75   HE21  GLN  10          HE22      GLN  10  -3.358   0.301  11.442
   76   HE22  GLN  10          HE21      GLN  10  -4.175  -0.419  12.781
   77    H    ALA  11           H        ALA  11  -2.748   0.063   6.966
   78    HA   ALA  11           HA       ALA  11  -0.116  -0.752   6.246
   79    HB1  ALA  11           HB1      ALA  11   0.358   1.649   6.205
   80    HB2  ALA  11           HB2      ALA  11  -1.203   1.958   6.977
   81    HB3  ALA  11           HB3      ALA  11  -1.140   1.265   5.353
   82    H    LEU  12           H        LEU  12   1.606  -1.000   7.409
   83    HA   LEU  12           HA       LEU  12   1.527  -0.775  10.292
   84    HB2  LEU  12           HB2      LEU  12   3.581  -1.763   8.323
   85    HB3  LEU  12           HB3      LEU  12   3.860  -1.731  10.052
   86    HG   LEU  12           HG       LEU  12   1.394  -3.099   9.230
   87   HD11  LEU  12          HD11      LEU  12   4.104  -4.144   8.453
   88   HD12  LEU  12          HD12      LEU  12   2.709  -3.853   7.405
   89   HD13  LEU  12          HD13      LEU  12   2.665  -5.154   8.599
   90   HD21  LEU  12          HD21      LEU  12   3.694  -3.854  11.027
   91   HD22  LEU  12          HD22      LEU  12   2.146  -4.692  10.911
   92   HD23  LEU  12          HD23      LEU  12   2.213  -3.045  11.539
   93    H    TYR  13           H        TYR  13   2.739   1.039   7.616
   94    HA   TYR  13           HA       TYR  13   4.129   2.879   9.440
   95    HB2  TYR  13           HB2      TYR  13   5.285   1.912   6.814
   96    HB3  TYR  13           HB3      TYR  13   6.019   3.072   7.906
   97    HD1  TYR  13           HD1      TYR  13   5.268  -0.476   7.351
   98    HD2  TYR  13           HD2      TYR  13   7.202   2.347   9.874
   99    HE1  TYR  13           HE1      TYR  13   6.526  -2.299   8.413
  100    HE2  TYR  13           HE2      TYR  13   8.460   0.531  10.948
  101    HH   TYR  13           HH       TYR  13   8.575  -2.636   9.648
  102    H    SER  14           H        SER  14   4.623   4.962   8.386
  103    HA   SER  14           HA       SER  14   2.646   5.670   6.341
  104    HB2  SER  14           HB2      SER  14   4.459   7.469   7.977
  105    HB3  SER  14           HB3      SER  14   3.169   7.994   6.894
  106    HG   SER  14           HG       SER  14   3.015   7.235   9.472
  107    H    TYR  15           H        TYR  15   3.308   5.624   4.288
  108    HA   TYR  15           HA       TYR  15   6.196   5.926   3.753
  109    HB2  TYR  15           HB2      TYR  15   5.485   3.554   3.626
  110    HB3  TYR  15           HB3      TYR  15   4.305   3.988   2.403
  111    HD1  TYR  15           HD2      TYR  15   7.944   3.867   3.101
  112    HD2  TYR  15           HD1      TYR  15   4.900   4.125   0.142
  113    HE1  TYR  15           HE2      TYR  15   9.627   3.512   1.346
  114    HE2  TYR  15           HE1      TYR  15   6.572   3.766  -1.619
  115    HH   TYR  15           HH       TYR  15   9.708   2.669  -0.982
  116    H    ILE  16           H        ILE  16   6.754   7.227   2.175
  117    HA   ILE  16           HA       ILE  16   4.627   8.501   0.612
  118    HB   ILE  16           HB       ILE  16   7.446   9.416   1.200
  119   HG12  ILE  16          HG12      ILE  16   5.989   9.611   3.134
  120   HG13  ILE  16          HG13      ILE  16   6.315  11.213   2.482
  121   HG21  ILE  16          HG21      ILE  16   5.262  10.821  -0.341
  122   HG22  ILE  16          HG22      ILE  16   6.741  10.143  -1.022
  123   HG23  ILE  16          HG23      ILE  16   6.828  11.512   0.087
  124   HD11  ILE  16          HD11      ILE  16   4.139  11.238   1.415
  125   HD12  ILE  16          HD12      ILE  16   3.988  10.954   3.149
  126   HD13  ILE  16          HD13      ILE  16   3.811   9.612   2.017
  127    HA   PRO  17           HA       PRO  17   6.090   5.842  -2.683
  128    HB2  PRO  17           HB3      PRO  17   4.215   7.499  -4.256
  129    HB3  PRO  17           HB2      PRO  17   4.258   5.746  -4.040
  130    HG2  PRO  17           HG2      PRO  17   2.384   7.235  -2.867
  131    HG3  PRO  17           HG3      PRO  17   3.097   5.837  -2.041
  132    HD2  PRO  17           HD2      PRO  17   3.666   8.753  -1.668
  133    HD3  PRO  17           HD3      PRO  17   3.506   7.466  -0.454
  134    H    GLN  18           H        GLN  18   7.351   6.023  -4.491
  135    HA   GLN  18           HA       GLN  18   8.518   8.667  -4.928
  136    HB2  GLN  18           HB2      GLN  18   9.507   5.946  -5.795
  137    HB3  GLN  18           HB3      GLN  18  10.373   7.465  -5.989
  138    HG2  GLN  18           HG2      GLN  18   9.644   6.144  -3.383
  139    HG3  GLN  18           HG3      GLN  18  11.249   6.213  -4.113
  140   HE21  GLN  18          HE22      GLN  18  12.346   8.204  -4.162
  141   HE22  GLN  18          HE21      GLN  18  11.926   9.488  -3.075
  142    H    ASN  19           H        ASN  19   6.443   6.390  -6.235
  143    HA   ASN  19           HA       ASN  19   6.371   7.853  -8.795
  144    HB2  ASN  19           HB2      ASN  19   5.742   4.979  -8.124
  145    HB3  ASN  19           HB3      ASN  19   5.212   5.731  -9.627
  146   HD21  ASN  19          HD22      ASN  19   6.960   3.477  -9.254
  147   HD22  ASN  19          HD21      ASN  19   8.472   3.894  -9.979
  148    H    ASP  20           H        ASP  20   4.365   8.603  -9.467
  149    HA   ASP  20           HA       ASP  20   2.305   8.768  -7.453
  150    HB2  ASP  20           HB2      ASP  20   1.086  10.141  -9.085
  151    HB3  ASP  20           HB3      ASP  20   2.746  10.696  -8.902
  152    H    ASP  21           H        ASP  21   3.215   6.515  -9.657
  153    HA   ASP  21           HA       ASP  21   0.662   5.328 -10.206
  154    HB2  ASP  21           HB2      ASP  21   2.482   4.837 -11.699
  155    HB3  ASP  21           HB3      ASP  21   3.515   4.329 -10.370
  156    H    GLU  22           H        GLU  22   2.711   5.574  -7.522
  157    HA   GLU  22           HA       GLU  22   1.776   3.106  -6.280
  158    HB2  GLU  22           HB2      GLU  22   3.841   5.147  -5.471
  159    HB3  GLU  22           HB3      GLU  22   3.360   3.807  -4.439
  160    HG2  GLU  22           HG2      GLU  22   4.202   2.213  -5.963
  161    HG3  GLU  22           HG3      GLU  22   4.438   3.425  -7.215
  162    H    LEU  23           H        LEU  23   1.186   3.256  -3.937
  163    HA   LEU  23           HA       LEU  23  -0.819   5.381  -3.649
  164    HB2  LEU  23           HB2      LEU  23  -1.435   2.873  -3.714
  165    HB3  LEU  23           HB3      LEU  23  -0.744   2.795  -2.111
  166    HG   LEU  23           HG       LEU  23  -3.325   3.118  -2.400
  167   HD11  LEU  23          HD11      LEU  23  -3.428   4.336  -0.306
  168   HD12  LEU  23          HD12      LEU  23  -1.740   4.812  -0.488
  169   HD13  LEU  23          HD13      LEU  23  -2.158   3.113  -0.262
  170   HD21  LEU  23          HD21      LEU  23  -3.139   5.013  -3.930
  171   HD22  LEU  23          HD22      LEU  23  -2.321   5.943  -2.676
  172   HD23  LEU  23          HD23      LEU  23  -4.006   5.460  -2.460
  173    H    GLU  24           H        GLU  24  -0.877   6.662  -1.875
  174    HA   GLU  24           HA       GLU  24   1.479   6.827  -0.255
  175    HB2  GLU  24           HB2      GLU  24  -1.000   8.423  -0.593
  176    HB3  GLU  24           HB3      GLU  24  -0.132   8.589   0.929
  177    HG2  GLU  24           HG2      GLU  24   1.881   9.181  -0.255
  178    HG3  GLU  24           HG3      GLU  24   1.053   8.982  -1.803
  179    H    LEU  25           H        LEU  25   1.842   5.897   1.589
  180    HA   LEU  25           HA       LEU  25  -0.398   4.486   2.873
  181    HB2  LEU  25           HB2      LEU  25   2.568   3.981   3.081
  182    HB3  LEU  25           HB3      LEU  25   1.318   3.040   3.869
  183    HG   LEU  25           HG       LEU  25   1.602   3.293   0.876
  184   HD11  LEU  25          HD11      LEU  25   2.494   1.091   2.729
  185   HD12  LEU  25          HD12      LEU  25   3.535   2.160   1.783
  186   HD13  LEU  25          HD13      LEU  25   2.480   1.005   0.966
  187   HD21  LEU  25          HD21      LEU  25   0.058   1.416   0.815
  188   HD22  LEU  25          HD22      LEU  25  -0.662   2.787   1.661
  189   HD23  LEU  25          HD23      LEU  25  -0.034   1.418   2.577
  190    H    ARG  26           H        ARG  26  -0.837   4.771   5.024
  191    HA   ARG  26           HA       ARG  26   1.033   6.406   6.584
  192    HB2  ARG  26           HB2      ARG  26  -0.914   7.831   5.901
  193    HB3  ARG  26           HB3      ARG  26  -1.968   6.695   6.735
  194    HG2  ARG  26           HG2      ARG  26  -0.845   7.170   8.833
  195    HG3  ARG  26           HG3      ARG  26   0.232   8.298   8.004
  196    HD2  ARG  26           HD2      ARG  26  -1.777   9.580   7.302
  197    HD3  ARG  26           HD3      ARG  26  -2.751   8.529   8.333
  198    HE   ARG  26           HE       ARG  26  -0.507  10.031   9.496
  199   HH11  ARG  26          HH11      ARG  26  -3.943   9.370   9.311
  200   HH12  ARG  26          HH12      ARG  26  -4.338  10.321  10.713
  201   HH21  ARG  26          HH22      ARG  26  -1.011  11.269  11.341
  202   HH22  ARG  26          HH21      ARG  26  -2.667  11.405  11.865
  203    H    ASP  27           H        ASP  27   1.249   5.828   8.678
  204    HA   ASP  27           HA       ASP  27   0.889   3.189   9.430
  205    HB2  ASP  27           HB2      ASP  27   2.472   4.775  10.494
  206    HB3  ASP  27           HB3      ASP  27   1.120   5.591  11.259
  207    H    GLY  28           H        GLY  28  -0.998   2.194   9.494
  208    HA2  GLY  28           HA2      GLY  28  -2.832   1.574  10.839
  209    HA3  GLY  28           HA3      GLY  28  -3.019   3.246  11.340
  210    H    ASP  29           H        ASP  29  -2.581   3.538   8.138
  211    HA   ASP  29           HA       ASP  29  -5.410   3.787   7.629
  212    HB2  ASP  29           HB2      ASP  29  -3.776   5.380   6.645
  213    HB3  ASP  29           HB3      ASP  29  -3.098   4.066   5.691
  214    H    ILE  30           H        ILE  30  -6.638   2.529   6.225
  215    HA   ILE  30           HA       ILE  30  -5.523  -0.138   5.771
  216    HB   ILE  30           HB       ILE  30  -8.359   0.846   5.944
  217   HG12  ILE  30          HG12      ILE  30  -8.410  -1.139   7.581
  218   HG13  ILE  30          HG13      ILE  30  -6.659  -1.111   7.464
  219   HG21  ILE  30          HG21      ILE  30  -7.513  -1.908   5.066
  220   HG22  ILE  30          HG22      ILE  30  -8.198  -0.671   4.012
  221   HG23  ILE  30          HG23      ILE  30  -9.167  -1.346   5.323
  222   HD11  ILE  30          HD11      ILE  30  -7.526   0.072   9.433
  223   HD12  ILE  30          HD12      ILE  30  -8.356   1.203   8.363
  224   HD13  ILE  30          HD13      ILE  30  -6.595   1.115   8.362
  225    H    VAL  31           H        VAL  31  -5.240  -0.947   3.812
  226    HA   VAL  31           HA       VAL  31  -6.232   0.636   1.544
  227    HB   VAL  31           HB       VAL  31  -3.523  -0.659   1.813
  228   HG11  VAL  31          HG11      VAL  31  -3.165  -0.021  -0.558
  229   HG12  VAL  31          HG12      VAL  31  -4.884   0.365  -0.682
  230   HG13  VAL  31          HG13      VAL  31  -4.373  -1.292  -0.359
  231   HG21  VAL  31          HG21      VAL  31  -2.711   1.557   1.277
  232   HG22  VAL  31          HG22      VAL  31  -3.811   1.646   2.654
  233   HG23  VAL  31          HG23      VAL  31  -4.365   2.131   1.047
  234    H    ASP  32           H        ASP  32  -7.563  -0.389   0.349
  235    HA   ASP  32           HA       ASP  32  -7.905  -3.264   0.575
  236    HB2  ASP  32           HB2      ASP  32  -9.799  -1.557   0.510
  237    HB3  ASP  32           HB3      ASP  32  -9.388  -1.315  -1.189
  238    H    VAL  33           H        VAL  33  -6.781  -4.582  -0.719
  239    HA   VAL  33           HA       VAL  33  -5.550  -3.477  -3.113
  240    HB   VAL  33           HB       VAL  33  -3.996  -4.711  -1.856
  241   HG11  VAL  33          HG11      VAL  33  -6.191  -6.669  -1.459
  242   HG12  VAL  33          HG12      VAL  33  -5.060  -5.969  -0.288
  243   HG13  VAL  33          HG13      VAL  33  -4.519  -7.226  -1.402
  244   HG21  VAL  33          HG21      VAL  33  -4.948  -6.627  -3.966
  245   HG22  VAL  33          HG22      VAL  33  -3.316  -6.498  -3.306
  246   HG23  VAL  33          HG23      VAL  33  -3.987  -5.180  -4.273
  247    H    MET  34           H        MET  34  -6.354  -3.699  -5.038
  248    HA   MET  34           HA       MET  34  -8.642  -5.449  -5.421
  249    HB2  MET  34           HB2      MET  34  -9.050  -4.249  -7.469
  250    HB3  MET  34           HB3      MET  34  -8.760  -3.094  -6.173
  251    HG2  MET  34           HG2      MET  34  -6.778  -2.397  -7.043
  252    HG3  MET  34           HG3      MET  34  -6.459  -3.935  -7.840
  253    HE1  MET  34           HE1      MET  34  -8.616  -3.807 -11.024
  254    HE2  MET  34           HE2      MET  34  -9.016  -4.570  -9.484
  255    HE3  MET  34           HE3      MET  34  -7.369  -4.664 -10.113
  256    H    GLU  35           H        GLU  35  -5.338  -4.983  -6.563
  257    HA   GLU  35           HA       GLU  35  -5.530  -7.635  -7.795
  258    HB2  GLU  35           HB2      GLU  35  -5.717  -5.904  -9.555
  259    HB3  GLU  35           HB3      GLU  35  -4.126  -5.307  -9.095
  260    HG2  GLU  35           HG2      GLU  35  -3.980  -6.764 -11.027
  261    HG3  GLU  35           HG3      GLU  35  -3.166  -7.474  -9.631
  262    H    LYS  36           H        LYS  36  -3.829  -8.891  -7.559
  263    HA   LYS  36           HA       LYS  36  -1.781  -7.892  -5.713
  264    HB2  LYS  36           HB2      LYS  36  -2.998 -10.609  -6.104
  265    HB3  LYS  36           HB3      LYS  36  -1.496 -10.380  -5.211
  266    HG2  LYS  36           HG2      LYS  36  -2.532  -9.190  -3.513
  267    HG3  LYS  36           HG3      LYS  36  -3.925  -8.782  -4.515
  268    HD2  LYS  36           HD2      LYS  36  -3.315 -11.615  -3.808
  269    HD3  LYS  36           HD3      LYS  36  -4.199 -10.576  -2.686
  270    HE2  LYS  36           HE2      LYS  36  -5.877 -10.142  -4.404
  271    HE3  LYS  36           HE3      LYS  36  -4.981 -11.139  -5.546
  272    HZ1  LYS  36           HZ1      LYS  36  -5.460 -13.073  -4.316
  273    HZ2  LYS  36           HZ2      LYS  36  -6.924 -12.228  -4.438
  274    HZ3  LYS  36           HZ3      LYS  36  -6.047 -12.198  -2.990
  275    H    CYS  37           H        CYS  37   0.021  -7.388  -6.703
  276    HA   CYS  37           HA       CYS  37   0.753  -8.462  -9.245
  277    HB2  CYS  37           HB2      CYS  37   2.443  -6.818  -7.356
  278    HB3  CYS  37           HB3      CYS  37   2.652  -6.994  -9.098
  279    HG   CYS  37           HG       CYS  37   1.368  -4.515  -7.800
  280    H    ASP  38           H        ASP  38   2.444  -9.770  -9.752
  281    HA   ASP  38           HA       ASP  38   2.946 -11.935  -8.004
  282    HB2  ASP  38           HB2      ASP  38   2.900 -12.194 -10.431
  283    HB3  ASP  38           HB3      ASP  38   4.288 -11.125 -10.595
  284    H    ASP  39           H        ASP  39   4.548  -8.934  -8.519
  285    HA   ASP  39           HA       ASP  39   7.112  -9.837  -7.547
  286    HB2  ASP  39           HB2      ASP  39   6.886  -8.103  -9.309
  287    HB3  ASP  39           HB3      ASP  39   6.150  -7.030  -8.127
  288    H    GLY  40           H        GLY  40   4.217  -8.813  -6.071
  289    HA2  GLY  40           HA2      GLY  40   4.149  -9.329  -3.690
  290    HA3  GLY  40           HA3      GLY  40   5.745  -8.616  -3.549
  291    H    TRP  41           H        TRP  41   5.079  -6.285  -5.191
  292    HA   TRP  41           HA       TRP  41   3.691  -4.770  -3.143
  293    HB2  TRP  41           HB2      TRP  41   4.536  -3.565  -5.744
  294    HB3  TRP  41           HB3      TRP  41   4.514  -2.843  -4.142
  295    HD1  TRP  41           HD1      TRP  41   6.885  -3.913  -6.606
  296    HE1  TRP  41           HE1      TRP  41   9.193  -4.437  -5.601
  297    HE3  TRP  41           HE3      TRP  41   5.585  -4.255  -1.648
  298    HZ2  TRP  41           HZ2      TRP  41  10.312  -4.930  -3.072
  299    HZ3  TRP  41           HZ3      TRP  41   7.344  -4.762  -0.018
  300    HH2  TRP  41           HH2      TRP  41   9.660  -5.094  -0.712
  301    H    PHE  42           H        PHE  42   1.580  -4.535  -3.169
  302    HA   PHE  42           HA       PHE  42   0.129  -5.655  -5.427
  303    HB2  PHE  42           HB2      PHE  42  -0.849  -4.935  -2.661
  304    HB3  PHE  42           HB3      PHE  42  -1.733  -5.857  -3.871
  305    HD1  PHE  42           HD1      PHE  42  -0.008  -7.851  -4.855
  306    HD2  PHE  42           HD2      PHE  42  -0.169  -6.244  -0.915
  307    HE1  PHE  42           HE1      PHE  42   0.942  -9.936  -3.967
  308    HE2  PHE  42           HE2      PHE  42   0.790  -8.327  -0.026
  309    HZ   PHE  42           HZ       PHE  42   1.346 -10.175  -1.552
  310    H    VAL  43           H        VAL  43  -2.084  -4.696  -5.878
  311    HA   VAL  43           HA       VAL  43  -1.836  -1.768  -6.067
  312    HB   VAL  43           HB       VAL  43  -2.972  -3.823  -7.914
  313   HG11  VAL  43          HG11      VAL  43  -3.879  -0.940  -7.916
  314   HG12  VAL  43          HG12      VAL  43  -4.881  -2.301  -7.414
  315   HG13  VAL  43          HG13      VAL  43  -4.321  -2.188  -9.084
  316   HG21  VAL  43          HG21      VAL  43  -1.883  -2.399  -9.561
  317   HG22  VAL  43          HG22      VAL  43  -0.764  -2.823  -8.258
  318   HG23  VAL  43          HG23      VAL  43  -1.532  -1.235  -8.285
  319    H    GLY  44           H        GLY  44  -3.295  -0.515  -5.116
  320    HA2  GLY  44           HA2      GLY  44  -5.826  -1.599  -4.164
  321    HA3  GLY  44           HA3      GLY  44  -4.627  -1.310  -2.915
  322    H    THR  45           H        THR  45  -6.588   0.036  -2.299
  323    HA   THR  45           HA       THR  45  -6.161   2.772  -3.272
  324    HB   THR  45           HB       THR  45  -8.815   1.483  -2.638
  325    HG1  THR  45           HG1      THR  45  -7.450   2.055  -4.996
  326   HG21  THR  45          HG21      THR  45  -9.745   3.677  -3.475
  327   HG22  THR  45          HG22      THR  45  -8.113   4.334  -3.327
  328   HG23  THR  45          HG23      THR  45  -8.961   3.738  -1.897
  329    H    SER  46           H        SER  46  -6.155   4.305  -1.715
  330    HA   SER  46           HA       SER  46  -5.672   3.471   0.977
  331    HB2  SER  46           HB2      SER  46  -4.409   5.312   0.028
  332    HB3  SER  46           HB3      SER  46  -5.894   6.199  -0.310
  333    HG   SER  46           HG       SER  46  -4.958   5.484   2.299
  334    H    ARG  47           H        ARG  47  -7.048   3.497   2.679
  335    HA   ARG  47           HA       ARG  47  -9.836   3.980   2.339
  336    HB2  ARG  47           HB2      ARG  47  -8.940   2.347   3.943
  337    HB3  ARG  47           HB3      ARG  47  -8.177   3.645   4.842
  338    HG2  ARG  47           HG2      ARG  47 -10.399   4.562   5.359
  339    HG3  ARG  47           HG3      ARG  47 -11.133   3.193   4.513
  340    HD2  ARG  47           HD2      ARG  47 -10.114   1.642   6.048
  341    HD3  ARG  47           HD3      ARG  47  -9.229   2.945   6.824
  342    HE   ARG  47           HE       ARG  47 -12.175   2.759   6.914
  343   HH11  ARG  47          HH11      ARG  47  -9.081   3.274   8.460
  344   HH12  ARG  47          HH12      ARG  47  -9.759   3.569  10.026
  345   HH21  ARG  47          HH22      ARG  47 -13.086   3.130   8.989
  346   HH22  ARG  47          HH21      ARG  47 -12.029   3.484  10.334
  347    H    ARG  48           H        ARG  48  -7.142   5.826   3.547
  348    HA   ARG  48           HA       ARG  48  -8.705   7.808   4.889
  349    HB2  ARG  48           HB2      ARG  48  -6.401   7.208   5.543
  350    HB3  ARG  48           HB3      ARG  48  -5.808   7.857   4.022
  351    HG2  ARG  48           HG2      ARG  48  -6.753  10.074   4.718
  352    HG3  ARG  48           HG3      ARG  48  -7.038   9.359   6.307
  353    HD2  ARG  48           HD2      ARG  48  -4.659   8.776   6.452
  354    HD3  ARG  48           HD3      ARG  48  -4.392   9.556   4.895
  355    HE   ARG  48           HE       ARG  48  -5.592  11.230   6.941
  356   HH11  ARG  48          HH11      ARG  48  -2.667  10.221   5.302
  357   HH12  ARG  48          HH12      ARG  48  -1.706  11.536   5.905
  358   HH21  ARG  48          HH22      ARG  48  -4.340  12.973   7.749
  359   HH22  ARG  48          HH21      ARG  48  -2.652  13.092   7.315
  360    H    THR  49           H        THR  49  -6.866   7.773   1.833
  361    HA   THR  49           HA       THR  49  -8.103  10.368   1.204
  362    HB   THR  49           HB       THR  49  -5.867  10.875   1.307
  363    HG1  THR  49           HG1      THR  49  -6.531  10.194  -1.350
  364   HG21  THR  49          HG21      THR  49  -4.045   9.445   0.512
  365   HG22  THR  49          HG22      THR  49  -5.226   8.231   0.024
  366   HG23  THR  49          HG23      THR  49  -5.038   8.642   1.729
  367    H    LYS  50           H        LYS  50  -8.164   7.159   0.364
  368    HA   LYS  50           HA       LYS  50  -9.209   5.977  -1.245
  369    HB2  LYS  50           HB2      LYS  50 -10.527   8.584  -1.985
  370    HB3  LYS  50           HB3      LYS  50 -11.083   6.977  -2.413
  371    HG2  LYS  50           HG2      LYS  50 -11.099   8.301   0.278
  372    HG3  LYS  50           HG3      LYS  50 -12.461   7.686  -0.650
  373    HD2  LYS  50           HD2      LYS  50 -10.338   6.102   0.778
  374    HD3  LYS  50           HD3      LYS  50 -12.054   6.183   1.163
  375    HE2  LYS  50           HE2      LYS  50 -10.805   4.960  -1.283
  376    HE3  LYS  50           HE3      LYS  50 -11.523   4.093   0.068
  377    HZ1  LYS  50           HZ1      LYS  50 -13.662   5.207  -0.509
  378    HZ2  LYS  50           HZ2      LYS  50 -13.093   4.127  -1.689
  379    HZ3  LYS  50           HZ3      LYS  50 -12.923   5.796  -1.920
  380    H    GLN  51           H        GLN  51  -6.638   7.056  -1.953
  381    HA   GLN  51           HA       GLN  51  -6.974   7.615  -4.793
  382    HB2  GLN  51           HB2      GLN  51  -4.296   7.566  -4.539
  383    HB3  GLN  51           HB3      GLN  51  -5.271   9.004  -4.305
  384    HG2  GLN  51           HG2      GLN  51  -5.159   8.774  -1.935
  385    HG3  GLN  51           HG3      GLN  51  -4.390   7.191  -2.080
  386   HE21  GLN  51          HE22      GLN  51  -3.490   9.764  -0.839
  387   HE22  GLN  51          HE21      GLN  51  -1.942  10.082  -1.543
  388    H    PHE  52           H        PHE  52  -5.741   6.379  -6.356
  389    HA   PHE  52           HA       PHE  52  -5.657   3.550  -5.541
  390    HB2  PHE  52           HB2      PHE  52  -7.638   3.839  -6.811
  391    HB3  PHE  52           HB3      PHE  52  -6.820   4.834  -8.008
  392    HD1  PHE  52           HD2      PHE  52  -6.674   1.388  -6.582
  393    HD2  PHE  52           HD1      PHE  52  -6.245   3.878 -10.004
  394    HE1  PHE  52           HE2      PHE  52  -6.312  -0.598  -7.979
  395    HE2  PHE  52           HE1      PHE  52  -5.876   1.894 -11.407
  396    HZ   PHE  52           HZ       PHE  52  -5.909  -0.348 -10.396
  397    H    GLY  53           H        GLY  53  -3.895   2.439  -6.021
  398    HA2  GLY  53           HA2      GLY  53  -2.361   2.714  -8.360
  399    HA3  GLY  53           HA3      GLY  53  -1.547   3.587  -7.064
  400    H    THR  54           H        THR  54   0.173   2.131  -7.192
  401    HA   THR  54           HA       THR  54  -0.394  -0.544  -6.123
  402    HB   THR  54           HB       THR  54   0.920  -0.695  -8.104
  403    HG1  THR  54           HG1      THR  54   1.904  -1.426  -5.733
  404   HG21  THR  54          HG21      THR  54   3.248   0.481  -8.040
  405   HG22  THR  54          HG22      THR  54   2.441   1.562  -6.899
  406   HG23  THR  54          HG23      THR  54   1.813   1.381  -8.540
  407    H    PHE  55           H        PHE  55   0.243  -1.084  -4.147
  408    HA   PHE  55           HA       PHE  55   1.967   0.803  -2.714
  409    HB2  PHE  55           HB2      PHE  55   0.662   0.519  -0.703
  410    HB3  PHE  55           HB3      PHE  55  -0.417   1.001  -1.994
  411    HD1  PHE  55           HD1      PHE  55  -1.655  -0.927  -3.230
  412    HD2  PHE  55           HD2      PHE  55   0.143  -1.319   0.605
  413    HE1  PHE  55           HE1      PHE  55  -3.070  -2.888  -2.770
  414    HE2  PHE  55           HE2      PHE  55  -1.268  -3.278   1.069
  415    HZ   PHE  55           HZ       PHE  55  -2.875  -4.066  -0.618
  416    HA   PRO  56           HA       PRO  56   4.547  -2.712  -2.084
  417    HB2  PRO  56           HB3      PRO  56   5.385  -1.247   0.351
  418    HB3  PRO  56           HB2      PRO  56   6.360  -1.827  -1.004
  419    HG2  PRO  56           HG2      PRO  56   5.818   0.772  -0.695
  420    HG3  PRO  56           HG3      PRO  56   5.904   0.029  -2.301
  421    HD2  PRO  56           HD2      PRO  56   3.508   0.818  -0.699
  422    HD3  PRO  56           HD3      PRO  56   3.778   0.919  -2.451
  423    H    GLY  57           H        GLY  57   3.612  -4.529  -1.355
  424    HA2  GLY  57           HA2      GLY  57   1.864  -4.646   0.893
  425    HA3  GLY  57           HA3      GLY  57   2.479  -6.014  -0.020
  426    H    ASN  58           H        ASN  58   4.731  -3.802   1.309
  427    HA   ASN  58           HA       ASN  58   5.660  -5.839   3.194
  428    HB2  ASN  58           HB2      ASN  58   7.105  -4.742   1.334
  429    HB3  ASN  58           HB3      ASN  58   7.142  -3.341   2.399
  430   HD21  ASN  58          HD22      ASN  58   7.212  -4.944   4.856
  431   HD22  ASN  58          HD21      ASN  58   8.807  -5.612   4.931
  432    H    TYR  59           H        TYR  59   4.202  -2.733   2.955
  433    HA   TYR  59           HA       TYR  59   4.811  -2.135   5.775
  434    HB2  TYR  59           HB2      TYR  59   3.742  -0.243   3.675
  435    HB3  TYR  59           HB3      TYR  59   4.313   0.179   5.282
  436    HD1  TYR  59           HD2      TYR  59   6.855  -0.678   5.720
  437    HD2  TYR  59           HD1      TYR  59   5.134   0.201   1.931
  438    HE1  TYR  59           HE2      TYR  59   9.104  -0.329   4.782
  439    HE2  TYR  59           HE1      TYR  59   7.363   0.552   0.987
  440    HH   TYR  59           HH       TYR  59  10.246  -0.306   2.706
  441    H    VAL  60           H        VAL  60   2.729  -3.958   4.672
  442    HA   VAL  60           HA       VAL  60   0.478  -2.832   6.121
  443    HB   VAL  60           HB       VAL  60  -1.141  -3.524   4.356
  444   HG11  VAL  60          HG11      VAL  60   0.833  -1.522   3.265
  445   HG12  VAL  60          HG12      VAL  60  -0.281  -1.167   4.583
  446   HG13  VAL  60          HG13      VAL  60  -0.909  -1.588   2.988
  447   HG21  VAL  60          HG21      VAL  60   1.375  -4.001   2.772
  448   HG22  VAL  60          HG22      VAL  60  -0.214  -3.796   2.033
  449   HG23  VAL  60          HG23      VAL  60   0.077  -5.135   3.135
  450    H    LYS  61           H        LYS  61  -1.063  -4.474   6.733
  451    HA   LYS  61           HA       LYS  61   0.078  -7.196   6.672
  452    HB2  LYS  61           HB2      LYS  61  -1.290  -7.238   9.001
  453    HB3  LYS  61           HB3      LYS  61   0.422  -6.864   8.881
  454    HG2  LYS  61           HG2      LYS  61   0.040  -4.557   9.081
  455    HG3  LYS  61           HG3      LYS  61  -1.683  -4.736   8.765
  456    HD2  LYS  61           HD2      LYS  61  -1.223  -4.270  11.111
  457    HD3  LYS  61           HD3      LYS  61  -1.992  -5.839  10.902
  458    HE2  LYS  61           HE2      LYS  61   0.987  -5.498  11.193
  459    HE3  LYS  61           HE3      LYS  61  -0.083  -5.684  12.577
  460    HZ1  LYS  61           HZ1      LYS  61   0.634  -7.824  12.168
  461    HZ2  LYS  61           HZ2      LYS  61   0.587  -7.644  10.480
  462    HZ3  LYS  61           HZ3      LYS  61  -0.857  -7.795  11.359
  463    HA   PRO  62           HA       PRO  62  -3.804  -8.494   4.966
  464    HB2  PRO  62           HB3      PRO  62  -3.169 -11.067   6.275
  465    HB3  PRO  62           HB2      PRO  62  -3.483 -10.721   4.573
  466    HG2  PRO  62           HG2      PRO  62  -1.017 -11.267   5.439
  467    HG3  PRO  62           HG3      PRO  62  -1.302 -10.062   4.170
  468    HD2  PRO  62           HD2      PRO  62  -0.695  -9.653   7.067
  469    HD3  PRO  62           HD3      PRO  62  -0.126  -8.743   5.652
  470    H    LEU  63           H        LEU  63  -5.729  -8.089   5.801
  471    HA   LEU  63           HA       LEU  63  -6.086  -8.372   8.683
  472    HB2  LEU  63           HB2      LEU  63  -7.707  -6.887   6.617
  473    HB3  LEU  63           HB3      LEU  63  -8.074  -6.926   8.328
  474    HG   LEU  63           HG       LEU  63  -5.593  -5.735   7.091
  475   HD11  LEU  63          HD11      LEU  63  -7.929  -4.403   8.447
  476   HD12  LEU  63          HD12      LEU  63  -7.689  -4.487   6.703
  477   HD13  LEU  63          HD13      LEU  63  -6.535  -3.615   7.711
  478   HD21  LEU  63          HD21      LEU  63  -6.520  -5.814   9.961
  479   HD22  LEU  63          HD22      LEU  63  -5.130  -4.914   9.353
  480   HD23  LEU  63          HD23      LEU  63  -5.136  -6.676   9.293
  481    H    TYR  64           H        TYR  64  -8.844  -8.413   8.755
  482    HA   TYR  64           HA       TYR  64  -9.374 -11.123   8.894
  483    HB2  TYR  64           HB2      TYR  64 -11.552  -9.092   8.538
  484    HB3  TYR  64           HB3      TYR  64 -11.517 -10.497   9.595
  485    HD1  TYR  64           HD1      TYR  64  -9.396 -10.356  11.329
  486    HD2  TYR  64           HD2      TYR  64 -11.458  -7.059   9.607
  487    HE1  TYR  64           HE1      TYR  64  -8.630  -8.920  13.173
  488    HE2  TYR  64           HE2      TYR  64 -10.699  -5.614  11.447
  489    HH   TYR  64           HH       TYR  64  -9.894  -5.777  13.724
  490    H    LEU  65           H        LEU  65 -10.505  -8.788   6.509
  491    HA   LEU  65           HA       LEU  65 -11.392 -10.938   4.753
  492    HB2  LEU  65           HB2      LEU  65 -11.737  -7.945   4.636
  493    HB3  LEU  65           HB3      LEU  65 -12.178  -8.997   3.311
  494    HG   LEU  65           HG       LEU  65 -14.177  -8.529   4.472
  495   HD11  LEU  65          HD11      LEU  65 -13.964 -10.849   3.814
  496   HD12  LEU  65          HD12      LEU  65 -14.883 -10.715   5.314
  497   HD13  LEU  65          HD13      LEU  65 -13.198 -11.236   5.355
  498   HD21  LEU  65          HD21      LEU  65 -12.775  -9.308   7.023
  499   HD22  LEU  65          HD22      LEU  65 -14.472  -8.857   6.872
  500   HD23  LEU  65          HD23      LEU  65 -13.211  -7.670   6.537
  Start of MODEL    6
    1    H1   GLN   1           H1       GLN   1 -21.331   0.030   0.031
    2    H2   GLN   1           H2       GLN   1 -19.850  -0.253   0.809
    3    H3   GLN   1           H3       GLN   1 -21.210   0.183   1.718
    4    HA   GLN   1           HA       GLN   1 -20.683  -2.188   1.885
    5    HB2  GLN   1           HB2      GLN   1 -23.269  -1.659   0.408
    6    HB3  GLN   1           HB3      GLN   1 -22.934  -3.009   1.482
    7    HG2  GLN   1           HG2      GLN   1 -22.690  -1.410   3.349
    8    HG3  GLN   1           HG3      GLN   1 -23.136  -0.106   2.252
    9   HE21  GLN   1          HE22      GLN   1 -24.253  -2.841   4.060
   10   HE22  GLN   1          HE21      GLN   1 -25.949  -2.572   3.814
   11    H    THR   2           H        THR   2 -18.955  -1.873  -0.069
   12    HA   THR   2           HA       THR   2 -19.628  -4.051  -1.886
   13    HB   THR   2           HB       THR   2 -20.248  -2.021  -3.137
   14    HG1  THR   2           HG1      THR   2 -18.107  -3.646  -3.955
   15   HG21  THR   2          HG21      THR   2 -18.535  -0.410  -3.820
   16   HG22  THR   2          HG22      THR   2 -17.356  -1.233  -2.800
   17   HG23  THR   2          HG23      THR   2 -18.744  -0.428  -2.070
   18    H    SER   3           H        SER   3 -17.804  -3.295   0.431
   19    HA   SER   3           HA       SER   3 -15.259  -4.076  -0.825
   20    HB2  SER   3           HB2      SER   3 -15.692  -2.620   1.801
   21    HB3  SER   3           HB3      SER   3 -14.133  -3.029   1.086
   22    HG   SER   3           HG       SER   3 -14.925  -1.741  -0.785
   23    H    GLN   4           H        GLN   4 -15.495  -6.263  -0.743
   24    HA   GLN   4           HA       GLN   4 -16.187  -7.439   1.861
   25    HB2  GLN   4           HB2      GLN   4 -17.621  -7.736  -0.363
   26    HB3  GLN   4           HB3      GLN   4 -16.443  -9.005  -0.666
   27    HG2  GLN   4           HG2      GLN   4 -18.336  -9.988   0.382
   28    HG3  GLN   4           HG3      GLN   4 -17.012  -9.981   1.547
   29   HE21  GLN   4          HE22      GLN   4 -19.886 -10.137   1.995
   30   HE22  GLN   4          HE21      GLN   4 -20.293  -8.788   3.004
   31    H    ASP   5           H        ASP   5 -15.450 -10.084   0.517
   32    HA   ASP   5           HA       ASP   5 -12.782 -10.237   1.504
   33    HB2  ASP   5           HB2      ASP   5 -14.488 -12.196  -0.039
   34    HB3  ASP   5           HB3      ASP   5 -12.878 -12.577   0.563
   35    H    LEU   6           H        LEU   6 -11.863  -8.554   0.171
   36    HA   LEU   6           HA       LEU   6 -10.971  -9.593  -2.436
   37    HB2  LEU   6           HB2      LEU   6 -12.557  -7.697  -2.626
   38    HB3  LEU   6           HB3      LEU   6 -11.478  -6.722  -1.653
   39    HG   LEU   6           HG       LEU   6  -9.747  -6.948  -3.445
   40   HD11  LEU   6          HD11      LEU   6 -12.022  -8.193  -4.983
   41   HD12  LEU   6          HD12      LEU   6 -10.556  -9.015  -4.446
   42   HD13  LEU   6          HD13      LEU   6 -10.455  -7.727  -5.647
   43   HD21  LEU   6          HD21      LEU   6 -11.194  -4.972  -3.287
   44   HD22  LEU   6          HD22      LEU   6 -12.384  -5.766  -4.319
   45   HD23  LEU   6          HD23      LEU   6 -10.794  -5.354  -4.962
   46    H    PHE   7           H        PHE   7 -10.103  -9.235   0.574
   47    HA   PHE   7           HA       PHE   7  -8.225  -9.025   1.765
   48    HB2  PHE   7           HB2      PHE   7  -7.096  -9.095  -0.968
   49    HB3  PHE   7           HB3      PHE   7  -6.061  -8.431   0.296
   50    HD1  PHE   7           HD2      PHE   7  -5.395  -9.838   2.199
   51    HD2  PHE   7           HD1      PHE   7  -7.628 -11.413  -1.062
   52    HE1  PHE   7           HE2      PHE   7  -4.806 -12.119   2.903
   53    HE2  PHE   7           HE1      PHE   7  -7.044 -13.698  -0.363
   54    HZ   PHE   7           HZ       PHE   7  -5.631 -14.053   1.621
   55    H    SER   8           H        SER   8  -8.476  -7.358   2.978
   56    HA   SER   8           HA       SER   8  -7.567  -4.748   1.953
   57    HB2  SER   8           HB2      SER   8  -9.330  -5.360   4.348
   58    HB3  SER   8           HB3      SER   8  -8.834  -3.751   3.823
   59    HG   SER   8           HG       SER   8 -10.237  -3.806   2.230
   60    H    TYR   9           H        TYR   9  -5.734  -3.904   2.857
   61    HA   TYR   9           HA       TYR   9  -4.672  -5.359   5.188
   62    HB2  TYR   9           HB2      TYR   9  -3.066  -3.741   3.203
   63    HB3  TYR   9           HB3      TYR   9  -2.441  -4.723   4.513
   64    HD1  TYR   9           HD2      TYR   9  -4.077  -7.221   4.096
   65    HD2  TYR   9           HD1      TYR   9  -2.085  -4.673   1.357
   66    HE1  TYR   9           HE2      TYR   9  -3.805  -9.112   2.543
   67    HE2  TYR   9           HE1      TYR   9  -1.794  -6.542  -0.206
   68    HH   TYR   9           HH       TYR   9  -3.406  -9.549   0.208
   69    H    GLN  10           H        GLN  10  -3.650  -4.158   6.823
   70    HA   GLN  10           HA       GLN  10  -4.282  -1.280   6.788
   71    HB2  GLN  10           HB2      GLN  10  -5.271  -2.650   8.664
   72    HB3  GLN  10           HB3      GLN  10  -3.632  -2.956   9.218
   73    HG2  GLN  10           HG2      GLN  10  -3.340  -0.445   9.312
   74    HG3  GLN  10           HG3      GLN  10  -5.077  -0.331   9.081
   75   HE21  GLN  10          HE22      GLN  10  -5.373   0.627  11.088
   76   HE22  GLN  10          HE21      GLN  10  -5.229  -0.261  12.572
   77    H    ALA  11           H        ALA  11  -2.641   0.137   6.955
   78    HA   ALA  11           HA       ALA  11  -0.037  -0.762   6.289
   79    HB1  ALA  11           HB1      ALA  11   0.545   1.632   6.456
   80    HB2  ALA  11           HB2      ALA  11  -1.056   1.945   7.136
   81    HB3  ALA  11           HB3      ALA  11  -0.898   1.346   5.482
   82    H    LEU  12           H        LEU  12   1.712  -1.056   7.482
   83    HA   LEU  12           HA       LEU  12   1.452  -1.268  10.334
   84    HB2  LEU  12           HB2      LEU  12   3.726  -1.722   8.405
   85    HB3  LEU  12           HB3      LEU  12   3.923  -1.888  10.140
   86    HG   LEU  12           HG       LEU  12   1.682  -3.432   9.043
   87   HD11  LEU  12          HD11      LEU  12   4.505  -3.982   8.182
   88   HD12  LEU  12          HD12      LEU  12   3.075  -3.758   7.166
   89   HD13  LEU  12          HD13      LEU  12   3.227  -5.194   8.170
   90   HD21  LEU  12          HD21      LEU  12   4.051  -4.142  10.769
   91   HD22  LEU  12          HD22      LEU  12   2.633  -5.152  10.493
   92   HD23  LEU  12          HD23      LEU  12   2.474  -3.621  11.357
   93    H    TYR  13           H        TYR  13   3.049   0.865   8.058
   94    HA   TYR  13           HA       TYR  13   3.082   2.961   9.983
   95    HB2  TYR  13           HB2      TYR  13   5.548   3.398   9.788
   96    HB3  TYR  13           HB3      TYR  13   5.108   2.000  10.748
   97    HD1  TYR  13           HD1      TYR  13   5.355  -0.296   9.704
   98    HD2  TYR  13           HD2      TYR  13   7.040   3.210   7.990
   99    HE1  TYR  13           HE1      TYR  13   6.954  -1.685   8.456
  100    HE2  TYR  13           HE2      TYR  13   8.637   1.833   6.723
  101    HH   TYR  13           HH       TYR  13   9.667  -0.376   6.855
  102    H    SER  14           H        SER  14   4.274   4.933   8.973
  103    HA   SER  14           HA       SER  14   2.805   5.416   6.565
  104    HB2  SER  14           HB2      SER  14   4.800   7.197   7.990
  105    HB3  SER  14           HB3      SER  14   3.624   7.707   6.774
  106    HG   SER  14           HG       SER  14   3.286   7.402   9.420
  107    H    TYR  15           H        TYR  15   3.532   5.755   4.493
  108    HA   TYR  15           HA       TYR  15   6.434   5.574   4.013
  109    HB2  TYR  15           HB2      TYR  15   5.577   3.318   3.619
  110    HB3  TYR  15           HB3      TYR  15   4.352   3.953   2.539
  111    HD1  TYR  15           HD2      TYR  15   8.049   3.685   2.927
  112    HD2  TYR  15           HD1      TYR  15   4.760   4.144   0.272
  113    HE1  TYR  15           HE2      TYR  15   9.566   3.414   1.008
  114    HE2  TYR  15           HE1      TYR  15   6.263   3.869  -1.652
  115    HH   TYR  15           HH       TYR  15   8.545   4.034  -2.246
  116    H    ILE  16           H        ILE  16   7.201   6.786   2.406
  117    HA   ILE  16           HA       ILE  16   5.301   8.566   1.050
  118    HB   ILE  16           HB       ILE  16   8.257   8.875   1.592
  119   HG12  ILE  16          HG12      ILE  16   6.890   9.216   3.575
  120   HG13  ILE  16          HG13      ILE  16   7.532  10.761   3.023
  121   HG21  ILE  16          HG21      ILE  16   6.377  10.784   0.204
  122   HG22  ILE  16          HG22      ILE  16   7.685   9.881  -0.555
  123   HG23  ILE  16          HG23      ILE  16   8.052  11.124   0.638
  124   HD11  ILE  16          HD11      ILE  16   5.388  11.302   2.008
  125   HD12  ILE  16          HD12      ILE  16   5.201  10.942   3.725
  126   HD13  ILE  16          HD13      ILE  16   4.745   9.741   2.517
  127    HA   PRO  17           HA       PRO  17   6.270   6.066  -2.552
  128    HB2  PRO  17           HB3      PRO  17   4.486   7.998  -3.877
  129    HB3  PRO  17           HB2      PRO  17   4.329   6.245  -3.739
  130    HG2  PRO  17           HG2      PRO  17   2.728   7.911  -2.388
  131    HG3  PRO  17           HG3      PRO  17   3.277   6.379  -1.679
  132    HD2  PRO  17           HD2      PRO  17   4.292   9.161  -1.205
  133    HD3  PRO  17           HD3      PRO  17   3.984   7.860  -0.034
  134    H    GLN  18           H        GLN  18   7.804   6.293  -4.052
  135    HA   GLN  18           HA       GLN  18   8.985   8.909  -4.477
  136    HB2  GLN  18           HB2      GLN  18   9.860   6.238  -5.576
  137    HB3  GLN  18           HB3      GLN  18  10.807   7.720  -5.536
  138    HG2  GLN  18           HG2      GLN  18   9.834   6.301  -3.070
  139    HG3  GLN  18           HG3      GLN  18  11.407   6.012  -3.810
  140   HE21  GLN  18          HE22      GLN  18  12.481   6.691  -1.967
  141   HE22  GLN  18          HE21      GLN  18  12.587   8.364  -1.529
  142    H    ASN  19           H        ASN  19   6.660   7.010  -5.805
  143    HA   ASN  19           HA       ASN  19   6.838   8.352  -8.423
  144    HB2  ASN  19           HB2      ASN  19   5.632   5.680  -7.687
  145    HB3  ASN  19           HB3      ASN  19   5.533   6.411  -9.289
  146   HD21  ASN  19          HD22      ASN  19   7.519   4.776  -6.986
  147   HD22  ASN  19          HD21      ASN  19   8.857   4.466  -8.046
  148    H    ASP  20           H        ASP  20   4.855   9.212  -9.227
  149    HA   ASP  20           HA       ASP  20   2.981   9.889  -7.121
  150    HB2  ASP  20           HB2      ASP  20   2.012  11.457  -8.650
  151    HB3  ASP  20           HB3      ASP  20   3.760  11.573  -8.812
  152    H    ASP  21           H        ASP  21   3.335   7.406  -9.264
  153    HA   ASP  21           HA       ASP  21   0.524   6.842  -9.701
  154    HB2  ASP  21           HB2      ASP  21   2.342   6.248 -11.335
  155    HB3  ASP  21           HB3      ASP  21   2.937   5.074 -10.169
  156    H    GLU  22           H        GLU  22   2.671   6.497  -7.167
  157    HA   GLU  22           HA       GLU  22   1.607   3.958  -6.220
  158    HB2  GLU  22           HB2      GLU  22   3.847   5.731  -5.274
  159    HB3  GLU  22           HB3      GLU  22   3.278   4.361  -4.332
  160    HG2  GLU  22           HG2      GLU  22   3.856   2.844  -6.102
  161    HG3  GLU  22           HG3      GLU  22   4.319   4.181  -7.148
  162    H    LEU  23           H        LEU  23   1.144   3.831  -3.853
  163    HA   LEU  23           HA       LEU  23  -0.856   5.884  -3.257
  164    HB2  LEU  23           HB2      LEU  23  -1.236   3.291  -3.432
  165    HB3  LEU  23           HB3      LEU  23  -0.569   3.268  -1.814
  166    HG   LEU  23           HG       LEU  23  -3.087   3.278  -1.961
  167   HD11  LEU  23          HD11      LEU  23  -1.817   5.570  -0.482
  168   HD12  LEU  23          HD12      LEU  23  -1.940   3.906   0.091
  169   HD13  LEU  23          HD13      LEU  23  -3.400   4.867  -0.147
  170   HD21  LEU  23          HD21      LEU  23  -3.413   4.760  -3.788
  171   HD22  LEU  23          HD22      LEU  23  -2.545   6.054  -2.963
  172   HD23  LEU  23          HD23      LEU  23  -4.107   5.514  -2.352
  173    H    GLU  24           H        GLU  24  -0.781   7.130  -1.461
  174    HA   GLU  24           HA       GLU  24   1.667   7.160   0.049
  175    HB2  GLU  24           HB2      GLU  24  -0.626   8.939  -0.307
  176    HB3  GLU  24           HB3      GLU  24  -0.030   8.888   1.349
  177    HG2  GLU  24           HG2      GLU  24   2.259   9.296   0.421
  178    HG3  GLU  24           HG3      GLU  24   1.484   9.612  -1.135
  179    H    LEU  25           H        LEU  25   2.015   5.842   1.655
  180    HA   LEU  25           HA       LEU  25  -0.265   4.615   2.983
  181    HB2  LEU  25           HB2      LEU  25   2.665   3.977   3.209
  182    HB3  LEU  25           HB3      LEU  25   1.357   3.050   3.913
  183    HG   LEU  25           HG       LEU  25   1.781   3.446   0.950
  184   HD11  LEU  25          HD11      LEU  25   2.390   1.099   2.734
  185   HD12  LEU  25          HD12      LEU  25   3.552   2.095   1.855
  186   HD13  LEU  25          HD13      LEU  25   2.427   1.064   0.970
  187   HD21  LEU  25          HD21      LEU  25   0.095   1.666   0.741
  188   HD22  LEU  25          HD22      LEU  25  -0.551   3.113   1.515
  189   HD23  LEU  25          HD23      LEU  25  -0.137   1.704   2.489
  190    H    ARG  26           H        ARG  26  -0.829   5.022   5.001
  191    HA   ARG  26           HA       ARG  26   0.925   6.725   6.630
  192    HB2  ARG  26           HB2      ARG  26  -1.037   7.978   5.987
  193    HB3  ARG  26           HB3      ARG  26  -2.103   6.686   6.517
  194    HG2  ARG  26           HG2      ARG  26  -1.128   7.061   8.836
  195    HG3  ARG  26           HG3      ARG  26  -0.441   8.550   8.180
  196    HD2  ARG  26           HD2      ARG  26  -2.634   9.366   7.605
  197    HD3  ARG  26           HD3      ARG  26  -3.366   7.838   8.098
  198    HE   ARG  26           HE       ARG  26  -2.040   9.714   9.967
  199   HH11  ARG  26          HH11      ARG  26  -4.601   7.457   9.191
  200   HH12  ARG  26          HH12      ARG  26  -5.326   7.528  10.767
  201   HH21  ARG  26          HH22      ARG  26  -2.997   9.828  12.042
  202   HH22  ARG  26          HH21      ARG  26  -4.409   8.871  12.396
  203    H    ASP  27           H        ASP  27   1.221   6.184   8.681
  204    HA   ASP  27           HA       ASP  27   1.122   3.550   9.548
  205    HB2  ASP  27           HB2      ASP  27   2.467   5.474  10.501
  206    HB3  ASP  27           HB3      ASP  27   1.010   5.979  11.347
  207    H    GLY  28           H        GLY  28  -0.759   2.415   9.577
  208    HA2  GLY  28           HA2      GLY  28  -2.545   1.694  10.972
  209    HA3  GLY  28           HA3      GLY  28  -2.812   3.361  11.453
  210    H    ASP  29           H        ASP  29  -2.412   3.591   8.232
  211    HA   ASP  29           HA       ASP  29  -5.243   3.851   7.757
  212    HB2  ASP  29           HB2      ASP  29  -3.610   5.414   6.748
  213    HB3  ASP  29           HB3      ASP  29  -2.940   4.090   5.804
  214    H    ILE  30           H        ILE  30  -6.462   2.705   6.173
  215    HA   ILE  30           HA       ILE  30  -5.462  -0.018   5.739
  216    HB   ILE  30           HB       ILE  30  -8.266   1.065   5.902
  217   HG12  ILE  30          HG12      ILE  30  -8.363  -0.949   7.526
  218   HG13  ILE  30          HG13      ILE  30  -6.609  -0.883   7.456
  219   HG21  ILE  30          HG21      ILE  30  -7.454  -1.693   4.997
  220   HG22  ILE  30          HG22      ILE  30  -8.183  -0.439   3.992
  221   HG23  ILE  30          HG23      ILE  30  -9.103  -1.152   5.318
  222   HD11  ILE  30          HD11      ILE  30  -7.324   0.316   9.379
  223   HD12  ILE  30          HD12      ILE  30  -8.479   1.253   8.430
  224   HD13  ILE  30          HD13      ILE  30  -6.749   1.484   8.191
  225    H    VAL  31           H        VAL  31  -5.261  -0.841   3.765
  226    HA   VAL  31           HA       VAL  31  -6.274   0.728   1.487
  227    HB   VAL  31           HB       VAL  31  -3.560  -0.596   1.671
  228   HG11  VAL  31          HG11      VAL  31  -4.581   0.906  -0.716
  229   HG12  VAL  31          HG12      VAL  31  -4.871  -0.826  -0.549
  230   HG13  VAL  31          HG13      VAL  31  -3.216  -0.209  -0.606
  231   HG21  VAL  31          HG21      VAL  31  -2.671   1.607   1.322
  232   HG22  VAL  31          HG22      VAL  31  -3.788   1.665   2.687
  233   HG23  VAL  31          HG23      VAL  31  -4.292   2.267   1.103
  234    H    ASP  32           H        ASP  32  -7.614  -0.411   0.306
  235    HA   ASP  32           HA       ASP  32  -7.764  -3.301   0.587
  236    HB2  ASP  32           HB2      ASP  32  -9.391  -1.570  -1.280
  237    HB3  ASP  32           HB3      ASP  32  -9.808  -3.159  -0.645
  238    H    VAL  33           H        VAL  33  -6.587  -4.598  -0.684
  239    HA   VAL  33           HA       VAL  33  -5.346  -3.472  -3.058
  240    HB   VAL  33           HB       VAL  33  -3.860  -4.744  -1.704
  241   HG11  VAL  33          HG11      VAL  33  -6.062  -6.696  -1.563
  242   HG12  VAL  33          HG12      VAL  33  -4.918  -6.156  -0.323
  243   HG13  VAL  33          HG13      VAL  33  -4.414  -7.320  -1.551
  244   HG21  VAL  33          HG21      VAL  33  -4.604  -6.470  -4.053
  245   HG22  VAL  33          HG22      VAL  33  -3.043  -6.425  -3.232
  246   HG23  VAL  33          HG23      VAL  33  -3.610  -5.014  -4.130
  247    H    MET  34           H        MET  34  -6.114  -3.708  -5.038
  248    HA   MET  34           HA       MET  34  -8.368  -5.540  -5.403
  249    HB2  MET  34           HB2      MET  34  -9.211  -4.121  -7.046
  250    HB3  MET  34           HB3      MET  34  -8.551  -3.028  -5.846
  251    HG2  MET  34           HG2      MET  34  -7.792  -2.048  -7.746
  252    HG3  MET  34           HG3      MET  34  -6.435  -3.116  -7.392
