*HEADER    PEPTIDE BINDING PROTEIN                 11-FEB-11   2L9I              
*TITLE     NMR STRUCTURE OF THYMOSIN ALPHA-1                                     
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: THYMOSIN ALPHA-1;                                          
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   4 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   5 ORGANISM_TAXID: 9606;                                                
*SOURCE   6 OTHER_DETAILS: THE PROTEIN WAS MADE ON A PROTEIN SYNTHESIZER.        
*KEYWDS    LYMPHOCYTE MEMBRANE BINDING PEPTIDE, T-CELL DIFFERENTIATION,          
*KEYWDS   2 IMMUNOPOTENTIATION, TRANSCRIPTION, PEPTIDE BINDING PROTEIN           
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    21                                                                    
*AUTHOR    M.A.ELIZONDO-RIOJAS, D.G.GORENSTEIN, D.E.VOLK                         
*REVDAT   1   28-DEC-11 2L9I    0                                                



#
# 2 SER HN 2 SER HA 5.92546  (# 119 8.150 4.483 9.426 28.803 SER 1 HN SER 1 HA 0.494E+07)
 &rst
  ixpk= 119, nxpk= 0, iat=   8,  10, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43, 
      rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
 &end
#
# 2 SER HN 2 SER HB+ 6.10253  (# 246 8.150 3.979 8.723 12.488 SER 1 HN SER 1 HB+ 0.414E+07)
 &rst
  ixpk= 246, nxpk= 0, iat=   8,  -1, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
 igr2=  12,  13,
 &end
#
# 2 SER HN 3 ASP HN 4.94634  (# 224 8.147 8.470 8.311 14.189 SER 1 HN ASP 2 HN 0.146E+08)
 &rst
  ixpk= 224, nxpk= 0, iat=   8,  19, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,  &end
#
# 3 ASP HA 6 VAL QG1 4.78863  (# 433 4.670 0.999 20.283 18.627 ASP 2 HA VAL 5 QG1 1.77333e+07)
 &rst
  ixpk= 433, nxpk= 0, iat=  21,  -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
 igr2=  57,  58,  59,
 &end
#
# 3 ASP HN 2 SER HA 4.10175  (# 50 8.465 4.492 16.738 20.070 ASP 2 HN SER 1 HA 0.449E+08)
 &rst
  ixpk= 50, nxpk= 0, iat=  19,  10, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
# 3 ASP HN 2 SER HB+ 5.29701  (# 237 8.469 3.980 11.469 19.400 ASP 2 HN SER 1 HB+ 0.968E+07)
 &rst
  ixpk= 237, nxpk= 0, iat=  19,  -1, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
 igr2=  12,  13,
 &end
#
# 3 ASP HN 2 SER HB- 6.06408  (# 238 8.469 3.888 12.713 12.041 ASP 2 HN SER 1 HB- 0.430E+07)
 &rst
  ixpk= 238, nxpk= 0, iat=  19,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr2=  12,  13,
 &end
#
# 3 ASP HN 3 ASP HA 5.60177  (# 239 8.463 4.671 6.139 18.873 ASP 2 HN ASP 2 HA 0.692E+07)
 &rst
  ixpk= 239, nxpk= 0, iat=  19,  21, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
# 3 ASP HN 3 ASP HB- 4.2046  (# 52 8.467 2.769 12.008 22.887 ASP 2 HN ASP 2 HB- 0.387E+08)
 &rst
  ixpk= 52, nxpk= 0, iat=  19,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=  23,  24,
 &end
#
# 3 ASP HN 3 ASP HB+ 4.30267  (# 51 8.469 2.819 13.699 20.740 ASP 2 HN ASP 2 HB+ 0.337E+08)
 &rst
  ixpk= 51, nxpk= 0, iat=  19,  -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr2=  23,  24,
 &end
#
# 3 ASP HN 4 ALA QB 8.50907  (# 256 8.464 1.469 15.658 18.979 ASP 2 HN ALA 3 QB 563333)
 &rst
  ixpk= 256, nxpk= 0, iat=  19,  -1, r1= 1.30, r2= 1.80, r3=10.22, r4=10.72,
 igr2=  35,  36,  37,
 &end
#
# 3 ASP HN 6 VAL QG2 8.50071  (# 447 8.465 1.032 4.789 10.750 ASP 2 HN VAL 5 QG2 566667)
 &rst
  ixpk= 447, nxpk= 0, iat=  19,  -1, r1= 1.30, r2= 1.80, r3=10.21, r4=10.71,
 igr2=  61,  62,  63,
 &end
#
# 4 ALA HA 3 ASP HB- 4.77232  (# 352 4.336 2.830 15.471 22.406 ALA 3 HA ASP 2 HB- 0.181E+08)
 &rst
  ixpk= 352, nxpk= 0, iat=  33,  -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
 igr2=  23,  24,
 &end
#
# 4 ALA HA 4 ALA QB 4.3669  (# 353 4.324 1.470 12.760 10.645 ALA 3 HA ALA 3 QB 3.08333e+07)
 &rst
  ixpk= 353, nxpk= 0, iat=  33,  -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr2=  35,  36,  37,
 &end
#
# 4 ALA HN 3 ASP HB- 4.6302  (# 128 8.127 2.775 13.193 19.707 ALA 3 HN ASP 2 HB- 0.217E+08)
 &rst
  ixpk= 128, nxpk= 0, iat=  31,  -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
 igr2=  23,  24,
 &end
#
# 4 ALA HN 3 ASP HB+ 5.11782  (# 286 8.127 2.815 13.357 17.160 ALA 3 HN ASP 2 HB+ 0.119E+08)
 &rst
  ixpk= 286, nxpk= 0, iat=  31,  -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
 igr2=  23,  24,
 &end
#
# 4 ALA HN 3 ASP HN 4.22298  (# 25 8.125 8.470 11.328 16.373 ALA 3 HN ASP 2 HN 0.377E+08)
 &rst
  ixpk= 25, nxpk= 0, iat=  31,  19, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,  &end
#
# 4 ALA HN 4 ALA HA 3.2855  (# 127 8.127 4.334 9.004 16.900 ALA 3 HN ALA 3 HA 0.170E+09)
 &rst
  ixpk= 127, nxpk= 0, iat=  31,  33, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,  &end
#
# 4 ALA HN 4 ALA QB 3.87321  (# 129 8.125 1.466 7.348 14.930 ALA 3 HN ALA 3 QB 6.33333E+07)
 &rst
  ixpk= 129, nxpk= 0, iat=  31,  -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr2=  35,  36,  37,
 &end
#
# 5 ALA HA 5 ALA QB 3.57553  (# 351 4.358 1.488 17.689 13.674 ALA 4 HA ALA 4 QB 1.02333e+08)
 &rst
  ixpk= 351, nxpk= 0, iat=  43,  -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
 igr2=  45,  46,  47,
 &end
#
# 5 ALA HN 5 ALA HA 3.23952  (# 130 8.116 4.349 8.334 20.857 ALA 4 HN ALA 4 HA 0.185E+09)
 &rst
  ixpk= 130, nxpk= 0, iat=  41,  43, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,  &end
#
# 5 ALA HN 5 ALA QB 3.74105  (# 131 8.116 1.486 9.180 14.930 ALA 4 HN ALA 4 QB 78000000)
 &rst
  ixpk= 131, nxpk= 0, iat=  41,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=  45,  46,  47,
 &end
#
# 5 ALA HN 6 VAL HN 3.64884  (# 27 8.115 7.841 17.043 19.365 ALA 4 HN VAL 5 HN 0.906E+08)
 &rst
  ixpk= 27, nxpk= 0, iat=  41,  51, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,  &end
#
# 6 VAL HA 6 VAL HB 3.45826  (# 411 4.089 2.172 15.904 25.775 VAL 5 HA VAL 5 HB 0.125E+09)
 &rst
  ixpk= 411, nxpk= 0, iat=  53,  55, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,  &end
#
# 6 VAL HA 6 VAL QG1 4.10022  (# 413 4.089 0.999 15.084 12.512 VAL 5 HA VAL 5 QG1 45000000)
 &rst
  ixpk= 413, nxpk= 0, iat=  53,  -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
 igr2=  57,  58,  59,
 &end
#
# 6 VAL HA 6 VAL QG2 4.17001  (# 412 4.090 1.027 11.891 15.023 VAL 5 HA VAL 5 QG2 4.06667e+07)
 &rst
  ixpk= 412, nxpk= 0, iat=  53,  -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
 igr2=  61,  62,  63,
 &end
#
# 6 VAL HB 6 VAL QG1 3.5204  (# 514 2.174 0.999 29.273 17.195 VAL 5 HB VAL 5 QG1 1.12333e+08)
 &rst
  ixpk= 514, nxpk= 0, iat=  55,  -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
 igr2=  57,  58,  59,
 &end
#
# 6 VAL HB 6 VAL QG2 4.79013  (# 513 2.172 1.045 23.875 11.654 VAL 5 HB VAL 5 QG2 17700000)
 &rst
  ixpk= 513, nxpk= 0, iat=  55,  -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
 igr2=  61,  62,  63,
 &end
#
# 6 VAL HN 4 ALA QB 6.48678  (# 284 7.840 1.461 8.053 7.123 VAL 5 HN ALA 3 QB 2870000)
 &rst
  ixpk= 284, nxpk= 0, iat=  51,  -1, r1= 1.30, r2= 1.80, r3= 7.79, r4= 8.29,
 igr2=  35,  36,  37,
 &end
#
# 6 VAL HN 5 ALA HA 3.4966  (# 194 7.838 4.355 15.541 23.604 VAL 5 HN ALA 4 HA 0.117E+09)
 &rst
  ixpk= 194, nxpk= 0, iat=  51,  43, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 6 VAL HN 5 ALA HN 3.82852  (# 46 7.843 8.118 15.846 18.275 VAL 5 HN ALA 4 HN 0.679E+08)
 &rst
  ixpk= 46, nxpk= 0, iat=  51,  41, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,  &end
#
# 6 VAL HN 5 ALA QB 4.6962  (# 197 7.843 1.488 16.527 19.531 VAL 5 HN ALA 4 QB 1.99333E+07)
 &rst
  ixpk= 197, nxpk= 0, iat=  51,  -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
 igr2=  45,  46,  47,
 &end
#
# 6 VAL HN 6 VAL HA 3.8705  (# 198 7.838 4.089 10.588 16.385 VAL 5 HN VAL 5 HA 0.636E+08)
 &rst
  ixpk= 198, nxpk= 0, iat=  51,  53, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,  &end
#
# 6 VAL HN 6 VAL HB 3.49164  (# 196 7.842 2.173 16.621 27.066 VAL 5 HN VAL 5 HB 0.118E+09)
 &rst
  ixpk= 196, nxpk= 0, iat=  51,  55, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,  &end
#
# 6 VAL HN 6 VAL QG1 5.23684  (# 480 7.840 0.997 14.156 11.033 VAL 5 HN VAL 5 QG1 1.03667e+07)
 &rst
  ixpk= 480, nxpk= 0, iat=  51,  -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
 igr2=  57,  58,  59,
 &end
#
# 6 VAL HN 6 VAL QG2 4.25559  (# 479 7.844 1.027 20.225 14.602 VAL 5 HN VAL 5 QG2 36000000)
 &rst
  ixpk= 479, nxpk= 0, iat=  51,  -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
 igr2=  61,  62,  63,
 &end
#
# 6 VAL HN 7 ASP HN 3.81921  (# 45 7.843 8.370 16.457 18.463 VAL 5 HN ASP 6 HN 0.689E+08)
 &rst
  ixpk= 45, nxpk= 0, iat=  51,  67, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,  &end
#
# 6 VAL HN 8 THR HN 8.61783  (# 233 7.838 8.246 12.502 14.941 VAL 5 HN THR 7 HN 0.522E+06)
 &rst
  ixpk= 233, nxpk= 0, iat=  51,  79, r1= 1.30, r2= 1.80, r3= 8.62, r4= 9.12,  &end
#
# 7 ASP HB- 6 VAL QG2 7.33764  (# 551 2.834 1.020 7.008 14.061 ASP 6 HB- VAL 5 QG2 1370000)
 &rst
  ixpk= 551, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.89, r4=10.39,
 igr1=  71,  72,
 igr2=  61,  62,  63,
 &end
#
# 7 ASP HN 3 ASP HA 5.21746  (# 244 8.366 4.678 8.451 15.234 ASP 6 HN ASP 2 HA 0.106E+08)
 &rst
  ixpk= 244, nxpk= 0, iat=  67,  21, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,  &end
#
# 7 ASP HN 4 ALA HA 4.93514  (# 243 8.368 4.338 10.916 24.367 ASP 6 HN ALA 3 HA 0.148E+08)
 &rst
  ixpk= 243, nxpk= 0, iat=  67,  33, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,  &end
#
# 7 ASP HN 4 ALA QB 7.98755  (# 265 8.367 1.463 6.762 6.842 ASP 6 HN ALA 3 QB 823333)
 &rst
  ixpk= 265, nxpk= 0, iat=  67,  -1, r1= 1.30, r2= 1.80, r3= 9.59, r4=10.09,
 igr2=  35,  36,  37,
 &end
#
# 7 ASP HN 5 ALA HN 5.11782  (# 234 8.367 8.116 10.283 16.900 ASP 6 HN ALA 4 HN 0.119E+08)
 &rst
  ixpk= 234, nxpk= 0, iat=  67,  41, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,  &end
#
# 7 ASP HN 5 ALA QB 6.41901  (# 263 8.367 1.487 11.797 14.318 ASP 6 HN ALA 4 QB 3.05667E+06)
 &rst
  ixpk= 263, nxpk= 0, iat=  67,  -1, r1= 1.30, r2= 1.80, r3= 7.71, r4= 8.21,
 igr2=  45,  46,  47,
 &end
#
# 7 ASP HN 6 VAL HA 3.21398  (# 60 8.369 4.086 14.180 22.090 ASP 6 HN VAL 5 HA 0.194E+09)
 &rst
  ixpk= 60, nxpk= 0, iat=  67,  53, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71,  &end
#
# 7 ASP HN 6 VAL HB 3.86847  (# 63 8.368 2.174 14.039 27.242 ASP 6 HN VAL 5 HB 0.638E+08)
 &rst
  ixpk= 63, nxpk= 0, iat=  67,  55, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,  &end
#
# 7 ASP HN 6 VAL HN 3.71227  (# 6 8.370 7.842 14.131 19.365 ASP 6 HN VAL 5 HN 0.817E+08)
 &rst
  ixpk= 6, nxpk= 0, iat=  67,  51, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,  &end
#
# 7 ASP HN 6 VAL QG1 4.85307  (# 450 8.367 0.999 13.746 23.051 ASP 6 HN VAL 5 QG1 1.63667e+07)
 &rst
  ixpk= 450, nxpk= 0, iat=  67,  -1, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
 igr2=  57,  58,  59,
 &end
#
# 7 ASP HN 6 VAL QG2 5.29822  (# 449 8.367 1.029 13.746 14.506 ASP 6 HN VAL 5 QG2 9.66667e+06)
 &rst
  ixpk= 449, nxpk= 0, iat=  67,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr2=  61,  62,  63,
 &end
#
# 7 ASP HN 7 ASP HA 4.27765  (# 59 8.366 4.750 9.426 17.699 ASP 6 HN ASP 6 HA 0.349E+08)
 &rst
  ixpk= 59, nxpk= 0, iat=  67,  69, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,  &end
#
# 7 ASP HN 7 ASP HB- 3.51177  (# 62 8.368 2.833 14.039 30.363 ASP 6 HN ASP 6 HB- 0.114E+09)
 &rst
  ixpk= 62, nxpk= 0, iat=  67,  -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
 igr2=  71,  72,
 &end
#
# 7 ASP HN 7 ASP HB+ 3.62075  (# 61 8.368 2.911 14.180 30.363 ASP 6 HN ASP 6 HB+ 0.949E+08)
 &rst
  ixpk= 61, nxpk= 0, iat=  67,  -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
 igr2=  71,  72,
 &end
#
# 7 ASP HN 8 THR HN 3.29526  (# 5 8.366 8.247 17.479 24.660 ASP 6 HN THR 7 HN 0.167E+09)
 &rst
  ixpk= 5, nxpk= 0, iat=  67,  79, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 7 ASP HN 8 THR QG2 8.04276  (# 264 8.368 1.315 8.604 12.453 ASP 6 HN THR 7 QG2 790000)
 &rst
  ixpk= 264, nxpk= 0, iat=  67,  -1, r1= 1.30, r2= 1.80, r3= 9.66, r4=10.16,
 igr2=  85,  86,  87,
 &end
#
# 8 THR HA 8 THR QG2 3.48026  (# 327 4.425 1.314 21.387 23.838 THR 7 HA THR 7 QG2 1.20333E+08)
 &rst
  ixpk= 327, nxpk= 0, iat=  81,  -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
 igr2=  85,  86,  87,
 &end
#
# 8 THR HB 8 THR QG2 4.01997  (# 360 4.291 1.315 15.705 18.439 THR 7 HB THR 7 QG2 5.06667e+07)
 &rst
  ixpk= 360, nxpk= 0, iat=  83,  -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr2=  85,  86,  87,
 &end
#
# 8 THR HN 4 ALA HA 4.17115  (# 85 8.245 4.358 10.588 23.756 THR 7 HN ALA 3 HA 0.406E+08)
 &rst
  ixpk= 85, nxpk= 0, iat=  79,  33, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,  &end
#
# 8 THR HN 6 VAL HN 5.44222  (# 232 8.244 7.839 6.844 17.312 THR 7 HN VAL 5 HN 0.823E+07)
 &rst
  ixpk= 232, nxpk= 0, iat=  79,  51, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,  &end
#
# 8 THR HN 7 ASP HA 3.77743  (# 82 8.245 4.751 15.541 22.770 THR 7 HN ASP 6 HA 0.736E+08)
 &rst
  ixpk= 82, nxpk= 0, iat=  79,  69, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,  &end
#
# 8 THR HN 7 ASP HB- 3.96177  (# 92 8.246 2.836 17.184 24.484 THR 7 HN ASP 6 HB- 0.553E+08)
 &rst
  ixpk= 92, nxpk= 0, iat=  79,  -1, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
 igr2=  71,  72,
 &end
#
# 8 THR HN 7 ASP HB+ 4.32653  (# 91 8.245 2.910 14.730 29.719 THR 7 HN ASP 6 HB+ 0.326E+08)
 &rst
  ixpk= 91, nxpk= 0, iat=  79,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr2=  71,  72,
 &end
#
# 8 THR HN 7 ASP HN 4.07934  (# 12 8.247 8.368 12.289 18.439 THR 7 HN ASP 6 HN 0.464E+08)
 &rst
  ixpk= 12, nxpk= 0, iat=  79,  67, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,  &end
#
# 8 THR HN 8 THR HA 3.6455  (# 84 8.245 4.413 15.801 21.938 THR 7 HN THR 7 HA 0.911E+08)
 &rst
  ixpk= 84, nxpk= 0, iat=  79,  81, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,  &end
#
# 8 THR HN 8 THR QG2 4.37243  (# 86 8.243 4.297 11.809 17.055 THR 7 HN THR 7 QG2 30600000)
 &rst
  ixpk= 86, nxpk= 0, iat=  79,  -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
 igr2=  85,  86,  87,
 &end
#
# 8 THR HN 8 THR QG2 4.57128  (# 99 8.244 1.315 15.225 20.129 THR 7 HN THR 7 QG2 2.34333E+07)
 &rst
  ixpk= 99, nxpk= 0, iat=  79,  -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
 igr2=  85,  86,  87,
 &end
#
# 8 THR HN 9 SER HN 3.61569  (# 13 8.246 8.419 15.764 18.416 THR 7 HN SER 8 HN 0.957E+08)
 &rst
  ixpk= 13, nxpk= 0, iat=  79,  93, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12,  &end
#
# 9 SER HA 12 ILE HY 6.49182  (# 434 4.430 1.015 13.193 11.502 SER 8 HA ILE 11 HY 2.85667e+06)
 &rst
  ixpk= 434, nxpk= 0, iat=  95,  -1, r1= 1.30, r2= 1.80, r3= 7.80, r4= 8.30,
 igr2= 134, 140, 141,
 &end
#
# 9 SER HN 10 SER HN 3.32935  (# 3 8.418 8.302 14.838 21.396 SER 8 HN SER 9 HN 0.157E+09)
 &rst
  ixpk= 3, nxpk= 0, iat=  93, 104, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,  &end
#
# 9 SER HN 11 GLU HB+ 6.93627  (# 259 8.417 2.208 9.789 27.348 SER 8 HN GLU 10 HB+ 0.192E+07)
 &rst
  ixpk= 259, nxpk= 0, iat=  93,  -1, r1= 1.30, r2= 1.80, r3= 7.79, r4= 8.29,
 igr2= 119, 120,
 &end
#
# 9 SER HN 12 ILE HY 6.47928  (# 260 8.418 2.000 11.422 21.490 SER 8 HN ILE 11 HY 0.289E+07)
 &rst
  ixpk= 260, nxpk= 0, iat=  93,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr2= 134, 140, 141,
 &end
#
# 9 SER HN 12 ILE QD 6.39711  (# 448 8.419 0.935 8.957 18.156 SER 8 HN ILE 11 QD 0.312E+07)
 &rst
  ixpk= 448, nxpk= 0, iat=  93,  -1, r1= 1.30, r2= 1.80, r3= 7.68, r4= 8.18,
 igr2= 143, 144, 145,
 &end
#
# 9 SER HN 6 VAL QG1 8.58704  (# 486 8.416 1.003 7.090 12.266 SER 8 HN VAL 5 QG1 533333)
 &rst
  ixpk= 486, nxpk= 0, iat=  93,  -1, r1= 1.30, r2= 1.80, r3=10.31, r4=10.81,
 igr2=  57,  58,  59,
 &end
#
# 9 SER HN 7 ASP HB- 5.94364  (# 258 8.417 2.830 11.598 40.012 SER 8 HN ASP 6 HB- 0.485E+07)
 &rst
  ixpk= 258, nxpk= 0, iat=  93,  -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
 igr2=  71,  72,
 &end
#
# 9 SER HN 7 ASP HB+ 6.41088  (# 257 8.418 2.919 11.598 28.428 SER 8 HN ASP 6 HB+ 0.308E+07)
 &rst
  ixpk= 257, nxpk= 0, iat=  93,  -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
 igr2=  71,  72,
 &end
#
# 9 SER HN 8 THR HA 4.00389  (# 53 8.417 4.413 14.754 13.062 SER 8 HN THR 7 HA 0.519E+08)
 &rst
  ixpk= 53, nxpk= 0, iat=  93,  81, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 9 SER HN 8 THR HN 3.30861  (# 4 8.418 8.248 15.096 21.902 SER 8 HN THR 7 HN 0.163E+09)
 &rst
  ixpk= 4, nxpk= 0, iat=  93,  79, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81,  &end
#
# 9 SER HN 8 THR QG2 4.62902  (# 55 8.418 4.295 14.508 19.248 SER 8 HN THR 7 QG2 2.17333E+07)
 &rst
  ixpk= 55, nxpk= 0, iat=  93,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr2=  85,  86,  87,
 &end
#
# 9 SER HN 8 THR QG2 5.62273  (# 58 8.418 1.315 13.957 18.428 SER 8 HN THR 7 QG2 6.76667E+06)
 &rst
  ixpk= 58, nxpk= 0, iat=  93,  -1, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25,
 igr2=  85,  86,  87,
 &end
#
# 9 SER HN 9 SER HA 3.47229  (# 54 8.420 4.379 18.123 16.889 SER 8 HN SER 8 HA 0.122E+09)
 &rst
  ixpk= 54, nxpk= 0, iat=  93,  95, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97,  &end
#
# 9 SER HN 9 SER HB+ 3.50666  (# 56 8.418 4.068 14.730 19.342 SER 8 HN SER 8 HB+ 0.115E+09)
 &rst
  ixpk= 56, nxpk= 0, iat=  93,  -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
 igr2=  97,  98,
 &end
#
# 10 SER HN 10 SER HA 3.61506  (# 64 8.306 4.442 14.121 19.801 SER 9 HN SER 9 HA 0.958E+08)
 &rst
  ixpk= 64, nxpk= 0, iat= 104, 106, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12,  &end
#
# 10 SER HN 10 SER HB+ 3.34008  (# 67 8.301 4.062 12.854 20.658 SER 9 HN SER 9 HB+ 0.154E+09)
 &rst
  ixpk= 67, nxpk= 0, iat= 104,  -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
 igr2= 108, 109,
 &end
#
# 10 SER HN 10 SER HB- 3.57747  (# 68 8.301 4.004 12.432 21.525 SER 9 HN SER 9 HB- 0.102E+09)
 &rst
  ixpk= 68, nxpk= 0, iat= 104,  -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
 igr2= 108, 109,
 &end
#
# 10 SER HN 8 THR QG2 5.2066  (# 66 8.299 4.298 8.428 23.240 SER 9 HN THR 7 QG2 1.07333E+07)
 &rst
  ixpk= 66, nxpk= 0, iat= 104,  -1, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
 igr2=  85,  86,  87,
 &end
#
# 10 SER HN 8 THR QG2 7.45725  (# 267 8.301 1.315 8.945 13.428 SER 9 HN THR 7 QG2 1.24333E+06)
 &rst
  ixpk= 267, nxpk= 0, iat= 104,  -1, r1= 1.30, r2= 1.80, r3= 8.96, r4= 9.46,
 igr2=  85,  86,  87,
 &end
#
# 10 SER HN 9 SER HA 3.5893  (# 65 8.301 4.378 16.234 20.658 SER 9 HN SER 8 HA 0.100E+09)
 &rst
  ixpk= 65, nxpk= 0, iat= 104,  95, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,  &end
#
# 10 SER HN 9 SER HN 3.4966  (# 7 8.300 8.418 16.328 18.416 SER 9 HN SER 8 HN 0.117E+09)
 &rst
  ixpk= 7, nxpk= 0, iat= 104,  93, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 11 GLU HA 11 GLU HG- 3.74266  (# 366 4.258 2.445 23.828 24.344 GLU 10 HA GLU 10 HG- 0.778E+08)
 &rst
  ixpk= 366, nxpk= 0, iat= 117,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 122, 123,
 &end
#
# 11 GLU HA 11 GLU HG+ 3.95938  (# 365 4.260 2.492 20.318 27.125 GLU 10 HA GLU 10 HG+ 0.555E+08)
 &rst
  ixpk= 365, nxpk= 0, iat= 117,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr2= 122, 123,
 &end
#
# 11 GLU HA 11 GLU QB 2.62739  (# 373 4.250 2.213 31.539 25.035 GLU 10 HA GLU 10 QB 0.650E+09)
 &rst
  ixpk= 373, nxpk= 0, iat= 117,  -1, r1= 1.30, r2= 1.80, r3= 2.95, r4= 3.45,
 igr2= 119, 120,
 &end
#
# 11 GLU HN 10 SER HA 3.90719  (# 69 8.275 4.440 10.939 15.846 GLU 10 HN SER 9 HA 0.601E+08)
 &rst
  ixpk= 69, nxpk= 0, iat= 115, 106, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,  &end
#
# 11 GLU HN 10 SER HB+ 3.76979  (# 73 8.276 4.058 10.412 20.717 GLU 10 HN SER 9 HB+ 0.745E+08)
 &rst
  ixpk= 73, nxpk= 0, iat= 115,  -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
 igr2= 108, 109,
 &end
#
# 11 GLU HN 10 SER HB- 4.1048  (# 74 8.277 4.006 8.674 19.496 GLU 10 HN SER 9 HB- 0.447E+08)
 &rst
  ixpk= 74, nxpk= 0, iat= 115,  -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
 igr2= 108, 109,
 &end
#
# 11 GLU HN 11 GLU HA 3.3699  (# 76 8.274 4.260 14.062 20.717 GLU 10 HN GLU 10 HA 0.146E+09)
 &rst
  ixpk= 76, nxpk= 0, iat= 115, 117, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,  &end
#
# 11 GLU HN 11 GLU HG+ 3.68281  (# 80 8.275 2.444 19.908 26.713 GLU 10 HN GLU 10 HG+ 0.857E+08)
 &rst
  ixpk= 80, nxpk= 0, iat= 115,  -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
 igr2= 122, 123,
 &end
#
# 11 GLU HN 11 GLU HG+ 4.04244  (# 75 8.275 2.498 20.107 15.881 GLU 10 HN GLU 10 HG+ 0.490E+08)
 &rst
  ixpk= 75, nxpk= 0, iat= 115,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr2= 122, 123,
 &end
#
# 11 GLU HN 11 GLU QB 2.6568  (# 81 8.280 2.204 14.109 36.092 GLU 10 HN GLU 10 QB 0.608E+09)
 &rst
  ixpk= 81, nxpk= 0, iat= 115,  -1, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48,
 igr2= 119, 120,
 &end
#
# 11 GLU HN 12 ILE HN 3.20577  (# 8 8.275 8.089 12.912 19.377 GLU 10 HN ILE 11 HN 0.197E+09)
 &rst
  ixpk= 8, nxpk= 0, iat= 115, 130, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71,  &end
#
# 11 GLU HN 12 ILE HY 5.37877  (# 270 8.275 1.715 8.604 25.328 GLU 10 HN ILE 11 HY 0.883E+07)
 &rst
  ixpk= 270, nxpk= 0, iat= 115,  -1, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
 igr2= 134, 140, 141,
 &end
#
# 11 GLU HN 12 ILE QD 7.18052  (# 451 8.277 0.941 5.658 9.859 GLU 10 HN ILE 11 QD 0.156E+07)
 &rst
  ixpk= 451, nxpk= 0, iat= 115,  -1, r1= 1.30, r2= 1.80, r3= 8.62, r4= 9.12,
 igr2= 143, 144, 145,
 &end
#
# 11 GLU HN 8 THR QG2 5.2066  (# 71 8.276 4.296 10.072 11.572 GLU 10 HN THR 7 QG2 1.07333E+07)
 &rst
  ixpk= 71, nxpk= 0, iat= 115,  -1, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
 igr2=  85,  86,  87,
 &end
#
# 11 GLU HN 8 THR QG2 6.3494  (# 274 8.274 1.315 7.441 16.889 GLU 10 HN THR 7 QG2 3.26333E+06)
 &rst
  ixpk= 274, nxpk= 0, iat= 115,  -1, r1= 1.30, r2= 1.80, r3= 7.63, r4= 8.13,
 igr2=  85,  86,  87,
 &end
#
# 11 GLU HN 9 SER HA 4.47292  (# 70 8.276 4.380 9.895 15.846 GLU 10 HN SER 8 HA 0.267E+08)
 &rst
  ixpk= 70, nxpk= 0, iat= 115,  95, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,  &end
#
# 11 GLU QG 8 THR QG2 5.71558  (# 550 2.216 1.317 24.320 23.838 GLU 10 QG THR 7 QG2 6.13333e+06)
 &rst
  ixpk= 550, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.70, r4= 8.20,
 igr1= 122, 123,
 igr2=  85,  86,  87,
 &end
#
# 12 ILE HA 11 GLU QB 4.5922  (# 424 4.008 2.213 17.031 15.738 ILE 11 HA GLU 10 QB 0.228E+08)
 &rst
  ixpk= 424, nxpk= 0, iat= 132,  -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
 igr2= 119, 120,
 &end
#
# 12 ILE HA 12 ILE HY 3.07484  (# 423 4.007 1.996 18.123 29.719 ILE 11 HA ILE 11 HY 0.253E+09)
 &rst
  ixpk= 423, nxpk= 0, iat= 132,  -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
 igr2= 134, 140, 141,
 &end
#
# 12 ILE HA 12 ILE HY 3.49164  (# 426 4.009 1.299 22.514 33.744 ILE 11 HA ILE 11 HY 0.118E+09)
 &rst
  ixpk= 426, nxpk= 0, iat= 132,  -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
 igr2= 134, 140, 141,
 &end
#
# 12 ILE HA 12 ILE HY 3.67924  (# 425 4.008 1.713 17.525 27.971 ILE 11 HA ILE 11 HY 0.862E+08)
 &rst
  ixpk= 425, nxpk= 0, iat= 132,  -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
 igr2= 134, 140, 141,
 &end
#
# 12 ILE HA 12 ILE QD 4.2797  (# 428 4.008 0.937 23.346 19.637 ILE 11 HA ILE 11 QD 0.348E+08)
 &rst
  ixpk= 428, nxpk= 0, iat= 132,  -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr2= 143, 144, 145,
 &end
#
# 12 ILE HN 11 GLU HA 3.29526  (# 249 8.091 4.259 8.863 14.836 ILE 11 HN GLU 10 HA 0.167E+09)
 &rst
  ixpk= 249, nxpk= 0, iat= 130, 117, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 12 ILE HN 11 GLU HN 3.3437  (# 30 8.087 8.275 14.273 14.145 ILE 11 HN GLU 10 HN 0.153E+09)
 &rst
  ixpk= 30, nxpk= 0, iat= 130, 115, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,  &end
#
# 12 ILE HN 12 ILE HA 3.36227  (# 250 8.086 4.011 9.027 20.857 ILE 11 HN ILE 11 HA 0.148E+09)
 &rst
  ixpk= 250, nxpk= 0, iat= 130, 132, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,  &end
#
# 12 ILE HN 12 ILE HY 3.46757  (# 146 8.089 1.303 16.234 23.580 ILE 11 HN ILE 11 HY 0.123E+09)
 &rst
  ixpk= 146, nxpk= 0, iat= 130,  -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr2= 134, 140, 141,
 &end
#
# 12 ILE HN 12 ILE QD 4.17115  (# 466 8.089 0.937 20.740 21.549 ILE 11 HN ILE 11 QD 0.406E+08)
 &rst
  ixpk= 466, nxpk= 0, iat= 130,  -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
 igr2= 143, 144, 145,
 &end
#
# 12 ILE HN 9 SER HA 3.3329  (# 134 8.096 4.383 12.125 16.900 ILE 11 HN SER 8 HA 0.156E+09)
 &rst
  ixpk= 134, nxpk= 0, iat= 130,  95, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,  &end
#
# 12 ILE HY 12 ILE HY 2.70075  (# 548 1.712 1.301 28.922 24.508 ILE 11 HY ILE 11 HY 0.551E+09)
#This appears to be self-referential: ignoring
#
# 12 ILE HY 12 ILE HY 3.75729  (# 520 2.003 1.015 31.773 18.217 ILE 11 HY ILE 11 HY 76000000)
#This appears to be self-referential: ignoring
#
# 12 ILE HY 12 ILE HY 4.63139  (# 529 1.712 1.015 27.936 15.764 ILE 11 HY ILE 11 HY 2.16667e+07)
#This appears to be self-referential: ignoring
#
# 12 ILE HY 12 ILE QD 2.9838  (# 531 1.709 0.938 29.580 24.566 ILE 11 HY ILE 11 QD 0.303E+09)
 &rst
  ixpk= 531, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr1= 134, 140, 141,
 igr2= 143, 144, 145,
 &end
#
# 12 ILE HY 12 ILE QD 3.57166  (# 521 2.000 0.936 33.230 25.492 ILE 11 HY ILE 11 QD 0.103E+09)
 &rst
  ixpk= 521, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
 igr1= 134, 140, 141,
 igr2= 143, 144, 145,
 &end
#
# 12 ILE HY 12 ILE QD 3.7055  (# 544 1.283 0.935 17.420 14.318 ILE 11 HY ILE 11 QD 0.826E+08)
 &rst
  ixpk= 544, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr1= 134, 140, 141,
 igr2= 143, 144, 145,
 &end
#
# 12 ILE HY 15 LYS QD 2.93869  (# 547 1.712 1.516 19.873 19.590 ILE 11 HY LYS 14 QD 0.332E+09)
 &rst
  ixpk= 547, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 134, 140, 141,
 igr2= 187, 188,
 &end
#
# 13 THR HA 12 ILE HY 3.5929  (# 336 4.382 2.003 18.301 28.428 THR 12 HA ILE 11 HY 0.994E+08)
 &rst
  ixpk= 336, nxpk= 0, iat= 151,  -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
 igr2= 134, 140, 141,
 &end
#
# 13 THR HA 12 ILE HY 4.30694  (# 339 4.382 1.713 20.119 36.268 THR 12 HA ILE 11 HY 0.335E+08)
 &rst
  ixpk= 339, nxpk= 0, iat= 151,  -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
 igr2= 134, 140, 141,
 &end
#
# 13 THR HA 12 ILE HY 5.04512  (# 340 4.384 1.015 18.688 19.953 THR 12 HA ILE 11 HY 1.29667E+07)
 &rst
  ixpk= 340, nxpk= 0, iat= 151,  -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
 igr2= 134, 140, 141,
 &end
#
# 13 THR HA 12 ILE QD 4.18151  (# 342 4.382 0.937 16.832 22.055 THR 12 HA ILE 11 QD 0.400E+08)
 &rst
  ixpk= 342, nxpk= 0, iat= 151,  -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
 igr2= 143, 144, 145,
 &end
#
# 13 THR HA 13 THR QG2 3.37377  (# 347 4.382 1.346 10.154 12.160 THR 12 HA THR 12 QG2 145000000)
 &rst
  ixpk= 347, nxpk= 0, iat= 151,  -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
 igr2= 155, 156, 157,
 &end
#
# 13 THR HA 17 LEU HB+ 5.21746  (# 337 4.382 1.890 8.697 22.066 THR 12 HA LEU 16 HB+ 0.106E+08)
 &rst
  ixpk= 337, nxpk= 0, iat= 151,  -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
 igr2= 215, 216,
 &end
#
# 13 THR HA 17 LEU HB- 5.82922  (# 338 4.382 1.816 8.557 18.016 THR 12 HA LEU 16 HB- 0.545E+07)
 &rst
  ixpk= 338, nxpk= 0, iat= 151,  -1, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr2= 215, 216,
 &end
#
# 13 THR HB 12 ILE HY 4.32433  (# 367 4.255 1.999 16.762 21.891 THR 12 HB ILE 11 HY 0.327E+08)
 &rst
  ixpk= 367, nxpk= 0, iat= 153,  -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr2= 134, 140, 141,
 &end
#
# 13 THR HB 12 ILE HY 5.73496  (# 369 4.257 1.724 15.154 14.777 THR 12 HB ILE 11 HY 0.601E+07)
 &rst
  ixpk= 369, nxpk= 0, iat= 153,  -1, r1= 1.30, r2= 1.80, r3= 6.89, r4= 7.39,
 igr2= 134, 140, 141,
 &end
#
# 13 THR HB 12 ILE HY 6.19031  (# 371 4.255 1.014 14.461 17.453 THR 12 HB ILE 11 HY 0.380E+07)
 &rst
  ixpk= 371, nxpk= 0, iat= 153,  -1, r1= 1.30, r2= 1.80, r3= 7.43, r4= 7.93,
 igr2= 134, 140, 141,
 &end
#
# 13 THR HB 13 THR QG2 3.85319  (# 370 4.256 1.347 18.346 19.975 THR 12 HB THR 12 QG2 6.53333e+07)
 &rst
  ixpk= 370, nxpk= 0, iat= 153,  -1, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,
 igr2= 155, 156, 157,
 &end
#
# 13 THR HB 16 ASP HB- 4.04107  (# 364 4.256 2.846 14.920 19.283 THR 12 HB ASP 15 HB- 0.491E+08)
 &rst
  ixpk= 364, nxpk= 0, iat= 153,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr2= 203, 204,
 &end
#
# 13 THR HB 16 ASP HB+ 4.09569  (# 363 4.256 2.894 18.064 18.229 THR 12 HB ASP 15 HB+ 0.453E+08)
 &rst
  ixpk= 363, nxpk= 0, iat= 153,  -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr2= 203, 204,
 &end
#
# 13 THR HB 17 LEU QD1 7.23567  (# 422 4.042 0.941 7.701 11.162 THR 12 HB LEU 16 QD1 1490000)
 &rst
  ixpk= 422, nxpk= 0, iat= 153,  -1, r1= 1.30, r2= 1.80, r3= 8.69, r4= 9.19,
 igr2= 220, 221, 222,
 &end
#
# 13 THR HN 10 SER HA 4.89203  (# 133 8.096 4.440 13.053 12.053 THR 12 HN SER 9 HA 0.156E+08)
 &rst
  ixpk= 133, nxpk= 0, iat= 149, 106, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,  &end
#
# 13 THR HN 13 THR QG2 4.25559  (# 132 8.099 1.347 16.434 19.730 THR 12 HN THR 12 QG2 36000000)
 &rst
  ixpk= 132, nxpk= 0, iat= 149,  -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
 igr2= 155, 156, 157,
 &end
#
# 13 THR QG2 12 ILE HA 4.22361  (# 140 8.100 4.011 5.646 14.365 THR 12 QG2 ILE 11 HA 3.76667E+07)
 &rst
  ixpk= 140, nxpk= 0, iat=  -1, 132, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
 igr1= 155, 156, 157,
 &end
#
# 13 THR QG2 13 THR QG2 4.19324  (# 135 8.103 4.261 7.254 14.836 THR 12 QG2 THR 12 QG2 3.93333E+07)
#This appears to be self-referential: ignoring
#
# 14 THR HA 14 THR QG2 3.39626  (# 329 4.371 1.331 11.938 17.488 THR 13 HA THR 13 QG2 1.39333E+08)
 &rst
  ixpk= 329, nxpk= 0, iat= 165,  -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
 igr2= 169, 170, 171,
 &end
#
# 14 THR HA 17 LEU QD2 5.62736  (# 341 4.381 0.983 16.961 13.404 THR 13 HA LEU 16 QD2 6.73333E+06)
 &rst
  ixpk= 341, nxpk= 0, iat= 165,  -1, r1= 1.30, r2= 1.80, r3= 6.76, r4= 7.26,
 igr2= 224, 225, 226,
 &end
#
# 14 THR HB 14 THR QG2 3.78838  (# 401 4.140 1.332 16.680 19.283 THR 13 HB THR 13 QG2 7.23333e+07)
 &rst
  ixpk= 401, nxpk= 0, iat= 167,  -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
 igr2= 169, 170, 171,
 &end
#
# 14 THR HN 12 ILE HA 4.37243  (# 148 8.060 4.011 12.502 12.969 THR 13 HN ILE 11 HA 0.306E+08)
 &rst
  ixpk= 148, nxpk= 0, iat= 163, 132, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,  &end
#
# 14 THR HN 13 THR QG2 4.16434  (# 147 8.057 4.258 13.617 12.969 THR 13 HN THR 12 QG2 41000000)
 &rst
  ixpk= 147, nxpk= 0, iat= 163,  -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr2= 155, 156, 157,
 &end
#
# 14 THR HN 14 THR QG2 3.98992  (# 137 8.096 4.144 14.180 23.182 THR 13 HN THR 13 QG2 53000000)
 &rst
  ixpk= 137, nxpk= 0, iat= 163,  -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
 igr2= 169, 170, 171,
 &end
#
# 15 LYS HN 12 ILE HA 4.53749  (# 180 7.982 4.012 13.840 20.340 LYS 14 HN ILE 11 HA 0.245E+08)
 &rst
  ixpk= 180, nxpk= 0, iat= 177, 132, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,  &end
#
# 15 LYS HN 12 ILE QD 6.45713  (# 475 7.982 0.938 6.551 13.721 LYS 14 HN ILE 11 QD 0.295E+07)
 &rst
  ixpk= 475, nxpk= 0, iat= 177,  -1, r1= 1.30, r2= 1.80, r3= 7.75, r4= 8.25,
 igr2= 143, 144, 145,
 &end
#
# 15 LYS HN 13 THR QG2 5.35511  (# 184 7.980 4.258 13.688 21.619 LYS 14 HN THR 12 QG2 9.06667E+06)
 &rst
  ixpk= 184, nxpk= 0, iat= 177,  -1, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
 igr2= 155, 156, 157,
 &end
#
# 15 LYS HN 14 THR HA 3.41419  (# 177 7.982 4.374 13.992 19.707 LYS 14 HN THR 13 HA 0.135E+09)
 &rst
  ixpk= 177, nxpk= 0, iat= 177, 165, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91,  &end
#
# 15 LYS HN 14 THR QG2 4.57128  (# 178 7.984 4.145 15.365 9.178 LYS 14 HN THR 13 QG2 2.34333E+07)
 &rst
  ixpk= 178, nxpk= 0, iat= 177,  -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
 igr2= 169, 170, 171,
 &end
#
# 15 LYS HN 14 THR QG2 5.05163  (# 188 7.981 1.334 14.449 21.361 LYS 14 HN THR 13 QG2 1.28667E+07)
 &rst
  ixpk= 188, nxpk= 0, iat= 177,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 169, 170, 171,
 &end
#
# 15 LYS HN 15 LYS HA 3.20577  (# 152 8.052 4.144 19.508 20.316 LYS 14 HN LYS 14 HA 0.197E+09)
 &rst
  ixpk= 152, nxpk= 0, iat= 177, 179, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71,  &end
#
# 15 LYS HN 15 LYS HA 3.23372  (# 179 7.983 4.111 17.971 19.754 LYS 14 HN LYS 14 HA 0.187E+09)
 &rst
  ixpk= 179, nxpk= 0, iat= 177, 179, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73,  &end
#
# 15 LYS HN 15 LYS HB- 4.98106  (# 185 7.980 1.746 10.998 15.375 LYS 14 HN LYS 14 HB- 0.140E+08)
 &rst
  ixpk= 185, nxpk= 0, iat= 177,  -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr2= 181, 182,
 &end
#
# 15 LYS HN 15 LYS HG+ 4.25166  (# 186 7.980 1.589 10.682 23.920 LYS 14 HN LYS 14 HG+ 0.362E+08)
 &rst
  ixpk= 186, nxpk= 0, iat= 177,  -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
 igr2= 184, 185,
 &end
#
# 15 LYS HN 15 LYS HG- 4.30267  (# 187 7.980 1.506 11.305 23.062 LYS 14 HN LYS 14 HG- 0.337E+08)
 &rst
  ixpk= 187, nxpk= 0, iat= 177,  -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr2= 184, 185,
 &end
#
# 15 LYS HN 15 LYS QB 2.93138  (# 183 7.982 1.993 14.719 26.420 LYS 14 HN LYS 14 QB 0.337E+09)
 &rst
  ixpk= 183, nxpk= 0, iat= 177,  -1, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,
 igr2= 181, 182,
 &end
#
# 15 LYS HN 15 LYS QE 6.3408  (# 293 7.985 3.037 5.729 24.975 LYS 14 HN LYS 14 QE 0.329E+07)
 &rst
  ixpk= 293, nxpk= 0, iat= 177,  -1, r1= 1.30, r2= 1.80, r3= 7.12, r4= 7.62,
 igr2= 190, 191,
 &end
#
# 15 LYS HN 16 ASP HB+ 6.09763  (# 294 7.982 2.897 10.154 11.385 LYS 14 HN ASP 15 HB+ 0.416E+07)
 &rst
  ixpk= 294, nxpk= 0, iat= 177,  -1, r1= 1.30, r2= 1.80, r3= 6.84, r4= 7.34,
 igr2= 203, 204,
 &end
#
# 15 LYS HN 16 ASP HB- 6.49056  (# 295 7.980 2.845 8.215 12.535 LYS 14 HN ASP 15 HB- 0.286E+07)
 &rst
  ixpk= 295, nxpk= 0, iat= 177,  -1, r1= 1.30, r2= 1.80, r3= 7.29, r4= 7.79,
 igr2= 203, 204,
 &end
#
# 15 LYS HN 16 ASP HN 3.56591  (# 42 7.982 8.196 13.887 20.551 LYS 14 HN ASP 15 HN 0.104E+09)
 &rst
  ixpk= 42, nxpk= 0, iat= 177, 199, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,  &end
#
# 16 ASP HA 15 LYS QB 5.6737  (# 315 4.544 2.001 20.295 19.672 ASP 15 HA LYS 14 QB 0.641E+07)
 &rst
  ixpk= 315, nxpk= 0, iat= 201,  -1, r1= 1.30, r2= 1.80, r3= 6.37, r4= 6.87,
 igr2= 181, 182,
 &end
#
# 16 ASP HA 16 ASP HB+ 3.6369  (# 312 4.549 2.897 13.510 21.631 ASP 15 HA ASP 15 HB+ 0.924E+08)
 &rst
  ixpk= 312, nxpk= 0, iat= 201,  -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
 igr2= 203, 204,
 &end
#
# 16 ASP HA 16 ASP HB- 3.66244  (# 311 4.547 2.845 13.041 19.189 ASP 15 HA ASP 15 HB- 0.886E+08)
 &rst
  ixpk= 311, nxpk= 0, iat= 201,  -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
 igr2= 203, 204,
 &end
#
# 16 ASP HA 19 GLU HB+ 4.1048  (# 313 4.547 2.258 14.109 28.369 ASP 15 HA GLU 18 HB+ 0.447E+08)
 &rst
  ixpk= 313, nxpk= 0, iat= 201,  -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
 igr2= 256, 257,
 &end
#
# 16 ASP HA 19 GLU HB- 4.70942  (# 314 4.544 2.204 12.666 13.592 ASP 15 HA GLU 18 HB- 0.196E+08)
 &rst
  ixpk= 314, nxpk= 0, iat= 201,  -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
 igr2= 256, 257,
 &end
#
# 16 ASP HN 12 ILE HA 5.72077  (# 245 8.196 4.013 16.293 16.549 ASP 15 HN ILE 11 HA 0.610E+07)
 &rst
  ixpk= 245, nxpk= 0, iat= 199, 132, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,  &end
#
# 16 ASP HN 12 ILE HY 8.15556  (# 459 8.196 1.016 10.494 16.408 ASP 15 HN ILE 11 HY 726667)
 &rst
  ixpk= 459, nxpk= 0, iat= 199,  -1, r1= 1.30, r2= 1.80, r3= 9.79, r4=10.29,
 igr2= 134, 140, 141,
 &end
#
# 16 ASP HN 13 THR QG2 6.21789  (# 103 8.196 4.257 13.170 17.523 ASP 15 HN THR 12 QG2 3700000)
 &rst
  ixpk= 103, nxpk= 0, iat= 199,  -1, r1= 1.30, r2= 1.80, r3= 7.47, r4= 7.97,
 igr2= 155, 156, 157,
 &end
#
# 16 ASP HN 14 THR QG2 6.47431  (# 282 8.194 1.339 9.965 21.996 ASP 15 HN THR 13 QG2 2.90333E+06)
 &rst
  ixpk= 282, nxpk= 0, iat= 199,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr2= 169, 170, 171,
 &end
#
# 16 ASP HN 15 LYS HA 3.82947  (# 104 8.196 4.115 14.508 21.420 ASP 15 HN LYS 14 HA 0.678E+08)
 &rst
  ixpk= 104, nxpk= 0, iat= 199, 179, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,  &end
#
# 16 ASP HN 15 LYS HB+ 3.20306  (# 107 8.195 1.994 15.705 26.479 ASP 15 HN LYS 14 HB+ 0.198E+09)
 &rst
  ixpk= 107, nxpk= 0, iat= 199,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2= 181, 182,
 &end
#
# 16 ASP HN 15 LYS HG- 4.88165  (# 281 8.194 1.504 10.436 23.838 ASP 15 HN LYS 14 HG- 0.158E+08)
 &rst
  ixpk= 281, nxpk= 0, iat= 199,  -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
 igr2= 184, 185,
 &end
#
# 16 ASP HN 15 LYS HG+ 5.40668  (# 280 8.193 1.592 10.002 21.854 ASP 15 HN LYS 14 HG+ 0.856E+07)
 &rst
  ixpk= 280, nxpk= 0, iat= 199,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 184, 185,
 &end
#
# 16 ASP HN 15 LYS HN 3.39761  (# 19 8.194 7.982 14.838 21.080 ASP 15 HN LYS 14 HN 0.139E+09)
 &rst
  ixpk= 19, nxpk= 0, iat= 199, 177, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,  &end
#
# 16 ASP HN 16 ASP HA 3.76475  (# 109 8.191 4.571 12.055 22.395 ASP 15 HN ASP 15 HA 0.751E+08)
 &rst
  ixpk= 109, nxpk= 0, iat= 199, 201, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,  &end
#
# 16 ASP HN 16 ASP HB+ 3.35476  (# 105 8.194 2.894 19.578 18.475 ASP 15 HN ASP 15 HB+ 0.150E+09)
 &rst
  ixpk= 105, nxpk= 0, iat= 199,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 203, 204,
 &end
#
# 16 ASP HN 16 ASP HB- 3.46757  (# 106 8.194 2.845 18.123 20.857 ASP 15 HN ASP 15 HB- 0.123E+09)
 &rst
  ixpk= 106, nxpk= 0, iat= 199,  -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
 igr2= 203, 204,
 &end
#
# 16 ASP HN 17 LEU HB+ 5.7007  (# 277 8.193 1.887 6.738 14.400 ASP 15 HN LEU 16 HB+ 0.623E+07)
 &rst
  ixpk= 277, nxpk= 0, iat= 199,  -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
 igr2= 215, 216,
 &end
#
# 16 ASP HN 17 LEU HB- 6.1557  (# 278 8.192 1.815 7.607 18.873 ASP 15 HN LEU 16 HB- 0.393E+07)
 &rst
  ixpk= 278, nxpk= 0, iat= 199,  -1, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
 igr2= 215, 216,
 &end
#
# 16 ASP HN 17 LEU HG 5.49347  (# 283 8.192 1.719 9.109 12.430 ASP 15 HN LEU 16 HG 0.778E+07)
 &rst
  ixpk= 283, nxpk= 0, iat= 199, 218, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,  &end
#
# 16 ASP HN 17 LEU HN 3.1977  (# 18 8.194 8.049 16.164 21.701 ASP 15 HN LEU 16 HN 0.200E+09)
 &rst
  ixpk= 18, nxpk= 0, iat= 199, 211, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,  &end
#
# 16 ASP HN 17 LEU QD1 8.04843  (# 460 8.198 0.947 7.971 11.209 ASP 15 HN LEU 16 QD1 786667)
 &rst
  ixpk= 460, nxpk= 0, iat= 199,  -1, r1= 1.30, r2= 1.80, r3= 9.67, r4=10.17,
 igr2= 220, 221, 222,
 &end
#
# 17 LEU HA 17 LEU HB+ 3.3585  (# 385 4.186 1.881 21.305 26.490 LEU 16 HA LEU 16 HB+ 0.149E+09)
 &rst
  ixpk= 385, nxpk= 0, iat= 213,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 215, 216,
 &end
#
# 17 LEU HA 17 LEU HG 3.15695  (# 386 4.185 1.714 17.666 26.490 LEU 16 HA LEU 16 HG 0.216E+09)
 &rst
  ixpk= 386, nxpk= 0, iat= 213, 218, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66,  &end
#
# 17 LEU HA 17 LEU QD1 4.01558  (# 388 4.184 0.950 20.658 17.652 LEU 16 HA LEU 16 QD1 51000000)
 &rst
  ixpk= 388, nxpk= 0, iat= 213,  -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
 igr2= 220, 221, 222,
 &end
#
# 17 LEU HA 17 LEU QD2 4.55416  (# 387 4.184 0.984 21.023 9.166 LEU 16 HA LEU 16 QD2 2.39667e+07)
 &rst
  ixpk= 387, nxpk= 0, iat= 213,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr2= 224, 225, 226,
 &end
#
# 17 LEU HA 19 LEU HB- 4.02218  (# 383 4.188 1.818 21.820 23.311 LEU 16 HA LEU 18 HB- 0.505E+08)
 &rst
  ixpk= 383, nxpk= 0, iat= 213,  -1, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
 igr2= 256, 257,
 &end
#
# 17 LEU HA 20 LYS HG+ 4.1974  (# 384 4.193 1.502 15.834 22.676 LEU 16 HA LYS 19 HG+ 0.391E+08)
 &rst
  ixpk= 384, nxpk= 0, iat= 213,  -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr2= 274, 275,
 &end
#
# 17 LEU HB+ 17 LEU QD1 4.71613  (# 524 1.882 0.951 19.721 9.506 LEU 16 HB+ LEU 16 QD1 1.94333e+07)
 &rst
  ixpk= 524, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 215, 216,
 igr2= 220, 221, 222,
 &end
#
# 17 LEU HB- 17 LEU QD1 5.08512  (# 526 1.840 0.950 14.004 9.178 LEU 16 HB- LEU 16 QD1 1.23667e+07)
 &rst
  ixpk= 526, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
 igr1= 215, 216,
 igr2= 220, 221, 222,
 &end
#
# 17 LEU HB- 17 LEU QD2 4.17001  (# 527 1.836 0.980 20.811 12.053 LEU 16 HB- LEU 16 QD2 4.06667e+07)
 &rst
  ixpk= 527, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
 igr1= 215, 216,
 igr2= 224, 225, 226,
 &end
#
# 17 LEU HB+ 17 LEU QD2 4.68067  (# 523 1.884 0.981 15.342 11.127 LEU 16 HB+ LEU 16 QD2 2.03333e+07)
 &rst
  ixpk= 523, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.31, r4= 6.81,
 igr1= 215, 216,
 igr2= 224, 225, 226,
 &end
#
# 17 LEU HG 17 LEU QD2 4.42369  (# 530 1.714 0.980 30.131 9.965 LEU 16 HG LEU 16 QD2 2.85333e+07)
 &rst
  ixpk= 530, nxpk= 0, iat= 218,  -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
 igr2= 224, 225, 226,
 &end
#
# 17 LEU HN 14 THR QG2 4.12663  (# 149 8.057 1.334 13.346 22.383 LEU 16 HN THR 13 QG2 0.433E+08)
 &rst
  ixpk= 149, nxpk= 0, iat= 211,  -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
 igr2= 169, 170, 171,
 &end
#
# 17 LEU HN 16 ASP HB- 3.86445  (# 156 8.048 2.844 19.027 22.055 LEU 16 HN ASP 15 HB- 0.642E+08)
 &rst
  ixpk= 156, nxpk= 0, iat= 211,  -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
 igr2= 203, 204,
 &end
#
# 17 LEU HN 16 ASP HB+ 3.91482  (# 155 8.048 2.893 18.428 22.652 LEU 16 HN ASP 15 HB+ 0.594E+08)
 &rst
  ixpk= 155, nxpk= 0, iat= 211,  -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
 igr2= 203, 204,
 &end
#
# 17 LEU HN 16 ASP HN 3.24836  (# 33 8.048 8.197 17.877 20.504 LEU 16 HN ASP 15 HN 0.182E+09)
 &rst
  ixpk= 33, nxpk= 0, iat= 211, 199, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75,  &end
#
# 17 LEU HN 17 LEU HA 3.25435  (# 251 8.050 4.186 20.084 11.654 LEU 16 HN LEU 16 HA 0.180E+09)
 &rst
  ixpk= 251, nxpk= 0, iat= 211, 213, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75,  &end
#
# 17 LEU HN 17 LEU HB+ 3.22234  (# 162 8.048 1.884 15.201 28.686 LEU 16 HN LEU 16 HB+ 0.191E+09)
 &rst
  ixpk= 162, nxpk= 0, iat= 211,  -1, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12,
 igr2= 215, 216,
 &end
#
# 17 LEU HN 17 LEU HB- 3.57747  (# 167 8.047 1.818 15.201 30.199 LEU 16 HN LEU 16 HB- 0.102E+09)
 &rst
  ixpk= 167, nxpk= 0, iat= 211,  -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
 igr2= 215, 216,
 &end
#
# 17 LEU HN 17 LEU HG 3.40999  (# 163 8.048 1.714 15.201 29.449 LEU 16 HN LEU 16 HG 0.136E+09)
 &rst
  ixpk= 163, nxpk= 0, iat= 211, 218, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91,  &end
#
# 17 LEU HN 17 LEU QD1 5.25964  (# 471 8.049 0.949 14.801 15.258 LEU 16 HN LEU 16 QD1 10100000)
 &rst
  ixpk= 471, nxpk= 0, iat= 211,  -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
 igr2= 220, 221, 222,
 &end
#
# 17 LEU HN 17 LEU QD2 4.53749  (# 470 8.051 0.983 15.893 26.631 LEU 16 HN LEU 16 QD2 24500000)
 &rst
  ixpk= 470, nxpk= 0, iat= 211,  -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr2= 224, 225, 226,
 &end
#
# 17 LEU HN 18 LYS QD 4.09871  (# 164 8.050 1.495 14.367 25.588 LEU 16 HN LYS 17 QD 0.451E+08)
 &rst
  ixpk= 164, nxpk= 0, iat= 211,  -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr2= 240, 241,
 &end
#
# 18 LYS HA 17 LEU HB+ 5.42479  (# 421 4.050 1.885 11.668 21.197 LYS 17 HA LEU 16 HB+ 0.839E+07)
 &rst
  ixpk= 421, nxpk= 0, iat= 232,  -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
 igr2= 215, 216,
 &end
#
# 18 LYS HA 18 LYS QB 2.73134  (# 420 4.047 1.997 19.332 44.508 LYS 17 HA LYS 17 QB 0.515E+09)
 &rst
  ixpk= 420, nxpk= 0, iat= 232,  -1, r1= 1.30, r2= 1.80, r3= 3.07, r4= 3.57,
 igr2= 234, 235,
 &end
#
# 18 LYS HA 18 LYS QG 3.61506  (# 419 4.051 1.491 18.723 28.182 LYS 17 HA LYS 17 QG 0.958E+08)
 &rst
  ixpk= 419, nxpk= 0, iat= 232,  -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
 igr2= 237, 238,
 &end
#
# 18 LYS HA 18 LYS QG 3.87253  (# 417 4.051 1.738 18.123 31.150 LYS 17 HA LYS 17 QG 0.634E+08)
 &rst
  ixpk= 417, nxpk= 0, iat= 232,  -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
 igr2= 237, 238,
 &end
#
# 18 LYS HA 18 LYS QG 4.01035  (# 418 4.052 1.642 20.178 28.932 LYS 17 HA LYS 17 QG 0.514E+08)
 &rst
  ixpk= 418, nxpk= 0, iat= 232,  -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
 igr2= 237, 238,
 &end
#
# 18 LYS HG+ 18 LYS QD 2.72607  (# 546 1.757 1.500 19.873 33.850 LYS 17 HG+ LYS 17 QD 0.521E+09)
 &rst
  ixpk= 546, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,
 igr1= 237, 238,
 igr2= 240, 241,
 &end
#
# 18 LYS HN 17 LEU HA 3.57166  (# 87 8.240 4.189 14.578 19.496 LYS 17 HN LEU 16 HA 0.103E+09)
 &rst
  ixpk= 87, nxpk= 0, iat= 230, 213, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,  &end
#
# 18 LYS HN 17 LEU HB+ 3.68353  (# 100 8.237 1.885 14.719 30.799 LYS 17 HN LEU 16 HB+ 0.856E+08)
 &rst
  ixpk= 100, nxpk= 0, iat= 230,  -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
 igr2= 215, 216,
 &end
#
# 18 LYS HN 17 LEU QD1 6.19941  (# 458 8.240 0.950 12.736 13.967 LYS 17 HN LEU 16 QD1 3.76667e+06)
 &rst
  ixpk= 458, nxpk= 0, iat= 230,  -1, r1= 1.30, r2= 1.80, r3= 7.45, r4= 7.95,
 igr2= 220, 221, 222,
 &end
#
# 18 LYS HN 17 LEU QD2 5.59105  (# 457 8.242 0.988 12.324 14.789 LYS 17 HN LEU 16 QD2 7000000)
 &rst
  ixpk= 457, nxpk= 0, iat= 230,  -1, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21,
 igr2= 224, 225, 226,
 &end
#
# 18 LYS HN 18 LYS HA 3.13323  (# 90 8.239 4.050 15.447 23.756 LYS 17 HN LYS 17 HA 0.226E+09)
 &rst
  ixpk= 90, nxpk= 0, iat= 230, 232, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63,  &end
#
# 18 LYS HN 18 LYS HB+ 2.63419  (# 95 8.237 1.998 13.533 20.527 LYS 17 HN LYS 17 HB+ 0.640E+09)
 &rst
  ixpk= 95, nxpk= 0, iat= 230,  -1, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46,
 igr2= 234, 235,
 &end
#
# 18 LYS HN 18 LYS HB- 4.79013  (# 101 8.237 1.816 9.215 18.475 LYS 17 HN LYS 17 HB- 0.177E+08)
 &rst
  ixpk= 101, nxpk= 0, iat= 230,  -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
 igr2= 234, 235,
 &end
#
# 18 LYS HN 19 GLU HN 2.82352  (# 17 8.237 8.162 13.111 22.031 LYS 17 HN GLU 18 HN 0.422E+09)
 &rst
  ixpk= 17, nxpk= 0, iat= 230, 252, r1= 1.30, r2= 1.80, r3= 2.82, r4= 3.32,  &end
#
# 19 GLU HA 23 VAL QG1 5.18797  (# 381 4.200 1.016 22.771 9.213 GLU 18 HA VAL 22 QG1 1.09667e+07)
 &rst
  ixpk= 381, nxpk= 0, iat= 254,  -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
 igr2= 332, 333, 334,
 &end
#
# 19 GLU HN 15 LYS HA 4.71747  (# 112 8.162 4.112 11.902 16.221 GLU 18 HN LYS 14 HA 0.194E+08)
 &rst
  ixpk= 112, nxpk= 0, iat= 252, 179, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,  &end
#
# 19 GLU HN 16 ASP HA 4.68195  (# 110 8.162 4.569 13.275 11.127 GLU 18 HN ASP 15 HA 0.203E+08)
 &rst
  ixpk= 110, nxpk= 0, iat= 252, 201, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,  &end
#
# 19 GLU HN 17 LEU HG 5.59908  (# 288 8.162 1.717 8.287 15.738 GLU 18 HN LEU 16 HG 0.694E+07)
 &rst
  ixpk= 288, nxpk= 0, iat= 252, 218, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
# 19 GLU HN 18 LYS HA 4.03697  (# 113 8.162 4.052 14.578 22.066 GLU 18 HN LYS 17 HA 0.494E+08)
 &rst
  ixpk= 113, nxpk= 0, iat= 252, 232, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,  &end
#
# 19 GLU HN 18 LYS HD- 5.46913  (# 289 8.163 1.648 7.277 19.307 GLU 18 HN LYS 17 HD- 0.799E+07)
 &rst
  ixpk= 289, nxpk= 0, iat= 252,  -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
 igr2= 240, 241,
 &end
#
# 19 GLU HN 18 LYS HD+ 5.63062  (# 287 8.162 1.746 6.855 17.160 GLU 18 HN LYS 17 HD+ 0.671E+07)
 &rst
  ixpk= 287, nxpk= 0, iat= 252,  -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
 igr2= 240, 241,
 &end
#
# 19 GLU HN 18 LYS HN 3.20038  (# 21 8.163 8.240 12.654 14.941 GLU 18 HN LYS 17 HN 0.199E+09)
 &rst
  ixpk= 21, nxpk= 0, iat= 252, 230, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,  &end
#
# 19 GLU HN 18 LYS QB 3.17942  (# 118 8.162 1.998 16.340 29.719 GLU 18 HN LYS 17 QB 0.207E+09)
 &rst
  ixpk= 118, nxpk= 0, iat= 252,  -1, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,
 igr2= 234, 235,
 &end
#
# 19 GLU HN 18 LYS QG 4.68969  (# 291 8.162 1.495 6.668 15.117 GLU 18 HN LYS 17 QG 0.201E+08)
 &rst
  ixpk= 291, nxpk= 0, iat= 252,  -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
 igr2= 237, 238,
 &end
#
# 19 GLU HN 19 GLU HA 3.30861  (# 111 8.161 4.200 11.010 28.135 GLU 18 HN GLU 18 HA 0.163E+09)
 &rst
  ixpk= 111, nxpk= 0, iat= 252, 254, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81,  &end
#
# 19 GLU HN 19 GLU HB- 2.86456  (# 117 8.160 2.201 17.350 34.941 GLU 18 HN GLU 18 HB- 0.387E+09)
 &rst
  ixpk= 117, nxpk= 0, iat= 252,  -1, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72,
 igr2= 256, 257,
 &end
#
# 19 GLU HN 19 GLU HB+ 3.23661  (# 116 8.161 2.259 12.266 21.455 GLU 18 HN GLU 18 HB+ 0.186E+09)
 &rst
  ixpk= 116, nxpk= 0, iat= 252,  -1, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,
 igr2= 256, 257,
 &end
#
# 19 GLU HN 19 GLU HG+ 3.68281  (# 114 8.163 2.615 10.822 26.068 GLU 18 HN GLU 18 HG+ 0.857E+08)
 &rst
  ixpk= 114, nxpk= 0, iat= 252,  -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
 igr2= 259, 260,
 &end
#
# 19 GLU HN 19 GLU HG- 4.26552  (# 115 8.162 2.448 11.668 25.434 GLU 18 HN GLU 18 HG- 0.355E+08)
 &rst
  ixpk= 115, nxpk= 0, iat= 252,  -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
 igr2= 259, 260,
 &end
#
# 19 GLU HN 20 LYS HA 5.63764  (# 247 8.162 4.144 5.951 10.551 GLU 18 HN LYS 19 HA 0.666E+07)
 &rst
  ixpk= 247, nxpk= 0, iat= 252, 269, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,  &end
#
# 19 GLU HN 20 LYS HN 2.98053  (# 227 8.161 8.099 7.289 16.525 GLU 18 HN LYS 19 HN 0.305E+09)
 &rst
  ixpk= 227, nxpk= 0, iat= 252, 267, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48,  &end
#
# 19 GLU HN 20 LYS HN 3.55461  (# 22 8.160 8.053 7.877 17.406 GLU 18 HN LYS 19 HN 0.106E+09)
 &rst
  ixpk= 22, nxpk= 0, iat= 252, 267, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,  &end
#
# 20 LYS HA 19 GLU HB- 4.18676  (# 390 4.146 2.212 12.994 22.723 LYS 19 HA GLU 18 HB- 0.397E+08)
 &rst
  ixpk= 390, nxpk= 0, iat= 269,  -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
 igr2= 256, 257,
 &end
#
# 20 LYS HA 20 LYS HB+ 3.51693  (# 399 4.142 1.882 19.227 28.615 LYS 19 HA LYS 19 HB+ 0.113E+09)
 &rst
  ixpk= 399, nxpk= 0, iat= 269,  -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
 igr2= 271, 272,
 &end
#
# 20 LYS HA 20 LYS HG+ 3.48673  (# 395 4.144 1.508 14.367 33.193 LYS 19 HA LYS 19 HG+ 0.119E+09)
 &rst
  ixpk= 395, nxpk= 0, iat= 269,  -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
 igr2= 274, 275,
 &end
#
# 20 LYS HA 23 VAL HB 3.64151  (# 389 4.144 2.289 23.559 28.264 LYS 19 HA VAL 22 HB 0.917E+08)
 &rst
  ixpk= 389, nxpk= 0, iat= 269, 330, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,  &end
#
# 20 LYS HA 23 VAL QG1 5.11782  (# 402 4.144 1.017 20.424 13.439 LYS 19 HA VAL 22 QG1 11900000)
 &rst
  ixpk= 402, nxpk= 0, iat= 269,  -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
 igr2= 332, 333, 334,
 &end
#
# 20 LYS HA 23 VAL QG2 4.59782  (# 396 4.144 1.125 24.344 18.826 LYS 19 HA VAL 22 QG2 2.26333e+07)
 &rst
  ixpk= 396, nxpk= 0, iat= 269,  -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr2= 336, 337, 338,
 &end
#
# 20 LYS HA 24 VAL QG2 5.73126  (# 397 4.147 1.089 24.109 10.609 LYS 19 HA VAL 23 QG2 6.03333e+06)
 &rst
  ixpk= 397, nxpk= 0, iat= 269,  -1, r1= 1.30, r2= 1.80, r3= 6.88, r4= 7.38,
 igr2= 352, 353, 354,
 &end
#
# 20 LYS HD- 17 LEU QD2 4.53033  (# 536 1.345 0.980 17.420 15.434 LYS 19 HD- LEU 16 QD2 2.47333e+07)
 &rst
  ixpk= 536, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
 igr1= 277, 278,
 igr2= 224, 225, 226,
 &end
#
# 20 LYS HN 16 ASP HA 4.40669  (# 150 8.050 4.573 10.365 19.531 LYS 19 HN ASP 15 HA 0.292E+08)
 &rst
  ixpk= 150, nxpk= 0, iat= 267, 201, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,  &end
#
# 20 LYS HN 16 ASP HA 5.92546  (# 446 8.096 4.569 7.418 12.500 LYS 19 HN ASP 15 HA 0.494E+07)
 &rst
  ixpk= 446, nxpk= 0, iat= 267, 201, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,  &end
#
# 20 LYS HN 16 ASP HB+ 5.09663  (# 297 8.096 2.895 14.355 19.072 LYS 19 HN ASP 15 HB+ 0.122E+08)
 &rst
  ixpk= 297, nxpk= 0, iat= 267,  -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr2= 203, 204,
 &end
#
# 20 LYS HN 16 ASP HB- 5.49464  (# 298 8.098 2.846 14.027 14.941 LYS 19 HN ASP 15 HB- 0.777E+07)
 &rst
  ixpk= 298, nxpk= 0, iat= 267,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 203, 204,
 &end
#
# 20 LYS HN 18 LYS HA 4.30909  (# 139 8.096 4.053 18.980 12.547 LYS 19 HN LYS 17 HA 0.334E+08)
 &rst
  ixpk= 139, nxpk= 0, iat= 267, 232, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,  &end
#
# 20 LYS HN 19 GLU HA 3.4629  (# 136 8.097 4.195 14.695 19.307 LYS 19 HN GLU 18 HA 0.124E+09)
 &rst
  ixpk= 136, nxpk= 0, iat= 267, 254, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,  &end
#
# 20 LYS HN 19 GLU HB- 3.24245  (# 144 8.098 2.202 15.389 20.035 LYS 19 HN GLU 18 HB- 0.184E+09)
 &rst
  ixpk= 144, nxpk= 0, iat= 267,  -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
 igr2= 256, 257,
 &end
#
# 20 LYS HN 19 GLU HB+ 3.56591  (# 141 8.097 2.257 15.389 24.543 LYS 19 HN GLU 18 HB+ 0.104E+09)
 &rst
  ixpk= 141, nxpk= 0, iat= 267,  -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 igr2= 256, 257,
 &end
#
# 20 LYS HN 19 GLU HG- 5.17753  (# 300 8.091 2.445 18.264 20.352 LYS 19 HN GLU 18 HG- 0.111E+08)
 &rst
  ixpk= 300, nxpk= 0, iat= 267,  -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr2= 259, 260,
 &end
#
# 20 LYS HN 19 GLU HN 2.55479  (# 29 8.099 8.159 12.584 18.252 LYS 19 HN GLU 18 HN 0.769E+09)
 &rst
  ixpk= 29, nxpk= 0, iat= 267, 252, r1= 1.30, r2= 1.80, r3= 2.55, r4= 3.05,  &end
#
# 20 LYS HN 20 LYS HB+ 2.69027  (# 142 8.097 2.001 17.854 22.125 LYS 19 HN LYS 19 HB+ 0.564E+09)
 &rst
  ixpk= 142, nxpk= 0, iat= 267,  -1, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52,
 igr2= 271, 272,
 &end
#
# 20 LYS HN 20 LYS HB- 3.20577  (# 488 8.094 1.966 16.973 13.732 LYS 19 HN LYS 19 HB- 0.197E+09)
 &rst
  ixpk= 488, nxpk= 0, iat= 267,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2= 271, 272,
 &end
#
# 20 LYS HN 20 LYS HG+ 3.59896  (# 143 8.097 1.510 8.580 26.938 LYS 19 HN LYS 19 HG+ 0.984E+08)
 &rst
  ixpk= 143, nxpk= 0, iat= 267,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2= 274, 275,
 &end
#
# 20 LYS HN 20 LYS QE 5.97062  (# 299 8.094 3.022 11.797 11.830 LYS 19 HN LYS 19 QE 0.472E+07)
 &rst
  ixpk= 299, nxpk= 0, iat= 267,  -1, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20,
 igr2= 280, 281,
 &end
#
# 20 LYS HN 20 LYS QG 3.15452  (# 145 8.090 1.710 17.982 24.344 LYS 19 HN LYS 19 QG 0.217E+09)
 &rst
  ixpk= 145, nxpk= 0, iat= 267,  -1, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
 igr2= 274, 275,
 &end
#
# 20 LYS HN 21 LYS HN 3.2454  (# 28 8.097 8.244 12.912 16.127 LYS 19 HN LYS 20 HN 0.183E+09)
 &rst
  ixpk= 28, nxpk= 0, iat= 267, 289, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75,  &end
#
# 20 LYS HN 23 VAL QG1 4.18151  (# 465 8.093 1.015 23.088 18.990 LYS 19 HN VAL 22 QG1 40000000)
 &rst
  ixpk= 465, nxpk= 0, iat= 267,  -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
 igr2= 332, 333, 334,
 &end
#
# 20 LYS HN 23 VAL QG2 7.60721  (# 464 8.097 1.125 10.494 16.057 LYS 19 HN VAL 22 QG2 1.10333e+06)
 &rst
  ixpk= 464, nxpk= 0, iat= 267,  -1, r1= 1.30, r2= 1.80, r3= 9.14, r4= 9.64,
 igr2= 336, 337, 338,
 &end
#
# 20 LYS QE 17 LEU QD2 6.60868  (# 500 3.024 0.985 13.393 9.213 LYS 19 QE LEU 16 QD2 2.56667e+06)
 &rst
  ixpk= 500, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.91, r4= 9.41,
 igr1= 280, 281,
 igr2= 224, 225, 226,
 &end
#
# 20 LYS QE 20 LYS HD- 4.56588  (# 498 3.027 1.330 15.881 16.502 LYS 19 QE LYS 19 HD- 0.236E+08)
 &rst
  ixpk= 498, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
 igr1= 280, 281,
 igr2= 277, 278,
 &end
#
# 20 LYS QE 24 VAL QG2 6.59731  (# 499 3.025 1.086 15.002 8.580 LYS 19 QE VAL 23 QG2 2.59333e+06)
 &rst
  ixpk= 499, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.89, r4= 9.39,
 igr1= 280, 281,
 igr2= 352, 353, 354,
 &end
#
# 21 LYS HA 21 LYS HB+ 3.4017  (# 408 4.101 2.220 21.316 30.375 LYS 20 HA LYS 20 HB+ 0.138E+09)
 &rst
  ixpk= 408, nxpk= 0, iat= 291,  -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
 igr2= 293, 294,
 &end
#
# 21 LYS HA 21 LYS HG- 3.63559  (# 442 4.100 1.493 8.793 24.578 LYS 20 HA LYS 20 HG- 0.926E+08)
 &rst
  ixpk= 442, nxpk= 0, iat= 291,  -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
 igr2= 296, 297,
 &end
#
# 21 LYS HA 21 LYS HG+ 3.77063  (# 441 4.100 1.578 9.426 24.578 LYS 20 HA LYS 20 HG+ 0.744E+08)
 &rst
  ixpk= 441, nxpk= 0, iat= 291,  -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
 igr2= 296, 297,
 &end
#
# 21 LYS HA 21 LYS QB 2.60452  (# 404 4.101 1.985 16.340 41.539 LYS 20 HA LYS 20 QB 0.685E+09)
 &rst
  ixpk= 404, nxpk= 0, iat= 291,  -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr2= 293, 294,
 &end
#
# 21 LYS HA 24 VAL QG2 4.74928  (# 410 4.101 1.089 21.199 18.826 LYS 20 HA VAL 23 QG2 1.86333e+07)
 &rst
  ixpk= 410, nxpk= 0, iat= 291,  -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
 igr2= 352, 353, 354,
 &end
#
# 21 LYS HN 20 LYS HA 3.58335  (# 88 8.242 4.143 16.059 14.459 LYS 20 HN LYS 19 HA 0.101E+09)
 &rst
  ixpk= 88, nxpk= 0, iat= 289, 269, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,  &end
#
# 21 LYS HN 20 LYS HN 3.00568  (# 14 8.243 8.099 15.564 23.369 LYS 20 HN LYS 19 HN 0.290E+09)
 &rst
  ixpk= 14, nxpk= 0, iat= 289, 267, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51,  &end
#
# 21 LYS HN 21 LYS HA 3.17942  (# 89 8.242 4.101 17.443 19.883 LYS 20 HN LYS 20 HA 0.207E+09)
 &rst
  ixpk= 89, nxpk= 0, iat= 289, 291, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68,  &end
#
# 21 LYS HN 21 LYS HB- 2.65826  (# 275 8.245 1.974 10.916 26.689 LYS 20 HN LYS 20 HB- 0.606E+09)
 &rst
  ixpk= 275, nxpk= 0, iat= 289,  -1, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48,
 igr2= 293, 294,
 &end
#
# 21 LYS HN 21 LYS HB+ 3.69734  (# 94 8.244 2.210 7.184 35.928 LYS 20 HN LYS 20 HB+ 0.837E+08)
 &rst
  ixpk= 94, nxpk= 0, iat= 289,  -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
 igr2= 293, 294,
 &end
#
# 21 LYS HN 21 LYS HG- 3.704  (# 98 8.241 1.497 15.729 33.873 LYS 20 HN LYS 20 HG- 0.828E+08)
 &rst
  ixpk= 98, nxpk= 0, iat= 289,  -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr2= 296, 297,
 &end
#
# 21 LYS HN 21 LYS HG+ 3.98492  (# 97 8.243 1.581 13.193 32.854 LYS 20 HN LYS 20 HG+ 0.534E+08)
 &rst
  ixpk= 97, nxpk= 0, iat= 289,  -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
 igr2= 296, 297,
 &end
#
# 21 LYS HN 21 LYS QE 5.13965  (# 276 8.240 3.028 11.092 18.180 LYS 20 HN LYS 20 QE 0.116E+08)
 &rst
  ixpk= 276, nxpk= 0, iat= 289,  -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr2= 302, 303,
 &end
#
# 21 LYS HN 22 GLU HB+ 4.84651  (# 93 8.242 2.250 8.404 10.061 LYS 20 HN GLU 21 HB+ 0.165E+08)
 &rst
  ixpk= 93, nxpk= 0, iat= 289,  -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr2= 315, 316,
 &end
#
# 21 LYS HN 22 GLU HN 2.94914  (# 15 8.241 8.051 15.801 20.562 LYS 20 HN GLU 21 HN 0.325E+09)
 &rst
  ixpk= 15, nxpk= 0, iat= 289, 311, r1= 1.30, r2= 1.80, r3= 2.95, r4= 3.45,  &end
#
# 21 LYS HN 23 VAL HN 4.6092  (# 229 8.242 7.899 10.330 17.242 LYS 20 HN VAL 22 HN 0.223E+08)
 &rst
  ixpk= 229, nxpk= 0, iat= 289, 326, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,  &end
#
# 21 LYS HN 23 VAL QG1 6.8067  (# 485 8.243 1.026 8.287 11.092 LYS 20 HN VAL 22 QG1 2150000)
 &rst
  ixpk= 485, nxpk= 0, iat= 289,  -1, r1= 1.30, r2= 1.80, r3= 8.17, r4= 8.67,
 igr2= 332, 333, 334,
 &end
#
# 21 LYS HN 23 VAL QG2 7.17796  (# 456 8.243 1.125 10.506 15.199 LYS 20 HN VAL 22 QG2 1.56333e+06)
 &rst
  ixpk= 456, nxpk= 0, iat= 289,  -1, r1= 1.30, r2= 1.80, r3= 8.62, r4= 9.12,
 igr2= 336, 337, 338,
 &end
#
# 21 LYS HN 24 VAL HN 3.98616  (# 16 8.241 7.987 10.529 17.348 LYS 20 HN VAL 23 HN 0.533E+08)
 &rst
  ixpk= 16, nxpk= 0, iat= 289, 342, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,  &end
#
# 21 LYS HN 24 VAL QG2 6.90079  (# 455 8.243 1.090 10.107 12.324 LYS 20 HN VAL 23 QG2 1980000)
 &rst
  ixpk= 455, nxpk= 0, iat= 289,  -1, r1= 1.30, r2= 1.80, r3= 8.29, r4= 8.79,
 igr2= 352, 353, 354,
 &end
#
# 22 GLU HN 18 LYS HA 4.19919  (# 154 8.052 4.053 11.104 17.254 GLU 21 HN LYS 17 HA 0.390E+08)
 &rst
  ixpk= 154, nxpk= 0, iat= 311, 232, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 22 GLU HN 21 LYS HA 3.49164  (# 153 8.051 4.104 18.240 19.049 GLU 21 HN LYS 20 HA 0.118E+09)
 &rst
  ixpk= 153, nxpk= 0, iat= 311, 291, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,  &end
#
# 22 GLU HN 21 LYS HB+ 3.2855  (# 489 8.052 1.992 18.605 13.732 GLU 21 HN LYS 20 HB+ 0.170E+09)
 &rst
  ixpk= 489, nxpk= 0, iat= 311,  -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
 igr2= 293, 294,
 &end
#
# 22 GLU HN 21 LYS HB- 3.65696  (# 161 8.052 1.958 15.014 14.354 GLU 21 HN LYS 20 HB- 0.894E+08)
 &rst
  ixpk= 161, nxpk= 0, iat= 311,  -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
 igr2= 293, 294,
 &end
#
# 22 GLU HN 21 LYS HN 3.01795  (# 32 8.051 8.243 15.904 20.012 GLU 21 HN LYS 20 HN 0.283E+09)
 &rst
  ixpk= 32, nxpk= 0, iat= 311, 289, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52,  &end
#
# 22 GLU HN 22 GLU HA 3.11734  (# 487 8.049 4.213 17.971 12.770 GLU 21 HN GLU 21 HA 0.233E+09)
 &rst
  ixpk= 487, nxpk= 0, iat= 311, 313, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,  &end
#
# 22 GLU HN 22 GLU HB- 3.21398  (# 160 8.050 2.213 14.695 13.732 GLU 21 HN GLU 21 HB- 0.194E+09)
 &rst
  ixpk= 160, nxpk= 0, iat= 311,  -1, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
 igr2= 315, 316,
 &end
#
# 22 GLU HN 22 GLU HB+ 3.2454  (# 159 8.050 2.239 15.342 11.232 GLU 21 HN GLU 21 HB+ 0.183E+09)
 &rst
  ixpk= 159, nxpk= 0, iat= 311,  -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
 igr2= 315, 316,
 &end
#
# 22 GLU HN 22 GLU HB+ 3.81005  (# 157 8.051 2.582 15.400 34.332 GLU 21 HN GLU 21 HB+ 0.699E+08)
 &rst
  ixpk= 157, nxpk= 0, iat= 311,  -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
 igr2= 315, 316,
 &end
#
# 22 GLU HN 22 GLU HB- 4.27155  (# 158 8.051 2.471 14.131 35.600 GLU 21 HN GLU 21 HB- 0.352E+08)
 &rst
  ixpk= 158, nxpk= 0, iat= 311,  -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
 igr2= 315, 316,
 &end
#
# 22 GLU HN 23 VAL HN 3.23085  (# 34 8.051 7.900 16.316 21.443 GLU 21 HN VAL 22 HN 0.188E+09)
 &rst
  ixpk= 34, nxpk= 0, iat= 311, 326, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73,  &end
#
# 22 GLU HN 24 VAL HN 2.6747  (# 26 8.054 7.984 11.363 22.312 GLU 21 HN VAL 23 HN 0.584E+09)
 &rst
  ixpk= 26, nxpk= 0, iat= 311, 342, r1= 1.30, r2= 1.80, r3= 2.67, r4= 3.17,  &end
#
# 23 VAL HA 23 VAL HB 3.60571  (# 439 3.916 2.290 13.416 27.418 VAL 22 HA VAL 22 HB 0.973E+08)
 &rst
  ixpk= 439, nxpk= 0, iat= 328, 330, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,  &end
#
# 23 VAL HA 23 VAL QG1 3.64173  (# 430 3.907 1.018 17.279 16.127 VAL 22 HA VAL 22 QG1 9.16667e+07)
 &rst
  ixpk= 430, nxpk= 0, iat= 328,  -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
 igr2= 332, 333, 334,
 &end
#
# 23 VAL HA 23 VAL QG2 3.7305  (# 429 3.907 1.125 25.131 19.014 VAL 22 HA VAL 22 QG2 7.93333e+07)
 &rst
  ixpk= 429, nxpk= 0, iat= 328,  -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr2= 336, 337, 338,
 &end
#
# 23 VAL HA 26 GLU HG+ 5.11069  (# 444 3.903 2.653 19.721 21.818 VAL 22 HA GLU 25 HG+ 0.120E+08)
 &rst
  ixpk= 444, nxpk= 0, iat= 328,  -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
 igr2= 380, 381,
 &end
#
# 23 VAL HA 26 GLU HG- 5.42264  (# 443 3.907 2.543 22.596 14.543 VAL 22 HA GLU 25 HG- 0.841E+07)
 &rst
  ixpk= 443, nxpk= 0, iat= 328,  -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
 igr2= 380, 381,
 &end
#
# 23 VAL HN 20 LYS HA 4.29843  (# 190 7.899 4.144 14.262 22.184 VAL 22 HN LYS 19 HA 0.339E+08)
 &rst
  ixpk= 190, nxpk= 0, iat= 326, 269, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 23 VAL HN 20 LYS QD 6.56535  (# 483 7.899 1.498 5.588 14.602 VAL 22 HN LYS 19 QD 0.267E+07)
 &rst
  ixpk= 483, nxpk= 0, iat= 326,  -1, r1= 1.30, r2= 1.80, r3= 7.37, r4= 7.87,
 igr2= 277, 278,
 &end
#
# 23 VAL HN 20 LYS QD 6.8067  (# 481 7.897 1.713 5.318 10.434 VAL 22 HN LYS 19 QD 0.215E+07)
 &rst
  ixpk= 481, nxpk= 0, iat= 326,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr2= 277, 278,
 &end
#
# 23 VAL HN 21 LYS HA 5.19324  (# 254 7.899 4.099 9.051 15.199 VAL 22 HN LYS 20 HA 0.109E+08)
 &rst
  ixpk= 254, nxpk= 0, iat= 326, 291, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,  &end
#
# 23 VAL HN 21 LYS HN 5.32393  (# 225 7.898 8.245 10.389 11.209 VAL 22 HN LYS 20 HN 0.939E+07)
 &rst
  ixpk= 225, nxpk= 0, iat= 326, 289, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,  &end
#
# 23 VAL HN 22 GLU HA 3.72067  (# 189 7.900 4.213 14.543 23.955 VAL 22 HN GLU 21 HA 0.806E+08)
 &rst
  ixpk= 189, nxpk= 0, iat= 326, 313, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,  &end
#
# 23 VAL HN 22 GLU HB- 3.66382  (# 220 7.900 2.212 13.652 17.922 VAL 22 HN GLU 21 HB- 0.884E+08)
 &rst
  ixpk= 220, nxpk= 0, iat= 326,  -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
 igr2= 315, 316,
 &end
#
# 23 VAL HN 22 GLU HB+ 3.91702  (# 193 7.899 2.242 12.689 11.795 VAL 22 HN GLU 21 HB+ 0.592E+08)
 &rst
  ixpk= 193, nxpk= 0, iat= 326,  -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr2= 315, 316,
 &end
#
# 23 VAL HN 22 GLU HB+ 5.18534  (# 222 7.901 2.586 13.770 22.066 VAL 22 HN GLU 21 HB+ 0.110E+08)
 &rst
  ixpk= 222, nxpk= 0, iat= 326,  -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
 igr2= 315, 316,
 &end
#
# 23 VAL HN 22 GLU HB- 5.32204  (# 223 7.899 2.459 10.693 29.941 VAL 22 HN GLU 21 HB- 0.941E+07)
 &rst
  ixpk= 223, nxpk= 0, iat= 326,  -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
 igr2= 315, 316,
 &end
#
# 23 VAL HN 22 GLU HN 3.44913  (# 43 7.899 8.051 15.600 18.920 VAL 22 HN GLU 21 HN 0.127E+09)
 &rst
  ixpk= 43, nxpk= 0, iat= 326, 311, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95,  &end
#
# 23 VAL HN 23 VAL HA 3.45367  (# 191 7.898 3.910 13.664 23.074 VAL 22 HN VAL 22 HA 0.126E+09)
 &rst
  ixpk= 191, nxpk= 0, iat= 326, 328, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95,  &end
#
# 23 VAL HN 23 VAL HB 3.15695  (# 192 7.900 2.291 26.340 28.416 VAL 22 HN VAL 22 HB 0.216E+09)
 &rst
  ixpk= 192, nxpk= 0, iat= 326, 330, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66,  &end
#
# 23 VAL HN 23 VAL QG1 4.67052  (# 478 7.899 1.018 15.424 20.445 VAL 22 HN VAL 22 QG1 20600000)
 &rst
  ixpk= 478, nxpk= 0, iat= 326,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 332, 333, 334,
 &end
#
# 23 VAL HN 23 VAL QG2 3.92294  (# 476 7.898 1.125 14.920 18.498 VAL 22 HN VAL 22 QG2 5.86667e+07)
 &rst
  ixpk= 476, nxpk= 0, iat= 326,  -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr2= 336, 337, 338,
 &end
#
# 23 VAL HN 24 VAL HN 3.24836  (# 44 7.899 7.991 17.137 21.443 VAL 22 HN VAL 23 HN 0.182E+09)
 &rst
  ixpk= 44, nxpk= 0, iat= 326, 342, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75,  &end
#
# 23 VAL HN 25 GLU HN 5.12503  (# 226 7.899 8.273 12.336 14.145 VAL 22 HN GLU 24 HN 0.118E+08)
 &rst
  ixpk= 226, nxpk= 0, iat= 326, 358, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,  &end
#
# 23 VAL HN 27 ALA QB 8.984  (# 482 7.900 1.547 4.367 6.678 VAL 22 HN ALA 26 QB 406667)
 &rst
  ixpk= 482, nxpk= 0, iat= 326,  -1, r1= 1.30, r2= 1.80, r3=10.79, r4=11.29,
 igr2= 392, 393, 394,
 &end
#
# 24 VAL HA 24 VAL HB 3.44016  (# 438 3.879 2.224 13.594 26.938 VAL 23 HA VAL 23 HB 0.129E+09)
 &rst
  ixpk= 438, nxpk= 0, iat= 344, 346, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94,  &end
#
# 24 VAL HA 24 VAL QG1 3.58731  (# 432 3.882 1.003 25.131 22.090 VAL 23 HA VAL 23 QG1 1.00333e+08)
 &rst
  ixpk= 432, nxpk= 0, iat= 344,  -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
 igr2= 348, 349, 350,
 &end
#
# 24 VAL HA 24 VAL QG2 3.7712  (# 431 3.879 1.088 23.559 18.627 VAL 23 HA VAL 23 QG2 7.43333e+07)
 &rst
  ixpk= 431, nxpk= 0, iat= 344,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr2= 352, 353, 354,
 &end
#
# 24 VAL HA 27 ALA QB 4.42197  (# 437 3.883 1.549 23.781 20.035 VAL 23 HA ALA 26 QB 28600000)
 &rst
  ixpk= 437, nxpk= 0, iat= 344,  -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
 igr2= 392, 393, 394,
 &end
#
# 24 VAL HB 23 VAL QG2 4.6962  (# 511 2.212 1.125 28.734 19.037 VAL 23 HB VAL 22 QG2 1.99333e+07)
 &rst
  ixpk= 511, nxpk= 0, iat= 346,  -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
 igr2= 336, 337, 338,
 &end
#
# 24 VAL HB 24 VAL QG2 3.85319  (# 510 2.219 1.088 31.527 18.943 VAL 23 HB VAL 23 QG2 6.53333e+07)
 &rst
  ixpk= 510, nxpk= 0, iat= 346,  -1, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,
 igr2= 352, 353, 354,
 &end
#
# 24 VAL HN 22 GLU HA 4.72974  (# 175 7.986 4.212 7.736 12.076 VAL 23 HN GLU 21 HA 0.191E+08)
 &rst
  ixpk= 175, nxpk= 0, iat= 342, 313, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,  &end
#
# 24 VAL HN 22 GLU HN 2.95986  (# 40 7.982 8.054 12.514 18.850 VAL 23 HN GLU 21 HN 0.318E+09)
 &rst
  ixpk= 40, nxpk= 0, iat= 342, 311, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46,  &end
#
# 24 VAL HN 23 VAL HB 3.48187  (# 182 7.988 2.290 15.014 29.426 VAL 23 HN VAL 22 HB 0.120E+09)
 &rst
  ixpk= 182, nxpk= 0, iat= 342, 330, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,  &end
#
# 24 VAL HN 23 VAL HN 3.24245  (# 41 7.985 7.899 13.699 19.543 VAL 23 HN VAL 22 HN 0.184E+09)
 &rst
  ixpk= 41, nxpk= 0, iat= 342, 326, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,  &end
#
# 24 VAL HN 23 VAL QG2 4.87143  (# 472 7.989 1.124 14.637 14.342 VAL 23 HN VAL 22 QG2 16000000)
 &rst
  ixpk= 472, nxpk= 0, iat= 342,  -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
 igr2= 336, 337, 338,
 &end
#
# 24 VAL HN 24 VAL HA 3.20038  (# 181 7.989 3.891 18.301 27.971 VAL 23 HN VAL 23 HA 0.199E+09)
 &rst
  ixpk= 181, nxpk= 0, iat= 342, 344, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,  &end
#
# 24 VAL HN 24 VAL HB 3.10633  (# 219 7.988 2.222 15.412 19.236 VAL 23 HN VAL 23 HB 0.238E+09)
 &rst
  ixpk= 219, nxpk= 0, iat= 342, 346, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,  &end
#
# 24 VAL HN 24 VAL QG1 4.22987  (# 474 7.988 1.009 15.998 28.486 VAL 23 HN VAL 23 QG1 3.73333e+07)
 &rst
  ixpk= 474, nxpk= 0, iat= 342,  -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr2= 348, 349, 350,
 &end
#
# 24 VAL HN 24 VAL QG2 3.89752  (# 473 7.987 1.087 15.412 18.121 VAL 23 HN VAL 23 QG2 61000000)
 &rst
  ixpk= 473, nxpk= 0, iat= 342,  -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
 igr2= 352, 353, 354,
 &end
#
# 24 VAL HN 25 GLU HN 3.49164  (# 39 7.988 8.274 15.576 18.943 VAL 23 HN GLU 24 HN 0.118E+09)
 &rst
  ixpk= 39, nxpk= 0, iat= 342, 358, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,  &end
#
# 25 GLU HA 24 VAL QG1 5.0897  (# 436 4.206 0.999 9.754 9.730 GLU 24 HA VAL 23 QG1 12300000)
 &rst
  ixpk= 436, nxpk= 0, iat= 360,  -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
 igr2= 348, 349, 350,
 &end
#
# 25 GLU HA 25 GLU HB- 2.44131  (# 377 4.206 2.196 31.398 42.383 GLU 24 HA GLU 24 HB- 0.101E+10)
 &rst
  ixpk= 377, nxpk= 0, iat= 360,  -1, r1= 1.30, r2= 1.80, r3= 2.74, r4= 3.24,
 igr2= 362, 363,
 &end
#
# 25 GLU HA 25 GLU HB+ 2.88092  (# 376 4.207 2.251 28.629 17.805 GLU 24 HA GLU 24 HB+ 0.374E+09)
 &rst
  ixpk= 376, nxpk= 0, iat= 360,  -1, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73,
 igr2= 362, 363,
 &end
#
# 25 GLU HA 25 GLU HG- 3.00915  (# 375 4.207 2.452 26.984 37.936 GLU 24 HA GLU 24 HG- 0.288E+09)
 &rst
  ixpk= 375, nxpk= 0, iat= 360,  -1, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88,
 igr2= 365, 366,
 &end
#
# 25 GLU HA 25 GLU HG+ 3.21122  (# 374 4.209 2.594 24.531 40.307 GLU 24 HA GLU 24 HG+ 0.195E+09)
 &rst
  ixpk= 374, nxpk= 0, iat= 360,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2= 365, 366,
 &end
#
# 25 GLU HA 28 GLU HB- 4.17115  (# 378 4.209 2.097 21.398 20.658 GLU 24 HA GLU 27 HB- 0.406E+08)
 &rst
  ixpk= 378, nxpk= 0, iat= 360,  -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
 igr2= 402, 403,
 &end
#
# 25 GLU HB+ 24 VAL QG1 3.84024  (# 509 2.240 1.003 19.367 17.770 GLU 24 HB+ VAL 23 QG1 6.66667e+07)
 &rst
  ixpk= 509, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
 igr1= 362, 363,
 igr2= 348, 349, 350,
 &end
#
# 25 GLU HG+ 24 VAL QG1 6.64514  (# 549 2.592 1.000 10.904 14.049 GLU 24 HG+ VAL 23 QG1 2.48333e+06)
 &rst
  ixpk= 549, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.96, r4= 9.46,
 igr1= 365, 366,
 igr2= 348, 349, 350,
 &end
#
# 25 GLU HN 21 LYS HA 3.99369  (# 77 8.273 4.099 12.195 18.498 GLU 24 HN LYS 20 HA 0.527E+08)
 &rst
  ixpk= 77, nxpk= 0, iat= 358, 291, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,  &end
#
# 25 GLU HN 23 VAL HN 4.55311  (# 228 8.277 7.900 11.926 20.082 GLU 24 HN VAL 22 HN 0.240E+08)
 &rst
  ixpk= 228, nxpk= 0, iat= 358, 326, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,  &end
#
# 25 GLU HN 24 VAL HA 3.64616  (# 78 8.274 3.888 14.543 22.383 GLU 24 HN VAL 23 HA 0.910E+08)
 &rst
  ixpk= 78, nxpk= 0, iat= 358, 344, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,  &end
#
# 25 GLU HN 24 VAL HN 3.35104  (# 11 8.273 7.994 14.238 17.641 GLU 24 HN VAL 23 HN 0.151E+09)
 &rst
  ixpk= 11, nxpk= 0, iat= 358, 342, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85,  &end
#
# 25 GLU HN 24 VAL QG1 4.79769  (# 454 8.273 1.002 13.945 21.361 GLU 24 HN VAL 23 QG1 1.75333e+07)
 &rst
  ixpk= 454, nxpk= 0, iat= 358,  -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr2= 348, 349, 350,
 &end
#
# 25 GLU HN 24 VAL QG2 5.17495  (# 453 8.273 1.086 13.945 18.074 GLU 24 HN VAL 23 QG2 1.11333e+07)
 &rst
  ixpk= 453, nxpk= 0, iat= 358,  -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
 igr2= 352, 353, 354,
 &end
#
# 25 GLU HN 25 GLU HA 3.2855  (# 72 8.276 4.213 15.107 23.756 GLU 24 HN GLU 24 HA 0.170E+09)
 &rst
  ixpk= 72, nxpk= 0, iat= 358, 360, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,  &end
#
# 25 GLU HN 25 GLU HG+ 3.7347  (# 79 8.274 2.590 13.533 32.488 GLU 24 HN GLU 24 HG+ 0.788E+08)
 &rst
  ixpk= 79, nxpk= 0, iat= 358,  -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
 igr2= 365, 366,
 &end
#
# 25 GLU HN 25 GLU QB 2.6568  (# 269 8.276 2.212 11.410 44.039 GLU 24 HN GLU 24 QB 0.608E+09)
 &rst
  ixpk= 269, nxpk= 0, iat= 358,  -1, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48,
 igr2= 362, 363,
 &end
#
# 25 GLU HN 26 GLU HN 3.1977  (# 10 8.275 8.141 13.629 19.342 GLU 24 HN GLU 25 HN 0.200E+09)
 &rst
  ixpk= 10, nxpk= 0, iat= 358, 373, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,  &end
#
# 25 GLU HN 27 ALA HN 3.91813  (# 9 8.276 8.051 7.619 12.535 GLU 24 HN ALA 26 HN 0.591E+08)
 &rst
  ixpk= 9, nxpk= 0, iat= 358, 388, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,  &end
#
# 25 GLU HN 27 ALA QB 7.26856  (# 271 8.275 1.551 11.504 13.285 GLU 24 HN ALA 26 QB 1450000)
 &rst
  ixpk= 271, nxpk= 0, iat= 358,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr2= 392, 393, 394,
 &end
#
# 26 GLU HA 26 GLU HG- 3.84765  (# 356 4.297 2.540 17.008 23.158 GLU 25 HA GLU 25 HG- 0.659E+08)
 &rst
  ixpk= 356, nxpk= 0, iat= 375,  -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr2= 380, 381,
 &end
#
# 26 GLU HA 26 GLU HG+ 4.37243  (# 355 4.297 2.652 16.480 27.418 GLU 25 HA GLU 25 HG+ 0.306E+08)
 &rst
  ixpk= 355, nxpk= 0, iat= 375,  -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
 igr2= 380, 381,
 &end
#
# 26 GLU HA 26 GLU QB 2.84528  (# 358 4.296 2.212 20.600 36.562 GLU 25 HA GLU 25 QB 0.403E+09)
 &rst
  ixpk= 358, nxpk= 0, iat= 375,  -1, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69,
 igr2= 377, 378,
 &end
#
# 26 GLU HN 23 VAL HA 4.50147  (# 123 8.141 3.912 15.365 10.811 GLU 25 HN VAL 22 HA 0.257E+08)
 &rst
  ixpk= 123, nxpk= 0, iat= 373, 328, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 26 GLU HN 23 VAL QG1 6.10417  (# 463 8.138 1.019 11.656 11.010 GLU 25 HN VAL 22 QG1 4.13333e+06)
 &rst
  ixpk= 463, nxpk= 0, iat= 373,  -1, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
 igr2= 332, 333, 334,
 &end
#
# 26 GLU HN 23 VAL QG2 7.54759  (# 461 8.145 1.125 13.605 6.877 GLU 25 HN VAL 22 QG2 1.15667e+06)
 &rst
  ixpk= 461, nxpk= 0, iat= 373,  -1, r1= 1.30, r2= 1.80, r3= 9.06, r4= 9.56,
 igr2= 336, 337, 338,
 &end
#
# 26 GLU HN 24 VAL HA 4.34449  (# 248 8.141 3.884 16.668 11.760 GLU 25 HN VAL 23 HA 0.318E+08)
 &rst
  ixpk= 248, nxpk= 0, iat= 373, 344, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,  &end
#
# 26 GLU HN 24 VAL QG1 6.42252  (# 484 8.138 0.995 12.830 11.467 GLU 25 HN VAL 23 QG1 3.04667e+06)
 &rst
  ixpk= 484, nxpk= 0, iat= 373,  -1, r1= 1.30, r2= 1.80, r3= 7.71, r4= 8.21,
 igr2= 348, 349, 350,
 &end
#
# 26 GLU HN 24 VAL QG2 7.3989  (# 462 8.141 1.091 8.945 15.375 GLU 25 HN VAL 23 QG2 1.30333e+06)
 &rst
  ixpk= 462, nxpk= 0, iat= 373,  -1, r1= 1.30, r2= 1.80, r3= 8.89, r4= 9.39,
 igr2= 352, 353, 354,
 &end
#
# 26 GLU HN 25 GLU HA 3.44462  (# 122 8.140 4.211 9.180 23.756 GLU 25 HN GLU 24 HA 0.128E+09)
 &rst
  ixpk= 122, nxpk= 0, iat= 373, 360, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94,  &end
#
# 26 GLU HN 25 GLU HG+ 5.35774  (# 285 8.138 2.587 7.947 11.443 GLU 25 HN GLU 24 HG+ 0.904E+07)
 &rst
  ixpk= 285, nxpk= 0, iat= 373,  -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
 igr2= 365, 366,
 &end
#
# 26 GLU HN 25 GLU HN 3.44016  (# 23 8.142 8.275 13.957 14.672 GLU 25 HN GLU 24 HN 0.129E+09)
 &rst
  ixpk= 23, nxpk= 0, iat= 373, 358, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94,  &end
#
# 26 GLU HN 26 GLU HA 3.36227  (# 121 8.140 4.298 13.264 23.158 GLU 25 HN GLU 25 HA 0.148E+09)
 &rst
  ixpk= 121, nxpk= 0, iat= 373, 375, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,  &end
#
# 26 GLU HN 26 GLU HB- 3.25737  (# 290 8.138 2.194 7.607 12.395 GLU 25 HN GLU 25 HB- 0.179E+09)
 &rst
  ixpk= 290, nxpk= 0, iat= 373,  -1, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
 igr2= 377, 378,
 &end
#
# 26 GLU HN 26 GLU HB+ 3.3329  (# 126 8.137 2.231 8.627 17.770 GLU 25 HN GLU 25 HB+ 0.156E+09)
 &rst
  ixpk= 126, nxpk= 0, iat= 373,  -1, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,
 igr2= 377, 378,
 &end
#
# 26 GLU HN 26 GLU HG+ 3.82013  (# 124 8.137 2.647 12.008 24.789 GLU 25 HN GLU 25 HG+ 0.688E+08)
 &rst
  ixpk= 124, nxpk= 0, iat= 373,  -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
 igr2= 380, 381,
 &end
#
# 26 GLU HN 26 GLU HG- 4.28588  (# 125 8.139 2.539 10.482 28.604 GLU 25 HN GLU 25 HG- 0.345E+08)
 &rst
  ixpk= 125, nxpk= 0, iat= 373,  -1, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,
 igr2= 380, 381,
 &end
#
# 26 GLU HN 27 ALA HN 2.97087  (# 24 8.139 8.043 10.072 17.359 GLU 25 HN ALA 26 HN 0.311E+09)
 &rst
  ixpk= 24, nxpk= 0, iat= 373, 388, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,  &end
#
# 26 GLU HN 27 ALA QB 6.3165  (# 292 8.138 1.549 12.502 11.877 GLU 25 HN ALA 26 QB 3.36667E+06)
 &rst
  ixpk= 292, nxpk= 0, iat= 373,  -1, r1= 1.30, r2= 1.80, r3= 7.59, r4= 8.09,
 igr2= 392, 393, 394,
 &end
#
# 27 ALA HA 27 ALA QB 3.71505  (# 349 4.365 1.549 16.574 13.838 ALA 26 HA ALA 26 QB 8.13333e+07)
 &rst
  ixpk= 349, nxpk= 0, iat= 390,  -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
 igr2= 392, 393, 394,
 &end
#
# 27 ALA HN 23 VAL QG1 5.19589  (# 469 8.048 1.015 16.562 12.289 ALA 26 HN VAL 22 QG1 1.08667e+07)
 &rst
  ixpk= 469, nxpk= 0, iat= 388,  -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
 igr2= 332, 333, 334,
 &end
#
# 27 ALA HN 24 VAL HA 4.21926  (# 166 8.043 3.891 9.273 21.879 ALA 26 HN VAL 23 HA 0.379E+08)
 &rst
  ixpk= 166, nxpk= 0, iat= 388, 344, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,  &end
#
# 27 ALA HN 24 VAL QG2 6.06408  (# 468 8.047 1.088 20.988 16.467 ALA 26 HN VAL 23 QG2 4300000)
 &rst
  ixpk= 468, nxpk= 0, iat= 388,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr2= 352, 353, 354,
 &end
#
# 27 ALA HN 26 GLU HA 3.64951  (# 165 8.043 4.300 9.414 21.104 ALA 26 HN GLU 25 HA 0.905E+08)
 &rst
  ixpk= 165, nxpk= 0, iat= 388, 375, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,  &end
#
# 27 ALA HN 26 GLU HN 3.13554  (# 35 8.043 8.140 11.516 18.920 ALA 26 HN GLU 25 HN 0.225E+09)
 &rst
  ixpk= 35, nxpk= 0, iat= 388, 373, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,  &end
#
# 27 ALA HN 27 ALA HA 3.28873  (# 151 8.043 4.374 8.863 25.012 ALA 26 HN ALA 26 HA 0.169E+09)
 &rst
  ixpk= 151, nxpk= 0, iat= 388, 390, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,  &end
#
# 27 ALA HN 27 ALA QB 3.69758  (# 168 8.044 1.548 16.223 19.801 ALA 26 HN ALA 26 QB 8.36667E+07)
 &rst
  ixpk= 168, nxpk= 0, iat= 388,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr2= 392, 393, 394,
 &end
#
# 27 ALA HN 29 ASN HN 4.32875  (# 231 8.048 7.839 15.740 19.178 ALA 26 HN ASN 28 HN 0.325E+08)
 &rst
  ixpk= 231, nxpk= 0, iat= 388, 413, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,  &end
#
# 27 ALA QB 24 VAL QG2 6.73606  (# 533 1.549 1.090 8.957 20.363 ALA 26 QB VAL 23 QG2 2.28888e+06)
 &rst
  ixpk= 533, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.72, r4=10.22,
 igr1= 392, 393, 394,
 igr2= 352, 353, 354,
 &end
#
# 28 GLU HA 27 ALA QB 5.52305  (# 326 4.425 1.548 14.965 9.918 GLU 27 HA ALA 26 QB 7.53333E+06)
 &rst
  ixpk= 326, nxpk= 0, iat= 400,  -1, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
 igr2= 392, 393, 394,
 &end
#
# 28 GLU HA 28 GLU HB+ 3.3699  (# 322 4.436 2.248 25.740 32.031 GLU 27 HA GLU 27 HB+ 0.146E+09)
 &rst
  ixpk= 322, nxpk= 0, iat= 400,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr2= 402, 403,
 &end
#
# 28 GLU HA 28 GLU HB- 3.80642  (# 323 4.434 2.097 16.188 30.387 GLU 27 HA GLU 27 HB- 0.703E+08)
 &rst
  ixpk= 323, nxpk= 0, iat= 400,  -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr2= 402, 403,
 &end
#
# 28 GLU HA 28 GLU HG- 3.88074  (# 325 4.430 2.504 26.398 33.674 GLU 27 HA GLU 27 HG- 0.626E+08)
 &rst
  ixpk= 325, nxpk= 0, iat= 400,  -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
 igr2= 405, 406,
 &end
#
# 28 GLU HA 28 GLU HG+ 4.53134  (# 324 4.430 2.583 22.713 23.604 GLU 27 HA GLU 27 HG+ 0.247E+08)
 &rst
  ixpk= 324, nxpk= 0, iat= 400,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr2= 405, 406,
 &end
#
# 28 GLU HN 25 GLU HA 4.41939  (# 252 8.005 4.212 7.289 20.340 GLU 27 HN GLU 24 HA 0.287E+08)
 &rst
  ixpk= 252, nxpk= 0, iat= 398, 360, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,  &end
#
# 28 GLU HN 26 GLU HA 5.06263  (# 253 8.005 4.301 8.486 19.707 GLU 27 HN GLU 25 HA 0.127E+08)
 &rst
  ixpk= 253, nxpk= 0, iat= 398, 375, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,  &end
#
# 28 GLU HN 27 ALA HA 3.57747  (# 170 8.007 4.370 9.520 17.805 GLU 27 HN ALA 26 HA 0.102E+09)
 &rst
  ixpk= 170, nxpk= 0, iat= 398, 390, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,  &end
#
# 28 GLU HN 27 ALA QB 4.48704  (# 174 8.004 1.550 13.533 16.291 GLU 27 HN ALA 26 QB 26200000)
 &rst
  ixpk= 174, nxpk= 0, iat= 398,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2= 392, 393, 394,
 &end
#
# 28 GLU HN 28 GLU HA 3.76308  (# 169 8.005 4.428 12.502 22.887 GLU 27 HN GLU 27 HA 0.753E+08)
 &rst
  ixpk= 169, nxpk= 0, iat= 398, 400, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,  &end
#
# 28 GLU HN 28 GLU HB+ 3.39356  (# 176 8.004 2.237 8.463 21.725 GLU 27 HN GLU 27 HB+ 0.140E+09)
 &rst
  ixpk= 176, nxpk= 0, iat= 398,  -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
 igr2= 402, 403,
 &end
#
# 28 GLU HN 28 GLU HB- 3.59653  (# 173 8.005 2.096 12.008 30.164 GLU 27 HN GLU 27 HB- 0.988E+08)
 &rst
  ixpk= 173, nxpk= 0, iat= 398,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2= 402, 403,
 &end
#
# 28 GLU HN 28 GLU HG+ 4.0606  (# 171 8.002 2.590 19.578 33.029 GLU 27 HN GLU 27 HG+ 0.477E+08)
 &rst
  ixpk= 171, nxpk= 0, iat= 398,  -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
 igr2= 405, 406,
 &end
#
# 28 GLU HN 28 GLU HG- 4.51029  (# 172 8.004 2.513 16.914 29.613 GLU 27 HN GLU 27 HG- 0.254E+08)
 &rst
  ixpk= 172, nxpk= 0, iat= 398,  -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
 igr2= 405, 406,
 &end
#
# 28 GLU HN 29 ASN HN 3.46757  (# 38 8.003 7.840 18.301 22.383 GLU 27 HN ASN 28 HN 0.123E+09)
 &rst
  ixpk= 38, nxpk= 0, iat= 398, 413, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97,  &end
#
# 29 ASN HD21 29 ASN HD22 2.3232  (# 204 6.759 7.578 9.637 19.260 ASN 28 HD21 ASN 28 HD22 0.136E+10)
 &rst
  ixpk= 204, nxpk= 0, iat= 422, 423, r1= 1.30, r2= 1.80, r3= 2.32, r4= 2.82,  &end
#
# 29 ASN HD22 29 ASN HD21 2.31755  (# 203 7.577 6.760 12.584 18.369 ASN 28 HD22 ASN 28 HD21 0.138E+10)
 &rst
  ixpk= 203, nxpk= 0, iat= 423, 422, r1= 1.30, r2= 1.80, r3= 2.32, r4= 2.82,  &end
#
# 29 ASN HN 25 GLU HA 6.08791  (# 255 7.844 4.215 9.543 22.289 ASN 28 HN GLU 24 HA 0.420E+07)
 &rst
  ixpk= 255, nxpk= 0, iat= 413, 360, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,  &end
#
# 29 ASN HN 26 GLU HA 4.98106  (# 195 7.838 4.301 9.285 11.795 ASN 28 HN GLU 25 HA 0.140E+08)
 &rst
  ixpk= 195, nxpk= 0, iat= 413, 375, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,  &end
#
# 29 ASN HN 27 ALA HN 6.82804  (# 230 7.846 8.050 5.400 17.828 ASN 28 HN ALA 26 HN 0.211E+07)
 &rst
  ixpk= 230, nxpk= 0, iat= 413, 388, r1= 1.30, r2= 1.80, r3= 6.83, r4= 7.33,  &end
#
# 29 ASN HN 27 ALA QB 6.56262  (# 217 7.837 1.549 11.961 14.236 ASN 28 HN ALA 26 QB 2.67667E+06)
 &rst
  ixpk= 217, nxpk= 0, iat= 413,  -1, r1= 1.30, r2= 1.80, r3= 7.88, r4= 8.38,
 igr2= 392, 393, 394,
 &end
#
# 29 ASN HN 28 GLU HA 4.25954  (# 200 7.838 4.428 12.584 23.604 ASN 28 HN GLU 27 HA 0.358E+08)
 &rst
  ixpk= 200, nxpk= 0, iat= 413, 400, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,  &end
#
# 29 ASN HN 28 GLU HB- 4.86135  (# 216 7.838 2.095 10.729 27.547 ASN 28 HN GLU 27 HB- 0.162E+08)
 &rst
  ixpk= 216, nxpk= 0, iat= 413,  -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
 igr2= 402, 403,
 &end
#
# 29 ASN HN 28 GLU HB+ 5.27809  (# 215 7.839 2.247 10.002 18.943 ASN 28 HN GLU 27 HB+ 0.989E+07)
 &rst
  ixpk= 215, nxpk= 0, iat= 413,  -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
 igr2= 402, 403,
 &end
#
# 29 ASN HN 28 GLU HN 3.71683  (# 47 7.838 8.002 14.943 19.295 ASN 28 HN GLU 27 HN 0.811E+08)
 &rst
  ixpk= 47, nxpk= 0, iat= 413, 398, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,  &end
#
# 29 ASN HN 29 ASN HA 8.24831  (# 199 7.837 4.624 11.504 47.701 ASN 28 HN ASN 28 HA 0.679E+06)
 &rst
  ixpk= 199, nxpk= 0, iat= 413, 415, r1= 1.30, r2= 1.80, r3= 8.25, r4= 8.75,  &end
#
# 29 ASN HN 29 ASN HB- 4.04107  (# 202 7.838 2.776 12.184 29.191 ASN 28 HN ASN 28 HB- 0.491E+08)
 &rst
  ixpk= 202, nxpk= 0, iat= 413,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr2= 417, 418,
 &end
#
# 29 ASN HN 29 ASN HB+ 4.83679  (# 201 7.838 2.868 10.916 20.740 ASN 28 HN ASN 28 HB+ 0.167E+08)
 &rst
  ixpk= 201, nxpk= 0, iat= 413,  -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
 igr2= 417, 418,
 &end
#
#  chirality for residue 2 atoms:  CA OG HB2 HB3
 &rst iat=9,14,12,13, 
   r1=10., r2=60., r3=80., r4=130., rk2 = 10., rk3=10.,  &end
#
#  chirality for residue 2 atoms:  N C HA CB
 &rst iat=7,16,10,11, &end
#
#  chirality for residue 3 atoms:  CA CG HB2 HB3
 &rst iat=20,25,23,24, &end
#
#  chirality for residue 3 atoms:  N C HA CB
 &rst iat=18,28,21,22, &end
#
#  chirality for residue 4 atoms:  N C HA CB
 &rst iat=30,38,33,34, &end
#
#  chirality for residue 5 atoms:  N C HA CB
 &rst iat=40,48,43,44, &end
#
#  chirality for residue 6 atoms:  CA CG1 CG2 HB
 &rst iat=52,56,60,55, &end
#
#  chirality for residue 6 atoms:  N C HA CB
 &rst iat=50,64,53,54, &end
#
#  chirality for residue 7 atoms:  CA CG HB2 HB3
 &rst iat=68,73,71,72, &end
#
#  chirality for residue 7 atoms:  N C HA CB
 &rst iat=66,76,69,70, &end
#
#  chirality for residue 8 atoms:  CA CG2 OG1 HB
 &rst iat=80,84,88,83, &end
#
#  chirality for residue 8 atoms:  N C HA CB
 &rst iat=78,90,81,82, &end
#
#  chirality for residue 9 atoms:  CA OG HB2 HB3
 &rst iat=94,99,97,98, &end
#
#  chirality for residue 9 atoms:  N C HA CB
 &rst iat=92,101,95,96, &end
#
#  chirality for residue 10 atoms:  CA OG HB2 HB3
 &rst iat=105,110,108,109, &end
#
#  chirality for residue 10 atoms:  N C HA CB
 &rst iat=103,112,106,107, &end
#
#  chirality for residue 11 atoms:  CA CG HB2 HB3
 &rst iat=116,121,119,120, &end
#
#  chirality for residue 11 atoms:  CB CD HG2 HG3
 &rst iat=118,124,122,123, &end
#
#  chirality for residue 11 atoms:  N C HA CB
 &rst iat=114,127,117,118, &end
#
#  chirality for residue 12 atoms:  CA CG2 CG1 HB
 &rst iat=131,135,139,134, &end
#
#  chirality for residue 12 atoms:  CB CD1 HG12 HG13
 &rst iat=133,142,140,141, &end
#
#  chirality for residue 12 atoms:  N C HA CB
 &rst iat=129,146,132,133, &end
#
#  chirality for residue 13 atoms:  CA CG2 OG1 HB
 &rst iat=150,154,158,153, &end
#
#  chirality for residue 13 atoms:  N C HA CB
 &rst iat=148,160,151,152, &end
#
#  chirality for residue 14 atoms:  CA CG2 OG1 HB
 &rst iat=164,168,172,167, &end
#
#  chirality for residue 14 atoms:  N C HA CB
 &rst iat=162,174,165,166, &end
#
#  chirality for residue 15 atoms:  CA CG HB2 HB3
 &rst iat=178,183,181,182, &end
#
#  chirality for residue 15 atoms:  CB CD HG2 HG3
 &rst iat=180,186,184,185, &end
#
#  chirality for residue 15 atoms:  CD NZ HE2 HE3
 &rst iat=186,192,190,191, &end
#
#  chirality for residue 15 atoms:  CG CE HD2 HD3
 &rst iat=183,189,187,188, &end
#
#  chirality for residue 15 atoms:  N C HA CB
 &rst iat=176,196,179,180, &end
#
#  chirality for residue 16 atoms:  CA CG HB2 HB3
 &rst iat=200,205,203,204, &end
#
#  chirality for residue 16 atoms:  N C HA CB
 &rst iat=198,208,201,202, &end
#
#  chirality for residue 17 atoms:  CA CG HB2 HB3
 &rst iat=212,217,215,216, &end
#
#  chirality for residue 17 atoms:  CB CD1 CD2 HG
 &rst iat=214,219,223,218, &end
#
#  chirality for residue 17 atoms:  N C HA CB
 &rst iat=210,227,213,214, &end
#
#  chirality for residue 18 atoms:  CA CG HB2 HB3
 &rst iat=231,236,234,235, &end
#
#  chirality for residue 18 atoms:  CB CD HG2 HG3
 &rst iat=233,239,237,238, &end
#
#  chirality for residue 18 atoms:  CD NZ HE2 HE3
 &rst iat=239,245,243,244, &end
#
#  chirality for residue 18 atoms:  CG CE HD2 HD3
 &rst iat=236,242,240,241, &end
#
#  chirality for residue 18 atoms:  N C HA CB
 &rst iat=229,249,232,233, &end
#
#  chirality for residue 19 atoms:  CA CG HB2 HB3
 &rst iat=253,258,256,257, &end
#
#  chirality for residue 19 atoms:  CB CD HG2 HG3
 &rst iat=255,261,259,260, &end
#
#  chirality for residue 19 atoms:  N C HA CB
 &rst iat=251,264,254,255, &end
#
#  chirality for residue 20 atoms:  CA CG HB2 HB3
 &rst iat=268,273,271,272, &end
#
#  chirality for residue 20 atoms:  CB CD HG2 HG3
 &rst iat=270,276,274,275, &end
#
#  chirality for residue 20 atoms:  CD NZ HE2 HE3
 &rst iat=276,282,280,281, &end
#
#  chirality for residue 20 atoms:  CG CE HD2 HD3
 &rst iat=273,279,277,278, &end
#
#  chirality for residue 20 atoms:  N C HA CB
 &rst iat=266,286,269,270, &end
#
#  chirality for residue 21 atoms:  CA CG HB2 HB3
 &rst iat=290,295,293,294, &end
#
#  chirality for residue 21 atoms:  CB CD HG2 HG3
 &rst iat=292,298,296,297, &end
#
#  chirality for residue 21 atoms:  CD NZ HE2 HE3
 &rst iat=298,304,302,303, &end
#
#  chirality for residue 21 atoms:  CG CE HD2 HD3
 &rst iat=295,301,299,300, &end
#
#  chirality for residue 21 atoms:  N C HA CB
 &rst iat=288,308,291,292, &end
#
#  chirality for residue 22 atoms:  CA CG HB2 HB3
 &rst iat=312,317,315,316, &end
#
#  chirality for residue 22 atoms:  CB CD HG2 HG3
 &rst iat=314,320,318,319, &end
#
#  chirality for residue 22 atoms:  N C HA CB
 &rst iat=310,323,313,314, &end
#
#  chirality for residue 23 atoms:  CA CG1 CG2 HB
 &rst iat=327,331,335,330, &end
#
#  chirality for residue 23 atoms:  N C HA CB
 &rst iat=325,339,328,329, &end
#
#  chirality for residue 24 atoms:  CA CG1 CG2 HB
 &rst iat=343,347,351,346, &end
#
#  chirality for residue 24 atoms:  N C HA CB
 &rst iat=341,355,344,345, &end
#
#  chirality for residue 25 atoms:  CA CG HB2 HB3
 &rst iat=359,364,362,363, &end
#
#  chirality for residue 25 atoms:  CB CD HG2 HG3
 &rst iat=361,367,365,366, &end
#
#  chirality for residue 25 atoms:  N C HA CB
 &rst iat=357,370,360,361, &end
#
#  chirality for residue 26 atoms:  CA CG HB2 HB3
 &rst iat=374,379,377,378, &end
#
#  chirality for residue 26 atoms:  CB CD HG2 HG3
 &rst iat=376,382,380,381, &end
#
#  chirality for residue 26 atoms:  N C HA CB
 &rst iat=372,385,375,376, &end
#
#  chirality for residue 27 atoms:  N C HA CB
 &rst iat=387,395,390,391, &end
#
#  chirality for residue 28 atoms:  CA CG HB2 HB3
 &rst iat=399,404,402,403, &end
#
#  chirality for residue 28 atoms:  CB CD HG2 HG3
 &rst iat=401,407,405,406, &end
#
#  chirality for residue 28 atoms:  N C HA CB
 &rst iat=397,410,400,401, &end
#
#  chirality for residue 29 atoms:  CA CG HB2 HB3
 &rst iat=414,419,417,418, &end
#
#  chirality for residue 29 atoms:  N C HA CB
 &rst iat=412,424,415,416, &end
#
#  trans-omega constraint for residue 3
 &rst iat=20,18,16,9, 
   r1=150., r2=170., r3=190., r4=210., rk2 = 50., rk3=50.,  &end
#
#  trans-omega constraint for residue 4
 &rst iat=32,30,28,20, &end
#
#  trans-omega constraint for residue 5
 &rst iat=42,40,38,32, &end
#
#  trans-omega constraint for residue 6
 &rst iat=52,50,48,42, &end
#
#  trans-omega constraint for residue 7
 &rst iat=68,66,64,52, &end
#
#  trans-omega constraint for residue 8
 &rst iat=80,78,76,68, &end
#
#  trans-omega constraint for residue 9
 &rst iat=94,92,90,80, &end
#
#  trans-omega constraint for residue 10
 &rst iat=105,103,101,94, &end
#
#  trans-omega constraint for residue 11
 &rst iat=116,114,112,105, &end
#
#  trans-omega constraint for residue 12
 &rst iat=131,129,127,116, &end
#
#  trans-omega constraint for residue 13
 &rst iat=150,148,146,131, &end
#
#  trans-omega constraint for residue 14
 &rst iat=164,162,160,150, &end
#
#  trans-omega constraint for residue 15
 &rst iat=178,176,174,164, &end
#
#  trans-omega constraint for residue 16
 &rst iat=200,198,196,178, &end
#
#  trans-omega constraint for residue 17
 &rst iat=212,210,208,200, &end
#
#  trans-omega constraint for residue 18
 &rst iat=231,229,227,212, &end
#
#  trans-omega constraint for residue 19
 &rst iat=253,251,249,231, &end
#
#  trans-omega constraint for residue 20
 &rst iat=268,266,264,253, &end
#
#  trans-omega constraint for residue 21
 &rst iat=290,288,286,268, &end
#
#  trans-omega constraint for residue 22
 &rst iat=312,310,308,290, &end
#
#  trans-omega constraint for residue 23
 &rst iat=327,325,323,312, &end
#
#  trans-omega constraint for residue 24
 &rst iat=343,341,339,327, &end
#
#  trans-omega constraint for residue 25
 &rst iat=359,357,355,343, &end
#
#  trans-omega constraint for residue 26
 &rst iat=374,372,370,359, &end
#
#  trans-omega constraint for residue 27
 &rst iat=389,387,385,374, &end
#
#  trans-omega constraint for residue 28
 &rst iat=399,397,395,389, &end
#
#  trans-omega constraint for residue 29
 &rst iat=414,412,410,399, &end