  253    HE1  MET  34           HE1      MET  34  -6.817  -1.843 -10.211
  254    HE2  MET  34           HE2      MET  34  -6.614  -3.207 -11.314
  255    HE3  MET  34           HE3      MET  34  -5.541  -3.027  -9.925
  256    H    GLU  35           H        GLU  35  -5.206  -4.690  -6.708
  257    HA   GLU  35           HA       GLU  35  -5.325  -7.198  -8.244
  258    HB2  GLU  35           HB2      GLU  35  -5.293  -5.119  -9.657
  259    HB3  GLU  35           HB3      GLU  35  -3.680  -4.806  -9.037
  260    HG2  GLU  35           HG2      GLU  35  -2.923  -6.931  -9.945
  261    HG3  GLU  35           HG3      GLU  35  -4.544  -7.260 -10.545
  262    H    LYS  36           H        LYS  36  -3.676  -8.545  -8.028
  263    HA   LYS  36           HA       LYS  36  -1.724  -7.824  -5.941
  264    HB2  LYS  36           HB2      LYS  36  -3.141 -10.466  -6.323
  265    HB3  LYS  36           HB3      LYS  36  -1.932 -10.119  -5.091
  266    HG2  LYS  36           HG2      LYS  36  -3.387  -8.479  -4.072
  267    HG3  LYS  36           HG3      LYS  36  -4.577  -8.701  -5.354
  268    HD2  LYS  36           HD2      LYS  36  -4.934 -10.988  -4.658
  269    HD3  LYS  36           HD3      LYS  36  -3.675 -10.832  -3.431
  270    HE2  LYS  36           HE2      LYS  36  -5.878 -10.617  -2.421
  271    HE3  LYS  36           HE3      LYS  36  -4.991  -9.098  -2.307
  272    HZ1  LYS  36           HZ1      LYS  36  -7.264  -8.674  -2.942
  273    HZ2  LYS  36           HZ2      LYS  36  -7.148  -9.737  -4.260
  274    HZ3  LYS  36           HZ3      LYS  36  -6.254  -8.299  -4.246
  275    H    CYS  37           H        CYS  37   0.188  -7.691  -6.864
  276    HA   CYS  37           HA       CYS  37   0.820  -9.099  -9.284
  277    HB2  CYS  37           HB2      CYS  37   2.625  -7.427  -7.525
  278    HB3  CYS  37           HB3      CYS  37   2.920  -7.893  -9.198
  279    HG   CYS  37           HG       CYS  37   1.429  -5.233  -8.071
  280    H    ASP  38           H        ASP  38   2.691 -10.405  -9.548
  281    HA   ASP  38           HA       ASP  38   2.757 -12.562  -7.683
  282    HB2  ASP  38           HB2      ASP  38   2.920 -12.926 -10.102
  283    HB3  ASP  38           HB3      ASP  38   4.413 -11.997 -10.155
  284    H    ASP  39           H        ASP  39   4.684  -9.764  -8.284
  285    HA   ASP  39           HA       ASP  39   7.021 -10.747  -6.934
  286    HB2  ASP  39           HB2      ASP  39   7.847  -8.418  -7.318
  287    HB3  ASP  39           HB3      ASP  39   7.322  -9.262  -8.772
  288    H    GLY  40           H        GLY  40   4.108  -9.293  -5.849
  289    HA2  GLY  40           HA2      GLY  40   3.756  -9.486  -3.459
  290    HA3  GLY  40           HA3      GLY  40   5.426  -9.000  -3.224
  291    H    TRP  41           H        TRP  41   5.016  -6.806  -5.336
  292    HA   TRP  41           HA       TRP  41   3.887  -4.885  -3.465
  293    HB2  TRP  41           HB2      TRP  41   4.778  -4.197  -6.252
  294    HB3  TRP  41           HB3      TRP  41   4.765  -3.181  -4.821
  295    HD1  TRP  41           HD1      TRP  41   7.171  -4.482  -6.983
  296    HE1  TRP  41           HE1      TRP  41   9.424  -5.020  -5.865
  297    HE3  TRP  41           HE3      TRP  41   5.664  -4.575  -2.062
  298    HZ2  TRP  41           HZ2      TRP  41  10.426  -5.433  -3.266
  299    HZ3  TRP  41           HZ3      TRP  41   7.346  -5.049  -0.344
  300    HH2  TRP  41           HH2      TRP  41   9.673  -5.469  -0.928
  301    H    PHE  42           H        PHE  42   1.840  -4.118  -3.578
  302    HA   PHE  42           HA       PHE  42   0.179  -5.469  -5.588
  303    HB2  PHE  42           HB2      PHE  42  -0.487  -4.622  -2.771
  304    HB3  PHE  42           HB3      PHE  42  -1.587  -5.427  -3.876
  305    HD1  PHE  42           HD1      PHE  42  -0.025  -7.568  -5.030
  306    HD2  PHE  42           HD2      PHE  42   0.008  -6.037  -1.059
  307    HE1  PHE  42           HE1      PHE  42   0.724  -9.755  -4.199
  308    HE2  PHE  42           HE2      PHE  42   0.773  -8.219  -0.222
  309    HZ   PHE  42           HZ       PHE  42   1.130 -10.082  -1.793
  310    H    VAL  43           H        VAL  43  -1.954  -4.450  -6.019
  311    HA   VAL  43           HA       VAL  43  -1.719  -1.516  -6.140
  312    HB   VAL  43           HB       VAL  43  -2.890  -3.529  -8.010
  313   HG11  VAL  43          HG11      VAL  43  -3.910  -0.693  -7.771
  314   HG12  VAL  43          HG12      VAL  43  -4.841  -2.155  -7.443
  315   HG13  VAL  43          HG13      VAL  43  -4.285  -1.813  -9.082
  316   HG21  VAL  43          HG21      VAL  43  -1.908  -2.000  -9.645
  317   HG22  VAL  43          HG22      VAL  43  -0.728  -2.476  -8.418
  318   HG23  VAL  43          HG23      VAL  43  -1.505  -0.893  -8.330
  319    H    GLY  44           H        GLY  44  -3.221  -0.309  -5.118
  320    HA2  GLY  44           HA2      GLY  44  -5.652  -1.547  -4.069
  321    HA3  GLY  44           HA3      GLY  44  -4.424  -1.155  -2.878
  322    H    THR  45           H        THR  45  -6.462   0.059  -2.202
  323    HA   THR  45           HA       THR  45  -6.245   2.804  -3.214
  324    HB   THR  45           HB       THR  45  -8.798   1.336  -2.585
  325    HG1  THR  45           HG1      THR  45  -7.432   1.991  -4.916
  326   HG21  THR  45          HG21      THR  45  -9.909   3.437  -3.376
  327   HG22  THR  45          HG22      THR  45  -8.329   4.220  -3.332
  328   HG23  THR  45          HG23      THR  45  -9.051   3.606  -1.845
  329    H    SER  46           H        SER  46  -6.273   4.340  -1.655
  330    HA   SER  46           HA       SER  46  -5.825   3.519   1.050
  331    HB2  SER  46           HB2      SER  46  -4.608   5.436   0.138
  332    HB3  SER  46           HB3      SER  46  -6.120   6.274  -0.184
  333    HG   SER  46           HG       SER  46  -5.049   5.578   2.371
  334    H    ARG  47           H        ARG  47  -7.345   3.259   2.590
  335    HA   ARG  47           HA       ARG  47 -10.085   3.924   2.156
  336    HB2  ARG  47           HB2      ARG  47  -9.298   2.055   3.606
  337    HB3  ARG  47           HB3      ARG  47  -8.680   3.235   4.753
  338    HG2  ARG  47           HG2      ARG  47 -11.064   4.126   4.857
  339    HG3  ARG  47           HG3      ARG  47 -11.528   2.636   4.031
  340    HD2  ARG  47           HD2      ARG  47 -10.406   1.358   5.863
  341    HD3  ARG  47           HD3      ARG  47 -10.140   2.892   6.688
  342    HE   ARG  47           HE       ARG  47 -12.766   3.000   6.330
  343   HH11  ARG  47          HH11      ARG  47 -10.764   0.385   7.512
  344   HH12  ARG  47          HH12      ARG  47 -12.043  -0.351   8.433
  345   HH21  ARG  47          HH22      ARG  47 -14.445   2.055   7.546
  346   HH22  ARG  47          HH21      ARG  47 -14.125   0.623   8.484
  347    H    ARG  48           H        ARG  48  -7.351   5.539   3.480
  348    HA   ARG  48           HA       ARG  48  -8.674   7.473   5.074
  349    HB2  ARG  48           HB2      ARG  48  -6.417   7.093   5.554
  350    HB3  ARG  48           HB3      ARG  48  -5.942   7.198   3.870
  351    HG2  ARG  48           HG2      ARG  48  -6.442   9.628   3.943
  352    HG3  ARG  48           HG3      ARG  48  -6.735   9.461   5.674
  353    HD2  ARG  48           HD2      ARG  48  -4.488   8.744   6.057
  354    HD3  ARG  48           HD3      ARG  48  -4.179   8.635   4.329
  355    HE   ARG  48           HE       ARG  48  -4.886  11.257   5.401
  356   HH11  ARG  48          HH11      ARG  48  -2.386   9.068   4.277
  357   HH12  ARG  48          HH12      ARG  48  -1.225  10.326   4.009
  358   HH21  ARG  48          HH22      ARG  48  -3.363  12.925   4.995
  359   HH22  ARG  48          HH21      ARG  48  -1.790  12.509   4.368
  360    H    THR  49           H        THR  49  -7.344   7.613   1.773
  361    HA   THR  49           HA       THR  49  -8.729  10.189   1.465
  362    HB   THR  49           HB       THR  49  -6.521  10.841   1.641
  363    HG1  THR  49           HG1      THR  49  -6.426  10.421  -1.141
  364   HG21  THR  49          HG21      THR  49  -4.652   9.676   0.424
  365   HG22  THR  49          HG22      THR  49  -5.799   8.381   0.091
  366   HG23  THR  49          HG23      THR  49  -5.388   8.787   1.757
  367    H    LYS  50           H        LYS  50  -8.552   7.087   0.359
  368    HA   LYS  50           HA       LYS  50  -9.534   5.965  -1.315
  369    HB2  LYS  50           HB2      LYS  50 -10.989   8.539  -1.882
  370    HB3  LYS  50           HB3      LYS  50 -11.436   6.949  -2.471
  371    HG2  LYS  50           HG2      LYS  50 -11.583   8.009   0.331
  372    HG3  LYS  50           HG3      LYS  50 -12.883   7.392  -0.681
  373    HD2  LYS  50           HD2      LYS  50 -10.685   5.822   0.659
  374    HD3  LYS  50           HD3      LYS  50 -12.412   5.750   0.991
  375    HE2  LYS  50           HE2      LYS  50 -11.013   4.844  -1.510
  376    HE3  LYS  50           HE3      LYS  50 -11.716   3.811  -0.271
  377    HZ1  LYS  50           HZ1      LYS  50 -13.900   4.747  -0.821
  378    HZ2  LYS  50           HZ2      LYS  50 -13.189   3.962  -2.147
  379    HZ3  LYS  50           HZ3      LYS  50 -13.195   5.651  -2.069
  380    H    GLN  51           H        GLN  51  -7.037   6.913  -1.900
  381    HA   GLN  51           HA       GLN  51  -7.237   7.676  -4.722
  382    HB2  GLN  51           HB2      GLN  51  -4.595   7.617  -4.341
  383    HB3  GLN  51           HB3      GLN  51  -5.565   9.033  -3.964
  384    HG2  GLN  51           HG2      GLN  51  -5.620   8.424  -1.644
  385    HG3  GLN  51           HG3      GLN  51  -4.774   6.920  -1.981
  386   HE21  GLN  51          HE22      GLN  51  -4.046   9.996  -3.467
  387   HE22  GLN  51          HE21      GLN  51  -2.494  10.210  -2.722
  388    H    PHE  52           H        PHE  52  -6.153   6.436  -6.317
  389    HA   PHE  52           HA       PHE  52  -5.902   3.603  -5.544
  390    HB2  PHE  52           HB2      PHE  52  -7.930   3.830  -6.764
  391    HB3  PHE  52           HB3      PHE  52  -7.182   4.876  -7.962
  392    HD1  PHE  52           HD2      PHE  52  -6.785   1.415  -6.596
  393    HD2  PHE  52           HD1      PHE  52  -6.705   3.976  -9.994
  394    HE1  PHE  52           HE2      PHE  52  -6.410  -0.528  -8.048
  395    HE2  PHE  52           HE1      PHE  52  -6.323   2.035 -11.454
  396    HZ   PHE  52           HZ       PHE  52  -6.177  -0.223 -10.479
  397    H    GLY  53           H        GLY  53  -4.084   2.611  -6.075
  398    HA2  GLY  53           HA2      GLY  53  -2.586   3.047  -8.412
  399    HA3  GLY  53           HA3      GLY  53  -1.849   3.966  -7.108
  400    H    THR  54           H        THR  54  -0.007   2.716  -7.208
  401    HA   THR  54           HA       THR  54  -0.293  -0.082  -6.361
  402    HB   THR  54           HB       THR  54   0.926   0.001  -8.368
  403    HG1  THR  54           HG1      THR  54   3.221  -0.023  -6.822
  404   HG21  THR  54          HG21      THR  54   3.072   1.474  -8.436
  405   HG22  THR  54          HG22      THR  54   2.272   2.388  -7.153
  406   HG23  THR  54          HG23      THR  54   1.501   2.218  -8.731
  407    H    PHE  55           H        PHE  55   0.821  -0.852  -4.603
  408    HA   PHE  55           HA       PHE  55   2.491   0.966  -3.078
  409    HB2  PHE  55           HB2      PHE  55   1.271   0.777  -1.026
  410    HB3  PHE  55           HB3      PHE  55   0.151   1.341  -2.255
  411    HD1  PHE  55           HD1      PHE  55  -1.264  -0.545  -3.418
  412    HD2  PHE  55           HD2      PHE  55   0.674  -0.962   0.345
  413    HE1  PHE  55           HE1      PHE  55  -2.773  -2.406  -2.848
  414    HE2  PHE  55           HE2      PHE  55  -0.829  -2.822   0.918
  415    HZ   PHE  55           HZ       PHE  55  -2.551  -3.547  -0.681
  416    HA   PRO  56           HA       PRO  56   4.721  -2.814  -2.497
  417    HB2  PRO  56           HB3      PRO  56   5.783  -1.413  -0.115
  418    HB3  PRO  56           HB2      PRO  56   6.649  -2.108  -1.489
  419    HG2  PRO  56           HG2      PRO  56   6.399   0.544  -1.201
  420    HG3  PRO  56           HG3      PRO  56   6.365  -0.228  -2.797
  421    HD2  PRO  56           HD2      PRO  56   4.099   0.829  -1.156
  422    HD3  PRO  56           HD3      PRO  56   4.339   0.882  -2.914
  423    H    GLY  57           H        GLY  57   3.674  -4.530  -1.664
  424    HA2  GLY  57           HA2      GLY  57   1.924  -4.365   0.590
  425    HA3  GLY  57           HA3      GLY  57   2.400  -5.831  -0.251
  426    H    ASN  58           H        ASN  58   4.762  -3.679   1.045
  427    HA   ASN  58           HA       ASN  58   5.651  -5.775   2.889
  428    HB2  ASN  58           HB2      ASN  58   7.129  -4.816   1.012
  429    HB3  ASN  58           HB3      ASN  58   7.210  -3.352   1.989
  430   HD21  ASN  58          HD22      ASN  58   8.370  -3.375   3.930
  431   HD22  ASN  58          HD21      ASN  58   9.480  -4.640   4.318
  432    H    TYR  59           H        TYR  59   4.077  -2.800   2.800
  433    HA   TYR  59           HA       TYR  59   4.947  -2.081   5.527
  434    HB2  TYR  59           HB2      TYR  59   3.708  -0.279   3.439
  435    HB3  TYR  59           HB3      TYR  59   4.352   0.215   4.999
  436    HD1  TYR  59           HD2      TYR  59   6.908  -0.627   5.329
  437    HD2  TYR  59           HD1      TYR  59   5.010   0.173   1.613
  438    HE1  TYR  59           HE2      TYR  59   9.106  -0.266   4.296
  439    HE2  TYR  59           HE1      TYR  59   7.199   0.537   0.566
  440    HH   TYR  59           HH       TYR  59   9.501   1.159   1.250
  441    H    VAL  60           H        VAL  60   2.732  -3.898   4.472
  442    HA   VAL  60           HA       VAL  60   0.570  -2.732   6.042
  443    HB   VAL  60           HB       VAL  60  -1.125  -3.414   4.334
  444   HG11  VAL  60          HG11      VAL  60   0.845  -1.398   3.253
  445   HG12  VAL  60          HG12      VAL  60  -0.281  -1.066   4.569
  446   HG13  VAL  60          HG13      VAL  60  -0.894  -1.466   2.962
  447   HG21  VAL  60          HG21      VAL  60   1.332  -3.862   2.650
  448   HG22  VAL  60          HG22      VAL  60  -0.292  -3.680   1.988
  449   HG23  VAL  60          HG23      VAL  60   0.072  -5.022   3.067
  450    H    LYS  61           H        LYS  61  -1.031  -4.303   6.676
  451    HA   LYS  61           HA       LYS  61   0.063  -7.028   6.703
  452    HB2  LYS  61           HB2      LYS  61  -0.785  -7.230   9.041
  453    HB3  LYS  61           HB3      LYS  61   0.548  -6.109   8.842
  454    HG2  LYS  61           HG2      LYS  61  -1.146  -4.254   8.804
  455    HG3  LYS  61           HG3      LYS  61  -2.359  -5.454   9.252
  456    HD2  LYS  61           HD2      LYS  61  -1.770  -5.273  11.388
  457    HD3  LYS  61           HD3      LYS  61  -0.120  -5.747  10.977
  458    HE2  LYS  61           HE2      LYS  61  -0.127  -3.608  12.124
  459    HE3  LYS  61           HE3      LYS  61   0.425  -3.425  10.462
  460    HZ1  LYS  61           HZ1      LYS  61  -1.109  -1.672  11.138
  461    HZ2  LYS  61           HZ2      LYS  61  -2.320  -2.818  11.423
  462    HZ3  LYS  61           HZ3      LYS  61  -1.731  -2.578   9.854
  463    HA   PRO  62           HA       PRO  62  -3.835  -8.139   5.098
  464    HB2  PRO  62           HB3      PRO  62  -3.733 -10.819   5.675
  465    HB3  PRO  62           HB2      PRO  62  -2.906 -10.055   4.314
  466    HG2  PRO  62           HG2      PRO  62  -1.818 -10.994   6.900
  467    HG3  PRO  62           HG3      PRO  62  -1.038 -10.895   5.321
  468    HD2  PRO  62           HD2      PRO  62  -0.657  -9.148   7.428
  469    HD3  PRO  62           HD3      PRO  62  -0.281  -8.816   5.737
  470    H    LEU  63           H        LEU  63  -5.828  -8.051   5.821
  471    HA   LEU  63           HA       LEU  63  -6.300  -8.446   8.674
  472    HB2  LEU  63           HB2      LEU  63  -7.999  -7.143   6.549
  473    HB3  LEU  63           HB3      LEU  63  -8.392  -7.213   8.256
  474    HG   LEU  63           HG       LEU  63  -5.941  -5.845   7.163
  475   HD11  LEU  63          HD11      LEU  63  -8.571  -4.651   8.019
  476   HD12  LEU  63          HD12      LEU  63  -7.982  -4.786   6.361
  477   HD13  LEU  63          HD13      LEU  63  -7.129  -3.762   7.517
  478   HD21  LEU  63          HD21      LEU  63  -5.726  -6.559   9.476
  479   HD22  LEU  63          HD22      LEU  63  -7.259  -5.784   9.877
  480   HD23  LEU  63          HD23      LEU  63  -5.878  -4.805   9.384
  481    H    TYR  64           H        TYR  64  -9.140  -8.788   8.369
  482    HA   TYR  64           HA       TYR  64  -9.042 -11.678   8.211
  483    HB2  TYR  64           HB2      TYR  64 -11.396  -9.945   8.984
  484    HB3  TYR  64           HB3      TYR  64 -11.159 -11.652   9.346
  485    HD1  TYR  64           HD2      TYR  64  -9.164 -12.267  10.860
  486    HD2  TYR  64           HD1      TYR  64 -10.692  -8.312  10.488
  487    HE1  TYR  64           HE2      TYR  64  -8.077 -11.651  12.979
  488    HE2  TYR  64           HE1      TYR  64  -9.603  -7.688  12.600
  489    HH   TYR  64           HH       TYR  64  -8.798  -8.780  14.646
  490    H    LEU  65           H        LEU  65 -10.023  -9.120   6.196
  491    HA   LEU  65           HA       LEU  65 -11.592 -10.973   4.548
  492    HB2  LEU  65           HB2      LEU  65 -13.066  -9.184   3.875
  493    HB3  LEU  65           HB3      LEU  65 -13.082  -9.333   5.619
  494    HG   LEU  65           HG       LEU  65 -11.449  -7.241   4.178
  495   HD11  LEU  65          HD11      LEU  65 -13.233  -5.669   4.684
  496   HD12  LEU  65          HD12      LEU  65 -14.218  -6.974   5.344
  497   HD13  LEU  65          HD13      LEU  65 -13.817  -6.953   3.625
  498   HD21  LEU  65          HD21      LEU  65 -12.421  -7.431   7.028
  499   HD22  LEU  65          HD22      LEU  65 -11.458  -6.124   6.340
  500   HD23  LEU  65          HD23      LEU  65 -10.773  -7.742   6.486
  Start of MODEL    7
    1    H1   GLN   1           H1       GLN   1 -23.458  -9.271  -8.622
    2    H2   GLN   1           H2       GLN   1 -22.650 -10.509  -7.791
    3    H3   GLN   1           H3       GLN   1 -21.909  -8.991  -7.986
    4    HA   GLN   1           HA       GLN   1 -23.533  -7.946  -6.605
    5    HB2  GLN   1           HB2      GLN   1 -25.371  -9.527  -7.287
    6    HB3  GLN   1           HB3      GLN   1 -24.673 -10.718  -6.198
    7    HG2  GLN   1           HG2      GLN   1 -26.593  -9.553  -5.219
    8    HG3  GLN   1           HG3      GLN   1 -25.113  -9.300  -4.296
    9   HE21  GLN   1          HE22      GLN   1 -24.155  -7.278  -4.277
   10   HE22  GLN   1          HE21      GLN   1 -24.978  -5.854  -4.820
   11    H    THR   2           H        THR   2 -21.253 -10.345  -6.591
   12    HA   THR   2           HA       THR   2 -20.947 -10.306  -3.665
   13    HB   THR   2           HB       THR   2 -19.518 -12.124  -5.611
   14    HG1  THR   2           HG1      THR   2 -21.308 -13.584  -4.513
   15   HG21  THR   2          HG21      THR   2 -18.530 -11.959  -3.376
   16   HG22  THR   2          HG22      THR   2 -19.237 -13.553  -3.636
   17   HG23  THR   2          HG23      THR   2 -20.086 -12.362  -2.652
   18    H    SER   3           H        SER   3 -18.931  -9.703  -2.770
   19    HA   SER   3           HA       SER   3 -17.486  -7.815  -4.418
   20    HB2  SER   3           HB2      SER   3 -16.258  -7.451  -2.154
   21    HB3  SER   3           HB3      SER   3 -17.932  -6.922  -2.320
   22    HG   SER   3           HG       SER   3 -18.071  -8.059  -0.522
   23    H    GLN   4           H        GLN   4 -17.221 -10.852  -4.628
   24    HA   GLN   4           HA       GLN   4 -15.635 -12.356  -5.197
   25    HB2  GLN   4           HB2      GLN   4 -14.991 -10.587  -6.763
   26    HB3  GLN   4           HB3      GLN   4 -13.968  -9.852  -5.540
   27    HG2  GLN   4           HG2      GLN   4 -12.540 -11.019  -6.991
   28    HG3  GLN   4           HG3      GLN   4 -12.654 -11.975  -5.511
   29   HE21  GLN   4          HE22      GLN   4 -13.500 -11.767  -8.866
   30   HE22  GLN   4          HE21      GLN   4 -13.989 -13.413  -9.064
   31    H    ASP   5           H        ASP   5 -12.958 -10.509  -4.189
   32    HA   ASP   5           HA       ASP   5 -12.966 -11.592  -1.466
   33    HB2  ASP   5           HB2      ASP   5 -10.668 -11.732  -3.430
   34    HB3  ASP   5           HB3      ASP   5 -10.445 -11.872  -1.693
   35    H    LEU   6           H        LEU   6 -13.215  -9.802  -0.388
   36    HA   LEU   6           HA       LEU   6 -12.263  -7.281  -1.404
   37    HB2  LEU   6           HB2      LEU   6 -14.534  -7.602  -0.466
   38    HB3  LEU   6           HB3      LEU   6 -13.818  -7.889   1.111
   39    HG   LEU   6           HG       LEU   6 -12.865  -5.587   1.048
   40   HD11  LEU   6          HD11      LEU   6 -12.810  -5.304  -1.373
   41   HD12  LEU   6          HD12      LEU   6 -13.717  -4.003  -0.599
   42   HD13  LEU   6          HD13      LEU   6 -14.572  -5.310  -1.421
   43   HD21  LEU   6          HD21      LEU   6 -15.859  -5.779   0.736
   44   HD22  LEU   6          HD22      LEU   6 -14.985  -4.438   1.477
   45   HD23  LEU   6          HD23      LEU   6 -14.949  -6.035   2.225
   46    H    PHE   7           H        PHE   7 -10.123  -8.463  -1.103
   47    HA   PHE   7           HA       PHE   7  -8.909  -8.609   1.435
   48    HB2  PHE   7           HB2      PHE   7  -8.141  -9.024  -1.302
   49    HB3  PHE   7           HB3      PHE   7  -6.902  -8.069  -0.485
   50    HD1  PHE   7           HD1      PHE   7  -8.666 -11.284  -0.570
   51    HD2  PHE   7           HD2      PHE   7  -5.586  -9.011   1.284
   52    HE1  PHE   7           HE1      PHE   7  -7.784 -13.335   0.466
   53    HE2  PHE   7           HE2      PHE   7  -4.697 -11.055   2.326
   54    HZ   PHE   7           HZ       PHE   7  -5.795 -13.221   1.917
   55    H    SER   8           H        SER   8  -8.743  -6.924   2.733
   56    HA   SER   8           HA       SER   8  -7.499  -4.498   1.638
   57    HB2  SER   8           HB2      SER   8  -9.892  -4.243   2.492
   58    HB3  SER   8           HB3      SER   8  -9.257  -4.583   4.100
   59    HG   SER   8           HG       SER   8  -8.773  -2.391   2.412
   60    H    TYR   9           H        TYR   9  -5.827  -3.581   2.895
   61    HA   TYR   9           HA       TYR   9  -4.869  -5.300   5.095
   62    HB2  TYR   9           HB2      TYR   9  -3.151  -3.653   3.224
   63    HB3  TYR   9           HB3      TYR   9  -2.579  -4.684   4.522
   64    HD1  TYR   9           HD2      TYR   9  -4.090  -7.172   4.083
   65    HD2  TYR   9           HD1      TYR   9  -2.317  -4.503   1.313
   66    HE1  TYR   9           HE2      TYR   9  -3.835  -9.020   2.479
   67    HE2  TYR   9           HE1      TYR   9  -2.057  -6.323  -0.310
   68    HH   TYR   9           HH       TYR   9  -3.469  -9.465   0.227
   69    H    GLN  10           H        GLN  10  -3.734  -4.216   6.777
   70    HA   GLN  10           HA       GLN  10  -4.316  -1.337   6.920
   71    HB2  GLN  10           HB2      GLN  10  -5.282  -2.888   8.708
   72    HB3  GLN  10           HB3      GLN  10  -3.625  -3.087   9.269
   73    HG2  GLN  10           HG2      GLN  10  -3.451  -0.674   9.599
   74    HG3  GLN  10           HG3      GLN  10  -5.111  -0.480   9.052
   75   HE21  GLN  10          HE22      GLN  10  -3.978   0.256  11.603
   76   HE22  GLN  10          HE21      GLN  10  -4.862  -0.610  12.805
   77    H    ALA  11           H        ALA  11  -2.677   0.052   7.143
   78    HA   ALA  11           HA       ALA  11  -0.130  -0.860   6.282
   79    HB1  ALA  11           HB1      ALA  11   0.482   1.534   6.456
   80    HB2  ALA  11           HB2      ALA  11  -1.094   1.828   7.203
   81    HB3  ALA  11           HB3      ALA  11  -1.000   1.247   5.539
   82    H    LEU  12           H        LEU  12   1.674  -1.175   7.281
   83    HA   LEU  12           HA       LEU  12   1.771  -1.308  10.165
   84    HB2  LEU  12           HB2      LEU  12   3.575  -2.095   7.902
   85    HB3  LEU  12           HB3      LEU  12   4.164  -2.109   9.553
   86    HG   LEU  12           HG       LEU  12   1.631  -3.545   8.958
   87   HD11  LEU  12          HD11      LEU  12   4.367  -4.474   8.139
   88   HD12  LEU  12          HD12      LEU  12   2.912  -4.334   7.145
   89   HD13  LEU  12          HD13      LEU  12   3.011  -5.570   8.399
   90   HD21  LEU  12          HD21      LEU  12   3.992  -4.108  10.754
   91   HD22  LEU  12          HD22      LEU  12   2.499  -5.047  10.685
   92   HD23  LEU  12          HD23      LEU  12   2.465  -3.377  11.247
   93    H    TYR  13           H        TYR  13   3.056   0.680   7.595
   94    HA   TYR  13           HA       TYR  13   4.286   2.464   9.582
   95    HB2  TYR  13           HB2      TYR  13   5.685   1.757   7.002
   96    HB3  TYR  13           HB3      TYR  13   6.331   2.646   8.371
   97    HD1  TYR  13           HD2      TYR  13   7.096   1.442  10.380
   98    HD2  TYR  13           HD1      TYR  13   5.661  -0.641   6.960
   99    HE1  TYR  13           HE2      TYR  13   8.150  -0.628  11.198
  100    HE2  TYR  13           HE1      TYR  13   6.717  -2.704   7.760
  101    HH   TYR  13           HH       TYR  13   8.768  -3.218   9.308
  102    H    SER  14           H        SER  14   4.794   4.604   8.652
  103    HA   SER  14           HA       SER  14   2.996   5.354   6.478
  104    HB2  SER  14           HB2      SER  14   4.821   7.104   8.153
  105    HB3  SER  14           HB3      SER  14   3.566   7.651   7.043
  106    HG   SER  14           HG       SER  14   3.337   6.999   9.617
  107    H    TYR  15           H        TYR  15   3.760   5.217   4.470
  108    HA   TYR  15           HA       TYR  15   6.681   5.389   4.095
  109    HB2  TYR  15           HB2      TYR  15   5.648   3.083   3.835
  110    HB3  TYR  15           HB3      TYR  15   4.803   3.707   2.431
  111    HD1  TYR  15           HD2      TYR  15   8.194   3.141   3.828
  112    HD2  TYR  15           HD1      TYR  15   5.852   3.750   0.331
  113    HE1  TYR  15           HE2      TYR  15  10.144   2.596   2.438
  114    HE2  TYR  15           HE1      TYR  15   7.794   3.194  -1.071
  115    HH   TYR  15           HH       TYR  15  10.198   3.110  -0.966
  116    H    ILE  16           H        ILE  16   7.387   6.801   2.708
  117    HA   ILE  16           HA       ILE  16   5.503   8.349   1.128
  118    HB   ILE  16           HB       ILE  16   8.465   8.680   1.613
  119   HG12  ILE  16          HG12      ILE  16   7.130   9.125   3.592
  120   HG13  ILE  16          HG13      ILE  16   7.754  10.639   2.950
  121   HG21  ILE  16          HG21      ILE  16   6.574  10.528   0.162
  122   HG22  ILE  16          HG22      ILE  16   7.853   9.567  -0.579
  123   HG23  ILE  16          HG23      ILE  16   8.264  10.865   0.541
  124   HD11  ILE  16          HD11      ILE  16   5.594  11.117   1.946
  125   HD12  ILE  16          HD12      ILE  16   5.446  10.854   3.684
  126   HD13  ILE  16          HD13      ILE  16   4.965   9.587   2.556
  127    HA   PRO  17           HA       PRO  17   6.210   5.576  -2.331
  128    HB2  PRO  17           HB3      PRO  17   4.830   7.819  -3.712
  129    HB3  PRO  17           HB2      PRO  17   4.464   6.091  -3.730
  130    HG2  PRO  17           HG2      PRO  17   2.949   7.768  -2.339
  131    HG3  PRO  17           HG3      PRO  17   3.364   6.170  -1.688
  132    HD2  PRO  17           HD2      PRO  17   4.503   8.852  -1.000
  133    HD3  PRO  17           HD3      PRO  17   4.119   7.482   0.062
  134    H    GLN  18           H        GLN  18   7.487   5.561  -4.156
  135    HA   GLN  18           HA       GLN  18   9.431   7.734  -4.276
  136    HB2  GLN  18           HB2      GLN  18   9.477   4.962  -5.481
  137    HB3  GLN  18           HB3      GLN  18  10.809   6.113  -5.513
  138    HG2  GLN  18           HG2      GLN  18  11.137   5.956  -3.189
  139    HG3  GLN  18           HG3      GLN  18   9.595   5.139  -2.949
  140   HE21  GLN  18          HE22      GLN  18  11.811   4.341  -5.534
  141   HE22  GLN  18          HE21      GLN  18  12.254   2.780  -4.921
  142    H    ASN  19           H        ASN  19   6.814   6.354  -5.928
  143    HA   ASN  19           HA       ASN  19   7.242   8.228  -8.163
  144    HB2  ASN  19           HB2      ASN  19   6.272   5.387  -8.190
  145    HB3  ASN  19           HB3      ASN  19   5.759   6.510  -9.445
  146   HD21  ASN  19          HD22      ASN  19   8.288   7.964  -9.427
  147   HD22  ASN  19          HD21      ASN  19   9.440   6.929 -10.202
  148    H    ASP  20           H        ASP  20   5.429   9.300  -8.917
  149    HA   ASP  20           HA       ASP  20   3.297   9.628  -7.012
  150    HB2  ASP  20           HB2      ASP  20   2.443  11.315  -8.651
  151    HB3  ASP  20           HB3      ASP  20   4.097  11.604  -8.122
  152    H    ASP  21           H        ASP  21   3.700   7.120  -8.693
  153    HA   ASP  21           HA       ASP  21   0.951   6.900  -9.731
  154    HB2  ASP  21           HB2      ASP  21   2.901   6.373 -11.272
  155    HB3  ASP  21           HB3      ASP  21   3.262   5.010 -10.219
  156    H    GLU  22           H        GLU  22   2.871   6.295  -7.134
  157    HA   GLU  22           HA       GLU  22   1.643   3.768  -6.353
  158    HB2  GLU  22           HB2      GLU  22   3.813   5.479  -5.148
  159    HB3  GLU  22           HB3      GLU  22   3.140   4.087  -4.313
  160    HG2  GLU  22           HG2      GLU  22   3.934   2.599  -5.977
  161    HG3  GLU  22           HG3      GLU  22   4.387   3.929  -7.041
  162    H    LEU  23           H        LEU  23   1.085   3.664  -3.944
  163    HA   LEU  23           HA       LEU  23  -0.799   5.837  -3.344
  164    HB2  LEU  23           HB2      LEU  23  -1.405   3.288  -3.534
  165    HB3  LEU  23           HB3      LEU  23  -0.716   3.193  -1.930
  166    HG   LEU  23           HG       LEU  23  -3.258   3.468  -2.100
  167   HD11  LEU  23          HD11      LEU  23  -1.753   5.479  -0.446
  168   HD12  LEU  23          HD12      LEU  23  -1.975   3.781  -0.030
  169   HD13  LEU  23          HD13      LEU  23  -3.373   4.852  -0.136
  170   HD21  LEU  23          HD21      LEU  23  -3.245   5.198  -3.821
  171   HD22  LEU  23          HD22      LEU  23  -2.423   6.296  -2.711
  172   HD23  LEU  23          HD23      LEU  23  -4.067   5.753  -2.358
  173    H    GLU  24           H        GLU  24  -0.607   7.021  -1.483
  174    HA   GLU  24           HA       GLU  24   1.886   6.848  -0.073
  175    HB2  GLU  24           HB2      GLU  24  -0.377   8.738  -0.142
  176    HB3  GLU  24           HB3      GLU  24   0.487   8.635   1.389
  177    HG2  GLU  24           HG2      GLU  24   2.599   8.959   0.099
  178    HG3  GLU  24           HG3      GLU  24   1.601   9.337  -1.306
  179    H    LEU  25           H        LEU  25   2.268   5.544   1.514
  180    HA   LEU  25           HA       LEU  25   0.043   4.256   2.875
  181    HB2  LEU  25           HB2      LEU  25   3.012   3.752   3.049
  182    HB3  LEU  25           HB3      LEU  25   1.777   2.801   3.847
  183    HG   LEU  25           HG       LEU  25   2.061   3.085   0.855
  184   HD11  LEU  25          HD11      LEU  25   2.827   0.848   2.718
  185   HD12  LEU  25          HD12      LEU  25   3.901   1.814   1.710
  186   HD13  LEU  25          HD13      LEU  25   2.752   0.705   0.963
  187   HD21  LEU  25          HD21      LEU  25   0.397   1.304   0.753
  188   HD22  LEU  25          HD22      LEU  25  -0.245   2.722   1.582
  189   HD23  LEU  25          HD23      LEU  25   0.268   1.314   2.511
  190    H    ARG  26           H        ARG  26  -0.448   4.527   4.988
  191    HA   ARG  26           HA       ARG  26   1.230   6.378   6.535
  192    HB2  ARG  26           HB2      ARG  26  -0.850   7.399   5.427
  193    HB3  ARG  26           HB3      ARG  26  -1.778   6.452   6.572
  194    HG2  ARG  26           HG2      ARG  26  -0.871   7.652   8.411
  195    HG3  ARG  26           HG3      ARG  26   0.311   8.457   7.372
  196    HD2  ARG  26           HD2      ARG  26  -1.582   9.459   6.107
  197    HD3  ARG  26           HD3      ARG  26  -2.686   8.772   7.294
  198    HE   ARG  26           HE       ARG  26  -1.568  10.197   8.969
  199   HH11  ARG  26          HH11      ARG  26  -1.195  10.994   5.570
  200   HH12  ARG  26          HH12      ARG  26  -0.966  12.694   5.869
  201   HH21  ARG  26          HH22      ARG  26  -1.309  12.430   9.358
  202   HH22  ARG  26          HH21      ARG  26  -1.060  13.515   8.018
  203    H    ASP  27           H        ASP  27   1.374   5.915   8.658
  204    HA   ASP  27           HA       ASP  27   1.036   3.242   9.429
  205    HB2  ASP  27           HB2      ASP  27   2.749   4.457  10.510
  206    HB3  ASP  27           HB3      ASP  27   1.647   5.735  10.997
  207    H    GLY  28           H        GLY  28  -0.837   2.276   9.656
  208    HA2  GLY  28           HA2      GLY  28  -2.656   1.744  11.063
  209    HA3  GLY  28           HA3      GLY  28  -2.769   3.434  11.531
  210    H    ASP  29           H        ASP  29  -2.359   3.593   8.320
  211    HA   ASP  29           HA       ASP  29  -5.187   3.969   7.841
  212    HB2  ASP  29           HB2      ASP  29  -3.298   5.443   6.899
  213    HB3  ASP  29           HB3      ASP  29  -3.014   4.137   5.751
  214    H    ILE  30           H        ILE  30  -6.388   2.851   6.251
  215    HA   ILE  30           HA       ILE  30  -5.421   0.114   5.834
  216    HB   ILE  30           HB       ILE  30  -8.198   1.254   6.033
  217   HG12  ILE  30          HG12      ILE  30  -8.337  -0.744   7.665
  218   HG13  ILE  30          HG13      ILE  30  -6.582  -0.745   7.569
  219   HG21  ILE  30          HG21      ILE  30  -7.477  -1.524   5.129
  220   HG22  ILE  30          HG22      ILE  30  -8.217  -0.272   4.136
  221   HG23  ILE  30          HG23      ILE  30  -9.101  -0.951   5.500
  222   HD11  ILE  30          HD11      ILE  30  -7.293   0.478   9.511
  223   HD12  ILE  30          HD12      ILE  30  -8.336   1.503   8.523
  224   HD13  ILE  30          HD13      ILE  30  -6.587   1.589   8.341
  225    H    VAL  31           H        VAL  31  -5.357  -0.778   3.829
  226    HA   VAL  31           HA       VAL  31  -6.244   0.904   1.586
  227    HB   VAL  31           HB       VAL  31  -3.590  -0.490   1.860
  228   HG11  VAL  31          HG11      VAL  31  -3.223   0.032  -0.546
  229   HG12  VAL  31          HG12      VAL  31  -4.936   0.435  -0.684
  230   HG13  VAL  31          HG13      VAL  31  -4.445  -1.212  -0.282
  231   HG21  VAL  31          HG21      VAL  31  -2.719   1.674   1.186
  232   HG22  VAL  31          HG22      VAL  31  -3.788   1.856   2.578
  233   HG23  VAL  31          HG23      VAL  31  -4.361   2.280   0.962
  234    H    ASP  32           H        ASP  32  -7.492  -0.039   0.212
  235    HA   ASP  32           HA       ASP  32  -8.090  -2.876   0.420
  236    HB2  ASP  32           HB2      ASP  32  -9.911  -1.233   0.166
  237    HB3  ASP  32           HB3      ASP  32  -9.182  -0.680  -1.338
  238    H    VAL  33           H        VAL  33  -6.884  -4.275  -0.724
  239    HA   VAL  33           HA       VAL  33  -5.500  -3.331  -3.110
  240    HB   VAL  33           HB       VAL  33  -4.072  -4.548  -1.637
  241   HG11  VAL  33          HG11      VAL  33  -6.298  -6.500  -1.496
  242   HG12  VAL  33          HG12      VAL  33  -5.276  -5.834  -0.212
  243   HG13  VAL  33          HG13      VAL  33  -4.642  -7.074  -1.297
  244   HG21  VAL  33          HG21      VAL  33  -4.809  -6.366  -3.920
  245   HG22  VAL  33          HG22      VAL  33  -3.272  -6.341  -3.054
  246   HG23  VAL  33          HG23      VAL  33  -3.759  -4.951  -4.027
  247    H    MET  34           H        MET  34  -6.189  -3.695  -5.065
  248    HA   MET  34           HA       MET  34  -8.529  -5.403  -5.373
  249    HB2  MET  34           HB2      MET  34  -8.904  -4.247  -7.504
  250    HB3  MET  34           HB3      MET  34  -8.788  -3.134  -6.156
  251    HG2  MET  34           HG2      MET  34  -7.677  -2.117  -7.943
  252    HG3  MET  34           HG3      MET  34  -6.427  -2.684  -6.842
  253    HE1  MET  34           HE1      MET  34  -8.239  -3.779 -10.406
  254    HE2  MET  34           HE2      MET  34  -8.515  -4.924  -9.087
  255    HE3  MET  34           HE3      MET  34  -7.445  -5.361 -10.416
  256    H    GLU  35           H        GLU  35  -5.224  -5.016  -6.631
  257    HA   GLU  35           HA       GLU  35  -5.458  -7.829  -7.440
  258    HB2  GLU  35           HB2      GLU  35  -5.673  -6.345  -9.449
  259    HB3  GLU  35           HB3      GLU  35  -4.028  -5.794  -9.136
  260    HG2  GLU  35           HG2      GLU  35  -3.221  -8.088  -9.358
  261    HG3  GLU  35           HG3      GLU  35  -4.864  -8.631  -9.681
  262    H    LYS  36           H        LYS  36  -3.688  -9.041  -7.152
  263    HA   LYS  36           HA       LYS  36  -1.581  -7.789  -5.530
  264    HB2  LYS  36           HB2      LYS  36  -2.726 -10.577  -5.518
  265    HB3  LYS  36           HB3      LYS  36  -1.234 -10.160  -4.686
  266    HG2  LYS  36           HG2      LYS  36  -2.401  -8.590  -3.278
  267    HG3  LYS  36           HG3      LYS  36  -3.898  -8.856  -4.174
  268    HD2  LYS  36           HD2      LYS  36  -2.543 -11.203  -2.957
  269    HD3  LYS  36           HD3      LYS  36  -3.406 -10.094  -1.890
  270    HE2  LYS  36           HE2      LYS  36  -4.889 -11.876  -2.543
  271    HE3  LYS  36           HE3      LYS  36  -5.423 -10.374  -3.289
  272    HZ1  LYS  36           HZ1      LYS  36  -5.561 -12.102  -4.894
  273    HZ2  LYS  36           HZ2      LYS  36  -3.966 -12.607  -4.605
  274    HZ3  LYS  36           HZ3      LYS  36  -4.263 -11.111  -5.343
  275    H    CYS  37           H        CYS  37   0.186  -7.437  -6.680
  276    HA   CYS  37           HA       CYS  37   0.853  -8.929  -9.016
  277    HB2  CYS  37           HB2      CYS  37   2.676  -7.111  -7.443
  278    HB3  CYS  37           HB3      CYS  37   2.768  -7.518  -9.156
  279    HG   CYS  37           HG       CYS  37   1.403  -4.930  -7.851
  280    H    ASP  38           H        ASP  38   2.669 -10.282  -9.309
  281    HA   ASP  38           HA       ASP  38   2.953 -12.108  -7.110
  282    HB2  ASP  38           HB2      ASP  38   4.172 -13.521  -8.701
  283    HB3  ASP  38           HB3      ASP  38   2.658 -12.945  -9.393
  284    H    ASP  39           H        ASP  39   4.641  -9.344  -7.965
  285    HA   ASP  39           HA       ASP  39   7.198 -10.372  -7.014
  286    HB2  ASP  39           HB2      ASP  39   7.002  -8.799  -8.992
  287    HB3  ASP  39           HB3      ASP  39   6.591  -7.536  -7.836
  288    H    GLY  40           H        GLY  40   4.408  -8.864  -5.749
  289    HA2  GLY  40           HA2      GLY  40   4.320  -9.193  -3.304
  290    HA3  GLY  40           HA3      GLY  40   5.929  -8.494  -3.235
  291    H    TRP  41           H        TRP  41   4.982  -6.454  -5.316
  292    HA   TRP  41           HA       TRP  41   3.814  -4.665  -3.319
  293    HB2  TRP  41           HB2      TRP  41   4.606  -3.734  -6.046
  294    HB3  TRP  41           HB3      TRP  41   4.699  -2.890  -4.506
  295    HD1  TRP  41           HD1      TRP  41   6.890  -4.236  -6.983
  296    HE1  TRP  41           HE1      TRP  41   9.211  -4.830  -6.059
  297    HE3  TRP  41           HE3      TRP  41   5.824  -4.197  -1.956
  298    HZ2  TRP  41           HZ2      TRP  41  10.434  -5.224  -3.550
  299    HZ3  TRP  41           HZ3      TRP  41   7.634  -4.695  -0.380
  300    HH2  TRP  41           HH2      TRP  41   9.888  -5.199  -1.158
  301    H    PHE  42           H        PHE  42   1.706  -4.137  -3.382
  302    HA   PHE  42           HA       PHE  42   0.153  -5.483  -5.467
  303    HB2  PHE  42           HB2      PHE  42  -0.711  -4.605  -2.710
  304    HB3  PHE  42           HB3      PHE  42  -1.630  -5.602  -3.828
  305    HD1  PHE  42           HD1      PHE  42   0.245  -7.557  -4.773
  306    HD2  PHE  42           HD2      PHE  42  -0.148  -5.879  -0.883
  307    HE1  PHE  42           HE1      PHE  42   1.260  -9.577  -3.802
  308    HE2  PHE  42           HE2      PHE  42   0.865  -7.896   0.095
  309    HZ   PHE  42           HZ       PHE  42   1.572  -9.748  -1.366
  310    H    VAL  43           H        VAL  43  -2.037  -4.515  -5.909
  311    HA   VAL  43           HA       VAL  43  -1.779  -1.588  -6.150
  312    HB   VAL  43           HB       VAL  43  -2.894  -3.649  -8.007
  313   HG11  VAL  43          HG11      VAL  43  -3.813  -0.767  -7.970
  314   HG12  VAL  43          HG12      VAL  43  -4.822  -2.150  -7.538
  315   HG13  VAL  43          HG13      VAL  43  -4.216  -1.978  -9.188
  316   HG21  VAL  43          HG21      VAL  43  -1.803  -2.193  -9.637
  317   HG22  VAL  43          HG22      VAL  43  -0.690  -2.657  -8.341
  318   HG23  VAL  43          HG23      VAL  43  -1.444  -1.061  -8.331
  319    H    GLY  44           H        GLY  44  -3.308  -0.321  -5.264
  320    HA2  GLY  44           HA2      GLY  44  -5.957  -1.221  -4.764
  321    HA3  GLY  44           HA3      GLY  44  -5.011  -1.292  -3.292
  322    H    THR  45           H        THR  45  -6.537   0.202  -2.457
  323    HA   THR  45           HA       THR  45  -6.147   2.970  -3.331
  324    HB   THR  45           HB       THR  45  -8.785   1.604  -2.816
  325    HG1  THR  45           HG1      THR  45  -7.309   2.163  -5.057
  326   HG21  THR  45          HG21      THR  45  -9.807   3.750  -3.496
  327   HG22  THR  45          HG22      THR  45  -8.203   4.481  -3.486
  328   HG23  THR  45          HG23      THR  45  -8.901   3.873  -1.986
  329    H    SER  46           H        SER  46  -6.222   4.467  -1.711
  330    HA   SER  46           HA       SER  46  -5.819   3.571   0.969
  331    HB2  SER  46           HB2      SER  46  -4.674   5.565   0.165
  332    HB3  SER  46           HB3      SER  46  -6.219   6.341  -0.180
  333    HG   SER  46           HG       SER  46  -5.187   5.629   2.384
  334    H    ARG  47           H        ARG  47  -7.272   3.413   2.600
  335    HA   ARG  47           HA       ARG  47 -10.068   3.532   2.046
  336    HB2  ARG  47           HB2      ARG  47  -9.114   1.926   3.624
  337    HB3  ARG  47           HB3      ARG  47  -8.571   3.237   4.655
  338    HG2  ARG  47           HG2      ARG  47 -11.058   3.872   4.799
  339    HG3  ARG  47           HG3      ARG  47 -11.346   2.242   4.184
  340    HD2  ARG  47           HD2      ARG  47 -10.077   1.299   6.034
  341    HD3  ARG  47           HD3      ARG  47  -9.716   2.917   6.618
  342    HE   ARG  47           HE       ARG  47 -12.536   2.313   6.403
  343   HH11  ARG  47          HH11      ARG  47  -9.700   2.328   8.441
  344   HH12  ARG  47          HH12      ARG  47 -10.593   2.247   9.926
  345   HH21  ARG  47          HH22      ARG  47 -13.736   2.177   8.348
  346   HH22  ARG  47          HH21      ARG  47 -12.895   2.206   9.877
  347    H    ARG  48           H        ARG  48  -7.770   5.783   3.343
  348    HA   ARG  48           HA       ARG  48  -9.768   7.355   4.739
  349    HB2  ARG  48           HB2      ARG  48  -7.357   6.966   5.490
  350    HB3  ARG  48           HB3      ARG  48  -6.893   8.113   4.244
  351    HG2  ARG  48           HG2      ARG  48  -8.280   9.819   5.303
  352    HG3  ARG  48           HG3      ARG  48  -8.693   8.668   6.581
  353    HD2  ARG  48           HD2      ARG  48  -5.962   9.694   5.875
  354    HD3  ARG  48           HD3      ARG  48  -6.884  10.077   7.333
  355    HE   ARG  48           HE       ARG  48  -5.985   7.323   6.714
  356   HH11  ARG  48          HH11      ARG  48  -6.289  10.024   8.949
  357   HH12  ARG  48          HH12      ARG  48  -5.525   9.175  10.259
  358   HH21  ARG  48          HH22      ARG  48  -4.990   6.234   8.424
  359   HH22  ARG  48          HH21      ARG  48  -4.748   7.032   9.951
  360    H    THR  49           H        THR  49  -7.568   7.816   1.995
  361    HA   THR  49           HA       THR  49  -9.045  10.268   1.349
  362    HB   THR  49           HB       THR  49  -6.818  10.857   1.677
  363    HG1  THR  49           HG1      THR  49  -6.844  10.406  -1.135
  364   HG21  THR  49          HG21      THR  49  -4.909   9.670   0.635
  365   HG22  THR  49          HG22      THR  49  -6.036   8.431   0.083
  366   HG23  THR  49          HG23      THR  49  -5.803   8.701   1.810
  367    H    LYS  50           H        LYS  50  -8.599   7.095   0.353
  368    HA   LYS  50           HA       LYS  50  -9.508   5.869  -1.300
  369    HB2  LYS  50           HB2      LYS  50 -11.072   8.351  -2.007
  370    HB3  LYS  50           HB3      LYS  50 -11.443   6.706  -2.500
  371    HG2  LYS  50           HG2      LYS  50 -11.651   7.924   0.238
  372    HG3  LYS  50           HG3      LYS  50 -12.929   7.214  -0.746
  373    HD2  LYS  50           HD2      LYS  50 -10.670   5.780   0.648
  374    HD3  LYS  50           HD3      LYS  50 -12.390   5.691   1.026
  375    HE2  LYS  50           HE2      LYS  50 -11.077   4.727  -1.506
  376    HE3  LYS  50           HE3      LYS  50 -11.607   3.707  -0.171
  377    HZ1  LYS  50           HZ1      LYS  50 -13.878   4.394  -0.565
  378    HZ2  LYS  50           HZ2      LYS  50 -13.222   3.732  -1.981
  379    HZ3  LYS  50           HZ3      LYS  50 -13.395   5.413  -1.827
  380    H    GLN  51           H        GLN  51  -7.027   7.125  -1.861
  381    HA   GLN  51           HA       GLN  51  -7.245   7.725  -4.711
  382    HB2  GLN  51           HB2      GLN  51  -4.621   7.901  -4.354
  383    HB3  GLN  51           HB3      GLN  51  -5.701   9.234  -3.982
  384    HG2  GLN  51           HG2      GLN  51  -5.658   8.621  -1.634
  385    HG3  GLN  51           HG3      GLN  51  -4.609   7.254  -2.005
  386   HE21  GLN  51          HE22      GLN  51  -3.141   8.828  -4.041
  387   HE22  GLN  51          HE21      GLN  51  -2.103   9.882  -3.138
  388    H    PHE  52           H        PHE  52  -6.012   6.542  -6.259
  389    HA   PHE  52           HA       PHE  52  -5.752   3.715  -5.464
  390    HB2  PHE  52           HB2      PHE  52  -7.724   3.923  -6.765
  391    HB3  PHE  52           HB3      PHE  52  -6.946   4.994  -7.918
  392    HD1  PHE  52           HD2      PHE  52  -6.632   1.501  -6.613
  393    HD2  PHE  52           HD1      PHE  52  -6.318   4.140  -9.939
  394    HE1  PHE  52           HE2      PHE  52  -6.169  -0.410  -8.083
  395    HE2  PHE  52           HE1      PHE  52  -5.851   2.227 -11.415
  396    HZ   PHE  52           HZ       PHE  52  -5.778  -0.051 -10.485
  397    H    GLY  53           H        GLY  53  -4.037   2.560  -6.165
  398    HA2  GLY  53           HA2      GLY  53  -2.525   2.968  -8.448
  399    HA3  GLY  53           HA3      GLY  53  -1.720   3.874  -7.173
  400    H    THR  54           H        THR  54   0.065   2.552  -7.244
  401    HA   THR  54           HA       THR  54  -0.321  -0.205  -6.317
  402    HB   THR  54           HB       THR  54   0.969  -0.222  -8.291
  403    HG1  THR  54           HG1      THR  54   3.159  -0.219  -6.577
  404   HG21  THR  54          HG21      THR  54   3.152   1.189  -8.336
  405   HG22  THR  54          HG22      THR  54   2.337   2.172  -7.116
  406   HG23  THR  54          HG23      THR  54   1.614   1.963  -8.716
  407    H    PHE  55           H        PHE  55   0.705  -0.924  -4.475
  408    HA   PHE  55           HA       PHE  55   2.314   0.971  -2.963
  409    HB2  PHE  55           HB2      PHE  55   1.008   0.744  -0.942
  410    HB3  PHE  55           HB3      PHE  55  -0.048   1.293  -2.227
  411    HD1  PHE  55           HD1      PHE  55  -1.464  -0.475  -3.415
  412    HD2  PHE  55           HD2      PHE  55   0.474  -1.141   0.309
  413    HE1  PHE  55           HE1      PHE  55  -2.984  -2.357  -2.964
  414    HE2  PHE  55           HE2      PHE  55  -1.039  -3.023   0.765
  415    HZ   PHE  55           HZ       PHE  55  -2.767  -3.637  -0.874
  416    HA   PRO  56           HA       PRO  56   4.684  -2.687  -2.286
  417    HB2  PRO  56           HB3      PRO  56   5.617  -1.280   0.140
  418    HB3  PRO  56           HB2      PRO  56   6.545  -1.902  -1.230
  419    HG2  PRO  56           HG2      PRO  56   6.145   0.725  -0.884
  420    HG3  PRO  56           HG3      PRO  56   6.200  -0.004  -2.498
  421    HD2  PRO  56           HD2      PRO  56   3.837   0.891  -0.899
  422    HD3  PRO  56           HD3      PRO  56   4.120   1.000  -2.648
  423    H    GLY  57           H        GLY  57   3.540  -4.403  -1.593
  424    HA2  GLY  57           HA2      GLY  57   1.750  -4.357   0.613
  425    HA3  GLY  57           HA3      GLY  57   2.268  -5.783  -0.271
  426    H    ASN  58           H        ASN  58   4.945  -4.177   0.745
  427    HA   ASN  58           HA       ASN  58   5.614  -6.145   2.709
  428    HB2  ASN  58           HB2      ASN  58   7.184  -5.053   1.029
  429    HB3  ASN  58           HB3      ASN  58   7.096  -3.601   2.021
  430   HD21  ASN  58          HD22      ASN  58   8.319  -6.830   1.776
  431   HD22  ASN  58          HD21      ASN  58   9.391  -6.745   3.137