#   ALPHA HELIX PHI/PSI RESTRAINTS FOR RESIDUES 12 - 28 

# helix phi for residue 12
# 12 ILE PHI:  (11 GLU C)-(12 ILE N)-(12 ILE CA)-(12 ILE C) 270.0 330.0
 &rst     iat =   127,   129,   131,   146,
   r1 = 269.0, r2 = 270.0, r3 = 330.0, r4 = 331.0,
 rk2 =  500.0, rk3 =  500.0,    &end

# helix psi for residue 12
# 12 ILE PSI:  (12 ILE N)-(12 ILE CA)-(12 ILE C)-(13 THR N) 285.0 345.0
 &rst     iat =   129,   131,   146,   148,
   r1 = 284.0, r2 = 285.0, r3 = 345.0, r4 = 346.0,
 rk2 =  500.0, rk3 =  500.0,    &end

# helix phi for residue 13
# 13 THR PHI:  (12 ILE C)-(13 THR N)-(13 THR CA)-(13 THR C) 270.0 330.0
 &rst     iat =   146,   148,   150,   160,
   r1 = 269.0, r2 = 270.0, r3 = 330.0, r4 = 331.0,
 rk2 =  500.0, rk3 =  500.0,    &end

# helix psi for residue 13
# 13 THR PSI:  (13 THR N)-(13 THR CA)-(13 THR C)-(14 THR N) 285.0 345.0
 &rst     iat =   148,   150,   160,   162,
   r1 = 284.0, r2 = 285.0, r3 = 345.0, r4 = 346.0,
 rk2 =  500.0, rk3 =  500.0,    &end

# helix phi for residue 14
# 14 THR PHI:  (13 THR C)-(14 THR N)-(14 THR CA)-(14 THR C) 270.0 330.0
 &rst     iat =   160,   162,   164,   174,
   r1 = 269.0, r2 = 270.0, r3 = 330.0, r4 = 331.0,
 rk2 =  500.0, rk3 =  500.0,    &end

# helix psi for residue 14
# 14 THR PSI:  (14 THR N)-(14 THR CA)-(14 THR C)-(15 LYS N) 285.0 345.0
 &rst     iat =   162,   164,   174,   176,
   r1 = 284.0, r2 = 285.0, r3 = 345.0, r4 = 346.0,
 rk2 =  500.0, rk3 =  500.0,    &end

# helix phi for residue 15
# 15 LYS PHI:  (14 THR C)-(15 LYS N)-(15 LYS CA)-(15 LYS C) 270.0 330.0
 &rst     iat =   174,   176,   178,   196,
   r1 = 269.0, r2 = 270.0, r3 = 330.0, r4 = 331.0,
 rk2 =  500.0, rk3 =  500.0,    &end

# helix psi for residue 15
# 15 LYS PSI:  (15 LYS N)-(15 LYS CA)-(15 LYS C)-(16 ASP N) 285.0 345.0
 &rst     iat =   176,   178,   196,   198,
   r1 = 284.0, r2 = 285.0, r3 = 345.0, r4 = 346.0,
 rk2 =  500.0, rk3 =  500.0,    &end

# helix phi for residue 16
# 16 ASP PHI:  (15 LYS C)-(16 ASP N)-(16 ASP CA)-(16 ASP C) 270.0 330.0
 &rst     iat =   196,   198,   200,   208,
   r1 = 269.0, r2 = 270.0, r3 = 330.0, r4 = 331.0,
 rk2 =  500.0, rk3 =  500.0,    &end

# helix psi for residue 16
# 16 ASP PSI:  (16 ASP N)-(16 ASP CA)-(16 ASP C)-(17 LEU N) 285.0 345.0
 &rst     iat =   198,   200,   208,   210,
   r1 = 284.0, r2 = 285.0, r3 = 345.0, r4 = 346.0,
 rk2 =  500.0, rk3 =  500.0,    &end

# helix phi for residue 17
# 17 LEU PHI:  (16 ASP C)-(17 LEU N)-(17 LEU CA)-(17 LEU C) 270.0 330.0
 &rst     iat =   208,   210,   212,   227,
   r1 = 269.0, r2 = 270.0, r3 = 330.0, r4 = 331.0,
 rk2 =  500.0, rk3 =  500.0,    &end

# helix psi for residue 17
# 17 LEU PSI:  (17 LEU N)-(17 LEU CA)-(17 LEU C)-(18 LYS N) 285.0 345.0
 &rst     iat =   210,   212,   227,   229,
   r1 = 284.0, r2 = 285.0, r3 = 345.0, r4 = 346.0,
 rk2 =  500.0, rk3 =  500.0,    &end

# helix phi for residue 18
# 18 LYS PHI:  (17 LEU C)-(18 LYS N)-(18 LYS CA)-(18 LYS C) 270.0 330.0
 &rst     iat =   227,   229,   231,   249,
   r1 = 269.0, r2 = 270.0, r3 = 330.0, r4 = 331.0,
 rk2 =  500.0, rk3 =  500.0,    &end

# helix psi for residue 18
# 18 LYS PSI:  (18 LYS N)-(18 LYS CA)-(18 LYS C)-(19 GLU N) 285.0 345.0
 &rst     iat =   229,   231,   249,   251,
   r1 = 284.0, r2 = 285.0, r3 = 345.0, r4 = 346.0,
 rk2 =  500.0, rk3 =  500.0,    &end

# helix phi for residue 19
# 19 GLU PHI:  (18 LYS C)-(19 GLU N)-(19 GLU CA)-(19 GLU C) 270.0 330.0
 &rst     iat =   249,   251,   253,   264,
   r1 = 269.0, r2 = 270.0, r3 = 330.0, r4 = 331.0,
 rk2 =  500.0, rk3 =  500.0,    &end

# helix psi for residue 19
# 19 GLU PSI:  (19 GLU N)-(19 GLU CA)-(19 GLU C)-(20 LYS N) 285.0 345.0
 &rst     iat =   251,   253,   264,   266,
   r1 = 284.0, r2 = 285.0, r3 = 345.0, r4 = 346.0,
 rk2 =  500.0, rk3 =  500.0,    &end

# helix phi for residue 20
# 20 LYS PHI:  (19 GLU C)-(20 LYS N)-(20 LYS CA)-(20 LYS C) 270.0 330.0
 &rst     iat =   264,   266,   268,   286,
   r1 = 269.0, r2 = 270.0, r3 = 330.0, r4 = 331.0,
 rk2 =  500.0, rk3 =  500.0,    &end

# helix psi for residue 20
# 20 LYS PSI:  (20 LYS N)-(20 LYS CA)-(20 LYS C)-(21 LYS N) 285.0 345.0
 &rst     iat =   266,   268,   286,   288,
   r1 = 284.0, r2 = 285.0, r3 = 345.0, r4 = 346.0,
 rk2 =  500.0, rk3 =  500.0,    &end

# helix phi for residue 21
# 21 LYS PHI:  (20 LYS C)-(21 LYS N)-(21 LYS CA)-(21 LYS C) 270.0 330.0
 &rst     iat =   286,   288,   290,   308,
   r1 = 269.0, r2 = 270.0, r3 = 330.0, r4 = 331.0,
 rk2 =  500.0, rk3 =  500.0,    &end

# helix psi for residue 21
# 21 LYS PSI:  (21 LYS N)-(21 LYS CA)-(21 LYS C)-(22 GLU N) 285.0 345.0
 &rst     iat =   288,   290,   308,   310,
   r1 = 284.0, r2 = 285.0, r3 = 345.0, r4 = 346.0,
 rk2 =  500.0, rk3 =  500.0,    &end

# helix phi for residue 22
# 22 GLU PHI:  (21 LYS C)-(22 GLU N)-(22 GLU CA)-(22 GLU C) 270.0 330.0
 &rst     iat =   308,   310,   312,   323,
   r1 = 269.0, r2 = 270.0, r3 = 330.0, r4 = 331.0,
 rk2 =  500.0, rk3 =  500.0,    &end

# helix psi for residue 22
# 22 GLU PSI:  (22 GLU N)-(22 GLU CA)-(22 GLU C)-(23 VAL N) 285.0 345.0
 &rst     iat =   310,   312,   323,   325,
   r1 = 284.0, r2 = 285.0, r3 = 345.0, r4 = 346.0,
 rk2 =  500.0, rk3 =  500.0,    &end

# helix phi for residue 23
# 23 VAL PHI:  (22 GLU C)-(23 VAL N)-(23 VAL CA)-(23 VAL C) 270.0 330.0
 &rst     iat =   323,   325,   327,   339,
   r1 = 269.0, r2 = 270.0, r3 = 330.0, r4 = 331.0,
 rk2 =  500.0, rk3 =  500.0,    &end

# helix psi for residue 23
# 23 VAL PSI:  (23 VAL N)-(23 VAL CA)-(23 VAL C)-(24 VAL N) 285.0 345.0
 &rst     iat =   325,   327,   339,   341,
   r1 = 284.0, r2 = 285.0, r3 = 345.0, r4 = 346.0,
 rk2 =  500.0, rk3 =  500.0,    &end

# helix phi for residue 24
# 24 VAL PHI:  (23 VAL C)-(24 VAL N)-(24 VAL CA)-(24 VAL C) 270.0 330.0
 &rst     iat =   339,   341,   343,   355,
   r1 = 269.0, r2 = 270.0, r3 = 330.0, r4 = 331.0,
 rk2 =  500.0, rk3 =  500.0,    &end

# helix psi for residue 24
# 24 VAL PSI:  (24 VAL N)-(24 VAL CA)-(24 VAL C)-(25 GLU N) 285.0 345.0
 &rst     iat =   341,   343,   355,   357,
   r1 = 284.0, r2 = 285.0, r3 = 345.0, r4 = 346.0,
 rk2 =  500.0, rk3 =  500.0,    &end

# helix phi for residue 25
# 25 GLU PHI:  (24 VAL C)-(25 GLU N)-(25 GLU CA)-(25 GLU C) 270.0 330.0
 &rst     iat =   355,   357,   359,   370,
   r1 = 269.0, r2 = 270.0, r3 = 330.0, r4 = 331.0,
 rk2 =  500.0, rk3 =  500.0,    &end

# helix psi for residue 25
# 25 GLU PSI:  (25 GLU N)-(25 GLU CA)-(25 GLU C)-(26 GLU N) 285.0 345.0
 &rst     iat =   357,   359,   370,   372,
   r1 = 284.0, r2 = 285.0, r3 = 345.0, r4 = 346.0,
 rk2 =  500.0, rk3 =  500.0,    &end

# helix phi for residue 26
# 26 GLU PHI:  (25 GLU C)-(26 GLU N)-(26 GLU CA)-(26 GLU C) 270.0 330.0
 &rst     iat =   370,   372,   374,   385,
   r1 = 269.0, r2 = 270.0, r3 = 330.0, r4 = 331.0,
 rk2 =  500.0, rk3 =  500.0,    &end

# helix psi for residue 26
# 26 GLU PSI:  (26 GLU N)-(26 GLU CA)-(26 GLU C)-(27 ALA N) 285.0 345.0
 &rst     iat =   372,   374,   385,   387,
   r1 = 284.0, r2 = 285.0, r3 = 345.0, r4 = 346.0,
 rk2 =  500.0, rk3 =  500.0,    &end

# helix phi for residue 27
# 27 ALA PHI:  (26 GLU C)-(27 ALA N)-(27 ALA CA)-(27 ALA C) 270.0 330.0
 &rst     iat =   385,   387,   389,   395,
   r1 = 269.0, r2 = 270.0, r3 = 330.0, r4 = 331.0,
 rk2 =  500.0, rk3 =  500.0,    &end

# helix psi for residue 27
# 27 ALA PSI:  (27 ALA N)-(27 ALA CA)-(27 ALA C)-(28 GLU N) 285.0 345.0
 &rst     iat =   387,   389,   395,   397,
   r1 = 284.0, r2 = 285.0, r3 = 345.0, r4 = 346.0,
 rk2 =  500.0, rk3 =  500.0,    &end

# helix phi for residue 28
# 28 GLU PHI:  (27 ALA C)-(28 GLU N)-(28 GLU CA)-(28 GLU C) 270.0 330.0
 &rst     iat =   395,   397,   399,   410,
   r1 = 269.0, r2 = 270.0, r3 = 330.0, r4 = 331.0,
 rk2 =  500.0, rk3 =  500.0,    &end

# helix psi for residue 28
# 28 GLU PSI:  (28 GLU N)-(28 GLU CA)-(28 GLU C)-(29 ASN N) 285.0 345.0
 &rst     iat =   397,   399,   410,   412,
   r1 = 284.0, r2 = 285.0, r3 = 345.0, r4 = 346.0,
 rk2 =  500.0, rk3 =  500.0,    &end

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   ACE   1          HH32      ACE   1  38.911  14.494  14.967
    2    H2   ACE   1          HH33      ACE   1  38.089  13.608  16.275
    3    H3   ACE   1          HH31      ACE   1  37.720  13.231  14.576
    4    H    SER   2           H        SER   2  35.543  13.641  15.821
    5    HA   SER   2           HA       SER   2  34.276  15.763  14.538
    6    HB2  SER   2           HB2      SER   2  33.327  14.314  17.038
    7    HB3  SER   2           HB3      SER   2  32.311  15.189  15.877
    8    HG   SER   2           HG       SER   2  32.340  12.908  15.479
    9    H    ASP   3           H        ASP   3  35.774  15.862  17.732
   10    HA   ASP   3           HA       ASP   3  34.410  18.183  18.720
   11    HB2  ASP   3           HB2      ASP   3  35.690  16.420  20.019
   12    HB3  ASP   3           HB3      ASP   3  37.181  17.187  19.463
   13    H    ALA   4           H        ALA   4  36.913  17.938  16.301
   14    HA   ALA   4           HA       ALA   4  38.018  20.578  16.529
   15    HB1  ALA   4           HB1      ALA   4  39.021  18.744  15.202
   16    HB2  ALA   4           HB2      ALA   4  37.644  18.804  14.076
   17    HB3  ALA   4           HB3      ALA   4  38.743  20.191  14.215
   18    H    ALA   5           H        ALA   5  34.949  19.406  15.160
   19    HA   ALA   5           HA       ALA   5  34.251  21.933  13.878
   20    HB1  ALA   5           HB1      ALA   5  32.527  19.533  14.620
   21    HB2  ALA   5           HB2      ALA   5  32.099  20.842  13.502
   22    HB3  ALA   5           HB3      ALA   5  33.420  19.733  13.092
   23    H    VAL   6           H        VAL   6  34.369  20.961  17.125
   24    HA   VAL   6           HA       VAL   6  32.455  23.062  18.028
   25    HB   VAL   6           HB       VAL   6  33.515  20.939  19.859
   26   HG11  VAL   6          HG11      VAL   6  30.804  22.350  19.675
   27   HG12  VAL   6          HG12      VAL   6  31.328  21.254  20.972
   28   HG13  VAL   6          HG13      VAL   6  32.112  22.820  20.773
   29   HG21  VAL   6          HG21      VAL   6  31.135  20.516  17.996
   30   HG22  VAL   6          HG22      VAL   6  32.629  19.553  18.037
   31   HG23  VAL   6          HG23      VAL   6  31.526  19.504  19.405
   32    H    ASP   7           H        ASP   7  35.389  23.094  17.145
   33    HA   ASP   7           HA       ASP   7  37.345  24.075  17.605
   34    HB2  ASP   7           HB2      ASP   7  35.807  26.021  17.707
   35    HB3  ASP   7           HB3      ASP   7  35.776  25.876  19.465
   36    H    THR   8           H        THR   8  36.970  21.733  18.941
   37    HA   THR   8           HA       THR   8  37.771  20.368  20.488
   38    HB   THR   8           HB       THR   8  39.938  22.354  21.185
   39    HG1  THR   8           HG1      THR   8  39.940  22.094  18.955
   40   HG21  THR   8          HG21      THR   8  39.829  19.295  21.123
   41   HG22  THR   8          HG22      THR   8  41.241  20.287  21.551
   42   HG23  THR   8          HG23      THR   8  39.813  20.287  22.592
   43    H    SER   9           H        SER   9  35.691  20.808  21.522
   44    HA   SER   9           HA       SER   9  35.461  22.509  23.838
   45    HB2  SER   9           HB2      SER   9  33.370  21.428  24.233
   46    HB3  SER   9           HB3      SER   9  33.530  21.719  22.496
   47    HG   SER   9           HG       SER   9  34.188  19.515  22.269
   48    H    SER  10           H        SER  10  36.843  19.333  23.373
   49    HA   SER  10           HA       SER  10  36.737  18.234  25.948
   50    HB2  SER  10           HB2      SER  10  39.065  18.103  23.988
   51    HB3  SER  10           HB3      SER  10  38.743  16.975  25.316
   52    HG   SER  10           HG       SER  10  37.256  17.443  22.950
   53    H    GLU  11           H        GLU  11  38.622  21.058  25.009
   54    HA   GLU  11           HA       GLU  11  40.318  20.896  27.427
   55    HB2  GLU  11           HB2      GLU  11  40.094  23.006  25.256
   56    HB3  GLU  11           HB3      GLU  11  41.196  23.083  26.636
   57    HG2  GLU  11           HG2      GLU  11  42.216  20.909  25.909
   58    HG3  GLU  11           HG3      GLU  11  41.208  20.947  24.463
   59    H    ILE  12           H        ILE  12  37.560  22.716  26.323
   60    HA   ILE  12           HA       ILE  12  37.501  24.328  28.798
   61    HB   ILE  12           HB       ILE  12  35.722  25.648  27.762
   62   HG12  ILE  12          HG12      ILE  12  36.097  24.270  25.101
   63   HG13  ILE  12          HG13      ILE  12  35.000  23.524  26.262
   64   HG21  ILE  12          HG21      ILE  12  38.078  26.271  27.415
   65   HG22  ILE  12          HG22      ILE  12  38.131  25.308  25.924
   66   HG23  ILE  12          HG23      ILE  12  37.072  26.728  26.030
   67   HD11  ILE  12          HD11      ILE  12  34.748  26.388  25.290
   68   HD12  ILE  12          HD12      ILE  12  33.782  24.995  24.750
   69   HD13  ILE  12          HD13      ILE  12  33.666  25.541  26.432
   70    H    THR  13           H        THR  13  35.959  21.521  27.785
   71    HA   THR  13           HA       THR  13  33.432  21.561  28.717
   72    HB   THR  13           HB       THR  13  34.415  19.688  27.630
   73    HG1  THR  13           HG1      THR  13  32.657  19.053  28.789
   74   HG21  THR  13          HG21      THR  13  35.989  18.144  28.665
   75   HG22  THR  13          HG22      THR  13  36.678  19.773  28.794
   76   HG23  THR  13          HG23      THR  13  35.919  19.023  30.207
   77    H    THR  14           H        THR  14  36.183  21.547  31.063
   78    HA   THR  14           HA       THR  14  34.407  20.991  33.286
   79    HB   THR  14           HB       THR  14  37.064  22.452  33.442
   80    HG1  THR  14           HG1      THR  14  37.568  20.458  32.709
   81   HG21  THR  14          HG21      THR  14  35.254  21.054  35.463
   82   HG22  THR  14          HG22      THR  14  36.965  21.452  35.789
   83   HG23  THR  14          HG23      THR  14  35.792  22.744  35.483
   84    H    LYS  15           H        LYS  15  35.294  23.987  31.673
   85    HA   LYS  15           HA       LYS  15  33.893  25.796  33.503
   86    HB2  LYS  15           HB2      LYS  15  34.548  26.154  30.539
   87    HB3  LYS  15           HB3      LYS  15  34.003  27.406  31.648
   88    HG2  LYS  15           HG2      LYS  15  36.050  27.158  32.998
   89    HG3  LYS  15           HG3      LYS  15  36.628  25.872  31.920
   90    HD2  LYS  15           HD2      LYS  15  36.647  27.437  30.010
   91    HD3  LYS  15           HD3      LYS  15  36.027  28.736  31.057
   92    HE2  LYS  15           HE2      LYS  15  38.048  28.512  32.508
   93    HE3  LYS  15           HE3      LYS  15  38.679  27.261  31.431
   94    HZ1  LYS  15           HZ1      LYS  15  38.145  30.086  30.638
   95    HZ2  LYS  15           HZ2      LYS  15  39.620  29.447  30.908
   96    HZ3  LYS  15           HZ3      LYS  15  38.735  28.934  29.637
   97    H    ASP  16           H        ASP  16  33.011  24.021  30.540
   98    HA   ASP  16           HA       ASP  16  30.263  24.857  30.457
   99    HB2  ASP  16           HB2      ASP  16  31.497  23.661  28.608
  100    HB3  ASP  16           HB3      ASP  16  31.366  22.173  29.543
  101    H    LEU  17           H        LEU  17  31.869  22.248  32.408
  102    HA   LEU  17           HA       LEU  17  29.244  21.268  33.168
  103    HB2  LEU  17           HB2      LEU  17  32.103  20.570  33.931
  104    HB3  LEU  17           HB3      LEU  17  30.741  19.790  34.745
  105    HG   LEU  17           HG       LEU  17  30.982  19.819  31.715
  106   HD11  LEU  17          HD11      LEU  17  33.020  18.764  32.633
  107   HD12  LEU  17          HD12      LEU  17  32.027  17.701  33.656
  108   HD13  LEU  17          HD13      LEU  17  31.974  17.555  31.883
  109   HD21  LEU  17          HD21      LEU  17  29.564  17.795  31.879
  110   HD22  LEU  17          HD22      LEU  17  29.502  17.978  33.645
  111   HD23  LEU  17          HD23      LEU  17  28.765  19.199  32.585
  112    H    LYS  18           H        LYS  18  31.483  23.547  34.637
  113    HA   LYS  18           HA       LYS  18  29.831  23.815  37.063
  114    HB2  LYS  18           HB2      LYS  18  31.940  25.565  35.694
  115    HB3  LYS  18           HB3      LYS  18  30.909  26.226  36.959
  116    HG2  LYS  18           HG2      LYS  18  32.825  25.572  38.077
  117    HG3  LYS  18           HG3      LYS  18  31.608  24.355  38.475
  118    HD2  LYS  18           HD2      LYS  18  32.650  22.833  36.748
  119    HD3  LYS  18           HD3      LYS  18  33.903  24.048  36.481
  120    HE2  LYS  18           HE2      LYS  18  33.301  22.642  39.133
  121    HE3  LYS  18           HE3      LYS  18  34.568  22.162  38.005
  122    HZ1  LYS  18           HZ1      LYS  18  35.619  24.363  38.360
  123    HZ2  LYS  18           HZ2      LYS  18  34.471  24.763  39.461
  124    HZ3  LYS  18           HZ3      LYS  18  35.493  23.534  39.758
  125    H    GLU  19           H        GLU  19  29.467  24.918  33.771
  126    HA   GLU  19           HA       GLU  19  27.218  26.647  34.355
  127    HB2  GLU  19           HB2      GLU  19  28.692  26.176  32.105
  128    HB3  GLU  19           HB3      GLU  19  27.325  25.100  31.789
  129    HG2  GLU  19           HG2      GLU  19  25.777  27.020  32.265
  130    HG3  GLU  19           HG3      GLU  19  27.198  28.056  32.458
  131    H    LYS  20           H        LYS  20  27.538  23.250  33.354
  132    HA   LYS  20           HA       LYS  20  24.725  22.667  33.465
  133    HB2  LYS  20           HB2      LYS  20  27.084  20.743  33.661
  134    HB3  LYS  20           HB3      LYS  20  25.416  20.255  33.427
  135    HG2  LYS  20           HG2      LYS  20  27.108  21.818  31.457
  136    HG3  LYS  20           HG3      LYS  20  26.545  20.157  31.327
  137    HD2  LYS  20           HD2      LYS  20  24.163  21.078  31.367
  138    HD3  LYS  20           HD3      LYS  20  24.857  22.698  31.192
  139    HE2  LYS  20           HE2      LYS  20  25.258  20.363  29.270
  140    HE3  LYS  20           HE3      LYS  20  24.097  21.673  29.055
  141    HZ1  LYS  20           HZ1      LYS  20  26.011  23.243  28.999
  142    HZ2  LYS  20           HZ2      LYS  20  27.077  21.993  29.084
  143    HZ3  LYS  20           HZ3      LYS  20  26.093  22.147  27.797
  144    H    LYS  21           H        LYS  21  26.872  22.928  36.082
  145    HA   LYS  21           HA       LYS  21  25.128  21.502  38.026
  146    HB2  LYS  21           HB2      LYS  21  27.891  22.736  38.247
  147    HB3  LYS  21           HB3      LYS  21  26.962  22.174  39.645
  148    HG2  LYS  21           HG2      LYS  21  26.795  19.917  38.691
  149    HG3  LYS  21           HG3      LYS  21  27.698  20.423  37.255
  150    HD2  LYS  21           HD2      LYS  21  29.656  20.974  38.657
  151    HD3  LYS  21           HD3      LYS  21  28.791  20.463  40.111
  152    HE2  LYS  21           HE2      LYS  21  29.408  18.661  37.715
  153    HE3  LYS  21           HE3      LYS  21  30.416  18.775  39.158
  154    HZ1  LYS  21           HZ1      LYS  21  27.593  17.816  39.134
  155    HZ2  LYS  21           HZ2      LYS  21  28.919  16.895  39.342
  156    HZ3  LYS  21           HZ3      LYS  21  28.509  17.984  40.482
  157    H    GLU  22           H        GLU  22  25.580  24.639  36.787
  158    HA   GLU  22           HA       GLU  22  24.640  26.046  39.259
  159    HB2  GLU  22           HB2      GLU  22  26.672  26.963  38.248
  160    HB3  GLU  22           HB3      GLU  22  25.836  27.175  36.698
  161    HG2  GLU  22           HG2      GLU  22  24.278  28.778  37.750
  162    HG3  GLU  22           HG3      GLU  22  25.031  28.503  39.323
  163    H    VAL  23           H        VAL  23  24.070  25.857  35.732
  164    HA   VAL  23           HA       VAL  23  21.444  26.877  35.619
  165    HB   VAL  23           HB       VAL  23  23.096  25.994  33.771
  166   HG11  VAL  23          HG11      VAL  23  22.648  23.913  32.738
  167   HG12  VAL  23          HG12      VAL  23  23.064  23.605  34.430
  168   HG13  VAL  23          HG13      VAL  23  21.372  23.510  33.900
  169   HG21  VAL  23          HG21      VAL  23  20.903  27.122  33.351
  170   HG22  VAL  23          HG22      VAL  23  21.215  25.832  32.173
  171   HG23  VAL  23          HG23      VAL  23  20.091  25.543  33.518
  172    H    VAL  24           H        VAL  24  22.700  23.708  36.628
  173    HA   VAL  24           HA       VAL  24  19.883  22.720  36.728
  174    HB   VAL  24           HB       VAL  24  21.880  21.342  36.078
  175   HG11  VAL  24          HG11      VAL  24  22.876  19.948  37.802
  176   HG12  VAL  24          HG12      VAL  24  23.007  21.618  38.396
  177   HG13  VAL  24          HG13      VAL  24  21.756  20.560  39.040
  178   HG21  VAL  24          HG21      VAL  24  20.701  19.285  36.635
  179   HG22  VAL  24          HG22      VAL  24  19.660  20.179  37.769
  180   HG23  VAL  24          HG23      VAL  24  19.619  20.540  36.024
  181    H    GLU  25           H        GLU  25  22.149  23.817  39.261
  182    HA   GLU  25           HA       GLU  25  20.311  23.245  41.425
  183    HB2  GLU  25           HB2      GLU  25  22.684  25.081  41.071
  184    HB3  GLU  25           HB3      GLU  25  21.627  25.223  42.489
  185    HG2  GLU  25           HG2      GLU  25  21.982  22.796  42.971
  186    HG3  GLU  25           HG3      GLU  25  23.162  22.726  41.666
  187    H    GLU  26           H        GLU  26  20.683  26.024  39.240
  188    HA   GLU  26           HA       GLU  26  18.526  27.554  40.402
  189    HB2  GLU  26           HB2      GLU  26  19.902  27.614  37.699
  190    HB3  GLU  26           HB3      GLU  26  18.566  28.689  38.081
  191    HG2  GLU  26           HG2      GLU  26  21.087  28.548  39.782
  192    HG3  GLU  26           HG3      GLU  26  20.879  29.651  38.428
  193    H    ALA  27           H        ALA  27  18.405  24.710  38.420
  194    HA   ALA  27           HA       ALA  27  15.592  25.149  37.651
  195    HB1  ALA  27           HB1      ALA  27  17.333  22.668  37.378
  196    HB2  ALA  27           HB2      ALA  27  15.753  22.953  36.634
  197    HB3  ALA  27           HB3      ALA  27  17.144  23.939  36.146
  198    H    GLU  28           H        GLU  28  17.350  23.793  40.359
  199    HA   GLU  28           HA       GLU  28  14.950  22.439  41.477
  200    HB2  GLU  28           HB2      GLU  28  17.824  22.666  42.448
  201    HB3  GLU  28           HB3      GLU  28  16.517  21.886  43.346
  202    HG2  GLU  28           HG2      GLU  28  16.133  20.339  41.421
  203    HG3  GLU  28           HG3      GLU  28  17.534  21.028  40.605
  204    H    ASN  29           H        ASN  29  16.765  25.417  41.855
  205    HA   ASN  29           HA       ASN  29  15.822  26.280  44.387
  206    HB2  ASN  29           HB2      ASN  29  17.825  27.144  43.179
  207    HB3  ASN  29           HB3      ASN  29  16.771  27.884  41.978
  208   HD21  ASN  29          HD22      ASN  29  18.177  29.769  42.681
  209   HD22  ASN  29          HD21      ASN  29  17.554  30.712  44.049
  Start of MODEL    2
    1    H1   ACE   1          HH32      ACE   1  39.461  14.228  15.330
    2    H2   ACE   1          HH33      ACE   1  38.545  14.009  16.834
    3    H3   ACE   1          HH31      ACE   1  38.091  13.026  15.513
    4    H    SER   2           H        SER   2  36.054  14.394  16.310
    5    HA   SER   2           HA       SER   2  35.390  16.377  14.374
    6    HB2  SER   2           HB2      SER   2  33.326  16.445  15.435
    7    HB3  SER   2           HB3      SER   2  33.858  14.786  14.913
    8    HG   SER   2           HG       SER   2  33.119  15.702  17.289
    9    H    ASP   3           H        ASP   3  36.806  16.523  17.566
   10    HA   ASP   3           HA       ASP   3  35.612  18.879  18.502
   11    HB2  ASP   3           HB2      ASP   3  36.875  16.864  19.627
   12    HB3  ASP   3           HB3      ASP   3  38.328  17.724  19.316
   13    H    ALA   4           H        ALA   4  38.135  18.490  16.465
   14    HA   ALA   4           HA       ALA   4  39.601  20.937  16.404
   15    HB1  ALA   4           HB1      ALA   4  40.271  19.174  15.103
   16    HB2  ALA   4           HB2      ALA   4  38.845  19.056  14.111
   17    HB3  ALA   4           HB3      ALA   4  39.744  20.520  13.955
   18    H    ALA   5           H        ALA   5  36.435  19.991  14.824
   19    HA   ALA   5           HA       ALA   5  35.892  22.507  13.760
   20    HB1  ALA   5           HB1      ALA   5  33.621  21.801  13.324
   21    HB2  ALA   5           HB2      ALA   5  34.542  20.249  13.010
   22    HB3  ALA   5           HB3      ALA   5  33.725  20.538  14.540
   23    H    VAL   6           H        VAL   6  36.060  22.036  17.172
   24    HA   VAL   6           HA       VAL   6  33.971  23.973  17.724
   25    HB   VAL   6           HB       VAL   6  34.525  21.866  19.671
   26   HG11  VAL   6          HG11      VAL   6  32.245  24.011  19.413
   27   HG12  VAL   6          HG12      VAL   6  32.146  22.562  20.413
   28   HG13  VAL   6          HG13      VAL   6  33.424  23.865  20.588
   29   HG21  VAL   6          HG21      VAL   6  32.612  21.913  17.378
   30   HG22  VAL   6          HG22      VAL   6  33.552  20.537  17.949
   31   HG23  VAL   6          HG23      VAL   6  32.104  21.072  18.824
   32    H    ASP   7           H        ASP   7  37.340  23.714  17.527
   33    HA   ASP   7           HA       ASP   7  39.123  24.607  18.325
   34    HB2  ASP   7           HB2      ASP   7  37.772  26.596  18.370
   35    HB3  ASP   7           HB3      ASP   7  37.454  26.531  20.121
   36    H    THR   8           H        THR   8  38.507  22.411  19.111
   37    HA   THR   8           HA       THR   8  38.724  20.590  20.449
   38    HB   THR   8           HB       THR   8  41.078  21.770  21.712
   39    HG1  THR   8           HG1      THR   8  41.098  22.247  19.433
   40   HG21  THR   8          HG21      THR   8  41.954  19.362  21.568
   41   HG22  THR   8          HG22      THR   8  40.586  19.636  22.622
   42   HG23  THR   8          HG23      THR   8  40.366  18.932  20.998
   43    H    SER   9           H        SER   9  36.607  21.547  21.437
   44    HA   SER   9           HA       SER   9  36.259  22.685  24.024
   45    HB2  SER   9           HB2      SER   9  34.083  21.995  23.786
   46    HB3  SER   9           HB3      SER   9  34.660  22.316  22.127
   47    HG   SER   9           HG       SER   9  35.135  20.162  22.039
   48    H    SER  10           H        SER  10  37.481  19.363  23.493
   49    HA   SER  10           HA       SER  10  36.505  18.370  26.134
   50    HB2  SER  10           HB2      SER  10  38.571  17.102  24.428
   51    HB3  SER  10           HB3      SER  10  37.451  16.359  25.637
   52    HG   SER  10           HG       SER  10  36.924  17.432  23.060
   53    H    GLU  11           H        GLU  11  38.654  20.705  25.525
   54    HA   GLU  11           HA       GLU  11  40.520  20.039  27.753
   55    HB2  GLU  11           HB2      GLU  11  40.596  22.117  25.517
   56    HB3  GLU  11           HB3      GLU  11  41.567  22.271  26.945
   57    HG2  GLU  11           HG2      GLU  11  42.536  19.895  26.411
   58    HG3  GLU  11           HG3      GLU  11  41.512  19.892  24.955
   59    H    ILE  12           H        ILE  12  37.998  22.256  26.652
   60    HA   ILE  12           HA       ILE  12  38.351  23.824  28.925
   61    HB   ILE  12           HB       ILE  12  36.919  25.366  28.142
   62   HG12  ILE  12          HG12      ILE  12  36.519  23.605  25.647
   63   HG13  ILE  12          HG13      ILE  12  35.430  23.708  26.932
   64   HG21  ILE  12          HG21      ILE  12  39.331  25.422  27.535
   65   HG22  ILE  12          HG22      ILE  12  39.091  24.610  26.070
   66   HG23  ILE  12          HG23      ILE  12  38.314  26.273  26.314
   67   HD11  ILE  12          HD11      ILE  12  36.211  26.198  25.420
   68   HD12  ILE  12          HD12      ILE  12  34.806  25.064  25.036
   69   HD13  ILE  12          HD13      ILE  12  34.856  25.901  26.566
   70    H    THR  13           H        THR  13  36.224  21.344  28.017
   71    HA   THR  13           HA       THR  13  33.658  21.571  28.771
   72    HB   THR  13           HB       THR  13  34.569  19.779  27.798
   73    HG1  THR  13           HG1      THR  13  33.578  18.282  28.904
   74   HG21  THR  13          HG21      THR  13  36.756  19.427  28.622
   75   HG22  THR  13          HG22      THR  13  36.144  18.951  30.185
   76   HG23  THR  13          HG23      THR  13  35.951  17.990  28.802
   77    H    THR  14           H        THR  14  36.299  21.423  31.351
   78    HA   THR  14           HA       THR  14  34.331  20.905  33.402
   79    HB   THR  14           HB       THR  14  36.857  22.533  34.159
   80    HG1  THR  14           HG1      THR  14  37.650  20.799  33.123
   81   HG21  THR  14          HG21      THR  14  36.522  20.856  36.109
   82   HG22  THR  14          HG22      THR  14  35.315  22.244  35.931
   83   HG23  THR  14          HG23      THR  14  34.904  20.648  35.348
   84    H    LYS  15           H        LYS  15  35.309  23.992  31.840
   85    HA   LYS  15           HA       LYS  15  33.849  25.747  33.657
   86    HB2  LYS  15           HB2      LYS  15  34.407  26.130  30.691
   87    HB3  LYS  15           HB3      LYS  15  33.761  27.299  31.853
   88    HG2  LYS  15           HG2      LYS  15  35.502  27.563  33.094
   89    HG3  LYS  15           HG3      LYS  15  36.300  26.116  32.829
   90    HD2  LYS  15           HD2      LYS  15  36.812  26.705  30.467
   91    HD3  LYS  15           HD3      LYS  15  36.046  28.317  30.696
   92    HE2  LYS  15           HE2      LYS  15  37.543  28.646  32.633
   93    HE3  LYS  15           HE3      LYS  15  38.644  27.408  31.856
   94    HZ1  LYS  15           HZ1      LYS  15  37.836  29.847  30.488
   95    HZ2  LYS  15           HZ2      LYS  15  39.094  29.693  31.381
   96    HZ3  LYS  15           HZ3      LYS  15  38.981  28.826  30.060
   97    H    ASP  16           H        ASP  16  33.023  24.100  30.639
   98    HA   ASP  16           HA       ASP  16  30.197  24.828  30.416
   99    HB2  ASP  16           HB2      ASP  16  31.409  23.982  28.564
  100    HB3  ASP  16           HB3      ASP  16  31.554  22.374  29.246
  101    H    LEU  17           H        LEU  17  31.831  22.357  32.343
  102    HA   LEU  17           HA       LEU  17  29.246  21.225  33.117
  103    HB2  LEU  17           HB2      LEU  17  32.117  20.385  33.731
  104    HB3  LEU  17           HB3      LEU  17  30.676  19.483  34.410
  105    HG   LEU  17           HG       LEU  17  31.041  19.960  31.452
  106   HD11  LEU  17          HD11      LEU  17  32.320  17.832  33.264
  107   HD12  LEU  17          HD12      LEU  17  32.464  17.680  31.483
  108   HD13  LEU  17          HD13      LEU  17  33.196  18.993  32.342
  109   HD21  LEU  17          HD21      LEU  17  29.853  17.645  32.952
  110   HD22  LEU  17          HD22      LEU  17  28.907  19.061  32.467
  111   HD23  LEU  17          HD23      LEU  17  29.696  17.939  31.307
  112    H    LYS  18           H        LYS  18  31.466  23.245  34.691
  113    HA   LYS  18           HA       LYS  18  29.698  23.627  37.010
  114    HB2  LYS  18           HB2      LYS  18  32.029  25.179  35.704
  115    HB3  LYS  18           HB3      LYS  18  31.080  25.955  36.991
  116    HG2  LYS  18           HG2      LYS  18  32.704  25.075  38.405
  117    HG3  LYS  18           HG3      LYS  18  31.491  23.866  38.491
  118    HD2  LYS  18           HD2      LYS  18  32.548  22.479  36.802
  119    HD3  LYS  18           HD3      LYS  18  33.854  23.737  36.785
  120    HE2  LYS  18           HE2      LYS  18  32.846  22.058  39.053
  121    HE3  LYS  18           HE3      LYS  18  34.263  21.594  38.213
  122    HZ1  LYS  18           HZ1      LYS  18  35.236  23.743  39.001
  123    HZ2  LYS  18           HZ2      LYS  18  33.941  23.922  40.027
  124    HZ3  LYS  18           HZ3      LYS  18  34.996  22.627  40.125
  125    H    GLU  19           H        GLU  19  29.671  24.979  33.787
  126    HA   GLU  19           HA       GLU  19  27.554  26.661  34.260
  127    HB2  GLU  19           HB2      GLU  19  28.985  26.546  32.187
  128    HB3  GLU  19           HB3      GLU  19  27.952  25.088  31.692
  129    HG2  GLU  19           HG2      GLU  19  26.077  26.455  31.554
  130    HG3  GLU  19           HG3      GLU  19  26.955  27.864  32.345
  131    H    LYS  20           H        LYS  20  27.659  23.303  33.386
  132    HA   LYS  20           HA       LYS  20  24.847  22.705  33.399
  133    HB2  LYS  20           HB2      LYS  20  27.148  20.749  34.006
  134    HB3  LYS  20           HB3      LYS  20  25.444  20.387  33.801
  135    HG2  LYS  20           HG2      LYS  20  27.260  21.479  31.768
  136    HG3  LYS  20           HG3      LYS  20  26.526  19.904  31.810
  137    HD2  LYS  20           HD2      LYS  20  24.228  21.336  31.633
  138    HD3  LYS  20           HD3      LYS  20  25.346  22.584  30.985
  139    HE2  LYS  20           HE2      LYS  20  25.025  19.801  29.881
  140    HE3  LYS  20           HE3      LYS  20  24.429  21.232  29.222
  141    HZ1  LYS  20           HZ1      LYS  20  26.224  21.249  28.011
  142    HZ2  LYS  20           HZ2      LYS  20  26.770  22.104  29.196
  143    HZ3  LYS  20           HZ3      LYS  20  27.153  20.492  29.147
  144    H    LYS  21           H        LYS  21  26.901  23.570  36.003
  145    HA   LYS  21           HA       LYS  21  25.383  21.979  37.982
  146    HB2  LYS  21           HB2      LYS  21  28.014  23.335  38.214
  147    HB3  LYS  21           HB3      LYS  21  27.102  23.075  39.667
  148    HG2  LYS  21           HG2      LYS  21  28.070  20.873  37.707
  149    HG3  LYS  21           HG3      LYS  21  28.748  21.187  39.270
  150    HD2  LYS  21           HD2      LYS  21  26.629  20.781  40.336
  151    HD3  LYS  21           HD3      LYS  21  25.944  20.091  38.914
  152    HE2  LYS  21           HE2      LYS  21  27.732  18.560  38.594
  153    HE3  LYS  21           HE3      LYS  21  28.398  19.149  40.123
  154    HZ1  LYS  21           HZ1      LYS  21  25.842  17.675  39.884
  155    HZ2  LYS  21           HZ2      LYS  21  27.225  17.230  40.501
  156    HZ3  LYS  21           HZ3      LYS  21  26.484  18.424  41.319
  157    H    GLU  22           H        GLU  22  25.425  25.032  36.550
  158    HA   GLU  22           HA       GLU  22  24.632  26.739  38.892
  159    HB2  GLU  22           HB2      GLU  22  26.689  27.367  37.532
  160    HB3  GLU  22           HB3      GLU  22  25.508  27.760  36.234
  161    HG2  GLU  22           HG2      GLU  22  24.462  29.193  38.113
  162    HG3  GLU  22           HG3      GLU  22  25.754  28.807  39.108
  163    H    VAL  23           H        VAL  23  24.041  25.761  35.702
  164    HA   VAL  23           HA       VAL  23  21.330  26.628  35.468
  165    HB   VAL  23           HB       VAL  23  23.123  25.720  33.606
  166   HG11  VAL  23          HG11      VAL  23  21.564  23.136  33.770
  167   HG12  VAL  23          HG12      VAL  23  22.679  23.808  32.504
  168   HG13  VAL  23          HG13      VAL  23  23.174  23.542  34.259
  169   HG21  VAL  23          HG21      VAL  23  20.886  25.377  32.178
  170   HG22  VAL  23          HG22      VAL  23  19.977  25.341  33.742
  171   HG23  VAL  23          HG23      VAL  23  20.720  26.832  33.271
  172    H    VAL  24           H        VAL  24  22.658  23.575  36.490
  173    HA   VAL  24           HA       VAL  24  20.050  22.570  36.648
  174    HB   VAL  24           HB       VAL  24  22.215  21.272  36.068
  175   HG11  VAL  24          HG11      VAL  24  23.372  21.793  38.179
  176   HG12  VAL  24          HG12      VAL  24  22.130  20.723  39.030
  177   HG13  VAL  24          HG13      VAL  24  23.245  19.996  37.813
  178   HG21  VAL  24          HG21      VAL  24  21.170  19.165  36.626
  179   HG22  VAL  24          HG22      VAL  24  20.231  19.885  37.850
  180   HG23  VAL  24          HG23      VAL  24  19.904  20.322  36.120
  181    H    GLU  25           H        GLU  25  22.151  24.004  39.146
  182    HA   GLU  25           HA       GLU  25  20.417  23.157  41.394
  183    HB2  GLU  25           HB2      GLU  25  22.710  25.140  41.123
  184    HB3  GLU  25           HB3      GLU  25  21.776  24.740  42.604
  185    HG2  GLU  25           HG2      GLU  25  23.672  22.832  41.152
  186    HG3  GLU  25           HG3      GLU  25  23.984  23.749  42.621
  187    H    GLU  26           H        GLU  26  20.681  26.076  39.311
  188    HA   GLU  26           HA       GLU  26  18.596  27.481  40.798
  189    HB2  GLU  26           HB2      GLU  26  19.934  27.794  38.021
  190    HB3  GLU  26           HB3      GLU  26  18.684  28.882  38.520
  191    HG2  GLU  26           HG2      GLU  26  21.249  28.378  40.050
  192    HG3  GLU  26           HG3      GLU  26  21.108  29.759  39.026
  193    H    ALA  27           H        ALA  27  18.447  24.975  38.267
  194    HA   ALA  27           HA       ALA  27  15.633  25.427  37.788
  195    HB1  ALA  27           HB1      ALA  27  15.893  23.233  36.719
  196    HB2  ALA  27           HB2      ALA  27  17.010  24.510  36.086
  197    HB3  ALA  27           HB3      ALA  27  17.622  23.279  37.086
  198    H    GLU  28           H        GLU  28  17.617  23.662  40.153
  199    HA   GLU  28           HA       GLU  28  15.410  22.166  41.214
  200    HB2  GLU  28           HB2      GLU  28  17.836  21.610  41.145
  201    HB3  GLU  28           HB3      GLU  28  17.984  22.808  42.476
  202    HG2  GLU  28           HG2      GLU  28  16.444  21.165  43.797
  203    HG3  GLU  28           HG3      GLU  28  16.550  20.058  42.454
  204    H    ASN  29           H        ASN  29  16.392  25.498  41.737
  205    HA   ASN  29           HA       ASN  29  15.914  25.431  44.640
  206    HB2  ASN  29           HB2      ASN  29  17.925  26.364  43.768
  207    HB3  ASN  29           HB3      ASN  29  17.053  27.595  42.756
  208   HD21  ASN  29          HD22      ASN  29  18.641  29.059  43.819
  209   HD22  ASN  29          HD21      ASN  29  18.061  29.798  45.231
  Start of MODEL    3
    1    H1   ACE   1          HH32      ACE   1  41.084  16.364  14.603
    2    H2   ACE   1          HH33      ACE   1  41.412  17.783  13.561
    3    H3   ACE   1          HH31      ACE   1  41.598  17.918  15.297
    4    H    SER   2           H        SER   2  39.018  15.942  15.062
    5    HA   SER   2           HA       SER   2  36.876  17.356  14.008
    6    HB2  SER   2           HB2      SER   2  36.388  15.433  16.301
    7    HB3  SER   2           HB3      SER   2  35.446  15.958  14.842
    8    HG   SER   2           HG       SER   2  36.593  13.920  15.050
    9    H    ASP   3           H        ASP   3  37.932  17.440  17.468
   10    HA   ASP   3           HA       ASP   3  36.226  19.383  18.427
   11    HB2  ASP   3           HB2      ASP   3  37.925  17.957  19.797
   12    HB3  ASP   3           HB3      ASP   3  39.091  19.149  19.388
   13    H    ALA   4           H        ALA   4  38.265  20.153  15.854
   14    HA   ALA   4           HA       ALA   4  38.495  23.109  16.346
   15    HB1  ALA   4           HB1      ALA   4  40.025  21.882  14.640
   16    HB2  ALA   4           HB2      ALA   4  38.557  21.200  13.948
   17    HB3  ALA   4           HB3      ALA   4  38.892  22.989  13.943
   18    H    ALA   5           H        ALA   5  36.237  20.923  14.982
   19    HA   ALA   5           HA       ALA   5  34.444  23.004  14.027
   20    HB1  ALA   5           HB1      ALA   5  33.839  20.084  14.603
   21    HB2  ALA   5           HB2      ALA   5  32.853  21.114  13.562
   22    HB3  ALA   5           HB3      ALA   5  34.401  20.800  12.931
   23    H    VAL   6           H        VAL   6  34.782  21.476  16.984
   24    HA   VAL   6           HA       VAL   6  32.428  22.701  18.101
   25    HB   VAL   6           HB       VAL   6  34.260  20.678  19.446
   26   HG11  VAL   6          HG11      VAL   6  32.276  20.124  20.789
   27   HG12  VAL   6          HG12      VAL   6  32.600  21.901  20.904
   28   HG13  VAL   6          HG13      VAL   6  31.272  21.267  19.913
   29   HG21  VAL   6          HG21      VAL   6  31.698  20.225  17.886
   30   HG22  VAL   6          HG22      VAL   6  33.333  19.683  17.469
   31   HG23  VAL   6          HG23      VAL   6  32.568  18.965  18.844
   32    H    ASP   7           H        ASP   7  35.354  23.749  17.465
   33    HA   ASP   7           HA       ASP   7  36.850  25.374  18.074
   34    HB2  ASP   7           HB2      ASP   7  34.887  26.675  18.194
   35    HB3  ASP   7           HB3      ASP   7  34.607  26.388  19.886
   36    H    THR   8           H        THR   8  37.620  23.248  19.295
   37    HA   THR   8           HA       THR   8  38.907  22.376  20.915
   38    HB   THR   8           HB       THR   8  39.864  25.169  21.627
   39    HG1  THR   8           HG1      THR   8  40.181  25.066  19.546
   40   HG21  THR   8          HG21      THR   8  40.737  23.787  23.130
   41   HG22  THR   8          HG22      THR   8  41.044  22.482  21.936
   42   HG23  THR   8          HG23      THR   8  42.036  24.034  21.879
   43    H    SER   9           H        SER   9  36.376  22.227  21.671
   44    HA   SER   9           HA       SER   9  35.642  23.238  24.286
   45    HB2  SER   9           HB2      SER   9  33.774  21.814  24.009
   46    HB3  SER   9           HB3      SER   9  34.266  22.187  22.319
   47    HG   SER   9           HG       SER   9  35.067  20.120  22.146
   48    H    SER  10           H        SER  10  37.696  20.643  23.305
   49    HA   SER  10           HA       SER  10  37.427  19.113  25.783
   50    HB2  SER  10           HB2      SER  10  39.872  19.049  23.925
   51    HB3  SER  10           HB3      SER  10  39.321  17.880  25.184
   52    HG   SER  10           HG       SER  10  38.179  18.795  22.759
   53    H    GLU  11           H        GLU  11  39.057  22.170  25.260
   54    HA   GLU  11           HA       GLU  11  40.864  21.764  27.654
   55    HB2  GLU  11           HB2      GLU  11  40.816  23.775  25.485
   56    HB3  GLU  11           HB3      GLU  11  41.400  24.230  27.105
   57    HG2  GLU  11           HG2      GLU  11  42.882  22.169  27.010
   58    HG3  GLU  11           HG3      GLU  11  42.759  22.136  25.336
   59    H    ILE  12           H        ILE  12  37.932  23.470  26.480
   60    HA   ILE  12           HA       ILE  12  37.847  24.997  29.028
   61    HB   ILE  12           HB       ILE  12  35.997  26.246  28.188
   62   HG12  ILE  12          HG12      ILE  12  36.373  24.813  25.440
   63   HG13  ILE  12          HG13      ILE  12  35.441  23.907  26.623
   64   HG21  ILE  12          HG21      ILE  12  38.281  26.189  26.193
   65   HG22  ILE  12          HG22      ILE  12  37.044  27.453  26.157
   66   HG23  ILE  12          HG23      ILE  12  38.034  27.271  27.593
   67   HD11  ILE  12          HD11      ILE  12  33.845  25.367  25.357
   68   HD12  ILE  12          HD12      ILE  12  33.841  25.668  27.050
   69   HD13  ILE  12          HD13      ILE  12  34.770  26.740  25.993
   70    H    THR  13           H        THR  13  36.396  22.159  27.921
   71    HA   THR  13           HA       THR  13  33.904  22.098  28.749
   72    HB   THR  13           HB       THR  13  35.053  20.332  27.759
   73    HG1  THR  13           HG1      THR  13  33.287  19.673  29.066
   74   HG21  THR  13          HG21      THR  13  36.565  18.800  28.729
   75   HG22  THR  13          HG22      THR  13  37.224  20.489  28.631
   76   HG23  THR  13          HG23      THR  13  36.770  19.937  30.168
   77    H    THR  14           H        THR  14  36.466  22.186  31.325
   78    HA   THR  14           HA       THR  14  34.875  21.144  33.385
   79    HB   THR  14           HB       THR  14  36.818  23.386  33.503
   80    HG1  THR  14           HG1      THR  14  37.972  21.796  33.021
   81   HG21  THR  14          HG21      THR  14  35.506  23.506  35.407
   82   HG22  THR  14          HG22      THR  14  35.650  21.697  35.584
   83   HG23  THR  14          HG23      THR  14  37.047  22.736  35.949
   84    H    LYS  15           H        LYS  15  35.248  24.463  32.051
   85    HA   LYS  15           HA       LYS  15  33.535  26.071  33.740
   86    HB2  LYS  15           HB2      LYS  15  34.374  26.466  30.802
   87    HB3  LYS  15           HB3      LYS  15  33.715  27.705  31.869
   88    HG2  LYS  15           HG2      LYS  15  35.644  27.601  33.389
   89    HG3  LYS  15           HG3      LYS  15  36.338  26.261  32.501
   90    HD2  LYS  15           HD2      LYS  15  36.622  27.881  30.566
   91    HD3  LYS  15           HD3      LYS  15  35.938  29.192  31.415
   92    HE2  LYS  15           HE2      LYS  15  37.403  29.562  32.883
   93    HE3  LYS  15           HE3      LYS  15  37.939  27.879  33.032
   94    HZ1  LYS  15           HZ1      LYS  15  38.767  29.880  31.025
   95    HZ2  LYS  15           HZ2      LYS  15  39.740  28.951  31.970
   96    HZ3  LYS  15           HZ3      LYS  15  39.052  28.219  30.780
   97    H    ASP  16           H        ASP  16  32.931  24.481  30.621
   98    HA   ASP  16           HA       ASP  16  30.110  24.883  30.466
   99    HB2  ASP  16           HB2      ASP  16  31.585  23.992  28.697
  100    HB3  ASP  16           HB3      ASP  16  31.655  22.534  29.546
  101    H    LEU  17           H        LEU  17  31.775  22.565  32.639
  102    HA   LEU  17           HA       LEU  17  29.359  21.006  33.006
  103    HB2  LEU  17           HB2      LEU  17  32.238  20.485  33.979
  104    HB3  LEU  17           HB3      LEU  17  30.881  19.473  34.456
  105    HG   LEU  17           HG       LEU  17  31.309  20.030  31.506
  106   HD11  LEU  17          HD11      LEU  17  33.351  19.061  32.252
  107   HD12  LEU  17          HD12      LEU  17  32.481  17.809  33.070
  108   HD13  LEU  17          HD13      LEU  17  32.397  18.112  31.219
  109   HD21  LEU  17          HD21      LEU  17  29.835  17.584  32.761
  110   HD22  LEU  17          HD22      LEU  17  29.074  19.092  32.395
  111   HD23  LEU  17          HD23      LEU  17  29.992  18.111  31.158
  112    H    LYS  18           H        LYS  18  31.462  23.256  34.707
  113    HA   LYS  18           HA       LYS  18  29.676  23.347  37.004
  114    HB2  LYS  18           HB2      LYS  18  32.203  25.107  36.138
  115    HB3  LYS  18           HB3      LYS  18  31.110  25.753  37.184
  116    HG2  LYS  18           HG2      LYS  18  32.263  24.612  38.798
  117    HG3  LYS  18           HG3      LYS  18  31.298  23.282  38.356
  118    HD2  LYS  18           HD2      LYS  18  33.019  22.481  36.794
  119    HD3  LYS  18           HD3      LYS  18  33.998  23.955  37.196
  120    HE2  LYS  18           HE2      LYS  18  33.313  21.894  39.172
  121    HE3  LYS  18           HE3      LYS  18  34.702  21.836  38.080
  122    HZ1  LYS  18           HZ1      LYS  18  35.535  23.845  39.225
  123    HZ2  LYS  18           HZ2      LYS  18  34.203  24.074  40.093
  124    HZ3  LYS  18           HZ3      LYS  18  35.081  22.882  40.416
  125    H    GLU  19           H        GLU  19  29.460  24.836  33.822
  126    HA   GLU  19           HA       GLU  19  27.237  26.538  34.651
  127    HB2  GLU  19           HB2      GLU  19  28.558  26.169  32.203
  128    HB3  GLU  19           HB3      GLU  19  27.357  25.013  32.016
  129    HG2  GLU  19           HG2      GLU  19  25.645  26.749  32.333
  130    HG3  GLU  19           HG3      GLU  19  26.853  27.937  32.676
  131    H    LYS  20           H        LYS  20  27.476  23.280  33.229
  132    HA   LYS  20           HA       LYS  20  24.755  22.468  33.382
  133    HB2  LYS  20           HB2      LYS  20  27.058  20.562  33.861
  134    HB3  LYS  20           HB3      LYS  20  25.495  20.166  33.546
  135    HG2  LYS  20           HG2      LYS  20  27.447  21.116  31.541
  136    HG3  LYS  20           HG3      LYS  20  26.230  19.774  31.551
  137    HD2  LYS  20           HD2      LYS  20  24.550  21.745  31.192
  138    HD3  LYS  20           HD3      LYS  20  25.880  22.705  30.862
  139    HE2  LYS  20           HE2      LYS  20  25.762  20.115  29.299
  140    HE3  LYS  20           HE3      LYS  20  24.608  21.360  28.969
  141    HZ1  LYS  20           HZ1      LYS  20  26.504  21.765  27.565
  142    HZ2  LYS  20           HZ2      LYS  20  26.637  22.841  28.788
  143    HZ3  LYS  20           HZ3      LYS  20  27.499  21.518  28.884
  144    H    LYS  21           H        LYS  21  26.926  22.495  35.992
  145    HA   LYS  21           HA       LYS  21  25.208  21.416  38.051
  146    HB2  LYS  21           HB2      LYS  21  27.882  22.846  38.131
  147    HB3  LYS  21           HB3      LYS  21  27.001  22.454  39.505
  148    HG2  LYS  21           HG2      LYS  21  26.877  20.031  38.966
  149    HG3  LYS  21           HG3      LYS  21  27.768  20.237  37.385
  150    HD2  LYS  21           HD2      LYS  21  29.575  21.239  38.406
  151    HD3  LYS  21           HD3      LYS  21  28.867  20.894  40.061
  152    HE2  LYS  21           HE2      LYS  21  29.973  18.975  37.946
  153    HE3  LYS  21           HE3      LYS  21  30.699  19.484  39.259
  154    HZ1  LYS  21           HZ1      LYS  21  28.296  17.665  39.350
  155    HZ2  LYS  21           HZ2      LYS  21  29.733  17.296  39.835
  156    HZ3  LYS  21           HZ3      LYS  21  28.919  18.385  40.704
  157    H    GLU  22           H        GLU  22  25.473  24.558  36.523
  158    HA   GLU  22           HA       GLU  22  24.602  25.941  39.056
  159    HB2  GLU  22           HB2      GLU  22  26.471  27.003  38.125
  160    HB3  GLU  22           HB3      GLU  22  25.621  27.187  36.488
  161    HG2  GLU  22           HG2      GLU  22  24.030  28.641  37.635
  162    HG3  GLU  22           HG3      GLU  22  24.814  28.593  39.107
  163    H    VAL  23           H        VAL  23  23.966  25.716  35.589
  164    HA   VAL  23           HA       VAL  23  21.188  26.413  35.487
  165    HB   VAL  23           HB       VAL  23  23.178  25.796  33.693
  166   HG11  VAL  23          HG11      VAL  23  22.924  23.812  32.463
  167   HG12  VAL  23          HG12      VAL  23  23.171  23.401  34.266
  168   HG13  VAL  23          HG13      VAL  23  21.609  23.311  33.573
  169   HG21  VAL  23          HG21      VAL  23  21.107  26.912  33.077
  170   HG22  VAL  23          HG22      VAL  23  21.329  25.591  31.964
  171   HG23  VAL  23          HG23      VAL  23  20.220  25.299  33.339
  172    H    VAL  24           H        VAL  24  22.672  23.203  36.339
  173    HA   VAL  24           HA       VAL  24  19.838  22.302  36.645
  174    HB   VAL  24           HB       VAL  24  21.664  20.909  35.732
  175   HG11  VAL  24          HG11      VAL  24  23.132  19.641  37.388
  176   HG12  VAL  24          HG12      VAL  24  23.008  21.190  38.314
  177   HG13  VAL  24          HG13      VAL  24  21.941  19.890  38.696
  178   HG21  VAL  24          HG21      VAL  24  20.755  18.839  36.387
  179   HG22  VAL  24          HG22      VAL  24  19.868  19.616  37.710
  180   HG23  VAL  24          HG23      VAL  24  19.520  20.036  36.138
  181    H    GLU  25           H        GLU  25  21.972  23.533  38.866
  182    HA   GLU  25           HA       GLU  25  20.286  22.800  41.225
  183    HB2  GLU  25           HB2      GLU  25  22.681  24.632  40.972
  184    HB3  GLU  25           HB3      GLU  25  21.872  24.312  42.544
  185    HG2  GLU  25           HG2      GLU  25  23.069  21.949  40.952
  186    HG3  GLU  25           HG3      GLU  25  23.863  22.834  42.248
  187    H    GLU  26           H        GLU  26  20.701  25.586  39.123
  188    HA   GLU  26           HA       GLU  26  18.806  27.474  40.389
  189    HB2  GLU  26           HB2      GLU  26  19.874  27.469  37.612
  190    HB3  GLU  26           HB3      GLU  26  18.765  28.644  38.431
  191    HG2  GLU  26           HG2      GLU  26  21.468  27.994  39.495
  192    HG3  GLU  26           HG3      GLU  26  21.171  29.358  38.419
  193    H    ALA  27           H        ALA  27  18.475  24.757  38.212
  194    HA   ALA  27           HA       ALA  27  15.633  25.288  37.633
  195    HB1  ALA  27           HB1      ALA  27  16.818  22.579  37.825
  196    HB2  ALA  27           HB2      ALA  27  15.407  22.971  36.820
  197    HB3  ALA  27           HB3      ALA  27  17.063  23.585  36.457
  198    H    GLU  28           H        GLU  28  17.427  23.951  40.323
  199    HA   GLU  28           HA       GLU  28  14.985  23.287  41.932
  200    HB2  GLU  28           HB2      GLU  28  17.976  22.942  42.496
  201    HB3  GLU  28           HB3      GLU  28  16.761  22.391  43.545
  202    HG2  GLU  28           HG2      GLU  28  16.938  21.446  40.680
  203    HG3  GLU  28           HG3      GLU  28  17.787  20.610  42.057
  204    H    ASN  29           H        ASN  29  17.196  25.955  41.785
  205    HA   ASN  29           HA       ASN  29  16.958  26.869  44.453
  206    HB2  ASN  29           HB2      ASN  29  18.574  27.689  42.711
  207    HB3  ASN  29           HB3      ASN  29  17.148  28.471  41.988
  208   HD21  ASN  29          HD22      ASN  29  19.500  29.760  42.727
  209   HD22  ASN  29          HD21      ASN  29  19.271  30.691  44.173
  Start of MODEL    4
    1    H1   ACE   1          HH32      ACE   1  35.786   8.176  20.777
    2    H2   ACE   1          HH33      ACE   1  37.209   8.485  19.727
    3    H3   ACE   1          HH31      ACE   1  36.611   9.778  20.757
    4    H    SER   2           H        SER   2  34.425  10.713  20.497
    5    HA   SER   2           HA       SER   2  33.908  11.214  17.634
    6    HB2  SER   2           HB2      SER   2  32.110  11.010  19.980
    7    HB3  SER   2           HB3      SER   2  31.492  11.272  18.334
    8    HG   SER   2           HG       SER   2  31.226   9.225  18.641
    9    H    ASP   3           H        ASP   3  35.626  12.658  19.884
   10    HA   ASP   3           HA       ASP   3  34.085  15.055  20.404
   11    HB2  ASP   3           HB2      ASP   3  35.195  13.678  22.191
   12    HB3  ASP   3           HB3      ASP   3  36.693  14.012  21.392
   13    H    ALA   4           H        ALA   4  36.644  14.053  18.186
   14    HA   ALA   4           HA       ALA   4  37.638  16.747  17.788
   15    HB1  ALA   4           HB1      ALA   4  38.639  15.837  15.667
   16    HB2  ALA   4           HB2      ALA   4  39.158  15.015  17.119
   17    HB3  ALA   4           HB3      ALA   4  37.990  14.360  15.990
   18    H    ALA   5           H        ALA   5  34.942  14.906  16.627
   19    HA   ALA   5           HA       ALA   5  33.924  16.775  14.622
   20    HB1  ALA   5           HB1      ALA   5  32.460  14.493  16.121
   21    HB2  ALA   5           HB2      ALA   5  31.763  15.480  14.764
   22    HB3  ALA   5           HB3      ALA   5  33.087  14.535  14.448
   23    H    VAL   6           H        VAL   6  33.974  16.742  18.037
   24    HA   VAL   6           HA       VAL   6  32.014  18.966  18.007
   25    HB   VAL   6           HB       VAL   6  32.929  17.547  20.430
   26   HG11  VAL   6          HG11      VAL   6  31.024  18.558  21.721
   27   HG12  VAL   6          HG12      VAL   6  31.787  19.961  20.998
   28   HG13  VAL   6          HG13      VAL   6  30.299  19.219  20.314
   29   HG21  VAL   6          HG21      VAL   6  30.433  16.614  20.311
   30   HG22  VAL   6          HG22      VAL   6  30.401  17.172  18.647
   31   HG23  VAL   6          HG23      VAL   6  31.604  16.011  19.173
   32    H    ASP   7           H        ASP   7  34.897  18.871  17.405
   33    HA   ASP   7           HA       ASP   7  36.698  19.839  17.349
   34    HB2  ASP   7           HB2      ASP   7  35.402  21.883  16.782
   35    HB3  ASP   7           HB3      ASP   7  35.675  22.433  18.309
   36    H    THR   8           H        THR   8  36.542  18.350  19.615
   37    HA   THR   8           HA       THR   8  37.752  17.686  21.322
   38    HB   THR   8           HB       THR   8  39.734  20.032  21.238
   39    HG1  THR   8           HG1      THR   8  38.999  18.829  19.179
   40   HG21  THR   8          HG21      THR   8  40.883  17.339  21.394
   41   HG22  THR   8          HG22      THR   8  40.952  18.799  22.513
   42   HG23  THR   8          HG23      THR   8  39.696  17.633  22.638
   43    H    SER   9           H        SER   9  35.626  18.776  21.938
   44    HA   SER   9           HA       SER   9  35.533  20.935  23.716
   45    HB2  SER   9           HB2      SER   9  33.363  20.209  24.541
   46    HB3  SER   9           HB3      SER   9  33.356  20.222  22.782
   47    HG   SER   9           HG       SER   9  33.892  17.801  23.001
   48    H    SER  10           H        SER  10  36.444  17.566  24.213
   49    HA   SER  10           HA       SER  10  36.680  17.578  27.103
   50    HB2  SER  10           HB2      SER  10  38.559  16.124  25.259
   51    HB3  SER  10           HB3      SER  10  38.384  15.909  27.048
   52    HG   SER  10           HG       SER  10  36.869  14.956  24.888
   53    H    GLU  11           H        GLU  11  38.819  19.541  25.139
   54    HA   GLU  11           HA       GLU  11  40.378  19.987  27.508
   55    HB2  GLU  11           HB2      GLU  11  39.948  21.977  25.281
   56    HB3  GLU  11           HB3      GLU  11  41.182  22.031  26.572
   57    HG2  GLU  11           HG2      GLU  11  42.148  19.964  25.700
   58    HG3  GLU  11           HG3      GLU  11  40.963  19.951  24.398
   59    H    ILE  12           H        ILE  12  37.514  21.629  26.279
   60    HA   ILE  12           HA       ILE  12  37.456  23.765  28.345
   61    HB   ILE  12           HB       ILE  12  35.606  24.841  27.141
   62   HG12  ILE  12          HG12      ILE  12  35.657  22.788  24.796
   63   HG13  ILE  12          HG13      ILE  12  34.632  22.484  26.195
   64   HG21  ILE  12          HG21      ILE  12  37.898  25.323  26.521
   65   HG22  ILE  12          HG22      ILE  12  37.831  23.933  25.373
   66   HG23  ILE  12          HG23      ILE  12  37.000  25.514  25.119
   67   HD11  ILE  12          HD11      ILE  12  34.577  24.989  24.668
   68   HD12  ILE  12          HD12      ILE  12  33.491  23.615  24.385
   69   HD13  ILE  12          HD13      ILE  12  33.493  24.485  26.015
   70    H    THR  13           H        THR  13  35.865  20.623  28.059
   71    HA   THR  13           HA       THR  13  33.375  21.122  29.151
   72    HB   THR  13           HB       THR  13  34.410  19.048  28.266
   73    HG1  THR  13           HG1      THR  13  33.511  17.590  29.536
   74   HG21  THR  13          HG21      THR  13  35.952  17.704  29.572
   75   HG22  THR  13          HG22      THR  13  36.596  19.421  29.641
   76   HG23  THR  13          HG23      THR  13  35.638  18.882  30.940
   77    H    THR  14           H        THR  14  36.265  21.181  31.098
   78    HA   THR  14           HA       THR  14  34.717  21.198  33.553
   79    HB   THR  14           HB       THR  14  37.373  22.754  33.146
   80    HG1  THR  14           HG1      THR  14  37.606  20.652  32.679
   81   HG21  THR  14          HG21      THR  14  36.280  21.454  35.678
   82   HG22  THR  14          HG22      THR  14  37.396  22.819  35.567
   83   HG23  THR  14          HG23      THR  14  35.779  23.125  35.215
   84    H    LYS  15           H        LYS  15  35.164  23.799  31.186
   85    HA   LYS  15           HA       LYS  15  34.124  25.908  32.945
   86    HB2  LYS  15           HB2      LYS  15  34.270  25.904  29.868
   87    HB3  LYS  15           HB3      LYS  15  34.184  27.286  31.033
   88    HG2  LYS  15           HG2      LYS  15  36.485  26.890  31.635
   89    HG3  LYS  15           HG3      LYS  15  36.587  25.417  30.654
   90    HD2  LYS  15           HD2      LYS  15  36.095  26.670  28.600
   91    HD3  LYS  15           HD3      LYS  15  36.019  28.150  29.619
   92    HE2  LYS  15           HE2      LYS  15  38.269  27.885  30.432
   93    HE3  LYS  15           HE3      LYS  15  38.586  26.572  29.342
   94    HZ1  LYS  15           HZ1      LYS  15  38.055  28.248  27.496
   95    HZ2  LYS  15           HZ2      LYS  15  37.815  29.285  28.594
   96    HZ3  LYS  15           HZ3      LYS  15  39.332  28.737  28.446
   97    H    ASP  16           H        ASP  16  32.971  23.969  30.408
   98    HA   ASP  16           HA       ASP  16  30.142  24.551  30.485
   99    HB2  ASP  16           HB2      ASP  16  31.583  23.392  28.570
  100    HB3  ASP  16           HB3      ASP  16  31.474  21.910  29.575
  101    H    LEU  17           H        LEU  17  31.990  22.194  32.576
  102    HA   LEU  17           HA       LEU  17  29.359  21.207  33.304
  103    HB2  LEU  17           HB2      LEU  17  31.972  20.505  34.372
  104    HB3  LEU  17           HB3      LEU  17  30.565  19.772  34.794
  105    HG   LEU  17           HG       LEU  17  31.444  19.857  31.975
  106   HD11  LEU  17          HD11      LEU  17  31.862  17.353  33.950
  107   HD12  LEU  17          HD12      LEU  17  32.632  17.617  32.463
  108   HD13  LEU  17          HD13      LEU  17  33.102  18.573  33.736
  109   HD21  LEU  17          HD21      LEU  17  29.270  19.360  31.943
  110   HD22  LEU  17          HD22      LEU  17  30.023  17.762  31.639
  111   HD23  LEU  17          HD23      LEU  17  29.279  18.280  33.233
  112    H    LYS  18           H        LYS  18  31.545  23.766  34.643
  113    HA   LYS  18           HA       LYS  18  29.920  23.986  37.053
  114    HB2  LYS  18           HB2      LYS  18  31.744  25.778  35.531
  115    HB3  LYS  18           HB3      LYS  18  30.876  26.306  36.972
  116    HG2  LYS  18           HG2      LYS  18  33.188  25.669  37.557
  117    HG3  LYS  18           HG3      LYS  18  31.873  25.074  38.555
  118    HD2  LYS  18           HD2      LYS  18  32.266  22.809  37.553
  119    HD3  LYS  18           HD3      LYS  18  33.303  23.472  36.306
  120    HE2  LYS  18           HE2      LYS  18  34.499  22.219  37.761
  121    HE3  LYS  18           HE3      LYS  18  35.011  23.997  37.880
  122    HZ1  LYS  18           HZ1      LYS  18  33.809  24.314  39.806
  123    HZ2  LYS  18           HZ2      LYS  18  33.494  22.724  40.111
  124    HZ3  LYS  18           HZ3      LYS  18  34.997  23.249  40.110
  125    H    GLU  19           H        GLU  19  29.589  25.191  33.708
  126    HA   GLU  19           HA       GLU  19  27.245  26.755  34.294
  127    HB2  GLU  19           HB2      GLU  19  28.713  26.666  32.038
  128    HB3  GLU  19           HB3      GLU  19  27.776  25.097  31.782
  129    HG2  GLU  19           HG2      GLU  19  25.781  26.672  32.050
  130    HG3  GLU  19           HG3      GLU  19  26.913  27.928  31.855
  131    H    LYS  20           H        LYS  20  27.667  23.286  33.365
  132    HA   LYS  20           HA       LYS  20  24.719  22.759  33.550
  133    HB2  LYS  20           HB2      LYS  20  26.960  20.792  33.804
  134    HB3  LYS  20           HB3      LYS  20  25.315  20.397  33.609
  135    HG2  LYS  20           HG2      LYS  20  27.080  21.696  31.517
  136    HG3  LYS  20           HG3      LYS  20  26.119  20.220  31.371
  137    HD2  LYS  20           HD2      LYS  20  23.992  21.667  31.290
  138    HD3  LYS  20           HD3      LYS  20  25.083  23.073  31.318
  139    HE2  LYS  20           HE2      LYS  20  25.463  20.915  29.181
  140    HE3  LYS  20           HE3      LYS  20  24.349  22.234  29.003
  141    HZ1  LYS  20           HZ1      LYS  20  26.270  23.654  29.589
  142    HZ2  LYS  20           HZ2      LYS  20  27.231  22.346  29.162
  143    HZ3  LYS  20           HZ3      LYS  20  26.119  23.092  28.127
  144    H    LYS  21           H        LYS  21  26.966  23.260  35.999
  145    HA   LYS  21           HA       LYS  21  25.347  21.675  37.940
  146    HB2  LYS  21           HB2      LYS  21  28.161  22.989  38.239
  147    HB3  LYS  21           HB3      LYS  21  27.225  22.389  39.584
  148    HG2  LYS  21           HG2      LYS  21  27.455  20.060  38.721
  149    HG3  LYS  21           HG3      LYS  21  27.872  20.671  37.138
  150    HD2  LYS  21           HD2      LYS  21  29.911  21.778  38.031
  151    HD3  LYS  21           HD3      LYS  21  29.753  21.217  39.593
  152    HE2  LYS  21           HE2      LYS  21  29.759  19.498  37.134
  153    HE3  LYS  21           HE3      LYS  21  31.272  19.971  37.974
  154    HZ1  LYS  21           HZ1      LYS  21  30.783  17.874  38.819
  155    HZ2  LYS  21           HZ2      LYS  21  30.107  18.855  39.983
  156    HZ3  LYS  21           HZ3      LYS  21  29.218  18.118  38.904
  157    H    GLU  22           H        GLU  22  25.615  24.885  36.776
  158    HA   GLU  22           HA       GLU  22  24.660  26.183  39.404
  159    HB2  GLU  22           HB2      GLU  22  26.757  26.972  38.412
  160    HB3  GLU  22           HB3      GLU  22  25.968  27.073  36.863
  161    HG2  GLU  22           HG2      GLU  22  26.016  29.354  37.883
  162    HG3  GLU  22           HG3      GLU  22  24.389  28.821  38.066
  163    H    VAL  23           H        VAL  23  24.297  26.056  35.953
  164    HA   VAL  23           HA       VAL  23  21.482  26.976  35.783
  165    HB   VAL  23           HB       VAL  23  23.464  26.112  34.014
  166   HG11  VAL  23          HG11      VAL  23  23.456  23.990  34.410
  167   HG12  VAL  23          HG12      VAL  23  21.675  23.778  33.970
  168   HG13  VAL  23          HG13      VAL  23  22.933  24.218  32.763
  169   HG21  VAL  23          HG21      VAL  23  20.597  26.074  33.461
  170   HG22  VAL  23          HG22      VAL  23  21.481  27.539  33.334
  171   HG23  VAL  23          HG23      VAL  23  21.740  26.178  32.071
  172    H    VAL  24           H        VAL  24  22.754  23.862  36.686
  173    HA   VAL  24           HA       VAL  24  19.927  22.953  36.710
  174    HB   VAL  24           HB       VAL  24  21.877  21.547  35.820