  432    H    TYR  59           H        TYR  59   4.215  -2.992   2.725
  433    HA   TYR  59           HA       TYR  59   4.914  -2.587   5.561
  434    HB2  TYR  59           HB2      TYR  59   3.947  -0.506   3.597
  435    HB3  TYR  59           HB3      TYR  59   4.606  -0.227   5.203
  436    HD1  TYR  59           HD2      TYR  59   7.076  -1.170   5.543
  437    HD2  TYR  59           HD1      TYR  59   5.313  -0.255   1.786
  438    HE1  TYR  59           HE2      TYR  59   9.316  -0.973   4.548
  439    HE2  TYR  59           HE1      TYR  59   7.538  -0.053   0.780
  440    HH   TYR  59           HH       TYR  59   9.842   0.367   1.449
  441    H    VAL  60           H        VAL  60   2.637  -4.190   4.463
  442    HA   VAL  60           HA       VAL  60   0.534  -2.916   6.028
  443    HB   VAL  60           HB       VAL  60  -1.195  -3.430   4.300
  444   HG11  VAL  60          HG11      VAL  60   0.892  -1.545   3.209
  445   HG12  VAL  60          HG12      VAL  60  -0.131  -1.152   4.591
  446   HG13  VAL  60          HG13      VAL  60  -0.860  -1.459   3.009
  447   HG21  VAL  60          HG21      VAL  60   1.230  -4.023   2.616
  448   HG22  VAL  60          HG22      VAL  60  -0.362  -3.676   1.941
  449   HG23  VAL  60          HG23      VAL  60  -0.134  -5.079   2.979
  450    H    LYS  61           H        LYS  61  -1.152  -4.447   6.632
  451    HA   LYS  61           HA       LYS  61  -0.230  -7.241   6.489
  452    HB2  LYS  61           HB2      LYS  61  -1.416  -7.289   8.881
  453    HB3  LYS  61           HB3      LYS  61   0.290  -6.932   8.674
  454    HG2  LYS  61           HG2      LYS  61  -0.133  -4.573   8.848
  455    HG3  LYS  61           HG3      LYS  61  -1.876  -4.848   8.913
  456    HD2  LYS  61           HD2      LYS  61  -0.696  -4.426  11.116
  457    HD3  LYS  61           HD3      LYS  61  -1.734  -5.851  11.043
  458    HE2  LYS  61           HE2      LYS  61   0.238  -7.257  10.669
  459    HE3  LYS  61           HE3      LYS  61   1.267  -5.828  10.724
  460    HZ1  LYS  61           HZ1      LYS  61   0.595  -5.466  13.011
  461    HZ2  LYS  61           HZ2      LYS  61   1.274  -7.008  12.829
  462    HZ3  LYS  61           HZ3      LYS  61  -0.409  -6.828  12.964
  463    HA   PRO  62           HA       PRO  62  -4.164  -8.238   4.901
  464    HB2  PRO  62           HB3      PRO  62  -3.846 -10.844   6.242
  465    HB3  PRO  62           HB2      PRO  62  -4.018 -10.477   4.526
  466    HG2  PRO  62           HG2      PRO  62  -1.676 -11.263   5.547
  467    HG3  PRO  62           HG3      PRO  62  -1.763 -10.048   4.257
  468    HD2  PRO  62           HD2      PRO  62  -1.327  -9.666   7.193
  469    HD3  PRO  62           HD3      PRO  62  -0.543  -8.853   5.822
  470    H    LEU  63           H        LEU  63  -6.060  -7.642   5.613
  471    HA   LEU  63           HA       LEU  63  -6.818  -8.065   8.398
  472    HB2  LEU  63           HB2      LEU  63  -8.169  -6.553   6.159
  473    HB3  LEU  63           HB3      LEU  63  -8.758  -6.635   7.807
  474    HG   LEU  63           HG       LEU  63  -6.109  -5.439   7.008
  475   HD11  LEU  63          HD11      LEU  63  -8.661  -4.039   7.775
  476   HD12  LEU  63          HD12      LEU  63  -8.087  -4.240   6.121
  477   HD13  LEU  63          HD13      LEU  63  -7.141  -3.293   7.272
  478   HD21  LEU  63          HD21      LEU  63  -6.144  -6.274   9.294
  479   HD22  LEU  63          HD22      LEU  63  -7.643  -5.397   9.605
  480   HD23  LEU  63          HD23      LEU  63  -6.155  -4.510   9.279
  481    H    TYR  64           H        TYR  64  -9.601  -8.200   8.012
  482    HA   TYR  64           HA       TYR  64  -9.822 -10.900   6.866
  483    HB2  TYR  64           HB2      TYR  64 -11.584 -11.262   8.708
  484    HB3  TYR  64           HB3      TYR  64  -9.887 -11.327   9.155
  485    HD1  TYR  64           HD2      TYR  64 -12.993  -9.374   9.405
  486    HD2  TYR  64           HD1      TYR  64  -8.913  -9.637  10.588
  487    HE1  TYR  64           HE2      TYR  64 -13.385  -7.658  11.123
  488    HE2  TYR  64           HE1      TYR  64  -9.296  -7.927  12.308
  489    HH   TYR  64           HH       TYR  64 -12.419  -6.891  13.220
  490    H    LEU  65           H        LEU  65 -11.700 -11.491   5.921
  491    HA   LEU  65           HA       LEU  65 -13.666  -9.360   5.443
  492    HB2  LEU  65           HB2      LEU  65 -13.960 -10.343   3.119
  493    HB3  LEU  65           HB3      LEU  65 -12.498  -9.424   3.399
  494    HG   LEU  65           HG       LEU  65 -12.449 -12.418   3.623
  495   HD11  LEU  65          HD11      LEU  65 -11.874 -12.543   1.252
  496   HD12  LEU  65          HD12      LEU  65 -12.193 -10.817   1.080
  497   HD13  LEU  65          HD13      LEU  65 -13.509 -11.921   1.477
  498   HD21  LEU  65          HD21      LEU  65 -10.129 -12.117   2.968
  499   HD22  LEU  65          HD22      LEU  65 -10.496 -11.104   4.365
  500   HD23  LEU  65          HD23      LEU  65 -10.388 -10.386   2.756
  Start of MODEL    8
    1    H1   GLN   1           H1       GLN   1 -19.233  -1.247  -6.565
    2    H2   GLN   1           H2       GLN   1 -18.507  -1.816  -7.987
    3    H3   GLN   1           H3       GLN   1 -18.611  -0.146  -7.692
    4    HA   GLN   1           HA       GLN   1 -16.379  -1.135  -7.322
    5    HB2  GLN   1           HB2      GLN   1 -17.157   0.997  -6.267
    6    HB3  GLN   1           HB3      GLN   1 -17.685   0.067  -4.871
    7    HG2  GLN   1           HG2      GLN   1 -15.358  -0.687  -4.543
    8    HG3  GLN   1           HG3      GLN   1 -14.866   0.347  -5.883
    9   HE21  GLN   1          HE22      GLN   1 -17.324   1.169  -3.531
   10   HE22  GLN   1          HE21      GLN   1 -16.451   2.468  -2.793
   11    H    THR   2           H        THR   2 -18.525  -1.751  -4.541
   12    HA   THR   2           HA       THR   2 -18.743  -3.515  -3.135
   13    HB   THR   2           HB       THR   2 -17.428  -5.225  -5.252
   14    HG1  THR   2           HG1      THR   2 -20.028  -5.407  -5.515
   15   HG21  THR   2          HG21      THR   2 -18.907  -6.967  -4.345
   16   HG22  THR   2          HG22      THR   2 -19.522  -5.819  -3.154
   17   HG23  THR   2          HG23      THR   2 -17.832  -6.321  -3.102
   18    H    SER   3           H        SER   3 -16.889  -2.115  -2.155
   19    HA   SER   3           HA       SER   3 -14.396  -3.592  -1.894
   20    HB2  SER   3           HB2      SER   3 -15.334  -1.065  -0.508
   21    HB3  SER   3           HB3      SER   3 -13.703  -1.731  -0.439
   22    HG   SER   3           HG       SER   3 -13.747  -0.148  -2.010
   23    H    GLN   4           H        GLN   4 -16.387  -5.187  -1.164
   24    HA   GLN   4           HA       GLN   4 -16.716  -5.077   1.729
   25    HB2  GLN   4           HB2      GLN   4 -18.685  -5.569   0.395
   26    HB3  GLN   4           HB3      GLN   4 -17.865  -6.915  -0.379
   27    HG2  GLN   4           HG2      GLN   4 -19.372  -7.775   1.248
   28    HG3  GLN   4           HG3      GLN   4 -17.716  -8.027   1.812
   29   HE21  GLN   4          HE22      GLN   4 -19.296  -4.918   1.900
   30   HE22  GLN   4          HE21      GLN   4 -19.455  -4.817   3.618
   31    H    ASP   5           H        ASP   5 -16.556  -8.146   0.111
   32    HA   ASP   5           HA       ASP   5 -14.223  -8.972   1.580
   33    HB2  ASP   5           HB2      ASP   5 -15.701 -10.332  -0.686
   34    HB3  ASP   5           HB3      ASP   5 -14.431 -11.072   0.281
   35    H    LEU   6           H        LEU   6 -13.511  -6.754   0.200
   36    HA   LEU   6           HA       LEU   6 -11.979  -7.729  -2.110
   37    HB2  LEU   6           HB2      LEU   6 -13.572  -5.906  -2.578
   38    HB3  LEU   6           HB3      LEU   6 -12.765  -4.902  -1.391
   39    HG   LEU   6           HG       LEU   6 -10.709  -4.958  -2.776
   40   HD11  LEU   6          HD11      LEU   6 -12.452  -6.388  -4.779
   41   HD12  LEU   6          HD12      LEU   6 -11.102  -7.097  -3.893
   42   HD13  LEU   6          HD13      LEU   6 -10.812  -5.802  -5.054
   43   HD21  LEU   6          HD21      LEU   6 -12.313  -3.122  -2.987
   44   HD22  LEU   6          HD22      LEU   6 -13.179  -4.020  -4.236
   45   HD23  LEU   6          HD23      LEU   6 -11.526  -3.473  -4.527
   46    H    PHE   7           H        PHE   7 -10.771  -8.619  -0.253
   47    HA   PHE   7           HA       PHE   7  -9.180  -8.417   1.501
   48    HB2  PHE   7           HB2      PHE   7  -8.414  -8.929  -1.134
   49    HB3  PHE   7           HB3      PHE   7  -7.166  -7.860  -0.489
   50    HD1  PHE   7           HD2      PHE   7  -6.343  -8.507   1.938
   51    HD2  PHE   7           HD1      PHE   7  -8.174 -11.186  -0.817
   52    HE1  PHE   7           HE2      PHE   7  -5.325 -10.411   3.118
   53    HE2  PHE   7           HE1      PHE   7  -7.163 -13.093   0.362
   54    HZ   PHE   7           HZ       PHE   7  -5.735 -12.710   2.332
   55    H    SER   8           H        SER   8  -8.920  -6.848   2.929
   56    HA   SER   8           HA       SER   8  -7.664  -4.362   1.975
   57    HB2  SER   8           HB2      SER   8 -10.071  -4.325   2.950
   58    HB3  SER   8           HB3      SER   8  -9.273  -4.543   4.505
   59    HG   SER   8           HG       SER   8  -9.355  -2.357   2.812
   60    H    TYR   9           H        TYR   9  -5.949  -3.540   3.103
   61    HA   TYR   9           HA       TYR   9  -4.965  -5.139   5.380
   62    HB2  TYR   9           HB2      TYR   9  -3.276  -3.632   3.373
   63    HB3  TYR   9           HB3      TYR   9  -2.680  -4.554   4.743
   64    HD1  TYR   9           HD2      TYR   9  -4.232  -7.073   4.479
   65    HD2  TYR   9           HD1      TYR   9  -2.388  -4.627   1.543
   66    HE1  TYR   9           HE2      TYR   9  -3.970  -9.032   3.016
   67    HE2  TYR   9           HE1      TYR   9  -2.118  -6.572   0.068
   68    HH   TYR   9           HH       TYR   9  -1.967  -9.066   0.329
   69    H    GLN  10           H        GLN  10  -3.907  -3.951   7.031
   70    HA   GLN  10           HA       GLN  10  -4.355  -1.041   6.901
   71    HB2  GLN  10           HB2      GLN  10  -5.446  -2.388   8.787
   72    HB3  GLN  10           HB3      GLN  10  -3.819  -2.600   9.423
   73    HG2  GLN  10           HG2      GLN  10  -3.563  -0.154   9.494
   74    HG3  GLN  10           HG3      GLN  10  -5.226   0.015   8.956
   75   HE21  GLN  10          HE22      GLN  10  -6.904  -0.538  10.361
   76   HE22  GLN  10          HE21      GLN  10  -6.656  -0.697  12.065
   77    H    ALA  11           H        ALA  11  -2.634   0.306   7.214
   78    HA   ALA  11           HA       ALA  11  -0.129  -0.737   6.393
   79    HB1  ALA  11           HB1      ALA  11   0.610   1.610   6.583
   80    HB2  ALA  11           HB2      ALA  11  -0.941   1.989   7.344
   81    HB3  ALA  11           HB3      ALA  11  -0.892   1.423   5.672
   82    H    LEU  12           H        LEU  12   1.722  -1.046   7.414
   83    HA   LEU  12           HA       LEU  12   1.764  -1.071  10.335
   84    HB2  LEU  12           HB2      LEU  12   3.651  -2.159   8.251
   85    HB3  LEU  12           HB3      LEU  12   3.937  -2.265   9.977
   86    HG   LEU  12           HG       LEU  12   1.357  -3.337   9.054
   87   HD11  LEU  12          HD11      LEU  12   3.979  -4.646   8.359
   88   HD12  LEU  12          HD12      LEU  12   2.736  -4.082   7.236
   89   HD13  LEU  12          HD13      LEU  12   2.404  -5.446   8.308
   90   HD21  LEU  12          HD21      LEU  12   3.527  -4.334  10.895
   91   HD22  LEU  12          HD22      LEU  12   1.949  -5.088  10.670
   92   HD23  LEU  12          HD23      LEU  12   2.065  -3.477  11.379
   93    H    TYR  13           H        TYR  13   3.137   0.600   7.613
   94    HA   TYR  13           HA       TYR  13   4.798   2.223   9.411
   95    HB2  TYR  13           HB2      TYR  13   5.688   1.103   6.745
   96    HB3  TYR  13           HB3      TYR  13   6.599   2.244   7.719
   97    HD1  TYR  13           HD2      TYR  13   7.708   1.520   9.775
   98    HD2  TYR  13           HD1      TYR  13   5.588  -1.247   7.333
   99    HE1  TYR  13           HE2      TYR  13   8.808  -0.344  10.939
  100    HE2  TYR  13           HE1      TYR  13   6.685  -3.117   8.490
  101    HH   TYR  13           HH       TYR  13   8.353  -2.755  11.392
  102    H    SER  14           H        SER  14   5.537   4.238   8.331
  103    HA   SER  14           HA       SER  14   3.439   5.278   6.584
  104    HB2  SER  14           HB2      SER  14   4.725   7.494   7.203
  105    HB3  SER  14           HB3      SER  14   3.620   6.751   8.360
  106    HG   SER  14           HG       SER  14   5.839   7.392   9.090
  107    H    TYR  15           H        TYR  15   3.865   5.537   4.462
  108    HA   TYR  15           HA       TYR  15   6.695   5.526   3.610
  109    HB2  TYR  15           HB2      TYR  15   5.832   3.330   3.168
  110    HB3  TYR  15           HB3      TYR  15   4.375   3.981   2.457
  111    HD1  TYR  15           HD2      TYR  15   8.022   3.577   1.909
  112    HD2  TYR  15           HD1      TYR  15   4.254   4.521   0.190
  113    HE1  TYR  15           HE2      TYR  15   9.011   3.421  -0.340
  114    HE2  TYR  15           HE1      TYR  15   5.224   4.355  -2.056
  115    HH   TYR  15           HH       TYR  15   7.196   4.320  -3.218
  116    H    ILE  16           H        ILE  16   7.264   6.848   2.023
  117    HA   ILE  16           HA       ILE  16   5.225   8.696   0.987
  118    HB   ILE  16           HB       ILE  16   8.211   9.058   1.295
  119   HG12  ILE  16          HG12      ILE  16   7.048   9.205   3.424
  120   HG13  ILE  16          HG13      ILE  16   7.570  10.811   2.931
  121   HG21  ILE  16          HG21      ILE  16   7.839  11.367   0.548
  122   HG22  ILE  16          HG22      ILE  16   6.146  10.984   0.238
  123   HG23  ILE  16          HG23      ILE  16   7.414  10.196  -0.702
  124   HD11  ILE  16          HD11      ILE  16   5.305  11.304   2.161
  125   HD12  ILE  16          HD12      ILE  16   5.335  10.867   3.869
  126   HD13  ILE  16          HD13      ILE  16   4.789   9.696   2.668
  127    HA   PRO  17           HA       PRO  17   5.850   6.260  -2.735
  128    HB2  PRO  17           HB3      PRO  17   4.074   8.379  -3.800
  129    HB3  PRO  17           HB2      PRO  17   3.896   6.623  -3.864
  130    HG2  PRO  17           HG2      PRO  17   2.389   8.085  -2.231
  131    HG3  PRO  17           HG3      PRO  17   3.013   6.504  -1.721
  132    HD2  PRO  17           HD2      PRO  17   3.976   9.246  -1.013
  133    HD3  PRO  17           HD3      PRO  17   3.830   7.801   0.009
  134    H    GLN  18           H        GLN  18   7.078   6.446  -4.486
  135    HA   GLN  18           HA       GLN  18   8.577   8.905  -4.844
  136    HB2  GLN  18           HB2      GLN  18   8.830   6.223  -6.215
  137    HB3  GLN  18           HB3      GLN  18   9.960   7.562  -6.370
  138    HG2  GLN  18           HG2      GLN  18   9.331   6.128  -3.798
  139    HG3  GLN  18           HG3      GLN  18  10.733   5.804  -4.823
  140   HE21  GLN  18          HE22      GLN  18  12.402   7.320  -4.918
  141   HE22  GLN  18          HE21      GLN  18  12.552   8.596  -3.760
  142    H    ASN  19           H        ASN  19   5.942   7.271  -6.131
  143    HA   ASN  19           HA       ASN  19   5.808   9.105  -8.419
  144    HB2  ASN  19           HB2      ASN  19   5.241   6.136  -8.409
  145    HB3  ASN  19           HB3      ASN  19   4.802   7.210  -9.732
  146   HD21  ASN  19          HD22      ASN  19   7.332   5.529  -8.111
  147   HD22  ASN  19          HD21      ASN  19   8.578   5.840  -9.283
  148    H    ASP  20           H        ASP  20   3.686   9.663  -9.035
  149    HA   ASP  20           HA       ASP  20   1.759   9.665  -6.920
  150    HB2  ASP  20           HB2      ASP  20   0.344  10.926  -8.412
  151    HB3  ASP  20           HB3      ASP  20   1.992  11.521  -8.578
  152    H    ASP  21           H        ASP  21   2.583   7.416  -9.252
  153    HA   ASP  21           HA       ASP  21   0.006   6.161  -9.529
  154    HB2  ASP  21           HB2      ASP  21   2.813   5.404 -10.276
  155    HB3  ASP  21           HB3      ASP  21   1.548   4.183 -10.286
  156    H    GLU  22           H        GLU  22   2.359   6.347  -7.141
  157    HA   GLU  22           HA       GLU  22   1.665   3.780  -5.942
  158    HB2  GLU  22           HB2      GLU  22   3.700   5.884  -5.239
  159    HB3  GLU  22           HB3      GLU  22   3.378   4.497  -4.216
  160    HG2  GLU  22           HG2      GLU  22   4.287   3.005  -5.722
  161    HG3  GLU  22           HG3      GLU  22   4.101   4.104  -7.085
  162    H    LEU  23           H        LEU  23   1.145   3.758  -3.635
  163    HA   LEU  23           HA       LEU  23  -0.887   5.806  -3.125
  164    HB2  LEU  23           HB2      LEU  23  -1.265   3.193  -3.236
  165    HB3  LEU  23           HB3      LEU  23  -0.686   3.247  -1.582
  166    HG   LEU  23           HG       LEU  23  -3.192   3.276  -1.847
  167   HD11  LEU  23          HD11      LEU  23  -1.943   5.642  -0.463
  168   HD12  LEU  23          HD12      LEU  23  -2.162   4.029   0.217
  169   HD13  LEU  23          HD13      LEU  23  -3.568   5.019  -0.173
  170   HD21  LEU  23          HD21      LEU  23  -3.415   4.630  -3.787
  171   HD22  LEU  23          HD22      LEU  23  -2.572   5.970  -3.014
  172   HD23  LEU  23          HD23      LEU  23  -4.166   5.490  -2.443
  173    H    GLU  24           H        GLU  24  -0.884   7.035  -1.325
  174    HA   GLU  24           HA       GLU  24   1.599   7.220   0.105
  175    HB2  GLU  24           HB2      GLU  24  -0.709   8.907  -0.341
  176    HB3  GLU  24           HB3      GLU  24  -0.220   8.917   1.351
  177    HG2  GLU  24           HG2      GLU  24   2.033   9.506   0.724
  178    HG3  GLU  24           HG3      GLU  24   1.594   9.437  -0.984
  179    H    LEU  25           H        LEU  25   2.063   5.967   1.730
  180    HA   LEU  25           HA       LEU  25  -0.153   4.766   3.223
  181    HB2  LEU  25           HB2      LEU  25   2.728   3.913   3.160
  182    HB3  LEU  25           HB3      LEU  25   1.396   3.040   3.877
  183    HG   LEU  25           HG       LEU  25   1.648   3.600   0.923
  184   HD11  LEU  25          HD11      LEU  25   2.268   1.091   2.471
  185   HD12  LEU  25          HD12      LEU  25   3.441   2.146   1.684
  186   HD13  LEU  25          HD13      LEU  25   2.270   1.249   0.714
  187   HD21  LEU  25          HD21      LEU  25  -0.193   1.787   2.480
  188   HD22  LEU  25          HD22      LEU  25  -0.107   1.902   0.723
  189   HD23  LEU  25          HD23      LEU  25  -0.647   3.285   1.672
  190    H    ARG  26           H        ARG  26  -0.395   5.054   5.322
  191    HA   ARG  26           HA       ARG  26   1.782   6.202   6.902
  192    HB2  ARG  26           HB2      ARG  26   0.018   7.479   8.194
  193    HB3  ARG  26           HB3      ARG  26   0.360   8.086   6.583
  194    HG2  ARG  26           HG2      ARG  26  -1.641   7.293   5.721
  195    HG3  ARG  26           HG3      ARG  26  -1.879   6.165   7.054
  196    HD2  ARG  26           HD2      ARG  26  -2.097   8.222   8.535
  197    HD3  ARG  26           HD3      ARG  26  -2.218   9.151   7.037
  198    HE   ARG  26           HE       ARG  26  -4.101   7.467   6.524
  199   HH11  ARG  26          HH11      ARG  26  -3.408   8.872   9.669
  200   HH12  ARG  26          HH12      ARG  26  -5.002   8.549  10.289
  201   HH21  ARG  26          HH22      ARG  26  -6.166   7.045   7.333
  202   HH22  ARG  26          HH21      ARG  26  -6.597   7.558   8.944
  203    H    ASP  27           H        ASP  27   1.921   5.376   8.920
  204    HA   ASP  27           HA       ASP  27   1.027   2.789   9.366
  205    HB2  ASP  27           HB2      ASP  27   2.912   3.590  10.598
  206    HB3  ASP  27           HB3      ASP  27   1.962   4.881  11.330
  207    H    GLY  28           H        GLY  28  -0.932   2.041   9.680
  208    HA2  GLY  28           HA2      GLY  28  -2.804   1.759  11.098
  209    HA3  GLY  28           HA3      GLY  28  -2.717   3.460  11.528
  210    H    ASP  29           H        ASP  29  -2.342   3.545   8.292
  211    HA   ASP  29           HA       ASP  29  -5.172   4.068   7.845
  212    HB2  ASP  29           HB2      ASP  29  -3.234   5.482   6.900
  213    HB3  ASP  29           HB3      ASP  29  -3.015   4.178   5.736
  214    H    ILE  30           H        ILE  30  -6.440   2.995   6.242
  215    HA   ILE  30           HA       ILE  30  -5.541   0.237   5.817
  216    HB   ILE  30           HB       ILE  30  -8.305   1.423   5.979
  217   HG12  ILE  30          HG12      ILE  30  -8.413  -0.539   7.696
  218   HG13  ILE  30          HG13      ILE  30  -6.662  -0.446   7.628
  219   HG21  ILE  30          HG21      ILE  30  -7.574  -1.395   5.212
  220   HG22  ILE  30          HG22      ILE  30  -8.333  -0.197   4.166
  221   HG23  ILE  30          HG23      ILE  30  -9.199  -0.817   5.569
  222   HD11  ILE  30          HD11      ILE  30  -7.422   0.829   9.491
  223   HD12  ILE  30          HD12      ILE  30  -8.567   1.715   8.484
  224   HD13  ILE  30          HD13      ILE  30  -6.837   1.941   8.259
  225    H    VAL  31           H        VAL  31  -5.462  -0.668   3.861
  226    HA   VAL  31           HA       VAL  31  -6.328   0.926   1.547
  227    HB   VAL  31           HB       VAL  31  -3.655  -0.410   1.918
  228   HG11  VAL  31          HG11      VAL  31  -3.211   0.023  -0.463
  229   HG12  VAL  31          HG12      VAL  31  -4.887   0.534  -0.673
  230   HG13  VAL  31          HG13      VAL  31  -4.522  -1.138  -0.246
  231   HG21  VAL  31          HG21      VAL  31  -2.789   1.760   1.255
  232   HG22  VAL  31          HG22      VAL  31  -3.893   1.937   2.621
  233   HG23  VAL  31          HG23      VAL  31  -4.431   2.348   0.991
  234    H    ASP  32           H        ASP  32  -7.660  -0.156   0.284
  235    HA   ASP  32           HA       ASP  32  -7.990  -3.031   0.593
  236    HB2  ASP  32           HB2      ASP  32  -9.422  -1.246  -1.379
  237    HB3  ASP  32           HB3      ASP  32  -9.951  -2.803  -0.755
  238    H    VAL  33           H        VAL  33  -6.786  -4.391  -0.589
  239    HA   VAL  33           HA       VAL  33  -5.476  -3.412  -2.996
  240    HB   VAL  33           HB       VAL  33  -4.019  -4.632  -1.579
  241   HG11  VAL  33          HG11      VAL  33  -6.217  -6.637  -1.428
  242   HG12  VAL  33          HG12      VAL  33  -5.258  -5.904  -0.133
  243   HG13  VAL  33          HG13      VAL  33  -4.544  -7.134  -1.176
  244   HG21  VAL  33          HG21      VAL  33  -4.814  -6.460  -3.831
  245   HG22  VAL  33          HG22      VAL  33  -3.253  -6.426  -3.009
  246   HG23  VAL  33          HG23      VAL  33  -3.772  -5.043  -3.977
  247    H    MET  34           H        MET  34  -6.154  -3.802  -4.984
  248    HA   MET  34           HA       MET  34  -8.403  -5.664  -5.301
  249    HB2  MET  34           HB2      MET  34  -9.294  -4.319  -6.970
  250    HB3  MET  34           HB3      MET  34  -8.664  -3.165  -5.815
  251    HG2  MET  34           HG2      MET  34  -7.979  -2.244  -7.794
  252    HG3  MET  34           HG3      MET  34  -6.555  -3.191  -7.356
  253    HE1  MET  34           HE1      MET  34  -7.071  -2.118 -10.301
  254    HE2  MET  34           HE2      MET  34  -6.687  -3.534 -11.277
  255    HE3  MET  34           HE3      MET  34  -5.675  -3.118  -9.895
  256    H    GLU  35           H        GLU  35  -5.218  -4.804  -6.479
  257    HA   GLU  35           HA       GLU  35  -5.287  -7.234  -8.139
  258    HB2  GLU  35           HB2      GLU  35  -5.228  -5.168  -9.514
  259    HB3  GLU  35           HB3      GLU  35  -3.703  -4.739  -8.755
  260    HG2  GLU  35           HG2      GLU  35  -2.782  -6.899  -9.600
  261    HG3  GLU  35           HG3      GLU  35  -4.278  -7.107 -10.508
  262    H    LYS  36           H        LYS  36  -3.591  -8.563  -8.032
  263    HA   LYS  36           HA       LYS  36  -1.562  -7.934  -5.996
  264    HB2  LYS  36           HB2      LYS  36  -2.790 -10.584  -6.750
  265    HB3  LYS  36           HB3      LYS  36  -1.383 -10.421  -5.707
  266    HG2  LYS  36           HG2      LYS  36  -2.679  -9.209  -4.076
  267    HG3  LYS  36           HG3      LYS  36  -4.087  -9.220  -5.143
  268    HD2  LYS  36           HD2      LYS  36  -2.740 -11.702  -4.098
  269    HD3  LYS  36           HD3      LYS  36  -4.144 -10.948  -3.334
  270    HE2  LYS  36           HE2      LYS  36  -5.486 -11.323  -5.276
  271    HE3  LYS  36           HE3      LYS  36  -4.086 -11.858  -6.203
  272    HZ1  LYS  36           HZ1      LYS  36  -3.910 -13.794  -4.833
  273    HZ2  LYS  36           HZ2      LYS  36  -5.494 -13.691  -5.433
  274    HZ3  LYS  36           HZ3      LYS  36  -5.163 -13.265  -3.824
  275    H    CYS  37           H        CYS  37   0.516  -8.031  -6.591
  276    HA   CYS  37           HA       CYS  37   1.140  -9.123  -9.248
  277    HB2  CYS  37           HB2      CYS  37   2.777  -7.209  -7.567
  278    HB3  CYS  37           HB3      CYS  37   3.119  -7.712  -9.221
  279    HG   CYS  37           HG       CYS  37   1.805  -5.844 -10.377
  280    H    ASP  38           H        ASP  38   2.696 -10.652  -9.467
  281    HA   ASP  38           HA       ASP  38   3.349 -12.225  -7.178
  282    HB2  ASP  38           HB2      ASP  38   4.562 -13.654  -8.734
  283    HB3  ASP  38           HB3      ASP  38   3.000 -13.217  -9.417
  284    H    ASP  39           H        ASP  39   4.621  -9.406  -8.379
  285    HA   ASP  39           HA       ASP  39   7.383  -9.885  -7.699
  286    HB2  ASP  39           HB2      ASP  39   6.691  -8.298  -9.499
  287    HB3  ASP  39           HB3      ASP  39   5.969  -7.269  -8.269
  288    H    GLY  40           H        GLY  40   4.524  -9.075  -5.971
  289    HA2  GLY  40           HA2      GLY  40   4.777  -9.545  -3.576
  290    HA3  GLY  40           HA3      GLY  40   6.278  -8.634  -3.626
  291    H    TRP  41           H        TRP  41   5.203  -6.493  -5.256
  292    HA   TRP  41           HA       TRP  41   3.809  -5.060  -3.148
  293    HB2  TRP  41           HB2      TRP  41   4.452  -3.896  -5.842
  294    HB3  TRP  41           HB3      TRP  41   4.352  -3.086  -4.283
  295    HD1  TRP  41           HD1      TRP  41   6.829  -3.672  -6.655
  296    HE1  TRP  41           HE1      TRP  41   9.175  -4.038  -5.681
  297    HE3  TRP  41           HE3      TRP  41   5.566  -4.722  -1.783
  298    HZ2  TRP  41           HZ2      TRP  41  10.344  -4.675  -3.202
  299    HZ3  TRP  41           HZ3      TRP  41   7.370  -5.200  -0.196
  300    HH2  TRP  41           HH2      TRP  41   9.708  -5.179  -0.886
  301    H    PHE  42           H        PHE  42   1.752  -4.000  -3.525
  302    HA   PHE  42           HA       PHE  42   0.142  -5.569  -5.416
  303    HB2  PHE  42           HB2      PHE  42  -0.579  -4.734  -2.601
  304    HB3  PHE  42           HB3      PHE  42  -1.627  -5.594  -3.713
  305    HD1  PHE  42           HD1      PHE  42   0.387  -7.535  -4.850
  306    HD2  PHE  42           HD2      PHE  42  -0.386  -6.264  -0.858
  307    HE1  PHE  42           HE1      PHE  42   1.239  -9.677  -4.007
  308    HE2  PHE  42           HE2      PHE  42   0.477  -8.405  -0.011
  309    HZ   PHE  42           HZ       PHE  42   1.292 -10.113  -1.585
  310    H    VAL  43           H        VAL  43  -2.027  -4.578  -5.833
  311    HA   VAL  43           HA       VAL  43  -1.763  -1.654  -6.058
  312    HB   VAL  43           HB       VAL  43  -2.897  -3.717  -7.891
  313   HG11  VAL  43          HG11      VAL  43  -3.907  -0.870  -7.837
  314   HG12  VAL  43          HG12      VAL  43  -4.854  -2.282  -7.368
  315   HG13  VAL  43          HG13      VAL  43  -4.304  -2.102  -9.034
  316   HG21  VAL  43          HG21      VAL  43  -1.892  -2.243  -9.548
  317   HG22  VAL  43          HG22      VAL  43  -0.733  -2.653  -8.277
  318   HG23  VAL  43          HG23      VAL  43  -1.537  -1.081  -8.268
  319    H    GLY  44           H        GLY  44  -3.230  -0.397  -5.081
  320    HA2  GLY  44           HA2      GLY  44  -5.717  -1.545  -4.087
  321    HA3  GLY  44           HA3      GLY  44  -4.518  -1.156  -2.865
  322    H    THR  45           H        THR  45  -6.558   0.103  -2.290
  323    HA   THR  45           HA       THR  45  -6.232   2.835  -3.314
  324    HB   THR  45           HB       THR  45  -8.834   1.421  -2.735
  325    HG1  THR  45           HG1      THR  45  -7.400   2.015  -5.036
  326   HG21  THR  45          HG21      THR  45  -9.902   3.514  -3.538
  327   HG22  THR  45          HG22      THR  45  -8.319   4.283  -3.516
  328   HG23  THR  45          HG23      THR  45  -9.036   3.705  -2.014
  329    H    SER  46           H        SER  46  -6.328   4.405  -1.764
  330    HA   SER  46           HA       SER  46  -5.924   3.612   0.957
  331    HB2  SER  46           HB2      SER  46  -4.776   5.586   0.040
  332    HB3  SER  46           HB3      SER  46  -6.328   6.367  -0.255
  333    HG   SER  46           HG       SER  46  -5.197   5.679   2.272
  334    H    ARG  47           H        ARG  47  -7.403   3.420   2.522
  335    HA   ARG  47           HA       ARG  47 -10.185   3.648   1.964
  336    HB2  ARG  47           HB2      ARG  47  -9.198   2.039   3.565
  337    HB3  ARG  47           HB3      ARG  47  -8.768   3.379   4.616
  338    HG2  ARG  47           HG2      ARG  47 -11.255   3.926   4.643
  339    HG3  ARG  47           HG3      ARG  47 -11.487   2.314   3.959
  340    HD2  ARG  47           HD2      ARG  47 -10.233   1.360   5.858
  341    HD3  ARG  47           HD3      ARG  47 -10.079   2.976   6.529
  342    HE   ARG  47           HE       ARG  47 -12.799   2.179   6.017
  343   HH11  ARG  47          HH11      ARG  47 -10.174   2.169   8.320
  344   HH12  ARG  47          HH12      ARG  47 -11.206   1.994   9.705
  345   HH21  ARG  47          HH22      ARG  47 -14.176   1.955   7.804
  346   HH22  ARG  47          HH21      ARG  47 -13.500   1.804   9.402
  347    H    ARG  48           H        ARG  48  -7.801   5.812   3.231
  348    HA   ARG  48           HA       ARG  48  -9.675   7.495   4.632
  349    HB2  ARG  48           HB2      ARG  48  -7.306   7.180   5.344
  350    HB3  ARG  48           HB3      ARG  48  -6.793   8.049   3.907
  351    HG2  ARG  48           HG2      ARG  48  -8.170   9.984   4.720
  352    HG3  ARG  48           HG3      ARG  48  -8.343   9.107   6.242
  353    HD2  ARG  48           HD2      ARG  48  -5.921   9.030   6.479
  354    HD3  ARG  48           HD3      ARG  48  -5.746   9.890   4.952
  355    HE   ARG  48           HE       ARG  48  -7.362  11.454   6.577
  356   HH11  ARG  48          HH11      ARG  48  -4.072  10.270   6.518
  357   HH12  ARG  48          HH12      ARG  48  -3.438  11.574   7.475
  358   HH21  ARG  48          HH22      ARG  48  -6.545  13.176   7.841
  359   HH22  ARG  48          HH21      ARG  48  -4.848  13.244   8.209
  360    H    THR  49           H        THR  49  -7.704   7.804   1.698
  361    HA   THR  49           HA       THR  49  -9.216  10.244   1.061
  362    HB   THR  49           HB       THR  49  -7.007  10.915   1.367
  363    HG1  THR  49           HG1      THR  49  -6.782  10.440  -1.394
  364   HG21  THR  49          HG21      THR  49  -5.060   9.766   0.337
  365   HG22  THR  49          HG22      THR  49  -6.151   8.478  -0.173
  366   HG23  THR  49          HG23      THR  49  -5.912   8.800   1.543
  367    H    LYS  50           H        LYS  50  -8.767   7.070   0.140
  368    HA   LYS  50           HA       LYS  50  -9.595   5.797  -1.515
  369    HB2  LYS  50           HB2      LYS  50 -11.225   8.217  -2.299
  370    HB3  LYS  50           HB3      LYS  50 -11.534   6.557  -2.767
  371    HG2  LYS  50           HG2      LYS  50 -11.913   7.859  -0.097
  372    HG3  LYS  50           HG3      LYS  50 -13.076   6.974  -1.080
  373    HD2  LYS  50           HD2      LYS  50 -10.760   5.833   0.481
  374    HD3  LYS  50           HD3      LYS  50 -12.476   5.628   0.824
  375    HE2  LYS  50           HE2      LYS  50 -11.091   4.639  -1.661
  376    HE3  LYS  50           HE3      LYS  50 -11.392   3.653  -0.237
  377    HZ1  LYS  50           HZ1      LYS  50 -13.680   3.704  -0.593
  378    HZ2  LYS  50           HZ2      LYS  50 -13.028   3.485  -2.138
  379    HZ3  LYS  50           HZ3      LYS  50 -13.596   5.012  -1.672
  380    H    GLN  51           H        GLN  51  -7.144   7.036  -2.049
  381    HA   GLN  51           HA       GLN  51  -7.256   7.644  -4.897
  382    HB2  GLN  51           HB2      GLN  51  -4.617   7.555  -4.436
  383    HB3  GLN  51           HB3      GLN  51  -5.583   8.996  -4.158
  384    HG2  GLN  51           HG2      GLN  51  -5.647   8.610  -1.834
  385    HG3  GLN  51           HG3      GLN  51  -5.009   6.979  -2.015
  386   HE21  GLN  51          HE22      GLN  51  -3.755   9.703  -3.808
  387   HE22  GLN  51          HE21      GLN  51  -2.238   9.784  -2.988
  388    H    PHE  52           H        PHE  52  -6.277   6.350  -6.461
  389    HA   PHE  52           HA       PHE  52  -5.975   3.542  -5.622
  390    HB2  PHE  52           HB2      PHE  52  -7.947   3.734  -6.929
  391    HB3  PHE  52           HB3      PHE  52  -7.158   4.768  -8.109
  392    HD1  PHE  52           HD2      PHE  52  -6.813   1.327  -6.689
  393    HD2  PHE  52           HD1      PHE  52  -6.579   3.848 -10.107
  394    HE1  PHE  52           HE2      PHE  52  -6.345  -0.632  -8.096
  395    HE2  PHE  52           HE1      PHE  52  -6.108   1.894 -11.524
  396    HZ   PHE  52           HZ       PHE  52  -5.990  -0.350 -10.518
  397    H    GLY  53           H        GLY  53  -4.166   2.483  -6.117
  398    HA2  GLY  53           HA2      GLY  53  -2.612   2.855  -8.412
  399    HA3  GLY  53           HA3      GLY  53  -1.886   3.806  -7.123
  400    H    THR  54           H        THR  54  -0.057   2.548  -7.163
  401    HA   THR  54           HA       THR  54  -0.370  -0.223  -6.234
  402    HB   THR  54           HB       THR  54   0.875  -0.138  -8.258
  403    HG1  THR  54           HG1      THR  54   2.805  -0.344  -6.175
  404   HG21  THR  54          HG21      THR  54   3.153   1.218  -8.108
  405   HG22  THR  54          HG22      THR  54   2.207   2.202  -6.989
  406   HG23  THR  54          HG23      THR  54   1.656   1.977  -8.651
  407    H    PHE  55           H        PHE  55   0.627  -0.912  -4.394
  408    HA   PHE  55           HA       PHE  55   2.285   0.984  -2.917
  409    HB2  PHE  55           HB2      PHE  55   1.051   0.719  -0.860
  410    HB3  PHE  55           HB3      PHE  55  -0.065   1.258  -2.106
  411    HD1  PHE  55           HD1      PHE  55  -1.471  -0.535  -3.264
  412    HD2  PHE  55           HD2      PHE  55   0.583  -1.172   0.402
  413    HE1  PHE  55           HE1      PHE  55  -2.949  -2.438  -2.769
  414    HE2  PHE  55           HE2      PHE  55  -0.887  -3.079   0.902
  415    HZ   PHE  55           HZ       PHE  55  -2.659  -3.715  -0.685
  416    HA   PRO  56           HA       PRO  56   4.643  -2.685  -2.149
  417    HB2  PRO  56           HB3      PRO  56   5.570  -1.273   0.270
  418    HB3  PRO  56           HB2      PRO  56   6.500  -1.885  -1.103
  419    HG2  PRO  56           HG2      PRO  56   6.102   0.740  -0.745
  420    HG3  PRO  56           HG3      PRO  56   6.148   0.019  -2.364
  421    HD2  PRO  56           HD2      PRO  56   3.784   0.863  -0.727
  422    HD3  PRO  56           HD3      PRO  56   4.070   1.051  -2.470
  423    H    GLY  57           H        GLY  57   3.396  -4.329  -1.483
  424    HA2  GLY  57           HA2      GLY  57   1.510  -4.185   0.616
  425    HA3  GLY  57           HA3      GLY  57   2.023  -5.644  -0.212
  426    H    ASN  58           H        ASN  58   4.779  -4.324   0.939
  427    HA   ASN  58           HA       ASN  58   4.946  -6.188   3.087
  428    HB2  ASN  58           HB2      ASN  58   7.214  -5.823   2.965
  429    HB3  ASN  58           HB3      ASN  58   6.714  -5.475   1.324
  430   HD21  ASN  58          HD22      ASN  58   6.862  -3.393   0.552
  431   HD22  ASN  58          HD21      ASN  58   7.691  -2.138   1.398
  432    H    TYR  59           H        TYR  59   4.073  -2.888   2.759
  433    HA   TYR  59           HA       TYR  59   4.742  -2.276   5.549
  434    HB2  TYR  59           HB2      TYR  59   3.598  -0.487   3.394
  435    HB3  TYR  59           HB3      TYR  59   4.042   0.028   5.014
  436    HD1  TYR  59           HD2      TYR  59   6.612  -0.737   5.595
  437    HD2  TYR  59           HD1      TYR  59   5.019   0.113   1.750
  438    HE1  TYR  59           HE2      TYR  59   8.872  -0.198   4.783
  439    HE2  TYR  59           HE1      TYR  59   7.261   0.656   0.927
  440    HH   TYR  59           HH       TYR  59  10.058  -0.173   2.548
  441    H    VAL  60           H        VAL  60   2.454  -4.059   4.563
  442    HA   VAL  60           HA       VAL  60   0.398  -2.758   6.165
  443    HB   VAL  60           HB       VAL  60  -1.377  -3.418   4.519
  444   HG11  VAL  60          HG11      VAL  60   0.634  -1.412   3.497
  445   HG12  VAL  60          HG12      VAL  60  -0.599  -1.096   4.719
  446   HG13  VAL  60          HG13      VAL  60  -1.074  -1.492   3.066
  447   HG21  VAL  60          HG21      VAL  60   1.016  -3.896   2.759
  448   HG22  VAL  60          HG22      VAL  60  -0.631  -3.691   2.156
  449   HG23  VAL  60          HG23      VAL  60  -0.244  -5.042   3.220
  450    H    LYS  61           H        LYS  61  -1.269  -4.228   6.862
  451    HA   LYS  61           HA       LYS  61  -0.254  -6.983   7.028
  452    HB2  LYS  61           HB2      LYS  61  -1.118  -7.039   9.364
  453    HB3  LYS  61           HB3      LYS  61   0.231  -5.948   9.115
  454    HG2  LYS  61           HG2      LYS  61  -1.386  -4.056   9.029
  455    HG3  LYS  61           HG3      LYS  61  -2.669  -5.200   9.435
  456    HD2  LYS  61           HD2      LYS  61  -2.149  -5.077  11.596
  457    HD3  LYS  61           HD3      LYS  61  -0.484  -5.543  11.243
  458    HE2  LYS  61           HE2      LYS  61  -0.450  -3.440  12.380
  459    HE3  LYS  61           HE3      LYS  61   0.010  -3.176  10.699
  460    HZ1  LYS  61           HZ1      LYS  61  -2.164  -2.326  10.234
  461    HZ2  LYS  61           HZ2      LYS  61  -1.545  -1.493  11.574
  462    HZ3  LYS  61           HZ3      LYS  61  -2.718  -2.704  11.790
  463    HA   PRO  62           HA       PRO  62  -4.113  -8.248   5.335
  464    HB2  PRO  62           HB3      PRO  62  -3.589 -10.708   6.897
  465    HB3  PRO  62           HB2      PRO  62  -3.899 -10.519   5.172
  466    HG2  PRO  62           HG2      PRO  62  -1.444 -11.046   6.058
  467    HG3  PRO  62           HG3      PRO  62  -1.706  -9.930   4.707
  468    HD2  PRO  62           HD2      PRO  62  -1.059  -9.329   7.561
  469    HD3  PRO  62           HD3      PRO  62  -0.493  -8.533   6.078
  470    H    LEU  63           H        LEU  63  -6.070  -7.754   6.013
  471    HA   LEU  63           HA       LEU  63  -6.717  -8.004   8.858
  472    HB2  LEU  63           HB2      LEU  63  -8.152  -6.573   6.615
  473    HB3  LEU  63           HB3      LEU  63  -8.667  -6.584   8.290
  474    HG   LEU  63           HG       LEU  63  -6.082  -5.404   7.278
  475   HD11  LEU  63          HD11      LEU  63  -8.553  -4.013   8.291
  476   HD12  LEU  63          HD12      LEU  63  -8.154  -4.228   6.588
  477   HD13  LEU  63          HD13      LEU  63  -7.095  -3.268   7.625
  478   HD21  LEU  63          HD21      LEU  63  -5.926  -4.453   9.544
  479   HD22  LEU  63          HD22      LEU  63  -5.869  -6.215   9.556
  480   HD23  LEU  63          HD23      LEU  63  -7.349  -5.377  10.016
  481    H    TYR  64           H        TYR  64  -9.483  -8.172   8.656
  482    HA   TYR  64           HA       TYR  64  -9.750 -10.975   8.107
  483    HB2  TYR  64           HB2      TYR  64 -12.140 -10.615   8.852
  484    HB3  TYR  64           HB3      TYR  64 -10.898 -10.247  10.025
  485    HD1  TYR  64           HD1      TYR  64 -10.246  -7.770  10.326
  486    HD2  TYR  64           HD2      TYR  64 -13.800  -9.051   8.370
  487    HE1  TYR  64           HE1      TYR  64 -11.262  -5.571  10.745
  488    HE2  TYR  64           HE2      TYR  64 -14.820  -6.854   8.774
  489    HH   TYR  64           HH       TYR  64 -14.564  -4.995  10.412
  490    H    LEU  65           H        LEU  65 -11.497  -8.144   6.937
  491    HA   LEU  65           HA       LEU  65 -11.973  -9.568   4.415
  492    HB2  LEU  65           HB2      LEU  65 -13.413  -7.373   5.815
  493    HB3  LEU  65           HB3      LEU  65 -13.440  -7.386   4.064
  494    HG   LEU  65           HG       LEU  65 -14.395  -9.672   4.121
  495   HD11  LEU  65          HD11      LEU  65 -15.296 -10.542   6.211
  496   HD12  LEU  65          HD12      LEU  65 -14.561  -9.203   7.089
  497   HD13  LEU  65          HD13      LEU  65 -13.539 -10.392   6.282
  498   HD21  LEU  65          HD21      LEU  65 -15.944  -7.604   5.668
  499   HD22  LEU  65          HD22      LEU  65 -16.624  -9.001   4.832
  500   HD23  LEU  65          HD23      LEU  65 -15.834  -7.719   3.911
  Start of MODEL    9
    1    H1   GLN   1           H1       GLN   1 -18.594  -0.828  -1.903
    2    H2   GLN   1           H2       GLN   1 -19.845   0.299  -2.081
    3    H3   GLN   1           H3       GLN   1 -18.670   0.139  -3.295
    4    HA   GLN   1           HA       GLN   1 -20.641  -1.917  -2.498
    5    HB2  GLN   1           HB2      GLN   1 -20.473  -0.089  -4.894
    6    HB3  GLN   1           HB3      GLN   1 -21.486  -1.525  -4.854
    7    HG2  GLN   1           HG2      GLN   1 -21.690   0.810  -2.970
    8    HG3  GLN   1           HG3      GLN   1 -22.739   0.511  -4.353
    9   HE21  GLN   1          HE22      GLN   1 -22.799  -2.379  -3.923
   10   HE22  GLN   1          HE21      GLN   1 -23.815  -2.628  -2.540
   11    H    THR   2           H        THR   2 -18.548  -1.048  -5.268
   12    HA   THR   2           HA       THR   2 -18.361  -3.679  -6.228
   13    HB   THR   2           HB       THR   2 -16.315  -1.516  -6.718
   14    HG1  THR   2           HG1      THR   2 -19.004  -1.713  -7.466
   15   HG21  THR   2          HG21      THR   2 -15.778  -3.715  -7.641
   16   HG22  THR   2          HG22      THR   2 -16.163  -2.574  -8.930
   17   HG23  THR   2          HG23      THR   2 -17.352  -3.776  -8.432
   18    H    SER   3           H        SER   3 -15.846  -1.751  -4.567
   19    HA   SER   3           HA       SER   3 -14.367  -4.182  -4.001
   20    HB2  SER   3           HB2      SER   3 -12.731  -2.524  -2.964
   21    HB3  SER   3           HB3      SER   3 -13.008  -2.358  -4.700
   22    HG   SER   3           HG       SER   3 -13.304  -0.517  -2.843
   23    H    GLN   4           H        GLN   4 -15.253  -5.347  -2.398
   24    HA   GLN   4           HA       GLN   4 -15.697  -3.990   0.177
   25    HB2  GLN   4           HB2      GLN   4 -17.574  -5.798   0.442
   26    HB3  GLN   4           HB3      GLN   4 -17.910  -4.292  -0.408
   27    HG2  GLN   4           HG2      GLN   4 -17.492  -5.460  -2.542
   28    HG3  GLN   4           HG3      GLN   4 -17.269  -6.960  -1.644
   29   HE21  GLN   4          HE22      GLN   4 -19.223  -6.290  -3.672
   30   HE22  GLN   4          HE21      GLN   4 -20.783  -6.518  -2.950
   31    H    ASP   5           H        ASP   5 -16.424  -7.344  -0.395
   32    HA   ASP   5           HA       ASP   5 -14.380  -8.235   1.423
   33    HB2  ASP   5           HB2      ASP   5 -16.168  -9.867  -0.402
   34    HB3  ASP   5           HB3      ASP   5 -15.220 -10.486   0.943
   35    H    LEU   6           H        LEU   6 -13.045  -6.890  -0.449
   36    HA   LEU   6           HA       LEU   6 -12.188  -8.707  -2.550
   37    HB2  LEU   6           HB2      LEU   6 -12.642  -6.302  -2.988
   38    HB3  LEU   6           HB3      LEU   6 -11.292  -5.888  -1.957
   39    HG   LEU   6           HG       LEU   6  -9.749  -6.979  -3.505
   40   HD11  LEU   6          HD11      LEU   6 -12.211  -7.524  -5.154
   41   HD12  LEU   6          HD12      LEU   6 -11.213  -8.730  -4.342
   42   HD13  LEU   6          HD13      LEU   6 -10.547  -7.786  -5.674
   43   HD21  LEU   6          HD21      LEU   6 -11.635  -5.060  -4.863
   44   HD22  LEU   6          HD22      LEU   6  -9.979  -5.409  -5.356
   45   HD23  LEU   6          HD23      LEU   6 -10.291  -4.618  -3.811
   46    H    PHE   7           H        PHE   7 -10.224  -6.518  -0.541
   47    HA   PHE   7           HA       PHE   7  -9.196  -8.392   1.225
   48    HB2  PHE   7           HB2      PHE   7  -8.113  -8.892  -1.277
   49    HB3  PHE   7           HB3      PHE   7  -6.895  -7.875  -0.520
   50    HD1  PHE   7           HD2      PHE   7  -6.224  -8.570   1.922
   51    HD2  PHE   7           HD1      PHE   7  -8.060 -11.160  -0.911
   52    HE1  PHE   7           HE2      PHE   7  -5.382 -10.522   3.165
   53    HE2  PHE   7           HE1      PHE   7  -7.224 -13.115   0.324
   54    HZ   PHE   7           HZ       PHE   7  -5.882 -12.798   2.366
   55    H    SER   8           H        SER   8  -8.888  -6.945   2.816
   56    HA   SER   8           HA       SER   8  -7.692  -4.364   2.069
   57    HB2  SER   8           HB2      SER   8  -9.535  -4.931   4.404
   58    HB3  SER   8           HB3      SER   8  -8.965  -3.352   3.871
   59    HG   SER   8           HG       SER   8 -10.065  -4.429   1.749
   60    H    TYR   9           H        TYR   9  -5.886  -3.721   3.043
   61    HA   TYR   9           HA       TYR   9  -4.961  -5.237   5.401
   62    HB2  TYR   9           HB2      TYR   9  -3.288  -3.827   3.308
   63    HB3  TYR   9           HB3      TYR   9  -2.660  -4.621   4.738
   64    HD1  TYR   9           HD2      TYR   9  -4.091  -7.169   4.762
   65    HD2  TYR   9           HD1      TYR   9  -2.487  -4.962   1.510
   66    HE1  TYR   9           HE2      TYR   9  -3.830  -9.255   3.489
   67    HE2  TYR   9           HE1      TYR   9  -2.234  -7.037   0.211
   68    HH   TYR   9           HH       TYR   9  -2.043  -9.397   0.548
   69    H    GLN  10           H        GLN  10  -3.800  -4.032   6.994
   70    HA   GLN  10           HA       GLN  10  -4.288  -1.126   6.891
   71    HB2  GLN  10           HB2      GLN  10  -5.303  -2.484   8.809
   72    HB3  GLN  10           HB3      GLN  10  -3.652  -2.704   9.383
   73    HG2  GLN  10           HG2      GLN  10  -3.397  -0.257   9.491
   74    HG3  GLN  10           HG3      GLN  10  -5.071  -0.081   8.991
   75   HE21  GLN  10          HE22      GLN  10  -6.709  -0.556  10.426
   76   HE22  GLN  10          HE21      GLN  10  -6.434  -0.752  12.121
   77    H    ALA  11           H        ALA  11  -2.565   0.235   7.150
   78    HA   ALA  11           HA       ALA  11  -0.058  -0.814   6.323
   79    HB1  ALA  11           HB1      ALA  11   0.684   1.545   6.488
   80    HB2  ALA  11           HB2      ALA  11  -0.886   1.938   7.203
   81    HB3  ALA  11           HB3      ALA  11  -0.794   1.330   5.548
   82    H    LEU  12           H        LEU  12   1.605  -1.435   7.419
   83    HA   LEU  12           HA       LEU  12   1.645  -1.490  10.289
   84    HB2  LEU  12           HB2      LEU  12   3.543  -2.372   8.127
   85    HB3  LEU  12           HB3      LEU  12   3.980  -2.455   9.822
   86    HG   LEU  12           HG       LEU  12   1.424  -3.728   9.056
   87   HD11  LEU  12          HD11      LEU  12   4.124  -4.804   8.280
   88   HD12  LEU  12          HD12      LEU  12   2.754  -4.450   7.222
   89   HD13  LEU  12          HD13      LEU  12   2.656  -5.780   8.376
   90   HD21  LEU  12          HD21      LEU  12   3.730  -4.489  10.848
   91   HD22  LEU  12          HD22      LEU  12   2.210  -5.373  10.705
   92   HD23  LEU  12          HD23      LEU  12   2.220  -3.736  11.359
   93    H    TYR  13           H        TYR  13   3.098   0.392   7.750
   94    HA   TYR  13           HA       TYR  13   4.319   2.174   9.721
   95    HB2  TYR  13           HB2      TYR  13   5.841   1.079   7.344
   96    HB3  TYR  13           HB3      TYR  13   6.441   2.246   8.511
   97    HD1  TYR  13           HD2      TYR  13   6.822   1.504  10.892
   98    HD2  TYR  13           HD1      TYR  13   6.008  -1.246   7.747
   99    HE1  TYR  13           HE2      TYR  13   7.721  -0.327  12.265
  100    HE2  TYR  13           HE1      TYR  13   6.902  -3.083   9.118
  101    HH   TYR  13           HH       TYR  13   8.540  -3.322  11.035
  102    H    SER  14           H        SER  14   5.037   4.212   8.714
  103    HA   SER  14           HA       SER  14   3.261   5.008   6.550
  104    HB2  SER  14           HB2      SER  14   4.265   7.309   7.072
  105    HB3  SER  14           HB3      SER  14   3.284   6.569   8.338
  106    HG   SER  14           HG       SER  14   5.280   7.444   9.120
  107    H    TYR  15           H        TYR  15   3.908   5.085   4.502
  108    HA   TYR  15           HA       TYR  15   6.801   5.097   3.950
  109    HB2  TYR  15           HB2      TYR  15   5.691   2.829   3.634