  175   HG11  VAL  24          HG11      VAL  24  22.589  19.945  37.313
  176   HG12  VAL  24          HG12      VAL  24  23.227  21.444  37.933
  177   HG13  VAL  24          HG13      VAL  24  21.982  20.695  38.823
  178   HG21  VAL  24          HG21      VAL  24  19.607  20.280  37.384
  179   HG22  VAL  24          HG22      VAL  24  19.652  20.834  35.702
  180   HG23  VAL  24          HG23      VAL  24  20.790  19.558  36.191
  181    H    GLU  25           H        GLU  25  22.020  23.884  39.137
  182    HA   GLU  25           HA       GLU  25  20.289  23.147  41.248
  183    HB2  GLU  25           HB2      GLU  25  22.559  23.483  41.946
  184    HB3  GLU  25           HB3      GLU  25  22.771  25.015  41.212
  185    HG2  GLU  25           HG2      GLU  25  21.176  26.046  42.668
  186    HG3  GLU  25           HG3      GLU  25  20.831  24.393  43.363
  187    H    GLU  26           H        GLU  26  20.772  26.005  39.258
  188    HA   GLU  26           HA       GLU  26  18.751  27.741  40.540
  189    HB2  GLU  26           HB2      GLU  26  20.664  28.221  38.756
  190    HB3  GLU  26           HB3      GLU  26  19.375  28.057  37.645
  191    HG2  GLU  26           HG2      GLU  26  18.132  29.890  38.697
  192    HG3  GLU  26           HG3      GLU  26  19.481  29.990  39.870
  193    H    ALA  27           H        ALA  27  18.380  25.089  38.349
  194    HA   ALA  27           HA       ALA  27  15.497  25.725  38.048
  195    HB1  ALA  27           HB1      ALA  27  17.061  23.305  37.074
  196    HB2  ALA  27           HB2      ALA  27  15.390  23.848  36.438
  197    HB3  ALA  27           HB3      ALA  27  16.840  24.624  35.994
  198    H    GLU  28           H        GLU  28  17.461  23.888  40.180
  199    HA   GLU  28           HA       GLU  28  15.485  21.959  40.910
  200    HB2  GLU  28           HB2      GLU  28  18.177  22.827  41.979
  201    HB3  GLU  28           HB3      GLU  28  17.198  21.580  42.824
  202    HG2  GLU  28           HG2      GLU  28  17.818  21.026  39.883
  203    HG3  GLU  28           HG3      GLU  28  18.817  20.470  41.305
  204    H    ASN  29           H        ASN  29  16.768  24.814  42.307
  205    HA   ASN  29           HA       ASN  29  15.596  25.118  44.756
  206    HB2  ASN  29           HB2      ASN  29  17.618  26.313  43.781
  207    HB3  ASN  29           HB3      ASN  29  16.567  27.302  42.742
  208   HD21  ASN  29          HD22      ASN  29  17.253  26.838  46.177
  209   HD22  ASN  29          HD21      ASN  29  17.182  28.521  46.516
  Start of MODEL    5
    1    H1   ACE   1          HH32      ACE   1  39.753  17.864  13.253
    2    H2   ACE   1          HH33      ACE   1  39.769  17.290  14.869
    3    H3   ACE   1          HH31      ACE   1  39.143  16.202  13.697
    4    H    SER   2           H        SER   2  37.357  16.067  14.992
    5    HA   SER   2           HA       SER   2  35.133  17.527  13.826
    6    HB2  SER   2           HB2      SER   2  35.196  15.261  15.748
    7    HB3  SER   2           HB3      SER   2  33.732  16.151  15.094
    8    HG   SER   2           HG       SER   2  34.617  14.119  14.152
    9    H    ASP   3           H        ASP   3  36.975  17.864  16.729
   10    HA   ASP   3           HA       ASP   3  35.173  19.393  18.088
   11    HB2  ASP   3           HB2      ASP   3  37.227  18.050  18.939
   12    HB3  ASP   3           HB3      ASP   3  38.234  19.376  18.469
   13    H    ALA   4           H        ALA   4  37.007  20.308  15.237
   14    HA   ALA   4           HA       ALA   4  37.469  23.094  15.879
   15    HB1  ALA   4           HB1      ALA   4  38.884  21.901  14.384
   16    HB2  ALA   4           HB2      ALA   4  37.384  21.605  13.421
   17    HB3  ALA   4           HB3      ALA   4  38.042  23.256  13.542
   18    H    ALA   5           H        ALA   5  34.757  21.405  14.269
   19    HA   ALA   5           HA       ALA   5  33.305  23.914  13.794
   20    HB1  ALA   5           HB1      ALA   5  32.326  21.102  13.877
   21    HB2  ALA   5           HB2      ALA   5  31.481  22.435  13.138
   22    HB3  ALA   5           HB3      ALA   5  32.931  21.894  12.358
   23    H    VAL   6           H        VAL   6  34.209  22.630  16.540
   24    HA   VAL   6           HA       VAL   6  32.100  23.956  18.164
   25    HB   VAL   6           HB       VAL   6  33.742  21.934  19.401
   26   HG11  VAL   6          HG11      VAL   6  31.809  22.006  21.080
   27   HG12  VAL   6          HG12      VAL   6  31.865  23.668  20.583
   28   HG13  VAL   6          HG13      VAL   6  30.769  22.580  19.798
   29   HG21  VAL   6          HG21      VAL   6  31.246  21.311  18.065
   30   HG22  VAL   6          HG22      VAL   6  32.900  20.606  17.519
   31   HG23  VAL   6          HG23      VAL   6  32.126  20.052  18.936
   32    H    ASP   7           H        ASP   7  34.999  24.525  17.106
   33    HA   ASP   7           HA       ASP   7  36.908  25.348  17.743
   34    HB2  ASP   7           HB2      ASP   7  35.125  27.350  17.979
   35    HB3  ASP   7           HB3      ASP   7  35.292  27.247  19.657
   36    H    THR   8           H        THR   8  37.201  23.201  18.809
   37    HA   THR   8           HA       THR   8  38.329  21.983  20.414
   38    HB   THR   8           HB       THR   8  39.683  24.642  20.956
   39    HG1  THR   8           HG1      THR   8  39.685  24.014  18.755
   40   HG21  THR   8          HG21      THR   8  40.760  23.267  22.470
   41   HG22  THR   8          HG22      THR   8  40.233  21.747  21.680
   42   HG23  THR   8          HG23      THR   8  41.652  22.742  21.074
   43    H    SER   9           H        SER   9  35.948  22.251  21.124
   44    HA   SER   9           HA       SER   9  35.498  23.299  23.683
   45    HB2  SER   9           HB2      SER   9  33.367  21.940  23.700
   46    HB3  SER   9           HB3      SER   9  33.780  22.723  22.198
   47    HG   SER   9           HG       SER   9  34.699  20.591  21.491
   48    H    SER  10           H        SER  10  36.952  20.313  22.836
   49    HA   SER  10           HA       SER  10  36.874  18.866  25.270
   50    HB2  SER  10           HB2      SER  10  39.360  19.273  23.470
   51    HB3  SER  10           HB3      SER  10  39.154  18.096  24.791
   52    HG   SER  10           HG       SER  10  37.859  18.492  22.360
   53    H    GLU  11           H        GLU  11  38.459  21.941  24.589
   54    HA   GLU  11           HA       GLU  11  39.983  21.909  27.272
   55    HB2  GLU  11           HB2      GLU  11  40.237  23.778  24.759
   56    HB3  GLU  11           HB3      GLU  11  40.983  23.966  26.309
   57    HG2  GLU  11           HG2      GLU  11  42.264  22.033  26.200
   58    HG3  GLU  11           HG3      GLU  11  41.546  21.804  24.489
   59    H    ILE  12           H        ILE  12  37.071  23.106  26.185
   60    HA   ILE  12           HA       ILE  12  36.999  24.915  28.515
   61    HB   ILE  12           HB       ILE  12  34.991  25.868  27.746
   62   HG12  ILE  12          HG12      ILE  12  34.971  24.732  24.980
   63   HG13  ILE  12          HG13      ILE  12  34.158  23.770  26.313
   64   HG21  ILE  12          HG21      ILE  12  37.107  25.867  25.509
   65   HG22  ILE  12          HG22      ILE  12  35.847  27.106  25.726
   66   HG23  ILE  12          HG23      ILE  12  37.135  26.848  26.937
   67   HD11  ILE  12          HD11      ILE  12  32.395  25.050  25.449
   68   HD12  ILE  12          HD12      ILE  12  32.845  25.816  26.872
   69   HD13  ILE  12          HD13      ILE  12  33.339  26.504  25.300
   70    H    THR  13           H        THR  13  35.914  21.985  27.613
   71    HA   THR  13           HA       THR  13  33.569  21.550  28.725
   72    HB   THR  13           HB       THR  13  34.452  20.188  27.461
   73    HG1  THR  13           HG1      THR  13  32.938  19.303  28.985
   74   HG21  THR  13          HG21      THR  13  36.383  19.141  29.709
   75   HG22  THR  13          HG22      THR  13  36.480  18.658  27.941
   76   HG23  THR  13          HG23      THR  13  36.915  20.233  28.551
   77    H    THR  14           H        THR  14  36.290  22.052  30.949
   78    HA   THR  14           HA       THR  14  34.581  20.958  33.209
   79    HB   THR  14           HB       THR  14  37.256  22.356  33.381
   80    HG1  THR  14           HG1      THR  14  36.388  19.902  32.734
   81   HG21  THR  14          HG21      THR  14  35.885  20.618  35.527
   82   HG22  THR  14          HG22      THR  14  37.502  21.133  35.480
   83   HG23  THR  14          HG23      THR  14  36.172  22.392  35.564
   84    H    LYS  15           H        LYS  15  35.412  23.924  31.729
   85    HA   LYS  15           HA       LYS  15  34.149  25.786  33.507
   86    HB2  LYS  15           HB2      LYS  15  34.628  26.449  30.710
   87    HB3  LYS  15           HB3      LYS  15  34.721  27.495  32.091
   88    HG2  LYS  15           HG2      LYS  15  36.739  26.813  32.751
   89    HG3  LYS  15           HG3      LYS  15  36.788  25.322  31.577
   90    HD2  LYS  15           HD2      LYS  15  36.411  27.209  29.733
   91    HD3  LYS  15           HD3      LYS  15  36.980  28.284  31.046
   92    HE2  LYS  15           HE2      LYS  15  39.062  26.778  31.288
   93    HE3  LYS  15           HE3      LYS  15  38.567  26.049  29.724
   94    HZ1  LYS  15           HZ1      LYS  15  39.301  28.890  30.156
   95    HZ2  LYS  15           HZ2      LYS  15  40.030  27.811  29.215
   96    HZ3  LYS  15           HZ3      LYS  15  38.510  28.483  28.908
   97    H    ASP  16           H        ASP  16  33.185  24.382  30.443
   98    HA   ASP  16           HA       ASP  16  30.439  25.127  30.502
   99    HB2  ASP  16           HB2      ASP  16  31.622  24.008  28.666
  100    HB3  ASP  16           HB3      ASP  16  31.637  22.512  29.692
  101    H    LEU  17           H        LEU  17  32.133  22.510  32.574
  102    HA   LEU  17           HA       LEU  17  29.478  21.445  33.005
  103    HB2  LEU  17           HB2      LEU  17  32.246  20.508  33.588
  104    HB3  LEU  17           HB3      LEU  17  30.777  19.781  34.482
  105    HG   LEU  17           HG       LEU  17  31.023  20.058  31.460
  106   HD11  LEU  17          HD11      LEU  17  32.912  18.686  32.012
  107   HD12  LEU  17          HD12      LEU  17  32.043  17.780  33.233
  108   HD13  LEU  17          HD13      LEU  17  31.680  17.515  31.541
  109   HD21  LEU  17          HD21      LEU  17  29.490  17.860  32.902
  110   HD22  LEU  17          HD22      LEU  17  28.951  19.472  33.139
  111   HD23  LEU  17          HD23      LEU  17  29.060  18.947  31.454
  112    H    LYS  18           H        LYS  18  31.356  23.762  34.485
  113    HA   LYS  18           HA       LYS  18  29.925  23.792  37.123
  114    HB2  LYS  18           HB2      LYS  18  32.036  25.462  35.733
  115    HB3  LYS  18           HB3      LYS  18  30.987  26.288  36.748
  116    HG2  LYS  18           HG2      LYS  18  32.722  25.798  37.862
  117    HG3  LYS  18           HG3      LYS  18  31.469  24.630  38.559
  118    HD2  LYS  18           HD2      LYS  18  32.449  22.791  36.930
  119    HD3  LYS  18           HD3      LYS  18  33.693  23.913  36.652
  120    HE2  LYS  18           HE2      LYS  18  32.695  22.754  39.371
  121    HE3  LYS  18           HE3      LYS  18  33.990  22.012  38.384
  122    HZ1  LYS  18           HZ1      LYS  18  35.341  23.945  38.683
  123    HZ2  LYS  18           HZ2      LYS  18  34.215  24.675  39.631
  124    HZ3  LYS  18           HZ3      LYS  18  35.040  23.385  40.158
  125    H    GLU  19           H        GLU  19  29.487  25.173  33.925
  126    HA   GLU  19           HA       GLU  19  27.283  26.616  34.663
  127    HB2  GLU  19           HB2      GLU  19  28.879  26.403  32.423
  128    HB3  GLU  19           HB3      GLU  19  27.628  25.223  32.048
  129    HG2  GLU  19           HG2      GLU  19  25.849  27.093  32.356
  130    HG3  GLU  19           HG3      GLU  19  27.232  28.143  32.898
  131    H    LYS  20           H        LYS  20  27.635  23.326  33.412
  132    HA   LYS  20           HA       LYS  20  24.902  22.543  33.183
  133    HB2  LYS  20           HB2      LYS  20  27.371  20.849  33.617
  134    HB3  LYS  20           HB3      LYS  20  25.756  20.291  33.221
  135    HG2  LYS  20           HG2      LYS  20  27.547  21.967  31.285
  136    HG3  LYS  20           HG3      LYS  20  27.070  20.338  31.281
  137    HD2  LYS  20           HD2      LYS  20  24.656  21.180  31.067
  138    HD3  LYS  20           HD3      LYS  20  25.232  22.793  30.722
  139    HE2  LYS  20           HE2      LYS  20  25.825  20.129  29.294
  140    HE3  LYS  20           HE3      LYS  20  24.614  21.232  28.818
  141    HZ1  LYS  20           HZ1      LYS  20  26.520  21.467  27.452
  142    HZ2  LYS  20           HZ2      LYS  20  26.357  22.833  28.275
  143    HZ3  LYS  20           HZ3      LYS  20  27.506  21.903  28.770
  144    H    LYS  21           H        LYS  21  26.812  23.039  35.878
  145    HA   LYS  21           HA       LYS  21  25.233  21.459  37.892
  146    HB2  LYS  21           HB2      LYS  21  27.804  22.956  38.169
  147    HB3  LYS  21           HB3      LYS  21  26.947  22.262  39.515
  148    HG2  LYS  21           HG2      LYS  21  27.069  19.981  38.724
  149    HG3  LYS  21           HG3      LYS  21  27.831  20.472  37.192
  150    HD2  LYS  21           HD2      LYS  21  29.771  21.109  38.300
  151    HD3  LYS  21           HD3      LYS  21  29.234  20.859  39.966
  152    HE2  LYS  21           HE2      LYS  21  28.592  18.463  39.199
  153    HE3  LYS  21           HE3      LYS  21  29.746  18.673  37.980
  154    HZ1  LYS  21           HZ1      LYS  21  30.221  18.869  41.029
  155    HZ2  LYS  21           HZ2      LYS  21  30.742  17.838  40.000
  156    HZ3  LYS  21           HZ3      LYS  21  31.419  19.274  39.945
  157    H    GLU  22           H        GLU  22  25.514  24.577  36.628
  158    HA   GLU  22           HA       GLU  22  24.491  26.143  39.071
  159    HB2  GLU  22           HB2      GLU  22  26.383  27.062  37.752
  160    HB3  GLU  22           HB3      GLU  22  25.199  27.121  36.305
  161    HG2  GLU  22           HG2      GLU  22  23.975  28.857  37.520
  162    HG3  GLU  22           HG3      GLU  22  24.906  28.629  38.984
  163    H    VAL  23           H        VAL  23  23.901  25.605  35.593
  164    HA   VAL  23           HA       VAL  23  21.277  26.477  35.309
  165    HB   VAL  23           HB       VAL  23  22.976  25.673  33.638
  166   HG11  VAL  23          HG11      VAL  23  23.036  23.665  32.712
  167   HG12  VAL  23          HG12      VAL  23  23.519  23.390  34.297
  168   HG13  VAL  23          HG13      VAL  23  21.867  22.944  33.990
  169   HG21  VAL  23          HG21      VAL  23  20.798  26.500  32.983
  170   HG22  VAL  23          HG22      VAL  23  21.203  25.083  32.036
  171   HG23  VAL  23          HG23      VAL  23  20.000  24.883  33.290
  172    H    VAL  24           H        VAL  24  22.669  23.712  36.481
  173    HA   VAL  24           HA       VAL  24  19.979  22.413  36.789
  174    HB   VAL  24           HB       VAL  24  22.194  21.332  36.019
  175   HG11  VAL  24          HG11      VAL  24  23.276  19.888  37.717
  176   HG12  VAL  24          HG12      VAL  24  23.107  21.492  38.637
  177   HG13  VAL  24          HG13      VAL  24  21.944  20.292  38.860
  178   HG21  VAL  24          HG21      VAL  24  21.088  19.100  36.329
  179   HG22  VAL  24          HG22      VAL  24  19.991  19.922  37.465
  180   HG23  VAL  24          HG23      VAL  24  20.041  20.443  35.752
  181    H    GLU  25           H        GLU  25  22.064  23.870  38.997
  182    HA   GLU  25           HA       GLU  25  20.555  22.945  41.379
  183    HB2  GLU  25           HB2      GLU  25  22.616  25.046  40.698
  184    HB3  GLU  25           HB3      GLU  25  21.860  25.113  42.290
  185    HG2  GLU  25           HG2      GLU  25  23.207  22.674  41.263
  186    HG3  GLU  25           HG3      GLU  25  23.995  23.856  42.385
  187    H    GLU  26           H        GLU  26  20.721  25.771  39.304
  188    HA   GLU  26           HA       GLU  26  18.747  27.322  40.584
  189    HB2  GLU  26           HB2      GLU  26  19.783  27.493  37.720
  190    HB3  GLU  26           HB3      GLU  26  18.531  28.581  38.422
  191    HG2  GLU  26           HG2      GLU  26  21.295  28.136  39.576
  192    HG3  GLU  26           HG3      GLU  26  20.864  29.426  38.516
  193    H    ALA  27           H        ALA  27  18.386  24.593  38.480
  194    HA   ALA  27           HA       ALA  27  15.562  25.146  37.876
  195    HB1  ALA  27           HB1      ALA  27  17.150  22.635  37.661
  196    HB2  ALA  27           HB2      ALA  27  15.443  22.806  37.363
  197    HB3  ALA  27           HB3      ALA  27  16.751  23.832  36.456
  198    H    GLU  28           H        GLU  28  17.244  23.697  40.445
  199    HA   GLU  28           HA       GLU  28  14.824  22.843  41.793
  200    HB2  GLU  28           HB2      GLU  28  17.663  22.737  43.046
  201    HB3  GLU  28           HB3      GLU  28  16.155  22.109  43.729
  202    HG2  GLU  28           HG2      GLU  28  17.008  21.127  41.020
  203    HG3  GLU  28           HG3      GLU  28  17.727  20.486  42.415
  204    H    ASN  29           H        ASN  29  16.586  25.849  41.660
  205    HA   ASN  29           HA       ASN  29  16.265  26.427  44.299
  206    HB2  ASN  29           HB2      ASN  29  18.041  27.319  42.951
  207    HB3  ASN  29           HB3      ASN  29  16.958  28.204  41.869
  208   HD21  ASN  29          HD22      ASN  29  18.161  30.069  42.308
  209   HD22  ASN  29          HD21      ASN  29  17.959  30.953  43.802
  Start of MODEL    6
    1    H1   ACE   1          HH32      ACE   1  37.811  10.807  16.602
    2    H2   ACE   1          HH33      ACE   1  38.724  11.769  17.787
    3    H3   ACE   1          HH31      ACE   1  37.479  10.795  18.364
    4    H    SER   2           H        SER   2  35.226  11.694  17.989
    5    HA   SER   2           HA       SER   2  34.525  13.633  16.024
    6    HB2  SER   2           HB2      SER   2  33.018  12.632  18.449
    7    HB3  SER   2           HB3      SER   2  32.293  13.315  16.880
    8    HG   SER   2           HG       SER   2  32.078  11.294  16.748
    9    H    ASP   3           H        ASP   3  35.724  14.010  19.408
   10    HA   ASP   3           HA       ASP   3  34.668  16.631  19.854
   11    HB2  ASP   3           HB2      ASP   3  35.591  14.853  21.471
   12    HB3  ASP   3           HB3      ASP   3  37.127  15.033  20.751
   13    H    ALA   4           H        ALA   4  37.169  15.504  17.733
   14    HA   ALA   4           HA       ALA   4  39.003  17.643  17.725
   15    HB1  ALA   4           HB1      ALA   4  39.681  16.996  15.486
   16    HB2  ALA   4           HB2      ALA   4  39.625  15.691  16.742
   17    HB3  ALA   4           HB3      ALA   4  38.380  15.725  15.544
   18    H    ALA   5           H        ALA   5  35.853  17.367  16.251
   19    HA   ALA   5           HA       ALA   5  35.901  19.587  14.387
   20    HB1  ALA   5           HB1      ALA   5  33.775  17.729  15.633
   21    HB2  ALA   5           HB2      ALA   5  33.437  18.829  14.319
   22    HB3  ALA   5           HB3      ALA   5  34.391  17.526  14.001
   23    H    VAL   6           H        VAL   6  35.081  18.949  17.768
   24    HA   VAL   6           HA       VAL   6  34.128  21.742  18.081
   25    HB   VAL   6           HB       VAL   6  34.628  19.920  20.276
   26   HG11  VAL   6          HG11      VAL   6  33.911  22.353  20.640
   27   HG12  VAL   6          HG12      VAL   6  32.354  21.957  19.838
   28   HG13  VAL   6          HG13      VAL   6  32.754  21.189  21.302
   29   HG21  VAL   6          HG21      VAL   6  32.013  19.775  18.706
   30   HG22  VAL   6          HG22      VAL   6  33.242  18.504  18.799
   31   HG23  VAL   6          HG23      VAL   6  32.364  18.932  20.245
   32    H    ASP   7           H        ASP   7  37.020  20.656  17.233
   33    HA   ASP   7           HA       ASP   7  39.158  20.940  17.666
   34    HB2  ASP   7           HB2      ASP   7  38.175  23.352  17.199
   35    HB3  ASP   7           HB3      ASP   7  38.412  23.594  18.946
   36    H    THR   8           H        THR   8  38.387  19.252  19.420
   37    HA   THR   8           HA       THR   8  38.739  18.235  21.221
   38    HB   THR   8           HB       THR   8  41.021  20.201  21.757
   39    HG1  THR   8           HG1      THR   8  41.154  19.531  19.677
   40   HG21  THR   8          HG21      THR   8  41.149  18.834  23.589
   41   HG22  THR   8          HG22      THR   8  40.670  17.315  22.664
   42   HG23  THR   8          HG23      THR   8  42.200  18.130  22.454
   43    H    SER   9           H        SER   9  36.682  19.355  21.994
   44    HA   SER   9           HA       SER   9  36.706  21.607  23.965
   45    HB2  SER   9           HB2      SER   9  34.388  20.910  24.409
   46    HB3  SER   9           HB3      SER   9  34.621  20.943  22.666
   47    HG   SER   9           HG       SER   9  34.851  18.646  23.010
   48    H    SER  10           H        SER  10  37.876  18.317  24.266
   49    HA   SER  10           HA       SER  10  37.145  17.638  26.905
   50    HB2  SER  10           HB2      SER  10  39.534  17.097  25.416
   51    HB3  SER  10           HB3      SER  10  39.014  16.224  26.948
   52    HG   SER  10           HG       SER  10  37.711  16.432  24.430
   53    H    GLU  11           H        GLU  11  39.785  19.992  25.817
   54    HA   GLU  11           HA       GLU  11  40.671  20.174  28.553
   55    HB2  GLU  11           HB2      GLU  11  41.174  21.850  26.047
   56    HB3  GLU  11           HB3      GLU  11  41.791  22.467  27.602
   57    HG2  GLU  11           HG2      GLU  11  43.233  20.450  27.781
   58    HG3  GLU  11           HG3      GLU  11  42.502  19.876  26.254
   59    H    ILE  12           H        ILE  12  38.123  21.654  26.994
   60    HA   ILE  12           HA       ILE  12  38.077  23.642  29.202
   61    HB   ILE  12           HB       ILE  12  36.612  25.233  27.835
   62   HG12  ILE  12          HG12      ILE  12  36.958  23.582  25.371
   63   HG13  ILE  12          HG13      ILE  12  35.570  23.364  26.579
   64   HG21  ILE  12          HG21      ILE  12  39.056  25.674  27.719
   65   HG22  ILE  12          HG22      ILE  12  39.202  24.390  26.565
   66   HG23  ILE  12          HG23      ILE  12  38.423  25.959  26.121
   67   HD11  ILE  12          HD11      ILE  12  36.381  25.950  25.187
   68   HD12  ILE  12          HD12      ILE  12  35.003  24.943  24.816
   69   HD13  ILE  12          HD13      ILE  12  35.041  25.768  26.404
   70    H    THR  13           H        THR  13  36.305  21.146  28.171
   71    HA   THR  13           HA       THR  13  33.776  21.894  28.755
   72    HB   THR  13           HB       THR  13  34.057  19.797  27.698
   73    HG1  THR  13           HG1      THR  13  32.370  19.421  29.058
   74   HG21  THR  13          HG21      THR  13  36.372  19.405  28.517
   75   HG22  THR  13          HG22      THR  13  35.608  18.666  30.042
   76   HG23  THR  13          HG23      THR  13  35.371  17.965  28.439
   77    H    THR  14           H        THR  14  36.215  21.542  31.353
   78    HA   THR  14           HA       THR  14  34.189  20.973  33.445
   79    HB   THR  14           HB       THR  14  36.977  22.246  33.680
   80    HG1  THR  14           HG1      THR  14  36.336  19.996  32.814
   81   HG21  THR  14          HG21      THR  14  35.381  22.442  35.765
   82   HG22  THR  14          HG22      THR  14  35.455  20.678  35.725
   83   HG23  THR  14          HG23      THR  14  36.984  21.608  35.860
   84    H    LYS  15           H        LYS  15  35.376  23.804  31.786
   85    HA   LYS  15           HA       LYS  15  34.063  25.953  33.306
   86    HB2  LYS  15           HB2      LYS  15  34.722  25.931  30.322
   87    HB3  LYS  15           HB3      LYS  15  34.201  27.190  31.407
   88    HG2  LYS  15           HG2      LYS  15  36.076  26.766  32.904
   89    HG3  LYS  15           HG3      LYS  15  36.786  25.479  31.929
   90    HD2  LYS  15           HD2      LYS  15  37.914  27.583  31.567
   91    HD3  LYS  15           HD3      LYS  15  37.216  26.975  30.078
   92    HE2  LYS  15           HE2      LYS  15  35.317  28.688  30.400
   93    HE3  LYS  15           HE3      LYS  15  36.160  29.300  31.742
   94    HZ1  LYS  15           HZ1      LYS  15  37.208  29.422  29.013
   95    HZ2  LYS  15           HZ2      LYS  15  36.734  30.628  30.051
   96    HZ3  LYS  15           HZ3      LYS  15  38.156  29.780  30.224
   97    H    ASP  16           H        ASP  16  32.927  24.140  30.397
   98    HA   ASP  16           HA       ASP  16  30.350  25.161  30.665
   99    HB2  ASP  16           HB2      ASP  16  31.102  24.405  28.543
  100    HB3  ASP  16           HB3      ASP  16  31.282  22.756  29.052
  101    H    LEU  17           H        LEU  17  31.837  22.738  32.554
  102    HA   LEU  17           HA       LEU  17  29.257  21.315  33.008
  103    HB2  LEU  17           HB2      LEU  17  31.995  20.825  33.822
  104    HB3  LEU  17           HB3      LEU  17  30.578  20.040  34.579
  105    HG   LEU  17           HG       LEU  17  31.282  20.011  31.578
  106   HD11  LEU  17          HD11      LEU  17  32.974  19.029  32.963
  107   HD12  LEU  17          HD12      LEU  17  31.782  17.891  33.620
  108   HD13  LEU  17          HD13      LEU  17  32.167  17.831  31.878
  109   HD21  LEU  17          HD21      LEU  17  28.896  19.471  31.983
  110   HD22  LEU  17          HD22      LEU  17  29.775  18.027  31.515
  111   HD23  LEU  17          HD23      LEU  17  29.322  18.279  33.230
  112    H    LYS  18           H        LYS  18  31.312  23.749  34.794
  113    HA   LYS  18           HA       LYS  18  29.702  23.691  37.251
  114    HB2  LYS  18           HB2      LYS  18  31.621  25.690  35.863
  115    HB3  LYS  18           HB3      LYS  18  30.636  26.188  37.191
  116    HG2  LYS  18           HG2      LYS  18  32.856  25.746  37.906
  117    HG3  LYS  18           HG3      LYS  18  31.625  24.707  38.689
  118    HD2  LYS  18           HD2      LYS  18  32.204  22.738  37.151
  119    HD3  LYS  18           HD3      LYS  18  33.453  23.638  36.460
  120    HE2  LYS  18           HE2      LYS  18  32.941  23.016  39.441
  121    HE3  LYS  18           HE3      LYS  18  33.945  22.038  38.491
  122    HZ1  LYS  18           HZ1      LYS  18  34.586  24.792  39.331
  123    HZ2  LYS  18           HZ2      LYS  18  35.429  23.460  39.594
  124    HZ3  LYS  18           HZ3      LYS  18  35.476  24.061  38.149
  125    H    GLU  19           H        GLU  19  29.668  25.262  33.823
  126    HA   GLU  19           HA       GLU  19  27.378  26.764  34.278
  127    HB2  GLU  19           HB2      GLU  19  28.805  25.815  32.023
  128    HB3  GLU  19           HB3      GLU  19  27.179  25.458  31.808
  129    HG2  GLU  19           HG2      GLU  19  26.470  27.563  32.253
  130    HG3  GLU  19           HG3      GLU  19  28.202  28.215  32.477
  131    H    LYS  20           H        LYS  20  27.652  23.463  33.492
  132    HA   LYS  20           HA       LYS  20  24.839  22.904  33.287
  133    HB2  LYS  20           HB2      LYS  20  27.202  20.967  33.602
  134    HB3  LYS  20           HB3      LYS  20  25.472  20.441  33.348
  135    HG2  LYS  20           HG2      LYS  20  26.997  22.182  31.376
  136    HG3  LYS  20           HG3      LYS  20  27.081  20.451  31.420
  137    HD2  LYS  20           HD2      LYS  20  24.731  20.140  31.050
  138    HD3  LYS  20           HD3      LYS  20  24.516  22.008  30.980
  139    HE2  LYS  20           HE2      LYS  20  25.770  20.161  28.934
  140    HE3  LYS  20           HE3      LYS  20  24.319  21.113  28.838
  141    HZ1  LYS  20           HZ1      LYS  20  27.094  22.277  29.136
  142    HZ2  LYS  20           HZ2      LYS  20  26.216  22.312  27.820
  143    HZ3  LYS  20           HZ3      LYS  20  25.776  23.229  29.069
  144    H    LYS  21           H        LYS  21  26.800  23.083  36.032
  145    HA   LYS  21           HA       LYS  21  24.874  21.550  37.709
  146    HB2  LYS  21           HB2      LYS  21  27.716  22.601  38.298
  147    HB3  LYS  21           HB3      LYS  21  26.581  22.024  39.567
  148    HG2  LYS  21           HG2      LYS  21  27.596  20.351  37.247
  149    HG3  LYS  21           HG3      LYS  21  28.252  20.310  38.867
  150    HD2  LYS  21           HD2      LYS  21  26.296  19.818  40.030
  151    HD3  LYS  21           HD3      LYS  21  25.346  19.594  38.653
  152    HE2  LYS  21           HE2      LYS  21  26.887  17.912  37.662
  153    HE3  LYS  21           HE3      LYS  21  27.782  17.853  39.186
  154    HZ1  LYS  21           HZ1      LYS  21  26.082  16.103  39.220
  155    HZ2  LYS  21           HZ2      LYS  21  25.390  17.194  40.089
  156    HZ3  LYS  21           HZ3      LYS  21  24.920  17.129  38.576
  157    H    GLU  22           H        GLU  22  25.526  24.474  36.721
  158    HA   GLU  22           HA       GLU  22  24.620  25.982  39.101
  159    HB2  GLU  22           HB2      GLU  22  26.759  26.724  38.109
  160    HB3  GLU  22           HB3      GLU  22  26.047  27.146  36.554
  161    HG2  GLU  22           HG2      GLU  22  24.443  28.600  37.725
  162    HG3  GLU  22           HG3      GLU  22  25.402  28.177  39.200
  163    H    VAL  23           H        VAL  23  23.941  25.943  35.552
  164    HA   VAL  23           HA       VAL  23  21.371  26.747  35.351
  165    HB   VAL  23           HB       VAL  23  22.879  26.035  33.755
  166   HG11  VAL  23          HG11      VAL  23  22.706  23.749  32.614
  167   HG12  VAL  23          HG12      VAL  23  23.024  23.621  34.376
  168   HG13  VAL  23          HG13      VAL  23  21.485  23.234  33.579
  169   HG21  VAL  23          HG21      VAL  23  20.602  26.865  33.319
  170   HG22  VAL  23          HG22      VAL  23  20.999  25.637  32.078
  171   HG23  VAL  23          HG23      VAL  23  20.021  25.221  33.474
  172    H    VAL  24           H        VAL  24  22.525  23.708  36.556
  173    HA   VAL  24           HA       VAL  24  19.789  22.454  36.973
  174    HB   VAL  24           HB       VAL  24  22.154  21.413  36.387
  175   HG11  VAL  24          HG11      VAL  24  23.065  20.111  37.982
  176   HG12  VAL  24          HG12      VAL  24  23.057  21.729  38.698
  177   HG13  VAL  24          HG13      VAL  24  21.957  20.481  39.275
  178   HG21  VAL  24          HG21      VAL  24  21.151  19.464  36.381
  179   HG22  VAL  24          HG22      VAL  24  19.885  19.833  37.707
  180   HG23  VAL  24          HG23      VAL  24  19.761  20.530  36.175
  181    H    GLU  25           H        GLU  25  22.117  23.999  39.182
  182    HA   GLU  25           HA       GLU  25  20.329  23.330  41.427
  183    HB2  GLU  25           HB2      GLU  25  23.108  24.514  41.287
  184    HB3  GLU  25           HB3      GLU  25  22.154  24.532  42.866
  185    HG2  GLU  25           HG2      GLU  25  22.003  22.332  42.942
  186    HG3  GLU  25           HG3      GLU  25  22.970  22.049  41.410
  187    H    GLU  26           H        GLU  26  20.793  25.854  39.230
  188    HA   GLU  26           HA       GLU  26  18.708  27.704  40.484
  189    HB2  GLU  26           HB2      GLU  26  19.702  27.522  37.635
  190    HB3  GLU  26           HB3      GLU  26  18.574  28.626  38.170
  191    HG2  GLU  26           HG2      GLU  26  21.429  28.374  38.886
  192    HG3  GLU  26           HG3      GLU  26  20.543  29.736  38.064
  193    H    ALA  27           H        ALA  27  18.575  25.078  38.160
  194    HA   ALA  27           HA       ALA  27  15.704  25.099  37.519
  195    HB1  ALA  27           HB1      ALA  27  17.783  22.817  37.366
  196    HB2  ALA  27           HB2      ALA  27  16.255  22.795  36.616
  197    HB3  ALA  27           HB3      ALA  27  17.535  23.979  36.138
  198    H    GLU  28           H        GLU  28  17.747  23.680  40.013
  199    HA   GLU  28           HA       GLU  28  15.551  22.313  41.356
  200    HB2  GLU  28           HB2      GLU  28  17.800  21.443  41.277
  201    HB3  GLU  28           HB3      GLU  28  18.409  22.654  42.348
  202    HG2  GLU  28           HG2      GLU  28  17.011  21.768  44.195
  203    HG3  GLU  28           HG3      GLU  28  16.260  20.660  43.118
  204    H    ASN  29           H        ASN  29  17.016  25.467  41.524
  205    HA   ASN  29           HA       ASN  29  16.372  26.188  44.207
  206    HB2  ASN  29           HB2      ASN  29  17.939  27.497  42.911
  207    HB3  ASN  29           HB3      ASN  29  16.690  27.902  41.706
  208   HD21  ASN  29          HD22      ASN  29  17.483  30.090  42.180
  209   HD22  ASN  29          HD21      ASN  29  16.654  30.840  43.571
  Start of MODEL    7
    1    H1   ACE   1          HH32      ACE   1  35.424  10.297  20.223
    2    H2   ACE   1          HH33      ACE   1  34.133   9.093  20.219
    3    H3   ACE   1          HH31      ACE   1  35.163   9.168  18.857
    4    H    SER   2           H        SER   2  32.207  10.150  19.782
    5    HA   SER   2           HA       SER   2  31.552  11.823  17.559
    6    HB2  SER   2           HB2      SER   2  30.002  11.385  20.097
    7    HB3  SER   2           HB3      SER   2  29.362  12.053  18.655
    8    HG   SER   2           HG       SER   2  28.815   9.869  18.592
    9    H    ASP   3           H        ASP   3  33.185  12.918  20.442
   10    HA   ASP   3           HA       ASP   3  31.972  15.265  20.818
   11    HB2  ASP   3           HB2      ASP   3  33.381  14.170  22.224
   12    HB3  ASP   3           HB3      ASP   3  34.798  14.541  21.114
   13    H    ALA   4           H        ALA   4  33.466  14.451  17.900
   14    HA   ALA   4           HA       ALA   4  34.850  16.773  17.275
   15    HB1  ALA   4           HB1      ALA   4  35.408  14.502  16.282
   16    HB2  ALA   4           HB2      ALA   4  33.836  14.381  15.534
   17    HB3  ALA   4           HB3      ALA   4  34.851  15.728  15.050
   18    H    ALA   5           H        ALA   5  31.432  15.440  16.812
   19    HA   ALA   5           HA       ALA   5  30.591  17.455  15.045
   20    HB1  ALA   5           HB1      ALA   5  29.507  15.305  15.405
   21    HB2  ALA   5           HB2      ALA   5  29.198  15.577  17.108
   22    HB3  ALA   5           HB3      ALA   5  28.299  16.498  15.868
   23    H    VAL   6           H        VAL   6  31.261  17.525  18.538
   24    HA   VAL   6           HA       VAL   6  30.052  20.178  18.977
   25    HB   VAL   6           HB       VAL   6  31.183  18.519  21.074
   26   HG11  VAL   6          HG11      VAL   6  30.244  20.968  21.166
   27   HG12  VAL   6          HG12      VAL   6  28.604  20.130  21.294
   28   HG13  VAL   6          HG13      VAL   6  29.790  19.703  22.430
   29   HG21  VAL   6          HG21      VAL   6  28.384  18.160  19.935
   30   HG22  VAL   6          HG22      VAL   6  29.518  16.860  20.156
   31   HG23  VAL   6          HG23      VAL   6  28.839  17.516  21.576
   32    H    ASP   7           H        ASP   7  32.638  19.314  17.596
   33    HA   ASP   7           HA       ASP   7  34.607  20.513  17.083
   34    HB2  ASP   7           HB2      ASP   7  33.050  22.152  16.469
   35    HB3  ASP   7           HB3      ASP   7  32.993  22.860  18.112
   36    H    THR   8           H        THR   8  34.779  19.041  19.104
   37    HA   THR   8           HA       THR   8  36.251  18.268  20.660
   38    HB   THR   8           HB       THR   8  38.181  20.679  20.430
   39    HG1  THR   8           HG1      THR   8  38.062  19.846  18.477
   40   HG21  THR   8          HG21      THR   8  38.602  17.897  21.212
   41   HG22  THR   8          HG22      THR   8  39.748  19.305  21.394
   42   HG23  THR   8          HG23      THR   8  38.371  19.208  22.365
   43    H    SER   9           H        SER   9  34.019  18.827  21.893
   44    HA   SER   9           HA       SER   9  34.245  21.323  23.532
   45    HB2  SER   9           HB2      SER   9  31.987  20.712  24.274
   46    HB3  SER   9           HB3      SER   9  32.169  20.164  22.652
   47    HG   SER   9           HG       SER   9  32.499  18.034  23.600
   48    H    SER  10           H        SER  10  35.501  18.032  24.000
   49    HA   SER  10           HA       SER  10  35.800  18.150  26.680
   50    HB2  SER  10           HB2      SER  10  37.718  17.100  24.583
   51    HB3  SER  10           HB3      SER  10  37.612  16.607  26.441
   52    HG   SER  10           HG       SER  10  36.011  16.097  24.287
   53    H    GLU  11           H        GLU  11  36.855  20.512  24.560
   54    HA   GLU  11           HA       GLU  11  39.430  21.253  25.734
   55    HB2  GLU  11           HB2      GLU  11  38.645  21.786  23.425
   56    HB3  GLU  11           HB3      GLU  11  37.591  23.007  24.076
   57    HG2  GLU  11           HG2      GLU  11  39.731  23.997  25.245
   58    HG3  GLU  11           HG3      GLU  11  40.550  22.621  24.403
   59    H    ILE  12           H        ILE  12  36.322  22.580  25.829
   60    HA   ILE  12           HA       ILE  12  36.759  24.198  28.224
   61    HB   ILE  12           HB       ILE  12  34.809  25.317  27.675
   62   HG12  ILE  12          HG12      ILE  12  34.505  23.683  25.173
   63   HG13  ILE  12          HG13      ILE  12  33.746  23.120  26.585
   64   HG21  ILE  12          HG21      ILE  12  36.439  25.133  25.278
   65   HG22  ILE  12          HG22      ILE  12  35.251  26.387  25.503
   66   HG23  ILE  12          HG23      ILE  12  36.733  26.312  26.540
   67   HD11  ILE  12          HD11      ILE  12  32.324  24.356  24.958
   68   HD12  ILE  12          HD12      ILE  12  32.173  24.640  26.749
   69   HD13  ILE  12          HD13      ILE  12  32.994  25.844  25.850
   70    H    THR  13           H        THR  13  35.316  21.256  27.651
   71    HA   THR  13           HA       THR  13  33.099  20.815  28.911
   72    HB   THR  13           HB       THR  13  34.361  19.268  27.944
   73    HG1  THR  13           HG1      THR  13  33.525  17.750  28.739
   74   HG21  THR  13          HG21      THR  13  35.991  18.992  30.521
   75   HG22  THR  13          HG22      THR  13  36.019  17.993  28.993
   76   HG23  THR  13          HG23      THR  13  36.535  19.737  28.978
   77    H    THR  14           H        THR  14  36.069  21.333  30.965
   78    HA   THR  14           HA       THR  14  34.548  21.144  33.435
   79    HB   THR  14           HB       THR  14  37.074  22.828  33.218
   80    HG1  THR  14           HG1      THR  14  38.124  20.680  33.583
   81   HG21  THR  14          HG21      THR  14  36.309  20.903  35.334
   82   HG22  THR  14          HG22      THR  14  37.539  22.150  35.531
   83   HG23  THR  14          HG23      THR  14  35.784  22.608  35.300
   84    H    LYS  15           H        LYS  15  35.341  24.042  31.565
   85    HA   LYS  15           HA       LYS  15  33.871  26.049  32.985
   86    HB2  LYS  15           HB2      LYS  15  34.101  25.886  29.871
   87    HB3  LYS  15           HB3      LYS  15  33.418  27.168  30.908
   88    HG2  LYS  15           HG2      LYS  15  35.837  27.346  32.098
   89    HG3  LYS  15           HG3      LYS  15  36.288  26.033  31.041
   90    HD2  LYS  15           HD2      LYS  15  36.042  27.603  29.061
   91    HD3  LYS  15           HD3      LYS  15  35.187  28.777  29.943
   92    HE2  LYS  15           HE2      LYS  15  36.910  29.326  31.300
   93    HE3  LYS  15           HE3      LYS  15  37.881  27.900  30.651
   94    HZ1  LYS  15           HZ1      LYS  15  36.966  30.210  28.938
   95    HZ2  LYS  15           HZ2      LYS  15  38.368  30.190  29.517
   96    HZ3  LYS  15           HZ3      LYS  15  37.951  28.923  28.558
   97    H    ASP  16           H        ASP  16  32.941  23.872  30.535
   98    HA   ASP  16           HA       ASP  16  30.064  24.312  30.448
   99    HB2  ASP  16           HB2      ASP  16  31.721  23.130  28.828
  100    HB3  ASP  16           HB3      ASP  16  31.171  21.695  29.721
  101    H    LEU  17           H        LEU  17  31.924  22.214  32.700
  102    HA   LEU  17           HA       LEU  17  29.219  21.052  33.480
  103    HB2  LEU  17           HB2      LEU  17  31.989  20.280  34.205
  104    HB3  LEU  17           HB3      LEU  17  30.550  19.605  35.044
  105    HG   LEU  17           HG       LEU  17  30.710  19.641  32.069
  106   HD11  LEU  17          HD11      LEU  17  32.078  17.685  34.054
  107   HD12  LEU  17          HD12      LEU  17  31.918  17.410  32.315
  108   HD13  LEU  17          HD13      LEU  17  32.924  18.742  32.866
  109   HD21  LEU  17          HD21      LEU  17  29.565  17.725  34.198
  110   HD22  LEU  17          HD22      LEU  17  28.570  18.461  32.849
  111   HD23  LEU  17          HD23      LEU  17  29.706  17.253  32.525
  112    H    LYS  18           H        LYS  18  31.379  23.654  34.531
  113    HA   LYS  18           HA       LYS  18  30.154  23.981  37.164
  114    HB2  LYS  18           HB2      LYS  18  32.117  25.444  35.358
  115    HB3  LYS  18           HB3      LYS  18  31.046  26.405  36.398
  116    HG2  LYS  18           HG2      LYS  18  32.584  26.148  38.027
  117    HG3  LYS  18           HG3      LYS  18  31.782  24.762  38.339
  118    HD2  LYS  18           HD2      LYS  18  33.129  23.430  36.770
  119    HD3  LYS  18           HD3      LYS  18  34.244  24.892  36.809
  120    HE2  LYS  18           HE2      LYS  18  33.613  23.259  39.206
  121    HE3  LYS  18           HE3      LYS  18  35.001  22.992  38.287
  122    HZ1  LYS  18           HZ1      LYS  18  35.430  24.691  40.159
  123    HZ2  LYS  18           HZ2      LYS  18  35.857  25.281  38.768
  124    HZ3  LYS  18           HZ3      LYS  18  34.379  25.618  39.475
  125    H    GLU  19           H        GLU  19  29.619  24.981  33.773
  126    HA   GLU  19           HA       GLU  19  27.438  26.778  34.240
  127    HB2  GLU  19           HB2      GLU  19  28.637  26.758  32.280
  128    HB3  GLU  19           HB3      GLU  19  28.418  24.986  31.906
  129    HG2  GLU  19           HG2      GLU  19  26.188  25.208  31.446
  130    HG3  GLU  19           HG3      GLU  19  26.153  26.882  31.812
  131    H    LYS  20           H        LYS  20  27.678  23.251  33.417
  132    HA   LYS  20           HA       LYS  20  24.902  22.901  33.271
  133    HB2  LYS  20           HB2      LYS  20  27.182  21.115  33.680
  134    HB3  LYS  20           HB3      LYS  20  25.625  20.332  33.532
  135    HG2  LYS  20           HG2      LYS  20  26.908  21.799  31.238
  136    HG3  LYS  20           HG3      LYS  20  26.649  20.111  31.505
  137    HD2  LYS  20           HD2      LYS  20  24.053  20.702  31.558
  138    HD3  LYS  20           HD3      LYS  20  24.590  22.332  31.248
  139    HE2  LYS  20           HE2      LYS  20  24.922  19.747  29.588
  140    HE3  LYS  20           HE3      LYS  20  23.954  21.116  29.151
  141    HZ1  LYS  20           HZ1      LYS  20  25.907  22.490  28.827
  142    HZ2  LYS  20           HZ2      LYS  20  26.946  21.312  28.961
  143    HZ3  LYS  20           HZ3      LYS  20  26.048  21.244  27.769
  144    H    LYS  21           H        LYS  21  26.837  23.017  36.061
  145    HA   LYS  21           HA       LYS  21  25.108  21.826  38.192
  146    HB2  LYS  21           HB2      LYS  21  27.909  22.746  37.714
  147    HB3  LYS  21           HB3      LYS  21  27.264  22.591  39.342
  148    HG2  LYS  21           HG2      LYS  21  26.856  20.284  39.180
  149    HG3  LYS  21           HG3      LYS  21  27.233  20.126  37.496
  150    HD2  LYS  21           HD2      LYS  21  29.546  20.971  38.047
  151    HD3  LYS  21           HD3      LYS  21  29.061  21.131  39.753
  152    HE2  LYS  21           HE2      LYS  21  28.948  18.397  38.547
  153    HE3  LYS  21           HE3      LYS  21  30.509  19.035  38.987
  154    HZ1  LYS  21           HZ1      LYS  21  29.624  19.224  41.234
  155    HZ2  LYS  21           HZ2      LYS  21  28.104  18.821  40.593
  156    HZ3  LYS  21           HZ3      LYS  21  29.268  17.718  40.780
  157    H    GLU  22           H        GLU  22  25.690  24.904  36.691
  158    HA   GLU  22           HA       GLU  22  25.117  26.596  39.008
  159    HB2  GLU  22           HB2      GLU  22  26.973  27.474  37.874
  160    HB3  GLU  22           HB3      GLU  22  26.193  27.402  36.285
  161    HG2  GLU  22           HG2      GLU  22  24.439  28.981  37.017
  162    HG3  GLU  22           HG3      GLU  22  25.280  29.170  38.514
  163    H    VAL  23           H        VAL  23  24.197  26.136  35.708
  164    HA   VAL  23           HA       VAL  23  21.627  27.223  35.604
  165    HB   VAL  23           HB       VAL  23  23.147  26.265  33.734
  166   HG11  VAL  23          HG11      VAL  23  22.668  24.061  32.772
  167   HG12  VAL  23          HG12      VAL  23  23.178  23.845  34.322
  168   HG13  VAL  23          HG13      VAL  23  21.379  23.760  33.972
  169   HG21  VAL  23          HG21      VAL  23  21.269  26.360  32.314
  170   HG22  VAL  23          HG22      VAL  23  20.141  25.802  33.613
  171   HG23  VAL  23          HG23      VAL  23  20.890  27.451  33.632
  172    H    VAL  24           H        VAL  24  22.724  24.082  36.722
  173    HA   VAL  24           HA       VAL  24  19.872  23.224  37.185
  174    HB   VAL  24           HB       VAL  24  21.701  21.721  36.177
  175   HG11  VAL  24          HG11      VAL  24  21.680  20.494  38.947
  176   HG12  VAL  24          HG12      VAL  24  22.696  20.154  37.552
  177   HG13  VAL  24          HG13      VAL  24  23.027  21.617  38.419
  178   HG21  VAL  24          HG21      VAL  24  19.288  21.220  36.344
  179   HG22  VAL  24          HG22      VAL  24  20.142  19.798  36.690
  180   HG23  VAL  24          HG23      VAL  24  19.507  20.702  38.026
  181    H    GLU  25           H        GLU  25  22.225  24.635  39.186
  182    HA   GLU  25           HA       GLU  25  20.737  23.698  41.608
  183    HB2  GLU  25           HB2      GLU  25  23.115  24.081  41.615
  184    HB3  GLU  25           HB3      GLU  25  23.045  25.640  41.054
  185    HG2  GLU  25           HG2      GLU  25  21.721  26.441  42.938
  186    HG3  GLU  25           HG3      GLU  25  21.668  24.819  43.673
  187    H    GLU  26           H        GLU  26  20.704  26.588  39.335
  188    HA   GLU  26           HA       GLU  26  18.643  28.051  40.734
  189    HB2  GLU  26           HB2      GLU  26  19.586  28.068  37.888
  190    HB3  GLU  26           HB3      GLU  26  18.177  29.036  38.387
  191    HG2  GLU  26           HG2      GLU  26  20.947  29.325  39.386
  192    HG3  GLU  26           HG3      GLU  26  19.962  30.374  38.443
  193    H    ALA  27           H        ALA  27  18.665  25.413  38.190
  194    HA   ALA  27           HA       ALA  27  15.752  25.545  37.960
  195    HB1  ALA  27           HB1      ALA  27  17.837  23.670  36.870
  196    HB2  ALA  27           HB2      ALA  27  16.132  23.942  36.192
  197    HB3  ALA  27           HB3      ALA  27  17.365  25.195  36.125
  198    H    GLU  28           H        GLU  28  17.785  23.730  40.236
  199    HA   GLU  28           HA       GLU  28  15.678  21.734  40.676
  200    HB2  GLU  28           HB2      GLU  28  18.379  22.078  41.874
  201    HB3  GLU  28           HB3      GLU  28  17.168  21.115  42.586
  202    HG2  GLU  28           HG2      GLU  28  17.135  19.659  40.525
  203    HG3  GLU  28           HG3      GLU  28  18.239  20.708  39.769
  204    H    ASN  29           H        ASN  29  16.249  24.783  41.373
  205    HA   ASN  29           HA       ASN  29  15.424  24.641  44.152
  206    HB2  ASN  29           HB2      ASN  29  17.015  26.460  42.947
  207    HB3  ASN  29           HB3      ASN  29  15.429  27.241  42.520
  208   HD21  ASN  29          HD22      ASN  29  17.602  26.540  45.270
  209   HD22  ASN  29          HD21      ASN  29  16.671  27.553  46.385
  Start of MODEL    8
    1    H1   ACE   1          HH32      ACE   1  35.970  12.713  15.056
    2    H2   ACE   1          HH33      ACE   1  37.474  12.981  14.596
    3    H3   ACE   1          HH31      ACE   1  37.163  13.479  16.277
    4    H    SER   2           H        SER   2  34.591  14.501  15.758
    5    HA   SER   2           HA       SER   2  34.486  16.747  13.972
    6    HB2  SER   2           HB2      SER   2  32.690  15.745  16.358
    7    HB3  SER   2           HB3      SER   2  32.289  17.128  15.385
    8    HG   SER   2           HG       SER   2  31.610  14.763  14.678
    9    H    ASP   3           H        ASP   3  35.750  16.294  17.072
   10    HA   ASP   3           HA       ASP   3  35.112  18.788  18.271
   11    HB2  ASP   3           HB2      ASP   3  36.162  16.559  19.126
   12    HB3  ASP   3           HB3      ASP   3  37.643  17.412  18.788
   13    H    ALA   4           H        ALA   4  37.577  18.005  15.769
   14    HA   ALA   4           HA       ALA   4  39.295  20.322  16.139
   15    HB1  ALA   4           HB1      ALA   4  38.412  19.427  13.494
   16    HB2  ALA   4           HB2      ALA   4  39.936  20.164  13.795
   17    HB3  ALA   4           HB3      ALA   4  39.670  18.489  14.308
   18    H    ALA   5           H        ALA   5  36.101  20.253  14.742
   19    HA   ALA   5           HA       ALA   5  36.471  22.997  13.974
   20    HB1  ALA   5           HB1      ALA   5  33.874  21.354  13.990
   21    HB2  ALA   5           HB2      ALA   5  34.067  23.025  13.199
   22    HB3  ALA   5           HB3      ALA   5  34.973  21.715  12.624
   23    H    VAL   6           H        VAL   6  35.844  21.728  16.979
   24    HA   VAL   6           HA       VAL   6  34.926  24.353  17.958
   25    HB   VAL   6           HB       VAL   6  35.022  22.026  19.745
   26   HG11  VAL   6          HG11      VAL   6  34.157  24.661  20.117
   27   HG12  VAL   6          HG12      VAL   6  32.814  23.955  19.271
   28   HG13  VAL   6          HG13      VAL   6  33.279  23.298  20.881
   29   HG21  VAL   6          HG21      VAL   6  32.867  22.346  17.621
   30   HG22  VAL   6          HG22      VAL   6  33.995  20.967  17.931
   31   HG23  VAL   6          HG23      VAL   6  32.831  21.328  19.098
   32    H    ASP   7           H        ASP   7  37.905  23.200  17.243
   33    HA   ASP   7           HA       ASP   7  39.833  23.338  17.842
   34    HB2  ASP   7           HB2      ASP   7  39.359  25.744  17.853
   35    HB3  ASP   7           HB3      ASP   7  39.168  25.691  19.576
   36    H    THR   8           H        THR   8  38.419  21.352  19.079
   37    HA   THR   8           HA       THR   8  38.825  19.611  20.398
   38    HB   THR   8           HB       THR   8  41.420  20.719  21.506
   39    HG1  THR   8           HG1      THR   8  41.578  20.524  19.495
   40   HG21  THR   8          HG21      THR   8  40.422  17.920  21.118
   41   HG22  THR   8          HG22      THR   8  41.917  18.370  21.927
   42   HG23  THR   8          HG23      THR   8  40.242  18.659  22.643
   43    H    SER   9           H        SER   9  36.870  20.806  21.226
   44    HA   SER   9           HA       SER   9  36.946  22.447  23.677
   45    HB2  SER   9           HB2      SER   9  34.705  22.503  23.488
   46    HB3  SER   9           HB3      SER   9  35.245  22.704  21.890
   47    HG   SER   9           HG       SER   9  35.006  20.249  21.725
   48    H    SER  10           H        SER  10  37.040  18.946  23.103
   49    HA   SER  10           HA       SER  10  36.328  17.968  25.680
   50    HB2  SER  10           HB2      SER  10  38.665  17.307  23.889
   51    HB3  SER  10           HB3      SER  10  37.954  16.391  25.294
   52    HG   SER  10           HG       SER  10  36.704  16.804  22.737
   53    H    GLU  11           H        GLU  11  39.259  20.160  24.983
   54    HA   GLU  11           HA       GLU  11  40.288  19.240  27.553
   55    HB2  GLU  11           HB2      GLU  11  40.927  21.506  25.723
   56    HB3  GLU  11           HB3      GLU  11  42.051  21.252  27.063
   57    HG2  GLU  11           HG2      GLU  11  41.936  18.792  25.762
   58    HG3  GLU  11           HG3      GLU  11  41.481  19.864  24.463
   59    H    ILE  12           H        ILE  12  38.279  21.848  26.588
   60    HA   ILE  12           HA       ILE  12  38.527  23.324  29.131
   61    HB   ILE  12           HB       ILE  12  37.224  25.055  28.081
   62   HG12  ILE  12          HG12      ILE  12  37.055  23.869  25.367
   63   HG13  ILE  12          HG13      ILE  12  35.851  23.216  26.446
   64   HG21  ILE  12          HG21      ILE  12  39.353  24.116  26.044
   65   HG22  ILE  12          HG22      ILE  12  38.797  25.767  26.266
   66   HG23  ILE  12          HG23      ILE  12  39.636  25.035  27.641
   67   HD11  ILE  12          HD11      ILE  12  36.419  26.182  25.667
   68   HD12  ILE  12          HD12      ILE  12  35.064  25.275  25.376
   69   HD13  ILE  12          HD13      ILE  12  35.445  25.774  27.141
   70    H    THR  13           H        THR  13  36.308  21.099  27.986
   71    HA   THR  13           HA       THR  13  33.790  21.651  28.876
   72    HB   THR  13           HB       THR  13  34.486  19.612  27.701
   73    HG1  THR  13           HG1      THR  13  33.485  18.008  28.760
   74   HG21  THR  13          HG21      THR  13  36.699  19.244  29.147
   75   HG22  THR  13          HG22      THR  13  35.586  18.300  30.212
   76   HG23  THR  13          HG23      THR  13  35.784  17.968  28.502
   77    H    THR  14           H        THR  14  36.270  21.337  31.232
   78    HA   THR  14           HA       THR  14  34.501  20.892  33.409
   79    HB   THR  14           HB       THR  14  36.929  22.654  33.841
   80    HG1  THR  14           HG1      THR  14  37.691  20.916  32.598
   81   HG21  THR  14          HG21      THR  14  35.377  22.169  35.663
   82   HG22  THR  14          HG22      THR  14  35.514  20.473  35.323
   83   HG23  THR  14          HG23      THR  14  36.980  21.347  35.866
   84    H    LYS  15           H        LYS  15  35.306  23.745  31.628
   85    HA   LYS  15           HA       LYS  15  34.049  25.786  33.321
   86    HB2  LYS  15           HB2      LYS  15  34.589  25.816  30.369
   87    HB3  LYS  15           HB3      LYS  15  34.114  27.182  31.268
   88    HG2  LYS  15           HG2      LYS  15  35.916  27.294  32.797
   89    HG3  LYS  15           HG3      LYS  15  36.481  25.767  32.293
   90    HD2  LYS  15           HD2      LYS  15  37.184  26.223  30.247
   91    HD3  LYS  15           HD3      LYS  15  36.244  27.710  30.107
   92    HE2  LYS  15           HE2      LYS  15  37.746  28.954  31.531
   93    HE3  LYS  15           HE3      LYS  15  38.364  27.393  32.303
   94    HZ1  LYS  15           HZ1      LYS  15  39.660  27.099  30.373
   95    HZ2  LYS  15           HZ2      LYS  15  39.186  28.503  29.752
   96    HZ3  LYS  15           HZ3      LYS  15  40.150  28.473  31.108
   97    H    ASP  16           H        ASP  16  33.115  23.858  30.532
   98    HA   ASP  16           HA       ASP  16  30.401  24.632  30.270
   99    HB2  ASP  16           HB2      ASP  16  31.778  23.447  28.591
  100    HB3  ASP  16           HB3      ASP  16  31.426  21.945  29.567
  101    H    LEU  17           H        LEU  17  31.754  22.161  32.369
  102    HA   LEU  17           HA       LEU  17  29.071  21.158  33.028
  103    HB2  LEU  17           HB2      LEU  17  31.832  20.363  33.858
  104    HB3  LEU  17           HB3      LEU  17  30.370  19.507  34.527
  105    HG   LEU  17           HG       LEU  17  30.953  19.584  31.610
  106   HD11  LEU  17          HD11      LEU  17  32.880  18.581  32.478
  107   HD12  LEU  17          HD12      LEU  17  31.845  17.547  33.567
  108   HD13  LEU  17          HD13      LEU  17  31.904  17.383  31.796
  109   HD21  LEU  17          HD21      LEU  17  29.386  17.687  33.374
  110   HD22  LEU  17          HD22      LEU  17  28.665  19.153  32.393
  111   HD23  LEU  17          HD23      LEU  17  29.276  17.757  31.592
  112    H    LYS  18           H        LYS  18  31.262  23.660  34.168
  113    HA   LYS  18           HA       LYS  18  29.913  23.818  36.836
  114    HB2  LYS  18           HB2      LYS  18  32.157  25.186  35.219
  115    HB3  LYS  18           HB3      LYS  18  31.392  26.313  36.190
  116    HG2  LYS  18           HG2      LYS  18  33.119  25.564  37.551
  117    HG3  LYS  18           HG3      LYS  18  31.601  24.974  38.300
  118    HD2  LYS  18           HD2      LYS  18  31.913  22.820  37.449
  119    HD3  LYS  18           HD3      LYS  18  33.290  23.277  36.463
  120    HE2  LYS  18           HE2      LYS  18  33.981  22.001  38.297
  121    HE3  LYS  18           HE3      LYS  18  34.659  23.543  38.527
  122    HZ1  LYS  18           HZ1      LYS  18  32.081  23.113  39.743
  123    HZ2  LYS  18           HZ2      LYS  18  33.459  22.781  40.633
  124    HZ3  LYS  18           HZ3      LYS  18  33.181  24.248  40.000
  125    H    GLU  19           H        GLU  19  29.538  24.917  33.583
  126    HA   GLU  19           HA       GLU  19  27.358  26.749  34.284
  127    HB2  GLU  19           HB2      GLU  19  28.676  26.641  32.160
  128    HB3  GLU  19           HB3      GLU  19  27.858  25.123  31.750
  129    HG2  GLU  19           HG2      GLU  19  25.750  26.553  32.091
  130    HG3  GLU  19           HG3      GLU  19  26.965  27.907  31.741
  131    H    LYS  20           H        LYS  20  27.455  23.293  33.172
  132    HA   LYS  20           HA       LYS  20  24.771  22.788  33.516
  133    HB2  LYS  20           HB2      LYS  20  27.125  20.871  33.649
  134    HB3  LYS  20           HB3      LYS  20  25.354  20.400  33.434
  135    HG2  LYS  20           HG2      LYS  20  27.078  21.819  31.436
  136    HG3  LYS  20           HG3      LYS  20  26.212  20.355  31.408
  137    HD2  LYS  20           HD2      LYS  20  24.070  21.335  31.068
  138    HD3  LYS  20           HD3      LYS  20  24.663  22.963  31.460
  139    HE2  LYS  20           HE2      LYS  20  24.822  21.386  29.096