  110    HB3  TYR  15           HB3      TYR  15   4.753   3.563   2.343
  111    HD1  TYR  15           HD2      TYR  15   8.279   2.997   3.403
  112    HD2  TYR  15           HD1      TYR  15   5.586   3.625   0.172
  113    HE1  TYR  15           HE2      TYR  15  10.103   2.581   1.810
  114    HE2  TYR  15           HE1      TYR  15   7.405   3.211  -1.431
  115    HH   TYR  15           HH       TYR  15  10.365   1.850  -0.539
  116    H    ILE  16           H        ILE  16   7.464   6.497   2.491
  117    HA   ILE  16           HA       ILE  16   5.486   8.093   1.044
  118    HB   ILE  16           HB       ILE  16   8.451   8.469   1.481
  119   HG12  ILE  16          HG12      ILE  16   7.098   8.945   3.447
  120   HG13  ILE  16          HG13      ILE  16   7.728  10.445   2.774
  121   HG21  ILE  16          HG21      ILE  16   6.539  10.266  -0.009
  122   HG22  ILE  16          HG22      ILE  16   7.819   9.295  -0.735
  123   HG23  ILE  16          HG23      ILE  16   8.230  10.621   0.352
  124   HD11  ILE  16          HD11      ILE  16   5.580  10.925   1.771
  125   HD12  ILE  16          HD12      ILE  16   5.400  10.643   3.503
  126   HD13  ILE  16          HD13      ILE  16   4.944   9.385   2.350
  127    HA   PRO  17           HA       PRO  17   6.080   5.296  -2.371
  128    HB2  PRO  17           HB3      PRO  17   4.728   7.497  -3.837
  129    HB3  PRO  17           HB2      PRO  17   4.300   5.785  -3.739
  130    HG2  PRO  17           HG2      PRO  17   2.892   7.615  -2.416
  131    HG3  PRO  17           HG3      PRO  17   3.244   6.036  -1.688
  132    HD2  PRO  17           HD2      PRO  17   4.517   8.692  -1.170
  133    HD3  PRO  17           HD3      PRO  17   4.092   7.403  -0.024
  134    H    GLN  18           H        GLN  18   7.607   5.065  -3.833
  135    HA   GLN  18           HA       GLN  18   9.518   7.142  -4.292
  136    HB2  GLN  18           HB2      GLN  18   9.244   4.422  -5.579
  137    HB3  GLN  18           HB3      GLN  18  10.662   5.461  -5.666
  138    HG2  GLN  18           HG2      GLN  18  11.061   5.235  -3.325
  139    HG3  GLN  18           HG3      GLN  18   9.529   4.393  -3.096
  140   HE21  GLN  18          HE22      GLN  18   9.824   2.781  -5.495
  141   HE22  GLN  18          HE21      GLN  18  11.029   1.592  -5.133
  142    H    ASN  19           H        ASN  19   6.611   6.294  -5.668
  143    HA   ASN  19           HA       ASN  19   7.083   8.024  -7.982
  144    HB2  ASN  19           HB2      ASN  19   5.779   5.297  -8.073
  145    HB3  ASN  19           HB3      ASN  19   5.815   6.436  -9.417
  146   HD21  ASN  19          HD22      ASN  19   7.550   4.132  -7.547
  147   HD22  ASN  19          HD21      ASN  19   8.969   4.067  -8.545
  148    H    ASP  20           H        ASP  20   5.299   9.226  -8.545
  149    HA   ASP  20           HA       ASP  20   3.234   9.532  -6.606
  150    HB2  ASP  20           HB2      ASP  20   4.007  11.446  -7.890
  151    HB3  ASP  20           HB3      ASP  20   3.528  10.670  -9.395
  152    H    ASP  21           H        ASP  21   3.658   7.498  -9.266
  153    HA   ASP  21           HA       ASP  21   0.944   6.961  -9.940
  154    HB2  ASP  21           HB2      ASP  21   2.769   6.432 -11.474
  155    HB3  ASP  21           HB3      ASP  21   3.468   5.325 -10.302
  156    H    GLU  22           H        GLU  22   2.860   6.233  -7.264
  157    HA   GLU  22           HA       GLU  22   1.447   3.766  -6.623
  158    HB2  GLU  22           HB2      GLU  22   3.887   5.109  -5.479
  159    HB3  GLU  22           HB3      GLU  22   3.126   3.717  -4.711
  160    HG2  GLU  22           HG2      GLU  22   3.525   2.356  -6.632
  161    HG3  GLU  22           HG3      GLU  22   4.101   3.733  -7.557
  162    H    LEU  23           H        LEU  23   1.018   3.513  -4.191
  163    HA   LEU  23           HA       LEU  23  -0.828   5.676  -3.481
  164    HB2  LEU  23           HB2      LEU  23  -1.396   3.120  -3.754
  165    HB3  LEU  23           HB3      LEU  23  -0.739   2.996  -2.139
  166    HG   LEU  23           HG       LEU  23  -3.253   3.204  -2.287
  167   HD11  LEU  23          HD11      LEU  23  -2.193   3.625  -0.197
  168   HD12  LEU  23          HD12      LEU  23  -3.412   4.869  -0.467
  169   HD13  LEU  23          HD13      LEU  23  -1.709   5.242  -0.714
  170   HD21  LEU  23          HD21      LEU  23  -3.410   4.797  -4.075
  171   HD22  LEU  23          HD22      LEU  23  -2.531   5.996  -3.126
  172   HD23  LEU  23          HD23      LEU  23  -4.136   5.473  -2.614
  173    H    GLU  24           H        GLU  24  -0.707   6.770  -1.591
  174    HA   GLU  24           HA       GLU  24   1.799   6.732  -0.196
  175    HB2  GLU  24           HB2      GLU  24  -0.604   8.446  -0.239
  176    HB3  GLU  24           HB3      GLU  24   0.288   8.413   1.277
  177    HG2  GLU  24           HG2      GLU  24   2.302   9.088   0.143
  178    HG3  GLU  24           HG3      GLU  24   1.470   9.047  -1.412
  179    H    LEU  25           H        LEU  25   2.297   5.738   1.607
  180    HA   LEU  25           HA       LEU  25   0.149   4.352   3.055
  181    HB2  LEU  25           HB2      LEU  25   3.116   3.816   2.989
  182    HB3  LEU  25           HB3      LEU  25   1.954   2.917   3.943
  183    HG   LEU  25           HG       LEU  25   1.887   3.068   0.932
  184   HD11  LEU  25          HD11      LEU  25   2.967   0.902   2.723
  185   HD12  LEU  25          HD12      LEU  25   3.908   1.946   1.663
  186   HD13  LEU  25          HD13      LEU  25   2.768   0.791   0.975
  187   HD21  LEU  25          HD21      LEU  25   0.382   1.131   1.180
  188   HD22  LEU  25          HD22      LEU  25  -0.269   2.593   1.925
  189   HD23  LEU  25          HD23      LEU  25   0.451   1.337   2.930
  190    H    ARG  26           H        ARG  26  -0.310   4.897   5.077
  191    HA   ARG  26           HA       ARG  26   1.752   6.252   6.676
  192    HB2  ARG  26           HB2      ARG  26  -0.108   7.538   7.792
  193    HB3  ARG  26           HB3      ARG  26   0.235   8.019   6.139
  194    HG2  ARG  26           HG2      ARG  26  -1.701   7.024   5.318
  195    HG3  ARG  26           HG3      ARG  26  -1.897   6.019   6.753
  196    HD2  ARG  26           HD2      ARG  26  -2.282   8.185   8.026
  197    HD3  ARG  26           HD3      ARG  26  -2.425   8.962   6.446
  198    HE   ARG  26           HE       ARG  26  -4.187   7.142   6.050
  199   HH11  ARG  26          HH11      ARG  26  -3.645   8.794   9.085
  200   HH12  ARG  26          HH12      ARG  26  -5.221   8.401   9.717
  201   HH21  ARG  26          HH22      ARG  26  -6.217   6.613   6.855
  202   HH22  ARG  26          HH21      ARG  26  -6.706   7.189   8.432
  203    H    ASP  27           H        ASP  27   1.822   5.642   8.786
  204    HA   ASP  27           HA       ASP  27   1.134   3.042   9.443
  205    HB2  ASP  27           HB2      ASP  27   2.865   4.155  10.678
  206    HB3  ASP  27           HB3      ASP  27   1.751   5.406  11.218
  207    H    GLY  28           H        GLY  28  -0.832   2.204   9.578
  208    HA2  GLY  28           HA2      GLY  28  -2.730   1.845  10.952
  209    HA3  GLY  28           HA3      GLY  28  -2.759   3.557  11.331
  210    H    ASP  29           H        ASP  29  -2.307   3.549   8.092
  211    HA   ASP  29           HA       ASP  29  -5.127   4.007   7.591
  212    HB2  ASP  29           HB2      ASP  29  -3.288   5.390   6.530
  213    HB3  ASP  29           HB3      ASP  29  -2.910   3.983   5.539
  214    H    ILE  30           H        ILE  30  -6.398   2.856   6.100
  215    HA   ILE  30           HA       ILE  30  -5.506   0.091   5.718
  216    HB   ILE  30           HB       ILE  30  -8.241   1.305   5.935
  217   HG12  ILE  30          HG12      ILE  30  -8.389  -0.696   7.579
  218   HG13  ILE  30          HG13      ILE  30  -6.639  -0.690   7.474
  219   HG21  ILE  30          HG21      ILE  30  -7.608  -1.485   5.015
  220   HG22  ILE  30          HG22      ILE  30  -8.320  -0.196   4.049
  221   HG23  ILE  30          HG23      ILE  30  -9.215  -0.869   5.406
  222   HD11  ILE  30          HD11      ILE  30  -7.263   0.565   9.390
  223   HD12  ILE  30          HD12      ILE  30  -8.426   1.511   8.459
  224   HD13  ILE  30          HD13      ILE  30  -6.702   1.700   8.162
  225    H    VAL  31           H        VAL  31  -5.355  -0.767   3.762
  226    HA   VAL  31           HA       VAL  31  -6.403   0.752   1.477
  227    HB   VAL  31           HB       VAL  31  -3.670  -0.499   1.700
  228   HG11  VAL  31          HG11      VAL  31  -3.385   0.094  -0.687
  229   HG12  VAL  31          HG12      VAL  31  -5.101   0.493  -0.765
  230   HG13  VAL  31          HG13      VAL  31  -4.596  -1.165  -0.440
  231   HG21  VAL  31          HG21      VAL  31  -2.866   1.701   1.124
  232   HG22  VAL  31          HG22      VAL  31  -3.955   1.828   2.509
  233   HG23  VAL  31          HG23      VAL  31  -4.519   2.278   0.893
  234    H    ASP  32           H        ASP  32  -7.634  -0.381   0.200
  235    HA   ASP  32           HA       ASP  32  -7.866  -3.269   0.585
  236    HB2  ASP  32           HB2      ASP  32  -9.872  -1.749   0.589
  237    HB3  ASP  32           HB3      ASP  32  -9.528  -1.408  -1.106
  238    H    VAL  33           H        VAL  33  -6.767  -4.568  -0.721
  239    HA   VAL  33           HA       VAL  33  -5.584  -3.486  -3.145
  240    HB   VAL  33           HB       VAL  33  -4.021  -4.607  -1.755
  241   HG11  VAL  33          HG11      VAL  33  -5.979  -6.881  -1.695
  242   HG12  VAL  33          HG12      VAL  33  -5.322  -5.958  -0.339
  243   HG13  VAL  33          HG13      VAL  33  -4.285  -7.066  -1.241
  244   HG21  VAL  33          HG21      VAL  33  -4.733  -6.468  -4.012
  245   HG22  VAL  33          HG22      VAL  33  -3.162  -6.340  -3.220
  246   HG23  VAL  33          HG23      VAL  33  -3.790  -4.986  -4.159
  247    H    MET  34           H        MET  34  -6.160  -3.963  -5.125
  248    HA   MET  34           HA       MET  34  -8.379  -5.833  -5.460
  249    HB2  MET  34           HB2      MET  34  -8.888  -4.637  -7.542
  250    HB3  MET  34           HB3      MET  34  -8.889  -3.586  -6.141
  251    HG2  MET  34           HG2      MET  34  -7.913  -2.371  -7.882
  252    HG3  MET  34           HG3      MET  34  -6.602  -2.831  -6.803
  253    HE1  MET  34           HE1      MET  34  -8.316  -3.957 -10.377
  254    HE2  MET  34           HE2      MET  34  -8.394  -5.247  -9.171
  255    HE3  MET  34           HE3      MET  34  -7.307  -5.397 -10.552
  256    H    GLU  35           H        GLU  35  -5.124  -5.140  -6.688
  257    HA   GLU  35           HA       GLU  35  -5.206  -7.841  -7.837
  258    HB2  GLU  35           HB2      GLU  35  -5.405  -6.131  -9.651
  259    HB3  GLU  35           HB3      GLU  35  -3.811  -5.537  -9.187
  260    HG2  GLU  35           HG2      GLU  35  -3.671  -7.053 -11.087
  261    HG3  GLU  35           HG3      GLU  35  -2.835  -7.691  -9.672
  262    H    LYS  36           H        LYS  36  -3.307  -8.987  -7.829
  263    HA   LYS  36           HA       LYS  36  -1.380  -8.005  -5.822
  264    HB2  LYS  36           HB2      LYS  36  -2.334 -10.829  -6.300
  265    HB3  LYS  36           HB3      LYS  36  -1.168 -10.328  -5.082
  266    HG2  LYS  36           HG2      LYS  36  -2.859  -9.042  -3.933
  267    HG3  LYS  36           HG3      LYS  36  -4.034  -9.408  -5.196
  268    HD2  LYS  36           HD2      LYS  36  -2.677 -11.475  -3.478
  269    HD3  LYS  36           HD3      LYS  36  -4.276 -10.812  -3.148
  270    HE2  LYS  36           HE2      LYS  36  -3.560 -12.165  -5.741
  271    HE3  LYS  36           HE3      LYS  36  -4.213 -13.038  -4.356
  272    HZ1  LYS  36           HZ1      LYS  36  -5.580 -10.759  -5.700
  273    HZ2  LYS  36           HZ2      LYS  36  -6.204 -11.726  -4.462
  274    HZ3  LYS  36           HZ3      LYS  36  -5.918 -12.390  -5.991
  275    H    CYS  37           H        CYS  37   0.592  -7.696  -6.668
  276    HA   CYS  37           HA       CYS  37   1.329  -8.962  -9.172
  277    HB2  CYS  37           HB2      CYS  37   2.929  -7.078  -7.429
  278    HB3  CYS  37           HB3      CYS  37   3.280  -7.520  -9.099
  279    HG   CYS  37           HG       CYS  37   2.257  -4.852  -8.829
  280    H    ASP  38           H        ASP  38   3.419 -10.009  -9.432
  281    HA   ASP  38           HA       ASP  38   3.770 -12.091  -7.513
  282    HB2  ASP  38           HB2      ASP  38   5.346 -11.328  -9.975
  283    HB3  ASP  38           HB3      ASP  38   5.715 -12.738  -8.988
  284    H    ASP  39           H        ASP  39   5.278  -9.028  -8.071
  285    HA   ASP  39           HA       ASP  39   7.695  -9.660  -6.677
  286    HB2  ASP  39           HB2      ASP  39   8.158  -7.216  -6.942
  287    HB3  ASP  39           HB3      ASP  39   7.829  -8.076  -8.441
  288    H    GLY  40           H        GLY  40   4.570  -8.796  -5.634
  289    HA2  GLY  40           HA2      GLY  40   4.132  -9.136  -3.295
  290    HA3  GLY  40           HA3      GLY  40   5.733  -8.503  -2.941
  291    H    TRP  41           H        TRP  41   4.898  -6.422  -5.164
  292    HA   TRP  41           HA       TRP  41   3.639  -4.582  -3.288
  293    HB2  TRP  41           HB2      TRP  41   4.282  -3.949  -6.162
  294    HB3  TRP  41           HB3      TRP  41   4.181  -2.851  -4.795
  295    HD1  TRP  41           HD1      TRP  41   6.667  -3.509  -6.971
  296    HE1  TRP  41           HE1      TRP  41   9.018  -3.785  -5.976
  297    HE3  TRP  41           HE3      TRP  41   5.400  -4.475  -2.088
  298    HZ2  TRP  41           HZ2      TRP  41  10.184  -4.338  -3.471
  299    HZ3  TRP  41           HZ3      TRP  41   7.200  -4.861  -0.475
  300    HH2  TRP  41           HH2      TRP  41   9.543  -4.797  -1.148
  301    H    PHE  42           H        PHE  42   1.530  -3.757  -3.630
  302    HA   PHE  42           HA       PHE  42  -0.037  -5.419  -5.476
  303    HB2  PHE  42           HB2      PHE  42  -0.755  -4.600  -2.658
  304    HB3  PHE  42           HB3      PHE  42  -1.779  -5.513  -3.749
  305    HD1  PHE  42           HD1      PHE  42   0.301  -7.378  -4.892
  306    HD2  PHE  42           HD2      PHE  42  -0.466  -6.092  -0.906
  307    HE1  PHE  42           HE1      PHE  42   1.267  -9.468  -4.035
  308    HE2  PHE  42           HE2      PHE  42   0.510  -8.179  -0.042
  309    HZ   PHE  42           HZ       PHE  42   1.380  -9.869  -1.606
  310    H    VAL  43           H        VAL  43  -2.219  -4.497  -5.929
  311    HA   VAL  43           HA       VAL  43  -2.057  -1.560  -6.051
  312    HB   VAL  43           HB       VAL  43  -3.150  -3.571  -7.985
  313   HG11  VAL  43          HG11      VAL  43  -4.051  -0.689  -7.802
  314   HG12  VAL  43          HG12      VAL  43  -5.069  -2.111  -7.537
  315   HG13  VAL  43          HG13      VAL  43  -4.394  -1.790  -9.138
  316   HG21  VAL  43          HG21      VAL  43  -2.016  -2.095  -9.568
  317   HG22  VAL  43          HG22      VAL  43  -0.923  -2.604  -8.272
  318   HG23  VAL  43          HG23      VAL  43  -1.650  -0.996  -8.236
  319    H    GLY  44           H        GLY  44  -3.623  -0.346  -5.164
  320    HA2  GLY  44           HA2      GLY  44  -6.269  -1.308  -4.714
  321    HA3  GLY  44           HA3      GLY  44  -5.348  -1.373  -3.222
  322    H    THR  45           H        THR  45  -6.823   0.137  -2.339
  323    HA   THR  45           HA       THR  45  -6.476   2.895  -3.295
  324    HB   THR  45           HB       THR  45  -9.066   1.569  -2.508
  325    HG1  THR  45           HG1      THR  45  -7.823   2.127  -4.925
  326   HG21  THR  45          HG21      THR  45 -10.090   3.730  -3.254
  327   HG22  THR  45          HG22      THR  45  -8.465   4.417  -3.270
  328   HG23  THR  45          HG23      THR  45  -9.160   3.831  -1.759
  329    H    SER  46           H        SER  46  -6.366   4.430  -1.745
  330    HA   SER  46           HA       SER  46  -5.814   3.635   0.950
  331    HB2  SER  46           HB2      SER  46  -4.622   5.504  -0.136
  332    HB3  SER  46           HB3      SER  46  -6.137   6.392  -0.270
  333    HG   SER  46           HG       SER  46  -5.042   5.522   2.216
  334    H    ARG  47           H        ARG  47  -7.165   3.664   2.680
  335    HA   ARG  47           HA       ARG  47  -9.965   4.082   2.310
  336    HB2  ARG  47           HB2      ARG  47  -8.833   2.478   3.923
  337    HB3  ARG  47           HB3      ARG  47  -8.512   3.871   4.941
  338    HG2  ARG  47           HG2      ARG  47 -10.917   4.297   5.102
  339    HG3  ARG  47           HG3      ARG  47 -11.225   2.868   4.111
  340    HD2  ARG  47           HD2      ARG  47 -10.130   1.470   5.792
  341    HD3  ARG  47           HD3      ARG  47  -9.805   2.889   6.768
  342    HE   ARG  47           HE       ARG  47 -12.581   2.140   6.118
  343   HH11  ARG  47          HH11      ARG  47 -10.060   2.742   8.478
  344   HH12  ARG  47          HH12      ARG  47 -11.124   2.624   9.848
  345   HH21  ARG  47          HH22      ARG  47 -13.994   1.970   7.929
  346   HH22  ARG  47          HH21      ARG  47 -13.357   2.201   9.532
  347    H    ARG  48           H        ARG  48  -7.338   6.066   3.460
  348    HA   ARG  48           HA       ARG  48  -8.980   7.995   4.796
  349    HB2  ARG  48           HB2      ARG  48  -6.682   7.650   5.475
  350    HB3  ARG  48           HB3      ARG  48  -6.108   8.077   3.872
  351    HG2  ARG  48           HG2      ARG  48  -7.080  10.363   4.239
  352    HG3  ARG  48           HG3      ARG  48  -7.350   9.885   5.919
  353    HD2  ARG  48           HD2      ARG  48  -4.980   9.434   6.194
  354    HD3  ARG  48           HD3      ARG  48  -4.695   9.832   4.504
  355    HE   ARG  48           HE       ARG  48  -5.803  11.889   6.279
  356   HH11  ARG  48          HH11      ARG  48  -3.139  10.656   4.363
  357   HH12  ARG  48          HH12      ARG  48  -2.230  12.144   4.430
  358   HH21  ARG  48          HH22      ARG  48  -4.615  13.836   6.388
  359   HH22  ARG  48          HH21      ARG  48  -3.079  13.959   5.579
  360    H    THR  49           H        THR  49  -7.268   7.939   1.684
  361    HA   THR  49           HA       THR  49  -8.577  10.485   1.027
  362    HB   THR  49           HB       THR  49  -6.398  11.086   0.936
  363    HG1  THR  49           HG1      THR  49  -5.613  10.480  -1.383
  364   HG21  THR  49          HG21      THR  49  -4.520   9.630   0.343
  365   HG22  THR  49          HG22      THR  49  -5.656   8.314   0.039
  366   HG23  THR  49          HG23      THR  49  -5.488   8.972   1.666
  367    H    LYS  50           H        LYS  50  -8.540   7.236   0.271
  368    HA   LYS  50           HA       LYS  50  -9.576   5.956  -1.263
  369    HB2  LYS  50           HB2      LYS  50 -11.040   8.479  -2.044
  370    HB3  LYS  50           HB3      LYS  50 -11.512   6.838  -2.450
  371    HG2  LYS  50           HG2      LYS  50 -11.561   8.179   0.233
  372    HG3  LYS  50           HG3      LYS  50 -12.906   7.499  -0.677
  373    HD2  LYS  50           HD2      LYS  50 -10.705   6.026   0.756
  374    HD3  LYS  50           HD3      LYS  50 -12.429   6.011   1.120
  375    HE2  LYS  50           HE2      LYS  50 -11.099   4.861  -1.322
  376    HE3  LYS  50           HE3      LYS  50 -11.754   3.949   0.030
  377    HZ1  LYS  50           HZ1      LYS  50 -13.334   5.650  -1.831
  378    HZ2  LYS  50           HZ2      LYS  50 -13.961   4.766  -0.526
  379    HZ3  LYS  50           HZ3      LYS  50 -13.267   3.956  -1.845
  380    H    GLN  51           H        GLN  51  -7.091   7.154  -1.977
  381    HA   GLN  51           HA       GLN  51  -7.318   7.676  -4.824
  382    HB2  GLN  51           HB2      GLN  51  -4.696   7.644  -4.533
  383    HB3  GLN  51           HB3      GLN  51  -5.640   9.045  -4.045
  384    HG2  GLN  51           HG2      GLN  51  -5.606   8.215  -1.730
  385    HG3  GLN  51           HG3      GLN  51  -4.610   6.859  -2.253
  386   HE21  GLN  51          HE22      GLN  51  -2.940   7.477  -0.874
  387   HE22  GLN  51          HE21      GLN  51  -1.928   8.837  -1.210
  388    H    PHE  52           H        PHE  52  -6.404   6.346  -6.403
  389    HA   PHE  52           HA       PHE  52  -6.139   3.547  -5.522
  390    HB2  PHE  52           HB2      PHE  52  -8.232   3.825  -6.642
  391    HB3  PHE  52           HB3      PHE  52  -7.481   4.696  -7.970
  392    HD1  PHE  52           HD2      PHE  52  -6.837   1.421  -6.277
  393    HD2  PHE  52           HD1      PHE  52  -7.541   3.508  -9.915
  394    HE1  PHE  52           HE2      PHE  52  -6.642  -0.684  -7.520
  395    HE2  PHE  52           HE1      PHE  52  -7.342   1.402 -11.165
  396    HZ   PHE  52           HZ       PHE  52  -6.894  -0.700  -9.969
  397    H    GLY  53           H        GLY  53  -4.351   2.548  -6.026
  398    HA2  GLY  53           HA2      GLY  53  -2.914   2.855  -8.429
  399    HA3  GLY  53           HA3      GLY  53  -2.137   3.815  -7.175
  400    H    THR  54           H        THR  54  -0.321   2.507  -7.307
  401    HA   THR  54           HA       THR  54  -0.636  -0.243  -6.322
  402    HB   THR  54           HB       THR  54   0.497  -0.270  -8.384
  403    HG1  THR  54           HG1      THR  54   2.889  -0.326  -7.101
  404   HG21  THR  54          HG21      THR  54   2.661   1.142  -8.605
  405   HG22  THR  54          HG22      THR  54   1.940   2.122  -7.324
  406   HG23  THR  54          HG23      THR  54   1.093   1.910  -8.861
  407    H    PHE  55           H        PHE  55   0.426  -0.902  -4.498
  408    HA   PHE  55           HA       PHE  55   2.173   0.993  -3.133
  409    HB2  PHE  55           HB2      PHE  55   0.998   0.800  -1.020
  410    HB3  PHE  55           HB3      PHE  55  -0.130   1.367  -2.235
  411    HD1  PHE  55           HD1      PHE  55  -1.597  -0.441  -3.368
  412    HD2  PHE  55           HD2      PHE  55   0.460  -1.017   0.308
  413    HE1  PHE  55           HE1      PHE  55  -3.105  -2.307  -2.824
  414    HE2  PHE  55           HE2      PHE  55  -1.042  -2.884   0.863
  415    HZ   PHE  55           HZ       PHE  55  -2.827  -3.533  -0.706
  416    HA   PRO  56           HA       PRO  56   4.418  -2.761  -2.339
  417    HB2  PRO  56           HB3      PRO  56   5.467  -1.306   0.008
  418    HB3  PRO  56           HB2      PRO  56   6.334  -2.028  -1.351
  419    HG2  PRO  56           HG2      PRO  56   6.088   0.627  -1.113
  420    HG3  PRO  56           HG3      PRO  56   6.048  -0.165  -2.697
  421    HD2  PRO  56           HD2      PRO  56   3.777   0.888  -1.047
  422    HD3  PRO  56           HD3      PRO  56   4.025   0.967  -2.805
  423    H    GLY  57           H        GLY  57   3.069  -4.321  -1.564
  424    HA2  GLY  57           HA2      GLY  57   1.565  -3.969   0.866
  425    HA3  GLY  57           HA3      GLY  57   1.606  -5.423  -0.117
  426    H    ASN  58           H        ASN  58   4.506  -3.937   0.958
  427    HA   ASN  58           HA       ASN  58   5.126  -6.198   2.693
  428    HB2  ASN  58           HB2      ASN  58   6.712  -5.305   0.903
  429    HB3  ASN  58           HB3      ASN  58   6.898  -3.873   1.910
  430   HD21  ASN  58          HD22      ASN  58   7.547  -7.262   1.606
  431   HD22  ASN  58          HD21      ASN  58   8.750  -7.356   2.855
  432    H    TYR  59           H        TYR  59   3.891  -3.092   2.788
  433    HA   TYR  59           HA       TYR  59   4.751  -2.630   5.570
  434    HB2  TYR  59           HB2      TYR  59   3.755  -0.610   3.550
  435    HB3  TYR  59           HB3      TYR  59   4.363  -0.252   5.156
  436    HD1  TYR  59           HD2      TYR  59   6.854  -1.036   5.598
  437    HD2  TYR  59           HD1      TYR  59   5.148  -0.450   1.748
  438    HE1  TYR  59           HE2      TYR  59   9.107  -0.783   4.640
  439    HE2  TYR  59           HE1      TYR  59   7.384  -0.191   0.784
  440    HH   TYR  59           HH       TYR  59  10.222  -1.020   2.440
  441    H    VAL  60           H        VAL  60   2.447  -4.251   4.568
  442    HA   VAL  60           HA       VAL  60   0.365  -2.885   6.080
  443    HB   VAL  60           HB       VAL  60  -1.372  -3.519   4.378
  444   HG11  VAL  60          HG11      VAL  60   0.672  -1.608   3.259
  445   HG12  VAL  60          HG12      VAL  60  -0.360  -1.207   4.632
  446   HG13  VAL  60          HG13      VAL  60  -1.081  -1.566   3.057
  447   HG21  VAL  60          HG21      VAL  60   1.074  -4.063   2.709
  448   HG22  VAL  60          HG22      VAL  60  -0.539  -3.804   2.039
  449   HG23  VAL  60          HG23      VAL  60  -0.238  -5.168   3.113
  450    H    LYS  61           H        LYS  61  -1.377  -4.334   6.724
  451    HA   LYS  61           HA       LYS  61  -0.408  -7.096   7.030
  452    HB2  LYS  61           HB2      LYS  61  -0.970  -7.005   9.379
  453    HB3  LYS  61           HB3      LYS  61   0.135  -5.697   8.983
  454    HG2  LYS  61           HG2      LYS  61  -2.134  -4.369   8.672
  455    HG3  LYS  61           HG3      LYS  61  -2.716  -5.599   9.787
  456    HD2  LYS  61           HD2      LYS  61  -0.579  -3.539  10.211
  457    HD3  LYS  61           HD3      LYS  61  -2.048  -3.808  11.147
  458    HE2  LYS  61           HE2      LYS  61  -1.076  -6.046  11.793
  459    HE3  LYS  61           HE3      LYS  61   0.439  -5.497  11.061
  460    HZ1  LYS  61           HZ1      LYS  61  -0.984  -4.308  13.378
  461    HZ2  LYS  61           HZ2      LYS  61   0.314  -3.546  12.593
  462    HZ3  LYS  61           HZ3      LYS  61   0.549  -5.032  13.374
  463    HA   PRO  62           HA       PRO  62  -4.467  -8.282   5.787
  464    HB2  PRO  62           HB3      PRO  62  -4.234 -10.595   7.592
  465    HB3  PRO  62           HB2      PRO  62  -4.403 -10.554   5.836
  466    HG2  PRO  62           HG2      PRO  62  -2.090 -11.235   7.015
  467    HG3  PRO  62           HG3      PRO  62  -2.134 -10.329   5.492
  468    HD2  PRO  62           HD2      PRO  62  -1.623  -9.343   8.271
  469    HD3  PRO  62           HD3      PRO  62  -0.837  -8.882   6.746
  470    H    LEU  63           H        LEU  63  -6.427  -7.707   6.430
  471    HA   LEU  63           HA       LEU  63  -6.975  -7.527   9.318
  472    HB2  LEU  63           HB2      LEU  63  -8.184  -5.983   7.021
  473    HB3  LEU  63           HB3      LEU  63  -8.663  -5.829   8.698
  474    HG   LEU  63           HG       LEU  63  -5.938  -5.144   7.607
  475   HD11  LEU  63          HD11      LEU  63  -8.164  -3.344   8.537
  476   HD12  LEU  63          HD12      LEU  63  -7.773  -3.680   6.851
  477   HD13  LEU  63          HD13      LEU  63  -6.601  -2.853   7.880
  478   HD21  LEU  63          HD21      LEU  63  -5.896  -5.893   9.944
  479   HD22  LEU  63          HD22      LEU  63  -7.142  -4.710  10.343
  480   HD23  LEU  63          HD23      LEU  63  -5.550  -4.169   9.808
  481    H    TYR  64           H        TYR  64  -9.730  -7.169   9.144
  482    HA   TYR  64           HA       TYR  64 -10.591  -9.886   8.545
  483    HB2  TYR  64           HB2      TYR  64 -12.484  -7.785   9.509
  484    HB3  TYR  64           HB3      TYR  64 -12.446  -9.500   9.877
  485    HD1  TYR  64           HD2      TYR  64 -10.972 -10.365  11.643
  486    HD2  TYR  64           HD1      TYR  64 -11.227  -6.198  10.812
  487    HE1  TYR  64           HE2      TYR  64  -9.921  -9.869  13.813
  488    HE2  TYR  64           HE1      TYR  64 -10.185  -5.696  12.979
  489    HH   TYR  64           HH       TYR  64  -8.675  -8.079  14.901
  490    H    LEU  65           H        LEU  65 -12.007 -10.405   6.938
  491    HA   LEU  65           HA       LEU  65 -12.817  -8.222   5.146
  492    HB2  LEU  65           HB2      LEU  65 -12.181 -11.108   4.564
  493    HB3  LEU  65           HB3      LEU  65 -13.013 -10.073   3.424
  494    HG   LEU  65           HG       LEU  65 -10.226  -9.640   4.493
  495   HD11  LEU  65          HD11      LEU  65  -9.514 -10.120   2.216
  496   HD12  LEU  65          HD12      LEU  65 -11.183 -10.431   1.746
  497   HD13  LEU  65          HD13      LEU  65 -10.383 -11.491   2.904
  498   HD21  LEU  65          HD21      LEU  65 -11.415  -7.535   4.078
  499   HD22  LEU  65          HD22      LEU  65 -11.780  -8.071   2.437
  500   HD23  LEU  65          HD23      LEU  65 -10.107  -7.788   2.922
  Start of MODEL   10
    1    H1   GLN   1           H1       GLN   1 -19.982  -4.062  -6.511
    2    H2   GLN   1           H2       GLN   1 -19.727  -3.758  -8.157
    3    H3   GLN   1           H3       GLN   1 -20.473  -2.583  -7.190
    4    HA   GLN   1           HA       GLN   1 -18.227  -1.931  -7.578
    5    HB2  GLN   1           HB2      GLN   1 -18.611  -3.053  -4.794
    6    HB3  GLN   1           HB3      GLN   1 -17.375  -1.890  -5.242
    7    HG2  GLN   1           HG2      GLN   1 -19.103  -0.270  -5.822
    8    HG3  GLN   1           HG3      GLN   1 -20.345  -1.440  -5.378
    9   HE21  GLN   1          HE22      GLN   1 -17.858   0.687  -4.214
   10   HE22  GLN   1          HE21      GLN   1 -18.331   0.651  -2.546
   11    H    THR   2           H        THR   2 -16.159  -2.472  -8.004
   12    HA   THR   2           HA       THR   2 -15.421  -5.290  -7.781
   13    HB   THR   2           HB       THR   2 -13.858  -3.069  -9.111
   14    HG1  THR   2           HG1      THR   2 -14.916  -4.195 -11.047
   15   HG21  THR   2          HG21      THR   2 -13.834  -6.073  -9.483
   16   HG22  THR   2          HG22      THR   2 -12.594  -5.123  -8.661
   17   HG23  THR   2          HG23      THR   2 -12.862  -4.915 -10.391
   18    H    SER   3           H        SER   3 -14.736  -2.177  -6.435
   19    HA   SER   3           HA       SER   3 -12.639  -3.359  -4.754
   20    HB2  SER   3           HB2      SER   3 -11.810  -0.869  -4.696
   21    HB3  SER   3           HB3      SER   3 -11.402  -1.899  -6.069
   22    HG   SER   3           HG       SER   3 -12.350  -0.444  -7.237
   23    H    GLN   4           H        GLN   4 -13.822  -3.769  -2.969
   24    HA   GLN   4           HA       GLN   4 -14.819  -1.420  -1.542
   25    HB2  GLN   4           HB2      GLN   4 -16.666  -2.783  -0.576
   26    HB3  GLN   4           HB3      GLN   4 -16.843  -2.476  -2.294
   27    HG2  GLN   4           HG2      GLN   4 -15.870  -5.059  -1.076
   28    HG3  GLN   4           HG3      GLN   4 -17.524  -4.742  -1.582
   29   HE21  GLN   4          HE22      GLN   4 -15.637  -6.780  -2.449
   30   HE22  GLN   4          HE21      GLN   4 -15.486  -6.588  -4.169
   31    H    ASP   5           H        ASP   5 -15.372  -4.394  -0.011
   32    HA   ASP   5           HA       ASP   5 -12.850  -4.258   1.472
   33    HB2  ASP   5           HB2      ASP   5 -13.963  -5.968   2.945
   34    HB3  ASP   5           HB3      ASP   5 -14.762  -4.402   2.914
   35    H    LEU   6           H        LEU   6 -12.522  -4.993  -1.092
   36    HA   LEU   6           HA       LEU   6 -12.950  -7.682  -1.781
   37    HB2  LEU   6           HB2      LEU   6 -12.491  -5.959  -3.441
   38    HB3  LEU   6           HB3      LEU   6 -10.884  -5.718  -2.784
   39    HG   LEU   6           HG       LEU   6 -10.276  -8.013  -3.473
   40   HD11  LEU   6          HD11      LEU   6 -11.738  -9.257  -4.973
   41   HD12  LEU   6          HD12      LEU   6 -12.989  -8.027  -4.793
   42   HD13  LEU   6          HD13      LEU   6 -12.513  -9.008  -3.409
   43   HD21  LEU   6          HD21      LEU   6  -9.775  -6.135  -4.931
   44   HD22  LEU   6          HD22      LEU   6 -11.373  -6.261  -5.670
   45   HD23  LEU   6          HD23      LEU   6 -10.198  -7.559  -5.880
   46    H    PHE   7           H        PHE   7  -9.994  -6.046  -0.720
   47    HA   PHE   7           HA       PHE   7  -9.305  -8.199   1.028
   48    HB2  PHE   7           HB2      PHE   7  -8.489  -8.909  -1.357
   49    HB3  PHE   7           HB3      PHE   7  -7.264  -7.669  -1.111
   50    HD1  PHE   7           HD2      PHE   7  -7.750  -8.706   2.073
   51    HD2  PHE   7           HD1      PHE   7  -6.224 -10.199  -1.606
   52    HE1  PHE   7           HE2      PHE   7  -6.370 -10.319   3.311
   53    HE2  PHE   7           HE1      PHE   7  -4.835 -11.814  -0.374
   54    HZ   PHE   7           HZ       PHE   7  -4.906 -11.878   2.086
   55    H    SER   8           H        SER   8  -8.695  -7.025   2.710
   56    HA   SER   8           HA       SER   8  -7.614  -4.360   2.139
   57    HB2  SER   8           HB2      SER   8  -9.834  -4.342   3.173
   58    HB3  SER   8           HB3      SER   8  -9.243  -5.332   4.506
   59    HG   SER   8           HG       SER   8  -9.341  -2.804   4.543
   60    H    TYR   9           H        TYR   9  -5.796  -3.674   3.058
   61    HA   TYR   9           HA       TYR   9  -4.618  -5.323   5.194
   62    HB2  TYR   9           HB2      TYR   9  -3.115  -3.740   3.099
   63    HB3  TYR   9           HB3      TYR   9  -2.389  -4.616   4.433
   64    HD1  TYR   9           HD2      TYR   9  -3.984  -7.184   4.241
   65    HD2  TYR   9           HD1      TYR   9  -2.164  -4.750   1.282
   66    HE1  TYR   9           HE2      TYR   9  -3.725  -9.154   2.788
   67    HE2  TYR   9           HE1      TYR   9  -1.893  -6.697  -0.181
   68    HH   TYR   9           HH       TYR   9  -1.748  -9.147   0.030
   69    H    GLN  10           H        GLN  10  -3.594  -4.180   6.860
   70    HA   GLN  10           HA       GLN  10  -4.171  -1.293   6.883
   71    HB2  GLN  10           HB2      GLN  10  -5.131  -2.796   8.717
   72    HB3  GLN  10           HB3      GLN  10  -3.478  -2.957   9.298
   73    HG2  GLN  10           HG2      GLN  10  -3.342  -0.520   9.538
   74    HG3  GLN  10           HG3      GLN  10  -5.012  -0.386   9.005
   75   HE21  GLN  10          HE22      GLN  10  -6.673  -1.084  10.363
   76   HE22  GLN  10          HE21      GLN  10  -6.421  -1.342  12.057
   77    H    ALA  11           H        ALA  11  -2.535   0.119   7.107
   78    HA   ALA  11           HA       ALA  11   0.021  -0.795   6.283
   79    HB1  ALA  11           HB1      ALA  11   0.620   1.619   6.481
   80    HB2  ALA  11           HB2      ALA  11  -1.005   1.895   7.124
   81    HB3  ALA  11           HB3      ALA  11  -0.795   1.286   5.479
   82    H    LEU  12           H        LEU  12   1.758  -1.237   7.364
   83    HA   LEU  12           HA       LEU  12   1.764  -1.293  10.244
   84    HB2  LEU  12           HB2      LEU  12   3.725  -2.124   8.113
   85    HB3  LEU  12           HB3      LEU  12   4.100  -2.230   9.823
   86    HG   LEU  12           HG       LEU  12   1.589  -3.521   8.940
   87   HD11  LEU  12          HD11      LEU  12   4.327  -4.513   8.196
   88   HD12  LEU  12          HD12      LEU  12   2.941  -4.238   7.138
   89   HD13  LEU  12          HD13      LEU  12   2.913  -5.561   8.302
   90   HD21  LEU  12          HD21      LEU  12   3.837  -4.349  10.771
   91   HD22  LEU  12          HD22      LEU  12   2.288  -5.174  10.584
   92   HD23  LEU  12          HD23      LEU  12   2.345  -3.552  11.271
   93    H    TYR  13           H        TYR  13   3.015   0.727   7.723
   94    HA   TYR  13           HA       TYR  13   4.281   2.486   9.687
   95    HB2  TYR  13           HB2      TYR  13   5.745   1.580   7.194
   96    HB3  TYR  13           HB3      TYR  13   6.357   2.650   8.443
   97    HD1  TYR  13           HD2      TYR  13   7.007   1.727  10.650
   98    HD2  TYR  13           HD1      TYR  13   5.818  -0.789   7.433
   99    HE1  TYR  13           HE2      TYR  13   8.002  -0.208  11.800
  100    HE2  TYR  13           HE1      TYR  13   6.807  -2.724   8.571
  101    HH   TYR  13           HH       TYR  13   8.444  -3.244  10.235
  102    H    SER  14           H        SER  14   4.850   4.587   8.731
  103    HA   SER  14           HA       SER  14   3.015   5.360   6.602
  104    HB2  SER  14           HB2      SER  14   4.917   7.062   8.241
  105    HB3  SER  14           HB3      SER  14   3.664   7.657   7.150
  106    HG   SER  14           HG       SER  14   3.463   6.857   9.729
  107    H    TYR  15           H        TYR  15   3.655   5.552   4.531
  108    HA   TYR  15           HA       TYR  15   6.551   5.638   4.003
  109    HB2  TYR  15           HB2      TYR  15   5.757   3.349   3.637
  110    HB3  TYR  15           HB3      TYR  15   4.508   3.942   2.558
  111    HD1  TYR  15           HD2      TYR  15   8.176   3.599   2.951
  112    HD2  TYR  15           HD1      TYR  15   4.944   4.330   0.287
  113    HE1  TYR  15           HE2      TYR  15   9.703   3.380   1.040
  114    HE2  TYR  15           HE1      TYR  15   6.463   4.107  -1.627
  115    HH   TYR  15           HH       TYR  15   8.882   4.339  -2.092
  116    H    ILE  16           H        ILE  16   7.203   7.028   2.554
  117    HA   ILE  16           HA       ILE  16   5.210   8.589   1.094
  118    HB   ILE  16           HB       ILE  16   8.131   9.129   1.663
  119   HG12  ILE  16          HG12      ILE  16   6.722   9.442   3.614
  120   HG13  ILE  16          HG13      ILE  16   7.237  11.012   3.008
  121   HG21  ILE  16          HG21      ILE  16   6.135  10.806   0.144
  122   HG22  ILE  16          HG22      ILE  16   7.570  10.023  -0.515
  123   HG23  ILE  16          HG23      ILE  16   7.739  11.342   0.642
  124   HD11  ILE  16          HD11      ILE  16   5.060  11.314   1.944
  125   HD12  ILE  16          HD12      ILE  16   4.907  11.049   3.680
  126   HD13  ILE  16          HD13      ILE  16   4.547   9.741   2.553
  127    HA   PRO  17           HA       PRO  17   6.208   5.945  -2.389
  128    HB2  PRO  17           HB3      PRO  17   4.651   8.063  -3.776
  129    HB3  PRO  17           HB2      PRO  17   4.428   6.310  -3.793
  130    HG2  PRO  17           HG2      PRO  17   2.775   7.873  -2.418
  131    HG3  PRO  17           HG3      PRO  17   3.295   6.306  -1.768
  132    HD2  PRO  17           HD2      PRO  17   4.228   9.058  -1.065
  133    HD3  PRO  17           HD3      PRO  17   3.931   7.665  -0.005
  134    H    GLN  18           H        GLN  18   7.700   5.995  -3.959
  135    HA   GLN  18           HA       GLN  18   9.308   8.398  -4.213
  136    HB2  GLN  18           HB2      GLN  18   9.722   5.676  -5.461
  137    HB3  GLN  18           HB3      GLN  18  10.902   6.975  -5.379
  138    HG2  GLN  18           HG2      GLN  18   9.758   5.535  -2.997
  139    HG3  GLN  18           HG3      GLN  18  11.310   5.171  -3.753
  140   HE21  GLN  18          HE22      GLN  18  13.006   6.650  -3.555
  141   HE22  GLN  18          HE21      GLN  18  13.008   7.868  -2.329
  142    H    ASN  19           H        ASN  19   6.925   6.626  -5.816
  143    HA   ASN  19           HA       ASN  19   7.309   8.128  -8.323
  144    HB2  ASN  19           HB2      ASN  19   6.064   5.436  -7.772
  145    HB3  ASN  19           HB3      ASN  19   5.995   6.240  -9.341
  146   HD21  ASN  19          HD22      ASN  19   7.985   4.615  -7.012
  147   HD22  ASN  19          HD21      ASN  19   9.349   4.353  -8.052
  148    H    ASP  20           H        ASP  20   5.428   8.903  -9.367
  149    HA   ASP  20           HA       ASP  20   3.391   9.842  -7.565
  150    HB2  ASP  20           HB2      ASP  20   4.270  11.247  -9.397
  151    HB3  ASP  20           HB3      ASP  20   3.627  10.111 -10.577
  152    H    ASP  21           H        ASP  21   3.860   7.047  -9.300
  153    HA   ASP  21           HA       ASP  21   1.108   6.464  -9.950
  154    HB2  ASP  21           HB2      ASP  21   3.552   4.673  -9.977
  155    HB3  ASP  21           HB3      ASP  21   1.991   4.296 -10.686
  156    H    GLU  22           H        GLU  22   2.998   6.325  -7.175
  157    HA   GLU  22           HA       GLU  22   1.826   3.837  -6.202
  158    HB2  GLU  22           HB2      GLU  22   4.064   5.562  -5.159
  159    HB3  GLU  22           HB3      GLU  22   3.458   4.146  -4.314
  160    HG2  GLU  22           HG2      GLU  22   4.166   2.692  -6.017
  161    HG3  GLU  22           HG3      GLU  22   4.456   4.014  -7.140
  162    H    LEU  23           H        LEU  23   1.192   3.739  -3.914
  163    HA   LEU  23           HA       LEU  23  -0.717   5.897  -3.371
  164    HB2  LEU  23           HB2      LEU  23  -1.258   3.340  -3.626
  165    HB3  LEU  23           HB3      LEU  23  -0.658   3.232  -1.989
  166    HG   LEU  23           HG       LEU  23  -3.166   3.402  -2.224
  167   HD11  LEU  23          HD11      LEU  23  -1.851   5.573  -0.618
  168   HD12  LEU  23          HD12      LEU  23  -2.020   3.890  -0.122
  169   HD13  LEU  23          HD13      LEU  23  -3.454   4.889  -0.352
  170   HD21  LEU  23          HD21      LEU  23  -3.273   4.998  -4.017
  171   HD22  LEU  23          HD22      LEU  23  -2.470   6.213  -3.021
  172   HD23  LEU  23          HD23      LEU  23  -4.085   5.643  -2.587
  173    H    GLU  24           H        GLU  24  -0.699   7.029  -1.462
  174    HA   GLU  24           HA       GLU  24   1.738   6.955   0.059
  175    HB2  GLU  24           HB2      GLU  24  -0.659   8.716  -0.010
  176    HB3  GLU  24           HB3      GLU  24   0.332   8.716   1.445
  177    HG2  GLU  24           HG2      GLU  24   2.296   9.224   0.108
  178    HG3  GLU  24           HG3      GLU  24   1.294   9.269  -1.345
  179    H    LEU  25           H        LEU  25   2.128   5.904   1.830
  180    HA   LEU  25           HA       LEU  25  -0.125   4.495   3.090
  181    HB2  LEU  25           HB2      LEU  25   2.824   3.889   3.234
  182    HB3  LEU  25           HB3      LEU  25   1.544   2.930   3.946
  183    HG   LEU  25           HG       LEU  25   1.836   3.405   0.983
  184   HD11  LEU  25          HD11      LEU  25   2.694   1.057   2.664
  185   HD12  LEU  25          HD12      LEU  25   3.740   2.151   1.753
  186   HD13  LEU  25          HD13      LEU  25   2.633   1.073   0.900
  187   HD21  LEU  25          HD21      LEU  25   0.249   1.552   0.800
  188   HD22  LEU  25          HD22      LEU  25  -0.438   2.906   1.699
  189   HD23  LEU  25          HD23      LEU  25   0.138   1.478   2.559
  190    H    ARG  26           H        ARG  26  -0.512   4.673   5.232
  191    HA   ARG  26           HA       ARG  26   1.263   6.387   6.827
  192    HB2  ARG  26           HB2      ARG  26  -0.539   7.830   6.369
  193    HB3  ARG  26           HB3      ARG  26  -1.724   6.539   6.515
  194    HG2  ARG  26           HG2      ARG  26  -0.907   6.447   8.981
  195    HG3  ARG  26           HG3      ARG  26  -0.315   8.075   8.644
  196    HD2  ARG  26           HD2      ARG  26  -2.460   8.897   8.243
  197    HD3  ARG  26           HD3      ARG  26  -3.137   7.282   8.018
  198    HE   ARG  26           HE       ARG  26  -2.237   8.353  10.624
  199   HH11  ARG  26          HH11      ARG  26  -4.455   6.461   8.668
  200   HH12  ARG  26          HH12      ARG  26  -5.333   5.847  10.037
  201   HH21  ARG  26          HH22      ARG  26  -3.389   7.527  12.421
  202   HH22  ARG  26          HH21      ARG  26  -4.708   6.423  12.174
  203    H    ASP  27           H        ASP  27   1.546   5.762   8.896
  204    HA   ASP  27           HA       ASP  27   1.244   3.112   9.658
  205    HB2  ASP  27           HB2      ASP  27   2.836   4.471  10.808
  206    HB3  ASP  27           HB3      ASP  27   1.595   5.602  11.328
  207    H    GLY  28           H        GLY  28  -0.606   2.058   9.755
  208    HA2  GLY  28           HA2      GLY  28  -2.451   1.372  11.029
  209    HA3  GLY  28           HA3      GLY  28  -2.627   3.009  11.643
  210    H    ASP  29           H        ASP  29  -2.208   3.456   8.447
  211    HA   ASP  29           HA       ASP  29  -5.055   3.831   8.040
  212    HB2  ASP  29           HB2      ASP  29  -2.990   5.323   7.234
  213    HB3  ASP  29           HB3      ASP  29  -3.118   4.280   5.820
  214    H    ILE  30           H        ILE  30  -6.218   2.929   6.237
  215    HA   ILE  30           HA       ILE  30  -5.294   0.194   5.736
  216    HB   ILE  30           HB       ILE  30  -8.021   1.406   5.945
  217   HG12  ILE  30          HG12      ILE  30  -8.257  -0.725   7.401
  218   HG13  ILE  30          HG13      ILE  30  -6.502  -0.759   7.349
  219   HG21  ILE  30          HG21      ILE  30  -8.914  -0.866   5.295
  220   HG22  ILE  30          HG22      ILE  30  -7.327  -1.166   4.596
  221   HG23  ILE  30          HG23      ILE  30  -8.311   0.158   3.994
  222   HD11  ILE  30          HD11      ILE  30  -7.138   0.345   9.344
  223   HD12  ILE  30          HD12      ILE  30  -8.267   1.392   8.479
  224   HD13  ILE  30          HD13      ILE  30  -6.534   1.574   8.233
  225    H    VAL  31           H        VAL  31  -5.096  -0.621   3.747
  226    HA   VAL  31           HA       VAL  31  -6.207   0.893   1.487
  227    HB   VAL  31           HB       VAL  31  -3.448  -0.320   1.651
  228   HG11  VAL  31          HG11      VAL  31  -3.264   0.114  -0.786
  229   HG12  VAL  31          HG12      VAL  31  -5.000   0.439  -0.831
  230   HG13  VAL  31          HG13      VAL  31  -4.412  -1.166  -0.397
  231   HG21  VAL  31          HG21      VAL  31  -2.745   1.858   0.859
  232   HG22  VAL  31          HG22      VAL  31  -3.744   2.042   2.304
  233   HG23  VAL  31          HG23      VAL  31  -4.429   2.364   0.706
  234    H    ASP  32           H        ASP  32  -7.533  -0.250   0.301
  235    HA   ASP  32           HA       ASP  32  -7.715  -3.136   0.594
  236    HB2  ASP  32           HB2      ASP  32  -9.776  -1.756   0.459
  237    HB3  ASP  32           HB3      ASP  32  -9.276  -1.211  -1.140
  238    H    VAL  33           H        VAL  33  -6.603  -4.458  -0.681
  239    HA   VAL  33           HA       VAL  33  -5.318  -3.368  -3.046
  240    HB   VAL  33           HB       VAL  33  -3.864  -4.647  -1.663
  241   HG11  VAL  33          HG11      VAL  33  -6.037  -6.676  -1.671
  242   HG12  VAL  33          HG12      VAL  33  -5.090  -6.030  -0.322
  243   HG13  VAL  33          HG13      VAL  33  -4.363  -7.181  -1.444
  244   HG21  VAL  33          HG21      VAL  33  -4.612  -6.323  -4.050
  245   HG22  VAL  33          HG22      VAL  33  -3.061  -6.336  -3.208
  246   HG23  VAL  33          HG23      VAL  33  -3.580  -4.892  -4.081
  247    H    MET  34           H        MET  34  -6.087  -3.588  -4.991
  248    HA   MET  34           HA       MET  34  -8.347  -5.386  -5.399
  249    HB2  MET  34           HB2      MET  34  -9.091  -3.991  -7.109
  250    HB3  MET  34           HB3      MET  34  -8.446  -2.883  -5.920
  251    HG2  MET  34           HG2      MET  34  -7.654  -1.998  -7.876
  252    HG3  MET  34           HG3      MET  34  -6.285  -2.988  -7.356
  253    HE1  MET  34           HE1      MET  34  -6.686  -1.898 -10.339
  254    HE2  MET  34           HE2      MET  34  -6.318  -3.316 -11.319
  255    HE3  MET  34           HE3      MET  34  -5.317  -2.931  -9.917
  256    H    GLU  35           H        GLU  35  -5.114  -4.623  -6.605
  257    HA   GLU  35           HA       GLU  35  -5.254  -7.131  -8.149
  258    HB2  GLU  35           HB2      GLU  35  -5.129  -5.044  -9.527
  259    HB3  GLU  35           HB3      GLU  35  -3.527  -4.775  -8.860
  260    HG2  GLU  35           HG2      GLU  35  -2.781  -6.880  -9.785
  261    HG3  GLU  35           HG3      GLU  35  -4.395  -7.196 -10.415
  262    H    LYS  36           H        LYS  36  -3.807  -8.576  -7.770
  263    HA   LYS  36           HA       LYS  36  -1.735  -7.953  -5.771
  264    HB2  LYS  36           HB2      LYS  36  -3.214 -10.526  -6.303
  265    HB3  LYS  36           HB3      LYS  36  -1.894 -10.355  -5.153
  266    HG2  LYS  36           HG2      LYS  36  -3.174  -8.840  -3.811
  267    HG3  LYS  36           HG3      LYS  36  -4.459  -8.785  -5.021
  268    HD2  LYS  36           HD2      LYS  36  -3.598 -11.216  -3.470
  269    HD3  LYS  36           HD3      LYS  36  -5.039 -10.249  -3.142
  270    HE2  LYS  36           HE2      LYS  36  -5.761 -10.753  -5.509
  271    HE3  LYS  36           HE3      LYS  36  -4.444 -11.924  -5.573
  272    HZ1  LYS  36           HZ1      LYS  36  -5.460 -13.021  -3.613
  273    HZ2  LYS  36           HZ2      LYS  36  -6.445 -13.048  -4.997
  274    HZ3  LYS  36           HZ3      LYS  36  -6.779 -11.958  -3.744
  275    H    CYS  37           H        CYS  37   0.185  -7.790  -6.666
  276    HA   CYS  37           HA       CYS  37   0.862  -9.236  -9.079
  277    HB2  CYS  37           HB2      CYS  37   2.639  -7.438  -7.430
  278    HB3  CYS  37           HB3      CYS  37   2.815  -7.861  -9.131
  279    HG   CYS  37           HG       CYS  37   1.575  -5.188  -8.012
  280    H    ASP  38           H        ASP  38   2.728 -10.573  -9.246
  281    HA   ASP  38           HA       ASP  38   2.969 -12.459  -7.121
  282    HB2  ASP  38           HB2      ASP  38   4.511 -12.141  -9.702
  283    HB3  ASP  38           HB3      ASP  38   4.737 -13.485  -8.588
  284    H    ASP  39           H        ASP  39   4.636  -9.600  -7.973
  285    HA   ASP  39           HA       ASP  39   7.109 -10.258  -6.681
  286    HB2  ASP  39           HB2      ASP  39   7.610  -7.828  -7.123
  287    HB3  ASP  39           HB3      ASP  39   7.184  -8.779  -8.545