  140    HE3  LYS  20           HE3      LYS  20  24.316  23.098  29.276
  141    HZ1  LYS  20           HZ1      LYS  20  26.510  22.973  28.198
  142    HZ2  LYS  20           HZ2      LYS  20  26.625  23.793  29.557
  143    HZ3  LYS  20           HZ3      LYS  20  27.269  22.316  29.357
  144    H    LYS  21           H        LYS  21  27.063  22.998  36.206
  145    HA   LYS  21           HA       LYS  21  24.978  21.884  38.094
  146    HB2  LYS  21           HB2      LYS  21  27.788  22.977  38.632
  147    HB3  LYS  21           HB3      LYS  21  26.648  22.360  39.833
  148    HG2  LYS  21           HG2      LYS  21  26.439  20.179  38.916
  149    HG3  LYS  21           HG3      LYS  21  27.538  20.574  37.562
  150    HD2  LYS  21           HD2      LYS  21  29.423  20.775  39.024
  151    HD3  LYS  21           HD3      LYS  21  28.454  20.734  40.458
  152    HE2  LYS  21           HE2      LYS  21  27.963  18.335  40.139
  153    HE3  LYS  21           HE3      LYS  21  28.527  18.439  38.384
  154    HZ1  LYS  21           HZ1      LYS  21  30.060  17.304  39.757
  155    HZ2  LYS  21           HZ2      LYS  21  30.726  18.777  39.388
  156    HZ3  LYS  21           HZ3      LYS  21  30.138  18.403  40.851
  157    H    GLU  22           H        GLU  22  25.753  24.877  36.689
  158    HA   GLU  22           HA       GLU  22  25.304  26.497  39.086
  159    HB2  GLU  22           HB2      GLU  22  27.198  27.196  37.561
  160    HB3  GLU  22           HB3      GLU  22  25.878  27.520  36.387
  161    HG2  GLU  22           HG2      GLU  22  26.280  29.642  37.546
  162    HG3  GLU  22           HG3      GLU  22  24.692  28.898  37.913
  163    H    VAL  23           H        VAL  23  24.240  26.269  35.561
  164    HA   VAL  23           HA       VAL  23  21.902  27.472  35.586
  165    HB   VAL  23           HB       VAL  23  23.387  26.225  33.682
  166   HG11  VAL  23          HG11      VAL  23  22.951  23.913  34.344
  167   HG12  VAL  23          HG12      VAL  23  21.306  24.149  34.136
  168   HG13  VAL  23          HG13      VAL  23  22.295  24.159  32.763
  169   HG21  VAL  23          HG21      VAL  23  21.360  26.487  32.142
  170   HG22  VAL  23          HG22      VAL  23  20.386  26.415  33.628
  171   HG23  VAL  23          HG23      VAL  23  21.467  27.821  33.320
  172    H    VAL  24           H        VAL  24  22.796  24.128  36.678
  173    HA   VAL  24           HA       VAL  24  19.943  23.731  36.766
  174    HB   VAL  24           HB       VAL  24  21.716  21.886  35.985
  175   HG11  VAL  24          HG11      VAL  24  22.953  21.984  38.353
  176   HG12  VAL  24          HG12      VAL  24  21.415  21.159  38.770
  177   HG13  VAL  24          HG13      VAL  24  22.606  20.530  37.444
  178   HG21  VAL  24          HG21      VAL  24  20.255  20.089  36.397
  179   HG22  VAL  24          HG22      VAL  24  19.497  20.755  37.728
  180   HG23  VAL  24          HG23      VAL  24  19.428  21.624  36.060
  181    H    GLU  25           H        GLU  25  22.275  24.495  39.352
  182    HA   GLU  25           HA       GLU  25  20.594  23.652  41.344
  183    HB2  GLU  25           HB2      GLU  25  22.771  24.179  41.796
  184    HB3  GLU  25           HB3      GLU  25  22.462  25.867  41.248
  185    HG2  GLU  25           HG2      GLU  25  21.090  26.159  43.197
  186    HG3  GLU  25           HG3      GLU  25  21.671  24.547  43.858
  187    H    GLU  26           H        GLU  26  20.185  26.530  39.216
  188    HA   GLU  26           HA       GLU  26  18.032  27.636  40.805
  189    HB2  GLU  26           HB2      GLU  26  17.605  29.173  39.341
  190    HB3  GLU  26           HB3      GLU  26  19.384  28.994  39.562
  191    HG2  GLU  26           HG2      GLU  26  19.714  28.315  37.496
  192    HG3  GLU  26           HG3      GLU  26  18.107  27.593  37.224
  193    H    ALA  27           H        ALA  27  18.315  24.847  38.692
  194    HA   ALA  27           HA       ALA  27  15.458  24.896  37.877
  195    HB1  ALA  27           HB1      ALA  27  17.683  22.921  37.292
  196    HB2  ALA  27           HB2      ALA  27  15.979  22.990  36.714
  197    HB3  ALA  27           HB3      ALA  27  17.109  24.203  36.140
  198    H    GLU  28           H        GLU  28  17.575  23.574  40.308
  199    HA   GLU  28           HA       GLU  28  15.634  21.572  41.137
  200    HB2  GLU  28           HB2      GLU  28  18.335  22.428  42.167
  201    HB3  GLU  28           HB3      GLU  28  17.428  21.228  42.903
  202    HG2  GLU  28           HG2      GLU  28  18.404  21.062  39.949
  203    HG3  GLU  28           HG3      GLU  28  19.211  20.278  41.265
  204    H    ASN  29           H        ASN  29  16.808  24.595  42.130
  205    HA   ASN  29           HA       ASN  29  15.011  25.006  44.462
  206    HB2  ASN  29           HB2      ASN  29  17.299  26.897  43.513
  207    HB3  ASN  29           HB3      ASN  29  16.206  27.118  44.802
  208   HD21  ASN  29          HD22      ASN  29  18.928  25.122  43.744
  209   HD22  ASN  29          HD21      ASN  29  19.116  24.297  45.296
  Start of MODEL    9
    1    H1   ACE   1          HH32      ACE   1  32.849  15.037  13.454
    2    H2   ACE   1          HH33      ACE   1  33.627  16.626  13.263
    3    H3   ACE   1          HH31      ACE   1  33.976  15.568  14.678
    4    H    SER   2           H        SER   2  31.909  14.698  15.545
    5    HA   SER   2           HA       SER   2  29.627  16.215  16.248
    6    HB2  SER   2           HB2      SER   2  31.250  14.660  18.213
    7    HB3  SER   2           HB3      SER   2  29.538  14.859  18.244
    8    HG   SER   2           HG       SER   2  30.161  12.838  17.410
    9    H    ASP   3           H        ASP   3  32.974  16.583  17.716
   10    HA   ASP   3           HA       ASP   3  32.023  19.001  19.121
   11    HB2  ASP   3           HB2      ASP   3  32.958  17.066  20.313
   12    HB3  ASP   3           HB3      ASP   3  34.551  17.223  19.378
   13    H    ALA   4           H        ALA   4  33.701  18.272  16.159
   14    HA   ALA   4           HA       ALA   4  35.406  20.638  16.293
   15    HB1  ALA   4           HB1      ALA   4  36.113  18.772  15.092
   16    HB2  ALA   4           HB2      ALA   4  34.499  18.576  14.269
   17    HB3  ALA   4           HB3      ALA   4  35.614  19.852  13.936
   18    H    ALA   5           H        ALA   5  31.898  19.876  15.480
   19    HA   ALA   5           HA       ALA   5  31.513  22.235  13.728
   20    HB1  ALA   5           HB1      ALA   5  30.022  20.140  13.685
   21    HB2  ALA   5           HB2      ALA   5  29.581  20.687  15.296
   22    HB3  ALA   5           HB3      ALA   5  29.181  21.686  13.939
   23    H    VAL   6           H        VAL   6  30.995  21.499  17.129
   24    HA   VAL   6           HA       VAL   6  30.521  24.153  18.216
   25    HB   VAL   6           HB       VAL   6  31.665  21.748  19.696
   26   HG11  VAL   6          HG11      VAL   6  29.243  23.412  20.596
   27   HG12  VAL   6          HG12      VAL   6  29.982  22.209  21.538
   28   HG13  VAL   6          HG13      VAL   6  30.875  23.714  21.086
   29   HG21  VAL   6          HG21      VAL   6  30.060  20.570  18.402
   30   HG22  VAL   6          HG22      VAL   6  29.437  20.671  20.083
   31   HG23  VAL   6          HG23      VAL   6  28.763  21.736  18.848
   32    H    ASP   7           H        ASP   7  33.117  23.321  16.704
   33    HA   ASP   7           HA       ASP   7  35.299  24.101  16.511
   34    HB2  ASP   7           HB2      ASP   7  34.029  26.000  16.548
   35    HB3  ASP   7           HB3      ASP   7  34.232  26.225  18.365
   36    H    THR   8           H        THR   8  35.011  21.955  18.246
   37    HA   THR   8           HA       THR   8  36.144  20.665  19.392
   38    HB   THR   8           HB       THR   8  38.433  22.526  19.176
   39    HG1  THR   8           HG1      THR   8  37.735  21.945  17.272
   40   HG21  THR   8          HG21      THR   8  38.756  20.528  20.907
   41   HG22  THR   8          HG22      THR   8  38.548  19.467  19.421
   42   HG23  THR   8          HG23      THR   8  39.797  20.640  19.518
   43    H    SER   9           H        SER   9  34.447  21.468  21.033
   44    HA   SER   9           HA       SER   9  35.314  23.238  23.149
   45    HB2  SER   9           HB2      SER   9  33.157  23.015  23.975
   46    HB3  SER   9           HB3      SER   9  33.038  23.418  22.286
   47    HG   SER   9           HG       SER   9  32.907  20.953  22.088
   48    H    SER  10           H        SER  10  35.851  19.933  22.751
   49    HA   SER  10           HA       SER  10  35.619  19.000  25.520
   50    HB2  SER  10           HB2      SER  10  37.495  18.061  23.360
   51    HB3  SER  10           HB3      SER  10  37.267  17.105  24.750
   52    HG   SER  10           HG       SER  10  35.563  17.757  22.633
   53    H    GLU  11           H        GLU  11  37.543  21.236  24.361
   54    HA   GLU  11           HA       GLU  11  39.603  20.958  26.471
   55    HB2  GLU  11           HB2      GLU  11  39.325  23.248  24.564
   56    HB3  GLU  11           HB3      GLU  11  40.537  23.254  25.778
   57    HG2  GLU  11           HG2      GLU  11  41.233  20.868  24.708
   58    HG3  GLU  11           HG3      GLU  11  40.245  21.373  23.402
   59    H    ILE  12           H        ILE  12  36.701  22.899  26.006
   60    HA   ILE  12           HA       ILE  12  37.199  24.191  28.598
   61    HB   ILE  12           HB       ILE  12  35.473  25.730  28.176
   62   HG12  ILE  12          HG12      ILE  12  34.959  24.848  25.275
   63   HG13  ILE  12          HG13      ILE  12  34.209  23.910  26.323
   64   HG21  ILE  12          HG21      ILE  12  37.658  26.556  27.313
   65   HG22  ILE  12          HG22      ILE  12  37.079  25.926  25.711
   66   HG23  ILE  12          HG23      ILE  12  36.316  27.316  26.485
   67   HD11  ILE  12          HD11      ILE  12  32.854  25.813  27.150
   68   HD12  ILE  12          HD12      ILE  12  34.049  26.888  26.311
   69   HD13  ILE  12          HD13      ILE  12  32.840  25.838  25.394
   70    H    THR  13           H        THR  13  35.501  21.645  27.489
   71    HA   THR  13           HA       THR  13  33.112  21.548  28.500
   72    HB   THR  13           HB       THR  13  34.241  19.947  27.344
   73    HG1  THR  13           HG1      THR  13  32.418  19.244  28.155
   74   HG21  THR  13          HG21      THR  13  36.448  19.522  28.284
   75   HG22  THR  13          HG22      THR  13  35.708  19.125  29.905
   76   HG23  THR  13          HG23      THR  13  35.616  18.045  28.616
   77    H    THR  14           H        THR  14  36.007  21.383  30.736
   78    HA   THR  14           HA       THR  14  34.340  20.875  32.991
   79    HB   THR  14           HB       THR  14  36.972  22.382  33.192
   80    HG1  THR  14           HG1      THR  14  37.812  20.407  33.198
   81   HG21  THR  14          HG21      THR  14  35.318  20.545  35.172
   82   HG22  THR  14          HG22      THR  14  36.972  21.060  35.471
   83   HG23  THR  14          HG23      THR  14  35.608  22.178  35.435
   84    H    LYS  15           H        LYS  15  35.244  23.974  31.533
   85    HA   LYS  15           HA       LYS  15  33.954  25.588  33.571
   86    HB2  LYS  15           HB2      LYS  15  34.351  26.256  30.690
   87    HB3  LYS  15           HB3      LYS  15  34.135  27.391  31.945
   88    HG2  LYS  15           HG2      LYS  15  36.538  26.860  32.813
   89    HG3  LYS  15           HG3      LYS  15  36.712  25.652  31.514
   90    HD2  LYS  15           HD2      LYS  15  37.788  27.628  30.935
   91    HD3  LYS  15           HD3      LYS  15  36.532  27.364  29.821
   92    HE2  LYS  15           HE2      LYS  15  35.081  29.059  31.401
   93    HE3  LYS  15           HE3      LYS  15  36.560  29.342  32.207
   94    HZ1  LYS  15           HZ1      LYS  15  35.872  30.109  29.476
   95    HZ2  LYS  15           HZ2      LYS  15  36.721  30.963  30.615
   96    HZ3  LYS  15           HZ3      LYS  15  37.427  29.758  29.829
   97    H    ASP  16           H        ASP  16  32.916  24.204  30.388
   98    HA   ASP  16           HA       ASP  16  30.314  25.054  30.550
   99    HB2  ASP  16           HB2      ASP  16  31.368  24.099  28.610
  100    HB3  ASP  16           HB3      ASP  16  31.299  22.417  29.493
  101    H    LEU  17           H        LEU  17  31.971  22.419  32.349
  102    HA   LEU  17           HA       LEU  17  29.363  21.403  33.299
  103    HB2  LEU  17           HB2      LEU  17  32.191  20.645  33.674
  104    HB3  LEU  17           HB3      LEU  17  30.927  19.866  34.718
  105    HG   LEU  17           HG       LEU  17  30.778  19.909  31.719
  106   HD11  LEU  17          HD11      LEU  17  31.801  17.297  32.844
  107   HD12  LEU  17          HD12      LEU  17  32.040  18.018  31.372
  108   HD13  LEU  17          HD13      LEU  17  32.904  18.675  32.799
  109   HD21  LEU  17          HD21      LEU  17  29.368  17.878  32.165
  110   HD22  LEU  17          HD22      LEU  17  29.565  18.242  33.893
  111   HD23  LEU  17          HD23      LEU  17  28.677  19.384  32.977
  112    H    LYS  18           H        LYS  18  31.588  23.874  34.557
  113    HA   LYS  18           HA       LYS  18  29.898  24.111  36.954
  114    HB2  LYS  18           HB2      LYS  18  31.751  26.017  35.362
  115    HB3  LYS  18           HB3      LYS  18  30.935  26.471  36.839
  116    HG2  LYS  18           HG2      LYS  18  32.916  26.233  37.706
  117    HG3  LYS  18           HG3      LYS  18  32.061  24.854  38.232
  118    HD2  LYS  18           HD2      LYS  18  33.187  23.488  36.401
  119    HD3  LYS  18           HD3      LYS  18  34.179  24.928  35.999
  120    HE2  LYS  18           HE2      LYS  18  34.102  23.351  38.737
  121    HE3  LYS  18           HE3      LYS  18  35.431  23.295  37.534
  122    HZ1  LYS  18           HZ1      LYS  18  34.610  25.395  39.454
  123    HZ2  LYS  18           HZ2      LYS  18  36.071  24.661  39.173
  124    HZ3  LYS  18           HZ3      LYS  18  35.646  25.745  38.266
  125    H    GLU  19           H        GLU  19  29.447  24.882  33.584
  126    HA   GLU  19           HA       GLU  19  27.246  26.691  34.238
  127    HB2  GLU  19           HB2      GLU  19  28.589  26.576  31.919
  128    HB3  GLU  19           HB3      GLU  19  27.790  25.041  31.733
  129    HG2  GLU  19           HG2      GLU  19  25.664  26.093  32.195
  130    HG3  GLU  19           HG3      GLU  19  26.410  27.680  32.353
  131    H    LYS  20           H        LYS  20  27.637  23.356  33.457
  132    HA   LYS  20           HA       LYS  20  24.862  22.721  33.574
  133    HB2  LYS  20           HB2      LYS  20  27.160  20.787  33.816
  134    HB3  LYS  20           HB3      LYS  20  25.596  20.188  33.642
  135    HG2  LYS  20           HG2      LYS  20  27.083  21.805  31.523
  136    HG3  LYS  20           HG3      LYS  20  26.727  20.108  31.572
  137    HD2  LYS  20           HD2      LYS  20  24.239  20.561  31.437
  138    HD3  LYS  20           HD3      LYS  20  24.585  22.255  31.342
  139    HE2  LYS  20           HE2      LYS  20  25.422  20.173  29.202
  140    HE3  LYS  20           HE3      LYS  20  24.213  21.521  29.190
  141    HZ1  LYS  20           HZ1      LYS  20  25.914  23.107  29.197
  142    HZ2  LYS  20           HZ2      LYS  20  27.105  22.007  29.367
  143    HZ3  LYS  20           HZ3      LYS  20  26.356  22.074  27.976
  144    H    LYS  21           H        LYS  21  26.993  22.802  36.144
  145    HA   LYS  21           HA       LYS  21  25.252  21.423  38.072
  146    HB2  LYS  21           HB2      LYS  21  28.024  22.774  38.356
  147    HB3  LYS  21           HB3      LYS  21  27.200  22.214  39.697
  148    HG2  LYS  21           HG2      LYS  21  27.104  19.924  38.734
  149    HG3  LYS  21           HG3      LYS  21  28.004  20.451  37.324
  150    HD2  LYS  21           HD2      LYS  21  29.952  21.043  38.673
  151    HD3  LYS  21           HD3      LYS  21  28.933  20.651  40.143
  152    HE2  LYS  21           HE2      LYS  21  29.746  18.753  37.960
  153    HE3  LYS  21           HE3      LYS  21  30.600  18.958  39.467
  154    HZ1  LYS  21           HZ1      LYS  21  29.100  17.059  39.715
  155    HZ2  LYS  21           HZ2      LYS  21  28.443  18.188  40.588
  156    HZ3  LYS  21           HZ3      LYS  21  27.775  17.876  39.156
  157    H    GLU  22           H        GLU  22  25.679  24.618  36.961
  158    HA   GLU  22           HA       GLU  22  25.008  25.800  39.612
  159    HB2  GLU  22           HB2      GLU  22  27.009  26.706  38.433
  160    HB3  GLU  22           HB3      GLU  22  25.967  27.241  37.127
  161    HG2  GLU  22           HG2      GLU  22  24.698  28.608  38.693
  162    HG3  GLU  22           HG3      GLU  22  25.542  28.133  40.141
  163    H    VAL  23           H        VAL  23  24.276  25.844  36.136
  164    HA   VAL  23           HA       VAL  23  21.537  26.906  35.987
  165    HB   VAL  23           HB       VAL  23  23.160  26.147  34.068
  166   HG11  VAL  23          HG11      VAL  23  23.359  23.847  34.769
  167   HG12  VAL  23          HG12      VAL  23  21.719  23.493  34.423
  168   HG13  VAL  23          HG13      VAL  23  22.881  24.173  33.082
  169   HG21  VAL  23          HG21      VAL  23  21.359  26.130  32.619
  170   HG22  VAL  23          HG22      VAL  23  20.336  25.395  33.868
  171   HG23  VAL  23          HG23      VAL  23  20.852  27.167  33.884
  172    H    VAL  24           H        VAL  24  22.913  23.835  36.837
  173    HA   VAL  24           HA       VAL  24  20.231  22.709  37.047
  174    HB   VAL  24           HB       VAL  24  22.355  21.306  36.725
  175   HG11  VAL  24          HG11      VAL  24  22.755  19.601  38.339
  176   HG12  VAL  24          HG12      VAL  24  23.125  21.202  38.948
  177   HG13  VAL  24          HG13      VAL  24  21.656  20.330  39.500
  178   HG21  VAL  24          HG21      VAL  24  19.968  19.852  37.953
  179   HG22  VAL  24          HG22      VAL  24  19.982  20.552  36.318
  180   HG23  VAL  24          HG23      VAL  24  21.175  19.340  36.683
  181    H    GLU  25           H        GLU  25  22.394  23.790  39.565
  182    HA   GLU  25           HA       GLU  25  20.755  23.336  41.929
  183    HB2  GLU  25           HB2      GLU  25  23.151  24.106  42.098
  184    HB3  GLU  25           HB3      GLU  25  22.738  25.451  41.015
  185    HG2  GLU  25           HG2      GLU  25  21.479  26.605  42.557
  186    HG3  GLU  25           HG3      GLU  25  21.466  25.197  43.662
  187    H    GLU  26           H        GLU  26  21.053  25.920  39.638
  188    HA   GLU  26           HA       GLU  26  18.649  27.567  40.412
  189    HB2  GLU  26           HB2      GLU  26  20.687  27.892  38.287
  190    HB3  GLU  26           HB3      GLU  26  19.032  27.717  37.503
  191    HG2  GLU  26           HG2      GLU  26  18.277  29.425  39.096
  192    HG3  GLU  26           HG3      GLU  26  19.931  29.748  39.508
  193    H    ALA  27           H        ALA  27  18.824  24.950  38.122
  194    HA   ALA  27           HA       ALA  27  16.055  25.048  37.581
  195    HB1  ALA  27           HB1      ALA  27  17.621  24.000  36.170
  196    HB2  ALA  27           HB2      ALA  27  17.768  22.621  37.273
  197    HB3  ALA  27           HB3      ALA  27  16.224  22.872  36.461
  198    H    GLU  28           H        GLU  28  17.559  23.983  40.523
  199    HA   GLU  28           HA       GLU  28  15.414  22.218  41.374
  200    HB2  GLU  28           HB2      GLU  28  17.809  21.856  41.980
  201    HB3  GLU  28           HB3      GLU  28  17.562  23.345  42.921
  202    HG2  GLU  28           HG2      GLU  28  16.257  22.196  44.584
  203    HG3  GLU  28           HG3      GLU  28  15.603  21.174  43.366
  204    H    ASN  29           H        ASN  29  16.054  25.599  41.204
  205    HA   ASN  29           HA       ASN  29  14.758  26.747  43.600
  206    HB2  ASN  29           HB2      ASN  29  16.498  27.891  41.993
  207    HB3  ASN  29           HB3      ASN  29  15.139  28.052  40.881
  208   HD21  ASN  29          HD22      ASN  29  12.968  29.182  41.998
  209   HD22  ASN  29          HD21      ASN  29  13.459  30.417  43.139
  Start of MODEL   10
    1    H1   ACE   1          HH32      ACE   1  35.600  12.317  16.364
    2    H2   ACE   1          HH33      ACE   1  34.772  11.660  15.061
    3    H3   ACE   1          HH31      ACE   1  36.046  12.850  14.714
    4    H    SER   2           H        SER   2  33.206  12.703  16.912
    5    HA   SER   2           HA       SER   2  31.721  14.746  15.835
    6    HB2  SER   2           HB2      SER   2  31.732  13.940  18.716
    7    HB3  SER   2           HB3      SER   2  30.391  14.694  17.960
    8    HG   SER   2           HG       SER   2  29.994  12.459  17.926
    9    H    ASP   3           H        ASP   3  34.216  14.988  18.411
   10    HA   ASP   3           HA       ASP   3  33.512  17.609  19.109
   11    HB2  ASP   3           HB2      ASP   3  34.695  15.633  20.485
   12    HB3  ASP   3           HB3      ASP   3  36.174  16.275  19.846
   13    H    ALA   4           H        ALA   4  35.373  16.521  16.515
   14    HA   ALA   4           HA       ALA   4  37.257  18.741  16.185
   15    HB1  ALA   4           HB1      ALA   4  37.804  16.416  15.498
   16    HB2  ALA   4           HB2      ALA   4  36.528  16.625  14.227
   17    HB3  ALA   4           HB3      ALA   4  37.992  17.628  14.242
   18    H    ALA   5           H        ALA   5  33.929  17.947  15.427
   19    HA   ALA   5           HA       ALA   5  33.692  20.519  13.962
   20    HB1  ALA   5           HB1      ALA   5  32.304  18.695  13.047
   21    HB2  ALA   5           HB2      ALA   5  31.786  18.250  14.708
   22    HB3  ALA   5           HB3      ALA   5  31.221  19.759  13.941
   23    H    VAL   6           H        VAL   6  34.258  20.125  17.236
   24    HA   VAL   6           HA       VAL   6  32.400  22.375  17.898
   25    HB   VAL   6           HB       VAL   6  33.121  20.145  19.855
   26   HG11  VAL   6          HG11      VAL   6  32.431  22.113  21.043
   27   HG12  VAL   6          HG12      VAL   6  31.033  22.327  19.793
   28   HG13  VAL   6          HG13      VAL   6  31.183  21.101  21.077
   29   HG21  VAL   6          HG21      VAL   6  30.564  20.555  18.163
   30   HG22  VAL   6          HG22      VAL   6  31.578  19.164  17.927
   31   HG23  VAL   6          HG23      VAL   6  30.738  19.499  19.487
   32    H    ASP   7           H        ASP   7  35.502  21.766  17.179
   33    HA   ASP   7           HA       ASP   7  37.531  22.455  17.614
   34    HB2  ASP   7           HB2      ASP   7  36.341  24.474  17.376
   35    HB3  ASP   7           HB3      ASP   7  36.282  24.821  19.071
   36    H    THR   8           H        THR   8  37.229  20.449  18.874
   37    HA   THR   8           HA       THR   8  37.163  19.080  20.859
   38    HB   THR   8           HB       THR   8  39.856  20.523  21.276
   39    HG1  THR   8           HG1      THR   8  39.712  19.882  19.165
   40   HG21  THR   8          HG21      THR   8  39.262  18.873  23.042
   41   HG22  THR   8          HG22      THR   8  39.190  17.552  21.799
   42   HG23  THR   8          HG23      THR   8  40.651  18.446  22.065
   43    H    SER   9           H        SER   9  35.339  20.124  21.725
   44    HA   SER   9           HA       SER   9  35.622  21.890  23.947
   45    HB2  SER   9           HB2      SER   9  33.333  21.284  24.515
   46    HB3  SER   9           HB3      SER   9  33.467  21.271  22.728
   47    HG   SER   9           HG       SER   9  33.759  18.955  22.847
   48    H    SER  10           H        SER  10  36.607  18.584  23.643
   49    HA   SER  10           HA       SER  10  36.336  17.694  26.345
   50    HB2  SER  10           HB2      SER  10  38.388  16.817  24.107
   51    HB3  SER  10           HB3      SER  10  37.900  15.923  25.556
   52    HG   SER  10           HG       SER  10  36.482  16.717  23.411
   53    H    GLU  11           H        GLU  11  38.405  20.195  25.104
   54    HA   GLU  11           HA       GLU  11  40.260  20.060  27.491
   55    HB2  GLU  11           HB2      GLU  11  40.143  22.251  25.436
   56    HB3  GLU  11           HB3      GLU  11  41.231  22.030  26.769
   57    HG2  GLU  11           HG2      GLU  11  41.949  19.753  25.916
   58    HG3  GLU  11           HG3      GLU  11  41.326  20.241  24.431
   59    H    ILE  12           H        ILE  12  37.750  22.189  26.478
   60    HA   ILE  12           HA       ILE  12  38.065  23.609  28.997
   61    HB   ILE  12           HB       ILE  12  36.451  25.188  28.112
   62   HG12  ILE  12          HG12      ILE  12  36.491  23.539  25.497
   63   HG13  ILE  12          HG13      ILE  12  35.232  23.347  26.613
   64   HG21  ILE  12          HG21      ILE  12  38.951  25.322  27.544
   65   HG22  ILE  12          HG22      ILE  12  38.604  24.782  26.006
   66   HG23  ILE  12          HG23      ILE  12  37.837  26.311  26.510
   67   HD11  ILE  12          HD11      ILE  12  34.690  24.961  24.774
   68   HD12  ILE  12          HD12      ILE  12  34.450  25.646  26.444
   69   HD13  ILE  12          HD13      ILE  12  35.738  26.152  25.471
   70    H    THR  13           H        THR  13  36.136  21.089  27.987
   71    HA   THR  13           HA       THR  13  33.620  21.598  28.912
   72    HB   THR  13           HB       THR  13  34.121  19.613  27.790
   73    HG1  THR  13           HG1      THR  13  32.626  19.601  29.837
   74   HG21  THR  13          HG21      THR  13  35.843  19.238  30.122
   75   HG22  THR  13          HG22      THR  13  35.376  17.769  29.382
   76   HG23  THR  13          HG23      THR  13  36.413  19.041  28.499
   77    H    THR  14           H        THR  14  36.077  21.294  31.297
   78    HA   THR  14           HA       THR  14  34.044  20.854  33.288
   79    HB   THR  14           HB       THR  14  36.815  22.221  33.746
   80    HG1  THR  14           HG1      THR  14  37.535  20.593  32.954
   81   HG21  THR  14          HG21      THR  14  35.080  22.051  35.607
   82   HG22  THR  14          HG22      THR  14  35.153  20.357  35.493
   83   HG23  THR  14          HG23      THR  14  36.636  21.127  35.993
   84    H    LYS  15           H        LYS  15  35.325  23.604  31.768
   85    HA   LYS  15           HA       LYS  15  34.072  25.513  33.464
   86    HB2  LYS  15           HB2      LYS  15  34.807  25.991  30.580
   87    HB3  LYS  15           HB3      LYS  15  34.459  27.164  31.961
   88    HG2  LYS  15           HG2      LYS  15  36.442  26.456  33.107
   89    HG3  LYS  15           HG3      LYS  15  36.901  25.363  31.823
   90    HD2  LYS  15           HD2      LYS  15  38.118  27.641  31.613
   91    HD3  LYS  15           HD3      LYS  15  37.183  27.176  30.219
   92    HE2  LYS  15           HE2      LYS  15  35.516  28.746  30.668
   93    HE3  LYS  15           HE3      LYS  15  35.899  28.847  32.372
   94    HZ1  LYS  15           HZ1      LYS  15  38.000  29.835  32.046
   95    HZ2  LYS  15           HZ2      LYS  15  37.861  29.857  30.476
   96    HZ3  LYS  15           HZ3      LYS  15  36.849  30.750  31.442
   97    H    ASP  16           H        ASP  16  32.989  24.111  30.404
   98    HA   ASP  16           HA       ASP  16  30.379  25.213  30.665
   99    HB2  ASP  16           HB2      ASP  16  31.624  24.150  28.616
  100    HB3  ASP  16           HB3      ASP  16  31.331  22.592  29.370
  101    H    LEU  17           H        LEU  17  31.818  22.452  32.353
  102    HA   LEU  17           HA       LEU  17  29.010  21.360  32.844
  103    HB2  LEU  17           HB2      LEU  17  31.851  20.383  33.573
  104    HB3  LEU  17           HB3      LEU  17  30.478  19.846  34.395
  105    HG   LEU  17           HG       LEU  17  30.897  19.874  31.327
  106   HD11  LEU  17          HD11      LEU  17  32.522  18.662  32.273
  107   HD12  LEU  17          HD12      LEU  17  31.285  17.678  33.301
  108   HD13  LEU  17          HD13      LEU  17  31.585  17.561  31.497
  109   HD21  LEU  17          HD21      LEU  17  29.167  18.067  31.318
  110   HD22  LEU  17          HD22      LEU  17  28.941  18.241  33.104
  111   HD23  LEU  17          HD23      LEU  17  28.452  19.568  31.966
  112    H    LYS  18           H        LYS  18  31.477  23.516  34.355
  113    HA   LYS  18           HA       LYS  18  29.983  23.605  36.803
  114    HB2  LYS  18           HB2      LYS  18  32.128  25.312  35.533
  115    HB3  LYS  18           HB3      LYS  18  31.045  26.196  36.545
  116    HG2  LYS  18           HG2      LYS  18  32.882  25.860  37.826
  117    HG3  LYS  18           HG3      LYS  18  31.922  24.442  38.379
  118    HD2  LYS  18           HD2      LYS  18  33.052  23.005  36.770
  119    HD3  LYS  18           HD3      LYS  18  34.175  24.269  36.400
  120    HE2  LYS  18           HE2      LYS  18  33.805  22.787  39.054
  121    HE3  LYS  18           HE3      LYS  18  35.245  22.948  38.015
  122    HZ1  LYS  18           HZ1      LYS  18  35.445  24.372  39.989
  123    HZ2  LYS  18           HZ2      LYS  18  35.356  25.292  38.773
  124    HZ3  LYS  18           HZ3      LYS  18  34.044  25.117  39.662
  125    H    GLU  19           H        GLU  19  29.569  25.022  33.600
  126    HA   GLU  19           HA       GLU  19  27.485  26.702  34.597
  127    HB2  GLU  19           HB2      GLU  19  28.652  26.234  32.100
  128    HB3  GLU  19           HB3      GLU  19  27.050  25.396  31.905
  129    HG2  GLU  19           HG2      GLU  19  26.051  27.598  32.690
  130    HG3  GLU  19           HG3      GLU  19  27.658  28.218  32.837
  131    H    LYS  20           H        LYS  20  27.447  23.404  33.173
  132    HA   LYS  20           HA       LYS  20  24.671  22.966  33.501
  133    HB2  LYS  20           HB2      LYS  20  26.879  20.723  33.602
  134    HB3  LYS  20           HB3      LYS  20  25.130  20.573  33.265
  135    HG2  LYS  20           HG2      LYS  20  27.100  22.132  31.541
  136    HG3  LYS  20           HG3      LYS  20  26.435  20.418  31.369
  137    HD2  LYS  20           HD2      LYS  20  24.149  21.521  31.622
  138    HD3  LYS  20           HD3      LYS  20  24.891  23.052  31.215
  139    HE2  LYS  20           HE2      LYS  20  24.639  20.567  29.646
  140    HE3  LYS  20           HE3      LYS  20  23.878  22.005  29.286
  141    HZ1  LYS  20           HZ1      LYS  20  26.307  22.984  29.014
  142    HZ2  LYS  20           HZ2      LYS  20  26.805  21.510  29.112
  143    HZ3  LYS  20           HZ3      LYS  20  25.842  21.959  27.853
  144    H    LYS  21           H        LYS  21  26.816  23.233  36.011
  145    HA   LYS  21           HA       LYS  21  25.280  21.767  38.036
  146    HB2  LYS  21           HB2      LYS  21  27.935  22.920  38.089
  147    HB3  LYS  21           HB3      LYS  21  27.190  22.405  39.555
  148    HG2  LYS  21           HG2      LYS  21  27.988  20.571  37.221
  149    HG3  LYS  21           HG3      LYS  21  28.586  20.577  38.817
  150    HD2  LYS  21           HD2      LYS  21  26.356  19.878  39.731
  151    HD3  LYS  21           HD3      LYS  21  25.821  19.611  38.136
  152    HE2  LYS  21           HE2      LYS  21  27.725  18.053  37.773
  153    HE3  LYS  21           HE3      LYS  21  28.361  18.593  39.374
  154    HZ1  LYS  21           HZ1      LYS  21  26.645  17.560  40.485
  155    HZ2  LYS  21           HZ2      LYS  21  25.655  17.283  39.148
  156    HZ3  LYS  21           HZ3      LYS  21  27.058  16.461  39.417
  157    H    GLU  22           H        GLU  22  25.752  24.829  36.885
  158    HA   GLU  22           HA       GLU  22  24.979  26.550  39.273
  159    HB2  GLU  22           HB2      GLU  22  26.848  27.184  37.466
  160    HB3  GLU  22           HB3      GLU  22  25.402  27.963  36.780
  161    HG2  GLU  22           HG2      GLU  22  25.050  29.054  38.956
  162    HG3  GLU  22           HG3      GLU  22  26.587  28.359  39.526
  163    H    VAL  23           H        VAL  23  24.115  25.806  35.787
  164    HA   VAL  23           HA       VAL  23  21.402  26.981  35.817
  165    HB   VAL  23           HB       VAL  23  22.904  26.095  33.898
  166   HG11  VAL  23          HG11      VAL  23  23.295  23.967  34.521
  167   HG12  VAL  23          HG12      VAL  23  21.529  23.508  34.157
  168   HG13  VAL  23          HG13      VAL  23  22.574  24.194  32.939
  169   HG21  VAL  23          HG21      VAL  23  20.508  27.069  33.719
  170   HG22  VAL  23          HG22      VAL  23  20.985  25.716  32.524
  171   HG23  VAL  23          HG23      VAL  23  20.011  25.441  34.067
  172    H    VAL  24           H        VAL  24  22.804  23.786  36.509
  173    HA   VAL  24           HA       VAL  24  20.047  22.784  37.145
  174    HB   VAL  24           HB       VAL  24  21.979  21.227  36.205
  175   HG11  VAL  24          HG11      VAL  24  23.408  20.329  37.493
  176   HG12  VAL  24          HG12      VAL  24  23.045  21.691  38.603
  177   HG13  VAL  24          HG13      VAL  24  22.254  20.064  38.860
  178   HG21  VAL  24          HG21      VAL  24  20.717  19.280  37.039
  179   HG22  VAL  24          HG22      VAL  24  19.756  20.458  38.061
  180   HG23  VAL  24          HG23      VAL  24  19.747  20.500  36.304
  181    H    GLU  25           H        GLU  25  22.421  24.356  39.190
  182    HA   GLU  25           HA       GLU  25  20.881  23.742  41.638
  183    HB2  GLU  25           HB2      GLU  25  23.230  24.152  41.769
  184    HB3  GLU  25           HB3      GLU  25  23.044  25.753  41.066
  185    HG2  GLU  25           HG2      GLU  25  21.703  26.572  42.893
  186    HG3  GLU  25           HG3      GLU  25  21.625  24.897  43.558
  187    H    GLU  26           H        GLU  26  20.619  26.272  39.145
  188    HA   GLU  26           HA       GLU  26  18.529  27.693  40.558
  189    HB2  GLU  26           HB2      GLU  26  20.177  28.862  39.124
  190    HB3  GLU  26           HB3      GLU  26  19.786  27.830  37.798
  191    HG2  GLU  26           HG2      GLU  26  17.436  28.993  37.786
  192    HG3  GLU  26           HG3      GLU  26  18.020  29.944  39.071
  193    H    ALA  27           H        ALA  27  18.641  24.961  38.434
  194    HA   ALA  27           HA       ALA  27  15.853  24.929  37.671
  195    HB1  ALA  27           HB1      ALA  27  17.751  23.931  36.386
  196    HB2  ALA  27           HB2      ALA  27  17.818  22.654  37.578
  197    HB3  ALA  27           HB3      ALA  27  16.307  22.998  36.562
  198    H    GLU  28           H        GLU  28  17.662  23.539  40.371
  199    HA   GLU  28           HA       GLU  28  15.402  21.832  41.314
  200    HB2  GLU  28           HB2      GLU  28  17.871  21.338  41.670
  201    HB3  GLU  28           HB3      GLU  28  17.979  22.780  42.689
  202    HG2  GLU  28           HG2      GLU  28  16.604  21.763  44.394
  203    HG3  GLU  28           HG3      GLU  28  16.275  20.331  43.476
  204    H    ASN  29           H        ASN  29  16.348  25.056  41.505
  205    HA   ASN  29           HA       ASN  29  15.622  25.908  44.121
  206    HB2  ASN  29           HB2      ASN  29  17.217  26.943  42.724
  207    HB3  ASN  29           HB3      ASN  29  16.143  27.609  41.678
  208   HD21  ASN  29          HD22      ASN  29  17.646  29.391  42.902
  209   HD22  ASN  29          HD21      ASN  29  17.147  29.979  44.430
  Start of MODEL   11
    1    H1   ACE   1          HH32      ACE   1  38.976  12.809  15.639
    2    H2   ACE   1          HH33      ACE   1  37.604  12.042  16.375
    3    H3   ACE   1          HH31      ACE   1  37.534  12.068  14.660
    4    H    SER   2           H        SER   2  36.227  13.717  17.380
    5    HA   SER   2           HA       SER   2  35.198  15.465  15.306
    6    HB2  SER   2           HB2      SER   2  33.919  14.324  17.809
    7    HB3  SER   2           HB3      SER   2  33.081  15.534  16.886
    8    HG   SER   2           HG       SER   2  32.608  13.395  16.264
    9    H    ASP   3           H        ASP   3  37.102  15.725  18.152
   10    HA   ASP   3           HA       ASP   3  35.922  17.979  19.383
   11    HB2  ASP   3           HB2      ASP   3  37.384  16.183  20.271
   12    HB3  ASP   3           HB3      ASP   3  38.714  17.239  19.737
   13    H    ALA   4           H        ALA   4  37.758  18.098  16.360
   14    HA   ALA   4           HA       ALA   4  38.539  20.876  17.071
   15    HB1  ALA   4           HB1      ALA   4  40.152  19.370  15.666
   16    HB2  ALA   4           HB2      ALA   4  38.855  19.418  14.410
   17    HB3  ALA   4           HB3      ALA   4  39.707  20.865  14.850
   18    H    ALA   5           H        ALA   5  36.023  19.114  15.170
   19    HA   ALA   5           HA       ALA   5  34.836  21.509  14.115
   20    HB1  ALA   5           HB1      ALA   5  32.876  20.053  13.843
   21    HB2  ALA   5           HB2      ALA   5  34.335  19.154  13.379
   22    HB3  ALA   5           HB3      ALA   5  33.461  18.848  14.942
   23    H    VAL   6           H        VAL   6  34.518  19.746  17.221
   24    HA   VAL   6           HA       VAL   6  32.664  21.722  18.464
   25    HB   VAL   6           HB       VAL   6  34.229  19.532  19.771
   26   HG11  VAL   6          HG11      VAL   6  31.238  20.230  20.216
   27   HG12  VAL   6          HG12      VAL   6  32.113  19.136  21.122
   28   HG13  VAL   6          HG13      VAL   6  32.644  20.794  21.323
   29   HG21  VAL   6          HG21      VAL   6  32.085  18.098  19.183
   30   HG22  VAL   6          HG22      VAL   6  32.011  19.251  17.736
   31   HG23  VAL   6          HG23      VAL   6  33.267  18.171  18.058
   32    H    ASP   7           H        ASP   7  35.299  22.563  17.516
   33    HA   ASP   7           HA       ASP   7  37.075  23.792  17.866
   34    HB2  ASP   7           HB2      ASP   7  34.965  25.101  17.871
   35    HB3  ASP   7           HB3      ASP   7  35.258  25.320  19.599
   36    H    THR   8           H        THR   8  37.582  21.796  19.299
   37    HA   THR   8           HA       THR   8  38.839  20.774  20.859
   38    HB   THR   8           HB       THR   8  40.119  23.428  21.598
   39    HG1  THR   8           HG1      THR   8  40.228  23.273  19.361
   40   HG21  THR   8          HG21      THR   8  41.375  20.738  21.118
   41   HG22  THR   8          HG22      THR   8  42.168  21.977  21.982
   42   HG23  THR   8          HG23      THR   8  40.824  21.146  22.752
   43    H    SER   9           H        SER   9  36.579  20.668  21.727
   44    HA   SER   9           HA       SER   9  35.751  22.219  23.920
   45    HB2  SER   9           HB2      SER   9  33.965  20.800  24.352
   46    HB3  SER   9           HB3      SER   9  34.103  21.145  22.707
   47    HG   SER   9           HG       SER   9  35.233  18.999  22.649
   48    H    SER  10           H        SER  10  37.724  19.278  23.824
   49    HA   SER  10           HA       SER  10  37.633  18.608  26.518
   50    HB2  SER  10           HB2      SER  10  40.034  18.181  24.677
   51    HB3  SER  10           HB3      SER  10  39.663  17.330  26.265
   52    HG   SER  10           HG       SER  10  38.313  17.203  23.813
   53    H    GLU  11           H        GLU  11  39.400  21.406  25.252
   54    HA   GLU  11           HA       GLU  11  40.879  22.034  27.692
   55    HB2  GLU  11           HB2      GLU  11  39.854  23.723  25.383
   56    HB3  GLU  11           HB3      GLU  11  40.874  24.261  26.596
   57    HG2  GLU  11           HG2      GLU  11  42.662  22.507  25.834
   58    HG3  GLU  11           HG3      GLU  11  41.650  22.232  24.408
   59    H    ILE  12           H        ILE  12  37.698  23.047  26.437
   60    HA   ILE  12           HA       ILE  12  37.429  24.577  28.844
   61    HB   ILE  12           HB       ILE  12  35.252  25.308  27.867
   62   HG12  ILE  12          HG12      ILE  12  35.907  23.749  25.399
   63   HG13  ILE  12          HG13      ILE  12  34.953  23.074  26.656
   64   HG21  ILE  12          HG21      ILE  12  36.076  26.873  26.297
   65   HG22  ILE  12          HG22      ILE  12  37.299  26.596  27.653
   66   HG23  ILE  12          HG23      ILE  12  37.569  26.039  26.004
   67   HD11  ILE  12          HD11      ILE  12  34.304  25.489  25.115
   68   HD12  ILE  12          HD12      ILE  12  33.372  24.018  25.046
   69   HD13  ILE  12          HD13      ILE  12  33.425  25.036  26.575
   70    H    THR  13           H        THR  13  36.331  21.585  28.020
   71    HA   THR  13           HA       THR  13  33.799  21.069  28.941
   72    HB   THR  13           HB       THR  13  34.732  19.327  28.166
   73    HG1  THR  13           HG1      THR  13  34.297  17.817  29.510
   74   HG21  THR  13          HG21      THR  13  36.748  18.128  29.208
   75   HG22  THR  13          HG22      THR  13  37.179  19.721  28.683
   76   HG23  THR  13          HG23      THR  13  36.785  19.507  30.407
   77    H    THR  14           H        THR  14  36.418  21.526  31.486
   78    HA   THR  14           HA       THR  14  34.842  21.000  33.697
   79    HB   THR  14           HB       THR  14  37.068  22.874  33.269
   80    HG1  THR  14           HG1      THR  14  37.741  20.817  33.250
   81   HG21  THR  14          HG21      THR  14  36.301  23.926  35.086
   82   HG22  THR  14          HG22      THR  14  35.332  22.609  35.584
   83   HG23  THR  14          HG23      THR  14  37.016  22.552  36.047
   84    H    LYS  15           H        LYS  15  35.291  24.176  31.758
   85    HA   LYS  15           HA       LYS  15  33.671  25.763  33.439
   86    HB2  LYS  15           HB2      LYS  15  34.425  25.874  30.519
   87    HB3  LYS  15           HB3      LYS  15  33.593  27.215  31.433
   88    HG2  LYS  15           HG2      LYS  15  35.715  27.628  32.601
   89    HG3  LYS  15           HG3      LYS  15  36.332  26.043  31.904
   90    HD2  LYS  15           HD2      LYS  15  35.912  27.271  29.562
   91    HD3  LYS  15           HD3      LYS  15  35.612  28.716  30.507
   92    HE2  LYS  15           HE2      LYS  15  37.685  28.645  31.661
   93    HE3  LYS  15           HE3      LYS  15  38.312  27.314  30.639
   94    HZ1  LYS  15           HZ1      LYS  15  37.695  29.133  28.832
   95    HZ2  LYS  15           HZ2      LYS  15  37.814  30.118  30.147
   96    HZ3  LYS  15           HZ3      LYS  15  39.092  29.336  29.612
   97    H    ASP  16           H        ASP  16  33.010  24.024  30.442
   98    HA   ASP  16           HA       ASP  16  30.196  24.533  30.449
   99    HB2  ASP  16           HB2      ASP  16  31.404  23.499  28.523
  100    HB3  ASP  16           HB3      ASP  16  31.616  22.064  29.528
  101    H    LEU  17           H        LEU  17  31.965  22.044  32.481
  102    HA   LEU  17           HA       LEU  17  29.347  21.012  33.264
  103    HB2  LEU  17           HB2      LEU  17  32.161  20.357  34.159
  104    HB3  LEU  17           HB3      LEU  17  30.677  19.968  35.022
  105    HG   LEU  17           HG       LEU  17  30.967  19.313  32.129
  106   HD11  LEU  17          HD11      LEU  17  31.737  17.572  34.567
  107   HD12  LEU  17          HD12      LEU  17  31.590  17.049  32.869
  108   HD13  LEU  17          HD13      LEU  17  32.850  18.267  33.307
  109   HD21  LEU  17          HD21      LEU  17  29.224  17.486  32.910
  110   HD22  LEU  17          HD22      LEU  17  29.258  18.178  34.503
  111   HD23  LEU  17          HD23      LEU  17  28.558  19.078  33.140
  112    H    LYS  18           H        LYS  18  31.244  23.636  34.375
  113    HA   LYS  18           HA       LYS  18  29.652  23.795  36.820
  114    HB2  LYS  18           HB2      LYS  18  31.784  25.575  35.765
  115    HB3  LYS  18           HB3      LYS  18  30.696  26.156  36.930
  116    HG2  LYS  18           HG2      LYS  18  32.320  25.484  38.144
  117    HG3  LYS  18           HG3      LYS  18  30.957  24.383  38.502
  118    HD2  LYS  18           HD2      LYS  18  31.877  22.536  37.398
  119    HD3  LYS  18           HD3      LYS  18  33.040  23.466  36.443
  120    HE2  LYS  18           HE2      LYS  18  34.133  22.188  37.942
  121    HE3  LYS  18           HE3      LYS  18  34.414  23.977  38.228
  122    HZ1  LYS  18           HZ1      LYS  18  34.065  22.228  40.130
  123    HZ2  LYS  18           HZ2      LYS  18  33.172  23.556  40.319
  124    HZ3  LYS  18           HZ3      LYS  18  32.576  22.148  39.658
  125    H    GLU  19           H        GLU  19  29.374  24.726  33.589
  126    HA   GLU  19           HA       GLU  19  27.278  26.706  33.824
  127    HB2  GLU  19           HB2      GLU  19  28.590  25.721  31.537
  128    HB3  GLU  19           HB3      GLU  19  27.367  24.481  31.706
  129    HG2  GLU  19           HG2      GLU  19  25.677  26.535  31.861
  130    HG3  GLU  19           HG3      GLU  19  27.051  27.440  31.360
  131    H    LYS  20           H        LYS  20  27.559  23.257  33.290
  132    HA   LYS  20           HA       LYS  20  24.772  22.705  33.302
  133    HB2  LYS  20           HB2      LYS  20  27.122  20.974  33.601
  134    HB3  LYS  20           HB3      LYS  20  25.491  20.366  33.451
  135    HG2  LYS  20           HG2      LYS  20  27.159  21.753  31.259
  136    HG3  LYS  20           HG3      LYS  20  26.412  20.155  31.248
  137    HD2  LYS  20           HD2      LYS  20  24.331  20.853  31.284
  138    HD3  LYS  20           HD3      LYS  20  24.736  22.632  31.082
  139    HE2  LYS  20           HE2      LYS  20  25.646  20.486  29.237
  140    HE3  LYS  20           HE3      LYS  20  24.358  21.500  28.803
  141    HZ1  LYS  20           HZ1      LYS  20  26.132  23.336  29.252
  142    HZ2  LYS  20           HZ2      LYS  20  27.226  22.208  29.216
  143    HZ3  LYS  20           HZ3      LYS  20  26.291  22.476  27.860
  144    H    LYS  21           H        LYS  21  26.678  23.023  36.064
  145    HA   LYS  21           HA       LYS  21  24.836  21.675  37.958
  146    HB2  LYS  21           HB2      LYS  21  27.640  22.722  38.329
  147    HB3  LYS  21           HB3      LYS  21  26.735  22.021  39.581
  148    HG2  LYS  21           HG2      LYS  21  26.578  19.779  38.585
  149    HG3  LYS  21           HG3      LYS  21  27.486  20.286  37.235
  150    HD2  LYS  21           HD2      LYS  21  29.399  20.896  38.788
  151    HD3  LYS  21           HD3      LYS  21  28.451  20.305  40.099
  152    HE2  LYS  21           HE2      LYS  21  28.918  18.553  37.619
  153    HE3  LYS  21           HE3      LYS  21  30.142  18.755  38.869
  154    HZ1  LYS  21           HZ1      LYS  21  27.373  17.815  39.347
  155    HZ2  LYS  21           HZ2      LYS  21  28.597  16.766  38.971
  156    HZ3  LYS  21           HZ3      LYS  21  28.650  17.635  40.348
  157    H    GLU  22           H        GLU  22  25.441  24.751  36.622
  158    HA   GLU  22           HA       GLU  22  24.878  26.128  39.256
  159    HB2  GLU  22           HB2      GLU  22  26.919  26.900  38.479
  160    HB3  GLU  22           HB3      GLU  22  26.187  27.364  36.845
  161    HG2  GLU  22           HG2      GLU  22  26.110  29.396  37.910
  162    HG3  GLU  22           HG3      GLU  22  24.609  28.804  38.381
  163    H    VAL  23           H        VAL  23  24.222  25.945  35.808
  164    HA   VAL  23           HA       VAL  23  21.671  27.184  35.485
  165    HB   VAL  23           HB       VAL  23  23.210  26.134  33.688
  166   HG11  VAL  23          HG11      VAL  23  23.286  23.859  34.672
  167   HG12  VAL  23          HG12      VAL  23  21.837  23.450  33.947
  168   HG13  VAL  23          HG13      VAL  23  23.178  24.007  32.911
  169   HG21  VAL  23          HG21      VAL  23  21.076  27.021  33.169
  170   HG22  VAL  23          HG22      VAL  23  21.442  25.576  32.152
  171   HG23  VAL  23          HG23      VAL  23  20.300  25.478  33.496
  172    H    VAL  24           H        VAL  24  22.666  24.056  36.614
  173    HA   VAL  24           HA       VAL  24  19.892  23.234  36.943
  174    HB   VAL  24           HB       VAL  24  22.070  21.870  36.158
  175   HG11  VAL  24          HG11      VAL  24  22.731  20.107  37.483
  176   HG12  VAL  24          HG12      VAL  24  22.948  21.668  38.369
  177   HG13  VAL  24          HG13      VAL  24  21.588  20.559  38.740
  178   HG21  VAL  24          HG21      VAL  24  19.439  20.733  37.027
  179   HG22  VAL  24          HG22      VAL  24  19.894  21.362  35.541
  180   HG23  VAL  24          HG23      VAL  24  20.627  19.784  36.216
  181    H    GLU  25           H        GLU  25  22.133  24.480  39.109
  182    HA   GLU  25           HA       GLU  25  20.770  23.581  41.626
  183    HB2  GLU  25           HB2      GLU  25  23.047  24.047  41.784
  184    HB3  GLU  25           HB3      GLU  25  22.909  25.725  41.301
  185    HG2  GLU  25           HG2      GLU  25  21.626  26.249  43.259
  186    HG3  GLU  25           HG3      GLU  25  21.410  24.532  43.666
  187    H    GLU  26           H        GLU  26  20.707  26.274  39.384
  188    HA   GLU  26           HA       GLU  26  18.598  27.835  40.710
  189    HB2  GLU  26           HB2      GLU  26  20.037  29.313  39.831
  190    HB3  GLU  26           HB3      GLU  26  20.336  28.412  38.402
  191    HG2  GLU  26           HG2      GLU  26  18.254  28.979  37.395
  192    HG3  GLU  26           HG3      GLU  26  17.756  29.743  39.033
  193    H    ALA  27           H        ALA  27  18.675  25.237  38.337
  194    HA   ALA  27           HA       ALA  27  15.771  25.354  37.957
  195    HB1  ALA  27           HB1      ALA  27  17.484  24.638  36.184
  196    HB2  ALA  27           HB2      ALA  27  17.758  23.186  37.248
  197    HB3  ALA  27           HB3      ALA  27  16.181  23.498  36.537
  198    H    GLU  28           H        GLU  28  17.656  23.611  40.124
  199    HA   GLU  28           HA       GLU  28  15.237  22.187  41.069
  200    HB2  GLU  28           HB2      GLU  28  18.163  21.862  42.075
  201    HB3  GLU  28           HB3      GLU  28  16.850  20.995  42.607
  202    HG2  GLU  28           HG2      GLU  28  17.581  20.747  39.635
  203    HG3  GLU  28           HG3      GLU  28  18.369  19.785  40.989
  204    H    ASN  29           H        ASN  29  16.741  24.938  41.892
  205    HA   ASN  29           HA       ASN  29  15.759  25.064  44.649
  206    HB2  ASN  29           HB2      ASN  29  16.613  27.205  42.592
  207    HB3  ASN  29           HB3      ASN  29  15.721  27.834  43.906
  208   HD21  ASN  29          HD22      ASN  29  18.847  26.540  43.191
  209   HD22  ASN  29          HD21      ASN  29  19.490  27.115  44.775
  Start of MODEL   12
    1    H1   ACE   1          HH32      ACE   1  43.045  17.666  14.969
    2    H2   ACE   1          HH33      ACE   1  42.980  19.136  14.141
    3    H3   ACE   1          HH31      ACE   1  42.877  19.245  15.889
    4    H    SER   2           H        SER   2  41.198  16.582  15.615
    5    HA   SER   2           HA       SER   2  38.788  17.308  14.215
    6    HB2  SER   2           HB2      SER   2  38.740  15.097  16.305
    7    HB3  SER   2           HB3      SER   2  37.711  15.426  15.163
    8    HG   SER   2           HG       SER   2  39.147  13.903  14.384
    9    H    ASP   3           H        ASP   3  39.934  18.225  17.275
   10    HA   ASP   3           HA       ASP   3  37.304  19.128  18.480
   11    HB2  ASP   3           HB2      ASP   3  38.647  17.779  19.778
   12    HB3  ASP   3           HB3      ASP   3  40.090  18.901  19.626
   13    H    ALA   4           H        ALA   4  39.677  20.245  16.457
   14    HA   ALA   4           HA       ALA   4  39.712  23.086  17.432
   15    HB1  ALA   4           HB1      ALA   4  40.803  21.797  14.857
   16    HB2  ALA   4           HB2      ALA   4  40.744  23.568  15.427
   17    HB3  ALA   4           HB3      ALA   4  41.644  22.158  16.271
   18    H    ALA   5           H        ALA   5  37.810  21.157  15.182
   19    HA   ALA   5           HA       ALA   5  36.358  23.318  13.923
   20    HB1  ALA   5           HB1      ALA   5  36.454  20.287  13.990
   21    HB2  ALA   5           HB2      ALA   5  34.913  21.071  13.552
   22    HB3  ALA   5           HB3      ALA   5  36.265  21.503  12.600
   23    H    VAL   6           H        VAL   6  36.395  21.888  16.874
   24    HA   VAL   6           HA       VAL   6  33.541  22.625  17.613
   25    HB   VAL   6           HB       VAL   6  35.270  21.007  19.554
   26   HG11  VAL   6          HG11      VAL   6  32.334  20.802  18.977
   27   HG12  VAL   6          HG12      VAL   6  33.252  20.061  20.269
   28   HG13  VAL   6          HG13      VAL   6  32.955  21.791  20.338
   29   HG21  VAL   6          HG21      VAL   6  33.916  20.078  17.018
   30   HG22  VAL   6          HG22      VAL   6  35.480  19.724  17.657
   31   HG23  VAL   6          HG23      VAL   6  34.149  19.002  18.500
   32    H    ASP   7           H        ASP   7  36.263  24.157  17.433
   33    HA   ASP   7           HA       ASP   7  37.069  25.935  17.985
   34    HB2  ASP   7           HB2      ASP   7  34.972  26.821  18.111
   35    HB3  ASP   7           HB3      ASP   7  34.854  26.611  19.854
   36    H    THR   8           H        THR   8  37.821  23.418  19.213
   37    HA   THR   8           HA       THR   8  39.339  22.625  20.694
   38    HB   THR   8           HB       THR   8  39.824  25.347  21.667
   39    HG1  THR   8           HG1      THR   8  40.417  25.293  19.456
   40   HG21  THR   8          HG21      THR   8  41.218  22.779  22.007
   41   HG22  THR   8          HG22      THR   8  42.175  24.378  21.835
   42   HG23  THR   8          HG23      THR   8  41.097  24.002  23.188
   43    H    SER   9           H        SER   9  36.621  22.275  21.329
   44    HA   SER   9           HA       SER   9  35.943  23.245  23.841
   45    HB2  SER   9           HB2      SER   9  34.271  21.498  23.934
   46    HB3  SER   9           HB3      SER   9  34.440  21.893  22.112
   47    HG   SER   9           HG       SER   9  35.799  20.091  21.901
   48    H    SER  10           H        SER  10  38.240  20.799  23.169
   49    HA   SER  10           HA       SER  10  38.249  19.408  25.676
   50    HB2  SER  10           HB2      SER  10  40.627  20.386  24.007
   51    HB3  SER  10           HB3      SER  10  40.780  19.232  25.301
   52    HG   SER  10           HG       SER  10  39.170  19.060  22.923
   53    H    GLU  11           H        GLU  11  39.148  22.646  25.077
   54    HA   GLU  11           HA       GLU  11  40.357  22.982  27.787
   55    HB2  GLU  11           HB2      GLU  11  39.910  24.919  25.517
   56    HB3  GLU  11           HB3      GLU  11  40.324  25.409  27.148
   57    HG2  GLU  11           HG2      GLU  11  42.321  23.703  26.935
   58    HG3  GLU  11           HG3      GLU  11  41.927  23.655  25.267
   59    H    ILE  12           H        ILE  12  37.355  23.823  26.276
   60    HA   ILE  12           HA       ILE  12  36.409  25.238  28.761
   61    HB   ILE  12           HB       ILE  12  34.607  26.048  27.631
   62   HG12  ILE  12          HG12      ILE  12  35.186  24.943  25.014
   63   HG13  ILE  12          HG13      ILE  12  34.612  23.764  26.149
   64   HG21  ILE  12          HG21      ILE  12  37.327  26.335  26.484
   65   HG22  ILE  12          HG22      ILE  12  35.994  27.282  25.647
   66   HG23  ILE  12          HG23      ILE  12  36.511  27.493  27.360
   67   HD11  ILE  12          HD11      ILE  12  32.675  25.130  26.577
   68   HD12  ILE  12          HD12      ILE  12  33.440  26.486  25.703
   69   HD13  ILE  12          HD13      ILE  12  32.823  24.949  24.832
   70    H    THR  13           H        THR  13  35.859  22.118  27.746
   71    HA   THR  13           HA       THR  13  33.404  21.435  28.677
   72    HB   THR  13           HB       THR  13  34.671  19.926  27.529
   73    HG1  THR  13           HG1      THR  13  33.219  19.033  29.022
   74   HG21  THR  13          HG21      THR  13  36.937  20.641  29.026
   75   HG22  THR  13          HG22      THR  13  36.468  19.115  29.689
   76   HG23  THR  13          HG23      THR  13  36.687  19.156  27.960
   77    H    THR  14           H        THR  14  36.340  21.772  30.942
   78    HA   THR  14           HA       THR  14  34.607  21.305  33.220
   79    HB   THR  14           HB       THR  14  37.258  22.999  33.228
   80    HG1  THR  14           HG1      THR  14  37.869  21.082  32.491
   81   HG21  THR  14          HG21      THR  14  37.317  21.915  35.545
   82   HG22  THR  14          HG22      THR  14  36.265  23.310  35.250
   83   HG23  THR  14          HG23      THR  14  35.570  21.713  35.299
   84    H    LYS  15           H        LYS  15  35.372  24.512  31.657
   85    HA   LYS  15           HA       LYS  15  33.836  26.101  33.414
   86    HB2  LYS  15           HB2      LYS  15  34.009  26.454  30.408
   87    HB3  LYS  15           HB3      LYS  15  33.884  27.741  31.628
   88    HG2  LYS  15           HG2      LYS  15  36.119  27.427  32.449
   89    HG3  LYS  15           HG3      LYS  15  36.474  26.223  31.194
   90    HD2  LYS  15           HD2      LYS  15  35.977  27.916  29.383
   91    HD3  LYS  15           HD3      LYS  15  35.393  28.953  30.549
   92    HE2  LYS  15           HE2      LYS  15  38.229  28.275  31.185
   93    HE3  LYS  15           HE3      LYS  15  38.112  28.572  29.504
   94    HZ1  LYS  15           HZ1      LYS  15  37.498  30.639  29.814
   95    HZ2  LYS  15           HZ2      LYS  15  36.970  30.493  31.369
   96    HZ3  LYS  15           HZ3      LYS  15  38.613  30.411  31.008
   97    H    ASP  16           H        ASP  16  32.910  24.178  30.632
   98    HA   ASP  16           HA       ASP  16  30.130  24.810  30.516
   99    HB2  ASP  16           HB2      ASP  16  31.367  23.728  28.598
  100    HB3  ASP  16           HB3      ASP  16  31.518  22.321  29.595
  101    H    LEU  17           H        LEU  17  31.968  22.472  32.487
  102    HA   LEU  17           HA       LEU  17  29.405  21.333  33.237
  103    HB2  LEU  17           HB2      LEU  17  32.245  20.368  33.340
  104    HB3  LEU  17           HB3      LEU  17  31.087  19.560  34.409
  105    HG   LEU  17           HG       LEU  17  30.678  20.007  31.434
  106   HD11  LEU  17          HD11      LEU  17  32.708  18.656  31.714
  107   HD12  LEU  17          HD12      LEU  17  31.839  17.482  32.835
  108   HD13  LEU  17          HD13      LEU  17  31.355  17.657  31.192
  109   HD21  LEU  17          HD21      LEU  17  29.250  17.876  31.849
  110   HD22  LEU  17          HD22      LEU  17  29.236  18.415  33.555
  111   HD23  LEU  17          HD23      LEU  17  28.653  19.502  32.288
  112    H    LYS  18           H        LYS  18  31.403  23.641  34.574
  113    HA   LYS  18           HA       LYS  18  29.936  23.694  37.153
  114    HB2  LYS  18           HB2      LYS  18  31.924  25.686  35.819
  115    HB3  LYS  18           HB3      LYS  18  30.883  26.160  37.081
  116    HG2  LYS  18           HG2      LYS  18  32.968  25.627  37.933
  117    HG3  LYS  18           HG3      LYS  18  31.924  24.264  38.539
  118    HD2  LYS  18           HD2      LYS  18  33.036  22.941  36.521
  119    HD3  LYS  18           HD3      LYS  18  33.999  24.376  36.226
  120    HE2  LYS  18           HE2      LYS  18  34.052  22.797  38.875
  121    HE3  LYS  18           HE3      LYS  18  35.108  22.808  37.560
  122    HZ1  LYS  18           HZ1      LYS  18  36.117  24.356  39.166
  123    HZ2  LYS  18           HZ2      LYS  18  35.507  25.197  37.890
  124    HZ3  LYS  18           HZ3      LYS  18  34.718  25.154  39.313
  125    H    GLU  19           H        GLU  19  29.471  24.790  33.808
  126    HA   GLU  19           HA       GLU  19  27.226  26.543  34.660
  127    HB2  GLU  19           HB2      GLU  19  28.548  26.669  32.401
  128    HB3  GLU  19           HB3      GLU  19  27.603  25.183  32.009
  129    HG2  GLU  19           HG2      GLU  19  25.541  26.537  32.408
  130    HG3  GLU  19           HG3      GLU  19  26.525  27.796  32.995
  131    H    LYS  20           H        LYS  20  27.488  23.252  33.468
  132    HA   LYS  20           HA       LYS  20  24.743  22.789  33.541
  133    HB2  LYS  20           HB2      LYS  20  27.177  21.069  33.577
  134    HB3  LYS  20           HB3      LYS  20  25.681  20.290  33.115
  135    HG2  LYS  20           HG2      LYS  20  26.733  22.528  31.465
  136    HG3  LYS  20           HG3      LYS  20  27.060  20.767  31.252
  137    HD2  LYS  20           HD2      LYS  20  24.474  20.702  31.269
  138    HD3  LYS  20           HD3      LYS  20  24.631  22.491  31.159
  139    HE2  LYS  20           HE2      LYS  20  25.640  20.528  29.083
  140    HE3  LYS  20           HE3      LYS  20  24.218  21.483  28.734
  141    HZ1  LYS  20           HZ1      LYS  20  25.991  22.231  27.538
  142    HZ2  LYS  20           HZ2      LYS  20  25.696  23.404  28.520
  143    HZ3  LYS  20           HZ3      LYS  20  26.951  22.357  28.820
  144    H    LYS  21           H        LYS  21  26.920  22.877  35.915
  145    HA   LYS  21           HA       LYS  21  25.453  21.307  38.017
  146    HB2  LYS  21           HB2      LYS  21  28.303  22.302  37.949
  147    HB3  LYS  21           HB3      LYS  21  27.523  21.494  39.372
  148    HG2  LYS  21           HG2      LYS  21  26.989  19.476  37.958
  149    HG3  LYS  21           HG3      LYS  21  27.810  20.243  36.642
  150    HD2  LYS  21           HD2      LYS  21  29.909  20.322  38.140
  151    HD3  LYS  21           HD3      LYS  21  28.849  19.376  39.299
  152    HE2  LYS  21           HE2      LYS  21  29.610  18.498  36.474
  153    HE3  LYS  21           HE3      LYS  21  30.377  17.914  37.996
  154    HZ1  LYS  21           HZ1      LYS  21  27.551  17.606  37.249
  155    HZ2  LYS  21           HZ2      LYS  21  28.627  16.381  37.306
  156    HZ3  LYS  21           HZ3      LYS  21  28.120  17.163  38.686
  157    H    GLU  22           H        GLU  22  25.530  24.352  36.827
  158    HA   GLU  22           HA       GLU  22  24.891  25.720  39.366
  159    HB2  GLU  22           HB2      GLU  22  26.675  27.042  38.490
  160    HB3  GLU  22           HB3      GLU  22  26.106  27.096  36.848
  161    HG2  GLU  22           HG2      GLU  22  24.321  28.567  37.406
  162    HG3  GLU  22           HG3      GLU  22  24.438  28.020  39.100
  163    H    VAL  23           H        VAL  23  24.004  25.591  35.947
  164    HA   VAL  23           HA       VAL  23  21.471  26.652  36.160
  165    HB   VAL  23           HB       VAL  23  22.985  25.992  34.056
  166   HG11  VAL  23          HG11      VAL  23  22.300  24.176  32.845
  167   HG12  VAL  23          HG12      VAL  23  23.130  23.520  34.287
  168   HG13  VAL  23          HG13      VAL  23  21.320  23.515  33.962
  169   HG21  VAL  23          HG21      VAL  23  20.831  27.179  33.998
  170   HG22  VAL  23          HG22      VAL  23  20.927  26.126  32.639
  171   HG23  VAL  23          HG23      VAL  23  19.878  25.685  34.108
  172    H    VAL  24           H        VAL  24  22.739  23.354  36.568
  173    HA   VAL  24           HA       VAL  24  20.021  22.265  36.817
  174    HB   VAL  24           HB       VAL  24  22.224  21.248  36.157
  175   HG11  VAL  24          HG11      VAL  24  23.406  19.872  37.651
  176   HG12  VAL  24          HG12      VAL  24  23.173  21.360  38.488
  177   HG13  VAL  24          HG13      VAL  24  22.112  19.967  38.892
  178   HG21  VAL  24          HG21      VAL  24  21.258  19.016  36.339
  179   HG22  VAL  24          HG22      VAL  24  19.936  19.673  37.377
  180   HG23  VAL  24          HG23      VAL  24  20.201  20.266  35.700
  181    H    GLU  25           H        GLU  25  22.146  23.589  39.048
  182    HA   GLU  25           HA       GLU  25  20.427  22.856  41.167
  183    HB2  GLU  25           HB2      GLU  25  22.950  24.538  41.366
  184    HB3  GLU  25           HB3      GLU  25  21.960  24.357  42.772
  185    HG2  GLU  25           HG2      GLU  25  23.160  22.072  41.233
  186    HG3  GLU  25           HG3      GLU  25  23.934  22.729  42.687
  187    H    GLU  26           H        GLU  26  20.644  25.494  38.947
  188    HA   GLU  26           HA       GLU  26  19.045  27.430  40.390
  189    HB2  GLU  26           HB2      GLU  26  20.094  27.318  37.685
  190    HB3  GLU  26           HB3      GLU  26  18.882  28.571  38.183
  191    HG2  GLU  26           HG2      GLU  26  21.538  28.149  39.522
  192    HG3  GLU  26           HG3      GLU  26  21.156  29.391  38.409
  193    H    ALA  27           H        ALA  27  18.524  24.825  38.042
  194    HA   ALA  27           HA       ALA  27  15.810  25.258  37.545
  195    HB1  ALA  27           HB1      ALA  27  17.224  22.589  37.796
  196    HB2  ALA  27           HB2      ALA  27  15.820  22.862  36.835
  197    HB3  ALA  27           HB3      ALA  27  17.324  23.553  36.243
  198    H    GLU  28           H        GLU  28  17.187  23.569  40.264
  199    HA   GLU  28           HA       GLU  28  14.531  23.099  41.517
  200    HB2  GLU  28           HB2      GLU  28  17.369  22.527  42.212
  201    HB3  GLU  28           HB3      GLU  28  16.027  22.106  43.335
  202    HG2  GLU  28           HG2      GLU  28  16.407  20.928  40.623
  203    HG3  GLU  28           HG3      GLU  28  16.375  20.190  42.220
  204    H    ASN  29           H        ASN  29  16.471  26.046  41.434
  205    HA   ASN  29           HA       ASN  29  16.133  26.900  44.152
  206    HB2  ASN  29           HB2      ASN  29  17.829  27.850  42.510
  207    HB3  ASN  29           HB3      ASN  29  16.433  28.462  41.504
  208   HD21  ASN  29          HD22      ASN  29  18.172  30.299  41.924
  209   HD22  ASN  29          HD21      ASN  29  17.835  31.297  43.282
  Start of MODEL   13
    1    H1   ACE   1          HH32      ACE   1  36.990  14.956  13.445
    2    H2   ACE   1          HH33      ACE   1  37.321  14.667  15.205
    3    H3   ACE   1          HH31      ACE   1  36.633  13.415  14.247
    4    H    SER   2           H        SER   2  34.673  13.469  15.702
    5    HA   SER   2           HA       SER   2  32.549  15.245  15.262
    6    HB2  SER   2           HB2      SER   2  33.170  13.506  17.622
    7    HB3  SER   2           HB3      SER   2  31.500  14.099  17.074
    8    HG   SER   2           HG       SER   2  31.942  12.120  16.348
    9    H    ASP   3           H        ASP   3  34.750  15.220  18.052
   10    HA   ASP   3           HA       ASP   3  33.998  17.772  19.077
   11    HB2  ASP   3           HB2      ASP   3  35.013  15.689  20.373
   12    HB3  ASP   3           HB3      ASP   3  36.544  16.415  19.964
   13    H    ALA   4           H        ALA   4  36.661  16.771  16.950
   14    HA   ALA   4           HA       ALA   4  37.809  19.547  16.954
   15    HB1  ALA   4           HB1      ALA   4  39.035  17.467  15.929
   16    HB2  ALA   4           HB2      ALA   4  37.694  17.385  14.794
   17    HB3  ALA   4           HB3      ALA   4  38.990  18.821  14.881
   18    H    ALA   5           H        ALA   5  35.066  18.272  15.194
   19    HA   ALA   5           HA       ALA   5  34.596  20.753  13.698
   20    HB1  ALA   5           HB1      ALA   5  33.433  18.709  12.960
   21    HB2  ALA   5           HB2      ALA   5  32.660  18.576  14.619
   22    HB3  ALA   5           HB3      ALA   5  32.250  19.867  13.505
   23    H    VAL   6           H        VAL   6  34.365  20.096  17.145
   24    HA   VAL   6           HA       VAL   6  32.859  22.579  17.503
   25    HB   VAL   6           HB       VAL   6  33.525  20.748  19.755
   26   HG11  VAL   6          HG11      VAL   6  31.175  22.698  19.424
   27   HG12  VAL   6          HG12      VAL   6  31.586  21.728  20.839
   28   HG13  VAL   6          HG13      VAL   6  32.627  23.048  20.360
   29   HG21  VAL   6          HG21      VAL   6  31.166  20.591  17.873
   30   HG22  VAL   6          HG22      VAL   6  32.388  19.308  18.157
   31   HG23  VAL   6          HG23      VAL   6  31.216  19.661  19.382
   32    H    ASP   7           H        ASP   7  35.932  22.065  16.834
   33    HA   ASP   7           HA       ASP   7  37.933  22.564  17.284
   34    HB2  ASP   7           HB2      ASP   7  36.982  25.011  17.152
   35    HB3  ASP   7           HB3      ASP   7  36.962  24.959  18.939
   36    H    THR   8           H        THR   8  37.138  20.783  18.841
   37    HA   THR   8           HA       THR   8  37.381  19.481  20.609
   38    HB   THR   8           HB       THR   8  40.064  20.928  20.922
   39    HG1  THR   8           HG1      THR   8  40.224  20.204  19.010
   40   HG21  THR   8          HG21      THR   8  39.226  18.208  21.924
   41   HG22  THR   8          HG22      THR   8  40.914  18.758  21.778
   42   HG23  THR   8          HG23      THR   8  39.793  19.553  22.919
   43    H    SER   9           H        SER   9  35.609  20.186  21.854
   44    HA   SER   9           HA       SER   9  35.638  22.284  23.946
   45    HB2  SER   9           HB2      SER   9  33.381  21.504  24.247
   46    HB3  SER   9           HB3      SER   9  33.723  21.260  22.487
   47    HG   SER   9           HG       SER   9  33.925  19.011  22.825
   48    H    SER  10           H        SER  10  36.542  18.886  23.762
   49    HA   SER  10           HA       SER  10  36.453  17.935  26.358
   50    HB2  SER  10           HB2      SER  10  38.629  17.672  24.314
   51    HB3  SER  10           HB3      SER  10  38.418  16.525  25.698
   52    HG   SER  10           HG       SER  10  36.655  16.758  23.460
   53    H    GLU  11           H        GLU  11  38.372  20.664  25.320
   54    HA   GLU  11           HA       GLU  11  40.311  20.311  27.621
   55    HB2  GLU  11           HB2      GLU  11  40.471  22.027  25.222
   56    HB3  GLU  11           HB3      GLU  11  41.469  22.451  26.636
   57    HG2  GLU  11           HG2      GLU  11  42.423  19.934  26.417
   58    HG3  GLU  11           HG3      GLU  11  41.700  20.086  24.817
   59    H    ILE  12           H        ILE  12  37.758  22.436  26.540
   60    HA   ILE  12           HA       ILE  12  37.986  24.180  28.919
   61    HB   ILE  12           HB       ILE  12  36.112  25.515  27.828
   62   HG12  ILE  12          HG12      ILE  12  36.742  23.994  25.356
   63   HG13  ILE  12          HG13      ILE  12  35.500  23.587  26.466
   64   HG21  ILE  12          HG21      ILE  12  38.373  26.394  27.764
   65   HG22  ILE  12          HG22      ILE  12  38.806  25.069  26.614
   66   HG23  ILE  12          HG23      ILE  12  37.679  26.328  26.051
   67   HD11  ILE  12          HD11      ILE  12  35.487  26.244  25.106
   68   HD12  ILE  12          HD12      ILE  12  34.374  24.835  24.716
   69   HD13  ILE  12          HD13      ILE  12  34.350  25.525  26.231
   70    H    THR  13           H        THR  13  35.763  21.734  27.749
   71    HA   THR  13           HA       THR  13  33.343  21.760  28.809
   72    HB   THR  13           HB       THR  13  34.293  19.750  27.733
   73    HG1  THR  13           HG1      THR  13  32.647  19.010  29.203
   74   HG21  THR  13          HG21      THR  13  36.096  19.287  30.160
   75   HG22  THR  13          HG22      THR  13  35.946  18.279  28.803
   76   HG23  THR  13          HG23      THR  13  36.575  19.928  28.510
   77    H    THR  14           H        THR  14  36.063  21.242  31.375
   78    HA   THR  14           HA       THR  14  34.071  20.699  33.486
   79    HB   THR  14           HB       THR  14  36.657  22.127  33.972
   80    HG1  THR  14           HG1      THR  14  37.215  20.030  32.855
   81   HG21  THR  14          HG21      THR  14  35.177  21.862  35.699
   82   HG22  THR  14          HG22      THR  14  34.824  20.155  35.390
   83   HG23  THR  14          HG23      THR  14  36.368  20.739  36.147
   84    H    LYS  15           H        LYS  15  35.402  23.700  32.163
   85    HA   LYS  15           HA       LYS  15  33.919  25.558  33.838
   86    HB2  LYS  15           HB2      LYS  15  34.673  25.991  30.976
   87    HB3  LYS  15           HB3      LYS  15  34.337  27.185  32.308
   88    HG2  LYS  15           HG2      LYS  15  36.497  26.742  33.428
   89    HG3  LYS  15           HG3      LYS  15  36.741  25.358  32.249
   90    HD2  LYS  15           HD2      LYS  15  38.171  27.285  31.691
   91    HD3  LYS  15           HD3      LYS  15  37.020  26.726  30.481
   92    HE2  LYS  15           HE2      LYS  15  35.559  28.752  31.168
   93    HE3  LYS  15           HE3      LYS  15  36.859  29.221  32.219
   94    HZ1  LYS  15           HZ1      LYS  15  38.366  29.418  30.377
   95    HZ2  LYS  15           HZ2      LYS  15  37.280  28.765  29.345
   96    HZ3  LYS  15           HZ3      LYS  15  37.040  30.215  29.989
   97    H    ASP  16           H        ASP  16  33.040  23.951  30.748
   98    HA   ASP  16           HA       ASP  16  30.564  25.125  30.593
   99    HB2  ASP  16           HB2      ASP  16  31.912  24.201  28.683
  100    HB3  ASP  16           HB3      ASP  16  31.503  22.630  29.155
  101    H    LEU  17           H        LEU  17  31.683  22.295  32.442
  102    HA   LEU  17           HA       LEU  17  28.964  21.510  33.057
  103    HB2  LEU  17           HB2      LEU  17  31.709  20.376  33.976
  104    HB3  LEU  17           HB3      LEU  17  30.229  19.714  34.500
  105    HG   LEU  17           HG       LEU  17  30.888  20.025  31.555
  106   HD11  LEU  17          HD11      LEU  17  32.749  18.690  32.475
  107   HD12  LEU  17          HD12      LEU  17  31.526  17.706  33.352
  108   HD13  LEU  17          HD13      LEU  17  31.607  17.691  31.581
  109   HD21  LEU  17          HD21      LEU  17  29.165  18.052  31.390
  110   HD22  LEU  17          HD22      LEU  17  28.890  18.140  33.066
  111   HD23  LEU  17          HD23      LEU  17  28.484  19.571  32.064
  112    H    LYS  18           H        LYS  18  31.283  23.447  34.509
  113    HA   LYS  18           HA       LYS  18  29.737  23.819  37.078
  114    HB2  LYS  18           HB2      LYS  18  32.057  25.234  35.677
  115    HB3  LYS  18           HB3      LYS  18  31.082  26.157  36.779
  116    HG2  LYS  18           HG2      LYS  18  32.782  25.339  38.104
  117    HG3  LYS  18           HG3      LYS  18  31.461  24.193  38.477
  118    HD2  LYS  18           HD2      LYS  18  32.634  22.503  36.980
  119    HD3  LYS  18           HD3      LYS  18  33.743  23.801  36.538
  120    HE2  LYS  18           HE2      LYS  18  33.273  22.785  39.320
  121    HE3  LYS  18           HE3      LYS  18  34.448  22.079  38.273
  122    HZ1  LYS  18           HZ1      LYS  18  35.629  23.589  39.484
  123    HZ2  LYS  18           HZ2      LYS  18  35.591  24.347  38.122
  124    HZ3  LYS  18           HZ3      LYS  18  34.477  24.885  39.245
  125    H    GLU  19           H        GLU  19  29.668  25.032  33.705
  126    HA   GLU  19           HA       GLU  19  27.451  26.814  34.439
  127    HB2  GLU  19           HB2      GLU  19  28.849  26.267  31.986
  128    HB3  GLU  19           HB3      GLU  19  27.415  25.485  31.733
  129    HG2  GLU  19           HG2      GLU  19  26.033  27.406  32.572
  130    HG3  GLU  19           HG3      GLU  19  27.538  28.369  32.817
  131    H    LYS  20           H        LYS  20  27.532  23.651  33.081
  132    HA   LYS  20           HA       LYS  20  24.708  23.022  33.197
  133    HB2  LYS  20           HB2      LYS  20  27.036  21.225  32.857
  134    HB3  LYS  20           HB3      LYS  20  25.470  20.613  33.037
  135    HG2  LYS  20           HG2      LYS  20  26.289  22.643  30.820
  136    HG3  LYS  20           HG3      LYS  20  25.978  20.916  30.658
  137    HD2  LYS  20           HD2      LYS  20  23.549  21.427  31.422
  138    HD3  LYS  20           HD3      LYS  20  24.004  23.143  31.136
  139    HE2  LYS  20           HE2      LYS  20  23.906  20.750  29.264
  140    HE3  LYS  20           HE3      LYS  20  22.915  22.164  29.125
  141    HZ1  LYS  20           HZ1      LYS  20  24.882  23.543  28.864
  142    HZ2  LYS  20           HZ2      LYS  20  25.802  22.239  28.458
  143    HZ3  LYS  20           HZ3      LYS  20  24.442  22.730  27.629
  144    H    LYS  21           H        LYS  21  26.810  23.023  35.795
  145    HA   LYS  21           HA       LYS  21  25.110  21.735  37.844
  146    HB2  LYS  21           HB2      LYS  21  27.895  23.134  37.919
  147    HB3  LYS  21           HB3      LYS  21  27.045  22.783  39.356
  148    HG2  LYS  21           HG2      LYS  21  28.422  20.806  37.400
  149    HG3  LYS  21           HG3      LYS  21  28.715  21.116  38.954
  150    HD2  LYS  21           HD2      LYS  21  26.560  20.248  39.865
  151    HD3  LYS  21           HD3      LYS  21  26.048  19.901  38.259
  152    HE2  LYS  21           HE2      LYS  21  27.875  18.144  37.949
  153    HE3  LYS  21           HE3      LYS  21  28.727  18.854  39.321
  154    HZ1  LYS  21           HZ1      LYS  21  27.326  17.802  40.732
  155    HZ2  LYS  21           HZ2      LYS  21  26.090  17.599  39.665
  156    HZ3  LYS  21           HZ3      LYS  21  27.459  16.692  39.547
  157    H    GLU  22           H        GLU  22  25.768  24.911  36.661
  158    HA   GLU  22           HA       GLU  22  24.694  26.309  39.120
  159    HB2  GLU  22           HB2      GLU  22  26.769  27.151  38.207
  160    HB3  GLU  22           HB3      GLU  22  26.079  27.415  36.696
  161    HG2  GLU  22           HG2      GLU  22  24.348  28.924  37.804
  162    HG3  GLU  22           HG3      GLU  22  25.094  28.759  39.320
  163    H    VAL  23           H        VAL  23  23.981  25.892  35.755
  164    HA   VAL  23           HA       VAL  23  21.317  27.024  35.824
  165    HB   VAL  23           HB       VAL  23  22.887  26.247  33.794
  166   HG11  VAL  23          HG11      VAL  23  23.295  24.060  34.286
  167   HG12  VAL  23          HG12      VAL  23  21.652  23.614  33.963
  168   HG13  VAL  23          HG13      VAL  23  22.693  24.199  32.717
  169   HG21  VAL  23          HG21      VAL  23  20.540  27.318  33.620
  170   HG22  VAL  23          HG22      VAL  23  20.915  26.103  32.429
  171   HG23  VAL  23          HG23      VAL  23  19.937  25.535  33.801
  172    H    VAL  24           H        VAL  24  22.848  23.779  36.717
  173    HA   VAL  24           HA       VAL  24  20.090  22.727  37.190
  174    HB   VAL  24           HB       VAL  24  22.085  21.321  36.216
  175   HG11  VAL  24          HG11      VAL  24  22.511  19.581  38.147
  176   HG12  VAL  24          HG12      VAL  24  23.321  21.084  38.513
  177   HG13  VAL  24          HG13      VAL  24  21.704  20.756  39.201
  178   HG21  VAL  24          HG21      VAL  24  20.684  19.386  36.974
  179   HG22  VAL  24          HG22      VAL  24  19.705  20.618  37.805
  180   HG23  VAL  24          HG23      VAL  24  19.878  20.561  36.022
  181    H    GLU  25           H        GLU  25  22.537  24.295  39.247
  182    HA   GLU  25           HA       GLU  25  20.970  23.692  41.490
  183    HB2  GLU  25           HB2      GLU  25  23.331  23.921  41.621
  184    HB3  GLU  25           HB3      GLU  25  23.406  25.619  41.124
  185    HG2  GLU  25           HG2      GLU  25  22.082  26.165  43.122
  186    HG3  GLU  25           HG3      GLU  25  22.114  24.442  43.586
  187    H    GLU  26           H        GLU  26  20.708  26.059  39.064
  188    HA   GLU  26           HA       GLU  26  18.783  27.594  40.593
  189    HB2  GLU  26           HB2      GLU  26  20.256  28.400  38.742
  190    HB3  GLU  26           HB3      GLU  26  19.513  27.439  37.613
  191    HG2  GLU  26           HG2      GLU  26  17.388  28.438  37.700
  192    HG3  GLU  26           HG3      GLU  26  17.788  29.206  39.310
  193    H    ALA  27           H        ALA  27  18.733  24.900  38.227
  194    HA   ALA  27           HA       ALA  27  15.970  24.654  37.670
  195    HB1  ALA  27           HB1      ALA  27  17.897  23.561  36.483
  196    HB2  ALA  27           HB2      ALA  27  17.793  22.399  37.815
  197    HB3  ALA  27           HB3      ALA  27  16.467  22.469  36.649
  198    H    GLU  28           H        GLU  28  17.764  23.415  40.441
  199    HA   GLU  28           HA       GLU  28  15.747  21.931  41.863
  200    HB2  GLU  28           HB2      GLU  28  18.192  21.458  42.075
  201    HB3  GLU  28           HB3      GLU  28  18.371  23.104  42.680
  202    HG2  GLU  28           HG2      GLU  28  17.280  22.377  44.756
  203    HG3  GLU  28           HG3      GLU  28  16.686  20.874  43.851
  204    H    ASN  29           H        ASN  29  16.389  25.271  41.472
  205    HA   ASN  29           HA       ASN  29  15.121  26.037  44.040
  206    HB2  ASN  29           HB2      ASN  29  17.323  26.962  43.414
  207    HB3  ASN  29           HB3      ASN  29  16.677  27.722  41.969
  208   HD21  ASN  29          HD22      ASN  29  15.095  29.344  42.391
  209   HD22  ASN  29          HD21      ASN  29  14.872  30.244  43.910
  Start of MODEL   14
    1    H1   ACE   1          HH32      ACE   1  38.332  14.600  14.588
    2    H2   ACE   1          HH33      ACE   1  37.686  13.945  16.000
    3    H3   ACE   1          HH31      ACE   1  37.118  13.387  14.363
    4    H    SER   2           H        SER   2  34.903  13.976  15.767
    5    HA   SER   2           HA       SER   2  33.984  16.346  14.331
    6    HB2  SER   2           HB2      SER   2  31.814  15.681  15.332
    7    HB3  SER   2           HB3      SER   2  32.575  14.229  14.663
    8    HG   SER   2           HG       SER   2  31.742  14.127  16.968
    9    H    ASP   3           H        ASP   3  35.337  15.915  17.478
   10    HA   ASP   3           HA       ASP   3  34.325  18.456  18.514
   11    HB2  ASP   3           HB2      ASP   3  34.551  16.551  19.864
   12    HB3  ASP   3           HB3      ASP   3  36.400  16.671  19.659
   13    H    ALA   4           H        ALA   4  36.662  17.825  16.119
   14    HA   ALA   4           HA       ALA   4  38.413  19.837  16.930
   15    HB1  ALA   4           HB1      ALA   4  39.145  17.874  15.229
   16    HB2  ALA   4           HB2      ALA   4  37.998  18.494  14.159
   17    HB3  ALA   4           HB3      ALA   4  39.469  19.398  14.547
   18    H    ALA   5           H        ALA   5  35.357  19.758  15.057
   19    HA   ALA   5           HA       ALA   5  35.763  22.394  13.857
   20    HB1  ALA   5           HB1      ALA   5  33.487  22.476  13.311
   21    HB2  ALA   5           HB2      ALA   5  34.243  20.936  12.924
   22    HB3  ALA   5           HB3      ALA   5  33.233  20.901  14.289
   23    H    VAL   6           H        VAL   6  35.309  21.458  17.032
   24    HA   VAL   6           HA       VAL   6  33.785  23.851  17.987
   25    HB   VAL   6           HB       VAL   6  33.965  21.178  19.424
   26   HG11  VAL   6          HG11      VAL   6  31.662  23.095  19.566
   27   HG12  VAL   6          HG12      VAL   6  32.290  21.988  20.770
   28   HG13  VAL   6          HG13      VAL   6  33.212  23.507  20.443
   29   HG21  VAL   6          HG21      VAL   6  32.004  22.243  17.365
   30   HG22  VAL   6          HG22      VAL   6  32.791  20.553  17.608
   31   HG23  VAL   6          HG23      VAL   6  31.412  21.033  18.489
   32    H    ASP   7           H        ASP   7  36.701  23.218  17.456
   33    HA   ASP   7           HA       ASP   7  38.780  23.984  18.183
   34    HB2  ASP   7           HB2      ASP   7  37.461  26.035  18.480
   35    HB3  ASP   7           HB3      ASP   7  37.434  25.869  20.209
   36    H    THR   8           H        THR   8  37.390  21.522  19.366
   37    HA   THR   8           HA       THR   8  37.679  19.852  20.782
   38    HB   THR   8           HB       THR   8  40.379  20.919  21.704
   39    HG1  THR   8           HG1      THR   8  39.892  20.302  19.560
   40   HG21  THR   8          HG21      THR   8  39.368  19.165  23.376
   41   HG22  THR   8          HG22      THR   8  38.945  18.117  21.930
   42   HG23  THR   8          HG23      THR   8  40.566  18.476  22.420
   43    H    SER   9           H        SER   9  35.785  20.315  21.839
   44    HA   SER   9           HA       SER   9  35.766  22.209  24.157
   45    HB2  SER   9           HB2      SER   9  33.464  21.373  24.521
   46    HB3  SER   9           HB3      SER   9  33.654  21.955  22.871
   47    HG   SER   9           HG       SER   9  33.916  19.620  22.298
   48    H    SER  10           H        SER  10  36.525  18.926  23.411
   49    HA   SER  10           HA       SER  10  36.231  17.550  25.967
   50    HB2  SER  10           HB2      SER  10  38.404  16.995  24.019
   51    HB3  SER  10           HB3      SER  10  37.493  15.932  25.093
   52    HG   SER  10           HG       SER  10  36.446  17.221  22.846
   53    H    GLU  11           H        GLU  11  38.564  20.044  25.031
   54    HA   GLU  11           HA       GLU  11  40.338  19.416  27.333
   55    HB2  GLU  11           HB2      GLU  11  40.234  21.849  25.737
   56    HB3  GLU  11           HB3      GLU  11  41.303  21.435  27.096
   57    HG2  GLU  11           HG2      GLU  11  42.187  19.432  25.985
   58    HG3  GLU  11           HG3      GLU  11  41.111  19.584  24.661
   59    H    ILE  12           H        ILE  12  38.159  22.021  26.515
   60    HA   ILE  12           HA       ILE  12  38.408  23.226  29.034
   61    HB   ILE  12           HB       ILE  12  36.957  25.121  28.109
   62   HG12  ILE  12          HG12      ILE  12  36.550  24.298  25.447
   63   HG13  ILE  12          HG13      ILE  12  36.011  22.942  26.416
   64   HG21  ILE  12          HG21      ILE  12  39.466  24.870  27.611
   65   HG22  ILE  12          HG22      ILE  12  38.924  24.114  26.133
   66   HG23  ILE  12          HG23      ILE  12  38.440  25.773  26.364
   67   HD11  ILE  12          HD11      ILE  12  34.581  24.462  27.722
   68   HD12  ILE  12          HD12      ILE  12  34.925  25.806  26.517
   69   HD13  ILE  12          HD13      ILE  12  34.072  24.363  26.169
   70    H    THR  13           H        THR  13  36.233  21.002  27.991
   71    HA   THR  13           HA       THR  13  33.714  21.299  28.830
   72    HB   THR  13           HB       THR  13  34.220  19.382  27.829
   73    HG1  THR  13           HG1      THR  13  33.112  17.873  28.853
   74   HG21  THR  13          HG21      THR  13  35.534  17.601  28.713
   75   HG22  THR  13          HG22      THR  13  36.424  19.046  28.380
   76   HG23  THR  13          HG23      THR  13  36.025  18.663  30.087
   77    H    THR  14           H        THR  14  36.086  20.603  31.532
   78    HA   THR  14           HA       THR  14  34.135  20.693  33.594
   79    HB   THR  14           HB       THR  14  36.596  22.020  34.419
   80    HG1  THR  14           HG1      THR  14  37.248  20.293  32.999
   81   HG21  THR  14          HG21      THR  14  35.041  19.564  35.270
   82   HG22  THR  14          HG22      THR  14  36.254  20.283  36.246
   83   HG23  THR  14          HG23      THR  14  34.752  21.173  35.957
   84    H    LYS  15           H        LYS  15  35.477  23.505  32.030
   85    HA   LYS  15           HA       LYS  15  34.128  25.556  33.653
   86    HB2  LYS  15           HB2      LYS  15  35.337  25.819  30.868
   87    HB3  LYS  15           HB3      LYS  15  34.652  27.088  32.021
   88    HG2  LYS  15           HG2      LYS  15  36.526  26.811  33.414
   89    HG3  LYS  15           HG3      LYS  15  36.859  25.189  32.907
   90    HD2  LYS  15           HD2      LYS  15  37.692  26.063  30.686
   91    HD3  LYS  15           HD3      LYS  15  37.380  27.689  31.297
   92    HE2  LYS  15           HE2      LYS  15  38.767  27.188  33.280
   93    HE3  LYS  15           HE3      LYS  15  39.302  25.743  32.584
   94    HZ1  LYS  15           HZ1      LYS  15  40.049  28.455  31.548
   95    HZ2  LYS  15           HZ2      LYS  15  40.916  27.124  32.054
   96    HZ3  LYS  15           HZ3      LYS  15  40.235  27.079  30.665
   97    H    ASP  16           H        ASP  16  33.254  23.795  30.635
   98    HA   ASP  16           HA       ASP  16  30.594  24.989  30.336
   99    HB2  ASP  16           HB2      ASP  16  31.821  23.633  28.547
  100    HB3  ASP  16           HB3      ASP  16  31.609  22.215  29.401
  101    H    LEU  17           H        LEU  17  31.852  22.428  32.428
  102    HA   LEU  17           HA       LEU  17  29.361  21.665  33.152
  103    HB2  LEU  17           HB2      LEU  17  32.024  20.811  33.926
  104    HB3  LEU  17           HB3      LEU  17  30.684  20.629  35.224
  105    HG   LEU  17           HG       LEU  17  30.571  19.662  32.379
  106   HD11  LEU  17          HD11      LEU  17  31.612  17.954  34.603
  107   HD12  LEU  17          HD12      LEU  17  31.461  17.427  32.978
  108   HD13  LEU  17          HD13      LEU  17  32.658  18.593  33.260
  109   HD21  LEU  17          HD21      LEU  17  29.075  17.961  33.340
  110   HD22  LEU  17          HD22      LEU  17  29.423  18.577  34.995
  111   HD23  LEU  17          HD23      LEU  17  28.450  19.506  33.728
  112    H    LYS  18           H        LYS  18  31.445  23.981  34.633
  113    HA   LYS  18           HA       LYS  18  29.559  24.401  36.909
  114    HB2  LYS  18           HB2      LYS  18  31.553  26.129  35.487
  115    HB3  LYS  18           HB3      LYS  18  30.588  26.728  36.806
  116    HG2  LYS  18           HG2      LYS  18  32.545  26.179  37.869
  117    HG3  LYS  18           HG3      LYS  18  31.359  24.994  38.409
  118    HD2  LYS  18           HD2      LYS  18  32.353  23.197  36.881
  119    HD3  LYS  18           HD3      LYS  18  33.491  24.305  36.317
  120    HE2  LYS  18           HE2      LYS  18  33.126  23.576  39.072
  121    HE3  LYS  18           HE3      LYS  18  34.455  22.874  38.169
  122    HZ1  LYS  18           HZ1      LYS  18  34.293  25.734  38.993
  123    HZ2  LYS  18           HZ2      LYS  18  35.264  24.546  39.544
  124    HZ3  LYS  18           HZ3      LYS  18  35.445  25.070  38.000
  125    H    GLU  19           H        GLU  19  29.312  25.192  33.600
  126    HA   GLU  19           HA       GLU  19  27.142  26.992  34.031
  127    HB2  GLU  19           HB2      GLU  19  28.145  25.598  31.628
  128    HB3  GLU  19           HB3      GLU  19  26.850  26.741  31.579
  129    HG2  GLU  19           HG2      GLU  19  28.493  28.414  32.549
  130    HG3  GLU  19           HG3      GLU  19  29.836  27.152  32.346
  131    H    LYS  20           H        LYS  20  27.540  23.493  33.324
  132    HA   LYS  20           HA       LYS  20  24.700  23.065  33.153
  133    HB2  LYS  20           HB2      LYS  20  27.043  21.093  33.772
  134    HB3  LYS  20           HB3      LYS  20  25.295  20.768  33.465
  135    HG2  LYS  20           HG2      LYS  20  27.335  21.877  31.536
  136    HG3  LYS  20           HG3      LYS  20  26.495  20.366  31.282
  137    HD2  LYS  20           HD2      LYS  20  24.360  21.529  31.180
  138    HD3  LYS  20           HD3      LYS  20  25.150  23.027  31.027
  139    HE2  LYS  20           HE2      LYS  20  25.614  20.653  29.208
  140    HE3  LYS  20           HE3      LYS  20  24.615  22.003  28.767
  141    HZ1  LYS  20           HZ1      LYS  20  26.962  22.195  27.955
  142    HZ2  LYS  20           HZ2      LYS  20  26.516  23.524  28.903
  143    HZ3  LYS  20           HZ3      LYS  20  27.472  22.374  29.440
  144    H    LYS  21           H        LYS  21  27.017  23.143  35.775
  145    HA   LYS  21           HA       LYS  21  25.151  21.912  37.666
  146    HB2  LYS  21           HB2      LYS  21  27.957  22.898  37.764
  147    HB3  LYS  21           HB3      LYS  21  27.188  22.176  39.304
  148    HG2  LYS  21           HG2      LYS  21  27.751  20.655  36.730
  149    HG3  LYS  21           HG3      LYS  21  28.583  20.585  38.272
  150    HD2  LYS  21           HD2      LYS  21  26.855  19.709  39.529
  151    HD3  LYS  21           HD3      LYS  21  25.630  20.054  38.290
  152    HE2  LYS  21           HE2      LYS  21  26.817  18.486  36.708
  153    HE3  LYS  21           HE3      LYS  21  28.176  18.410  37.748
  154    HZ1  LYS  21           HZ1      LYS  21  25.656  17.038  38.398
  155    HZ2  LYS  21           HZ2      LYS  21  27.172  16.433  38.314
  156    HZ3  LYS  21           HZ3      LYS  21  26.776  17.458  39.500
  157    H    GLU  22           H        GLU  22  25.350  24.951  36.506
  158    HA   GLU  22           HA       GLU  22  24.659  26.438  38.979
  159    HB2  GLU  22           HB2      GLU  22  26.439  27.481  37.494
  160    HB3  GLU  22           HB3      GLU  22  25.250  27.532  36.167
  161    HG2  GLU  22           HG2      GLU  22  23.661  28.860  37.462
  162    HG3  GLU  22           HG3      GLU  22  24.460  28.477  38.953
  163    H    VAL  23           H        VAL  23  23.851  25.902  35.523
  164    HA   VAL  23           HA       VAL  23  21.114  26.800  35.674
  165    HB   VAL  23           HB       VAL  23  22.455  26.166  33.669
  166   HG11  VAL  23          HG11      VAL  23  21.382  23.354  33.857
  167   HG12  VAL  23          HG12      VAL  23  22.303  24.115  32.528
  168   HG13  VAL  23          HG13      VAL  23  23.000  23.815  34.152
  169   HG21  VAL  23          HG21      VAL  23  20.543  25.760  32.261
  170   HG22  VAL  23          HG22      VAL  23  19.513  25.289  33.687
  171   HG23  VAL  23          HG23      VAL  23  20.097  26.925  33.398
  172    H    VAL  24           H        VAL  24  22.551  23.623  36.466
  173    HA   VAL  24           HA       VAL  24  19.789  22.422  36.747
  174    HB   VAL  24           HB       VAL  24  21.938  21.286  35.847
  175   HG11  VAL  24          HG11      VAL  24  23.154  21.785  37.895
  176   HG12  VAL  24          HG12      VAL  24  22.254  20.437  38.749
  177   HG13  VAL  24          HG13      VAL  24  23.167  20.082  37.314
  178   HG21  VAL  24          HG21      VAL  24  19.660  20.214  36.154
  179   HG22  VAL  24          HG22      VAL  24  20.963  19.243  35.926
  180   HG23  VAL  24          HG23      VAL  24  20.308  19.596  37.631
  181    H    GLU  25           H        GLU  25  21.935  24.063  38.974
  182    HA   GLU  25           HA       GLU  25  20.466  22.983  41.350
  183    HB2  GLU  25           HB2      GLU  25  22.783  24.768  40.946
  184    HB3  GLU  25           HB3      GLU  25  21.827  24.586  42.505
  185    HG2  GLU  25           HG2      GLU  25  23.475  22.558  40.932
  186    HG3  GLU  25           HG3      GLU  25  24.034  23.453  42.403
  187    H    GLU  26           H        GLU  26  20.787  25.950  39.338
  188    HA   GLU  26           HA       GLU  26  18.720  27.307  40.793
  189    HB2  GLU  26           HB2      GLU  26  19.997  27.660  38.014
  190    HB3  GLU  26           HB3      GLU  26  18.684  28.748  38.513
  191    HG2  GLU  26           HG2      GLU  26  21.331  28.594  39.913
  192    HG3  GLU  26           HG3      GLU  26  20.858  29.711  38.659
  193    H    ALA  27           H        ALA  27  18.563  24.993  38.185
  194    HA   ALA  27           HA       ALA  27  15.652  25.339  37.753
  195    HB1  ALA  27           HB1      ALA  27  15.869  23.108  36.603
  196    HB2  ALA  27           HB2      ALA  27  16.988  24.385  36.195
  197    HB3  ALA  27           HB3      ALA  27  17.547  22.995  37.240
  198    H    GLU  28           H        GLU  28  17.643  23.621  40.191
  199    HA   GLU  28           HA       GLU  28  15.536  22.134  41.440
  200    HB2  GLU  28           HB2      GLU  28  17.777  21.274  41.238
  201    HB3  GLU  28           HB3      GLU  28  18.394  22.652  42.201
  202    HG2  GLU  28           HG2      GLU  28  16.972  21.667  44.123
  203    HG3  GLU  28           HG3      GLU  28  16.496  20.401  42.909
  204    H    ASN  29           H        ASN  29  16.660  25.300  41.849
  205    HA   ASN  29           HA       ASN  29  16.117  25.607  44.705
  206    HB2  ASN  29           HB2      ASN  29  18.047  26.718  43.823
  207    HB3  ASN  29           HB3      ASN  29  17.175  27.356  42.471
  208   HD21  ASN  29          HD22      ASN  29  18.354  29.365  43.186
  209   HD22  ASN  29          HD21      ASN  29  17.778  30.110  44.675
  Start of MODEL   15
    1    H1   ACE   1          HH32      ACE   1  38.583  10.475  17.813
    2    H2   ACE   1          HH33      ACE   1  37.106   9.613  18.324
    3    H3   ACE   1          HH31      ACE   1  37.849   9.220  16.718
    4    H    SER   2           H        SER   2  35.798  11.529  18.628
    5    HA   SER   2           HA       SER   2  34.864  12.672  16.148
    6    HB2  SER   2           HB2      SER   2  33.430  12.079  18.839
    7    HB3  SER   2           HB3      SER   2  32.627  12.525  17.305
    8    HG   SER   2           HG       SER   2  32.665  10.263  17.804
    9    H    ASP   3           H        ASP   3  36.177  13.421  19.250
   10    HA   ASP   3           HA       ASP   3  35.023  15.883  19.338
   11    HB2  ASP   3           HB2      ASP   3  36.265  14.590  21.232
   12    HB3  ASP   3           HB3      ASP   3  37.766  15.063  20.434
   13    H    ALA   4           H        ALA   4  37.395  15.048  17.047
   14    HA   ALA   4           HA       ALA   4  38.502  17.599  16.355
   15    HB1  ALA   4           HB1      ALA   4  39.363  15.476  15.633
   16    HB2  ALA   4           HB2      ALA   4  37.741  15.113  14.807
   17    HB3  ALA   4           HB3      ALA   4  38.808  16.308  14.156
   18    H    ALA   5           H        ALA   5  35.259  16.073  15.724
   19    HA   ALA   5           HA       ALA   5  34.477  18.132  13.875
   20    HB1  ALA   5           HB1      ALA   5  32.422  17.054  13.946
   21    HB2  ALA   5           HB2      ALA   5  33.719  15.825  13.917
   22    HB3  ALA   5           HB3      ALA   5  32.793  16.005  15.345
   23    H    VAL   6           H        VAL   6  34.976  18.171  17.172
   24    HA   VAL   6           HA       VAL   6  32.865  20.213  17.801
   25    HB   VAL   6           HB       VAL   6  33.784  18.268  19.888
   26   HG11  VAL   6          HG11      VAL   6  31.138  19.496  19.646
   27   HG12  VAL   6          HG12      VAL   6  31.699  18.416  20.985
   28   HG13  VAL   6          HG13      VAL   6  32.411  20.028  20.729
   29   HG21  VAL   6          HG21      VAL   6  31.521  16.881  19.323
   30   HG22  VAL   6          HG22      VAL   6  31.523  17.768  17.873
   31   HG23  VAL   6          HG23      VAL   6  32.889  16.632  18.275
   32    H    ASP   7           H        ASP   7  35.710  20.481  17.169
   33    HA   ASP   7           HA       ASP   7  37.304  22.271  17.660
   34    HB2  ASP   7           HB2      ASP   7  35.165  23.688  17.609
   35    HB3  ASP   7           HB3      ASP   7  35.146  23.569  19.378
   36    H    THR   8           H        THR   8  37.712  19.934  18.973
   37    HA   THR   8           HA       THR   8  38.630  18.964  21.135
   38    HB   THR   8           HB       THR   8  40.101  21.522  21.552
   39    HG1  THR   8           HG1      THR   8  40.026  21.395  19.477
   40   HG21  THR   8          HG21      THR   8  40.597  18.498  21.332
   41   HG22  THR   8          HG22      THR   8  41.796  19.693  21.737
   42   HG23  THR   8          HG23      THR   8  40.363  19.329  22.895
   43    H    SER   9           H        SER   9  36.028  19.502  21.575
   44    HA   SER   9           HA       SER   9  35.732  21.009  24.021
   45    HB2  SER   9           HB2      SER   9  33.553  20.013  24.218
   46    HB3  SER   9           HB3      SER   9  33.852  20.172  22.505
   47    HG   SER   9           HG       SER   9  34.620  17.869  22.620
   48    H    SER  10           H        SER  10  37.495  18.008  23.681
   49    HA   SER  10           HA       SER  10  37.141  16.979  26.379
   50    HB2  SER  10           HB2      SER  10  39.541  16.819  24.361
   51    HB3  SER  10           HB3      SER  10  39.324  15.793  25.770
   52    HG   SER  10           HG       SER  10  37.822  15.970  23.412
   53    H    GLU  11           H        GLU  11  38.894  19.915  25.391
   54    HA   GLU  11           HA       GLU  11  40.439  20.183  27.890
   55    HB2  GLU  11           HB2      GLU  11  40.011  22.275  25.945
   56    HB3  GLU  11           HB3      GLU  11  41.110  22.257  27.132
   57    HG2  GLU  11           HG2      GLU  11  42.290  20.162  26.288
   58    HG3  GLU  11           HG3      GLU  11  41.256  20.191  24.933
   59    H    ILE  12           H        ILE  12  37.519  21.400  26.440
   60    HA   ILE  12           HA       ILE  12  37.454  23.495  28.570
   61    HB   ILE  12           HB       ILE  12  35.818  24.800  27.495
   62   HG12  ILE  12          HG12      ILE  12  35.758  23.524  24.915
   63   HG13  ILE  12          HG13      ILE  12  35.202  22.386  26.090
   64   HG21  ILE  12          HG21      ILE  12  37.336  25.433  25.620
   65   HG22  ILE  12          HG22      ILE  12  38.262  24.776  27.030
   66   HG23  ILE  12          HG23      ILE  12  38.105  23.790  25.656
   67   HD11  ILE  12          HD11      ILE  12  34.222  25.334  25.955
   68   HD12  ILE  12          HD12      ILE  12  33.461  24.164  24.990
   69   HD13  ILE  12          HD13      ILE  12  33.344  23.987  26.704
   70    H    THR  13           H        THR  13  35.698  20.519  28.158
   71    HA   THR  13           HA       THR  13  33.346  20.832  28.855
   72    HB   THR  13           HB       THR  13  34.049  18.706  28.319
   73    HG1  THR  13           HG1      THR  13  33.834  17.315  29.942
   74   HG21  THR  13          HG21      THR  13  35.766  17.418  29.002
   75   HG22  THR  13          HG22      THR  13  36.496  19.056  28.870
   76   HG23  THR  13          HG23      THR  13  36.252  18.377  30.413
   77    H    THR  14           H        THR  14  35.900  21.075  31.362
   78    HA   THR  14           HA       THR  14  34.251  20.845  33.726
   79    HB   THR  14           HB       THR  14  36.801  22.535  33.403
   80    HG1  THR  14           HG1      THR  14  37.271  20.369  32.899
   81   HG21  THR  14          HG21      THR  14  35.725  23.123  35.428
   82   HG22  THR  14          HG22      THR  14  35.477  21.611  35.924
   83   HG23  THR  14          HG23      THR  14  37.221  22.174  35.767
   84    H    LYS  15           H        LYS  15  35.424  23.748  31.856
   85    HA   LYS  15           HA       LYS  15  33.826  25.782  33.363
   86    HB2  LYS  15           HB2      LYS  15  34.782  25.647  30.423
   87    HB3  LYS  15           HB3      LYS  15  34.030  27.004  31.321
   88    HG2  LYS  15           HG2      LYS  15  35.861  27.376  32.663
   89    HG3  LYS  15           HG3      LYS  15  36.676  25.851  32.168
   90    HD2  LYS  15           HD2      LYS  15  36.617  26.761  29.732
   91    HD3  LYS  15           HD3      LYS  15  36.212  28.273  30.553
   92    HE2  LYS  15           HE2      LYS  15  38.228  28.145  31.895
   93    HE3  LYS  15           HE3      LYS  15  38.781  26.741  30.886
   94    HZ1  LYS  15           HZ1      LYS  15  38.703  28.104  28.991
   95    HZ2  LYS  15           HZ2      LYS  15  38.324  29.365  29.836
   96    HZ3  LYS  15           HZ3      LYS  15  39.813  28.678  30.052
   97    H    ASP  16           H        ASP  16  33.017  23.571  30.746
   98    HA   ASP  16           HA       ASP  16  30.413  24.627  30.432
   99    HB2  ASP  16           HB2      ASP  16  31.524  23.465  28.615
  100    HB3  ASP  16           HB3      ASP  16  31.534  21.929  29.574
  101    H    LEU  17           H        LEU  17  31.818  22.153  32.549
  102    HA   LEU  17           HA       LEU  17  29.063  21.346  33.371
  103    HB2  LEU  17           HB2      LEU  17  31.863  20.306  34.157
  104    HB3  LEU  17           HB3      LEU  17  30.290  19.812  34.876
  105    HG   LEU  17           HG       LEU  17  31.015  19.585  31.846
  106   HD11  LEU  17          HD11      LEU  17  31.562  17.641  34.119
  107   HD12  LEU  17          HD12      LEU  17  31.345  17.149  32.345
  108   HD13  LEU  17          HD13      LEU  17  32.678  18.131  32.877
  109   HD21  LEU  17          HD21      LEU  17  29.262  17.842  31.779
  110   HD22  LEU  17          HD22      LEU  17  29.130  17.924  33.539
  111   HD23  LEU  17          HD23      LEU  17  28.415  19.206  32.463
  112    H    LYS  18           H        LYS  18  31.299  23.477  34.446
  113    HA   LYS  18           HA       LYS  18  29.813  24.164  36.851
  114    HB2  LYS  18           HB2      LYS  18  32.156  25.323  35.198
  115    HB3  LYS  18           HB3      LYS  18  31.253  26.475  36.178
  116    HG2  LYS  18           HG2      LYS  18  33.079  25.652  37.353
  117    HG3  LYS  18           HG3      LYS  18  31.502  25.110  38.165
  118    HD2  LYS  18           HD2      LYS  18  32.055  22.692  37.385
  119    HD3  LYS  18           HD3      LYS  18  33.371  23.341  36.480
  120    HE2  LYS  18           HE2      LYS  18  34.071  22.068  38.372
  121    HE3  LYS  18           HE3      LYS  18  34.662  23.675  38.599
  122    HZ1  LYS  18           HZ1      LYS  18  32.663  24.325  39.884
  123    HZ2  LYS  18           HZ2      LYS  18  32.331  22.669  39.971
  124    HZ3  LYS  18           HZ3      LYS  18  33.697  23.459  40.594
  125    H    GLU  19           H        GLU  19  29.401  24.853  33.473
  126    HA   GLU  19           HA       GLU  19  27.398  26.870  33.957
  127    HB2  GLU  19           HB2      GLU  19  28.645  26.344  31.766
  128    HB3  GLU  19           HB3      GLU  19  27.682  25.009  31.405
  129    HG2  GLU  19           HG2      GLU  19  25.689  26.768  31.926
  130    HG3  GLU  19           HG3      GLU  19  27.055  27.876  31.469
  131    H    LYS  20           H        LYS  20  27.597  23.551  33.394
  132    HA   LYS  20           HA       LYS  20  24.635  23.017  33.611
  133    HB2  LYS  20           HB2      LYS  20  26.757  20.889  33.912
  134    HB3  LYS  20           HB3      LYS  20  25.028  20.677  33.558
  135    HG2  LYS  20           HG2      LYS  20  27.230  21.683  31.673
  136    HG3  LYS  20           HG3      LYS  20  26.233  20.284  31.594
  137    HD2  LYS  20           HD2      LYS  20  24.144  21.828  31.413
  138    HD3  LYS  20           HD3      LYS  20  25.175  23.195  31.437
  139    HE2  LYS  20           HE2      LYS  20  25.540  21.083  29.286
  140    HE3  LYS  20           HE3      LYS  20  24.418  22.459  29.247
  141    HZ1  LYS  20           HZ1      LYS  20  26.349  23.884  29.518
  142    HZ2  LYS  20           HZ2      LYS  20  27.368  22.560  29.723
  143    HZ3  LYS  20           HZ3      LYS  20  26.920  22.858  28.331
  144    H    LYS  21           H        LYS  21  26.904  23.577  36.048
  145    HA   LYS  21           HA       LYS  21  25.137  22.137  37.999
  146    HB2  LYS  21           HB2      LYS  21  28.093  23.159  38.239
  147    HB3  LYS  21           HB3      LYS  21  27.137  22.631  39.637
  148    HG2  LYS  21           HG2      LYS  21  26.583  20.479  38.683
  149    HG3  LYS  21           HG3      LYS  21  27.370  20.903  37.165
  150    HD2  LYS  21           HD2      LYS  21  29.595  21.231  38.458
  151    HD3  LYS  21           HD3      LYS  21  28.675  20.920  39.900
  152    HE2  LYS  21           HE2      LYS  21  29.211  19.053  37.640
  153    HE3  LYS  21           HE3      LYS  21  29.880  18.889  39.296
  154    HZ1  LYS  21           HZ1      LYS  21  28.251  17.312  39.131
  155    HZ2  LYS  21           HZ2      LYS  21  27.567  18.447  39.986
  156    HZ3  LYS  21           HZ3      LYS  21  27.143  18.274  38.405
  157    H    GLU  22           H        GLU  22  25.581  25.027  36.702
  158    HA   GLU  22           HA       GLU  22  24.873  26.631  39.214
  159    HB2  GLU  22           HB2      GLU  22  27.149  27.352  38.018
  160    HB3  GLU  22           HB3      GLU  22  26.092  27.661  36.716
  161    HG2  GLU  22           HG2      GLU  22  26.735  29.743  37.949
  162    HG3  GLU  22           HG3      GLU  22  25.001  29.532  37.953
  163    H    VAL  23           H        VAL  23  24.207  26.195  35.710
  164    HA   VAL  23           HA       VAL  23  21.880  27.487  35.774
  165    HB   VAL  23           HB       VAL  23  23.215  26.340  33.844
  166   HG11  VAL  23          HG11      VAL  23  23.103  24.269  34.465
  167   HG12  VAL  23          HG12      VAL  23  21.282  24.168  34.039
  168   HG13  VAL  23          HG13      VAL  23  22.593  24.549  32.861
  169   HG21  VAL  23          HG21      VAL  23  20.190  26.589  33.711
  170   HG22  VAL  23          HG22      VAL  23  21.483  27.752  32.986
  171   HG23  VAL  23          HG23      VAL  23  21.003  26.172  32.360
  172    H    VAL  24           H        VAL  24  22.804  24.185  36.682
  173    HA   VAL  24           HA       VAL  24  19.961  23.311  36.879
  174    HB   VAL  24           HB       VAL  24  21.954  21.939  36.060
  175   HG11  VAL  24          HG11      VAL  24  22.563  20.270  37.951
  176   HG12  VAL  24          HG12      VAL  24  23.022  22.055  38.258
  177   HG13  VAL  24          HG13      VAL  24  21.659  21.222  39.088
  178   HG21  VAL  24          HG21      VAL  24  19.655  20.728  37.766
  179   HG22  VAL  24          HG22      VAL  24  19.439  21.142  36.163
  180   HG23  VAL  24          HG23      VAL  24  20.628  19.836  36.601
  181    H    GLU  25           H        GLU  25  22.267  24.345  39.136
  182    HA   GLU  25           HA       GLU  25  20.626  23.629  41.466
  183    HB2  GLU  25           HB2      GLU  25  23.103  24.056  41.565
  184    HB3  GLU  25           HB3      GLU  25  22.808  25.709  41.013
  185    HG2  GLU  25           HG2      GLU  25  21.670  26.239  43.037
  186    HG3  GLU  25           HG3      GLU  25  21.770  24.543  43.647
  187    H    GLU  26           H        GLU  26  20.636  26.376  39.155
  188    HA   GLU  26           HA       GLU  26  18.398  27.422  40.648
  189    HB2  GLU  26           HB2      GLU  26  19.941  29.015  39.605
  190    HB3  GLU  26           HB3      GLU  26  19.887  28.198  38.088
  191    HG2  GLU  26           HG2      GLU  26  17.564  28.900  37.767
  192    HG3  GLU  26           HG3      GLU  26  17.609  29.671  39.450
  193    H    ALA  27           H        ALA  27  18.616  25.005  38.045
  194    HA   ALA  27           HA       ALA  27  15.801  25.115  37.513
  195    HB1  ALA  27           HB1      ALA  27  17.676  22.661  37.334
  196    HB2  ALA  27           HB2      ALA  27  16.253  22.961  36.478
  197    HB3  ALA  27           HB3      ALA  27  17.601  24.009  36.103
  198    H    GLU  28           H        GLU  28  17.657  23.235  39.609
  199    HA   GLU  28           HA       GLU  28  15.404  21.702  40.787
  200    HB2  GLU  28           HB2      GLU  28  18.421  21.784  41.523
  201    HB3  GLU  28           HB3      GLU  28  17.218  20.879  42.351
  202    HG2  GLU  28           HG2      GLU  28  17.444  20.533  39.437
  203    HG3  GLU  28           HG3      GLU  28  18.733  19.764  40.389
  204    H    ASN  29           H        ASN  29  16.674  24.641  41.818
  205    HA   ASN  29           HA       ASN  29  15.949  24.542  44.665
  206    HB2  ASN  29           HB2      ASN  29  17.192  26.530  42.806
  207    HB3  ASN  29           HB3      ASN  29  16.192  27.205  43.861
  208   HD21  ASN  29          HD22      ASN  29  19.242  26.199  43.387
  209   HD22  ASN  29          HD21      ASN  29  19.714  25.868  45.016
  Start of MODEL   16
    1    H1   ACE   1          HH32      ACE   1  38.899  15.815  14.729
    2    H2   ACE   1          HH33      ACE   1  38.920  15.860  12.871
    3    H3   ACE   1          HH31      ACE   1  39.633  17.145  13.649
    4    H    SER   2           H        SER   2  36.678  15.372  14.370
    5    HA   SER   2           HA       SER   2  34.839  17.162  13.135
    6    HB2  SER   2           HB2      SER   2  34.261  15.647  15.594
    7    HB3  SER   2           HB3      SER   2  33.052  16.217  14.332
    8    HG   SER   2           HG       SER   2  34.788  14.033  14.342
    9    H    ASP   3           H        ASP   3  36.282  17.220  16.450
   10    HA   ASP   3           HA       ASP   3  34.482  19.112  17.523
   11    HB2  ASP   3           HB2      ASP   3  35.563  17.488  18.841
   12    HB3  ASP   3           HB3      ASP   3  37.128  18.487  18.610
   13    H    ALA   4           H        ALA   4  36.900  19.649  15.162
   14    HA   ALA   4           HA       ALA   4  37.577  22.398  15.823
   15    HB1  ALA   4           HB1      ALA   4  39.083  21.277  14.330
   16    HB2  ALA   4           HB2      ALA   4  37.624  20.819  13.336
   17    HB3  ALA   4           HB3      ALA   4  38.175  22.486  13.371
   18    H    ALA   5           H        ALA   5  34.855  21.053  13.848
   19    HA   ALA   5           HA       ALA   5  33.628  23.554  13.207
   20    HB1  ALA   5           HB1      ALA   5  32.416  20.683  13.554
   21    HB2  ALA   5           HB2      ALA   5  31.718  22.051  12.680
   22    HB3  ALA   5           HB3      ALA   5  33.259  21.349  12.131
   23    H    VAL   6           H        VAL   6  34.037  22.134  16.264
   24    HA   VAL   6           HA       VAL   6  31.675  23.691  17.344
   25    HB   VAL   6           HB       VAL   6  33.219  21.644  18.846
   26   HG11  VAL   6          HG11      VAL   6  30.880  21.654  20.164
   27   HG12  VAL   6          HG12      VAL   6  31.448  23.312  19.976
   28   HG13  VAL   6          HG13      VAL   6  30.283  22.624  18.838
   29   HG21  VAL   6          HG21      VAL   6  30.874  21.056  17.072
   30   HG22  VAL   6          HG22      VAL   6  32.575  20.378  17.134
   31   HG23  VAL   6          HG23      VAL   6  31.330  20.094  18.476
   32    H    ASP   7           H        ASP   7  34.860  23.967  16.663
   33    HA   ASP   7           HA       ASP   7  36.539  25.339  17.181
   34    HB2  ASP   7           HB2      ASP   7  34.857  27.105  17.271
   35    HB3  ASP   7           HB3      ASP   7  34.664  26.911  18.946
   36    H    THR   8           H        THR   8  36.365  22.981  18.478
   37    HA   THR   8           HA       THR   8  37.233  21.628  19.976
   38    HB   THR   8           HB       THR   8  39.175  23.868  20.700
   39    HG1  THR   8           HG1      THR   8  39.494  23.606  18.759
   40   HG21  THR   8          HG21      THR   8  39.368  20.818  21.001
   41   HG22  THR   8          HG22      THR   8  40.717  21.823  21.289
   42   HG23  THR   8          HG23      THR   8  39.305  21.986  22.372
   43    H    SER   9           H        SER   9  34.938  21.706  20.914
   44    HA   SER   9           HA       SER   9  34.526  22.845  23.462
   45    HB2  SER   9           HB2      SER   9  32.709  21.371  23.646
   46    HB3  SER   9           HB3      SER   9  32.817  21.885  22.007
   47    HG   SER   9           HG       SER   9  33.904  19.955  21.467
   48    H    SER  10           H        SER  10  36.409  20.023  22.670
   49    HA   SER  10           HA       SER  10  36.634  18.935  25.213
   50    HB2  SER  10           HB2      SER  10  38.681  18.901  23.000
   51    HB3  SER  10           HB3      SER  10  38.621  17.730  24.185
   52    HG   SER  10           HG       SER  10  36.804  18.278  22.198
   53    H    GLU  11           H        GLU  11  37.995  21.902  24.297
   54    HA   GLU  11           HA       GLU  11  39.788  21.624  26.630
   55    HB2  GLU  11           HB2      GLU  11  40.036  23.513  24.401
   56    HB3  GLU  11           HB3      GLU  11  40.912  23.630  25.926
   57    HG2  GLU  11           HG2      GLU  11  42.070  21.426  25.415
   58    HG3  GLU  11           HG3      GLU  11  41.138  21.187  24.016
   59    H    ILE  12           H        ILE  12  36.931  23.298  25.696
   60    HA   ILE  12           HA       ILE  12  37.223  24.897  28.227
   61    HB   ILE  12           HB       ILE  12  35.021  26.050  27.452
   62   HG12  ILE  12          HG12      ILE  12  35.328  24.494  24.757
   63   HG13  ILE  12          HG13      ILE  12  34.311  23.821  26.032
   64   HG21  ILE  12          HG21      ILE  12  37.184  26.069  25.414
   65   HG22  ILE  12          HG22      ILE  12  35.851  27.270  25.564
   66   HG23  ILE  12          HG23      ILE  12  36.963  27.195  26.886
   67   HD11  ILE  12          HD11      ILE  12  32.885  25.808  26.032
   68   HD12  ILE  12          HD12      ILE  12  33.899  26.541  24.726
   69   HD13  ILE  12          HD13      ILE  12  32.920  25.048  24.544