  288    H    GLY  40           H        GLY  40   4.073  -9.175  -5.547
  289    HA2  GLY  40           HA2      GLY  40   3.665  -9.244  -3.197
  290    HA3  GLY  40           HA3      GLY  40   5.341  -8.804  -2.925
  291    H    TRP  41           H        TRP  41   4.778  -6.699  -5.193
  292    HA   TRP  41           HA       TRP  41   3.757  -4.684  -3.331
  293    HB2  TRP  41           HB2      TRP  41   4.714  -4.017  -6.083
  294    HB3  TRP  41           HB3      TRP  41   4.829  -3.073  -4.605
  295    HD1  TRP  41           HD1      TRP  41   7.000  -4.768  -6.881
  296    HE1  TRP  41           HE1      TRP  41   9.210  -5.513  -5.800
  297    HE3  TRP  41           HE3      TRP  41   5.711  -4.299  -1.922
  298    HZ2  TRP  41           HZ2      TRP  41  10.270  -5.835  -3.220
  299    HZ3  TRP  41           HZ3      TRP  41   7.397  -4.846  -0.231
  300    HH2  TRP  41           HH2      TRP  41   9.627  -5.600  -0.862
  301    H    PHE  42           H        PHE  42   1.703  -4.093  -3.444
  302    HA   PHE  42           HA       PHE  42   0.136  -5.409  -5.533
  303    HB2  PHE  42           HB2      PHE  42  -0.680  -4.535  -2.761
  304    HB3  PHE  42           HB3      PHE  42  -1.679  -5.428  -3.895
  305    HD1  PHE  42           HD1      PHE  42  -0.113  -7.561  -4.886
  306    HD2  PHE  42           HD2      PHE  42  -0.051  -5.831  -1.002
  307    HE1  PHE  42           HE1      PHE  42   0.702  -9.683  -3.958
  308    HE2  PHE  42           HE2      PHE  42   0.780  -7.947  -0.068
  309    HZ   PHE  42           HZ       PHE  42   1.158  -9.877  -1.546
  310    H    VAL  43           H        VAL  43  -1.979  -4.408  -6.042
  311    HA   VAL  43           HA       VAL  43  -1.770  -1.471  -6.157
  312    HB   VAL  43           HB       VAL  43  -2.702  -3.482  -8.166
  313   HG11  VAL  43          HG11      VAL  43  -3.671  -0.622  -8.161
  314   HG12  VAL  43          HG12      VAL  43  -4.679  -1.996  -7.707
  315   HG13  VAL  43          HG13      VAL  43  -4.041  -1.873  -9.349
  316   HG21  VAL  43          HG21      VAL  43  -1.549  -1.942  -9.665
  317   HG22  VAL  43          HG22      VAL  43  -0.511  -2.413  -8.312
  318   HG23  VAL  43          HG23      VAL  43  -1.313  -0.843  -8.305
  319    H    GLY  44           H        GLY  44  -3.428  -0.274  -5.374
  320    HA2  GLY  44           HA2      GLY  44  -6.093  -1.185  -5.189
  321    HA3  GLY  44           HA3      GLY  44  -5.326  -1.405  -3.629
  322    H    THR  45           H        THR  45  -6.622   0.113  -2.594
  323    HA   THR  45           HA       THR  45  -6.337   2.894  -3.487
  324    HB   THR  45           HB       THR  45  -8.912   1.498  -2.787
  325    HG1  THR  45           HG1      THR  45  -7.621   2.131  -5.148
  326   HG21  THR  45          HG21      THR  45 -10.001   3.629  -3.401
  327   HG22  THR  45          HG22      THR  45  -8.409   4.373  -3.526
  328   HG23  THR  45          HG23      THR  45  -8.980   3.776  -1.969
  329    H    SER  46           H        SER  46  -6.326   4.414  -1.883
  330    HA   SER  46           HA       SER  46  -5.801   3.576   0.796
  331    HB2  SER  46           HB2      SER  46  -4.732   5.582  -0.124
  332    HB3  SER  46           HB3      SER  46  -6.311   6.337  -0.354
  333    HG   SER  46           HG       SER  46  -4.922   5.804   2.042
  334    H    ARG  47           H        ARG  47  -7.190   3.422   2.491
  335    HA   ARG  47           HA       ARG  47 -10.004   3.500   2.028
  336    HB2  ARG  47           HB2      ARG  47  -8.721   2.059   3.726
  337    HB3  ARG  47           HB3      ARG  47  -8.672   3.493   4.731
  338    HG2  ARG  47           HG2      ARG  47 -11.116   3.550   4.759
  339    HG3  ARG  47           HG3      ARG  47 -11.148   2.085   3.768
  340    HD2  ARG  47           HD2      ARG  47  -9.852   0.921   5.518
  341    HD3  ARG  47           HD3      ARG  47  -9.934   2.368   6.500
  342    HE   ARG  47           HE       ARG  47 -12.488   1.252   5.657
  343   HH11  ARG  47          HH11      ARG  47 -10.075   1.548   8.183
  344   HH12  ARG  47          HH12      ARG  47 -11.107   0.910   9.427
  345   HH21  ARG  47          HH22      ARG  47 -13.848   0.431   7.280
  346   HH22  ARG  47          HH21      ARG  47 -13.262   0.280   8.906
  347    H    ARG  48           H        ARG  48  -7.668   5.714   3.380
  348    HA   ARG  48           HA       ARG  48  -9.564   7.401   4.697
  349    HB2  ARG  48           HB2      ARG  48  -7.355   7.298   5.577
  350    HB3  ARG  48           HB3      ARG  48  -6.641   7.689   4.022
  351    HG2  ARG  48           HG2      ARG  48  -7.599   9.934   4.151
  352    HG3  ARG  48           HG3      ARG  48  -8.275   9.535   5.733
  353    HD2  ARG  48           HD2      ARG  48  -5.352   9.394   5.062
  354    HD3  ARG  48           HD3      ARG  48  -6.121  10.793   5.816
  355    HE   ARG  48           HE       ARG  48  -6.037   8.099   7.031
  356   HH11  ARG  48          HH11      ARG  48  -5.770  11.591   7.253
  357   HH12  ARG  48          HH12      ARG  48  -5.666  11.597   8.989
  358   HH21  ARG  48          HH22      ARG  48  -5.972   8.112   9.307
  359   HH22  ARG  48          HH21      ARG  48  -5.791   9.617  10.165
  360    H    THR  49           H        THR  49  -7.648   7.708   1.721
  361    HA   THR  49           HA       THR  49  -9.162  10.156   1.130
  362    HB   THR  49           HB       THR  49  -7.022  10.915   1.166
  363    HG1  THR  49           HG1      THR  49  -6.157  10.543  -1.176
  364   HG21  THR  49          HG21      THR  49  -5.033   9.642   0.528
  365   HG22  THR  49          HG22      THR  49  -6.061   8.279   0.083
  366   HG23  THR  49          HG23      THR  49  -5.983   8.812   1.762
  367    H    LYS  50           H        LYS  50  -8.797   6.970   0.184
  368    HA   LYS  50           HA       LYS  50  -9.653   5.704  -1.471
  369    HB2  LYS  50           HB2      LYS  50 -11.288   8.134  -2.209
  370    HB3  LYS  50           HB3      LYS  50 -11.609   6.474  -2.681
  371    HG2  LYS  50           HG2      LYS  50 -11.892   7.735   0.025
  372    HG3  LYS  50           HG3      LYS  50 -13.126   6.955  -0.957
  373    HD2  LYS  50           HD2      LYS  50 -10.850   5.647   0.524
  374    HD3  LYS  50           HD3      LYS  50 -12.574   5.494   0.857
  375    HE2  LYS  50           HE2      LYS  50 -11.118   4.488  -1.580
  376    HE3  LYS  50           HE3      LYS  50 -11.722   3.505  -0.253
  377    HZ1  LYS  50           HZ1      LYS  50 -13.209   3.406  -2.138
  378    HZ2  LYS  50           HZ2      LYS  50 -13.386   5.093  -2.137
  379    HZ3  LYS  50           HZ3      LYS  50 -13.978   4.175  -0.837
  380    H    GLN  51           H        GLN  51  -7.228   7.067  -1.978
  381    HA   GLN  51           HA       GLN  51  -7.361   7.699  -4.816
  382    HB2  GLN  51           HB2      GLN  51  -4.767   7.844  -4.433
  383    HB3  GLN  51           HB3      GLN  51  -5.820   9.157  -3.922
  384    HG2  GLN  51           HG2      GLN  51  -5.725   8.401  -1.648
  385    HG3  GLN  51           HG3      GLN  51  -4.822   6.965  -2.123
  386   HE21  GLN  51          HE22      GLN  51  -3.184   8.436  -4.058
  387   HE22  GLN  51          HE21      GLN  51  -2.058   9.367  -3.118
  388    H    PHE  52           H        PHE  52  -6.150   6.535  -6.361
  389    HA   PHE  52           HA       PHE  52  -5.894   3.697  -5.625
  390    HB2  PHE  52           HB2      PHE  52  -7.842   4.011  -6.980
  391    HB3  PHE  52           HB3      PHE  52  -6.961   5.011  -8.123
  392    HD1  PHE  52           HD2      PHE  52  -6.594   1.576  -6.678
  393    HD2  PHE  52           HD1      PHE  52  -6.594   4.048 -10.141
  394    HE1  PHE  52           HE2      PHE  52  -6.193  -0.399  -8.082
  395    HE2  PHE  52           HE1      PHE  52  -6.188   2.075 -11.551
  396    HZ   PHE  52           HZ       PHE  52  -5.986  -0.151 -10.523
  397    H    GLY  53           H        GLY  53  -4.102   2.612  -6.230
  398    HA2  GLY  53           HA2      GLY  53  -2.472   3.126  -8.424
  399    HA3  GLY  53           HA3      GLY  53  -1.777   4.009  -7.071
  400    H    THR  54           H        THR  54   0.063   2.708  -7.183
  401    HA   THR  54           HA       THR  54  -0.309  -0.079  -6.336
  402    HB   THR  54           HB       THR  54   0.966  -0.072  -8.309
  403    HG1  THR  54           HG1      THR  54   3.183  -0.043  -6.622
  404   HG21  THR  54          HG21      THR  54   3.131   1.370  -8.365
  405   HG22  THR  54          HG22      THR  54   2.310   2.327  -7.130
  406   HG23  THR  54          HG23      THR  54   1.575   2.123  -8.725
  407    H    PHE  55           H        PHE  55   0.679  -0.827  -4.515
  408    HA   PHE  55           HA       PHE  55   2.279   1.029  -2.940
  409    HB2  PHE  55           HB2      PHE  55   0.961   0.761  -0.939
  410    HB3  PHE  55           HB3      PHE  55  -0.094   1.330  -2.218
  411    HD1  PHE  55           HD1      PHE  55  -1.482  -0.449  -3.460
  412    HD2  PHE  55           HD2      PHE  55   0.401  -1.127   0.292
  413    HE1  PHE  55           HE1      PHE  55  -2.999  -2.344  -3.045
  414    HE2  PHE  55           HE2      PHE  55  -1.108  -3.022   0.713
  415    HZ   PHE  55           HZ       PHE  55  -2.807  -3.635  -0.955
  416    HA   PRO  56           HA       PRO  56   4.654  -2.644  -2.322
  417    HB2  PRO  56           HB3      PRO  56   5.535  -1.248   0.139
  418    HB3  PRO  56           HB2      PRO  56   6.498  -1.875  -1.203
  419    HG2  PRO  56           HG2      PRO  56   6.107   0.751  -0.885
  420    HG3  PRO  56           HG3      PRO  56   6.168   0.015  -2.496
  421    HD2  PRO  56           HD2      PRO  56   3.795   0.926  -0.918
  422    HD3  PRO  56           HD3      PRO  56   4.099   1.034  -2.664
  423    H    GLY  57           H        GLY  57   3.557  -4.390  -1.637
  424    HA2  GLY  57           HA2      GLY  57   1.760  -4.371   0.586
  425    HA3  GLY  57           HA3      GLY  57   2.253  -5.775  -0.346
  426    H    ASN  58           H        ASN  58   4.668  -3.791   1.044
  427    HA   ASN  58           HA       ASN  58   5.398  -5.942   2.892
  428    HB2  ASN  58           HB2      ASN  58   7.019  -5.150   1.118
  429    HB3  ASN  58           HB3      ASN  58   7.061  -3.596   1.946
  430   HD21  ASN  58          HD22      ASN  58   7.949  -6.949   2.126
  431   HD22  ASN  58          HD21      ASN  58   9.064  -6.793   3.440
  432    H    TYR  59           H        TYR  59   4.125  -2.780   2.743
  433    HA   TYR  59           HA       TYR  59   4.825  -2.243   5.555
  434    HB2  TYR  59           HB2      TYR  59   3.733  -0.345   3.465
  435    HB3  TYR  59           HB3      TYR  59   4.172   0.086   5.111
  436    HD1  TYR  59           HD2      TYR  59   6.657  -0.303   5.770
  437    HD2  TYR  59           HD1      TYR  59   5.259  -0.125   1.762
  438    HE1  TYR  59           HE2      TYR  59   8.933   0.228   5.008
  439    HE2  TYR  59           HE1      TYR  59   7.519   0.414   0.986
  440    HH   TYR  59           HH       TYR  59  10.273   0.077   2.989
  441    H    VAL  60           H        VAL  60   2.653  -4.027   4.484
  442    HA   VAL  60           HA       VAL  60   0.466  -2.824   5.990
  443    HB   VAL  60           HB       VAL  60  -1.200  -3.515   4.252
  444   HG11  VAL  60          HG11      VAL  60   0.787  -1.463   3.284
  445   HG12  VAL  60          HG12      VAL  60  -0.434  -1.167   4.522
  446   HG13  VAL  60          HG13      VAL  60  -0.926  -1.558   2.871
  447   HG21  VAL  60          HG21      VAL  60   1.296  -3.941   2.628
  448   HG22  VAL  60          HG22      VAL  60  -0.306  -3.731   1.916
  449   HG23  VAL  60          HG23      VAL  60   0.010  -5.094   2.985
  450    H    LYS  61           H        LYS  61  -1.171  -4.382   6.591
  451    HA   LYS  61           HA       LYS  61  -0.111  -7.119   6.689
  452    HB2  LYS  61           HB2      LYS  61  -0.681  -7.264   9.039
  453    HB3  LYS  61           HB3      LYS  61   0.431  -5.937   8.755
  454    HG2  LYS  61           HG2      LYS  61  -1.719  -4.489   8.676
  455    HG3  LYS  61           HG3      LYS  61  -2.457  -5.858   9.509
  456    HD2  LYS  61           HD2      LYS  61  -0.305  -4.002  10.438
  457    HD3  LYS  61           HD3      LYS  61  -1.761  -4.538  11.277
  458    HE2  LYS  61           HE2      LYS  61  -0.743  -6.822  11.405
  459    HE3  LYS  61           HE3      LYS  61   0.741  -6.130  10.739
  460    HZ1  LYS  61           HZ1      LYS  61   0.915  -4.694  12.659
  461    HZ2  LYS  61           HZ2      LYS  61   0.790  -6.308  13.166
  462    HZ3  LYS  61           HZ3      LYS  61  -0.551  -5.272  13.282
  463    HA   PRO  62           HA       PRO  62  -3.975  -8.340   5.114
  464    HB2  PRO  62           HB3      PRO  62  -3.710 -10.784   6.746
  465    HB3  PRO  62           HB2      PRO  62  -3.845 -10.605   4.997
  466    HG2  PRO  62           HG2      PRO  62  -1.523 -11.263   6.132
  467    HG3  PRO  62           HG3      PRO  62  -1.588 -10.176   4.732
  468    HD2  PRO  62           HD2      PRO  62  -1.205  -9.517   7.624
  469    HD3  PRO  62           HD3      PRO  62  -0.411  -8.829   6.193
  470    H    LEU  63           H        LEU  63  -5.840  -7.531   5.707
  471    HA   LEU  63           HA       LEU  63  -6.825  -7.946   8.444
  472    HB2  LEU  63           HB2      LEU  63  -7.816  -6.106   6.266
  473    HB3  LEU  63           HB3      LEU  63  -8.475  -6.205   7.884
  474    HG   LEU  63           HG       LEU  63  -5.694  -5.270   7.188
  475   HD11  LEU  63          HD11      LEU  63  -8.099  -3.736   8.156
  476   HD12  LEU  63          HD12      LEU  63  -7.501  -3.755   6.497
  477   HD13  LEU  63          HD13      LEU  63  -6.503  -3.077   7.784
  478   HD21  LEU  63          HD21      LEU  63  -5.806  -6.368   9.373
  479   HD22  LEU  63          HD22      LEU  63  -7.154  -5.327   9.828
  480   HD23  LEU  63          HD23      LEU  63  -5.561  -4.629   9.537
  481    H    TYR  64           H        TYR  64  -9.546  -7.611   7.887
  482    HA   TYR  64           HA       TYR  64 -10.155  -9.981   6.243
  483    HB2  TYR  64           HB2      TYR  64 -11.591  -9.189   8.786
  484    HB3  TYR  64           HB3      TYR  64 -11.847 -10.652   7.837
  485    HD1  TYR  64           HD2      TYR  64 -10.099 -12.418   7.799
  486    HD2  TYR  64           HD1      TYR  64  -9.805  -9.036  10.362
  487    HE1  TYR  64           HE2      TYR  64  -8.378 -13.573   9.119
  488    HE2  TYR  64           HE1      TYR  64  -8.081 -10.181  11.687
  489    HH   TYR  64           HH       TYR  64  -6.610 -13.130  10.633
  490    H    LEU  65           H        LEU  65 -11.139  -6.857   7.427
  491    HA   LEU  65           HA       LEU  65 -12.370  -6.177   4.965
  492    HB2  LEU  65           HB2      LEU  65 -14.633  -5.848   5.631
  493    HB3  LEU  65           HB3      LEU  65 -14.218  -7.503   6.020
  494    HG   LEU  65           HG       LEU  65 -14.190  -5.307   8.086
  495   HD11  LEU  65          HD11      LEU  65 -16.408  -6.087   8.757
  496   HD12  LEU  65          HD12      LEU  65 -16.449  -7.171   7.367
  497   HD13  LEU  65          HD13      LEU  65 -16.422  -5.424   7.124
  498   HD21  LEU  65          HD21      LEU  65 -14.423  -7.184   9.646
  499   HD22  LEU  65          HD22      LEU  65 -12.955  -7.318   8.678
  500   HD23  LEU  65          HD23      LEU  65 -14.359  -8.312   8.291
  Start of MODEL   11
    1    H1   GLN   1           H1       GLN   1 -16.312   0.498  -3.435
    2    H2   GLN   1           H2       GLN   1 -17.800   1.066  -4.024
    3    H3   GLN   1           H3       GLN   1 -17.170  -0.400  -4.592
    4    HA   GLN   1           HA       GLN   1 -18.029   0.152  -1.814
    5    HB2  GLN   1           HB2      GLN   1 -19.918  -1.302  -2.273
    6    HB3  GLN   1           HB3      GLN   1 -19.905   0.034  -3.416
    7    HG2  GLN   1           HG2      GLN   1 -18.875  -1.455  -5.090
    8    HG3  GLN   1           HG3      GLN   1 -19.003  -2.789  -3.945
    9   HE21  GLN   1          HE22      GLN   1 -20.363  -3.988  -5.229
   10   HE22  GLN   1          HE21      GLN   1 -22.006  -3.531  -5.543
   11    H    THR   2           H        THR   2 -15.932  -1.561  -3.796
   12    HA   THR   2           HA       THR   2 -16.079  -4.032  -2.326
   13    HB   THR   2           HB       THR   2 -15.529  -4.175  -4.671
   14    HG1  THR   2           HG1      THR   2 -14.065  -5.711  -4.375
   15   HG21  THR   2          HG21      THR   2 -14.421  -2.016  -4.984
   16   HG22  THR   2          HG22      THR   2 -13.419  -3.336  -5.587
   17   HG23  THR   2          HG23      THR   2 -13.042  -2.579  -4.040
   18    H    SER   3           H        SER   3 -15.681  -3.511  -0.242
   19    HA   SER   3           HA       SER   3 -12.850  -3.164   0.406
   20    HB2  SER   3           HB2      SER   3 -14.146  -0.944   0.583
   21    HB3  SER   3           HB3      SER   3 -15.014  -1.682   1.925
   22    HG   SER   3           HG       SER   3 -12.174  -1.481   1.806
   23    H    GLN   4           H        GLN   4 -13.807  -5.545   0.326
   24    HA   GLN   4           HA       GLN   4 -14.674  -6.272   3.024
   25    HB2  GLN   4           HB2      GLN   4 -16.721  -6.113   1.823
   26    HB3  GLN   4           HB3      GLN   4 -16.056  -6.954   0.433
   27    HG2  GLN   4           HG2      GLN   4 -15.951  -9.013   1.729
   28    HG3  GLN   4           HG3      GLN   4 -16.642  -8.173   3.124
   29   HE21  GLN   4          HE22      GLN   4 -18.443  -9.551   3.143
   30   HE22  GLN   4          HE21      GLN   4 -19.703  -9.425   1.961
   31    H    ASP   5           H        ASP   5 -14.737  -8.435   0.282
   32    HA   ASP   5           HA       ASP   5 -12.696 -10.060   1.603
   33    HB2  ASP   5           HB2      ASP   5 -14.930 -11.034   1.141
   34    HB3  ASP   5           HB3      ASP   5 -14.664 -10.786  -0.581
   35    H    LEU   6           H        LEU   6 -12.580  -7.729  -0.547
   36    HA   LEU   6           HA       LEU   6 -11.102  -8.898  -2.699
   37    HB2  LEU   6           HB2      LEU   6 -12.359  -6.784  -2.902
   38    HB3  LEU   6           HB3      LEU   6 -11.248  -6.026  -1.781
   39    HG   LEU   6           HG       LEU   6  -9.403  -6.453  -3.416
   40   HD11  LEU   6          HD11      LEU   6 -10.014  -6.965  -5.733
   41   HD12  LEU   6          HD12      LEU   6 -11.683  -7.235  -5.229
   42   HD13  LEU   6          HD13      LEU   6 -10.403  -8.296  -4.640
   43   HD21  LEU   6          HD21      LEU   6 -11.734  -4.783  -4.353
   44   HD22  LEU   6          HD22      LEU   6 -10.078  -4.648  -4.947
   45   HD23  LEU   6          HD23      LEU   6 -10.444  -4.275  -3.263
   46    H    PHE   7           H        PHE   7 -10.425  -8.384   0.457
   47    HA   PHE   7           HA       PHE   7  -8.583  -8.614   1.735
   48    HB2  PHE   7           HB2      PHE   7  -7.327  -8.898  -0.913
   49    HB3  PHE   7           HB3      PHE   7  -6.272  -8.278   0.359
   50    HD1  PHE   7           HD2      PHE   7  -5.934  -9.635   2.421
   51    HD2  PHE   7           HD1      PHE   7  -8.002 -11.160  -0.971
   52    HE1  PHE   7           HE2      PHE   7  -5.647 -11.922   3.278
   53    HE2  PHE   7           HE1      PHE   7  -7.720 -13.449  -0.116
   54    HZ   PHE   7           HZ       PHE   7  -6.540 -13.830   2.010
   55    H    SER   8           H        SER   8  -8.515  -6.977   2.989
   56    HA   SER   8           HA       SER   8  -7.434  -4.441   1.971
   57    HB2  SER   8           HB2      SER   8  -9.302  -4.746   4.328
   58    HB3  SER   8           HB3      SER   8  -8.850  -3.260   3.491
   59    HG   SER   8           HG       SER   8 -10.319  -3.629   2.025
   60    H    TYR   9           H        TYR   9  -5.696  -3.645   3.059
   61    HA   TYR   9           HA       TYR   9  -4.866  -5.135   5.463
   62    HB2  TYR   9           HB2      TYR   9  -3.040  -3.839   3.429
   63    HB3  TYR   9           HB3      TYR   9  -2.550  -4.784   4.828
   64    HD1  TYR   9           HD2      TYR   9  -4.434  -7.092   4.589
   65    HD2  TYR   9           HD1      TYR   9  -2.171  -5.017   1.658
   66    HE1  TYR   9           HE2      TYR   9  -4.405  -9.115   3.195
   67    HE2  TYR   9           HE1      TYR   9  -2.133  -7.028   0.244
   68    HH   TYR   9           HH       TYR   9  -2.327  -9.584   0.680
   69    H    GLN  10           H        GLN  10  -3.698  -3.935   7.052
   70    HA   GLN  10           HA       GLN  10  -4.198  -1.037   6.896
   71    HB2  GLN  10           HB2      GLN  10  -5.211  -2.380   8.814
   72    HB3  GLN  10           HB3      GLN  10  -3.566  -2.593   9.403
   73    HG2  GLN  10           HG2      GLN  10  -3.317  -0.146   9.483
   74    HG3  GLN  10           HG3      GLN  10  -4.994   0.019   8.987
   75   HE21  GLN  10          HE22      GLN  10  -5.839  -2.285  10.570
   76   HE22  GLN  10          HE21      GLN  10  -5.865  -1.743  12.207
   77    H    ALA  11           H        ALA  11  -2.516   0.347   7.082
   78    HA   ALA  11           HA       ALA  11   0.056  -0.656   6.415
   79    HB1  ALA  11           HB1      ALA  11   0.715   1.717   6.482
   80    HB2  ALA  11           HB2      ALA  11  -0.874   2.100   7.160
   81    HB3  ALA  11           HB3      ALA  11  -0.745   1.435   5.530
   82    H    LEU  12           H        LEU  12   1.742  -1.061   7.594
   83    HA   LEU  12           HA       LEU  12   1.641  -0.951  10.474
   84    HB2  LEU  12           HB2      LEU  12   3.701  -1.897   8.488
   85    HB3  LEU  12           HB3      LEU  12   3.981  -1.917  10.218
   86    HG   LEU  12           HG       LEU  12   1.494  -3.236   9.428
   87   HD11  LEU  12          HD11      LEU  12   4.133  -4.268   8.427
   88   HD12  LEU  12          HD12      LEU  12   2.693  -3.874   7.484
   89   HD13  LEU  12          HD13      LEU  12   2.679  -5.254   8.585
   90   HD21  LEU  12          HD21      LEU  12   3.894  -4.110  11.034
   91   HD22  LEU  12          HD22      LEU  12   2.337  -4.939  10.958
   92   HD23  LEU  12          HD23      LEU  12   2.449  -3.333  11.679
   93    H    TYR  13           H        TYR  13   3.114   0.830   7.872
   94    HA   TYR  13           HA       TYR  13   4.271   2.715   9.791
   95    HB2  TYR  13           HB2      TYR  13   5.824   1.501   7.484
   96    HB3  TYR  13           HB3      TYR  13   6.397   2.793   8.530
   97    HD1  TYR  13           HD2      TYR  13   6.733   2.262  11.006
   98    HD2  TYR  13           HD1      TYR  13   6.156  -0.744   8.053
   99    HE1  TYR  13           HE2      TYR  13   7.719   0.592  12.520
  100    HE2  TYR  13           HE1      TYR  13   7.141  -2.420   9.553
  101    HH   TYR  13           HH       TYR  13   8.739  -2.431  11.498
  102    H    SER  14           H        SER  14   5.143   4.665   8.573
  103    HA   SER  14           HA       SER  14   3.206   5.404   6.521
  104    HB2  SER  14           HB2      SER  14   5.158   7.126   8.067
  105    HB3  SER  14           HB3      SER  14   3.915   7.711   6.960
  106    HG   SER  14           HG       SER  14   2.803   7.799   8.768
  107    H    TYR  15           H        TYR  15   3.791   5.245   4.456
  108    HA   TYR  15           HA       TYR  15   6.660   5.445   3.782
  109    HB2  TYR  15           HB2      TYR  15   5.838   3.158   3.451
  110    HB3  TYR  15           HB3      TYR  15   4.537   3.759   2.446
  111    HD1  TYR  15           HD2      TYR  15   8.213   3.359   2.616
  112    HD2  TYR  15           HD1      TYR  15   4.845   4.152   0.151
  113    HE1  TYR  15           HE2      TYR  15   9.624   3.098   0.618
  114    HE2  TYR  15           HE1      TYR  15   6.239   3.886  -1.852
  115    HH   TYR  15           HH       TYR  15   9.370   2.555  -1.755
  116    H    ILE  16           H        ILE  16   7.244   6.818   2.273
  117    HA   ILE  16           HA       ILE  16   5.165   8.366   0.904
  118    HB   ILE  16           HB       ILE  16   8.093   8.958   1.342
  119   HG12  ILE  16          HG12      ILE  16   6.787   9.214   3.374
  120   HG13  ILE  16          HG13      ILE  16   7.242  10.800   2.764
  121   HG21  ILE  16          HG21      ILE  16   5.968  10.591  -0.044
  122   HG22  ILE  16          HG22      ILE  16   7.396   9.865  -0.787
  123   HG23  ILE  16          HG23      ILE  16   7.578  11.178   0.376
  124   HD11  ILE  16          HD11      ILE  16   5.018  11.124   1.870
  125   HD12  ILE  16          HD12      ILE  16   4.942  10.735   3.588
  126   HD13  ILE  16          HD13      ILE  16   4.553   9.504   2.385
  127    HA   PRO  17           HA       PRO  17   6.077   5.681  -2.524
  128    HB2  PRO  17           HB3      PRO  17   4.459   7.683  -3.988
  129    HB3  PRO  17           HB2      PRO  17   4.227   5.939  -3.839
  130    HG2  PRO  17           HG2      PRO  17   2.643   7.645  -2.543
  131    HG3  PRO  17           HG3      PRO  17   3.162   6.125  -1.786
  132    HD2  PRO  17           HD2      PRO  17   4.181   8.906  -1.353
  133    HD3  PRO  17           HD3      PRO  17   3.874   7.620  -0.169
  134    H    GLN  18           H        GLN  18   7.416   5.662  -4.244
  135    HA   GLN  18           HA       GLN  18   9.060   8.006  -4.684
  136    HB2  GLN  18           HB2      GLN  18   9.229   5.241  -5.901
  137    HB3  GLN  18           HB3      GLN  18  10.450   6.500  -6.027
  138    HG2  GLN  18           HG2      GLN  18   9.561   5.252  -3.439
  139    HG3  GLN  18           HG3      GLN  18  10.973   4.739  -4.362
  140   HE21  GLN  18          HE22      GLN  18  11.683   7.433  -5.172
  141   HE22  GLN  18          HE21      GLN  18  12.346   8.206  -3.769
  142    H    ASN  19           H        ASN  19   6.273   6.726  -5.870
  143    HA   ASN  19           HA       ASN  19   6.483   8.247  -8.373
  144    HB2  ASN  19           HB2      ASN  19   5.326   5.482  -8.006
  145    HB3  ASN  19           HB3      ASN  19   5.121   6.449  -9.463
  146   HD21  ASN  19          HD22      ASN  19   7.293   4.566  -7.532
  147   HD22  ASN  19          HD21      ASN  19   8.554   4.434  -8.716
  148    H    ASP  20           H        ASP  20   4.652   9.351  -8.918
  149    HA   ASP  20           HA       ASP  20   2.687   9.828  -6.909
  150    HB2  ASP  20           HB2      ASP  20   3.382  11.568  -8.494
  151    HB3  ASP  20           HB3      ASP  20   2.751  10.617  -9.834
  152    H    ASP  21           H        ASP  21   3.063   7.489  -9.301
  153    HA   ASP  21           HA       ASP  21   0.282   6.808  -9.642
  154    HB2  ASP  21           HB2      ASP  21   1.826   6.335 -11.444
  155    HB3  ASP  21           HB3      ASP  21   2.854   5.390 -10.375
  156    H    GLU  22           H        GLU  22   2.551   6.367  -7.213
  157    HA   GLU  22           HA       GLU  22   1.449   3.816  -6.317
  158    HB2  GLU  22           HB2      GLU  22   3.793   5.461  -5.384
  159    HB3  GLU  22           HB3      GLU  22   3.231   4.033  -4.525
  160    HG2  GLU  22           HG2      GLU  22   3.639   2.673  -6.496
  161    HG3  GLU  22           HG3      GLU  22   4.175   4.091  -7.383
  162    H    LEU  23           H        LEU  23   1.030   3.621  -3.944
  163    HA   LEU  23           HA       LEU  23  -0.876   5.742  -3.276
  164    HB2  LEU  23           HB2      LEU  23  -1.401   3.187  -3.538
  165    HB3  LEU  23           HB3      LEU  23  -0.741   3.066  -1.921
  166    HG   LEU  23           HG       LEU  23  -3.272   3.248  -2.106
  167   HD11  LEU  23          HD11      LEU  23  -3.489   4.694  -0.174
  168   HD12  LEU  23          HD12      LEU  23  -1.858   5.315  -0.443
  169   HD13  LEU  23          HD13      LEU  23  -2.097   3.622  -0.009
  170   HD21  LEU  23          HD21      LEU  23  -3.347   4.936  -3.844
  171   HD22  LEU  23          HD22      LEU  23  -2.562   6.095  -2.772
  172   HD23  LEU  23          HD23      LEU  23  -4.180   5.501  -2.393
  173    H    GLU  24           H        GLU  24  -0.809   6.861  -1.397
  174    HA   GLU  24           HA       GLU  24   1.659   6.858   0.059
  175    HB2  GLU  24           HB2      GLU  24  -0.700   8.570  -0.137
  176    HB3  GLU  24           HB3      GLU  24  -0.079   8.438   1.505
  177    HG2  GLU  24           HG2      GLU  24   2.158   9.050   0.649
  178    HG3  GLU  24           HG3      GLU  24   1.428   9.321  -0.938
  179    H    LEU  25           H        LEU  25   2.112   5.528   1.622
  180    HA   LEU  25           HA       LEU  25  -0.062   4.224   3.084
  181    HB2  LEU  25           HB2      LEU  25   2.892   3.651   3.197
  182    HB3  LEU  25           HB3      LEU  25   1.611   2.672   3.877
  183    HG   LEU  25           HG       LEU  25   1.964   3.174   0.923
  184   HD11  LEU  25          HD11      LEU  25   2.740   0.796   2.600
  185   HD12  LEU  25          HD12      LEU  25   3.833   1.889   1.749
  186   HD13  LEU  25          HD13      LEU  25   2.744   0.843   0.836
  187   HD21  LEU  25          HD21      LEU  25   0.203   1.243   2.434
  188   HD22  LEU  25          HD22      LEU  25   0.365   1.340   0.678
  189   HD23  LEU  25          HD23      LEU  25  -0.335   2.689   1.575
  190    H    ARG  26           H        ARG  26  -0.497   4.732   5.144
  191    HA   ARG  26           HA       ARG  26   1.477   6.319   6.628
  192    HB2  ARG  26           HB2      ARG  26  -1.493   6.855   6.672
  193    HB3  ARG  26           HB3      ARG  26  -0.241   7.801   7.459
  194    HG2  ARG  26           HG2      ARG  26   0.669   8.373   5.235
  195    HG3  ARG  26           HG3      ARG  26  -0.693   7.528   4.501
  196    HD2  ARG  26           HD2      ARG  26  -2.250   9.050   5.520
  197    HD3  ARG  26           HD3      ARG  26  -0.944   9.835   6.414
  198    HE   ARG  26           HE       ARG  26  -0.178  10.104   3.830
  199   HH11  ARG  26          HH11      ARG  26  -3.117  10.925   5.558
  200   HH12  ARG  26          HH12      ARG  26  -3.548  12.203   4.459
  201   HH21  ARG  26          HH22      ARG  26  -0.738  11.779   2.396
  202   HH22  ARG  26          HH21      ARG  26  -2.181  12.711   2.683
  203    H    ASP  27           H        ASP  27   1.616   5.866   8.749
  204    HA   ASP  27           HA       ASP  27   1.124   3.326   9.649
  205    HB2  ASP  27           HB2      ASP  27   2.707   4.673  10.796
  206    HB3  ASP  27           HB3      ASP  27   1.506   5.892  11.186
  207    H    GLY  28           H        GLY  28  -0.794   2.358   9.649
  208    HA2  GLY  28           HA2      GLY  28  -2.662   1.792  10.968
  209    HA3  GLY  28           HA3      GLY  28  -2.836   3.475  11.431
  210    H    ASP  29           H        ASP  29  -2.379   3.621   8.185
  211    HA   ASP  29           HA       ASP  29  -5.231   3.920   7.738
  212    HB2  ASP  29           HB2      ASP  29  -3.438   5.492   6.812
  213    HB3  ASP  29           HB3      ASP  29  -3.082   4.221   5.642
  214    H    ILE  30           H        ILE  30  -6.487   2.745   6.268
  215    HA   ILE  30           HA       ILE  30  -5.429   0.064   5.741
  216    HB   ILE  30           HB       ILE  30  -8.243   1.117   5.947
  217   HG12  ILE  30          HG12      ILE  30  -8.286  -0.941   7.545
  218   HG13  ILE  30          HG13      ILE  30  -6.538  -0.791   7.483
  219   HG21  ILE  30          HG21      ILE  30  -7.397  -1.592   4.950
  220   HG22  ILE  30          HG22      ILE  30  -8.265  -0.353   4.049
  221   HG23  ILE  30          HG23      ILE  30  -9.042  -1.155   5.411
  222   HD11  ILE  30          HD11      ILE  30  -7.323   0.361   9.408
  223   HD12  ILE  30          HD12      ILE  30  -8.511   1.252   8.455
  224   HD13  ILE  30          HD13      ILE  30  -6.794   1.558   8.229
  225    H    VAL  31           H        VAL  31  -5.343  -0.817   3.757
  226    HA   VAL  31           HA       VAL  31  -6.325   0.770   1.481
  227    HB   VAL  31           HB       VAL  31  -3.637  -0.576   1.736
  228   HG11  VAL  31          HG11      VAL  31  -3.284  -0.098  -0.650
  229   HG12  VAL  31          HG12      VAL  31  -4.968   0.410  -0.790
  230   HG13  VAL  31          HG13      VAL  31  -4.580  -1.266  -0.398
  231   HG21  VAL  31          HG21      VAL  31  -2.779   1.592   1.083
  232   HG22  VAL  31          HG22      VAL  31  -3.841   1.765   2.480
  233   HG23  VAL  31          HG23      VAL  31  -4.421   2.199   0.870
  234    H    ASP  32           H        ASP  32  -7.673  -0.324   0.229
  235    HA   ASP  32           HA       ASP  32  -7.940  -3.209   0.491
  236    HB2  ASP  32           HB2      ASP  32  -9.397  -1.409  -1.452
  237    HB3  ASP  32           HB3      ASP  32  -9.888  -3.004  -0.902
  238    H    VAL  33           H        VAL  33  -6.684  -4.527  -0.703
  239    HA   VAL  33           HA       VAL  33  -5.382  -3.450  -3.075
  240    HB   VAL  33           HB       VAL  33  -3.915  -4.686  -1.658
  241   HG11  VAL  33          HG11      VAL  33  -6.102  -6.662  -1.528
  242   HG12  VAL  33          HG12      VAL  33  -4.998  -6.084  -0.269
  243   HG13  VAL  33          HG13      VAL  33  -4.445  -7.261  -1.461
  244   HG21  VAL  33          HG21      VAL  33  -4.618  -6.446  -3.989
  245   HG22  VAL  33          HG22      VAL  33  -3.070  -6.398  -3.142
  246   HG23  VAL  33          HG23      VAL  33  -3.616  -4.996  -4.069
  247    H    MET  34           H        MET  34  -6.152  -3.703  -5.051
  248    HA   MET  34           HA       MET  34  -8.337  -5.607  -5.457
  249    HB2  MET  34           HB2      MET  34  -9.061  -4.325  -7.283
  250    HB3  MET  34           HB3      MET  34  -8.566  -3.145  -6.080
  251    HG2  MET  34           HG2      MET  34  -6.641  -2.572  -7.250
  252    HG3  MET  34           HG3      MET  34  -6.672  -4.053  -8.200
  253    HE1  MET  34           HE1      MET  34  -6.073  -1.651  -9.978
  254    HE2  MET  34           HE2      MET  34  -7.243  -1.990 -11.252
  255    HE3  MET  34           HE3      MET  34  -6.405  -3.321 -10.444
  256    H    GLU  35           H        GLU  35  -5.186  -4.682  -6.752
  257    HA   GLU  35           HA       GLU  35  -5.225  -7.133  -8.379
  258    HB2  GLU  35           HB2      GLU  35  -5.260  -5.005  -9.681
  259    HB3  GLU  35           HB3      GLU  35  -3.689  -4.616  -9.000
  260    HG2  GLU  35           HG2      GLU  35  -2.770  -6.638 -10.006
  261    HG3  GLU  35           HG3      GLU  35  -4.345  -7.014 -10.693
  262    H    LYS  36           H        LYS  36  -3.636  -8.493  -8.137
  263    HA   LYS  36           HA       LYS  36  -1.635  -7.799  -6.091
  264    HB2  LYS  36           HB2      LYS  36  -3.061 -10.436  -6.476
  265    HB3  LYS  36           HB3      LYS  36  -1.835 -10.099  -5.256
  266    HG2  LYS  36           HG2      LYS  36  -3.268  -8.436  -4.227
  267    HG3  LYS  36           HG3      LYS  36  -4.477  -8.667  -5.487
  268    HD2  LYS  36           HD2      LYS  36  -4.832 -10.953  -4.758
  269    HD3  LYS  36           HD3      LYS  36  -3.568 -10.774  -3.539
  270    HE2  LYS  36           HE2      LYS  36  -5.767 -10.539  -2.527
  271    HE3  LYS  36           HE3      LYS  36  -4.883  -9.018  -2.443
  272    HZ1  LYS  36           HZ1      LYS  36  -7.012  -9.690  -4.411
  273    HZ2  LYS  36           HZ2      LYS  36  -6.159  -8.231  -4.354
  274    HZ3  LYS  36           HZ3      LYS  36  -7.182  -8.654  -3.077
  275    H    CYS  37           H        CYS  37   0.264  -7.648  -6.992
  276    HA   CYS  37           HA       CYS  37   0.883  -8.919  -9.488
  277    HB2  CYS  37           HB2      CYS  37   2.741  -7.362  -7.686
  278    HB3  CYS  37           HB3      CYS  37   2.916  -7.651  -9.419
  279    HG   CYS  37           HG       CYS  37   1.724  -5.038  -8.067
  280    H    ASP  38           H        ASP  38   2.801 -10.158  -9.841
  281    HA   ASP  38           HA       ASP  38   2.887 -12.411  -8.095
  282    HB2  ASP  38           HB2      ASP  38   4.308 -13.412  -9.769
  283    HB3  ASP  38           HB3      ASP  38   3.024 -12.530 -10.592
  284    H    ASP  39           H        ASP  39   4.658  -9.508  -8.241
  285    HA   ASP  39           HA       ASP  39   7.067 -10.723  -7.140
  286    HB2  ASP  39           HB2      ASP  39   7.121  -8.954  -8.962
  287    HB3  ASP  39           HB3      ASP  39   6.664  -7.793  -7.719
  288    H    GLY  40           H        GLY  40   4.202  -9.302  -5.968
  289    HA2  GLY  40           HA2      GLY  40   3.853  -9.767  -3.603
  290    HA3  GLY  40           HA3      GLY  40   5.512  -9.270  -3.314
  291    H    TRP  41           H        TRP  41   4.933  -6.972  -5.278
  292    HA   TRP  41           HA       TRP  41   3.777  -5.185  -3.286
  293    HB2  TRP  41           HB2      TRP  41   4.641  -4.276  -6.011
  294    HB3  TRP  41           HB3      TRP  41   4.725  -3.420  -4.473
  295    HD1  TRP  41           HD1      TRP  41   6.866  -5.118  -6.875
  296    HE1  TRP  41           HE1      TRP  41   9.158  -5.707  -5.873
  297    HE3  TRP  41           HE3      TRP  41   5.815  -4.383  -1.902
  298    HZ2  TRP  41           HZ2      TRP  41  10.361  -5.841  -3.335
  299    HZ3  TRP  41           HZ3      TRP  41   7.603  -4.770  -0.266
  300    HH2  TRP  41           HH2      TRP  41   9.827  -5.485  -0.967
  301    H    PHE  42           H        PHE  42   1.775  -4.154  -3.571
  302    HA   PHE  42           HA       PHE  42   0.142  -5.543  -5.582
  303    HB2  PHE  42           HB2      PHE  42  -0.559  -4.797  -2.745
  304    HB3  PHE  42           HB3      PHE  42  -1.657  -5.538  -3.897
  305    HD1  PHE  42           HD1      PHE  42   0.095  -7.576  -5.147
  306    HD2  PHE  42           HD2      PHE  42  -0.301  -6.374  -1.079
  307    HE1  PHE  42           HE1      PHE  42   0.826  -9.806  -4.418
  308    HE2  PHE  42           HE2      PHE  42   0.445  -8.601  -0.350
  309    HZ   PHE  42           HZ       PHE  42   1.010 -10.319  -2.018
  310    H    VAL  43           H        VAL  43  -1.979  -4.506  -6.016
  311    HA   VAL  43           HA       VAL  43  -1.724  -1.575  -6.090
  312    HB   VAL  43           HB       VAL  43  -2.866  -3.545  -8.024
  313   HG11  VAL  43          HG11      VAL  43  -3.806  -0.676  -7.873
  314   HG12  VAL  43          HG12      VAL  43  -4.789  -2.070  -7.430
  315   HG13  VAL  43          HG13      VAL  43  -4.245  -1.869  -9.097
  316   HG21  VAL  43          HG21      VAL  43  -1.789  -2.048  -9.601
  317   HG22  VAL  43          HG22      VAL  43  -0.666  -2.503  -8.312
  318   HG23  VAL  43          HG23      VAL  43  -1.453  -0.923  -8.286
  319    H    GLY  44           H        GLY  44  -3.233  -0.354  -5.134
  320    HA2  GLY  44           HA2      GLY  44  -5.711  -1.559  -4.197
  321    HA3  GLY  44           HA3      GLY  44  -4.540  -1.176  -2.948
  322    H    THR  45           H        THR  45  -6.639   0.053  -2.424
  323    HA   THR  45           HA       THR  45  -6.253   2.813  -3.344
  324    HB   THR  45           HB       THR  45  -8.886   1.422  -2.847
  325    HG1  THR  45           HG1      THR  45  -7.410   2.027  -5.097
  326   HG21  THR  45          HG21      THR  45  -9.855   3.619  -3.642
  327   HG22  THR  45          HG22      THR  45  -8.255   4.315  -3.384
  328   HG23  THR  45          HG23      THR  45  -9.148   3.631  -2.026
  329    H    SER  46           H        SER  46  -6.369   4.335  -1.752
  330    HA   SER  46           HA       SER  46  -5.978   3.419   0.930
  331    HB2  SER  46           HB2      SER  46  -4.749   5.363   0.138
  332    HB3  SER  46           HB3      SER  46  -6.259   6.206  -0.210
  333    HG   SER  46           HG       SER  46  -5.302   5.415   2.365
  334    H    ARG  47           H        ARG  47  -7.420   3.275   2.520
  335    HA   ARG  47           HA       ARG  47 -10.198   3.415   1.932
  336    HB2  ARG  47           HB2      ARG  47  -9.111   1.820   3.515
  337    HB3  ARG  47           HB3      ARG  47  -8.835   3.160   4.615
  338    HG2  ARG  47           HG2      ARG  47 -11.362   3.503   4.550
  339    HG3  ARG  47           HG3      ARG  47 -11.427   1.897   3.815
  340    HD2  ARG  47           HD2      ARG  47 -10.151   1.015   5.760
  341    HD3  ARG  47           HD3      ARG  47 -10.234   2.614   6.482
  342    HE   ARG  47           HE       ARG  47 -12.763   1.344   5.760
  343   HH11  ARG  47          HH11      ARG  47 -10.454   2.173   8.261
  344   HH12  ARG  47          HH12      ARG  47 -11.592   2.003   9.563
  345   HH21  ARG  47          HH22      ARG  47 -14.267   1.110   7.461
  346   HH22  ARG  47          HH21      ARG  47 -13.769   1.384   9.107
  347    H    ARG  48           H        ARG  48  -7.921   5.624   3.370
  348    HA   ARG  48           HA       ARG  48 -10.008   7.235   4.591
  349    HB2  ARG  48           HB2      ARG  48  -7.624   6.746   5.493
  350    HB3  ARG  48           HB3      ARG  48  -7.126   8.028   4.399
  351    HG2  ARG  48           HG2      ARG  48  -8.768   9.524   5.522
  352    HG3  ARG  48           HG3      ARG  48  -9.023   8.241   6.710
  353    HD2  ARG  48           HD2      ARG  48  -6.462   9.665   6.079
  354    HD3  ARG  48           HD3      ARG  48  -7.390   9.762   7.579
  355    HE   ARG  48           HE       ARG  48  -6.261   7.178   6.723
  356   HH11  ARG  48          HH11      ARG  48  -6.380   9.827   9.024
  357   HH12  ARG  48          HH12      ARG  48  -5.337   9.041  10.172
  358   HH21  ARG  48          HH22      ARG  48  -4.911   6.148   8.227
  359   HH22  ARG  48          HH21      ARG  48  -4.504   6.933   9.725
  360    H    THR  49           H        THR  49  -7.502   7.687   2.091
  361    HA   THR  49           HA       THR  49  -8.806  10.203   1.359
  362    HB   THR  49           HB       THR  49  -6.597  10.748   1.673
  363    HG1  THR  49           HG1      THR  49  -7.055  10.169  -1.032
  364   HG21  THR  49          HG21      THR  49  -4.680   9.382   1.038
  365   HG22  THR  49          HG22      THR  49  -5.771   8.170   0.365
  366   HG23  THR  49          HG23      THR  49  -5.779   8.498   2.098
  367    H    LYS  50           H        LYS  50  -8.666   7.023   0.360
  368    HA   LYS  50           HA       LYS  50  -9.626   5.918  -1.357
  369    HB2  LYS  50           HB2      LYS  50 -10.963   8.545  -1.969
  370    HB3  LYS  50           HB3      LYS  50 -11.465   6.967  -2.544
  371    HG2  LYS  50           HG2      LYS  50 -11.612   8.066   0.242
  372    HG3  LYS  50           HG3      LYS  50 -12.927   7.526  -0.794
  373    HD2  LYS  50           HD2      LYS  50 -10.859   5.835   0.592
  374    HD3  LYS  50           HD3      LYS  50 -12.595   5.874   0.890
  375    HE2  LYS  50           HE2      LYS  50 -11.190   4.857  -1.562
  376    HE3  LYS  50           HE3      LYS  50 -12.024   3.891  -0.350
  377    HZ1  LYS  50           HZ1      LYS  50 -13.267   5.812  -2.251
  378    HZ2  LYS  50           HZ2      LYS  50 -14.103   5.039  -0.994
  379    HZ3  LYS  50           HZ3      LYS  50 -13.425   4.127  -2.252
  380    H    GLN  51           H        GLN  51  -7.066   7.033  -1.844
  381    HA   GLN  51           HA       GLN  51  -7.193   7.776  -4.661
  382    HB2  GLN  51           HB2      GLN  51  -4.563   7.774  -4.217
  383    HB3  GLN  51           HB3      GLN  51  -5.576   9.157  -3.845
  384    HG2  GLN  51           HG2      GLN  51  -5.655   8.505  -1.516
  385    HG3  GLN  51           HG3      GLN  51  -4.717   7.057  -1.872
  386   HE21  GLN  51          HE22      GLN  51  -4.632  10.496  -1.460
  387   HE22  GLN  51          HE21      GLN  51  -2.910  10.661  -1.460
  388    H    PHE  52           H        PHE  52  -6.062   6.588  -6.250
  389    HA   PHE  52           HA       PHE  52  -5.856   3.737  -5.531
  390    HB2  PHE  52           HB2      PHE  52  -7.786   4.014  -6.883
  391    HB3  PHE  52           HB3      PHE  52  -6.948   5.090  -7.992
  392    HD1  PHE  52           HD2      PHE  52  -6.697   1.586  -6.714
  393    HD2  PHE  52           HD1      PHE  52  -6.298   4.251 -10.008
  394    HE1  PHE  52           HE2      PHE  52  -6.191  -0.309  -8.183
  395    HE2  PHE  52           HE1      PHE  52  -5.787   2.354 -11.483
  396    HZ   PHE  52           HZ       PHE  52  -5.733   0.070 -10.571
  397    H    GLY  53           H        GLY  53  -4.142   2.578  -6.213
  398    HA2  GLY  53           HA2      GLY  53  -2.528   3.044  -8.397
  399    HA3  GLY  53           HA3      GLY  53  -1.785   3.929  -7.070
  400    H    THR  54           H        THR  54   0.008   2.592  -7.226
  401    HA   THR  54           HA       THR  54  -0.378  -0.183  -6.342
  402    HB   THR  54           HB       THR  54   0.844  -0.161  -8.359
  403    HG1  THR  54           HG1      THR  54   3.154  -0.258  -6.892
  404   HG21  THR  54          HG21      THR  54   3.045   1.229  -8.424
  405   HG22  THR  54          HG22      THR  54   2.248   2.197  -7.181
  406   HG23  THR  54          HG23      THR  54   1.501   2.006  -8.770
  407    H    PHE  55           H        PHE  55   0.755  -0.960  -4.551
  408    HA   PHE  55           HA       PHE  55   2.374   0.930  -3.048
  409    HB2  PHE  55           HB2      PHE  55   1.115   0.747  -1.015
  410    HB3  PHE  55           HB3      PHE  55   0.001   1.228  -2.278
  411    HD1  PHE  55           HD1      PHE  55  -1.386  -0.649  -3.384
  412    HD2  PHE  55           HD2      PHE  55   0.650  -1.082   0.328
  413    HE1  PHE  55           HE1      PHE  55  -2.843  -2.549  -2.808
  414    HE2  PHE  55           HE2      PHE  55  -0.802  -2.981   0.910
  415    HZ   PHE  55           HZ       PHE  55  -2.552  -3.717  -0.660
  416    HA   PRO  56           HA       PRO  56   4.592  -2.811  -2.124
  417    HB2  PRO  56           HB3      PRO  56   5.685  -1.305   0.146
  418    HB3  PRO  56           HB2      PRO  56   6.522  -1.993  -1.249
  419    HG2  PRO  56           HG2      PRO  56   6.195   0.660  -0.941
  420    HG3  PRO  56           HG3      PRO  56   6.207  -0.111  -2.535
  421    HD2  PRO  56           HD2      PRO  56   3.881   0.849  -0.907
  422    HD3  PRO  56           HD3      PRO  56   4.152   0.951  -2.660
  423    H    GLY  57           H        GLY  57   3.325  -4.357  -1.231
  424    HA2  GLY  57           HA2      GLY  57   1.704  -3.923   1.081
  425    HA3  GLY  57           HA3      GLY  57   1.996  -5.478   0.310
  426    H    ASN  58           H        ASN  58   4.848  -3.915   0.998
  427    HA   ASN  58           HA       ASN  58   5.609  -5.761   3.039
  428    HB2  ASN  58           HB2      ASN  58   7.089  -4.811   1.202
  429    HB3  ASN  58           HB3      ASN  58   7.084  -3.294   2.097
  430   HD21  ASN  58          HD22      ASN  58   8.289  -3.098   3.948
  431   HD22  ASN  58          HD21      ASN  58   9.425  -4.293   4.468
  432    H    TYR  59           H        TYR  59   4.065  -2.730   3.003
  433    HA   TYR  59           HA       TYR  59   4.798  -2.225   5.819
  434    HB2  TYR  59           HB2      TYR  59   3.801  -0.268   3.741
  435    HB3  TYR  59           HB3      TYR  59   4.121   0.122   5.424
  436    HD1  TYR  59           HD2      TYR  59   6.513  -0.105   6.263
  437    HD2  TYR  59           HD1      TYR  59   5.486  -0.172   2.139
  438    HE1  TYR  59           HE2      TYR  59   8.834   0.457   5.682
  439    HE2  TYR  59           HE1      TYR  59   7.794   0.398   1.545
  440    HH   TYR  59           HH       TYR  59  10.353   0.237   3.795
  441    H    VAL  60           H        VAL  60   2.639  -4.008   4.783
  442    HA   VAL  60           HA       VAL  60   0.458  -2.751   6.250
  443    HB   VAL  60           HB       VAL  60  -1.230  -3.504   4.566
  444   HG11  VAL  60          HG11      VAL  60   0.756  -1.507   3.481
  445   HG12  VAL  60          HG12      VAL  60  -0.462  -1.149   4.708
  446   HG13  VAL  60          HG13      VAL  60  -0.958  -1.620   3.079
  447   HG21  VAL  60          HG21      VAL  60   1.221  -3.993   2.893
  448   HG22  VAL  60          HG22      VAL  60  -0.415  -3.863   2.243
  449   HG23  VAL  60          HG23      VAL  60  -0.018  -5.155   3.370
  450    H    LYS  61           H        LYS  61  -1.167  -4.249   6.939
  451    HA   LYS  61           HA       LYS  61  -0.200  -7.026   7.097
  452    HB2  LYS  61           HB2      LYS  61  -1.439  -6.800   9.464
  453    HB3  LYS  61           HB3      LYS  61   0.273  -6.462   9.249
  454    HG2  LYS  61           HG2      LYS  61  -0.070  -4.148   9.260
  455    HG3  LYS  61           HG3      LYS  61  -1.805  -4.318   9.012
  456    HD2  LYS  61           HD2      LYS  61  -1.128  -3.649  11.310
  457    HD3  LYS  61           HD3      LYS  61  -2.127  -5.097  11.242
  458    HE2  LYS  61           HE2      LYS  61   0.872  -5.233  11.365
  459    HE3  LYS  61           HE3      LYS  61  -0.097  -5.067  12.825
  460    HZ1  LYS  61           HZ1      LYS  61   0.243  -7.359  11.063
  461    HZ2  LYS  61           HZ2      LYS  61  -1.316  -7.128  11.698
  462    HZ3  LYS  61           HZ3      LYS  61   0.010  -7.302  12.741
  463    HA   PRO  62           HA       PRO  62  -4.126  -8.208   5.579
  464    HB2  PRO  62           HB3      PRO  62  -3.895 -10.590   7.303
  465    HB3  PRO  62           HB2      PRO  62  -4.044 -10.484   5.549
  466    HG2  PRO  62           HG2      PRO  62  -1.731 -11.154   6.714
  467    HG3  PRO  62           HG3      PRO  62  -1.774 -10.157   5.248
  468    HD2  PRO  62           HD2      PRO  62  -1.336  -9.342   8.085
  469    HD3  PRO  62           HD3      PRO  62  -0.549  -8.750   6.607
  470    H    LEU  63           H        LEU  63  -6.116  -7.683   6.124
  471    HA   LEU  63           HA       LEU  63  -6.931  -7.897   8.945
  472    HB2  LEU  63           HB2      LEU  63  -7.986  -5.975   6.870
  473    HB3  LEU  63           HB3      LEU  63  -8.462  -6.050   8.555
  474    HG   LEU  63           HG       LEU  63  -5.741  -5.253   7.532
  475   HD11  LEU  63          HD11      LEU  63  -7.855  -3.578   8.859
  476   HD12  LEU  63          HD12      LEU  63  -7.653  -3.711   7.114
  477   HD13  LEU  63          HD13      LEU  63  -6.356  -3.036   8.098
  478   HD21  LEU  63          HD21      LEU  63  -6.858  -5.263  10.334
  479   HD22  LEU  63          HD22      LEU  63  -5.289  -4.623   9.846
  480   HD23  LEU  63          HD23      LEU  63  -5.616  -6.350   9.711
  481    H    TYR  64           H        TYR  64  -9.556  -7.597   8.786
  482    HA   TYR  64           HA       TYR  64 -11.383  -8.912   8.712
  483    HB2  TYR  64           HB2      TYR  64 -10.795  -8.820   5.764
  484    HB3  TYR  64           HB3      TYR  64 -12.354  -9.089   6.524
  485    HD1  TYR  64           HD1      TYR  64 -12.813  -7.138   8.430
  486    HD2  TYR  64           HD2      TYR  64 -10.584  -6.730   4.833
  487    HE1  TYR  64           HE1      TYR  64 -13.256  -4.719   8.439
  488    HE2  TYR  64           HE2      TYR  64 -11.013  -4.309   4.836
  489    HH   TYR  64           HH       TYR  64 -12.304  -2.654   5.750
  490    H    LEU  65           H        LEU  65 -10.105 -10.467   5.854
  491    HA   LEU  65           HA       LEU  65 -10.759 -13.042   6.936
  492    HB2  LEU  65           HB2      LEU  65 -11.165 -12.476   4.580
  493    HB3  LEU  65           HB3      LEU  65  -9.440 -12.283   4.327
  494    HG   LEU  65           HG       LEU  65  -9.131 -14.689   4.875
  495   HD11  LEU  65          HD11      LEU  65 -11.124 -15.005   6.248
  496   HD12  LEU  65          HD12      LEU  65 -11.073 -16.161   4.918
  497   HD13  LEU  65          HD13      LEU  65 -12.143 -14.763   4.830
  498   HD21  LEU  65          HD21      LEU  65 -10.044 -15.538   2.766
  499   HD22  LEU  65          HD22      LEU  65  -9.275 -13.964   2.564
  500   HD23  LEU  65          HD23      LEU  65 -11.033 -14.086   2.616
  Start of MODEL   12
    1    H1   GLN   1           H1       GLN   1 -23.006  -3.250  -3.911
    2    H2   GLN   1           H2       GLN   1 -24.570  -3.365  -3.269
    3    H3   GLN   1           H3       GLN   1 -23.855  -4.711  -4.006
    4    HA   GLN   1           HA       GLN   1 -22.859  -3.382  -1.561
    5    HB2  GLN   1           HB2      GLN   1 -24.622  -5.774  -1.942
    6    HB3  GLN   1           HB3      GLN   1 -23.588  -5.635  -0.525
    7    HG2  GLN   1           HG2      GLN   1 -25.825  -3.808  -1.361
    8    HG3  GLN   1           HG3      GLN   1 -25.736  -4.830   0.074
    9   HE21  GLN   1          HE22      GLN   1 -24.283  -4.246   1.749
   10   HE22  GLN   1          HE21      GLN   1 -23.755  -2.602   1.924
   11    H    THR   2           H        THR   2 -22.442  -5.868  -4.023
   12    HA   THR   2           HA       THR   2 -20.267  -7.110  -2.588
   13    HB   THR   2           HB       THR   2 -19.982  -8.388  -4.781
   14    HG1  THR   2           HG1      THR   2 -21.032  -7.398  -6.360
   15   HG21  THR   2          HG21      THR   2 -22.633  -8.511  -3.339
   16   HG22  THR   2          HG22      THR   2 -21.145  -9.321  -2.849
   17   HG23  THR   2          HG23      THR   2 -21.954  -9.791  -4.345
   18    H    SER   3           H        SER   3 -19.738  -4.436  -2.891
   19    HA   SER   3           HA       SER   3 -17.626  -4.341  -4.919
   20    HB2  SER   3           HB2      SER   3 -17.584  -1.861  -4.108
   21    HB3  SER   3           HB3      SER   3 -18.914  -2.400  -5.134
   22    HG   SER   3           HG       SER   3 -20.240  -1.991  -3.566
   23    H    GLN   4           H        GLN   4 -18.195  -4.794  -1.612
   24    HA   GLN   4           HA       GLN   4 -15.464  -4.080  -0.841
   25    HB2  GLN   4           HB2      GLN   4 -17.824  -3.841   0.532
   26    HB3  GLN   4           HB3      GLN   4 -17.205  -5.368   1.154
   27    HG2  GLN   4           HG2      GLN   4 -16.465  -3.650   2.606
   28    HG3  GLN   4           HG3      GLN   4 -15.071  -4.218   1.687
   29   HE21  GLN   4          HE22      GLN   4 -17.554  -2.110   0.396
   30   HE22  GLN   4          HE21      GLN   4 -16.545  -0.713   0.233
   31    H    ASP   5           H        ASP   5 -15.211  -6.031   1.207
   32    HA   ASP   5           HA       ASP   5 -14.257  -8.075   1.534
   33    HB2  ASP   5           HB2      ASP   5 -16.592  -8.814   1.109
   34    HB3  ASP   5           HB3      ASP   5 -16.217  -8.968  -0.600
   35    H    LEU   6           H        LEU   6 -13.221  -6.237  -0.516
   36    HA   LEU   6           HA       LEU   6 -12.044  -8.099  -2.441
   37    HB2  LEU   6           HB2      LEU   6 -13.315  -6.115  -3.270
   38    HB3  LEU   6           HB3      LEU   6 -12.106  -5.085  -2.531
   39    HG   LEU   6           HG       LEU   6 -10.389  -6.064  -4.022
   40   HD11  LEU   6          HD11      LEU   6 -11.106  -7.433  -5.925
   41   HD12  LEU   6          HD12      LEU   6 -12.732  -7.512  -5.247
   42   HD13  LEU   6          HD13      LEU   6 -11.380  -8.244  -4.385
   43   HD21  LEU   6          HD21      LEU   6 -11.159  -4.984  -6.075
   44   HD22  LEU   6          HD22      LEU   6 -11.530  -4.010  -4.654
   45   HD23  LEU   6          HD23      LEU   6 -12.803  -4.943  -5.440
   46    H    PHE   7           H        PHE   7 -11.110  -8.167   0.147
   47    HA   PHE   7           HA       PHE   7  -9.181  -8.341   1.301
   48    HB2  PHE   7           HB2      PHE   7  -8.323  -8.203  -1.484
   49    HB3  PHE   7           HB3      PHE   7  -7.091  -7.655  -0.352
   50    HD1  PHE   7           HD2      PHE   7  -6.243  -9.163   1.377
   51    HD2  PHE   7           HD1      PHE   7  -8.948 -10.501  -1.620
   52    HE1  PHE   7           HE2      PHE   7  -5.655 -11.490   1.896
   53    HE2  PHE   7           HE1      PHE   7  -8.363 -12.836  -1.108
   54    HZ   PHE   7           HZ       PHE   7  -6.715 -13.331   0.651
   55    H    SER   8           H        SER   8  -8.951  -6.899   2.857
   56    HA   SER   8           HA       SER   8  -7.910  -4.237   2.120
   57    HB2  SER   8           HB2      SER   8  -9.514  -4.932   4.595
   58    HB3  SER   8           HB3      SER   8  -9.031  -3.323   4.064
   59    HG   SER   8           HG       SER   8 -10.427  -3.494   2.309
   60    H    TYR   9           H        TYR   9  -6.011  -3.617   3.043
   61    HA   TYR   9           HA       TYR   9  -5.038  -5.213   5.331
   62    HB2  TYR   9           HB2      TYR   9  -3.340  -3.742   3.302
   63    HB3  TYR   9           HB3      TYR   9  -2.755  -4.695   4.655
   64    HD1  TYR   9           HD2      TYR   9  -4.546  -7.109   4.360
   65    HD2  TYR   9           HD1      TYR   9  -2.399  -4.809   1.514
   66    HE1  TYR   9           HE2      TYR   9  -4.397  -9.079   2.891
   67    HE2  TYR   9           HE1      TYR   9  -2.242  -6.754   0.033
   68    HH   TYR   9           HH       TYR   9  -4.068  -9.584   0.519
   69    H    GLN  10           H        GLN  10  -3.878  -4.039   6.950
   70    HA   GLN  10           HA       GLN  10  -4.385  -1.136   6.892
   71    HB2  GLN  10           HB2      GLN  10  -5.373  -2.430   8.810
   72    HB3  GLN  10           HB3      GLN  10  -3.734  -2.814   9.322
   73    HG2  GLN  10           HG2      GLN  10  -3.288  -0.362   9.433
   74    HG3  GLN  10           HG3      GLN  10  -5.001  -0.096   9.140
   75   HE21  GLN  10          HE22      GLN  10  -5.274   0.927  11.104
   76   HE22  GLN  10          HE21      GLN  10  -5.280   0.061  12.602
   77    H    ALA  11           H        ALA  11  -2.685   0.243   7.051
   78    HA   ALA  11           HA       ALA  11  -0.147  -0.774   6.258
   79    HB1  ALA  11           HB1      ALA  11   0.528   1.598   6.300
   80    HB2  ALA  11           HB2      ALA  11  -1.032   1.993   7.032
   81    HB3  ALA  11           HB3      ALA  11  -0.966   1.319   5.399
   82    H    LEU  12           H        LEU  12   1.647  -1.090   7.343
   83    HA   LEU  12           HA       LEU  12   1.596  -1.024  10.242
   84    HB2  LEU  12           HB2      LEU  12   3.565  -2.061   8.214
   85    HB3  LEU  12           HB3      LEU  12   3.873  -2.096   9.940
   86    HG   LEU  12           HG       LEU  12   1.337  -3.308   9.022
   87   HD11  LEU  12          HD11      LEU  12   4.040  -4.482   8.447
   88   HD12  LEU  12          HD12      LEU  12   2.718  -4.181   7.315
   89   HD13  LEU  12          HD13      LEU  12   2.565  -5.443   8.540
   90   HD21  LEU  12          HD21      LEU  12   3.453  -4.123  11.009
   91   HD22  LEU  12          HD22      LEU  12   1.900  -4.925  10.769
   92   HD23  LEU  12          HD23      LEU  12   1.953  -3.271  11.382
   93    H    TYR  13           H        TYR  13   2.954   0.784   7.617
   94    HA   TYR  13           HA       TYR  13   4.261   2.598   9.516
   95    HB2  TYR  13           HB2      TYR  13   5.634   1.468   7.057
   96    HB3  TYR  13           HB3      TYR  13   6.281   2.733   8.088
   97    HD1  TYR  13           HD2      TYR  13   7.106   2.192  10.346
   98    HD2  TYR  13           HD1      TYR  13   5.755  -0.841   7.689
   99    HE1  TYR  13           HE2      TYR  13   8.233   0.493  11.721
  100    HE2  TYR  13           HE1      TYR  13   6.878  -2.549   9.055
  101    HH   TYR  13           HH       TYR  13   8.127  -1.885  12.179
  102    H    SER  14           H        SER  14   4.942   4.627   8.410
  103    HA   SER  14           HA       SER  14   2.998   5.400   6.374
  104    HB2  SER  14           HB2      SER  14   4.942   7.146   7.913
  105    HB3  SER  14           HB3      SER  14   3.570   7.688   6.943
  106    HG   SER  14           HG       SER  14   3.597   6.389   9.444
  107    H    TYR  15           H        TYR  15   3.585   5.521   4.303
  108    HA   TYR  15           HA       TYR  15   6.458   5.684   3.659
  109    HB2  TYR  15           HB2      TYR  15   5.878   3.388   3.340
  110    HB3  TYR  15           HB3      TYR  15   4.391   3.807   2.526
  111    HD1  TYR  15           HD2      TYR  15   8.077   3.741   2.143
  112    HD2  TYR  15           HD1      TYR  15   4.316   4.199   0.224
  113    HE1  TYR  15           HE2      TYR  15   9.175   3.536  -0.054
  114    HE2  TYR  15           HE1      TYR  15   5.391   3.985  -1.967
  115    HH   TYR  15           HH       TYR  15   7.305   3.867  -3.075
  116    H    ILE  16           H        ILE  16   7.010   6.930   2.013
  117    HA   ILE  16           HA       ILE  16   4.886   8.488   0.725
  118    HB   ILE  16           HB       ILE  16   7.803   9.160   1.141
  119   HG12  ILE  16          HG12      ILE  16   6.521   9.321   3.202
  120   HG13  ILE  16          HG13      ILE  16   6.931  10.934   2.628
  121   HG21  ILE  16          HG21      ILE  16   5.609  10.782  -0.151
  122   HG22  ILE  16          HG22      ILE  16   7.023  10.099  -0.953
  123   HG23  ILE  16          HG23      ILE  16   7.221  11.383   0.240
  124   HD11  ILE  16          HD11      ILE  16   4.682  11.206   1.751
  125   HD12  ILE  16          HD12      ILE  16   4.651  10.824   3.471
  126   HD13  ILE  16          HD13      ILE  16   4.268   9.577   2.285
  127    HA   PRO  17           HA       PRO  17   5.884   5.928  -2.832
  128    HB2  PRO  17           HB3      PRO  17   4.113   7.982  -4.063
  129    HB3  PRO  17           HB2      PRO  17   4.035   6.219  -4.164
  130    HG2  PRO  17           HG2      PRO  17   2.319   7.536  -2.637
  131    HG3  PRO  17           HG3      PRO  17   3.038   6.015  -2.070
  132    HD2  PRO  17           HD2      PRO  17   3.723   8.833  -1.325
  133    HD3  PRO  17           HD3      PRO  17   3.615   7.388  -0.297
  134    H    GLN  18           H        GLN  18   7.460   6.113  -4.273
  135    HA   GLN  18           HA       GLN  18   8.799   8.648  -4.591
  136    HB2  GLN  18           HB2      GLN  18   9.476   6.027  -5.934
  137    HB3  GLN  18           HB3      GLN  18  10.545   7.400  -5.660
  138    HG2  GLN  18           HG2      GLN  18  10.305   7.019  -3.216
  139    HG3  GLN  18           HG3      GLN  18   9.390   5.558  -3.578
  140   HE21  GLN  18          HE22      GLN  18  11.854   5.822  -2.120
  141   HE22  GLN  18          HE21      GLN  18  13.037   4.863  -2.956
  142    H    ASN  19           H        ASN  19   6.765   6.502  -6.344
  143    HA   ASN  19           HA       ASN  19   6.536   8.485  -8.513
  144    HB2  ASN  19           HB2      ASN  19   6.061   5.514  -8.401
  145    HB3  ASN  19           HB3      ASN  19   5.398   6.506  -9.697
  146   HD21  ASN  19          HD22      ASN  19   7.341   4.307  -9.715
  147   HD22  ASN  19          HD21      ASN  19   8.751   4.935 -10.501
  148    H    ASP  20           H        ASP  20   4.463   9.265  -8.960
  149    HA   ASP  20           HA       ASP  20   2.554   9.064  -6.817
  150    HB2  ASP  20           HB2      ASP  20   1.225  10.656  -8.068
  151    HB3  ASP  20           HB3      ASP  20   2.908  11.169  -8.087
  152    H    ASP  21           H        ASP  21   3.294   7.111  -9.333
  153    HA   ASP  21           HA       ASP  21   0.720   6.077 -10.009
  154    HB2  ASP  21           HB2      ASP  21   2.991   5.788 -11.237
  155    HB3  ASP  21           HB3      ASP  21   3.295   4.505 -10.073
  156    H    GLU  22           H        GLU  22   2.689   5.970  -7.280
  157    HA   GLU  22           HA       GLU  22   1.693   3.420  -6.280
  158    HB2  GLU  22           HB2      GLU  22   3.689   5.423  -5.234
  159    HB3  GLU  22           HB3      GLU  22   3.159   4.035  -4.298
  160    HG2  GLU  22           HG2      GLU  22   4.212   2.528  -5.703
  161    HG3  GLU  22           HG3      GLU  22   4.330   3.687  -7.026
  162    H    LEU  23           H        LEU  23   1.007   3.397  -3.978
  163    HA   LEU  23           HA       LEU  23  -0.935   5.544  -3.520
  164    HB2  LEU  23           HB2      LEU  23  -1.561   3.027  -3.730
  165    HB3  LEU  23           HB3      LEU  23  -0.912   2.889  -2.110
  166    HG   LEU  23           HG       LEU  23  -3.454   3.204  -2.364
  167   HD11  LEU  23          HD11      LEU  23  -3.582   4.597  -0.362
  168   HD12  LEU  23          HD12      LEU  23  -1.886   5.035  -0.563
  169   HD13  LEU  23          HD13      LEU  23  -2.331   3.363  -0.224
  170   HD21  LEU  23          HD21      LEU  23  -3.345   4.996  -4.013
  171   HD22  LEU  23          HD22      LEU  23  -2.539   6.032  -2.836
  172   HD23  LEU  23          HD23      LEU  23  -4.206   5.518  -2.561
  173    H    GLU  24           H        GLU  24  -0.907   6.723  -1.666
  174    HA   GLU  24           HA       GLU  24   1.510   6.744  -0.145
  175    HB2  GLU  24           HB2      GLU  24  -0.972   8.369  -0.216
  176    HB3  GLU  24           HB3      GLU  24  -0.018   8.410   1.262
  177    HG2  GLU  24           HG2      GLU  24   1.944   9.042  -0.048
  178    HG3  GLU  24           HG3      GLU  24   0.942   9.085  -1.504
  179    H    LEU  25           H        LEU  25   1.971   5.635   1.578
  180    HA   LEU  25           HA       LEU  25  -0.230   4.261   2.961
  181    HB2  LEU  25           HB2      LEU  25   2.720   3.668   3.062
  182    HB3  LEU  25           HB3      LEU  25   1.456   2.729   3.818
  183    HG   LEU  25           HG       LEU  25   1.691   3.105   0.836
  184   HD11  LEU  25          HD11      LEU  25   2.608   0.811   2.562
  185   HD12  LEU  25          HD12      LEU  25   3.642   1.924   1.664
  186   HD13  LEU  25          HD13      LEU  25   2.574   0.821   0.797
  187   HD21  LEU  25          HD21      LEU  25   0.077   1.185   2.513
  188   HD22  LEU  25          HD22      LEU  25   0.134   1.226   0.752
  189   HD23  LEU  25          HD23      LEU  25  -0.557   2.582   1.643
  190    H    ARG  26           H        ARG  26  -0.535   4.503   5.124
  191    HA   ARG  26           HA       ARG  26   1.295   6.261   6.584
  192    HB2  ARG  26           HB2      ARG  26  -0.413   7.732   5.840
  193    HB3  ARG  26           HB3      ARG  26  -1.690   6.608   6.267
  194    HG2  ARG  26           HG2      ARG  26  -1.105   6.934   8.644
  195    HG3  ARG  26           HG3      ARG  26   0.069   8.161   8.145
  196    HD2  ARG  26           HD2      ARG  26  -1.719   9.428   7.060
  197    HD3  ARG  26           HD3      ARG  26  -2.884   8.201   7.556
  198    HE   ARG  26           HE       ARG  26  -2.468   8.879   9.861
  199   HH11  ARG  26          HH11      ARG  26  -1.330  11.010   7.333
  200   HH12  ARG  26          HH12      ARG  26  -1.440  12.447   8.313
  201   HH21  ARG  26          HH22      ARG  26  -2.576  10.754  11.179
  202   HH22  ARG  26          HH21      ARG  26  -2.138  12.293  10.501
  203    H    ASP  27           H        ASP  27   1.494   5.791   8.688
  204    HA   ASP  27           HA       ASP  27   1.110   3.178   9.532
  205    HB2  ASP  27           HB2      ASP  27   2.740   4.615  10.598
  206    HB3  ASP  27           HB3      ASP  27   1.475   5.669  11.203
  207    H    GLY  28           H        GLY  28  -0.808   2.231   9.552
  208    HA2  GLY  28           HA2      GLY  28  -2.654   1.618  10.894
  209    HA3  GLY  28           HA3      GLY  28  -2.812   3.287  11.419
  210    H    ASP  29           H        ASP  29  -2.370   3.614   8.221
  211    HA   ASP  29           HA       ASP  29  -5.175   3.994   7.695
  212    HB2  ASP  29           HB2      ASP  29  -3.479   5.498   6.699
  213    HB3  ASP  29           HB3      ASP  29  -2.825   4.143   5.785
  214    H    ILE  30           H        ILE  30  -6.451   2.850   6.197
  215    HA   ILE  30           HA       ILE  30  -5.522   0.107   5.754
  216    HB   ILE  30           HB       ILE  30  -8.276   1.305   5.908
  217   HG12  ILE  30          HG12      ILE  30  -8.496  -0.719   7.495
  218   HG13  ILE  30          HG13      ILE  30  -6.744  -0.783   7.423
  219   HG21  ILE  30          HG21      ILE  30  -7.618  -1.468   4.932
  220   HG22  ILE  30          HG22      ILE  30  -8.280  -0.153   3.962
  221   HG23  ILE  30          HG23      ILE  30  -9.232  -0.848   5.275
  222   HD11  ILE  30          HD11      ILE  30  -7.448   0.416   9.387
  223   HD12  ILE  30          HD12      ILE  30  -8.414   1.520   8.403
  224   HD13  ILE  30          HD13      ILE  30  -6.658   1.521   8.263
  225    H    VAL  31           H        VAL  31  -5.401  -0.769   3.760
  226    HA   VAL  31           HA       VAL  31  -6.307   0.862   1.488
  227    HB   VAL  31           HB       VAL  31  -3.675  -0.617   1.681
  228   HG11  VAL  31          HG11      VAL  31  -4.658   0.868  -0.736
  229   HG12  VAL  31          HG12      VAL  31  -4.976  -0.852  -0.526
  230   HG13  VAL  31          HG13      VAL  31  -3.312  -0.267  -0.610
  231   HG21  VAL  31          HG21      VAL  31  -2.670   1.524   1.312
  232   HG22  VAL  31          HG22      VAL  31  -3.813   1.684   2.645
  233   HG23  VAL  31          HG23      VAL  31  -4.246   2.265   1.033
  234    H    ASP  32           H        ASP  32  -7.705  -0.189   0.283
  235    HA   ASP  32           HA       ASP  32  -8.059  -3.058   0.573
  236    HB2  ASP  32           HB2      ASP  32  -9.507  -1.176  -1.300
  237    HB3  ASP  32           HB3      ASP  32 -10.037  -2.768  -0.773
  238    H    VAL  33           H        VAL  33  -6.937  -4.433  -0.656
  239    HA   VAL  33           HA       VAL  33  -5.577  -3.397  -3.023
  240    HB   VAL  33           HB       VAL  33  -4.106  -4.492  -1.526
  241   HG11  VAL  33          HG11      VAL  33  -6.168  -6.656  -1.437
  242   HG12  VAL  33          HG12      VAL  33  -5.399  -5.779  -0.107
  243   HG13  VAL  33          HG13      VAL  33  -4.486  -6.981  -1.017
  244   HG21  VAL  33          HG21      VAL  33  -4.707  -6.440  -3.742
  245   HG22  VAL  33          HG22      VAL  33  -3.178  -6.266  -2.880
  246   HG23  VAL  33          HG23      VAL  33  -3.766  -4.959  -3.911
  247    H    MET  34           H        MET  34  -6.244  -3.817  -5.009
  248    HA   MET  34           HA       MET  34  -8.392  -5.785  -5.331
  249    HB2  MET  34           HB2      MET  34  -9.256  -4.518  -7.085
  250    HB3  MET  34           HB3      MET  34  -8.706  -3.318  -5.935
  251    HG2  MET  34           HG2      MET  34  -7.934  -2.413  -7.873
  252    HG3  MET  34           HG3      MET  34  -6.529  -3.363  -7.391
  253    HE1  MET  34           HE1      MET  34  -6.831  -2.290 -10.262
  254    HE2  MET  34           HE2      MET  34  -6.533  -3.682 -11.303
  255    HE3  MET  34           HE3      MET  34  -5.516  -3.408  -9.889
  256    H    GLU  35           H        GLU  35  -5.184  -4.944  -6.390
  257    HA   GLU  35           HA       GLU  35  -5.125  -7.437  -7.948
  258    HB2  GLU  35           HB2      GLU  35  -5.188  -5.507  -9.488
  259    HB3  GLU  35           HB3      GLU  35  -3.722  -4.890  -8.735
  260    HG2  GLU  35           HG2      GLU  35  -3.205  -6.045 -10.803
  261    HG3  GLU  35           HG3      GLU  35  -2.530  -6.894  -9.410
  262    H    LYS  36           H        LYS  36  -3.253  -8.597  -7.870
  263    HA   LYS  36           HA       LYS  36  -1.288  -7.694  -5.873
  264    HB2  LYS  36           HB2      LYS  36  -2.437 -10.467  -6.217
  265    HB3  LYS  36           HB3      LYS  36  -1.058 -10.085  -5.195
  266    HG2  LYS  36           HG2      LYS  36  -2.457  -8.637  -3.823
  267    HG3  LYS  36           HG3      LYS  36  -3.841  -8.979  -4.861
  268    HD2  LYS  36           HD2      LYS  36  -2.342 -11.194  -3.510
  269    HD3  LYS  36           HD3      LYS  36  -3.584 -10.290  -2.648
  270    HE2  LYS  36           HE2      LYS  36  -4.534 -12.302  -3.592
  271    HE3  LYS  36           HE3      LYS  36  -5.206 -10.891  -4.400
  272    HZ1  LYS  36           HZ1      LYS  36  -2.986 -12.547  -5.482
  273    HZ2  LYS  36           HZ2      LYS  36  -3.783 -11.275  -6.274
  274    HZ3  LYS  36           HZ3      LYS  36  -4.615 -12.706  -5.931
  275    H    CYS  37           H        CYS  37   0.564  -7.365  -6.862
  276    HA   CYS  37           HA       CYS  37   1.245  -8.667  -9.328
  277    HB2  CYS  37           HB2      CYS  37   3.078  -7.041  -7.561
  278    HB3  CYS  37           HB3      CYS  37   3.212  -7.314  -9.296
  279    HG   CYS  37           HG       CYS  37   1.600  -4.930  -7.664
  280    H    ASP  38           H        ASP  38   2.857 -10.183  -9.639
  281    HA   ASP  38           HA       ASP  38   3.255 -12.070  -7.553
  282    HB2  ASP  38           HB2      ASP  38   4.539 -11.816 -10.283
  283    HB3  ASP  38           HB3      ASP  38   4.759 -13.193  -9.210
  284    H    ASP  39           H        ASP  39   4.819  -9.204  -8.402
  285    HA   ASP  39           HA       ASP  39   7.448  -9.935  -7.478
  286    HB2  ASP  39           HB2      ASP  39   7.047  -8.228  -9.243
  287    HB3  ASP  39           HB3      ASP  39   6.299  -7.191  -8.034
  288    H    GLY  40           H        GLY  40   4.538  -9.013  -5.921
  289    HA2  GLY  40           HA2      GLY  40   4.589  -9.506  -3.521
  290    HA3  GLY  40           HA3      GLY  40   6.141  -8.690  -3.452
  291    H    TRP  41           H        TRP  41   5.139  -6.515  -5.228
  292    HA   TRP  41           HA       TRP  41   3.797  -4.964  -3.175
  293    HB2  TRP  41           HB2      TRP  41   4.359  -3.997  -5.971
  294    HB3  TRP  41           HB3      TRP  41   4.222  -3.055  -4.493
  295    HD1  TRP  41           HD1      TRP  41   6.730  -3.617  -6.787
  296    HE1  TRP  41           HE1      TRP  41   9.087  -3.814  -5.787
  297    HE3  TRP  41           HE3      TRP  41   5.494  -4.580  -1.887
  298    HZ2  TRP  41           HZ2      TRP  41  10.272  -4.315  -3.290
  299    HZ3  TRP  41           HZ3      TRP  41   7.316  -4.910  -0.279
  300    HH2  TRP  41           HH2      TRP  41   9.651  -4.781  -0.963
  301    H    PHE  42           H        PHE  42   1.700  -3.953  -3.529
  302    HA   PHE  42           HA       PHE  42   0.062  -5.590  -5.339
  303    HB2  PHE  42           HB2      PHE  42  -0.601  -4.662  -2.540
  304    HB3  PHE  42           HB3      PHE  42  -1.686  -5.540  -3.605
  305    HD1  PHE  42           HD1      PHE  42   0.436  -7.464  -4.720
  306    HD2  PHE  42           HD2      PHE  42  -0.552  -6.217  -0.769
  307    HE1  PHE  42           HE1      PHE  42   1.286  -9.596  -3.836
  308    HE2  PHE  42           HE2      PHE  42   0.306  -8.344   0.119
  309    HZ   PHE  42           HZ       PHE  42   1.225 -10.037  -1.414
  310    H    VAL  43           H        VAL  43  -2.086  -4.602  -5.795
  311    HA   VAL  43           HA       VAL  43  -1.847  -1.674  -6.048
  312    HB   VAL  43           HB       VAL  43  -2.978  -3.765  -7.856
  313   HG11  VAL  43          HG11      VAL  43  -3.969  -0.913  -7.852
  314   HG12  VAL  43          HG12      VAL  43  -4.919  -2.303  -7.327
  315   HG13  VAL  43          HG13      VAL  43  -4.393  -2.178  -9.005
  316   HG21  VAL  43          HG21      VAL  43  -1.983  -2.286  -9.531
  317   HG22  VAL  43          HG22      VAL  43  -0.818  -2.738  -8.281
  318   HG23  VAL  43          HG23      VAL  43  -1.584  -1.149  -8.242
  319    H    GLY  44           H        GLY  44  -3.316  -0.418  -5.062
  320    HA2  GLY  44           HA2      GLY  44  -5.821  -1.552  -4.100
  321    HA3  GLY  44           HA3      GLY  44  -4.628  -1.237  -2.853
  322    H    THR  45           H        THR  45  -6.538   0.064  -2.165
  323    HA   THR  45           HA       THR  45  -6.311   2.790  -3.228
  324    HB   THR  45           HB       THR  45  -8.856   1.371  -2.469
  325    HG1  THR  45           HG1      THR  45  -7.583   1.915  -4.881
  326   HG21  THR  45          HG21      THR  45  -9.957   3.455  -3.335
  327   HG22  THR  45          HG22      THR  45  -8.367   4.217  -3.317
  328   HG23  THR  45          HG23      THR  45  -9.090   3.650  -1.813
  329    H    SER  46           H        SER  46  -6.276   4.355  -1.715
  330    HA   SER  46           HA       SER  46  -5.740   3.599   0.995
  331    HB2  SER  46           HB2      SER  46  -4.571   5.490  -0.086
  332    HB3  SER  46           HB3      SER  46  -6.102   6.345  -0.247
  333    HG   SER  46           HG       SER  46  -4.907   5.553   2.225
  334    H    ARG  47           H        ARG  47  -7.208   3.420   2.612
  335    HA   ARG  47           HA       ARG  47  -9.969   4.035   2.201
  336    HB2  ARG  47           HB2      ARG  47  -9.054   2.229   3.711
  337    HB3  ARG  47           HB3      ARG  47  -8.580   3.496   4.831
  338    HG2  ARG  47           HG2      ARG  47 -10.991   4.203   4.883
  339    HG3  ARG  47           HG3      ARG  47 -11.356   2.722   3.991
  340    HD2  ARG  47           HD2      ARG  47 -10.191   1.457   5.820
  341    HD3  ARG  47           HD3      ARG  47 -10.117   2.971   6.716
  342    HE   ARG  47           HE       ARG  47 -12.718   1.956   5.812
  343   HH11  ARG  47          HH11      ARG  47 -10.521   2.803   8.405
  344   HH12  ARG  47          HH12      ARG  47 -11.729   2.663   9.646
  345   HH21  ARG  47          HH22      ARG  47 -14.311   1.760   7.449
  346   HH22  ARG  47          HH21      ARG  47 -13.876   2.086   9.108
  347    H    ARG  48           H        ARG  48  -7.236   5.680   3.505
  348    HA   ARG  48           HA       ARG  48  -8.536   7.688   5.003
  349    HB2  ARG  48           HB2      ARG  48  -6.286   7.329   5.492
  350    HB3  ARG  48           HB3      ARG  48  -5.819   7.299   3.804
  351    HG2  ARG  48           HG2      ARG  48  -6.216   9.742   3.702
  352    HG3  ARG  48           HG3      ARG  48  -6.532   9.717   5.441
  353    HD2  ARG  48           HD2      ARG  48  -4.337   9.053   5.940
  354    HD3  ARG  48           HD3      ARG  48  -4.014   8.583   4.275
  355    HE   ARG  48           HE       ARG  48  -4.444  11.408   4.977
  356   HH11  ARG  48          HH11      ARG  48  -2.438   8.843   3.666
  357   HH12  ARG  48          HH12      ARG  48  -1.227   9.936   3.060
  358   HH21  ARG  48          HH22      ARG  48  -2.845  12.847   4.148
  359   HH22  ARG  48          HH21      ARG  48  -1.473  12.197   3.299
  360    H    THR  49           H        THR  49  -7.272   7.668   1.670
  361    HA   THR  49           HA       THR  49  -8.645  10.241   1.259
  362    HB   THR  49           HB       THR  49  -6.518  10.983   1.143
  363    HG1  THR  49           HG1      THR  49  -5.732  10.504  -1.213
  364   HG21  THR  49          HG21      THR  49  -4.567   9.678   0.459
  365   HG22  THR  49          HG22      THR  49  -5.619   8.309   0.099
  366   HG23  THR  49          HG23      THR  49  -5.468   8.895   1.757
  367    H    LYS  50           H        LYS  50  -8.559   7.072   0.328
  368    HA   LYS  50           HA       LYS  50  -9.557   5.848  -1.263
  369    HB2  LYS  50           HB2      LYS  50 -11.097   8.363  -1.881
  370    HB3  LYS  50           HB3      LYS  50 -11.515   6.748  -2.424
  371    HG2  LYS  50           HG2      LYS  50 -11.680   7.914   0.327
  372    HG3  LYS  50           HG3      LYS  50 -12.934   7.129  -0.626
  373    HD2  LYS  50           HD2      LYS  50 -10.581   5.820   0.735
  374    HD3  LYS  50           HD3      LYS  50 -12.283   5.661   1.162
  375    HE2  LYS  50           HE2      LYS  50 -11.072   4.748  -1.444
  376    HE3  LYS  50           HE3      LYS  50 -11.349   3.703  -0.056
  377    HZ1  LYS  50           HZ1      LYS  50 -13.651   3.884  -0.278
  378    HZ2  LYS  50           HZ2      LYS  50 -13.093   3.689  -1.868
  379    HZ3  LYS  50           HZ3      LYS  50 -13.560   5.227  -1.313
  380    H    GLN  51           H        GLN  51  -7.096   6.965  -1.946
  381    HA   GLN  51           HA       GLN  51  -7.382   7.527  -4.799
  382    HB2  GLN  51           HB2      GLN  51  -4.765   7.700  -4.527
  383    HB3  GLN  51           HB3      GLN  51  -5.814   9.039  -4.086
  384    HG2  GLN  51           HG2      GLN  51  -5.724   8.215  -1.733
  385    HG3  GLN  51           HG3      GLN  51  -4.510   7.046  -2.256
  386   HE21  GLN  51          HE22      GLN  51  -2.916   7.934  -0.948
  387   HE22  GLN  51          HE21      GLN  51  -2.174   9.457  -1.296
  388    H    PHE  52           H        PHE  52  -6.070   6.329  -6.318
  389    HA   PHE  52           HA       PHE  52  -5.846   3.511  -5.484
  390    HB2  PHE  52           HB2      PHE  52  -7.856   3.757  -6.746
  391    HB3  PHE  52           HB3      PHE  52  -7.054   4.734  -7.964
  392    HD1  PHE  52           HD2      PHE  52  -6.791   1.314  -6.469
  393    HD2  PHE  52           HD1      PHE  52  -6.556   3.742  -9.957
  394    HE1  PHE  52           HE2      PHE  52  -6.448  -0.694  -7.839
  395    HE2  PHE  52           HE1      PHE  52  -6.209   1.734 -11.331
  396    HZ   PHE  52           HZ       PHE  52  -6.155  -0.488 -10.274
  397    H    GLY  53           H        GLY  53  -4.093   2.400  -6.121
  398    HA2  GLY  53           HA2      GLY  53  -2.561   2.825  -8.413
  399    HA3  GLY  53           HA3      GLY  53  -1.793   3.722  -7.107
  400    H    THR  54           H        THR  54   0.011   2.367  -7.276
  401    HA   THR  54           HA       THR  54  -0.406  -0.365  -6.288
  402    HB   THR  54           HB       THR  54   0.848  -0.431  -8.291
  403    HG1  THR  54           HG1      THR  54   3.124  -0.542  -6.814
  404   HG21  THR  54          HG21      THR  54   3.088   0.917  -8.326
  405   HG22  THR  54          HG22      THR  54   2.262   1.931  -7.137
  406   HG23  THR  54          HG23      THR  54   1.569   1.712  -8.748
  407    H    PHE  55           H        PHE  55   0.373  -0.971  -4.376
  408    HA   PHE  55           HA       PHE  55   2.085   0.901  -2.924
  409    HB2  PHE  55           HB2      PHE  55   0.793   0.741  -0.915
  410    HB3  PHE  55           HB3      PHE  55  -0.312   1.182  -2.205
  411    HD1  PHE  55           HD1      PHE  55  -1.596  -0.787  -3.319
  412    HD2  PHE  55           HD2      PHE  55   0.280  -1.020   0.489
  413    HE1  PHE  55           HE1      PHE  55  -3.027  -2.704  -2.736
  414    HE2  PHE  55           HE2      PHE  55  -1.143  -2.939   1.079
  415    HZ   PHE  55           HZ       PHE  55  -2.798  -3.785  -0.536
  416    HA   PRO  56           HA       PRO  56   4.458  -2.737  -2.154
  417    HB2  PRO  56           HB3      PRO  56   5.290  -1.295   0.292
  418    HB3  PRO  56           HB2      PRO  56   6.275  -1.947  -1.021
  419    HG2  PRO  56           HG2      PRO  56   5.873   0.687  -0.750
  420    HG3  PRO  56           HG3      PRO  56   5.985  -0.075  -2.346
  421    HD2  PRO  56           HD2      PRO  56   3.569   0.867  -0.857
  422    HD3  PRO  56           HD3      PRO  56   3.920   0.926  -2.597
  423    H    GLY  57           H        GLY  57   3.231  -4.416  -1.518
  424    HA2  GLY  57           HA2      GLY  57   1.443  -4.425   0.684
  425    HA3  GLY  57           HA3      GLY  57   2.007  -5.837  -0.193
  426    H    ASN  58           H        ASN  58   4.616  -4.148   0.826
  427    HA   ASN  58           HA       ASN  58   5.324  -6.079   2.826
  428    HB2  ASN  58           HB2      ASN  58   6.913  -5.203   1.123
  429    HB3  ASN  58           HB3      ASN  58   6.764  -3.604   1.841
  430   HD21  ASN  58          HD22      ASN  58   8.951  -3.498   2.278
  431   HD22  ASN  58          HD21      ASN  58   9.683  -4.397   3.564
  432    H    TYR  59           H        TYR  59   3.986  -2.880   2.749
  433    HA   TYR  59           HA       TYR  59   4.692  -2.443   5.579
  434    HB2  TYR  59           HB2      TYR  59   3.687  -0.413   3.576
  435    HB3  TYR  59           HB3      TYR  59   4.267  -0.080   5.202
  436    HD1  TYR  59           HD2      TYR  59   6.766  -0.767   5.675
  437    HD2  TYR  59           HD1      TYR  59   5.105  -0.238   1.796
  438    HE1  TYR  59           HE2      TYR  59   9.027  -0.460   4.752
  439    HE2  TYR  59           HE1      TYR  59   7.347   0.080   0.867
  440    HH   TYR  59           HH       TYR  59   9.528   0.403   1.351
  441    H    VAL  60           H        VAL  60   2.473  -4.136   4.616
  442    HA   VAL  60           HA       VAL  60   0.347  -2.815   6.094
  443    HB   VAL  60           HB       VAL  60  -1.379  -3.478   4.413
  444   HG11  VAL  60          HG11      VAL  60   0.659  -1.599   3.226
  445   HG12  VAL  60          HG12      VAL  60  -0.404  -1.161   4.563
  446   HG13  VAL  60          HG13      VAL  60  -1.088  -1.583   2.988
  447   HG21  VAL  60          HG21      VAL  60   1.046  -4.080   2.728
  448   HG22  VAL  60          HG22      VAL  60  -0.585  -3.880   2.082
  449   HG23  VAL  60          HG23      VAL  60  -0.244  -5.187   3.211
  450    H    LYS  61           H        LYS  61  -1.315  -4.304   6.783
  451    HA   LYS  61           HA       LYS  61  -0.208  -7.013   7.097
  452    HB2  LYS  61           HB2      LYS  61  -1.160  -7.019   9.330
  453    HB3  LYS  61           HB3      LYS  61  -0.089  -5.642   9.116
  454    HG2  LYS  61           HG2      LYS  61  -2.520  -4.610   8.399
  455    HG3  LYS  61           HG3      LYS  61  -2.946  -5.731   9.684
  456    HD2  LYS  61           HD2      LYS  61  -1.091  -3.370   9.806
  457    HD3  LYS  61           HD3      LYS  61  -2.566  -3.649  10.732
  458    HE2  LYS  61           HE2      LYS  61  -1.380  -5.626  11.768
  459    HE3  LYS  61           HE3      LYS  61   0.098  -5.021  11.001
  460    HZ1  LYS  61           HZ1      LYS  61  -0.291  -2.889  12.185
  461    HZ2  LYS  61           HZ2      LYS  61  -0.005  -4.198  13.233
  462    HZ3  LYS  61           HZ3      LYS  61  -1.580  -3.615  13.017
  463    HA   PRO  62           HA       PRO  62  -3.944  -8.505   5.190
  464    HB2  PRO  62           HB3      PRO  62  -3.403 -10.959   6.733
  465    HB3  PRO  62           HB2      PRO  62  -3.542 -10.738   4.990
  466    HG2  PRO  62           HG2      PRO  62  -1.173 -11.190   6.154
  467    HG3  PRO  62           HG3      PRO  62  -1.329 -10.102   4.763
  468    HD2  PRO  62           HD2      PRO  62  -1.038  -9.440   7.662
  469    HD3  PRO  62           HD3      PRO  62  -0.314  -8.652   6.245
  470    H    LEU  63           H        LEU  63  -5.999  -8.257   5.817
  471    HA   LEU  63           HA       LEU  63  -6.595  -8.424   8.688
  472    HB2  LEU  63           HB2      LEU  63  -8.094  -7.015   6.475
  473    HB3  LEU  63           HB3      LEU  63  -8.580  -7.045   8.158
  474    HG   LEU  63           HG       LEU  63  -6.083  -5.759   7.056
  475   HD11  LEU  63          HD11      LEU  63  -8.512  -4.506   8.318
  476   HD12  LEU  63          HD12      LEU  63  -8.237  -4.621   6.580
  477   HD13  LEU  63          HD13      LEU  63  -7.134  -3.679   7.585
  478   HD21  LEU  63          HD21      LEU  63  -5.762  -4.912   9.330
  479   HD22  LEU  63          HD22      LEU  63  -5.687  -6.673   9.280
  480   HD23  LEU  63          HD23      LEU  63  -7.138  -5.868   9.879
  481    H    TYR  64           H        TYR  64  -9.336  -8.620   8.552
  482    HA   TYR  64           HA       TYR  64  -9.668 -11.409   8.449
  483    HB2  TYR  64           HB2      TYR  64 -12.045  -9.606   8.274
  484    HB3  TYR  64           HB3      TYR  64 -11.796 -11.032   9.277
  485    HD1  TYR  64           HD2      TYR  64 -10.490 -10.849  11.382
  486    HD2  TYR  64           HD1      TYR  64 -11.435  -7.431   9.034
  487    HE1  TYR  64           HE2      TYR  64  -9.941  -9.391  13.289
  488    HE2  TYR  64           HE1      TYR  64 -10.893  -5.969  10.929
  489    HH   TYR  64           HH       TYR  64  -9.351  -7.139  13.792
  490    H    LEU  65           H        LEU  65 -10.742  -8.831   6.315
  491    HA   LEU  65           HA       LEU  65 -10.865 -10.744   4.126
  492    HB2  LEU  65           HB2      LEU  65 -12.942  -9.687   3.261
  493    HB3  LEU  65           HB3      LEU  65 -13.170 -10.589   4.742
  494    HG   LEU  65           HG       LEU  65 -12.823  -7.601   4.811
  495   HD11  LEU  65          HD11      LEU  65 -14.623  -8.044   3.227
  496   HD12  LEU  65          HD12      LEU  65 -15.261  -7.388   4.735
  497   HD13  LEU  65          HD13      LEU  65 -15.401  -9.113   4.396
  498   HD21  LEU  65          HD21      LEU  65 -12.683  -8.789   6.934
  499   HD22  LEU  65          HD22      LEU  65 -14.229  -9.576   6.612
  500   HD23  LEU  65          HD23      LEU  65 -14.162  -7.830   6.858
  Start of MODEL   13
    1    H1   GLN   1           H1       GLN   1 -12.146  -6.961 -11.516
    2    H2   GLN   1           H2       GLN   1 -13.139  -7.645 -10.320
    3    H3   GLN   1           H3       GLN   1 -11.776  -6.746  -9.877
    4    HA   GLN   1           HA       GLN   1 -12.772  -4.766 -10.900
    5    HB2  GLN   1           HB2      GLN   1 -14.244  -6.135 -12.420
    6    HB3  GLN   1           HB3      GLN   1 -15.250  -6.496 -11.026
    7    HG2  GLN   1           HG2      GLN   1 -15.603  -4.038 -10.747
    8    HG3  GLN   1           HG3      GLN   1 -14.768  -3.810 -12.282
    9   HE21  GLN   1          HE22      GLN   1 -16.911  -6.481 -11.538
   10   HE22  GLN   1          HE21      GLN   1 -18.150  -6.043 -12.674
   11    H    THR   2           H        THR   2 -14.058  -3.350  -9.576
   12    HA   THR   2           HA       THR   2 -15.155  -2.610  -7.735
   13    HB   THR   2           HB       THR   2 -15.553  -5.505  -6.965
   14    HG1  THR   2           HG1      THR   2 -17.712  -4.178  -8.004
   15   HG21  THR   2          HG21      THR   2 -17.021  -2.992  -6.142
   16   HG22  THR   2          HG22      THR   2 -15.928  -3.931  -5.125
   17   HG23  THR   2          HG23      THR   2 -17.451  -4.636  -5.667
   18    H    SER   3           H        SER   3 -13.158  -1.734  -7.010
   19    HA   SER   3           HA       SER   3 -11.834  -3.160  -4.843
   20    HB2  SER   3           HB2      SER   3 -10.541  -0.909  -4.727
   21    HB3  SER   3           HB3      SER   3 -10.277  -1.944  -6.130
   22    HG   SER   3           HG       SER   3 -11.317   0.571  -5.994
   23    H    GLN   4           H        GLN   4 -12.222  -2.777  -2.718
   24    HA   GLN   4           HA       GLN   4 -13.691  -0.627  -1.650
   25    HB2  GLN   4           HB2      GLN   4 -15.592  -1.335  -2.882
   26    HB3  GLN   4           HB3      GLN   4 -15.275  -3.030  -2.549
   27    HG2  GLN   4           HG2      GLN   4 -17.175  -2.330  -1.295
   28    HG3  GLN   4           HG3      GLN   4 -15.833  -2.658  -0.197
   29   HE21  GLN   4          HE22      GLN   4 -18.265  -1.032   0.108
   30   HE22  GLN   4          HE21      GLN   4 -17.716   0.549   0.557
   31    H    ASP   5           H        ASP   5 -14.478  -3.984  -0.940
   32    HA   ASP   5           HA       ASP   5 -12.391  -4.062   1.126
   33    HB2  ASP   5           HB2      ASP   5 -13.883  -4.951   2.784
   34    HB3  ASP   5           HB3      ASP   5 -14.576  -3.466   2.157
   35    H    LEU   6           H        LEU   6 -12.373  -5.114  -1.425
   36    HA   LEU   6           HA       LEU   6 -13.059  -7.839  -1.628
   37    HB2  LEU   6           HB2      LEU   6 -12.459  -6.514  -3.573
   38    HB3  LEU   6           HB3      LEU   6 -10.841  -6.267  -2.947
   39    HG   LEU   6           HG       LEU   6 -10.350  -8.649  -3.229
   40   HD11  LEU   6          HD11      LEU   6 -13.139  -8.825  -4.368
   41   HD12  LEU   6          HD12      LEU   6 -12.580  -9.558  -2.864
   42   HD13  LEU   6          HD13      LEU   6 -11.929 -10.108  -4.408
   43   HD21  LEU   6          HD21      LEU   6 -10.323  -8.693  -5.665
   44   HD22  LEU   6          HD22      LEU   6  -9.896  -7.092  -5.060
   45   HD23  LEU   6          HD23      LEU   6 -11.508  -7.386  -5.713
   46    H    PHE   7           H        PHE   7 -10.123  -6.205  -0.548
   47    HA   PHE   7           HA       PHE   7  -9.677  -8.151   1.471
   48    HB2  PHE   7           HB2      PHE   7  -8.606  -9.013  -0.872
   49    HB3  PHE   7           HB3      PHE   7  -7.269  -8.029  -0.263
   50    HD1  PHE   7           HD2      PHE   7  -6.544  -8.483   2.179
   51    HD2  PHE   7           HD1      PHE   7  -8.864 -11.190  -0.141
   52    HE1  PHE   7           HE2      PHE   7  -5.897 -10.319   3.683
   53    HE2  PHE   7           HE1      PHE   7  -8.224 -13.031   1.360
   54    HZ   PHE   7           HZ       PHE   7  -6.739 -12.597   3.275
   55    H    SER   8           H        SER   8  -9.174  -6.817   3.067
   56    HA   SER   8           HA       SER   8  -7.871  -4.291   2.312
   57    HB2  SER   8           HB2      SER   8 -10.157  -4.089   3.167
   58    HB3  SER   8           HB3      SER   8  -9.693  -4.925   4.647
   59    HG   SER   8           HG       SER   8  -8.454  -2.542   3.775
   60    H    TYR   9           H        TYR   9  -6.035  -3.642   3.215
   61    HA   TYR   9           HA       TYR   9  -5.059  -5.101   5.582
   62    HB2  TYR   9           HB2      TYR   9  -3.341  -3.733   3.494
   63    HB3  TYR   9           HB3      TYR   9  -2.773  -4.629   4.891
   64    HD1  TYR   9           HD2      TYR   9  -4.517  -7.039   4.747
   65    HD2  TYR   9           HD1      TYR   9  -2.468  -4.903   1.707
   66    HE1  TYR   9           HE2      TYR   9  -4.417  -9.083   3.391
   67    HE2  TYR   9           HE1      TYR   9  -2.369  -6.936   0.327
   68    HH   TYR   9           HH       TYR   9  -2.423  -9.445   0.730
   69    H    GLN  10           H        GLN  10  -3.880  -3.883   7.096
   70    HA   GLN  10           HA       GLN  10  -4.356  -0.977   6.966
   71    HB2  GLN  10           HB2      GLN  10  -5.583  -1.780   8.812
   72    HB3  GLN  10           HB3      GLN  10  -4.314  -2.898   9.285
   73    HG2  GLN  10           HG2      GLN  10  -3.042  -1.244  10.271
   74    HG3  GLN  10           HG3      GLN  10  -3.826   0.043   9.364
   75   HE21  GLN  10          HE22      GLN  10  -5.745   0.903  10.120
   76   HE22  GLN  10          HE21      GLN  10  -6.388   0.532  11.682
   77    H    ALA  11           H        ALA  11  -2.598   0.345   7.230
   78    HA   ALA  11           HA       ALA  11  -0.127  -0.811   6.465
   79    HB1  ALA  11           HB1      ALA  11   0.705   1.528   6.615
   80    HB2  ALA  11           HB2      ALA  11  -0.874   1.988   7.267
   81    HB3  ALA  11           HB3      ALA  11  -0.746   1.334   5.632
   82    H    LEU  12           H        LEU  12   1.693  -1.170   7.513
   83    HA   LEU  12           HA       LEU  12   1.662  -1.338  10.403
   84    HB2  LEU  12           HB2      LEU  12   3.622  -2.159   8.267
   85    HB3  LEU  12           HB3      LEU  12   4.002  -2.280   9.972
   86    HG   LEU  12           HG       LEU  12   1.488  -3.573   9.118
   87   HD11  LEU  12          HD11      LEU  12   4.205  -4.532   8.256
   88   HD12  LEU  12          HD12      LEU  12   2.777  -4.250   7.256
   89   HD13  LEU  12          HD13      LEU  12   2.804  -5.594   8.398
   90   HD21  LEU  12          HD21      LEU  12   3.796  -4.381  10.885
   91   HD22  LEU  12          HD22      LEU  12   2.290  -5.280  10.693
   92   HD23  LEU  12          HD23      LEU  12   2.273  -3.674  11.422
   93    H    TYR  13           H        TYR  13   3.146   0.553   7.879
   94    HA   TYR  13           HA       TYR  13   4.237   2.424   9.840
   95    HB2  TYR  13           HB2      TYR  13   5.900   1.312   7.564
   96    HB3  TYR  13           HB3      TYR  13   6.417   2.500   8.749
   97    HD1  TYR  13           HD2      TYR  13   6.643   1.747  11.173
   98    HD2  TYR  13           HD1      TYR  13   6.197  -0.981   7.938
   99    HE1  TYR  13           HE2      TYR  13   7.563  -0.059  12.571
  100    HE2  TYR  13           HE1      TYR  13   7.114  -2.789   9.324
  101    HH   TYR  13           HH       TYR  13   8.562  -3.049  11.293
  102    H    SER  14           H        SER  14   4.943   4.456   8.727
  103    HA   SER  14           HA       SER  14   3.221   5.046   6.466
  104    HB2  SER  14           HB2      SER  14   5.131   6.820   8.013
  105    HB3  SER  14           HB3      SER  14   4.010   7.368   6.766
  106    HG   SER  14           HG       SER  14   3.552   6.958   9.367
  107    H    TYR  15           H        TYR  15   3.919   5.371   4.394
  108    HA   TYR  15           HA       TYR  15   6.807   5.286   3.869
  109    HB2  TYR  15           HB2      TYR  15   5.707   2.967   3.706
  110    HB3  TYR  15           HB3      TYR  15   4.890   3.591   2.283
  111    HD1  TYR  15           HD2      TYR  15   8.313   3.216   3.709
  112    HD2  TYR  15           HD1      TYR  15   5.906   3.385   0.208
  113    HE1  TYR  15           HE2      TYR  15  10.276   2.643   2.344
  114    HE2  TYR  15           HE1      TYR  15   7.859   2.804  -1.171
  115    HH   TYR  15           HH       TYR  15  10.742   1.612   0.146
  116    H    ILE  16           H        ILE  16   7.425   6.597   2.308
  117    HA   ILE  16           HA       ILE  16   5.374   8.186   0.971
  118    HB   ILE  16           HB       ILE  16   8.370   8.535   1.148
  119   HG12  ILE  16          HG12      ILE  16   7.266   8.923   3.279
  120   HG13  ILE  16          HG13      ILE  16   7.813  10.453   2.603
  121   HG21  ILE  16          HG21      ILE  16   7.969  10.783   0.202
  122   HG22  ILE  16          HG22      ILE  16   6.284  10.341  -0.075
  123   HG23  ILE  16          HG23      ILE  16   7.571   9.489  -0.927
  124   HD11  ILE  16          HD11      ILE  16   5.549  10.950   1.867
  125   HD12  ILE  16          HD12      ILE  16   5.602  10.641   3.603
  126   HD13  ILE  16          HD13      ILE  16   4.995   9.402   2.505
  127    HA   PRO  17           HA       PRO  17   5.795   5.483  -2.564
  128    HB2  PRO  17           HB3      PRO  17   4.279   7.682  -3.858
  129    HB3  PRO  17           HB2      PRO  17   3.900   5.959  -3.759
  130    HG2  PRO  17           HG2      PRO  17   2.555   7.733  -2.302
  131    HG3  PRO  17           HG3      PRO  17   2.991   6.146  -1.635
  132    HD2  PRO  17           HD2      PRO  17   4.265   8.815  -1.172
  133    HD3  PRO  17           HD3      PRO  17   3.924   7.512  -0.015
  134    H    GLN  18           H        GLN  18   7.256   5.369  -4.122
  135    HA   GLN  18           HA       GLN  18   9.078   7.548  -4.511
  136    HB2  GLN  18           HB2      GLN  18   8.965   4.901  -5.960
  137    HB3  GLN  18           HB3      GLN  18  10.338   5.993  -5.888
  138    HG2  GLN  18           HG2      GLN  18   9.148   4.577  -3.516
  139    HG3  GLN  18           HG3      GLN  18  10.557   4.025  -4.417
  140   HE21  GLN  18          HE22      GLN  18  11.879   4.137  -2.613
  141   HE22  GLN  18          HE21      GLN  18  12.421   5.646  -1.949
  142    H    ASN  19           H        ASN  19   6.504   6.024  -6.218
  143    HA   ASN  19           HA       ASN  19   6.640   8.127  -8.283
  144    HB2  ASN  19           HB2      ASN  19   5.544   5.323  -8.316
  145    HB3  ASN  19           HB3      ASN  19   5.105   6.509  -9.543
  146   HD21  ASN  19          HD22      ASN  19   6.517   3.961  -9.782
  147   HD22  ASN  19          HD21      ASN  19   8.041   4.326 -10.520
  148    H    ASP  20           H        ASP  20   4.809   9.362  -8.606
  149    HA   ASP  20           HA       ASP  20   2.968   9.523  -6.415
  150    HB2  ASP  20           HB2      ASP  20   1.971  11.396  -7.593
  151    HB3  ASP  20           HB3      ASP  20   3.725  11.532  -7.664
  152    H    ASP  21           H        ASP  21   3.135   7.586  -9.077
  153    HA   ASP  21           HA       ASP  21   0.316   7.240  -9.578
  154    HB2  ASP  21           HB2      ASP  21   2.592   5.396 -10.322
  155    HB3  ASP  21           HB3      ASP  21   1.011   5.501 -11.088
  156    H    GLU  22           H        GLU  22   2.363   6.445  -7.134
  157    HA   GLU  22           HA       GLU  22   1.182   3.857  -6.502
  158    HB2  GLU  22           HB2      GLU  22   3.448   5.444  -5.311
  159    HB3  GLU  22           HB3      GLU  22   2.805   4.004  -4.537
  160    HG2  GLU  22           HG2      GLU  22   3.411   2.658  -6.432
  161    HG3  GLU  22           HG3      GLU  22   3.940   4.082  -7.320
  162    H    LEU  23           H        LEU  23   0.851   3.608  -4.016
  163    HA   LEU  23           HA       LEU  23  -1.094   5.671  -3.257
  164    HB2  LEU  23           HB2      LEU  23  -1.580   3.083  -3.552
  165    HB3  LEU  23           HB3      LEU  23  -0.929   2.995  -1.929
  166    HG   LEU  23           HG       LEU  23  -3.441   3.142  -2.083
  167   HD11  LEU  23          HD11      LEU  23  -2.293   3.691  -0.019
  168   HD12  LEU  23          HD12      LEU  23  -3.671   4.759  -0.278
  169   HD13  LEU  23          HD13      LEU  23  -2.038   5.341  -0.586
  170   HD21  LEU  23          HD21      LEU  23  -3.675   4.651  -3.903
  171   HD22  LEU  23          HD22      LEU  23  -2.747   5.893  -3.061
  172   HD23  LEU  23          HD23      LEU  23  -4.340   5.431  -2.467
  173    H    GLU  24           H        GLU  24  -0.948   6.719  -1.356
  174    HA   GLU  24           HA       GLU  24   1.600   6.740  -0.052
  175    HB2  GLU  24           HB2      GLU  24  -0.784   8.411  -0.111
  176    HB3  GLU  24           HB3      GLU  24  -0.124   8.251   1.512
  177    HG2  GLU  24           HG2      GLU  24   2.082   8.929   0.620
  178    HG3  GLU  24           HG3      GLU  24   1.306   9.224  -0.940
  179    H    LEU  25           H        LEU  25   2.181   5.414   1.505
  180    HA   LEU  25           HA       LEU  25   0.119   4.044   3.052
  181    HB2  LEU  25           HB2      LEU  25   3.101   3.618   2.890
  182    HB3  LEU  25           HB3      LEU  25   1.999   2.640   3.840
  183    HG   LEU  25           HG       LEU  25   1.917   2.904   0.831
  184   HD11  LEU  25          HD11      LEU  25   2.900   0.642   2.556
  185   HD12  LEU  25          HD12      LEU  25   3.906   1.714   1.585
  186   HD13  LEU  25          HD13      LEU  25   2.766   0.622   0.799
  187   HD21  LEU  25          HD21      LEU  25   0.335   1.044   0.946
  188   HD22  LEU  25          HD22      LEU  25  -0.271   2.458   1.808
  189   HD23  LEU  25          HD23      LEU  25   0.398   1.096   2.707
  190    H    ARG  26           H        ARG  26  -0.252   4.492   5.139
  191    HA   ARG  26           HA       ARG  26   1.719   6.074   6.605
  192    HB2  ARG  26           HB2      ARG  26  -0.265   7.406   5.505
  193    HB3  ARG  26           HB3      ARG  26  -1.171   6.786   6.874
  194    HG2  ARG  26           HG2      ARG  26   0.279   7.883   8.415
  195    HG3  ARG  26           HG3      ARG  26   1.402   8.323   7.124
  196    HD2  ARG  26           HD2      ARG  26  -0.632   9.526   6.091
  197    HD3  ARG  26           HD3      ARG  26  -1.330   9.401   7.704
  198    HE   ARG  26           HE       ARG  26   0.612  10.689   8.502
  199   HH11  ARG  26          HH11      ARG  26  -0.161  10.730   5.093
  200   HH12  ARG  26          HH12      ARG  26   0.578  12.279   4.805
  201   HH21  ARG  26          HH22      ARG  26   1.590  12.732   8.145
  202   HH22  ARG  26          HH21      ARG  26   1.565  13.426   6.546
  203    H    ASP  27           H        ASP  27   1.773   5.661   8.734
  204    HA   ASP  27           HA       ASP  27   1.149   3.136   9.642
  205    HB2  ASP  27           HB2      ASP  27   2.802   4.459  10.761
  206    HB3  ASP  27           HB3      ASP  27   1.612   5.679  11.197
  207    H    GLY  28           H        GLY  28  -0.808   2.274   9.665
  208    HA2  GLY  28           HA2      GLY  28  -2.744   1.856  10.965
  209    HA3  GLY  28           HA3      GLY  28  -2.836   3.568  11.344
  210    H    ASP  29           H        ASP  29  -2.269   3.759   8.181
  211    HA   ASP  29           HA       ASP  29  -5.035   4.215   7.579
  212    HB2  ASP  29           HB2      ASP  29  -3.169   5.553   6.577
  213    HB3  ASP  29           HB3      ASP  29  -2.726   4.141   5.624
  214    H    ILE  30           H        ILE  30  -6.309   3.150   6.001
  215    HA   ILE  30           HA       ILE  30  -5.598   0.312   5.756
  216    HB   ILE  30           HB       ILE  30  -8.280   1.667   5.902
  217   HG12  ILE  30          HG12      ILE  30  -8.413  -0.260   7.694
  218   HG13  ILE  30          HG13      ILE  30  -6.665  -0.136   7.621
  219   HG21  ILE  30          HG21      ILE  30  -7.751  -1.232   5.294
  220   HG22  ILE  30          HG22      ILE  30  -8.372  -0.040   4.159
  221   HG23  ILE  30          HG23      ILE  30  -9.329  -0.493   5.568
  222   HD11  ILE  30          HD11      ILE  30  -7.431   1.230   9.412
  223   HD12  ILE  30          HD12      ILE  30  -8.624   2.012   8.375
  224   HD13  ILE  30          HD13      ILE  30  -6.908   2.290   8.105
  225    H    VAL  31           H        VAL  31  -5.518  -0.651   3.855
  226    HA   VAL  31           HA       VAL  31  -6.456   0.816   1.482
  227    HB   VAL  31           HB       VAL  31  -3.790  -0.562   1.804
  228   HG11  VAL  31          HG11      VAL  31  -3.418  -0.135  -0.586
  229   HG12  VAL  31          HG12      VAL  31  -5.085   0.420  -0.742
  230   HG13  VAL  31          HG13      VAL  31  -4.750  -1.261  -0.324
  231   HG21  VAL  31          HG21      VAL  31  -2.862   1.563   1.168
  232   HG22  VAL  31          HG22      VAL  31  -3.982   1.807   2.510
  233   HG23  VAL  31          HG23      VAL  31  -4.474   2.212   0.863
  234    H    ASP  32           H        ASP  32  -7.754  -0.336   0.230
  235    HA   ASP  32           HA       ASP  32  -8.013  -3.218   0.618
  236    HB2  ASP  32           HB2      ASP  32 -10.069  -1.880   0.378
  237    HB3  ASP  32           HB3      ASP  32  -9.514  -1.332  -1.204
  238    H    VAL  33           H        VAL  33  -6.918  -4.613  -0.597
  239    HA   VAL  33           HA       VAL  33  -5.568  -3.589  -2.975
  240    HB   VAL  33           HB       VAL  33  -4.137  -4.765  -1.437
  241   HG11  VAL  33          HG11      VAL  33  -6.253  -6.826  -1.464
  242   HG12  VAL  33          HG12      VAL  33  -5.268  -6.207  -0.128
  243   HG13  VAL  33          HG13      VAL  33  -4.579  -7.351  -1.281
  244   HG21  VAL  33          HG21      VAL  33  -4.641  -6.546  -3.811
  245   HG22  VAL  33          HG22      VAL  33  -3.143  -6.416  -2.890
  246   HG23  VAL  33          HG23      VAL  33  -3.711  -5.047  -3.851
  247    H    MET  34           H        MET  34  -6.245  -3.955  -4.918
  248    HA   MET  34           HA       MET  34  -8.452  -5.834  -5.323
  249    HB2  MET  34           HB2      MET  34  -8.903  -4.612  -7.383
  250    HB3  MET  34           HB3      MET  34  -8.829  -3.516  -6.008
  251    HG2  MET  34           HG2      MET  34  -6.929  -2.506  -6.731
  252    HG3  MET  34           HG3      MET  34  -6.341  -3.950  -7.542
  253    HE1  MET  34           HE1      MET  34  -7.949  -3.958 -10.954
  254    HE2  MET  34           HE2      MET  34  -8.379  -4.925  -9.542
  255    HE3  MET  34           HE3      MET  34  -6.681  -4.578  -9.885
  256    H    GLU  35           H        GLU  35  -5.223  -5.053  -6.451
  257    HA   GLU  35           HA       GLU  35  -5.178  -7.601  -7.899
  258    HB2  GLU  35           HB2      GLU  35  -5.272  -6.332  -9.772
  259    HB3  GLU  35           HB3      GLU  35  -4.713  -4.890  -8.950
  260    HG2  GLU  35           HG2      GLU  35  -2.443  -5.587  -9.116
  261    HG3  GLU  35           HG3      GLU  35  -2.927  -7.173  -9.712
  262    H    LYS  36           H        LYS  36  -3.124  -8.538  -8.117
  263    HA   LYS  36           HA       LYS  36  -1.165  -7.574  -6.143
  264    HB2  LYS  36           HB2      LYS  36  -2.087 -10.409  -6.606
  265    HB3  LYS  36           HB3      LYS  36  -0.690  -9.976  -5.635
  266    HG2  LYS  36           HG2      LYS  36  -2.115  -8.764  -4.089
  267    HG3  LYS  36           HG3      LYS  36  -3.529  -9.140  -5.080
  268    HD2  LYS  36           HD2      LYS  36  -3.182 -11.516  -4.697
  269    HD3  LYS  36           HD3      LYS  36  -1.733 -11.167  -3.755
  270    HE2  LYS  36           HE2      LYS  36  -3.061 -10.006  -2.093
  271    HE3  LYS  36           HE3      LYS  36  -4.518 -10.253  -3.059
  272    HZ1  LYS  36           HZ1      LYS  36  -2.862 -12.422  -1.883
  273    HZ2  LYS  36           HZ2      LYS  36  -4.306 -12.626  -2.751
  274    HZ3  LYS  36           HZ3      LYS  36  -4.321 -11.855  -1.239
  275    H    CYS  37           H        CYS  37   0.795  -7.275  -6.988
  276    HA   CYS  37           HA       CYS  37   1.550  -8.633  -9.441
  277    HB2  CYS  37           HB2      CYS  37   3.264  -6.879  -7.669
  278    HB3  CYS  37           HB3      CYS  37   3.580  -7.339  -9.340
  279    HG   CYS  37           HG       CYS  37   1.312  -5.904 -10.326
  280    H    ASP  38           H        ASP  38   2.728 -10.446  -9.509
  281    HA   ASP  38           HA       ASP  38   3.138 -11.994  -7.193
  282    HB2  ASP  38           HB2      ASP  38   4.234 -13.592  -8.657
  283    HB3  ASP  38           HB3      ASP  38   2.805 -12.941  -9.453
  284    H    ASP  39           H        ASP  39   4.855  -9.354  -8.190
  285    HA   ASP  39           HA       ASP  39   7.449 -10.309  -7.307
  286    HB2  ASP  39           HB2      ASP  39   7.162  -8.713  -9.238
  287    HB3  ASP  39           HB3      ASP  39   6.673  -7.491  -8.070
  288    H    GLY  40           H        GLY  40   4.649  -8.895  -5.895
  289    HA2  GLY  40           HA2      GLY  40   4.762  -9.310  -3.431
  290    HA3  GLY  40           HA3      GLY  40   6.282  -8.436  -3.462
  291    H    TRP  41           H        TRP  41   5.098  -6.503  -5.441
  292    HA   TRP  41           HA       TRP  41   3.841  -4.792  -3.457
  293    HB2  TRP  41           HB2      TRP  41   4.319  -4.047  -6.335
  294    HB3  TRP  41           HB3      TRP  41   4.235  -2.993  -4.930
  295    HD1  TRP  41           HD1      TRP  41   6.657  -3.645  -7.237
  296    HE1  TRP  41           HE1      TRP  41   9.053  -3.830  -6.325
  297    HE3  TRP  41           HE3      TRP  41   5.596  -4.477  -2.273
  298    HZ2  TRP  41           HZ2      TRP  41  10.321  -4.266  -3.854
  299    HZ3  TRP  41           HZ3      TRP  41   7.471  -4.766  -0.722
  300    HH2  TRP  41           HH2      TRP  41   9.786  -4.664  -1.491
  301    H    PHE  42           H        PHE  42   1.740  -3.803  -3.827
  302    HA   PHE  42           HA       PHE  42   0.035  -5.532  -5.481
  303    HB2  PHE  42           HB2      PHE  42  -0.514  -4.536  -2.679
  304    HB3  PHE  42           HB3      PHE  42  -1.625  -5.462  -3.668
  305    HD1  PHE  42           HD1      PHE  42   0.457  -7.408  -4.815
  306    HD2  PHE  42           HD2      PHE  42  -0.335  -6.015  -0.865
  307    HE1  PHE  42           HE1      PHE  42   1.381  -9.492  -3.895
  308    HE2  PHE  42           HE2      PHE  42   0.599  -8.096   0.057
  309    HZ   PHE  42           HZ       PHE  42   1.458  -9.836  -1.458
  310    H    VAL  43           H        VAL  43  -2.140  -4.586  -5.872
  311    HA   VAL  43           HA       VAL  43  -1.971  -1.660  -6.142
  312    HB   VAL  43           HB       VAL  43  -3.150  -3.756  -7.920
  313   HG11  VAL  43          HG11      VAL  43  -4.073  -0.883  -7.931
  314   HG12  VAL  43          HG12      VAL  43  -5.040  -2.225  -7.325
  315   HG13  VAL  43          HG13      VAL  43  -4.583  -2.167  -9.028
  316   HG21  VAL  43          HG21      VAL  43  -2.135  -2.358  -9.620
  317   HG22  VAL  43          HG22      VAL  43  -0.962  -2.712  -8.345
  318   HG23  VAL  43          HG23      VAL  43  -1.777  -1.146  -8.389
  319    H    GLY  44           H        GLY  44  -3.465  -0.426  -5.194
  320    HA2  GLY  44           HA2      GLY  44  -5.871  -1.624  -4.055
  321    HA3  GLY  44           HA3      GLY  44  -4.633  -1.168  -2.896
  322    H    THR  45           H        THR  45  -6.779   0.033  -2.351
  323    HA   THR  45           HA       THR  45  -6.414   2.780  -3.329
  324    HB   THR  45           HB       THR  45  -9.035   1.402  -2.758
  325    HG1  THR  45           HG1      THR  45  -7.602   1.953  -5.024
  326   HG21  THR  45          HG21      THR  45 -10.058   3.573  -3.463
  327   HG22  THR  45          HG22      THR  45  -8.450   4.294  -3.373
  328   HG23  THR  45          HG23      THR  45  -9.209   3.645  -1.918
  329    H    SER  46           H        SER  46  -6.517   4.339  -1.765
  330    HA   SER  46           HA       SER  46  -6.106   3.476   0.941
  331    HB2  SER  46           HB2      SER  46  -4.817   5.351   0.090
  332    HB3  SER  46           HB3      SER  46  -6.293   6.240  -0.282
  333    HG   SER  46           HG       SER  46  -5.166   5.641   2.250
  334    H    ARG  47           H        ARG  47  -7.528   3.417   2.534
  335    HA   ARG  47           HA       ARG  47 -10.315   3.807   2.076
  336    HB2  ARG  47           HB2      ARG  47  -9.219   2.158   3.655
  337    HB3  ARG  47           HB3      ARG  47  -8.873   3.514   4.715
  338    HG2  ARG  47           HG2      ARG  47 -11.346   3.955   4.782
  339    HG3  ARG  47           HG3      ARG  47 -11.559   2.408   3.955
  340    HD2  ARG  47           HD2      ARG  47 -10.224   1.348   5.798
  341    HD3  ARG  47           HD3      ARG  47 -10.275   2.897   6.625
  342    HE   ARG  47           HE       ARG  47 -12.861   2.502   6.286
  343   HH11  ARG  47          HH11      ARG  47 -10.393   0.227   7.280
  344   HH12  ARG  47          HH12      ARG  47 -11.465  -0.724   8.262
  345   HH21  ARG  47          HH22      ARG  47 -14.290   1.259   7.567
  346   HH22  ARG  47          HH21      ARG  47 -13.685  -0.127   8.434
  347    H    ARG  48           H        ARG  48  -7.729   5.778   3.291
  348    HA   ARG  48           HA       ARG  48  -9.475   7.610   4.699
  349    HB2  ARG  48           HB2      ARG  48  -7.224   7.002   5.537
  350    HB3  ARG  48           HB3      ARG  48  -6.511   7.775   4.133
  351    HG2  ARG  48           HG2      ARG  48  -7.489   9.912   4.847
  352    HG3  ARG  48           HG3      ARG  48  -8.102   9.115   6.298
  353    HD2  ARG  48           HD2      ARG  48  -5.214   9.238   5.483
  354    HD3  ARG  48           HD3      ARG  48  -5.967  10.302   6.673
  355    HE   ARG  48           HE       ARG  48  -6.477   7.705   7.491
  356   HH11  ARG  48          HH11      ARG  48  -3.657   9.681   6.897
  357   HH12  ARG  48          HH12      ARG  48  -2.712   8.915   8.139
  358   HH21  ARG  48          HH22      ARG  48  -5.215   6.682   9.116
  359   HH22  ARG  48          HH21      ARG  48  -3.576   7.217   9.380
  360    H    THR  49           H        THR  49  -7.299   7.758   1.885
  361    HA   THR  49           HA       THR  49  -8.538  10.340   1.228
  362    HB   THR  49           HB       THR  49  -6.310  10.827   1.573
  363    HG1  THR  49           HG1      THR  49  -6.683  10.330  -1.195
  364   HG21  THR  49          HG21      THR  49  -4.418   9.485   0.831
  365   HG22  THR  49          HG22      THR  49  -5.521   8.330   0.083
  366   HG23  THR  49          HG23      THR  49  -5.519   8.536   1.835
  367    H    LYS  50           H        LYS  50  -8.597   7.177   0.317
  368    HA   LYS  50           HA       LYS  50  -9.653   6.087  -1.354
  369    HB2  LYS  50           HB2      LYS  50 -10.857   8.777  -1.972
  370    HB3  LYS  50           HB3      LYS  50 -11.483   7.214  -2.467
  371    HG2  LYS  50           HG2      LYS  50 -11.378   8.362   0.308
  372    HG3  LYS  50           HG3      LYS  50 -12.798   7.950  -0.646
  373    HD2  LYS  50           HD2      LYS  50 -10.815   6.060   0.607
  374    HD3  LYS  50           HD3      LYS  50 -12.519   6.262   1.019
  375    HE2  LYS  50           HE2      LYS  50 -13.046   5.521  -1.334
  376    HE3  LYS  50           HE3      LYS  50 -11.338   5.111  -1.484
  377    HZ1  LYS  50           HZ1      LYS  50 -13.043   4.010   0.670
  378    HZ2  LYS  50           HZ2      LYS  50 -11.529   3.455   0.151
  379    HZ3  LYS  50           HZ3      LYS  50 -12.890   3.245  -0.836
  380    H    GLN  51           H        GLN  51  -7.056   7.025  -1.978
  381    HA   GLN  51           HA       GLN  51  -7.277   7.723  -4.802
  382    HB2  GLN  51           HB2      GLN  51  -4.629   7.593  -4.470
  383    HB3  GLN  51           HB3      GLN  51  -5.557   9.040  -4.109
  384    HG2  GLN  51           HG2      GLN  51  -5.545   8.519  -1.769
  385    HG3  GLN  51           HG3      GLN  51  -4.785   6.961  -2.081
  386   HE21  GLN  51          HE22      GLN  51  -3.043   8.154  -4.165
  387   HE22  GLN  51          HE21      GLN  51  -1.823   9.022  -3.303
  388    H    PHE  52           H        PHE  52  -6.017   6.469  -6.365
  389    HA   PHE  52           HA       PHE  52  -5.951   3.623  -5.587
  390    HB2  PHE  52           HB2      PHE  52  -7.977   3.876  -6.796
  391    HB3  PHE  52           HB3      PHE  52  -7.219   4.905  -8.004
  392    HD1  PHE  52           HD2      PHE  52  -6.917   1.438  -6.630
  393    HD2  PHE  52           HD1      PHE  52  -6.700   3.997 -10.025
  394    HE1  PHE  52           HE2      PHE  52  -6.529  -0.510  -8.073
  395    HE2  PHE  52           HE1      PHE  52  -6.308   2.050 -11.473
  396    HZ   PHE  52           HZ       PHE  52  -6.222  -0.209 -10.496
  397    H    GLY  53           H        GLY  53  -4.239   2.489  -6.226
  398    HA2  GLY  53           HA2      GLY  53  -2.777   2.813  -8.562
  399    HA3  GLY  53           HA3      GLY  53  -1.964   3.770  -7.331
  400    H    THR  54           H        THR  54  -0.165   2.488  -7.347
  401    HA   THR  54           HA       THR  54  -0.512  -0.265  -6.393
  402    HB   THR  54           HB       THR  54   0.716  -0.350  -8.384
  403    HG1  THR  54           HG1      THR  54   2.955  -0.176  -6.709
  404   HG21  THR  54          HG21      THR  54   2.801   1.133  -8.664
  405   HG22  THR  54          HG22      THR  54   2.096   2.116  -7.378
  406   HG23  THR  54          HG23      THR  54   1.216   1.873  -8.890
  407    H    PHE  55           H        PHE  55   0.671  -0.982  -4.620
  408    HA   PHE  55           HA       PHE  55   2.313   0.919  -3.166
  409    HB2  PHE  55           HB2      PHE  55   1.090   0.801  -1.104
  410    HB3  PHE  55           HB3      PHE  55  -0.036   1.302  -2.354
  411    HD1  PHE  55           HD1      PHE  55  -1.451  -0.604  -3.431
  412    HD2  PHE  55           HD2      PHE  55   0.552  -0.933   0.305
  413    HE1  PHE  55           HE1      PHE  55  -2.937  -2.464  -2.804
  414    HE2  PHE  55           HE2      PHE  55  -0.925  -2.795   0.940
  415    HZ   PHE  55           HZ       PHE  55  -2.671  -3.564  -0.616
  416    HA   PRO  56           HA       PRO  56   4.459  -2.861  -2.248
  417    HB2  PRO  56           HB3      PRO  56   5.538  -1.355   0.042
  418    HB3  PRO  56           HB2      PRO  56   6.386  -2.122  -1.304
  419    HG2  PRO  56           HG2      PRO  56   6.172   0.548  -1.102
  420    HG3  PRO  56           HG3      PRO  56   6.163  -0.275  -2.670
  421    HD2  PRO  56           HD2      PRO  56   3.874   0.848  -1.101
  422    HD3  PRO  56           HD3      PRO  56   4.156   0.863  -2.856
  423    H    GLY  57           H        GLY  57   3.040  -4.330  -1.429
  424    HA2  GLY  57           HA2      GLY  57   1.531  -3.869   0.969
  425    HA3  GLY  57           HA3      GLY  57   1.606  -5.378   0.075
  426    H    ASN  58           H        ASN  58   4.580  -4.008   0.895
  427    HA   ASN  58           HA       ASN  58   5.183  -6.119   2.779
  428    HB2  ASN  58           HB2      ASN  58   6.689  -5.271   0.870
  429    HB3  ASN  58           HB3      ASN  58   6.989  -3.867   1.891
  430   HD21  ASN  58          HD22      ASN  58   8.262  -4.081   3.723
  431   HD22  ASN  58          HD21      ASN  58   9.207  -5.491   4.035
  432    H    TYR  59           H        TYR  59   3.835  -3.095   2.889
  433    HA   TYR  59           HA       TYR  59   4.824  -2.571   5.620
  434    HB2  TYR  59           HB2      TYR  59   3.859  -0.554   3.592
  435    HB3  TYR  59           HB3      TYR  59   4.458  -0.190   5.201
  436    HD1  TYR  59           HD2      TYR  59   6.928  -1.032   5.675
  437    HD2  TYR  59           HD1      TYR  59   5.279  -0.429   1.803
  438    HE1  TYR  59           HE2      TYR  59   9.197  -0.850   4.742
  439    HE2  TYR  59           HE1      TYR  59   7.533  -0.245   0.861
  440    HH   TYR  59           HH       TYR  59  10.326  -1.144   2.565
  441    H    VAL  60           H        VAL  60   2.442  -4.104   4.571
  442    HA   VAL  60           HA       VAL  60   0.438  -2.696   6.158
  443    HB   VAL  60           HB       VAL  60  -1.360  -3.403   4.546
  444   HG11  VAL  60          HG11      VAL  60   0.637  -1.545   3.260
  445   HG12  VAL  60          HG12      VAL  60  -0.312  -1.089   4.674
  446   HG13  VAL  60          HG13      VAL  60  -1.124  -1.496   3.159
  447   HG21  VAL  60          HG21      VAL  60   1.020  -3.990   2.789
  448   HG22  VAL  60          HG22      VAL  60  -0.634  -3.815   2.202
  449   HG23  VAL  60          HG23      VAL  60  -0.232  -5.113   3.321
  450    H    LYS  61           H        LYS  61  -1.264  -4.098   6.931
  451    HA   LYS  61           HA       LYS  61  -0.312  -6.858   7.206
  452    HB2  LYS  61           HB2      LYS  61  -0.881  -6.822   9.569
  453    HB3  LYS  61           HB3      LYS  61   0.315  -5.600   9.184
  454    HG2  LYS  61           HG2      LYS  61  -1.528  -3.896   9.197
  455    HG3  LYS  61           HG3      LYS  61  -2.611  -5.176   9.761
  456    HD2  LYS  61           HD2      LYS  61  -1.978  -4.617  11.829
  457    HD3  LYS  61           HD3      LYS  61  -0.439  -5.391  11.437
  458    HE2  LYS  61           HE2      LYS  61   0.064  -3.235  12.300
  459    HE3  LYS  61           HE3      LYS  61   0.349  -3.185  10.562
  460    HZ1  LYS  61           HZ1      LYS  61  -2.062  -2.160  11.958
  461    HZ2  LYS  61           HZ2      LYS  61  -1.798  -2.114  10.285
  462    HZ3  LYS  61           HZ3      LYS  61  -0.809  -1.213  11.318
  463    HA   PRO  62           HA       PRO  62  -4.280  -8.028   5.783
  464    HB2  PRO  62           HB3      PRO  62  -3.902 -10.398   7.513
  465    HB3  PRO  62           HB2      PRO  62  -4.213 -10.313   5.779
  466    HG2  PRO  62           HG2      PRO  62  -1.796 -10.946   6.700
  467    HG3  PRO  62           HG3      PRO  62  -1.989  -9.920   5.267
  468    HD2  PRO  62           HD2      PRO  62  -1.295  -9.152   8.068
  469    HD3  PRO  62           HD3      PRO  62  -0.668  -8.515   6.535
  470    H    LEU  63           H        LEU  63  -6.116  -7.213   6.485
  471    HA   LEU  63           HA       LEU  63  -6.764  -7.291   9.331
  472    HB2  LEU  63           HB2      LEU  63  -8.038  -5.867   6.998
  473    HB3  LEU  63           HB3      LEU  63  -8.675  -5.824   8.628
  474    HG   LEU  63           HG       LEU  63  -5.967  -4.790   7.803
  475   HD11  LEU  63          HD11      LEU  63  -8.448  -3.283   8.603
  476   HD12  LEU  63          HD12      LEU  63  -7.921  -3.531   6.942
  477   HD13  LEU  63          HD13      LEU  63  -6.913  -2.603   8.054
  478   HD21  LEU  63          HD21      LEU  63  -7.453  -4.604  10.427
  479   HD22  LEU  63          HD22      LEU  63  -5.901  -3.850  10.060
  480   HD23  LEU  63          HD23      LEU  63  -6.037  -5.610  10.119
  481    H    TYR  64           H        TYR  64  -9.527  -7.276   9.169
  482    HA   TYR  64           HA       TYR  64  -9.910 -10.124   8.590
  483    HB2  TYR  64           HB2      TYR  64 -11.475  -8.233  10.341
  484    HB3  TYR  64           HB3      TYR  64 -11.846  -9.944  10.129
  485    HD1  TYR  64           HD2      TYR  64  -9.814 -11.571  10.613
  486    HD2  TYR  64           HD1      TYR  64 -10.148  -7.616  12.144
  487    HE1  TYR  64           HE2      TYR  64  -8.227 -12.137  12.402
  488    HE2  TYR  64           HE1      TYR  64  -8.559  -8.171  13.935
  489    HH   TYR  64           HH       TYR  64  -6.631 -10.925  13.891
  490    H    LEU  65           H        LEU  65 -10.289  -7.475   6.915
  491    HA   LEU  65           HA       LEU  65 -12.908  -8.122   5.802
  492    HB2  LEU  65           HB2      LEU  65 -10.954  -5.906   5.169
  493    HB3  LEU  65           HB3      LEU  65 -12.457  -6.152   4.313
  494    HG   LEU  65           HG       LEU  65 -12.871  -4.403   5.820
  495   HD11  LEU  65          HD11      LEU  65 -13.902  -6.938   7.077
  496   HD12  LEU  65          HD12      LEU  65 -14.662  -6.021   5.775
  497   HD13  LEU  65          HD13      LEU  65 -14.521  -5.315   7.385
  498   HD21  LEU  65          HD21      LEU  65 -10.888  -4.697   7.223
  499   HD22  LEU  65          HD22      LEU  65 -11.653  -6.074   8.015
  500   HD23  LEU  65          HD23      LEU  65 -12.345  -4.461   8.190
  Start of MODEL   14
    1    H1   GLN   1           H1       GLN   1 -19.401 -13.561  -5.625
    2    H2   GLN   1           H2       GLN   1 -20.327 -12.151  -5.431
    3    H3   GLN   1           H3       GLN   1 -19.190 -12.593  -4.251
    4    HA   GLN   1           HA       GLN   1 -17.398 -12.288  -5.816
    5    HB2  GLN   1           HB2      GLN   1 -17.831 -11.217  -7.965
    6    HB3  GLN   1           HB3      GLN   1 -18.678 -12.752  -7.862
    7    HG2  GLN   1           HG2      GLN   1 -20.761 -11.615  -7.416
    8    HG3  GLN   1           HG3      GLN   1 -19.936 -10.058  -7.394
    9   HE21  GLN   1          HE22      GLN   1 -19.140 -12.597  -9.667
   10   HE22  GLN   1          HE21      GLN   1 -19.772 -11.796 -11.066
   11    H    THR   2           H        THR   2 -16.377 -10.227  -6.006
   12    HA   THR   2           HA       THR   2 -17.850  -7.868  -5.233
   13    HB   THR   2           HB       THR   2 -17.495  -8.708  -3.028
   14    HG1  THR   2           HG1      THR   2 -15.733  -7.136  -2.315
   15   HG21  THR   2          HG21      THR   2 -15.282  -9.322  -2.158
   16   HG22  THR   2          HG22      THR   2 -14.589  -9.078  -3.762
   17   HG23  THR   2          HG23      THR   2 -15.766 -10.364  -3.497
   18    H    SER   3           H        SER   3 -16.957  -6.096  -6.090
   19    HA   SER   3           HA       SER   3 -14.197  -6.308  -7.103
   20    HB2  SER   3           HB2      SER   3 -15.889  -6.288  -8.920
   21    HB3  SER   3           HB3      SER   3 -16.499  -4.748  -8.318
   22    HG   SER   3           HG       SER   3 -14.280  -3.966  -8.658
   23    H    GLN   4           H        GLN   4 -15.249  -5.324  -4.526
   24    HA   GLN   4           HA       GLN   4 -13.856  -2.767  -4.545
   25    HB2  GLN   4           HB2      GLN   4 -16.070  -1.950  -4.745
   26    HB3  GLN   4           HB3      GLN   4 -16.701  -3.150  -3.629
   27    HG2  GLN   4           HG2      GLN   4 -16.678  -0.966  -2.605
   28    HG3  GLN   4           HG3      GLN   4 -15.561  -2.059  -1.785
   29   HE21  GLN   4          HE22      GLN   4 -13.353  -1.663  -1.906
   30   HE22  GLN   4          HE21      GLN   4 -12.710  -0.170  -2.492
   31    H    ASP   5           H        ASP   5 -15.904  -4.029  -1.998
   32    HA   ASP   5           HA       ASP   5 -13.796  -4.253  -0.114
   33    HB2  ASP   5           HB2      ASP   5 -16.555  -5.501  -0.054
   34    HB3  ASP   5           HB3      ASP   5 -15.475  -5.317   1.324
   35    H    LEU   6           H        LEU   6 -12.218  -5.541  -1.040
   36    HA   LEU   6           HA       LEU   6 -12.990  -8.327  -1.624
   37    HB2  LEU   6           HB2      LEU   6 -12.320  -7.048  -3.597
   38    HB3  LEU   6           HB3      LEU   6 -10.799  -6.637  -2.828
   39    HG   LEU   6           HG       LEU   6 -10.183  -9.043  -2.826
   40   HD11  LEU   6          HD11      LEU   6 -12.691  -9.359  -4.467
   41   HD12  LEU   6          HD12      LEU   6 -12.421  -9.999  -2.845
   42   HD13  LEU   6          HD13      LEU   6 -11.466 -10.599  -4.201
   43   HD21  LEU   6          HD21      LEU   6 -10.876  -7.867  -5.515
   44   HD22  LEU   6          HD22      LEU   6  -9.736  -9.184  -5.234
   45   HD23  LEU   6          HD23      LEU   6  -9.399  -7.574  -4.597
   46    H    PHE   7           H        PHE   7 -10.015  -6.496  -0.915
   47    HA   PHE   7           HA       PHE   7  -9.491  -8.212   1.373
   48    HB2  PHE   7           HB2      PHE   7  -8.457  -9.021  -1.013
   49    HB3  PHE   7           HB3      PHE   7  -7.170  -7.952  -0.449
   50    HD1  PHE   7           HD2      PHE   7  -5.979  -8.451   1.640
   51    HD2  PHE   7           HD1      PHE   7  -8.874 -11.121   0.032
   52    HE1  PHE   7           HE2      PHE   7  -5.121 -10.249   3.086
   53    HE2  PHE   7           HE1      PHE   7  -8.023 -12.921   1.474
   54    HZ   PHE   7           HZ       PHE   7  -6.143 -12.486   3.003
   55    H    SER   8           H        SER   8  -9.098  -6.721   2.898
   56    HA   SER   8           HA       SER   8  -7.717  -4.266   2.079
   57    HB2  SER   8           HB2      SER   8  -9.419  -4.758   4.535
   58    HB3  SER   8           HB3      SER   8  -8.745  -3.212   4.022
   59    HG   SER   8           HG       SER   8 -10.119  -4.226   1.972
   60    H    TYR   9           H        TYR   9  -5.830  -3.680   2.969
   61    HA   TYR   9           HA       TYR   9  -4.844  -5.230   5.279
   62    HB2  TYR   9           HB2      TYR   9  -3.202  -3.713   3.239
   63    HB3  TYR   9           HB3      TYR   9  -2.573  -4.614   4.604
   64    HD1  TYR   9           HD2      TYR   9  -4.080  -7.162   4.395
   65    HD2  TYR   9           HD1      TYR   9  -2.339  -4.714   1.401
   66    HE1  TYR   9           HE2      TYR   9  -3.794  -9.137   2.954
   67    HE2  TYR   9           HE1      TYR   9  -2.039  -6.668  -0.051
   68    HH   TYR   9           HH       TYR   9  -3.526  -9.663   0.574
   69    H    GLN  10           H        GLN  10  -3.711  -4.016   6.897
   70    HA   GLN  10           HA       GLN  10  -4.231  -1.113   6.806
   71    HB2  GLN  10           HB2      GLN  10  -5.159  -2.467   8.749
   72    HB3  GLN  10           HB3      GLN  10  -3.491  -2.722   9.249
   73    HG2  GLN  10           HG2      GLN  10  -3.198  -0.274   9.371
   74    HG3  GLN  10           HG3      GLN  10  -4.902  -0.079   8.979
   75   HE21  GLN  10          HE22      GLN  10  -6.459  -0.624  10.499
   76   HE22  GLN  10          HE21      GLN  10  -6.078  -0.844  12.169
   77    H    ALA  11           H        ALA  11  -2.531   0.276   6.918
   78    HA   ALA  11           HA       ALA  11   0.028  -0.732   6.197
   79    HB1  ALA  11           HB1      ALA  11   0.709   1.636   6.301
   80    HB2  ALA  11           HB2      ALA  11  -0.856   2.026   7.020
   81    HB3  ALA  11           HB3      ALA  11  -0.773   1.396   5.374
   82    H    LEU  12           H        LEU  12   1.600  -1.390   7.429
   83    HA   LEU  12           HA       LEU  12   1.493  -1.463  10.254
   84    HB2  LEU  12           HB2      LEU  12   3.732  -1.961   8.293
   85    HB3  LEU  12           HB3      LEU  12   3.896  -2.211  10.022
   86    HG   LEU  12           HG       LEU  12   1.592  -3.591   8.863
   87   HD11  LEU  12          HD11      LEU  12   4.377  -4.245   7.943
   88   HD12  LEU  12          HD12      LEU  12   2.965  -3.846   6.956
   89   HD13  LEU  12          HD13      LEU  12   3.016  -5.365   7.851
   90   HD21  LEU  12          HD21      LEU  12   3.942  -4.462  10.542
   91   HD22  LEU  12          HD22      LEU  12   2.520  -5.443  10.185
   92   HD23  LEU  12          HD23      LEU  12   2.358  -3.969  11.139
   93    H    TYR  13           H        TYR  13   3.148   0.592   7.930
   94    HA   TYR  13           HA       TYR  13   3.213   2.720   9.813
   95    HB2  TYR  13           HB2      TYR  13   5.680   3.123   9.679
   96    HB3  TYR  13           HB3      TYR  13   5.213   1.724  10.625
   97    HD1  TYR  13           HD1      TYR  13   5.393  -0.564   9.502
   98    HD2  TYR  13           HD2      TYR  13   7.286   2.932   8.005
   99    HE1  TYR  13           HE1      TYR  13   7.009  -1.971   8.290
  100    HE2  TYR  13           HE2      TYR  13   8.901   1.541   6.779
  101    HH   TYR  13           HH       TYR  13   8.519  -1.861   6.413
  102    H    SER  14           H        SER  14   4.649   4.589   8.725
  103    HA   SER  14           HA       SER  14   3.083   5.113   6.375
  104    HB2  SER  14           HB2      SER  14   5.124   6.863   7.769
  105    HB3  SER  14           HB3      SER  14   3.922   7.392   6.589
  106    HG   SER  14           HG       SER  14   3.648   7.132   9.231
  107    H    TYR  15           H        TYR  15   3.779   5.525   4.327
  108    HA   TYR  15           HA       TYR  15   6.642   5.433   3.726
  109    HB2  TYR  15           HB2      TYR  15   5.804   3.129   3.380
  110    HB3  TYR  15           HB3      TYR  15   4.598   3.752   2.268
  111    HD1  TYR  15           HD2      TYR  15   8.306   3.819   2.760
  112    HD2  TYR  15           HD1      TYR  15   5.065   3.721   0.018
  113    HE1  TYR  15           HE2      TYR  15   9.899   3.623   0.897
  114    HE2  TYR  15           HE1      TYR  15   6.644   3.522  -1.860
  115    HH   TYR  15           HH       TYR  15   8.856   3.793  -2.446
  116    H    ILE  16           H        ILE  16   7.222   6.677   2.036
  117    HA   ILE  16           HA       ILE  16   5.093   8.278   0.804
  118    HB   ILE  16           HB       ILE  16   8.000   8.944   1.275
  119   HG12  ILE  16          HG12      ILE  16   6.670   9.134   3.284
  120   HG13  ILE  16          HG13      ILE  16   7.045  10.750   2.696
  121   HG21  ILE  16          HG21      ILE  16   5.876  10.618  -0.067
  122   HG22  ILE  16          HG22      ILE  16   7.253   9.861  -0.867
  123   HG23  ILE  16          HG23      ILE  16   7.517  11.141   0.318
  124   HD11  ILE  16          HD11      ILE  16   4.808  10.926   1.742
  125   HD12  ILE  16          HD12      ILE  16   4.749  10.594   3.474
  126   HD13  ILE  16          HD13      ILE  16   4.435   9.300   2.316
  127    HA   PRO  17           HA       PRO  17   6.083   5.838  -2.813
  128    HB2  PRO  17           HB3      PRO  17   4.274   7.810  -4.073
  129    HB3  PRO  17           HB2      PRO  17   4.170   6.048  -4.046
  130    HG2  PRO  17           HG2      PRO  17   2.514   7.546  -2.593
  131    HG3  PRO  17           HG3      PRO  17   3.152   6.014  -1.969
  132    HD2  PRO  17           HD2      PRO  17   3.991   8.812  -1.335
  133    HD3  PRO  17           HD3      PRO  17   3.809   7.414  -0.253
  134    H    GLN  18           H        GLN  18   7.408   6.075  -4.518
  135    HA   GLN  18           HA       GLN  18   8.830   8.593  -4.733
  136    HB2  GLN  18           HB2      GLN  18   9.333   6.001  -6.204
  137    HB3  GLN  18           HB3      GLN  18  10.432   7.369  -6.076
  138    HG2  GLN  18           HG2      GLN  18  10.554   7.013  -3.645
  139    HG3  GLN  18           HG3      GLN  18   9.522   5.596  -3.819
  140   HE21  GLN  18          HE22      GLN  18  12.035   6.515  -6.087
  141   HE22  GLN  18          HE21      GLN  18  13.080   5.175  -5.749
  142    H    ASN  19           H        ASN  19   6.383   6.840  -6.267
  143    HA   ASN  19           HA       ASN  19   6.211   8.922  -8.347
  144    HB2  ASN  19           HB2      ASN  19   5.744   5.953  -8.565
  145    HB3  ASN  19           HB3      ASN  19   5.005   7.082  -9.695
  146   HD21  ASN  19          HD22      ASN  19   7.300   8.878  -9.703
  147   HD22  ASN  19          HD21      ASN  19   8.525   8.082 -10.631
  148    H    ASP  20           H        ASP  20   4.147   9.768  -8.652
  149    HA   ASP  20           HA       ASP  20   2.292   9.379  -6.486
  150    HB2  ASP  20           HB2      ASP  20   0.869  11.011  -7.850
  151    HB3  ASP  20           HB3      ASP  20   2.418  11.605  -7.254
  152    H    ASP  21           H        ASP  21   2.898   7.718  -9.251
  153    HA   ASP  21           HA       ASP  21   0.249   6.806  -9.848
  154    HB2  ASP  21           HB2      ASP  21   2.075   6.658 -11.493
  155    HB3  ASP  21           HB3      ASP  21   2.955   5.568 -10.429
  156    H    GLU  22           H        GLU  22   2.445   6.333  -7.350
  157    HA   GLU  22           HA       GLU  22   1.413   3.719  -6.567
  158    HB2  GLU  22           HB2      GLU  22   3.590   5.486  -5.437
  159    HB3  GLU  22           HB3      GLU  22   3.112   3.947  -4.732
  160    HG2  GLU  22           HG2      GLU  22   3.934   2.726  -6.515
  161    HG3  GLU  22           HG3      GLU  22   3.956   4.114  -7.594
  162    H    LEU  23           H        LEU  23   0.993   3.543  -4.119
  163    HA   LEU  23           HA       LEU  23  -0.968   5.627  -3.469
  164    HB2  LEU  23           HB2      LEU  23  -1.448   3.043  -3.687
  165    HB3  LEU  23           HB3      LEU  23  -0.805   2.989  -2.062
  166    HG   LEU  23           HG       LEU  23  -3.335   3.134  -2.277
  167   HD11  LEU  23          HD11      LEU  23  -1.975   5.292  -0.688
  168   HD12  LEU  23          HD12      LEU  23  -2.138   3.607  -0.195
  169   HD13  LEU  23          HD13      LEU  23  -3.575   4.613  -0.388
  170   HD21  LEU  23          HD21      LEU  23  -3.467   4.741  -4.060
  171   HD22  LEU  23          HD22      LEU  23  -2.630   5.945  -3.076
  172   HD23  LEU  23          HD23      LEU  23  -4.245   5.396  -2.613
  173    H    GLU  24           H        GLU  24  -0.902   6.753  -1.609
  174    HA   GLU  24           HA       GLU  24   1.576   6.863  -0.179
  175    HB2  GLU  24           HB2      GLU  24  -0.863   8.459  -0.373
  176    HB3  GLU  24           HB3      GLU  24  -0.211   8.382   1.257
  177    HG2  GLU  24           HG2      GLU  24   1.989   9.068   0.321
  178    HG3  GLU  24           HG3      GLU  24   1.171   9.354  -1.220
  179    H    LEU  25           H        LEU  25   2.089   5.593   1.466
  180    HA   LEU  25           HA       LEU  25  -0.096   4.301   2.931
  181    HB2  LEU  25           HB2      LEU  25   2.845   3.633   2.900
  182    HB3  LEU  25           HB3      LEU  25   1.587   2.715   3.704
  183    HG   LEU  25           HG       LEU  25   1.738   3.131   0.720
  184   HD11  LEU  25          HD11      LEU  25   2.502   0.733   2.370
  185   HD12  LEU  25          HD12      LEU  25   3.616   1.807   1.522
  186   HD13  LEU  25          HD13      LEU  25   2.475   0.815   0.609
  187   HD21  LEU  25          HD21      LEU  25   0.078   1.290   0.690
  188   HD22  LEU  25          HD22      LEU  25  -0.520   2.759   1.464
  189   HD23  LEU  25          HD23      LEU  25  -0.011   1.389   2.450
  190    H    ARG  26           H        ARG  26  -0.444   4.735   5.010
  191    HA   ARG  26           HA       ARG  26   1.591   6.218   6.497
  192    HB2  ARG  26           HB2      ARG  26  -1.334   6.963   6.280
  193    HB3  ARG  26           HB3      ARG  26  -0.226   7.642   7.469
  194    HG2  ARG  26           HG2      ARG  26   1.130   8.587   5.714
  195    HG3  ARG  26           HG3      ARG  26   0.120   7.824   4.485
  196    HD2  ARG  26           HD2      ARG  26  -1.809   9.110   5.393
  197    HD3  ARG  26           HD3      ARG  26  -0.675   9.981   6.425
  198    HE   ARG  26           HE       ARG  26  -0.084  10.002   3.582
  199   HH11  ARG  26          HH11      ARG  26  -1.436  11.695   6.330
  200   HH12  ARG  26          HH12      ARG  26  -1.474  13.233   5.518
  201   HH21  ARG  26          HH22      ARG  26  -0.074  11.998   2.535
  202   HH22  ARG  26          HH21      ARG  26  -0.696  13.411   3.351
  203    H    ASP  27           H        ASP  27   1.674   5.791   8.641
  204    HA   ASP  27           HA       ASP  27   1.195   3.203   9.437
  205    HB2  ASP  27           HB2      ASP  27   2.717   4.974  10.486
  206    HB3  ASP  27           HB3      ASP  27   1.300   5.494  11.390
  207    H    GLY  28           H        GLY  28  -0.755   2.277   9.406
  208    HA2  GLY  28           HA2      GLY  28  -2.625   1.695  10.752
  209    HA3  GLY  28           HA3      GLY  28  -2.767   3.375  11.239
  210    H    ASP  29           H        ASP  29  -2.281   3.645   8.030
  211    HA   ASP  29           HA       ASP  29  -5.082   4.004   7.476
  212    HB2  ASP  29           HB2      ASP  29  -3.380   5.474   6.450
  213    HB3  ASP  29           HB3      ASP  29  -2.733   4.097   5.567
  214    H    ILE  30           H        ILE  30  -6.415   2.777   6.190
  215    HA   ILE  30           HA       ILE  30  -5.466   0.052   5.684
  216    HB   ILE  30           HB       ILE  30  -8.235   1.199   5.959
  217   HG12  ILE  30          HG12      ILE  30  -8.302  -0.819   7.596
  218   HG13  ILE  30          HG13      ILE  30  -6.553  -0.783   7.446
  219   HG21  ILE  30          HG21      ILE  30  -7.558  -1.590   5.042
  220   HG22  ILE  30          HG22      ILE  30  -8.250  -0.316   4.041
  221   HG23  ILE  30          HG23      ILE  30  -9.171  -0.969   5.396
  222   HD11  ILE  30          HD11      ILE  30  -7.226   0.421   9.409
  223   HD12  ILE  30          HD12      ILE  30  -8.319   1.430   8.460
  224   HD13  ILE  30          HD13      ILE  30  -6.578   1.552   8.222
  225    H    VAL  31           H        VAL  31  -5.333  -0.789   3.716
  226    HA   VAL  31           HA       VAL  31  -6.448   0.725   1.457
  227    HB   VAL  31           HB       VAL  31  -3.688  -0.494   1.609
  228   HG11  VAL  31          HG11      VAL  31  -3.464   0.088  -0.783
  229   HG12  VAL  31          HG12      VAL  31  -5.184   0.486  -0.827
  230   HG13  VAL  31          HG13      VAL  31  -4.668  -1.170  -0.505
  231   HG21  VAL  31          HG21      VAL  31  -2.931   1.717   1.023
  232   HG22  VAL  31          HG22      VAL  31  -3.995   1.830   2.427
  233   HG23  VAL  31          HG23      VAL  31  -4.597   2.267   0.823
  234    H    ASP  32           H        ASP  32  -7.776  -0.452   0.282
  235    HA   ASP  32           HA       ASP  32  -7.873  -3.339   0.616
  236    HB2  ASP  32           HB2      ASP  32  -9.955  -1.924   0.493
  237    HB3  ASP  32           HB3      ASP  32  -9.547  -1.594  -1.193
  238    H    VAL  33           H        VAL  33  -6.748  -4.646  -0.648
  239    HA   VAL  33           HA       VAL  33  -5.538  -3.591  -3.063
  240    HB   VAL  33           HB       VAL  33  -4.019  -4.770  -1.660
  241   HG11  VAL  33          HG11      VAL  33  -6.124  -6.870  -1.553
  242   HG12  VAL  33          HG12      VAL  33  -5.173  -6.145  -0.247
  243   HG13  VAL  33          HG13      VAL  33  -4.432  -7.314  -1.341
  244   HG21  VAL  33          HG21      VAL  33  -4.729  -6.585  -3.956
  245   HG22  VAL  33          HG22      VAL  33  -3.164  -6.472  -3.149
  246   HG23  VAL  33          HG23      VAL  33  -3.779  -5.103  -4.079
  247    H    MET  34           H        MET  34  -6.278  -3.913  -4.991
  248    HA   MET  34           HA       MET  34  -8.489  -5.786  -5.386
  249    HB2  MET  34           HB2      MET  34  -9.029  -4.501  -7.368
  250    HB3  MET  34           HB3      MET  34  -8.864  -3.426  -5.986
  251    HG2  MET  34           HG2      MET  34  -6.920  -2.488  -6.771
  252    HG3  MET  34           HG3      MET  34  -6.523  -3.890  -7.758
  253    HE1  MET  34           HE1      MET  34  -8.671  -3.559 -10.883
  254    HE2  MET  34           HE2      MET  34  -8.993  -4.555  -9.462
  255    HE3  MET  34           HE3      MET  34  -7.341  -4.382 -10.061
  256    H    GLU  35           H        GLU  35  -5.269  -4.976  -6.540
  257    HA   GLU  35           HA       GLU  35  -5.260  -7.487  -8.066
  258    HB2  GLU  35           HB2      GLU  35  -5.550  -5.526  -9.569
  259    HB3  GLU  35           HB3      GLU  35  -3.994  -4.922  -9.014
  260    HG2  GLU  35           HG2      GLU  35  -2.927  -6.953  -9.858
  261    HG3  GLU  35           HG3      GLU  35  -4.491  -7.524 -10.435
  262    H    LYS  36           H        LYS  36  -3.424  -8.636  -7.970
  263    HA   LYS  36           HA       LYS  36  -1.435  -7.655  -6.022
  264    HB2  LYS  36           HB2      LYS  36  -2.466 -10.469  -6.385
  265    HB3  LYS  36           HB3      LYS  36  -1.241  -9.967  -5.227
  266    HG2  LYS  36           HG2      LYS  36  -2.831  -8.628  -4.035
  267    HG3  LYS  36           HG3      LYS  36  -4.065  -8.927  -5.261
  268    HD2  LYS  36           HD2      LYS  36  -2.777 -11.042  -3.549
  269    HD3  LYS  36           HD3      LYS  36  -4.350 -10.311  -3.226
  270    HE2  LYS  36           HE2      LYS  36  -3.564 -11.968  -5.622
  271    HE3  LYS  36           HE3      LYS  36  -4.670 -12.434  -4.329
  272    HZ1  LYS  36           HZ1      LYS  36  -6.062 -10.474  -5.050
  273    HZ2  LYS  36           HZ2      LYS  36  -6.000 -11.774  -6.143
  274    HZ3  LYS  36           HZ3      LYS  36  -5.079 -10.384  -6.428
  275    H    CYS  37           H        CYS  37   0.530  -7.450  -6.825
  276    HA   CYS  37           HA       CYS  37   1.347  -8.934  -9.190
  277    HB2  CYS  37           HB2      CYS  37   3.050  -7.081  -7.521
  278    HB3  CYS  37           HB3      CYS  37   3.261  -7.519  -9.216
  279    HG   CYS  37           HG       CYS  37   1.817  -4.901  -8.016
  280    H    ASP  38           H        ASP  38   2.880 -10.552  -9.177
  281    HA   ASP  38           HA       ASP  38   3.217 -12.012  -6.756
  282    HB2  ASP  38           HB2      ASP  38   4.491 -13.587  -8.050
  283    HB3  ASP  38           HB3      ASP  38   3.136 -13.053  -9.036
  284    H    ASP  39           H        ASP  39   4.780  -9.335  -8.004
  285    HA   ASP  39           HA       ASP  39   7.426  -9.922  -7.045
  286    HB2  ASP  39           HB2      ASP  39   6.902  -8.409  -8.992
  287    HB3  ASP  39           HB3      ASP  39   6.300  -7.231  -7.832
  288    H    GLY  40           H        GLY  40   4.529  -8.855  -5.602
  289    HA2  GLY  40           HA2      GLY  40   4.610  -9.158  -3.161
  290    HA3  GLY  40           HA3      GLY  40   6.118  -8.257  -3.177
  291    H    TRP  41           H        TRP  41   5.053  -6.307  -5.129
  292    HA   TRP  41           HA       TRP  41   3.624  -4.672  -3.202
  293    HB2  TRP  41           HB2      TRP  41   4.221  -3.717  -5.970
  294    HB3  TRP  41           HB3      TRP  41   4.213  -2.819  -4.459
  295    HD1  TRP  41           HD1      TRP  41   6.535  -3.280  -6.876
  296    HE1  TRP  41           HE1      TRP  41   8.941  -3.669  -6.076
  297    HE3  TRP  41           HE3      TRP  41   5.597  -4.697  -2.004
  298    HZ2  TRP  41           HZ2      TRP  41  10.269  -4.465  -3.737
  299    HZ3  TRP  41           HZ3      TRP  41   7.514  -5.253  -0.586
  300    HH2  TRP  41           HH2      TRP  41   9.795  -5.142  -1.432
  301    H    PHE  42           H        PHE  42   1.530  -3.820  -3.583
  302    HA   PHE  42           HA       PHE  42   0.006  -5.444  -5.500
  303    HB2  PHE  42           HB2      PHE  42  -0.786  -4.658  -2.694
  304    HB3  PHE  42           HB3      PHE  42  -1.760  -5.590  -3.815
  305    HD1  PHE  42           HD1      PHE  42   0.281  -7.447  -4.917
  306    HD2  PHE  42           HD2      PHE  42  -0.414  -6.108  -0.936
  307    HE1  PHE  42           HE1      PHE  42   1.273  -9.524  -4.049
  308    HE2  PHE  42           HE2      PHE  42   0.578  -8.181  -0.062
  309    HZ   PHE  42           HZ       PHE  42   1.428  -9.890  -1.620
  310    H    VAL  43           H        VAL  43  -2.178  -4.532  -5.953
  311    HA   VAL  43           HA       VAL  43  -2.059  -1.590  -6.107
  312    HB   VAL  43           HB       VAL  43  -3.092  -3.675  -7.984
  313   HG11  VAL  43          HG11      VAL  43  -4.106  -0.835  -8.035
  314   HG12  VAL  43          HG12      VAL  43  -5.053  -2.184  -7.414
  315   HG13  VAL  43          HG13      VAL  43  -4.559  -2.159  -9.110
  316   HG21  VAL  43          HG21      VAL  43  -2.054  -2.204  -9.608
  317   HG22  VAL  43          HG22      VAL  43  -0.928  -2.552  -8.288
  318   HG23  VAL  43          HG23      VAL  43  -1.790  -1.013  -8.333
  319    H    GLY  44           H        GLY  44  -3.647  -0.411  -5.198
  320    HA2  GLY  44           HA2      GLY  44  -6.274  -1.425  -4.738
  321    HA3  GLY  44           HA3      GLY  44  -5.345  -1.440  -3.250
  322    H    THR  45           H        THR  45  -6.905   0.050  -2.420
  323    HA   THR  45           HA       THR  45  -6.493   2.808  -3.338
  324    HB   THR  45           HB       THR  45  -9.145   1.530  -2.697
  325    HG1  THR  45           HG1      THR  45  -7.755   2.046  -5.017
  326   HG21  THR  45          HG21      THR  45 -10.093   3.737  -3.387
  327   HG22  THR  45          HG22      THR  45  -8.450   4.385  -3.366
  328   HG23  THR  45          HG23      THR  45  -9.183   3.788  -1.875
  329    H    SER  46           H        SER  46  -6.428   4.317  -1.757
  330    HA   SER  46           HA       SER  46  -5.939   3.428   0.916
  331    HB2  SER  46           HB2      SER  46  -4.659   5.288   0.009
  332    HB3  SER  46           HB3      SER  46  -6.139   6.205  -0.272
  333    HG   SER  46           HG       SER  46  -4.991   5.467   2.238
  334    H    ARG  47           H        ARG  47  -7.356   3.340   2.571
  335    HA   ARG  47           HA       ARG  47 -10.125   3.917   2.179
  336    HB2  ARG  47           HB2      ARG  47  -9.222   2.124   3.659
  337    HB3  ARG  47           HB3      ARG  47  -8.637   3.367   4.752
  338    HG2  ARG  47           HG2      ARG  47 -11.042   4.139   4.932
  339    HG3  ARG  47           HG3      ARG  47 -11.471   2.631   4.116
  340    HD2  ARG  47           HD2      ARG  47 -10.146   1.432   5.892
  341    HD3  ARG  47           HD3      ARG  47 -10.057   2.971   6.741
  342    HE   ARG  47           HE       ARG  47 -12.742   2.216   6.069
  343   HH11  ARG  47          HH11      ARG  47 -10.187   1.838   8.437
  344   HH12  ARG  47          HH12      ARG  47 -11.268   1.369   9.716
  345   HH21  ARG  47          HH22      ARG  47 -14.161   1.601   7.736
  346   HH22  ARG  47          HH21      ARG  47 -13.524   1.233   9.314
  347    H    ARG  48           H        ARG  48  -7.414   5.670   3.455
  348    HA   ARG  48           HA       ARG  48  -8.985   7.550   4.963
  349    HB2  ARG  48           HB2      ARG  48  -6.654   6.867   5.544
  350    HB3  ARG  48           HB3      ARG  48  -6.091   7.734   4.123
  351    HG2  ARG  48           HG2      ARG  48  -7.163   9.792   5.120
  352    HG3  ARG  48           HG3      ARG  48  -7.317   8.857   6.612
  353    HD2  ARG  48           HD2      ARG  48  -4.884   8.399   6.506
  354    HD3  ARG  48           HD3      ARG  48  -4.787   9.475   5.115
  355    HE   ARG  48           HE       ARG  48  -5.479  10.282   7.864
  356   HH11  ARG  48          HH11      ARG  48  -4.331  11.085   4.647
  357   HH12  ARG  48          HH12      ARG  48  -3.851  12.691   5.091
  358   HH21  ARG  48          HH22      ARG  48  -4.857  12.391   8.435
  359   HH22  ARG  48          HH21      ARG  48  -4.168  13.440   7.233
  360    H    THR  49           H        THR  49  -7.115   7.696   1.932
  361    HA   THR  49           HA       THR  49  -8.335  10.323   1.441
  362    HB   THR  49           HB       THR  49  -6.095  10.801   1.563
  363    HG1  THR  49           HG1      THR  49  -5.487  10.340  -0.992
  364   HG21  THR  49          HG21      THR  49  -4.280   9.402   0.700
  365   HG22  THR  49          HG22      THR  49  -5.467   8.215   0.159
  366   HG23  THR  49          HG23      THR  49  -5.277   8.553   1.880
  367    H    LYS  50           H        LYS  50  -8.411   7.150   0.443
  368    HA   LYS  50           HA       LYS  50  -9.585   6.072  -1.149
  369    HB2  LYS  50           HB2      LYS  50 -10.830   8.764  -1.675
  370    HB3  LYS  50           HB3      LYS  50 -11.451   7.219  -2.228
  371    HG2  LYS  50           HG2      LYS  50 -11.323   8.279   0.576
  372    HG3  LYS  50           HG3      LYS  50 -12.745   7.808  -0.352
  373    HD2  LYS  50           HD2      LYS  50 -10.625   6.009   0.816
  374    HD3  LYS  50           HD3      LYS  50 -12.320   6.109   1.283
  375    HE2  LYS  50           HE2      LYS  50 -11.252   5.139  -1.358
  376    HE3  LYS  50           HE3      LYS  50 -11.862   4.122  -0.059
  377    HZ1  LYS  50           HZ1      LYS  50 -13.491   4.499  -1.848
  378    HZ2  LYS  50           HZ2      LYS  50 -13.495   6.157  -1.482
  379    HZ3  LYS  50           HZ3      LYS  50 -14.040   5.034  -0.335
  380    H    GLN  51           H        GLN  51  -7.023   7.027  -1.841
  381    HA   GLN  51           HA       GLN  51  -7.315   7.696  -4.669
  382    HB2  GLN  51           HB2      GLN  51  -4.697   7.705  -4.461
  383    HB3  GLN  51           HB3      GLN  51  -5.640   9.091  -3.925
  384    HG2  GLN  51           HG2      GLN  51  -5.522   8.128  -1.616
  385    HG3  GLN  51           HG3      GLN  51  -4.392   6.932  -2.253
  386   HE21  GLN  51          HE22      GLN  51  -2.372   7.655  -3.060
  387   HE22  GLN  51          HE21      GLN  51  -1.694   9.164  -2.546
  388    H    PHE  52           H        PHE  52  -6.081   6.492  -6.236
  389    HA   PHE  52           HA       PHE  52  -5.915   3.648  -5.477
  390    HB2  PHE  52           HB2      PHE  52  -7.837   3.927  -6.855
  391    HB3  PHE  52           HB3      PHE  52  -6.966   4.955  -7.984
  392    HD1  PHE  52           HD2      PHE  52  -7.017   1.469  -6.654
  393    HD2  PHE  52           HD1      PHE  52  -6.071   4.052  -9.905
  394    HE1  PHE  52           HE2      PHE  52  -6.535  -0.480  -8.063
  395    HE2  PHE  52           HE1      PHE  52  -5.580   2.098 -11.314
  396    HZ   PHE  52           HZ       PHE  52  -5.813  -0.171 -10.392
  397    H    GLY  53           H        GLY  53  -4.251   2.436  -6.276
  398    HA2  GLY  53           HA2      GLY  53  -2.609   2.893  -8.405
  399    HA3  GLY  53           HA3      GLY  53  -1.862   3.808  -7.100
  400    H    THR  54           H        THR  54  -0.082   2.442  -7.296
  401    HA   THR  54           HA       THR  54  -0.466  -0.273  -6.286
  402    HB   THR  54           HB       THR  54   0.677  -0.351  -8.327
  403    HG1  THR  54           HG1      THR  54   2.981  -0.684  -7.574
  404   HG21  THR  54          HG21      THR  54   2.794   1.080  -8.650
  405   HG22  THR  54          HG22      THR  54   2.154   2.068  -7.332
  406   HG23  THR  54          HG23      THR  54   1.224   1.863  -8.820
  407    H    PHE  55           H        PHE  55   0.664  -0.978  -4.522
  408    HA   PHE  55           HA       PHE  55   2.354   0.908  -3.088
  409    HB2  PHE  55           HB2      PHE  55   1.091   0.755  -1.029
  410    HB3  PHE  55           HB3      PHE  55   0.019   1.310  -2.303
  411    HD1  PHE  55           HD1      PHE  55  -1.481  -0.425  -3.419
  412    HD2  PHE  55           HD2      PHE  55   0.531  -1.112   0.264
  413    HE1  PHE  55           HE1      PHE  55  -3.057  -2.246  -2.901
  414    HE2  PHE  55           HE2      PHE  55  -1.036  -2.938   0.787
  415    HZ   PHE  55           HZ       PHE  55  -2.832  -3.507  -0.798
  416    HA   PRO  56           HA       PRO  56   4.624  -2.813  -2.288
  417    HB2  PRO  56           HB3      PRO  56   5.579  -1.332   0.094
  418    HB3  PRO  56           HB2      PRO  56   6.503  -2.053  -1.228
  419    HG2  PRO  56           HG2      PRO  56   6.215   0.593  -1.038
  420    HG3  PRO  56           HG3      PRO  56   6.207  -0.219  -2.615
  421    HD2  PRO  56           HD2      PRO  56   3.901   0.827  -1.009
  422    HD3  PRO  56           HD3      PRO  56   4.173   0.889  -2.764
  423    H    GLY  57           H        GLY  57   3.445  -4.470  -1.527
  424    HA2  GLY  57           HA2      GLY  57   1.577  -4.263   0.593
  425    HA3  GLY  57           HA3      GLY  57   2.092  -5.746  -0.193
  426    H    ASN  58           H        ASN  58   4.866  -4.381   0.788
  427    HA   ASN  58           HA       ASN  58   5.129  -6.161   2.988
  428    HB2  ASN  58           HB2      ASN  58   7.399  -5.803   2.752
  429    HB3  ASN  58           HB3      ASN  58   6.807  -5.569   1.124
  430   HD21  ASN  58          HD22      ASN  58   8.551  -4.422   0.496
  431   HD22  ASN  58          HD21      ASN  58   8.885  -2.812   1.029
  432    H    TYR  59           H        TYR  59   4.117  -2.952   2.620
  433    HA   TYR  59           HA       TYR  59   4.885  -2.204   5.352
  434    HB2  TYR  59           HB2      TYR  59   3.652  -0.558   3.138
  435    HB3  TYR  59           HB3      TYR  59   4.043   0.050   4.738
  436    HD1  TYR  59           HD2      TYR  59   6.571  -0.272   5.446
  437    HD2  TYR  59           HD1      TYR  59   5.165  -0.253   1.437
  438    HE1  TYR  59           HE2      TYR  59   8.822   0.335   4.669
  439    HE2  TYR  59           HE1      TYR  59   7.410   0.357   0.647
  440    HH   TYR  59           HH       TYR  59  10.170   0.145   2.579
  441    H    VAL  60           H        VAL  60   2.561  -4.035   4.301
  442    HA   VAL  60           HA       VAL  60   0.511  -2.798   5.980
  443    HB   VAL  60           HB       VAL  60  -1.268  -3.495   4.355
  444   HG11  VAL  60          HG11      VAL  60   0.707  -1.460   3.325
  445   HG12  VAL  60          HG12      VAL  60  -0.533  -1.163   4.544
  446   HG13  VAL  60          HG13      VAL  60  -0.998  -1.568   2.889
  447   HG21  VAL  60          HG21      VAL  60   1.121  -3.958   2.587
  448   HG22  VAL  60          HG22      VAL  60  -0.522  -3.751   1.979
  449   HG23  VAL  60          HG23      VAL  60  -0.140  -5.105   3.040
  450    H    LYS  61           H        LYS  61  -1.145  -4.299   6.671
  451    HA   LYS  61           HA       LYS  61  -0.104  -7.044   6.926
  452    HB2  LYS  61           HB2      LYS  61  -1.116  -6.916   9.287
  453    HB3  LYS  61           HB3      LYS  61   0.391  -6.054   8.999
  454    HG2  LYS  61           HG2      LYS  61  -1.117  -4.027   8.521
  455    HG3  LYS  61           HG3      LYS  61  -2.372  -4.958   9.333
  456    HD2  LYS  61           HD2      LYS  61  -1.358  -4.797  11.380
  457    HD3  LYS  61           HD3      LYS  61   0.262  -4.669  10.686
  458    HE2  LYS  61           HE2      LYS  61  -0.157  -2.409   9.979
  459    HE3  LYS  61           HE3      LYS  61  -1.841  -2.516  10.500
  460    HZ1  LYS  61           HZ1      LYS  61   0.525  -2.673  12.301
  461    HZ2  LYS  61           HZ2      LYS  61  -1.102  -2.720  12.783
  462    HZ3  LYS  61           HZ3      LYS  61  -0.462  -1.307  12.092
  463    HA   PRO  62           HA       PRO  62  -3.939  -8.341   5.290
  464    HB2  PRO  62           HB3      PRO  62  -3.622 -10.778   6.923
  465    HB3  PRO  62           HB2      PRO  62  -3.725 -10.602   5.172
  466    HG2  PRO  62           HG2      PRO  62  -1.411 -11.197   6.365
  467    HG3  PRO  62           HG3      PRO  62  -1.472 -10.125   4.954
  468    HD2  PRO  62           HD2      PRO  62  -1.181  -9.430   7.850
  469    HD3  PRO  62           HD3      PRO  62  -0.359  -8.741   6.434
  470    H    LEU  63           H        LEU  63  -5.899  -7.746   5.831
  471    HA   LEU  63           HA       LEU  63  -6.892  -8.324   8.550
  472    HB2  LEU  63           HB2      LEU  63  -7.804  -6.129   6.689
  473    HB3  LEU  63           HB3      LEU  63  -8.374  -6.414   8.320
  474    HG   LEU  63           HG       LEU  63  -5.591  -5.524   7.566
  475   HD11  LEU  63          HD11      LEU  63  -7.790  -4.010   8.954
  476   HD12  LEU  63          HD12      LEU  63  -7.438  -3.887   7.232
  477   HD13  LEU  63          HD13      LEU  63  -6.228  -3.390   8.416
  478   HD21  LEU  63          HD21      LEU  63  -5.276  -5.207   9.963
  479   HD22  LEU  63          HD22      LEU  63  -5.621  -6.896   9.593
  480   HD23  LEU  63          HD23      LEU  63  -6.882  -5.867  10.271
  481    H    TYR  64           H        TYR  64  -9.528  -7.894   8.184
  482    HA   TYR  64           HA       TYR  64 -10.337  -9.616   5.934
  483    HB2  TYR  64           HB2      TYR  64 -11.465  -9.706   8.741
  484    HB3  TYR  64           HB3      TYR  64 -12.069 -10.624   7.372
  485    HD1  TYR  64           HD1      TYR  64  -9.161 -10.216   9.633
  486    HD2  TYR  64           HD2      TYR  64 -11.090 -12.679   6.750
  487    HE1  TYR  64           HE1      TYR  64  -7.616 -12.048  10.174
  488    HE2  TYR  64           HE2      TYR  64  -9.550 -14.519   7.283
  489    HH   TYR  64           HH       TYR  64  -7.494 -14.468  10.021
  490    H    LEU  65           H        LEU  65 -12.551  -9.246   5.240
  491    HA   LEU  65           HA       LEU  65 -13.498  -6.552   5.962
  492    HB2  LEU  65           HB2      LEU  65 -12.459  -6.970   3.589
  493    HB3  LEU  65           HB3      LEU  65 -13.996  -7.734   3.245
  494    HG   LEU  65           HG       LEU  65 -13.970  -5.429   2.460
  495   HD11  LEU  65          HD11      LEU  65 -16.107  -6.336   3.204
  496   HD12  LEU  65          HD12      LEU  65 -15.999  -4.606   3.532
  497   HD13  LEU  65          HD13      LEU  65 -15.786  -5.767   4.843
  498   HD21  LEU  65          HD21      LEU  65 -12.355  -4.505   4.004
  499   HD22  LEU  65          HD22      LEU  65 -13.482  -4.708   5.344
  500   HD23  LEU  65          HD23      LEU  65 -13.846  -3.565   4.051
  Start of MODEL   15
    1    H1   GLN   1           H1       GLN   1 -13.447  -5.884  -8.669
    2    H2   GLN   1           H2       GLN   1 -12.518  -4.609  -9.294
    3    H3   GLN   1           H3       GLN   1 -13.278  -5.696 -10.347
    4    HA   GLN   1           HA       GLN   1 -14.436  -3.560 -10.213
    5    HB2  GLN   1           HB2      GLN   1 -15.664  -5.578 -10.809
    6    HB3  GLN   1           HB3      GLN   1 -15.891  -5.973  -9.112
    7    HG2  GLN   1           HG2      GLN   1 -17.245  -3.935  -8.844
    8    HG3  GLN   1           HG3      GLN   1 -17.054  -3.608 -10.565
    9   HE21  GLN   1          HE22      GLN   1 -19.466  -4.107  -8.977
   10   HE22  GLN   1          HE21      GLN   1 -20.250  -5.467  -9.721
   11    H    THR   2           H        THR   2 -14.060  -1.933  -8.825
   12    HA   THR   2           HA       THR   2 -14.306  -0.576  -7.024
   13    HB   THR   2           HB       THR   2 -16.213  -2.645  -5.913
   14    HG1  THR   2           HG1      THR   2 -17.675  -1.899  -7.268
   15   HG21  THR   2          HG21      THR   2 -15.471  -0.928  -4.304
   16   HG22  THR   2          HG22      THR   2 -17.183  -0.768  -4.697
   17   HG23  THR   2          HG23      THR   2 -16.007   0.329  -5.418
   18    H    SER   3           H        SER   3 -12.500  -0.440  -5.846
   19    HA   SER   3           HA       SER   3 -11.338  -2.718  -4.556
   20    HB2  SER   3           HB2      SER   3 -10.628   0.202  -4.206
   21    HB3  SER   3           HB3      SER   3  -9.605  -1.185  -3.842
   22    HG   SER   3           HG       SER   3  -9.206  -0.088  -5.893
   23    H    GLN   4           H        GLN   4 -12.759  -3.492  -2.987
   24    HA   GLN   4           HA       GLN   4 -12.773  -1.908  -0.549
   25    HB2  GLN   4           HB2      GLN   4 -14.928  -1.422  -1.684
   26    HB3  GLN   4           HB3      GLN   4 -15.308  -3.139  -1.642
   27    HG2  GLN   4           HG2      GLN   4 -15.347  -3.131   0.752
   28    HG3  GLN   4           HG3      GLN   4 -14.815  -1.446   0.800
   29   HE21  GLN   4          HE22      GLN   4 -17.465  -3.600   0.402
   30   HE22  GLN   4          HE21      GLN   4 -18.708  -2.393   0.260
   31    H    ASP   5           H        ASP   5 -14.964  -4.538  -0.621
   32    HA   ASP   5           HA       ASP   5 -13.345  -5.978   1.272
   33    HB2  ASP   5           HB2      ASP   5 -16.006  -6.733   0.059
   34    HB3  ASP   5           HB3      ASP   5 -15.246  -7.514   1.439
   35    H    LEU   6           H        LEU   6 -12.241  -5.868  -1.391
   36    HA   LEU   6           HA       LEU   6 -12.463  -8.582  -2.398
   37    HB2  LEU   6           HB2      LEU   6 -12.181  -6.598  -3.896
   38    HB3  LEU   6           HB3      LEU   6 -10.571  -6.379  -3.238
   39    HG   LEU   6           HG       LEU   6  -9.903  -8.564  -4.140
   40   HD11  LEU   6          HD11      LEU   6 -12.076  -9.677  -4.047
   41   HD12  LEU   6          HD12      LEU   6 -11.383  -9.767  -5.666
   42   HD13  LEU   6          HD13      LEU   6 -12.677  -8.619  -5.324
   43   HD21  LEU   6          HD21      LEU   6  -9.934  -7.942  -6.500
   44   HD22  LEU   6          HD22      LEU   6  -9.583  -6.547  -5.477
   45   HD23  LEU   6          HD23      LEU   6 -11.192  -6.749  -6.173
   46    H    PHE   7           H        PHE   7 -10.226  -6.495  -0.721
   47    HA   PHE   7           HA       PHE   7  -9.307  -8.326   1.106
   48    HB2  PHE   7           HB2      PHE   7  -8.161  -9.017  -1.298
   49    HB3  PHE   7           HB3      PHE   7  -6.944  -7.934  -0.618
   50    HD1  PHE   7           HD2      PHE   7  -6.182  -8.422   1.801
   51    HD2  PHE   7           HD1      PHE   7  -8.245 -11.235  -0.636
   52    HE1  PHE   7           HE2      PHE   7  -5.356 -10.257   3.222
   53    HE2  PHE   7           HE1      PHE   7  -7.432 -13.069   0.784
   54    HZ   PHE   7           HZ       PHE   7  -5.982 -12.584   2.713
   55    H    SER   8           H        SER   8  -8.714  -6.951   2.714
   56    HA   SER   8           HA       SER   8  -7.491  -4.405   1.858
   57    HB2  SER   8           HB2      SER   8  -9.840  -4.188   2.663
   58    HB3  SER   8           HB3      SER   8  -9.323  -4.801   4.231
   59    HG   SER   8           HG       SER   8  -9.108  -2.320   3.159
   60    H    TYR   9           H        TYR   9  -5.782  -3.595   2.994
   61    HA   TYR   9           HA       TYR   9  -4.846  -5.164   5.307
   62    HB2  TYR   9           HB2      TYR   9  -3.084  -3.721   3.310
   63    HB3  TYR   9           HB3      TYR   9  -2.540  -4.628   4.709
   64    HD1  TYR   9           HD2      TYR   9  -4.183  -7.088   4.485
   65    HD2  TYR   9           HD1      TYR   9  -2.164  -4.816   1.521
   66    HE1  TYR   9           HE2      TYR   9  -3.977  -9.102   3.090
   67    HE2  TYR   9           HE1      TYR   9  -1.962  -6.815   0.109
   68    HH   TYR   9           HH       TYR   9  -1.920  -9.344   0.499
   69    H    GLN  10           H        GLN  10  -3.707  -3.981   6.906
   70    HA   GLN  10           HA       GLN  10  -4.242  -1.084   6.873
   71    HB2  GLN  10           HB2      GLN  10  -5.266  -2.092   8.787
   72    HB3  GLN  10           HB3      GLN  10  -3.814  -3.015   9.147
   73    HG2  GLN  10           HG2      GLN  10  -2.650  -1.101   9.861
   74    HG3  GLN  10           HG3      GLN  10  -3.880  -0.023   9.212
   75   HE21  GLN  10          HE22      GLN  10  -5.833   0.200  10.318
   76   HE22  GLN  10          HE21      GLN  10  -6.003  -0.261  11.979
   77    H    ALA  11           H        ALA  11  -2.567   0.295   6.994
   78    HA   ALA  11           HA       ALA  11   0.033  -0.666   6.350
   79    HB1  ALA  11           HB1      ALA  11   0.660   1.706   6.449
   80    HB2  ALA  11           HB2      ALA  11  -0.920   2.066   7.146
   81    HB3  ALA  11           HB3      ALA  11  -0.805   1.445   5.498
   82    H    LEU  12           H        LEU  12   1.551  -1.319   7.660
   83    HA   LEU  12           HA       LEU  12   1.339  -1.342  10.478
   84    HB2  LEU  12           HB2      LEU  12   3.591  -1.889   8.557
   85    HB3  LEU  12           HB3      LEU  12   3.827  -1.974  10.292
   86    HG   LEU  12           HG       LEU  12   1.546  -3.541   9.323
   87   HD11  LEU  12          HD11      LEU  12   4.350  -4.151   8.433
   88   HD12  LEU  12          HD12      LEU  12   2.901  -3.966   7.439
   89   HD13  LEU  12          HD13      LEU  12   3.063  -5.358   8.509
   90   HD21  LEU  12          HD21      LEU  12   3.948  -4.192  11.028
   91   HD22  LEU  12          HD22      LEU  12   2.509  -5.192  10.836
   92   HD23  LEU  12          HD23      LEU  12   2.390  -3.619  11.624
   93    H    TYR  13           H        TYR  13   3.065   0.686   8.193
   94    HA   TYR  13           HA       TYR  13   3.153   2.837  10.061
   95    HB2  TYR  13           HB2      TYR  13   5.641   3.133   9.948
   96    HB3  TYR  13           HB3      TYR  13   5.099   1.774  10.914
   97    HD1  TYR  13           HD1      TYR  13   5.259  -0.542   9.917
   98    HD2  TYR  13           HD2      TYR  13   7.174   2.838   8.188
   99    HE1  TYR  13           HE1      TYR  13   6.808  -2.037   8.737
  100    HE2  TYR  13           HE2      TYR  13   8.727   1.350   6.990
  101    HH   TYR  13           HH       TYR  13   9.619  -0.878   7.130
  102    H    SER  14           H        SER  14   4.638   4.655   8.993
  103    HA   SER  14           HA       SER  14   3.196   5.182   6.574
  104    HB2  SER  14           HB2      SER  14   5.271   6.861   7.999
  105    HB3  SER  14           HB3      SER  14   4.172   7.417   6.733
  106    HG   SER  14           HG       SER  14   3.715   7.431   9.293
  107    H    TYR  15           H        TYR  15   3.931   5.402   4.535
  108    HA   TYR  15           HA       TYR  15   6.799   5.105   3.989
  109    HB2  TYR  15           HB2      TYR  15   5.770   2.859   3.724
  110    HB3  TYR  15           HB3      TYR  15   4.643   3.534   2.566
  111    HD1  TYR  15           HD2      TYR  15   8.265   2.918   3.135
  112    HD2  TYR  15           HD1      TYR  15   5.187   3.707   0.313
  113    HE1  TYR  15           HE2      TYR  15   9.837   2.462   1.298
  114    HE2  TYR  15           HE1      TYR  15   6.742   3.247  -1.528
  115    HH   TYR  15           HH       TYR  15   9.798   1.800  -1.028
  116    H    ILE  16           H        ILE  16   7.494   6.431   2.471
  117    HA   ILE  16           HA       ILE  16   5.524   8.039   1.021
  118    HB   ILE  16           HB       ILE  16   8.479   8.455   1.485
  119   HG12  ILE  16          HG12      ILE  16   7.134   8.900   3.461
  120   HG13  ILE  16          HG13      ILE  16   7.726  10.418   2.794
  121   HG21  ILE  16          HG21      ILE  16   8.215  10.615   0.372
  122   HG22  ILE  16          HG22      ILE  16   6.533  10.227   0.006
  123   HG23  ILE  16          HG23      ILE  16   7.834   9.284  -0.721
  124   HD11  ILE  16          HD11      ILE  16   5.547  10.831   1.787
  125   HD12  ILE  16          HD12      ILE  16   5.413  10.594   3.529
  126   HD13  ILE  16          HD13      ILE  16   4.956   9.296   2.426
  127    HA   PRO  17           HA       PRO  17   6.195   5.199  -2.341
  128    HB2  PRO  17           HB3      PRO  17   4.895   7.429  -3.823
  129    HB3  PRO  17           HB2      PRO  17   4.483   5.712  -3.787
  130    HG2  PRO  17           HG2      PRO  17   3.003   7.469  -2.465
  131    HG3  PRO  17           HG3      PRO  17   3.378   5.889  -1.749
  132    HD2  PRO  17           HD2      PRO  17   4.564   8.569  -1.157
  133    HD3  PRO  17           HD3      PRO  17   4.157   7.243  -0.047
  134    H    GLN  18           H        GLN  18   7.585   4.987  -4.039
  135    HA   GLN  18           HA       GLN  18   9.492   7.163  -4.400
  136    HB2  GLN  18           HB2      GLN  18   9.633   4.329  -5.431
  137    HB3  GLN  18           HB3      GLN  18  10.939   5.506  -5.423
  138    HG2  GLN  18           HG2      GLN  18   9.627   4.488  -2.916
  139    HG3  GLN  18           HG3      GLN  18  11.028   3.718  -3.650
  140   HE21  GLN  18          HE22      GLN  18  10.609   7.190  -3.657
  141   HE22  GLN  18          HE21      GLN  18  11.865   7.539  -2.523
  142    H    ASN  19           H        ASN  19   6.747   6.036  -5.718
  143    HA   ASN  19           HA       ASN  19   7.278   7.311  -8.319
  144    HB2  ASN  19           HB2      ASN  19   5.699   4.789  -7.767
  145    HB3  ASN  19           HB3      ASN  19   5.731   5.617  -9.321
  146   HD21  ASN  19          HD22      ASN  19   7.458   3.645  -7.065
  147   HD22  ASN  19          HD21      ASN  19   8.753   3.201  -8.133
  148    H    ASP  20           H        ASP  20   5.373   8.278  -9.273
  149    HA   ASP  20           HA       ASP  20   3.506   9.295  -7.317
  150    HB2  ASP  20           HB2      ASP  20   4.370  10.784  -9.057
  151    HB3  ASP  20           HB3      ASP  20   3.701   9.743 -10.308
  152    H    ASP  21           H        ASP  21   3.721   6.607  -9.264
  153    HA   ASP  21           HA       ASP  21   0.917   6.216  -9.803
  154    HB2  ASP  21           HB2      ASP  21   3.202   4.241  -9.951
  155    HB3  ASP  21           HB3      ASP  21   1.617   4.063 -10.689
  156    H    GLU  22           H        GLU  22   2.836   5.938  -7.101
  157    HA   GLU  22           HA       GLU  22   1.601   3.503  -6.089
  158    HB2  GLU  22           HB2      GLU  22   3.883   5.199  -5.110
  159    HB3  GLU  22           HB3      GLU  22   3.189   3.913  -4.137
  160    HG2  GLU  22           HG2      GLU  22   3.779   2.276  -5.802
  161    HG3  GLU  22           HG3      GLU  22   4.377   3.536  -6.877
  162    H    LEU  23           H        LEU  23   0.984   3.471  -3.799
  163    HA   LEU  23           HA       LEU  23  -0.819   5.712  -3.240
  164    HB2  LEU  23           HB2      LEU  23  -1.469   3.159  -3.406
  165    HB3  LEU  23           HB3      LEU  23  -0.832   3.088  -1.779
  166    HG   LEU  23           HG       LEU  23  -3.339   3.358  -1.968
  167   HD11  LEU  23          HD11      LEU  23  -1.876   5.520  -0.469
  168   HD12  LEU  23          HD12      LEU  23  -2.130   3.868   0.095
  169   HD13  LEU  23          HD13      LEU  23  -3.509   4.940  -0.146
  170   HD21  LEU  23          HD21      LEU  23  -3.412   4.906  -3.815
  171   HD22  LEU  23          HD22      LEU  23  -2.540   6.116  -2.872
  172   HD23  LEU  23          HD23      LEU  23  -4.169   5.631  -2.393
  173    H    GLU  24           H        GLU  24  -0.720   6.839  -1.342
  174    HA   GLU  24           HA       GLU  24   1.799   6.789   0.033
  175    HB2  GLU  24           HB2      GLU  24  -0.466   8.601  -0.196
  176    HB3  GLU  24           HB3      GLU  24   0.142   8.488   1.452
  177    HG2  GLU  24           HG2      GLU  24   2.394   8.983   0.640
  178    HG3  GLU  24           HG3      GLU  24   1.747   9.166  -0.994
  179    H    LEU  25           H        LEU  25   2.231   5.421   1.601
  180    HA   LEU  25           HA       LEU  25   0.020   4.264   3.122
  181    HB2  LEU  25           HB2      LEU  25   2.941   3.540   3.186
  182    HB3  LEU  25           HB3      LEU  25   1.631   2.646   3.924
  183    HG   LEU  25           HG       LEU  25   1.948   3.048   0.949
  184   HD11  LEU  25          HD11      LEU  25   2.568   0.641   2.655
  185   HD12  LEU  25          HD12      LEU  25   3.739   1.663   1.819
  186   HD13  LEU  25          HD13      LEU  25   2.596   0.691   0.891
  187   HD21  LEU  25          HD21      LEU  25   0.085   1.308   2.559
  188   HD22  LEU  25          HD22      LEU  25   0.238   1.291   0.802
  189   HD23  LEU  25          HD23      LEU  25  -0.363   2.734   1.620
  190    H    ARG  26           H        ARG  26  -0.295   4.668   5.233
  191    HA   ARG  26           HA       ARG  26   1.691   6.279   6.654
  192    HB2  ARG  26           HB2      ARG  26  -1.265   6.907   6.615
  193    HB3  ARG  26           HB3      ARG  26  -0.022   7.804   7.473
  194    HG2  ARG  26           HG2      ARG  26   1.032   8.310   5.269
  195    HG3  ARG  26           HG3      ARG  26  -0.378   7.586   4.497
  196    HD2  ARG  26           HD2      ARG  26  -1.822   9.236   5.426
  197    HD3  ARG  26           HD3      ARG  26  -0.530   9.860   6.457
  198    HE   ARG  26           HE       ARG  26   0.010   9.959   3.615
  199   HH11  ARG  26          HH11      ARG  26  -1.292  11.669   6.369
  200   HH12  ARG  26          HH12      ARG  26  -1.064  13.241   5.670
  201   HH21  ARG  26          HH22      ARG  26   0.362  12.007   2.697
  202   HH22  ARG  26          HH21      ARG  26  -0.087  13.438   3.590
  203    H    ASP  27           H        ASP  27   1.754   5.958   8.818
  204    HA   ASP  27           HA       ASP  27   1.299   3.425   9.781
  205    HB2  ASP  27           HB2      ASP  27   2.820   5.101  10.804
  206    HB3  ASP  27           HB3      ASP  27   1.419   5.950  11.444
  207    H    GLY  28           H        GLY  28  -0.661   2.489   9.669
  208    HA2  GLY  28           HA2      GLY  28  -2.547   1.901  10.975
  209    HA3  GLY  28           HA3      GLY  28  -2.702   3.574  11.476
  210    H    ASP  29           H        ASP  29  -2.187   3.830   8.275
  211    HA   ASP  29           HA       ASP  29  -4.983   4.266   7.717
  212    HB2  ASP  29           HB2      ASP  29  -2.987   5.623   6.799
  213    HB3  ASP  29           HB3      ASP  29  -2.780   4.297   5.657
  214    H    ILE  30           H        ILE  30  -6.251   3.157   6.148
  215    HA   ILE  30           HA       ILE  30  -5.356   0.381   5.804
  216    HB   ILE  30           HB       ILE  30  -8.133   1.553   5.930
  217   HG12  ILE  30          HG12      ILE  30  -8.217  -0.333   7.730
  218   HG13  ILE  30          HG13      ILE  30  -6.464  -0.219   7.664
  219   HG21  ILE  30          HG21      ILE  30  -7.396  -1.312   5.351
  220   HG22  ILE  30          HG22      ILE  30  -8.064  -0.181   4.177
  221   HG23  ILE  30          HG23      ILE  30  -9.023  -0.673   5.573
  222   HD11  ILE  30          HD11      ILE  30  -7.268   1.129   9.466
  223   HD12  ILE  30          HD12      ILE  30  -8.407   1.955   8.400
  224   HD13  ILE  30          HD13      ILE  30  -6.673   2.194   8.193
  225    H    VAL  31           H        VAL  31  -5.238  -0.547   3.867
  226    HA   VAL  31           HA       VAL  31  -6.189   0.979   1.540
  227    HB   VAL  31           HB       VAL  31  -3.472  -0.294   1.853
  228   HG11  VAL  31          HG11      VAL  31  -3.120   0.211  -0.546
  229   HG12  VAL  31          HG12      VAL  31  -4.836   0.599  -0.692
  230   HG13  VAL  31          HG13      VAL  31  -4.334  -1.042  -0.285
  231   HG21  VAL  31          HG21      VAL  31  -2.667   1.888   1.188
  232   HG22  VAL  31          HG22      VAL  31  -3.756   2.052   2.568
  233   HG23  VAL  31          HG23      VAL  31  -4.324   2.445   0.940
  234    H    ASP  32           H        ASP  32  -7.532  -0.146   0.360
  235    HA   ASP  32           HA       ASP  32  -7.761  -3.021   0.709
  236    HB2  ASP  32           HB2      ASP  32  -9.343  -1.301  -1.199
  237    HB3  ASP  32           HB3      ASP  32  -9.800  -2.857  -0.515
  238    H    VAL  33           H        VAL  33  -6.556  -4.341  -0.495
  239    HA   VAL  33           HA       VAL  33  -5.352  -3.388  -2.955
  240    HB   VAL  33           HB       VAL  33  -3.858  -4.629  -1.604
  241   HG11  VAL  33          HG11      VAL  33  -6.041  -6.666  -1.405
  242   HG12  VAL  33          HG12      VAL  33  -5.156  -5.842  -0.113
  243   HG13  VAL  33          HG13      VAL  33  -4.355  -7.076  -1.085
  244   HG21  VAL  33          HG21      VAL  33  -4.769  -6.494  -3.780
  245   HG22  VAL  33          HG22      VAL  33  -3.165  -6.425  -3.050
  246   HG23  VAL  33          HG23      VAL  33  -3.753  -5.074  -4.023
  247    H    MET  34           H        MET  34  -6.104  -3.733  -4.907
  248    HA   MET  34           HA       MET  34  -8.383  -5.558  -5.192
  249    HB2  MET  34           HB2      MET  34  -9.293  -4.166  -6.807
  250    HB3  MET  34           HB3      MET  34  -8.580  -3.038  -5.674
  251    HG2  MET  34           HG2      MET  34  -7.896  -2.119  -7.635
  252    HG3  MET  34           HG3      MET  34  -6.530  -3.184  -7.305
  253    HE1  MET  34           HE1      MET  34  -7.065  -1.993 -10.153
  254    HE2  MET  34           HE2      MET  34  -6.913  -3.391 -11.220
  255    HE3  MET  34           HE3      MET  34  -5.768  -3.163  -9.898
  256    H    GLU  35           H        GLU  35  -5.200  -4.796  -6.396
  257    HA   GLU  35           HA       GLU  35  -5.295  -7.260  -7.991
  258    HB2  GLU  35           HB2      GLU  35  -5.517  -5.236  -9.468
  259    HB3  GLU  35           HB3      GLU  35  -3.926  -4.734  -8.918
  260    HG2  GLU  35           HG2      GLU  35  -2.999  -6.839  -9.803
  261    HG3  GLU  35           HG3      GLU  35  -4.592  -7.244 -10.433
  262    H    LYS  36           H        LYS  36  -3.265  -8.302  -8.235
  263    HA   LYS  36           HA       LYS  36  -1.272  -7.414  -6.272
  264    HB2  LYS  36           HB2      LYS  36  -2.284 -10.250  -6.526
  265    HB3  LYS  36           HB3      LYS  36  -1.074  -9.668  -5.393
  266    HG2  LYS  36           HG2      LYS  36  -2.942  -8.091  -4.563
  267    HG3  LYS  36           HG3      LYS  36  -4.022  -9.196  -5.406
  268    HD2  LYS  36           HD2      LYS  36  -3.271 -11.052  -4.089
  269    HD3  LYS  36           HD3      LYS  36  -2.003 -10.071  -3.350
  270    HE2  LYS  36           HE2      LYS  36  -3.710  -8.655  -2.314
  271    HE3  LYS  36           HE3      LYS  36  -4.973  -9.649  -3.043
  272    HZ1  LYS  36           HZ1      LYS  36  -4.453 -10.194  -0.689
  273    HZ2  LYS  36           HZ2      LYS  36  -2.914 -10.700  -1.177
  274    HZ3  LYS  36           HZ3      LYS  36  -4.294 -11.509  -1.741
  275    H    CYS  37           H        CYS  37   0.585  -7.164  -7.273
  276    HA   CYS  37           HA       CYS  37   1.286  -8.581  -9.665
  277    HB2  CYS  37           HB2      CYS  37   3.175  -7.090  -7.841
  278    HB3  CYS  37           HB3      CYS  37   3.348  -7.394  -9.568
  279    HG   CYS  37           HG       CYS  37   1.726  -4.929  -7.993
  280    H    ASP  38           H        ASP  38   2.650 -10.330  -9.849
  281    HA   ASP  38           HA       ASP  38   2.740 -12.071  -7.593
  282    HB2  ASP  38           HB2      ASP  38   3.880 -13.641  -9.114
  283    HB3  ASP  38           HB3      ASP  38   2.429 -12.963  -9.843
  284    H    ASP  39           H        ASP  39   4.683  -9.530  -8.493
  285    HA   ASP  39           HA       ASP  39   7.158 -10.636  -7.489
  286    HB2  ASP  39           HB2      ASP  39   6.985  -8.881  -9.317
  287    HB3  ASP  39           HB3      ASP  39   6.577  -7.730  -8.050
  288    H    GLY  40           H        GLY  40   4.355  -9.238  -6.110
  289    HA2  GLY  40           HA2      GLY  40   4.228  -9.766  -3.715
  290    HA3  GLY  40           HA3      GLY  40   5.861  -9.143  -3.559
  291    H    TRP  41           H        TRP  41   4.869  -6.936  -5.522
  292    HA   TRP  41           HA       TRP  41   3.800  -5.234  -3.398
  293    HB2  TRP  41           HB2      TRP  41   4.527  -4.240  -6.135
  294    HB3  TRP  41           HB3      TRP  41   4.595  -3.397  -4.591
  295    HD1  TRP  41           HD1      TRP  41   6.788  -4.893  -7.053
  296    HE1  TRP  41           HE1      TRP  41   9.120  -5.394  -6.100
  297    HE3  TRP  41           HE3      TRP  41   5.766  -4.424  -2.036
  298    HZ2  TRP  41           HZ2      TRP  41  10.365  -5.566  -3.587
  299    HZ3  TRP  41           HZ3      TRP  41   7.594  -4.778  -0.441
  300    HH2  TRP  41           HH2      TRP  41   9.847  -5.338  -1.198
  301    H    PHE  42           H        PHE  42   1.783  -4.197  -3.596
  302    HA   PHE  42           HA       PHE  42   0.056  -5.627  -5.493
  303    HB2  PHE  42           HB2      PHE  42  -0.588  -4.726  -2.686
  304    HB3  PHE  42           HB3      PHE  42  -1.644  -5.634  -3.755
  305    HD1  PHE  42           HD1      PHE  42   0.292  -7.609  -4.871
  306    HD2  PHE  42           HD2      PHE  42  -0.268  -6.168  -0.900
  307    HE1  PHE  42           HE1      PHE  42   1.199  -9.713  -3.980
  308    HE2  PHE  42           HE2      PHE  42   0.649  -8.270  -0.008
  309    HZ   PHE  42           HZ       PHE  42   1.383 -10.044  -1.548
  310    H    VAL  43           H        VAL  43  -2.065  -4.570  -5.878
  311    HA   VAL  43           HA       VAL  43  -1.765  -1.647  -6.060
  312    HB   VAL  43           HB       VAL  43  -2.970  -3.666  -7.896
  313   HG11  VAL  43          HG11      VAL  43  -3.960  -0.814  -7.771
  314   HG12  VAL  43          HG12      VAL  43  -4.897  -2.226  -7.283
  315   HG13  VAL  43          HG13      VAL  43  -4.406  -2.032  -8.967
  316   HG21  VAL  43          HG21      VAL  43  -2.005  -2.154  -9.559
  317   HG22  VAL  43          HG22      VAL  43  -0.812  -2.637  -8.346
  318   HG23  VAL  43          HG23      VAL  43  -1.571  -1.046  -8.257
  319    H    GLY  44           H        GLY  44  -3.201  -0.383  -5.051
  320    HA2  GLY  44           HA2      GLY  44  -5.677  -1.521  -4.018
  321    HA3  GLY  44           HA3      GLY  44  -4.465  -1.112  -2.816
  322    H    THR  45           H        THR  45  -6.554   0.116  -2.288
  323    HA   THR  45           HA       THR  45  -6.262   2.843  -3.315
  324    HB   THR  45           HB       THR  45  -8.846   1.380  -2.784
  325    HG1  THR  45           HG1      THR  45  -7.556   2.291  -5.139
  326   HG21  THR  45          HG21      THR  45  -9.896   3.479  -3.693
  327   HG22  THR  45          HG22      THR  45  -8.323   4.255  -3.503
  328   HG23  THR  45          HG23      THR  45  -9.176   3.632  -2.091
  329    H    SER  46           H        SER  46  -6.385   4.402  -1.745
  330    HA   SER  46           HA       SER  46  -5.975   3.582   0.954
  331    HB2  SER  46           HB2      SER  46  -4.870   5.576   0.079
  332    HB3  SER  46           HB3      SER  46  -6.433   6.325  -0.233
  333    HG   SER  46           HG       SER  46  -5.297   5.679   2.300
  334    H    ARG  47           H        ARG  47  -7.436   3.345   2.547
  335    HA   ARG  47           HA       ARG  47 -10.230   3.505   2.029
  336    HB2  ARG  47           HB2      ARG  47  -9.085   1.939   3.634
  337    HB3  ARG  47           HB3      ARG  47  -8.851   3.308   4.709
  338    HG2  ARG  47           HG2      ARG  47 -11.380   3.588   4.639
  339    HG3  ARG  47           HG3      ARG  47 -11.415   1.981   3.904
  340    HD2  ARG  47           HD2      ARG  47 -10.064   1.173   5.859
  341    HD3  ARG  47           HD3      ARG  47 -10.329   2.747   6.602
  342    HE   ARG  47           HE       ARG  47 -12.665   1.176   5.779
  343   HH11  ARG  47          HH11      ARG  47 -10.671   2.494   8.346
  344   HH12  ARG  47          HH12      ARG  47 -11.824   2.139   9.594
  345   HH21  ARG  47          HH22      ARG  47 -14.185   0.720   7.431
  346   HH22  ARG  47          HH21      ARG  47 -13.806   1.124   9.081
  347    H    ARG  48           H        ARG  48  -7.887   5.718   3.212
  348    HA   ARG  48           HA       ARG  48  -9.768   7.407   4.620
  349    HB2  ARG  48           HB2      ARG  48  -7.502   7.076   5.463
  350    HB3  ARG  48           HB3      ARG  48  -6.833   7.729   3.979
  351    HG2  ARG  48           HG2      ARG  48  -7.867   9.894   4.489
  352    HG3  ARG  48           HG3      ARG  48  -8.454   9.222   6.015
  353    HD2  ARG  48           HD2      ARG  48  -6.201   8.804   6.751
  354    HD3  ARG  48           HD3      ARG  48  -5.565   9.314   5.189
  355    HE   ARG  48           HE       ARG  48  -6.958  11.484   6.082
  356   HH11  ARG  48          HH11      ARG  48  -4.401   9.491   7.381
  357   HH12  ARG  48          HH12      ARG  48  -3.669  10.772   8.297
  358   HH21  ARG  48          HH22      ARG  48  -6.012  13.194   7.284
  359   HH22  ARG  48          HH21      ARG  48  -4.598  12.883   8.255
  360    H    THR  49           H        THR  49  -7.693   7.703   1.737
  361    HA   THR  49           HA       THR  49  -9.208  10.128   1.040
  362    HB   THR  49           HB       THR  49  -7.062  10.903   1.288
  363    HG1  THR  49           HG1      THR  49  -7.468  10.169  -1.401
  364   HG21  THR  49          HG21      THR  49  -5.025   9.727   0.664
  365   HG22  THR  49          HG22      THR  49  -5.983   8.393   0.020
  366   HG23  THR  49          HG23      THR  49  -6.016   8.748   1.749
  367    H    LYS  50           H        LYS  50  -8.907   6.958   0.215
  368    HA   LYS  50           HA       LYS  50  -9.709   5.677  -1.454
  369    HB2  LYS  50           HB2      LYS  50 -11.275   8.134  -2.244
  370    HB3  LYS  50           HB3      LYS  50 -11.641   6.475  -2.686
  371    HG2  LYS  50           HG2      LYS  50 -11.908   7.811  -0.018
  372    HG3  LYS  50           HG3      LYS  50 -13.138   6.990  -0.972
  373    HD2  LYS  50           HD2      LYS  50 -10.846   5.731   0.534
  374    HD3  LYS  50           HD3      LYS  50 -12.563   5.613   0.912
  375    HE2  LYS  50           HE2      LYS  50 -11.235   4.533  -1.568
  376    HE3  LYS  50           HE3      LYS  50 -11.672   3.579  -0.155
  377    HZ1  LYS  50           HZ1      LYS  50 -13.563   5.021  -1.943
  378    HZ2  LYS  50           HZ2      LYS  50 -14.002   4.181  -0.536
  379    HZ3  LYS  50           HZ3      LYS  50 -13.341   3.345  -1.849
  380    H    GLN  51           H        GLN  51  -7.244   7.024  -2.008
  381    HA   GLN  51           HA       GLN  51  -7.395   7.612  -4.855
  382    HB2  GLN  51           HB2      GLN  51  -4.756   7.685  -4.385
  383    HB3  GLN  51           HB3      GLN  51  -5.812   9.060  -4.105
  384    HG2  GLN  51           HG2      GLN  51  -5.902   8.591  -1.767
  385    HG3  GLN  51           HG3      GLN  51  -5.038   7.075  -1.989
  386   HE21  GLN  51          HE22      GLN  51  -4.205  10.004  -3.691
  387   HE22  GLN  51          HE21      GLN  51  -2.702  10.277  -2.883
  388    H    PHE  52           H        PHE  52  -6.294   6.400  -6.419
  389    HA   PHE  52           HA       PHE  52  -6.002   3.579  -5.618
  390    HB2  PHE  52           HB2      PHE  52  -7.949   3.831  -6.966
  391    HB3  PHE  52           HB3      PHE  52  -7.103   4.846  -8.123
  392    HD1  PHE  52           HD2      PHE  52  -6.852   1.394  -6.694
  393    HD2  PHE  52           HD1      PHE  52  -6.518   3.907 -10.112
  394    HE1  PHE  52           HE2      PHE  52  -6.413  -0.574  -8.096
  395    HE2  PHE  52           HE1      PHE  52  -6.075   1.943 -11.521
  396    HZ   PHE  52           HZ       PHE  52  -6.022  -0.305 -10.514
  397    H    GLY  53           H        GLY  53  -4.188   2.523  -6.093
  398    HA2  GLY  53           HA2      GLY  53  -2.600   2.964  -8.368
  399    HA3  GLY  53           HA3      GLY  53  -1.869   3.817  -7.016
  400    H    THR  54           H        THR  54  -0.077   2.462  -7.203
  401    HA   THR  54           HA       THR  54  -0.491  -0.312  -6.326
  402    HB   THR  54           HB       THR  54   0.749  -0.289  -8.349
  403    HG1  THR  54           HG1      THR  54   2.550  -0.529  -6.156
  404   HG21  THR  54          HG21      THR  54   2.984   1.064  -8.357
  405   HG22  THR  54          HG22      THR  54   2.170   2.036  -7.125
  406   HG23  THR  54          HG23      THR  54   1.460   1.868  -8.733
  407    H    PHE  55           H        PHE  55   0.629  -1.085  -4.521
  408    HA   PHE  55           HA       PHE  55   2.319   0.777  -3.063
  409    HB2  PHE  55           HB2      PHE  55   1.096   0.654  -1.005
  410    HB3  PHE  55           HB3      PHE  55  -0.034   1.151  -2.254
  411    HD1  PHE  55           HD1      PHE  55  -1.482  -0.704  -3.307
  412    HD2  PHE  55           HD2      PHE  55   0.607  -1.135   0.373
  413    HE1  PHE  55           HE1      PHE  55  -2.970  -2.568  -2.683
  414    HE2  PHE  55           HE2      PHE  55  -0.870  -2.997   1.004
  415    HZ   PHE  55           HZ       PHE  55  -2.663  -3.717  -0.526
  416    HA   PRO  56           HA       PRO  56   4.514  -2.995  -2.297
  417    HB2  PRO  56           HB3      PRO  56   5.648  -1.539  -0.002
  418    HB3  PRO  56           HB2      PRO  56   6.464  -2.236  -1.403
  419    HG2  PRO  56           HG2      PRO  56   6.192   0.419  -1.091
  420    HG3  PRO  56           HG3      PRO  56   6.163  -0.349  -2.687
  421    HD2  PRO  56           HD2      PRO  56   3.890   0.677  -1.033
  422    HD3  PRO  56           HD3      PRO  56   4.129   0.741  -2.792
  423    H    GLY  57           H        GLY  57   3.259  -4.569  -1.422
  424    HA2  GLY  57           HA2      GLY  57   1.789  -4.200   1.023
  425    HA3  GLY  57           HA3      GLY  57   1.924  -5.699   0.118
  426    H    ASN  58           H        ASN  58   4.572  -3.770   1.260
  427    HA   ASN  58           HA       ASN  58   5.549  -5.989   2.906
  428    HB2  ASN  58           HB2      ASN  58   6.987  -5.016   1.078
  429    HB3  ASN  58           HB3      ASN  58   6.969  -3.487   1.947
  430   HD21  ASN  58          HD22      ASN  58   7.201  -6.690   3.411
  431   HD22  ASN  58          HD21      ASN  58   8.804  -6.468   4.031
  432    H    TYR  59           H        TYR  59   4.031  -2.989   3.029
  433    HA   TYR  59           HA       TYR  59   4.945  -2.442   5.782
  434    HB2  TYR  59           HB2      TYR  59   3.858  -0.437   3.801
  435    HB3  TYR  59           HB3      TYR  59   4.627  -0.101   5.346
  436    HD1  TYR  59           HD2      TYR  59   7.103  -0.912   5.574
  437    HD2  TYR  59           HD1      TYR  59   5.111  -0.375   1.859
  438    HE1  TYR  59           HE2      TYR  59   9.278  -0.771   4.437
  439    HE2  TYR  59           HE1      TYR  59   7.276  -0.236   0.707
  440    HH   TYR  59           HH       TYR  59  10.197  -1.134   2.173
  441    H    VAL  60           H        VAL  60   2.649  -4.077   4.726
  442    HA   VAL  60           HA       VAL  60   0.511  -2.713   6.165
  443    HB   VAL  60           HB       VAL  60  -1.161  -3.381   4.422
  444   HG11  VAL  60          HG11      VAL  60   0.924  -1.524   3.293
  445   HG12  VAL  60          HG12      VAL  60  -0.114  -1.078   4.647
  446   HG13  VAL  60          HG13      VAL  60  -0.826  -1.465   3.075
  447   HG21  VAL  60          HG21      VAL  60   1.337  -3.998   2.854
  448   HG22  VAL  60          HG22      VAL  60  -0.247  -3.747   2.116
  449   HG23  VAL  60          HG23      VAL  60   0.000  -5.082   3.239
  450    H    LYS  61           H        LYS  61  -1.235  -4.156   6.772
  451    HA   LYS  61           HA       LYS  61  -0.258  -6.900   7.147
  452    HB2  LYS  61           HB2      LYS  61  -0.972  -6.775   9.471
  453    HB3  LYS  61           HB3      LYS  61   0.218  -5.540   9.103
  454    HG2  LYS  61           HG2      LYS  61  -2.028  -4.125   8.680
  455    HG3  LYS  61           HG3      LYS  61  -2.613  -5.273   9.883
  456    HD2  LYS  61           HD2      LYS  61  -0.375  -3.284  10.123
  457    HD3  LYS  61           HD3      LYS  61  -1.843  -3.401  11.091
  458    HE2  LYS  61           HE2      LYS  61   0.455  -5.349  11.071
  459    HE3  LYS  61           HE3      LYS  61   0.089  -4.179  12.339
  460    HZ1  LYS  61           HZ1      LYS  61  -1.484  -6.581  11.589
  461    HZ2  LYS  61           HZ2      LYS  61  -2.099  -5.351  12.586
  462    HZ3  LYS  61           HZ3      LYS  61  -0.740  -6.237  13.071
  463    HA   PRO  62           HA       PRO  62  -4.170  -8.130   5.557
  464    HB2  PRO  62           HB3      PRO  62  -3.903 -10.465   7.348
  465    HB3  PRO  62           HB2      PRO  62  -4.086 -10.407   5.595
  466    HG2  PRO  62           HG2      PRO  62  -1.744 -11.028   6.725
  467    HG3  PRO  62           HG3      PRO  62  -1.827 -10.064   5.238
  468    HD2  PRO  62           HD2      PRO  62  -1.319  -9.181   8.048
  469    HD3  PRO  62           HD3      PRO  62  -0.594  -8.608   6.532
  470    H    LEU  63           H        LEU  63  -6.145  -7.553   6.104
  471    HA   LEU  63           HA       LEU  63  -6.894  -7.480   8.944
  472    HB2  LEU  63           HB2      LEU  63  -8.162  -6.171   6.534
  473    HB3  LEU  63           HB3      LEU  63  -8.743  -6.022   8.181
  474    HG   LEU  63           HG       LEU  63  -6.053  -5.057   7.219
  475   HD11  LEU  63          HD11      LEU  63  -8.520  -3.467   7.889
  476   HD12  LEU  63          HD12      LEU  63  -8.000  -3.868   6.254
  477   HD13  LEU  63          HD13      LEU  63  -6.982  -2.852   7.276
  478   HD21  LEU  63          HD21      LEU  63  -6.096  -5.662   9.591
  479   HD22  LEU  63          HD22      LEU  63  -7.515  -4.641   9.828
  480   HD23  LEU  63          HD23      LEU  63  -5.971  -3.915   9.379
  481    H    TYR  64           H        TYR  64  -9.660  -7.495   8.588
  482    HA   TYR  64           HA       TYR  64 -10.073 -10.324   7.964
  483    HB2  TYR  64           HB2      TYR  64 -11.757  -8.345   9.507
  484    HB3  TYR  64           HB3      TYR  64 -12.243 -10.005   9.183
  485    HD1  TYR  64           HD2      TYR  64 -10.986 -11.878  10.209
  486    HD2  TYR  64           HD1      TYR  64 -10.182  -7.828  11.227
  487    HE1  TYR  64           HE2      TYR  64  -9.809 -12.629  12.230
  488    HE2  TYR  64           HE1      TYR  64  -9.001  -8.564  13.256
  489    HH   TYR  64           HH       TYR  64  -9.070 -10.633  14.778
  490    H    LEU  65           H        LEU  65 -10.212  -7.557   6.333
  491    HA   LEU  65           HA       LEU  65 -12.753  -8.011   4.989
  492    HB2  LEU  65           HB2      LEU  65 -10.649  -5.893   4.535
  493    HB3  LEU  65           HB3      LEU  65 -12.222  -5.947   3.771
  494    HG   LEU  65           HG       LEU  65 -11.708  -5.544   6.719
  495   HD11  LEU  65          HD11      LEU  65 -12.580  -3.285   6.308
  496   HD12  LEU  65          HD12      LEU  65 -12.638  -3.635   4.580
  497   HD13  LEU  65          HD13      LEU  65 -11.088  -3.599   5.421
  498   HD21  LEU  65          HD21      LEU  65 -14.098  -5.137   6.896
  499   HD22  LEU  65          HD22      LEU  65 -13.787  -6.763   6.289
  500   HD23  LEU  65          HD23      LEU  65 -14.301  -5.493   5.180