   70    H    THR  13           H        THR  13  35.759  21.997  27.188
   71    HA   THR  13           HA       THR  13  33.411  21.950  28.472
   72    HB   THR  13           HB       THR  13  34.173  20.059  27.222
   73    HG1  THR  13           HG1      THR  13  32.891  19.556  29.270
   74   HG21  THR  13          HG21      THR  13  35.945  18.786  27.675
   75   HG22  THR  13          HG22      THR  13  36.678  20.347  28.173
   76   HG23  THR  13          HG23      THR  13  36.200  19.236  29.414
   77    H    THR  14           H        THR  14  36.429  21.778  30.623
   78    HA   THR  14           HA       THR  14  34.734  21.077  32.850
   79    HB   THR  14           HB       THR  14  37.537  22.420  33.065
   80    HG1  THR  14           HG1      THR  14  37.918  20.739  31.819
   81   HG21  THR  14          HG21      THR  14  35.970  20.432  34.715
   82   HG22  THR  14          HG22      THR  14  37.640  21.012  35.064
   83   HG23  THR  14          HG23      THR  14  36.218  22.083  35.141
   84    H    LYS  15           H        LYS  15  35.215  24.054  31.228
   85    HA   LYS  15           HA       LYS  15  34.450  25.981  33.436
   86    HB2  LYS  15           HB2      LYS  15  34.707  26.464  30.492
   87    HB3  LYS  15           HB3      LYS  15  34.442  27.611  31.721
   88    HG2  LYS  15           HG2      LYS  15  36.788  27.161  32.656
   89    HG3  LYS  15           HG3      LYS  15  36.998  25.904  31.465
   90    HD2  LYS  15           HD2      LYS  15  36.884  27.438  29.726
   91    HD3  LYS  15           HD3      LYS  15  36.513  28.793  30.736
   92    HE2  LYS  15           HE2      LYS  15  38.577  28.630  32.068
   93    HE3  LYS  15           HE3      LYS  15  39.024  27.204  31.167
   94    HZ1  LYS  15           HZ1      LYS  15  39.964  29.448  30.490
   95    HZ2  LYS  15           HZ2      LYS  15  39.172  28.755  29.208
   96    HZ3  LYS  15           HZ3      LYS  15  38.434  29.931  30.039
   97    H    ASP  16           H        ASP  16  33.083  24.146  30.758
   98    HA   ASP  16           HA       ASP  16  30.441  25.193  30.968
   99    HB2  ASP  16           HB2      ASP  16  31.694  24.406  28.885
  100    HB3  ASP  16           HB3      ASP  16  31.647  22.813  29.479
  101    H    LEU  17           H        LEU  17  32.137  22.624  32.671
  102    HA   LEU  17           HA       LEU  17  29.686  21.192  33.018
  103    HB2  LEU  17           HB2      LEU  17  32.527  20.577  33.553
  104    HB3  LEU  17           HB3      LEU  17  31.240  19.654  34.404
  105    HG   LEU  17           HG       LEU  17  31.166  20.010  31.510
  106   HD11  LEU  17          HD11      LEU  17  33.214  19.045  31.723
  107   HD12  LEU  17          HD12      LEU  17  32.582  17.840  32.993
  108   HD13  LEU  17          HD13      LEU  17  32.081  17.761  31.233
  109   HD21  LEU  17          HD21      LEU  17  30.069  17.642  32.872
  110   HD22  LEU  17          HD22      LEU  17  29.104  19.157  32.846
  111   HD23  LEU  17          HD23      LEU  17  29.626  18.448  31.375
  112    H    LYS  18           H        LYS  18  31.390  23.698  34.677
  113    HA   LYS  18           HA       LYS  18  30.000  23.377  37.322
  114    HB2  LYS  18           HB2      LYS  18  31.946  25.379  36.074
  115    HB3  LYS  18           HB3      LYS  18  30.963  25.681  37.507
  116    HG2  LYS  18           HG2      LYS  18  32.953  25.143  38.436
  117    HG3  LYS  18           HG3      LYS  18  32.166  23.575  38.564
  118    HD2  LYS  18           HD2      LYS  18  33.343  23.040  36.270
  119    HD3  LYS  18           HD3      LYS  18  34.175  24.521  36.407
  120    HE2  LYS  18           HE2      LYS  18  34.271  22.143  38.235
  121    HE3  LYS  18           HE3      LYS  18  35.588  22.760  37.218
  122    HZ1  LYS  18           HZ1      LYS  18  35.818  24.703  38.686
  123    HZ2  LYS  18           HZ2      LYS  18  34.607  24.216  39.629
  124    HZ3  LYS  18           HZ3      LYS  18  35.936  23.326  39.559
  125    H    GLU  19           H        GLU  19  29.695  24.898  34.160
  126    HA   GLU  19           HA       GLU  19  27.322  26.375  34.775
  127    HB2  GLU  19           HB2      GLU  19  29.041  25.630  32.495
  128    HB3  GLU  19           HB3      GLU  19  27.414  25.266  32.048
  129    HG2  GLU  19           HG2      GLU  19  26.822  27.625  32.869
  130    HG3  GLU  19           HG3      GLU  19  28.457  27.840  33.474
  131    H    LYS  20           H        LYS  20  27.750  23.087  33.682
  132    HA   LYS  20           HA       LYS  20  24.915  22.717  33.364
  133    HB2  LYS  20           HB2      LYS  20  27.158  20.769  33.764
  134    HB3  LYS  20           HB3      LYS  20  25.612  20.158  33.397
  135    HG2  LYS  20           HG2      LYS  20  27.301  21.561  31.323
  136    HG3  LYS  20           HG3      LYS  20  26.605  20.004  31.350
  137    HD2  LYS  20           HD2      LYS  20  24.379  21.013  31.217
  138    HD3  LYS  20           HD3      LYS  20  25.062  22.601  30.846
  139    HE2  LYS  20           HE2      LYS  20  25.246  19.948  29.352
  140    HE3  LYS  20           HE3      LYS  20  24.417  21.379  28.865
  141    HZ1  LYS  20           HZ1      LYS  20  26.565  22.523  28.618
  142    HZ2  LYS  20           HZ2      LYS  20  27.369  21.165  29.227
  143    HZ3  LYS  20           HZ3      LYS  20  26.655  21.157  27.895
  144    H    LYS  21           H        LYS  21  26.920  22.846  36.138
  145    HA   LYS  21           HA       LYS  21  25.042  21.351  37.975
  146    HB2  LYS  21           HB2      LYS  21  27.783  22.461  38.568
  147    HB3  LYS  21           HB3      LYS  21  26.686  21.837  39.672
  148    HG2  LYS  21           HG2      LYS  21  26.568  19.675  38.840
  149    HG3  LYS  21           HG3      LYS  21  27.383  20.130  37.306
  150    HD2  LYS  21           HD2      LYS  21  29.484  20.522  38.603
  151    HD3  LYS  21           HD3      LYS  21  28.613  20.115  40.091
  152    HE2  LYS  21           HE2      LYS  21  29.074  18.335  37.651
  153    HE3  LYS  21           HE3      LYS  21  30.181  18.374  39.161
  154    HZ1  LYS  21           HZ1      LYS  21  28.567  16.481  39.019
  155    HZ2  LYS  21           HZ2      LYS  21  28.322  17.386  40.333
  156    HZ3  LYS  21           HZ3      LYS  21  27.332  17.582  39.224
  157    H    GLU  22           H        GLU  22  25.723  24.554  36.860
  158    HA   GLU  22           HA       GLU  22  24.815  26.089  39.200
  159    HB2  GLU  22           HB2      GLU  22  26.757  26.689  38.126
  160    HB3  GLU  22           HB3      GLU  22  26.064  26.874  36.603
  161    HG2  GLU  22           HG2      GLU  22  24.593  28.729  37.480
  162    HG3  GLU  22           HG3      GLU  22  25.243  28.580  39.087
  163    H    VAL  23           H        VAL  23  24.018  25.642  35.744
  164    HA   VAL  23           HA       VAL  23  21.482  26.754  35.761
  165    HB   VAL  23           HB       VAL  23  23.074  26.043  33.831
  166   HG11  VAL  23          HG11      VAL  23  22.568  23.932  32.568
  167   HG12  VAL  23          HG12      VAL  23  23.211  23.542  34.222
  168   HG13  VAL  23          HG13      VAL  23  21.474  23.528  33.802
  169   HG21  VAL  23          HG21      VAL  23  20.805  27.013  33.376
  170   HG22  VAL  23          HG22      VAL  23  21.105  25.630  32.225
  171   HG23  VAL  23          HG23      VAL  23  20.175  25.331  33.644
  172    H    VAL  24           H        VAL  24  22.791  23.566  36.620
  173    HA   VAL  24           HA       VAL  24  19.992  22.512  36.703
  174    HB   VAL  24           HB       VAL  24  21.929  21.173  35.964
  175   HG11  VAL  24          HG11      VAL  24  23.250  20.016  37.627
  176   HG12  VAL  24          HG12      VAL  24  22.912  21.541  38.611
  177   HG13  VAL  24          HG13      VAL  24  22.009  20.125  38.910
  178   HG21  VAL  24          HG21      VAL  24  20.990  18.992  36.538
  179   HG22  VAL  24          HG22      VAL  24  19.874  19.773  37.629
  180   HG23  VAL  24          HG23      VAL  24  19.819  20.026  35.981
  181    H    GLU  25           H        GLU  25  22.054  23.864  39.104
  182    HA   GLU  25           HA       GLU  25  20.290  23.417  41.456
  183    HB2  GLU  25           HB2      GLU  25  22.723  25.022  40.830
  184    HB3  GLU  25           HB3      GLU  25  21.716  25.321  42.322
  185    HG2  GLU  25           HG2      GLU  25  23.013  22.739  41.389
  186    HG3  GLU  25           HG3      GLU  25  23.736  23.801  42.455
  187    H    GLU  26           H        GLU  26  20.564  25.877  38.963
  188    HA   GLU  26           HA       GLU  26  18.569  27.445  40.300
  189    HB2  GLU  26           HB2      GLU  26  19.318  27.222  37.381
  190    HB3  GLU  26           HB3      GLU  26  18.101  28.345  37.762
  191    HG2  GLU  26           HG2      GLU  26  20.895  28.703  38.709
  192    HG3  GLU  26           HG3      GLU  26  19.979  29.702  37.741
  193    H    ALA  27           H        ALA  27  18.182  24.499  38.197
  194    HA   ALA  27           HA       ALA  27  15.381  24.675  37.712
  195    HB1  ALA  27           HB1      ALA  27  16.894  22.070  38.094
  196    HB2  ALA  27           HB2      ALA  27  15.535  22.717  36.921
  197    HB3  ALA  27           HB3      ALA  27  17.153  22.989  36.677
  198    H    GLU  28           H        GLU  28  16.980  23.413  40.537
  199    HA   GLU  28           HA       GLU  28  14.419  23.234  41.989
  200    HB2  GLU  28           HB2      GLU  28  16.616  21.561  42.313
  201    HB3  GLU  28           HB3      GLU  28  16.650  22.491  43.720
  202    HG2  GLU  28           HG2      GLU  28  14.308  22.098  44.391
  203    HG3  GLU  28           HG3      GLU  28  14.086  21.118  42.914
  204    H    ASN  29           H        ASN  29  16.530  25.670  41.628
  205    HA   ASN  29           HA       ASN  29  16.094  26.988  44.233
  206    HB2  ASN  29           HB2      ASN  29  17.785  27.671  42.296
  207    HB3  ASN  29           HB3      ASN  29  16.463  28.214  41.443
  208   HD21  ASN  29          HD22      ASN  29  17.775  30.348  41.562
  209   HD22  ASN  29          HD21      ASN  29  17.758  31.403  42.994
  Start of MODEL   17
    1    H1   ACE   1          HH32      ACE   1  43.072  17.497  14.401
    2    H2   ACE   1          HH33      ACE   1  43.008  18.934  15.432
    3    H3   ACE   1          HH31      ACE   1  42.440  17.358  16.058
    4    H    SER   2           H        SER   2  40.516  16.465  15.426
    5    HA   SER   2           HA       SER   2  38.740  17.652  13.356
    6    HB2  SER   2           HB2      SER   2  38.404  15.533  15.382
    7    HB3  SER   2           HB3      SER   2  37.155  15.966  14.139
    8    HG   SER   2           HG       SER   2  38.506  14.155  13.568
    9    H    ASP   3           H        ASP   3  38.865  17.730  16.786
   10    HA   ASP   3           HA       ASP   3  36.549  19.351  17.506
   11    HB2  ASP   3           HB2      ASP   3  38.259  17.956  18.964
   12    HB3  ASP   3           HB3      ASP   3  39.365  19.252  18.717
   13    H    ALA   4           H        ALA   4  39.263  20.426  15.659
   14    HA   ALA   4           HA       ALA   4  39.141  23.180  16.367
   15    HB1  ALA   4           HB1      ALA   4  39.527  22.125  13.501
   16    HB2  ALA   4           HB2      ALA   4  40.170  23.595  14.158
   17    HB3  ALA   4           HB3      ALA   4  40.714  22.056  14.826
   18    H    ALA   5           H        ALA   5  36.874  21.185  14.419
   19    HA   ALA   5           HA       ALA   5  35.346  23.409  13.250
   20    HB1  ALA   5           HB1      ALA   5  34.943  20.398  13.510
   21    HB2  ALA   5           HB2      ALA   5  33.987  21.508  12.491
   22    HB3  ALA   5           HB3      ALA   5  35.787  21.255  12.220
   23    H    VAL   6           H        VAL   6  35.644  22.684  16.365
   24    HA   VAL   6           HA       VAL   6  32.918  23.449  16.980
   25    HB   VAL   6           HB       VAL   6  34.305  21.583  18.891
   26   HG11  VAL   6          HG11      VAL   6  31.379  22.294  18.391
   27   HG12  VAL   6          HG12      VAL   6  31.834  21.023  19.503
   28   HG13  VAL   6          HG13      VAL   6  32.389  22.668  19.822
   29   HG21  VAL   6          HG21      VAL   6  32.617  20.460  16.624
   30   HG22  VAL   6          HG22      VAL   6  34.304  20.016  17.137
   31   HG23  VAL   6          HG23      VAL   6  32.940  19.614  18.184
   32    H    ASP   7           H        ASP   7  35.742  24.572  16.833
   33    HA   ASP   7           HA       ASP   7  37.131  25.973  17.821
   34    HB2  ASP   7           HB2      ASP   7  35.148  27.362  17.843
   35    HB3  ASP   7           HB3      ASP   7  34.806  26.749  19.467
   36    H    THR   8           H        THR   8  37.807  23.482  18.595
   37    HA   THR   8           HA       THR   8  38.593  22.110  20.365
   38    HB   THR   8           HB       THR   8  39.602  24.776  21.237
   39    HG1  THR   8           HG1      THR   8  39.997  24.992  19.221
   40   HG21  THR   8          HG21      THR   8  40.907  22.007  21.101
   41   HG22  THR   8          HG22      THR   8  41.834  23.591  21.404
   42   HG23  THR   8          HG23      THR   8  40.730  23.003  22.543
   43    H    SER   9           H        SER   9  36.339  22.095  20.981
   44    HA   SER   9           HA       SER   9  35.380  23.358  23.434
   45    HB2  SER   9           HB2      SER   9  33.557  21.699  23.305
   46    HB3  SER   9           HB3      SER   9  33.887  22.322  21.667
   47    HG   SER   9           HG       SER   9  35.277  20.552  21.370
   48    H    SER  10           H        SER  10  37.580  20.632  23.004
   49    HA   SER  10           HA       SER  10  37.070  19.193  25.492
   50    HB2  SER  10           HB2      SER  10  39.395  19.315  23.541
   51    HB3  SER  10           HB3      SER  10  39.058  17.990  24.774
   52    HG   SER  10           HG       SER  10  37.667  18.588  22.431
   53    H    GLU  11           H        GLU  11  38.571  22.303  24.807
   54    HA   GLU  11           HA       GLU  11  40.350  21.973  27.042
   55    HB2  GLU  11           HB2      GLU  11  40.836  23.095  24.687
   56    HB3  GLU  11           HB3      GLU  11  39.564  24.192  25.117
   57    HG2  GLU  11           HG2      GLU  11  41.005  24.908  27.092
   58    HG3  GLU  11           HG3      GLU  11  42.222  23.819  26.395
   59    H    ILE  12           H        ILE  12  37.218  23.427  26.225
   60    HA   ILE  12           HA       ILE  12  37.240  25.115  28.636
   61    HB   ILE  12           HB       ILE  12  35.409  26.267  27.964
   62   HG12  ILE  12          HG12      ILE  12  35.252  24.846  25.233
   63   HG13  ILE  12          HG13      ILE  12  34.455  24.059  26.491
   64   HG21  ILE  12          HG21      ILE  12  37.040  25.927  25.472
   65   HG22  ILE  12          HG22      ILE  12  36.241  27.328  25.830
   66   HG23  ILE  12          HG23      ILE  12  37.676  26.852  26.824
   67   HD11  ILE  12          HD11      ILE  12  32.994  26.092  26.721
   68   HD12  ILE  12          HD12      ILE  12  33.903  26.929  25.405
   69   HD13  ILE  12          HD13      ILE  12  32.941  25.397  25.149
   70    H    THR  13           H        THR  13  36.142  22.074  27.785
   71    HA   THR  13           HA       THR  13  33.646  21.766  28.718
   72    HB   THR  13           HB       THR  13  34.870  20.031  27.535
   73    HG1  THR  13           HG1      THR  13  33.097  19.494  28.754
   74   HG21  THR  13          HG21      THR  13  36.995  20.493  28.771
   75   HG22  THR  13          HG22      THR  13  36.469  19.418  30.105
   76   HG23  THR  13          HG23      THR  13  36.667  18.817  28.446
   77    H    THR  14           H        THR  14  36.220  22.238  30.955
   78    HA   THR  14           HA       THR  14  34.690  21.306  33.360
   79    HB   THR  14           HB       THR  14  37.064  23.198  33.521
   80    HG1  THR  14           HG1      THR  14  38.089  21.542  32.483
   81   HG21  THR  14          HG21      THR  14  35.611  21.336  35.255
   82   HG22  THR  14          HG22      THR  14  37.344  21.982  35.489
   83   HG23  THR  14          HG23      THR  14  35.897  23.040  35.434
   84    H    LYS  15           H        LYS  15  35.230  24.196  31.583
   85    HA   LYS  15           HA       LYS  15  33.911  26.041  33.413
   86    HB2  LYS  15           HB2      LYS  15  34.829  26.476  30.625
   87    HB3  LYS  15           HB3      LYS  15  34.059  27.636  31.533
   88    HG2  LYS  15           HG2      LYS  15  36.042  27.407  33.232
   89    HG3  LYS  15           HG3      LYS  15  36.684  26.150  32.262
   90    HD2  LYS  15           HD2      LYS  15  36.785  27.814  30.230
   91    HD3  LYS  15           HD3      LYS  15  35.977  29.055  31.221
   92    HE2  LYS  15           HE2      LYS  15  37.807  29.036  32.812
   93    HE3  LYS  15           HE3      LYS  15  38.397  27.513  31.951
   94    HZ1  LYS  15           HZ1      LYS  15  38.827  29.065  29.966
   95    HZ2  LYS  15           HZ2      LYS  15  38.480  30.298  30.825
   96    HZ3  LYS  15           HZ3      LYS  15  39.707  29.519  31.326
   97    H    ASP  16           H        ASP  16  33.082  23.948  30.877
   98    HA   ASP  16           HA       ASP  16  30.319  24.809  30.453
   99    HB2  ASP  16           HB2      ASP  16  31.633  23.618  28.660
  100    HB3  ASP  16           HB3      ASP  16  31.615  22.145  29.614
  101    H    LEU  17           H        LEU  17  31.975  22.327  32.295
  102    HA   LEU  17           HA       LEU  17  29.376  21.266  33.280
  103    HB2  LEU  17           HB2      LEU  17  32.285  20.756  33.868
  104    HB3  LEU  17           HB3      LEU  17  30.912  19.963  34.821
  105    HG   LEU  17           HG       LEU  17  31.072  19.852  31.687
  106   HD11  LEU  17          HD11      LEU  17  33.343  19.092  32.240
  107   HD12  LEU  17          HD12      LEU  17  32.848  18.381  33.739
  108   HD13  LEU  17          HD13      LEU  17  32.405  17.612  32.208
  109   HD21  LEU  17          HD21      LEU  17  30.044  17.631  32.297
  110   HD22  LEU  17          HD22      LEU  17  30.190  18.121  34.039
  111   HD23  LEU  17          HD23      LEU  17  29.077  18.910  32.960
  112    H    LYS  18           H        LYS  18  31.471  23.806  34.369
  113    HA   LYS  18           HA       LYS  18  29.935  23.965  36.934
  114    HB2  LYS  18           HB2      LYS  18  31.978  25.621  35.460
  115    HB3  LYS  18           HB3      LYS  18  30.892  26.481  36.573
  116    HG2  LYS  18           HG2      LYS  18  32.825  26.006  37.808
  117    HG3  LYS  18           HG3      LYS  18  31.600  24.854  38.311
  118    HD2  LYS  18           HD2      LYS  18  32.785  23.185  36.668
  119    HD3  LYS  18           HD3      LYS  18  33.825  24.327  36.232
  120    HE2  LYS  18           HE2      LYS  18  33.860  23.222  39.059
  121    HE3  LYS  18           HE3      LYS  18  35.042  22.940  37.814
  122    HZ1  LYS  18           HZ1      LYS  18  35.954  24.678  39.233
  123    HZ2  LYS  18           HZ2      LYS  18  35.513  25.329  37.807
  124    HZ3  LYS  18           HZ3      LYS  18  34.548  25.450  39.151
  125    H    GLU  19           H        GLU  19  29.494  24.972  33.597
  126    HA   GLU  19           HA       GLU  19  27.182  26.694  34.104
  127    HB2  GLU  19           HB2      GLU  19  28.601  26.047  31.961
  128    HB3  GLU  19           HB3      GLU  19  27.396  24.942  31.626
  129    HG2  GLU  19           HG2      GLU  19  25.721  26.770  31.795
  130    HG3  GLU  19           HG3      GLU  19  27.017  27.854  32.379
  131    H    LYS  20           H        LYS  20  27.602  23.214  33.361
  132    HA   LYS  20           HA       LYS  20  24.829  22.569  33.323
  133    HB2  LYS  20           HB2      LYS  20  27.230  20.617  33.553
  134    HB3  LYS  20           HB3      LYS  20  25.604  20.187  33.555
  135    HG2  LYS  20           HG2      LYS  20  26.981  21.810  31.462
  136    HG3  LYS  20           HG3      LYS  20  26.995  19.982  31.515
  137    HD2  LYS  20           HD2      LYS  20  24.518  19.930  30.975
  138    HD3  LYS  20           HD3      LYS  20  24.362  21.661  31.183
  139    HE2  LYS  20           HE2      LYS  20  25.877  20.073  29.076
  140    HE3  LYS  20           HE3      LYS  20  24.487  21.122  28.794
  141    HZ1  LYS  20           HZ1      LYS  20  26.364  22.192  28.017
  142    HZ2  LYS  20           HZ2      LYS  20  26.036  22.963  29.367
  143    HZ3  LYS  20           HZ3      LYS  20  27.257  21.954  29.371
  144    H    LYS  21           H        LYS  21  27.108  22.772  36.021
  145    HA   LYS  21           HA       LYS  21  25.376  21.246  38.034
  146    HB2  LYS  21           HB2      LYS  21  28.128  22.638  38.209
  147    HB3  LYS  21           HB3      LYS  21  27.352  22.064  39.582
  148    HG2  LYS  21           HG2      LYS  21  27.185  19.890  38.742
  149    HG3  LYS  21           HG3      LYS  21  27.956  20.340  37.109
  150    HD2  LYS  21           HD2      LYS  21  30.047  20.812  38.435
  151    HD3  LYS  21           HD3      LYS  21  29.246  20.395  40.001
  152    HE2  LYS  21           HE2      LYS  21  29.601  18.297  37.835
  153    HE3  LYS  21           HE3      LYS  21  30.655  18.621  39.238
  154    HZ1  LYS  21           HZ1      LYS  21  27.846  18.069  39.641
  155    HZ2  LYS  21           HZ2      LYS  21  28.894  16.910  39.491
  156    HZ3  LYS  21           HZ3      LYS  21  29.158  18.134  40.653
  157    H    GLU  22           H        GLU  22  25.677  24.278  36.979
  158    HA   GLU  22           HA       GLU  22  24.794  25.626  39.555
  159    HB2  GLU  22           HB2      GLU  22  26.762  26.620  38.571
  160    HB3  GLU  22           HB3      GLU  22  25.911  26.731  37.036
  161    HG2  GLU  22           HG2      GLU  22  24.261  28.349  38.128
  162    HG3  GLU  22           HG3      GLU  22  25.113  28.278  39.631
  163    H    VAL  23           H        VAL  23  24.148  25.466  35.988
  164    HA   VAL  23           HA       VAL  23  21.435  26.392  36.124
  165    HB   VAL  23           HB       VAL  23  23.081  25.808  34.169
  166   HG11  VAL  23          HG11      VAL  23  22.505  23.772  32.812
  167   HG12  VAL  23          HG12      VAL  23  23.114  23.376  34.417
  168   HG13  VAL  23          HG13      VAL  23  21.355  23.268  34.104
  169   HG21  VAL  23          HG21      VAL  23  20.916  26.988  33.794
  170   HG22  VAL  23          HG22      VAL  23  20.943  25.696  32.653
  171   HG23  VAL  23          HG23      VAL  23  20.084  25.416  34.194
  172    H    VAL  24           H        VAL  24  22.843  23.279  36.825
  173    HA   VAL  24           HA       VAL  24  20.106  22.236  36.632
  174    HB   VAL  24           HB       VAL  24  22.159  20.872  36.134
  175   HG11  VAL  24          HG11      VAL  24  23.220  19.559  37.858
  176   HG12  VAL  24          HG12      VAL  24  23.057  21.192  38.669
  177   HG13  VAL  24          HG13      VAL  24  21.924  19.916  38.997
  178   HG21  VAL  24          HG21      VAL  24  19.892  19.507  37.570
  179   HG22  VAL  24          HG22      VAL  24  20.164  19.978  35.805
  180   HG23  VAL  24          HG23      VAL  24  21.153  18.819  36.571
  181    H    GLU  25           H        GLU  25  22.140  23.292  39.304
  182    HA   GLU  25           HA       GLU  25  20.069  22.552  41.238
  183    HB2  GLU  25           HB2      GLU  25  22.563  24.210  41.299
  184    HB3  GLU  25           HB3      GLU  25  21.391  24.217  42.664
  185    HG2  GLU  25           HG2      GLU  25  22.709  21.654  41.492
  186    HG3  GLU  25           HG3      GLU  25  23.642  22.631  42.544
  187    H    GLU  26           H        GLU  26  20.884  25.604  39.495
  188    HA   GLU  26           HA       GLU  26  18.979  27.147  40.768
  189    HB2  GLU  26           HB2      GLU  26  20.254  27.266  37.965
  190    HB3  GLU  26           HB3      GLU  26  19.167  28.489  38.509
  191    HG2  GLU  26           HG2      GLU  26  21.644  27.889  39.920
  192    HG3  GLU  26           HG3      GLU  26  21.285  29.237  38.793
  193    H    ALA  27           H        ALA  27  18.459  24.745  38.140
  194    HA   ALA  27           HA       ALA  27  15.765  25.406  37.552
  195    HB1  ALA  27           HB1      ALA  27  17.264  22.773  37.576
  196    HB2  ALA  27           HB2      ALA  27  15.606  23.053  36.785
  197    HB3  ALA  27           HB3      ALA  27  17.158  23.719  36.122
  198    H    GLU  28           H        GLU  28  17.102  23.664  40.340
  199    HA   GLU  28           HA       GLU  28  14.564  23.054  41.549
  200    HB2  GLU  28           HB2      GLU  28  17.284  23.212  42.755
  201    HB3  GLU  28           HB3      GLU  28  15.885  22.477  43.495
  202    HG2  GLU  28           HG2      GLU  28  16.851  21.339  40.831
  203    HG3  GLU  28           HG3      GLU  28  17.564  20.784  42.395
  204    H    ASN  29           H        ASN  29  16.331  26.132  41.513
  205    HA   ASN  29           HA       ASN  29  15.871  27.031  44.266
  206    HB2  ASN  29           HB2      ASN  29  17.906  27.335  42.906
  207    HB3  ASN  29           HB3      ASN  29  17.037  28.491  41.878
  208   HD21  ASN  29          HD22      ASN  29  18.994  29.489  42.716
  209   HD22  ASN  29          HD21      ASN  29  18.871  30.454  44.231
  Start of MODEL   18
    1    H1   ACE   1          HH32      ACE   1  38.251  18.270  12.556
    2    H2   ACE   1          HH33      ACE   1  38.402  17.600  14.156
    3    H3   ACE   1          HH31      ACE   1  37.791  16.633  12.714
    4    H    SER   2           H        SER   2  35.835  16.329  14.119
    5    HA   SER   2           HA       SER   2  33.929  18.284  13.580
    6    HB2  SER   2           HB2      SER   2  33.409  16.097  15.706
    7    HB3  SER   2           HB3      SER   2  32.323  16.729  14.646
    8    HG   SER   2           HG       SER   2  34.525  15.118  13.812
    9    H    ASP   3           H        ASP   3  35.913  18.616  16.128
   10    HA   ASP   3           HA       ASP   3  33.859  20.122  17.755
   11    HB2  ASP   3           HB2      ASP   3  35.711  18.686  18.830
   12    HB3  ASP   3           HB3      ASP   3  36.923  19.871  18.252
   13    H    ALA   4           H        ALA   4  35.471  20.882  14.912
   14    HA   ALA   4           HA       ALA   4  36.204  23.672  15.446
   15    HB1  ALA   4           HB1      ALA   4  37.094  22.147  13.750
   16    HB2  ALA   4           HB2      ALA   4  35.450  22.176  12.906
   17    HB3  ALA   4           HB3      ALA   4  36.316  23.663  13.046
   18    H    ALA   5           H        ALA   5  33.435  22.095  14.018
   19    HA   ALA   5           HA       ALA   5  31.686  24.338  13.912
   20    HB1  ALA   5           HB1      ALA   5  31.004  21.448  13.699
   21    HB2  ALA   5           HB2      ALA   5  29.982  22.647  13.448
   22    HB3  ALA   5           HB3      ALA   5  31.353  22.692  12.345
   23    H    VAL   6           H        VAL   6  32.763  22.817  16.791
   24    HA   VAL   6           HA       VAL   6  30.490  24.306  18.083
   25    HB   VAL   6           HB       VAL   6  31.959  21.865  19.305
   26   HG11  VAL   6          HG11      VAL   6  29.889  21.905  20.762
   27   HG12  VAL   6          HG12      VAL   6  31.151  23.107  21.056
   28   HG13  VAL   6          HG13      VAL   6  29.608  23.524  20.343
   29   HG21  VAL   6          HG21      VAL   6  29.235  21.943  17.853
   30   HG22  VAL   6          HG22      VAL   6  30.613  20.862  17.372
   31   HG23  VAL   6          HG23      VAL   6  29.658  20.592  18.838
   32    H    ASP   7           H        ASP   7  33.532  24.951  17.241
   33    HA   ASP   7           HA       ASP   7  35.264  26.023  17.851
   34    HB2  ASP   7           HB2      ASP   7  33.244  27.702  18.205
   35    HB3  ASP   7           HB3      ASP   7  33.749  27.676  19.910
   36    H    THR   8           H        THR   8  35.786  23.780  18.801
   37    HA   THR   8           HA       THR   8  37.161  22.629  20.164
   38    HB   THR   8           HB       THR   8  38.481  24.990  21.259
   39    HG1  THR   8           HG1      THR   8  38.317  25.241  18.932
   40   HG21  THR   8          HG21      THR   8  39.545  22.286  20.473
   41   HG22  THR   8          HG22      THR   8  40.350  23.464  21.300
   42   HG23  THR   8          HG23      THR   8  39.120  22.631  22.157
   43    H    SER   9           H        SER   9  34.697  22.699  21.083
   44    HA   SER   9           HA       SER   9  34.355  23.637  23.736
   45    HB2  SER   9           HB2      SER   9  32.618  21.897  23.988
   46    HB3  SER   9           HB3      SER   9  32.511  22.881  22.472
   47    HG   SER   9           HG       SER   9  33.545  21.109  21.377
   48    H    SER  10           H        SER  10  35.771  20.623  22.672
   49    HA   SER  10           HA       SER  10  36.295  19.324  25.076
   50    HB2  SER  10           HB2      SER  10  38.192  19.150  22.754
   51    HB3  SER  10           HB3      SER  10  37.811  18.030  23.943
   52    HG   SER  10           HG       SER  10  36.353  19.007  21.737
   53    H    GLU  11           H        GLU  11  37.487  22.397  24.540
   54    HA   GLU  11           HA       GLU  11  39.716  21.828  26.495
   55    HB2  GLU  11           HB2      GLU  11  39.682  23.697  24.049
   56    HB3  GLU  11           HB3      GLU  11  40.677  24.046  25.487
   57    HG2  GLU  11           HG2      GLU  11  41.437  21.630  25.225
   58    HG3  GLU  11           HG3      GLU  11  41.039  21.749  23.581
   59    H    ILE  12           H        ILE  12  36.757  23.629  25.970
   60    HA   ILE  12           HA       ILE  12  37.181  25.052  28.488
   61    HB   ILE  12           HB       ILE  12  35.041  26.217  27.990
   62   HG12  ILE  12          HG12      ILE  12  35.156  24.836  25.314
   63   HG13  ILE  12          HG13      ILE  12  34.060  24.423  26.674
   64   HG21  ILE  12          HG21      ILE  12  36.818  26.627  25.642
   65   HG22  ILE  12          HG22      ILE  12  35.852  27.823  26.578
   66   HG23  ILE  12          HG23      ILE  12  37.331  26.971  27.220
   67   HD11  ILE  12          HD11      ILE  12  33.858  27.256  25.506
   68   HD12  ILE  12          HD12      ILE  12  32.918  25.768  25.035
   69   HD13  ILE  12          HD13      ILE  12  32.915  26.285  26.672
   70    H    THR  13           H        THR  13  35.622  22.249  27.336
   71    HA   THR  13           HA       THR  13  33.266  21.945  28.549
   72    HB   THR  13           HB       THR  13  34.182  20.345  27.154
   73    HG1  THR  13           HG1      THR  13  32.802  19.494  28.785
   74   HG21  THR  13          HG21      THR  13  36.077  18.666  27.797
   75   HG22  THR  13          HG22      THR  13  36.571  20.326  27.533
   76   HG23  THR  13          HG23      THR  13  36.457  19.754  29.227
   77    H    THR  14           H        THR  14  36.192  21.885  30.590
   78    HA   THR  14           HA       THR  14  34.756  21.058  32.777
   79    HB   THR  14           HB       THR  14  37.140  22.916  32.787
   80    HG1  THR  14           HG1      THR  14  37.646  21.023  31.868
   81   HG21  THR  14          HG21      THR  14  36.882  20.909  34.965
   82   HG22  THR  14          HG22      THR  14  37.139  22.619  35.115
   83   HG23  THR  14          HG23      THR  14  35.453  21.878  34.930
   84    H    LYS  15           H        LYS  15  35.320  24.340  31.570
   85    HA   LYS  15           HA       LYS  15  33.987  25.721  33.672
   86    HB2  LYS  15           HB2      LYS  15  34.563  26.425  30.788
   87    HB3  LYS  15           HB3      LYS  15  33.744  27.571  31.844
   88    HG2  LYS  15           HG2      LYS  15  35.748  27.779  33.093
   89    HG3  LYS  15           HG3      LYS  15  36.581  26.385  32.333
   90    HD2  LYS  15           HD2      LYS  15  36.377  27.686  30.108
   91    HD3  LYS  15           HD3      LYS  15  36.005  29.050  31.230
   92    HE2  LYS  15           HE2      LYS  15  38.339  28.701  32.198
   93    HE3  LYS  15           HE3      LYS  15  38.583  27.387  31.146
   94    HZ1  LYS  15           HZ1      LYS  15  38.456  30.296  30.595
   95    HZ2  LYS  15           HZ2      LYS  15  39.537  29.082  30.352
   96    HZ3  LYS  15           HZ3      LYS  15  38.362  29.176  29.331
   97    H    ASP  16           H        ASP  16  32.954  24.227  30.664
   98    HA   ASP  16           HA       ASP  16  30.286  25.076  30.631
   99    HB2  ASP  16           HB2      ASP  16  31.414  23.980  28.663
  100    HB3  ASP  16           HB3      ASP  16  31.353  22.437  29.597
  101    H    LEU  17           H        LEU  17  32.026  22.375  32.506
  102    HA   LEU  17           HA       LEU  17  29.440  21.343  33.040
  103    HB2  LEU  17           HB2      LEU  17  32.265  20.482  33.627
  104    HB3  LEU  17           HB3      LEU  17  31.100  19.614  34.511
  105    HG   LEU  17           HG       LEU  17  30.531  19.724  31.677
  106   HD11  LEU  17          HD11      LEU  17  32.711  18.824  31.419
  107   HD12  LEU  17          HD12      LEU  17  32.611  17.735  32.902
  108   HD13  LEU  17          HD13      LEU  17  31.696  17.415  31.436
  109   HD21  LEU  17          HD21      LEU  17  30.120  17.398  33.689
  110   HD22  LEU  17          HD22      LEU  17  28.950  18.742  33.324
  111   HD23  LEU  17          HD23      LEU  17  29.484  17.646  32.078
  112    H    LYS  18           H        LYS  18  31.503  23.597  34.673
  113    HA   LYS  18           HA       LYS  18  29.989  23.548  37.240
  114    HB2  LYS  18           HB2      LYS  18  31.756  25.821  36.170
  115    HB3  LYS  18           HB3      LYS  18  30.864  25.899  37.605
  116    HG2  LYS  18           HG2      LYS  18  33.040  25.235  38.372
  117    HG3  LYS  18           HG3      LYS  18  32.037  23.772  38.404
  118    HD2  LYS  18           HD2      LYS  18  33.280  23.064  36.339
  119    HD3  LYS  18           HD3      LYS  18  34.065  24.617  36.239
  120    HE2  LYS  18           HE2      LYS  18  34.620  22.564  38.247
  121    HE3  LYS  18           HE3      LYS  18  35.716  23.211  36.962
  122    HZ1  LYS  18           HZ1      LYS  18  35.656  25.309  38.396
  123    HZ2  LYS  18           HZ2      LYS  18  34.788  24.347  39.455
  124    HZ3  LYS  18           HZ3      LYS  18  36.233  23.885  39.187
  125    H    GLU  19           H        GLU  19  29.542  24.775  34.062
  126    HA   GLU  19           HA       GLU  19  27.196  26.429  34.725
  127    HB2  GLU  19           HB2      GLU  19  28.292  25.609  32.055
  128    HB3  GLU  19           HB3      GLU  19  26.649  26.346  32.196
  129    HG2  GLU  19           HG2      GLU  19  27.595  28.358  33.262
  130    HG3  GLU  19           HG3      GLU  19  29.201  27.730  33.062
  131    H    LYS  20           H        LYS  20  27.684  23.121  33.389
  132    HA   LYS  20           HA       LYS  20  24.975  22.483  33.484
  133    HB2  LYS  20           HB2      LYS  20  27.408  20.727  33.853
  134    HB3  LYS  20           HB3      LYS  20  25.807  20.151  33.770
  135    HG2  LYS  20           HG2      LYS  20  27.464  21.634  31.597
  136    HG3  LYS  20           HG3      LYS  20  26.932  19.942  31.611
  137    HD2  LYS  20           HD2      LYS  20  24.560  20.606  31.338
  138    HD3  LYS  20           HD3      LYS  20  25.148  22.309  31.170
  139    HE2  LYS  20           HE2      LYS  20  26.160  20.101  29.473
  140    HE3  LYS  20           HE3      LYS  20  24.648  20.828  29.053
  141    HZ1  LYS  20           HZ1      LYS  20  26.052  22.935  28.811
  142    HZ2  LYS  20           HZ2      LYS  20  27.285  21.897  29.101
  143    HZ3  LYS  20           HZ3      LYS  20  26.209  21.787  27.800
  144    H    LYS  21           H        LYS  21  27.073  23.021  36.138
  145    HA   LYS  21           HA       LYS  21  25.508  21.401  37.999
  146    HB2  LYS  21           HB2      LYS  21  28.195  22.661  38.242
  147    HB3  LYS  21           HB3      LYS  21  27.346  22.141  39.667
  148    HG2  LYS  21           HG2      LYS  21  26.930  19.871  38.312
  149    HG3  LYS  21           HG3      LYS  21  28.273  20.550  37.337
  150    HD2  LYS  21           HD2      LYS  21  29.637  20.735  39.374
  151    HD3  LYS  21           HD3      LYS  21  28.331  19.845  40.263
  152    HE2  LYS  21           HE2      LYS  21  28.518  18.026  38.763
  153    HE3  LYS  21           HE3      LYS  21  29.921  18.622  37.961
  154    HZ1  LYS  21           HZ1      LYS  21  30.965  18.666  40.365
  155    HZ2  LYS  21           HZ2      LYS  21  29.796  17.626  40.729
  156    HZ3  LYS  21           HZ3      LYS  21  30.859  17.261  39.541
  157    H    GLU  22           H        GLU  22  25.637  24.343  36.805
  158    HA   GLU  22           HA       GLU  22  24.937  25.906  39.177
  159    HB2  GLU  22           HB2      GLU  22  26.728  27.046  38.074
  160    HB3  GLU  22           HB3      GLU  22  25.914  26.847  36.568
  161    HG2  GLU  22           HG2      GLU  22  24.095  28.527  37.561
  162    HG3  GLU  22           HG3      GLU  22  24.914  28.391  39.081
  163    H    VAL  23           H        VAL  23  24.010  25.761  35.762
  164    HA   VAL  23           HA       VAL  23  21.329  26.414  35.777
  165    HB   VAL  23           HB       VAL  23  22.954  25.690  33.858
  166   HG11  VAL  23          HG11      VAL  23  22.576  23.450  32.846
  167   HG12  VAL  23          HG12      VAL  23  23.348  23.318  34.470
  168   HG13  VAL  23          HG13      VAL  23  21.553  22.946  34.121
  169   HG21  VAL  23          HG21      VAL  23  20.577  26.415  33.699
  170   HG22  VAL  23          HG22      VAL  23  21.047  25.321  32.299
  171   HG23  VAL  23          HG23      VAL  23  20.079  24.670  33.559
  172    H    VAL  24           H        VAL  24  22.794  23.441  36.573
  173    HA   VAL  24           HA       VAL  24  20.215  22.028  36.744
  174    HB   VAL  24           HB       VAL  24  22.470  21.086  36.130
  175   HG11  VAL  24          HG11      VAL  24  23.481  19.904  38.026
  176   HG12  VAL  24          HG12      VAL  24  23.573  21.626  38.218
  177   HG13  VAL  24          HG13      VAL  24  22.503  20.787  39.275
  178   HG21  VAL  24          HG21      VAL  24  21.761  18.867  36.480
  179   HG22  VAL  24          HG22      VAL  24  20.623  19.335  37.834
  180   HG23  VAL  24          HG23      VAL  24  20.265  19.697  36.187
  181    H    GLU  25           H        GLU  25  22.100  23.642  39.133
  182    HA   GLU  25           HA       GLU  25  20.370  22.851  41.444
  183    HB2  GLU  25           HB2      GLU  25  22.630  24.903  41.230
  184    HB3  GLU  25           HB3      GLU  25  21.721  24.590  42.661
  185    HG2  GLU  25           HG2      GLU  25  23.031  22.231  41.367
  186    HG3  GLU  25           HG3      GLU  25  24.035  23.482  42.113
  187    H    GLU  26           H        GLU  26  20.769  25.604  39.399
  188    HA   GLU  26           HA       GLU  26  18.722  27.351  40.475
  189    HB2  GLU  26           HB2      GLU  26  19.707  27.216  37.588
  190    HB3  GLU  26           HB3      GLU  26  18.613  28.286  38.254
  191    HG2  GLU  26           HG2      GLU  26  21.562  28.237  38.680
  192    HG3  GLU  26           HG3      GLU  26  20.598  29.554  38.145
  193    H    ALA  27           H        ALA  27  18.423  24.709  38.160
  194    HA   ALA  27           HA       ALA  27  15.722  25.248  37.628
  195    HB1  ALA  27           HB1      ALA  27  17.059  22.489  37.649
  196    HB2  ALA  27           HB2      ALA  27  15.606  22.855  36.794
  197    HB3  ALA  27           HB3      ALA  27  17.210  23.676  36.324
  198    H    GLU  28           H        GLU  28  17.097  24.096  40.462
  199    HA   GLU  28           HA       GLU  28  14.601  23.168  41.667
  200    HB2  GLU  28           HB2      GLU  28  17.468  22.973  42.797
  201    HB3  GLU  28           HB3      GLU  28  16.016  22.525  43.626
  202    HG2  GLU  28           HG2      GLU  28  16.498  21.118  40.897
  203    HG3  GLU  28           HG3      GLU  28  17.372  20.601  42.280
  204    H    ASN  29           H        ASN  29  16.424  26.032  41.366
  205    HA   ASN  29           HA       ASN  29  15.993  27.244  43.973
  206    HB2  ASN  29           HB2      ASN  29  17.833  27.548  42.423
  207    HB3  ASN  29           HB3      ASN  29  16.722  28.486  41.342
  208   HD21  ASN  29          HD22      ASN  29  18.188  30.315  41.674
  209   HD22  ASN  29          HD21      ASN  29  17.978  31.324  43.107
  Start of MODEL   19
    1    H1   ACE   1          HH32      ACE   1  38.925  15.956  13.667
    2    H2   ACE   1          HH33      ACE   1  38.331  14.538  14.652
    3    H3   ACE   1          HH31      ACE   1  37.856  14.870  12.924
    4    H    SER   2           H        SER   2  35.691  14.555  14.367
    5    HA   SER   2           HA       SER   2  34.454  16.961  13.570
    6    HB2  SER   2           HB2      SER   2  33.000  15.038  15.531
    7    HB3  SER   2           HB3      SER   2  32.534  15.745  13.959
    8    HG   SER   2           HG       SER   2  32.981  13.612  13.488
    9    H    ASP   3           H        ASP   3  35.536  16.331  16.943
   10    HA   ASP   3           HA       ASP   3  33.975  18.589  17.960
   11    HB2  ASP   3           HB2      ASP   3  34.573  16.752  19.332
   12    HB3  ASP   3           HB3      ASP   3  36.317  17.075  19.086
   13    H    ALA   4           H        ALA   4  37.370  18.415  16.630
   14    HA   ALA   4           HA       ALA   4  38.328  20.881  17.264
   15    HB1  ALA   4           HB1      ALA   4  39.781  20.422  15.396
   16    HB2  ALA   4           HB2      ALA   4  39.250  18.822  16.028
   17    HB3  ALA   4           HB3      ALA   4  38.495  19.431  14.591
   18    H    ALA   5           H        ALA   5  35.715  20.390  14.915
   19    HA   ALA   5           HA       ALA   5  35.710  23.243  14.056
   20    HB1  ALA   5           HB1      ALA   5  34.788  21.569  12.586
   21    HB2  ALA   5           HB2      ALA   5  33.544  21.017  13.786
   22    HB3  ALA   5           HB3      ALA   5  33.578  22.688  13.065
   23    H    VAL   6           H        VAL   6  34.701  21.688  17.017
   24    HA   VAL   6           HA       VAL   6  33.540  24.318  17.765
   25    HB   VAL   6           HB       VAL   6  33.440  21.575  19.180
   26   HG11  VAL   6          HG11      VAL   6  31.656  23.956  19.381
   27   HG12  VAL   6          HG12      VAL   6  31.228  22.519  20.246
   28   HG13  VAL   6          HG13      VAL   6  32.608  23.559  20.661
   29   HG21  VAL   6          HG21      VAL   6  31.311  22.624  17.309
   30   HG22  VAL   6          HG22      VAL   6  32.437  21.098  17.099
   31   HG23  VAL   6          HG23      VAL   6  31.224  21.153  18.331
   32    H    ASP   7           H        ASP   7  36.187  23.590  17.322
   33    HA   ASP   7           HA       ASP   7  38.208  23.684  18.049
   34    HB2  ASP   7           HB2      ASP   7  37.480  26.003  18.326
   35    HB3  ASP   7           HB3      ASP   7  37.371  25.712  20.064
   36    H    THR   8           H        THR   8  36.836  21.524  19.232
   37    HA   THR   8           HA       THR   8  37.240  19.778  20.626
   38    HB   THR   8           HB       THR   8  39.770  21.005  21.632
   39    HG1  THR   8           HG1      THR   8  40.916  20.039  20.018
   40   HG21  THR   8          HG21      THR   8  39.144  18.149  20.927
   41   HG22  THR   8          HG22      THR   8  40.581  18.741  21.767
   42   HG23  THR   8          HG23      THR   8  39.037  18.894  22.596
   43    H    SER   9           H        SER   9  35.413  20.524  21.589
   44    HA   SER   9           HA       SER   9  35.448  22.032  24.034
   45    HB2  SER   9           HB2      SER   9  33.172  21.271  24.441
   46    HB3  SER   9           HB3      SER   9  33.290  21.868  22.767
   47    HG   SER   9           HG       SER   9  33.613  19.616  22.118
   48    H    SER  10           H        SER  10  36.128  18.836  23.277
   49    HA   SER  10           HA       SER  10  35.967  17.569  25.958
   50    HB2  SER  10           HB2      SER  10  37.849  16.929  23.726
   51    HB3  SER  10           HB3      SER  10  37.433  15.901  25.008
   52    HG   SER  10           HG       SER  10  35.883  16.884  22.840
   53    H    GLU  11           H        GLU  11  38.315  19.976  24.636
   54    HA   GLU  11           HA       GLU  11  40.095  19.497  27.019
   55    HB2  GLU  11           HB2      GLU  11  40.281  21.739  24.975
   56    HB3  GLU  11           HB3      GLU  11  41.342  21.294  26.226
   57    HG2  GLU  11           HG2      GLU  11  42.057  19.171  25.084
   58    HG3  GLU  11           HG3      GLU  11  41.008  19.651  23.753
   59    H    ILE  12           H        ILE  12  37.921  22.051  26.095
   60    HA   ILE  12           HA       ILE  12  38.251  23.367  28.631
   61    HB   ILE  12           HB       ILE  12  36.896  25.169  27.601
   62   HG12  ILE  12          HG12      ILE  12  36.071  24.221  25.137
   63   HG13  ILE  12          HG13      ILE  12  35.553  23.019  26.279
   64   HG21  ILE  12          HG21      ILE  12  37.948  25.685  25.596
   65   HG22  ILE  12          HG22      ILE  12  39.136  24.855  26.665
   66   HG23  ILE  12          HG23      ILE  12  38.380  24.045  25.245
   67   HD11  ILE  12          HD11      ILE  12  33.848  24.661  25.791
   68   HD12  ILE  12          HD12      ILE  12  34.059  24.432  27.480
   69   HD13  ILE  12          HD13      ILE  12  34.762  25.874  26.761
   70    H    THR  13           H        THR  13  35.800  21.043  27.824
   71    HA   THR  13           HA       THR  13  33.497  21.599  28.893
   72    HB   THR  13           HB       THR  13  33.992  19.479  27.873
   73    HG1  THR  13           HG1      THR  13  32.519  19.418  29.658
   74   HG21  THR  13          HG21      THR  13  35.463  17.928  28.342
   75   HG22  THR  13          HG22      THR  13  36.355  19.483  28.549
   76   HG23  THR  13          HG23      THR  13  35.818  18.705  29.995
   77    H    THR  14           H        THR  14  36.253  21.289  31.168
   78    HA   THR  14           HA       THR  14  34.336  20.852  33.277
   79    HB   THR  14           HB       THR  14  36.758  22.412  34.124
   80    HG1  THR  14           HG1      THR  14  37.401  20.784  32.562
   81   HG21  THR  14          HG21      THR  14  35.190  19.977  35.197
   82   HG22  THR  14          HG22      THR  14  36.348  21.052  35.995
   83   HG23  THR  14          HG23      THR  14  34.780  21.711  35.550
   84    H    LYS  15           H        LYS  15  35.482  23.849  31.880
   85    HA   LYS  15           HA       LYS  15  34.021  25.669  33.374
   86    HB2  LYS  15           HB2      LYS  15  34.507  25.807  30.224
   87    HB3  LYS  15           HB3      LYS  15  34.350  27.090  31.397
   88    HG2  LYS  15           HG2      LYS  15  36.498  26.340  32.549
   89    HG3  LYS  15           HG3      LYS  15  36.769  25.216  31.385
   90    HD2  LYS  15           HD2      LYS  15  38.062  27.202  30.966
   91    HD3  LYS  15           HD3      LYS  15  36.915  27.068  29.660
   92    HE2  LYS  15           HE2      LYS  15  35.467  28.671  30.484
   93    HE3  LYS  15           HE3      LYS  15  36.222  28.711  32.099
   94    HZ1  LYS  15           HZ1      LYS  15  37.069  29.783  29.547
   95    HZ2  LYS  15           HZ2      LYS  15  36.766  30.611  30.739
   96    HZ3  LYS  15           HZ3      LYS  15  38.186  29.701  30.728
   97    H    ASP  16           H        ASP  16  32.829  23.734  30.635
   98    HA   ASP  16           HA       ASP  16  30.188  24.955  30.454
   99    HB2  ASP  16           HB2      ASP  16  31.423  23.700  28.586
  100    HB3  ASP  16           HB3      ASP  16  31.120  22.223  29.512
  101    H    LEU  17           H        LEU  17  31.749  22.363  32.484
  102    HA   LEU  17           HA       LEU  17  29.111  21.344  33.277
  103    HB2  LEU  17           HB2      LEU  17  31.867  20.592  34.068
  104    HB3  LEU  17           HB3      LEU  17  30.484  19.893  34.900
  105    HG   LEU  17           HG       LEU  17  30.801  19.769  31.828
  106   HD11  LEU  17          HD11      LEU  17  32.621  18.570  33.035
  107   HD12  LEU  17          HD12      LEU  17  31.357  17.666  33.985
  108   HD13  LEU  17          HD13      LEU  17  31.500  17.357  32.354
  109   HD21  LEU  17          HD21      LEU  17  29.042  18.482  33.994
  110   HD22  LEU  17          HD22      LEU  17  28.537  19.365  32.437
  111   HD23  LEU  17          HD23      LEU  17  29.226  17.747  32.381
  112    H    LYS  18           H        LYS  18  31.567  23.612  34.651
  113    HA   LYS  18           HA       LYS  18  30.136  24.222  36.941
  114    HB2  LYS  18           HB2      LYS  18  32.043  25.680  35.109
  115    HB3  LYS  18           HB3      LYS  18  31.179  26.635  36.085
  116    HG2  LYS  18           HG2      LYS  18  33.209  26.356  36.985
  117    HG3  LYS  18           HG3      LYS  18  32.183  25.491  38.169
  118    HD2  LYS  18           HD2      LYS  18  32.972  23.281  37.193
  119    HD3  LYS  18           HD3      LYS  18  33.996  24.316  36.123
  120    HE2  LYS  18           HE2      LYS  18  34.237  24.550  39.142
  121    HE3  LYS  18           HE3      LYS  18  35.080  23.276  38.199
  122    HZ1  LYS  18           HZ1      LYS  18  36.474  25.152  38.456
  123    HZ2  LYS  18           HZ2      LYS  18  36.129  24.889  36.982
  124    HZ3  LYS  18           HZ3      LYS  18  35.517  26.169  37.835
  125    H    GLU  19           H        GLU  19  29.439  24.868  33.586
  126    HA   GLU  19           HA       GLU  19  27.288  26.796  34.222
  127    HB2  GLU  19           HB2      GLU  19  28.281  25.668  31.726
  128    HB3  GLU  19           HB3      GLU  19  26.650  25.536  31.776
  129    HG2  GLU  19           HG2      GLU  19  26.551  28.095  32.528
  130    HG3  GLU  19           HG3      GLU  19  28.240  28.099  32.304
  131    H    LYS  20           H        LYS  20  27.451  23.361  33.160
  132    HA   LYS  20           HA       LYS  20  24.618  23.015  33.488
  133    HB2  LYS  20           HB2      LYS  20  26.610  20.713  33.762
  134    HB3  LYS  20           HB3      LYS  20  24.931  20.619  33.447
  135    HG2  LYS  20           HG2      LYS  20  26.970  21.637  31.605
  136    HG3  LYS  20           HG3      LYS  20  25.902  20.201  31.382
  137    HD2  LYS  20           HD2      LYS  20  23.892  21.894  31.299
  138    HD3  LYS  20           HD3      LYS  20  25.055  23.115  31.171
  139    HE2  LYS  20           HE2      LYS  20  25.056  20.598  29.353
  140    HE3  LYS  20           HE3      LYS  20  24.039  21.944  28.979
  141    HZ1  LYS  20           HZ1      LYS  20  25.939  23.405  28.765
  142    HZ2  LYS  20           HZ2      LYS  20  26.988  22.173  29.000
  143    HZ3  LYS  20           HZ3      LYS  20  25.986  22.157  27.743
  144    H    LYS  21           H        LYS  21  27.077  22.572  35.915
  145    HA   LYS  21           HA       LYS  21  25.082  21.547  37.868
  146    HB2  LYS  21           HB2      LYS  21  28.121  22.063  38.167
  147    HB3  LYS  21           HB3      LYS  21  27.160  21.549  39.413
  148    HG2  LYS  21           HG2      LYS  21  27.031  20.163  36.713
  149    HG3  LYS  21           HG3      LYS  21  28.257  19.778  37.896
  150    HD2  LYS  21           HD2      LYS  21  26.418  19.071  39.546
  151    HD3  LYS  21           HD3      LYS  21  25.249  19.350  38.131
  152    HE2  LYS  21           HE2      LYS  21  26.449  17.591  36.902
  153    HE3  LYS  21           HE3      LYS  21  27.807  17.737  37.949
  154    HZ1  LYS  21           HZ1      LYS  21  25.211  16.884  38.976
  155    HZ2  LYS  21           HZ2      LYS  21  26.361  15.778  38.497
  156    HZ3  LYS  21           HZ3      LYS  21  26.600  16.792  39.717
  157    H    GLU  22           H        GLU  22  25.772  24.439  36.830
  158    HA   GLU  22           HA       GLU  22  24.990  26.023  39.280
  159    HB2  GLU  22           HB2      GLU  22  26.903  26.994  38.321
  160    HB3  GLU  22           HB3      GLU  22  26.015  27.378  36.835
  161    HG2  GLU  22           HG2      GLU  22  24.340  28.669  38.374
  162    HG3  GLU  22           HG3      GLU  22  25.241  28.259  39.731
  163    H    VAL  23           H        VAL  23  24.207  25.948  35.680
  164    HA   VAL  23           HA       VAL  23  21.558  26.819  35.900
  165    HB   VAL  23           HB       VAL  23  23.129  26.020  33.823
  166   HG11  VAL  23          HG11      VAL  23  23.018  23.672  34.278
  167   HG12  VAL  23          HG12      VAL  23  21.257  23.671  33.908
  168   HG13  VAL  23          HG13      VAL  23  22.390  24.102  32.683
  169   HG21  VAL  23          HG21      VAL  23  20.934  27.268  33.401
  170   HG22  VAL  23          HG22      VAL  23  21.098  25.988  32.306
  171   HG23  VAL  23          HG23      VAL  23  19.982  25.795  33.710
  172    H    VAL  24           H        VAL  24  22.932  23.810  36.630
  173    HA   VAL  24           HA       VAL  24  20.174  22.725  36.888
  174    HB   VAL  24           HB       VAL  24  21.854  21.182  35.867
  175   HG11  VAL  24          HG11      VAL  24  21.717  20.030  38.796
  176   HG12  VAL  24          HG12      VAL  24  22.833  19.386  37.640
  177   HG13  VAL  24          HG13      VAL  24  23.192  20.936  38.312
  178   HG21  VAL  24          HG21      VAL  24  19.709  20.316  37.645
  179   HG22  VAL  24          HG22      VAL  24  19.638  20.826  36.008
  180   HG23  VAL  24          HG23      VAL  24  20.585  19.354  36.348
  181    H    GLU  25           H        GLU  25  22.165  24.249  38.846
  182    HA   GLU  25           HA       GLU  25  20.878  23.459  41.446
  183    HB2  GLU  25           HB2      GLU  25  23.184  23.486  41.596
  184    HB3  GLU  25           HB3      GLU  25  23.223  25.150  40.899
  185    HG2  GLU  25           HG2      GLU  25  21.906  25.846  42.696
  186    HG3  GLU  25           HG3      GLU  25  22.009  24.241  43.547
  187    H    GLU  26           H        GLU  26  20.734  26.034  39.011
  188    HA   GLU  26           HA       GLU  26  18.942  27.722  40.813
  189    HB2  GLU  26           HB2      GLU  26  20.564  28.634  39.051
  190    HB3  GLU  26           HB3      GLU  26  19.505  27.818  37.855
  191    HG2  GLU  26           HG2      GLU  26  17.787  29.204  38.049
  192    HG3  GLU  26           HG3      GLU  26  17.996  29.512  39.791
  193    H    ALA  27           H        ALA  27  18.707  25.208  38.379
  194    HA   ALA  27           HA       ALA  27  15.904  25.369  37.878
  195    HB1  ALA  27           HB1      ALA  27  17.286  24.271  36.277
  196    HB2  ALA  27           HB2      ALA  27  17.899  23.104  37.590
  197    HB3  ALA  27           HB3      ALA  27  16.280  22.963  36.851
  198    H    GLU  28           H        GLU  28  17.549  24.156  40.589
  199    HA   GLU  28           HA       GLU  28  15.706  22.049  41.502
  200    HB2  GLU  28           HB2      GLU  28  17.903  23.506  42.880
  201    HB3  GLU  28           HB3      GLU  28  16.666  22.562  43.763
  202    HG2  GLU  28           HG2      GLU  28  17.188  20.541  42.346
  203    HG3  GLU  28           HG3      GLU  28  18.460  21.419  41.494
  204    H    ASN  29           H        ASN  29  16.188  25.383  42.079
  205    HA   ASN  29           HA       ASN  29  14.461  25.877  44.379
  206    HB2  ASN  29           HB2      ASN  29  16.501  27.551  43.699
  207    HB3  ASN  29           HB3      ASN  29  15.338  28.004  42.450
  208   HD21  ASN  29          HD22      ASN  29  14.115  29.697  43.109
  209   HD22  ASN  29          HD21      ASN  29  13.855  30.227  44.750
  Start of MODEL   20
    1    H1   ACE   1          HH32      ACE   1  33.515  16.186  14.267
    2    H2   ACE   1          HH33      ACE   1  33.790  15.172  15.767
    3    H3   ACE   1          HH31      ACE   1  32.584  14.695  14.726
    4    H    SER   2           H        SER   2  31.984  14.862  17.155
    5    HA   SER   2           HA       SER   2  29.673  16.406  17.286
    6    HB2  SER   2           HB2      SER   2  31.095  14.848  19.479
    7    HB3  SER   2           HB3      SER   2  29.362  15.433  19.377
    8    HG   SER   2           HG       SER   2  29.632  13.245  18.575
    9    H    ASP   3           H        ASP   3  32.914  16.988  18.336
   10    HA   ASP   3           HA       ASP   3  32.281  19.266  20.119
   11    HB2  ASP   3           HB2      ASP   3  33.426  17.538  21.133
   12    HB3  ASP   3           HB3      ASP   3  34.832  17.829  19.979
   13    H    ALA   4           H        ALA   4  33.901  18.515  17.055
   14    HA   ALA   4           HA       ALA   4  34.941  21.207  16.547
   15    HB1  ALA   4           HB1      ALA   4  33.739  19.361  14.471
   16    HB2  ALA   4           HB2      ALA   4  34.824  20.665  14.248
   17    HB3  ALA   4           HB3      ALA   4  35.364  19.230  15.154
   18    H    ALA   5           H        ALA   5  31.711  19.798  16.195
   19    HA   ALA   5           HA       ALA   5  30.225  22.178  15.232
   20    HB1  ALA   5           HB1      ALA   5  29.292  19.849  17.003
   21    HB2  ALA   5           HB2      ALA   5  28.343  20.779  15.709
   22    HB3  ALA   5           HB3      ALA   5  29.571  19.861  15.250
   23    H    VAL   6           H        VAL   6  31.620  21.521  18.314
   24    HA   VAL   6           HA       VAL   6  30.293  23.896  19.477
   25    HB   VAL   6           HB       VAL   6  31.621  21.775  21.274
   26   HG11  VAL   6          HG11      VAL   6  29.534  22.643  22.655
   27   HG12  VAL   6          HG12      VAL   6  30.788  23.905  22.301
   28   HG13  VAL   6          HG13      VAL   6  29.198  23.692  21.315
   29   HG21  VAL   6          HG21      VAL   6  28.818  21.580  20.638
   30   HG22  VAL   6          HG22      VAL   6  30.238  20.651  19.838
   31   HG23  VAL   6          HG23      VAL   6  29.937  20.459  21.520
   32    H    ASP   7           H        ASP   7  32.956  23.637  17.849
   33    HA   ASP   7           HA       ASP   7  34.656  24.809  17.406
   34    HB2  ASP   7           HB2      ASP   7  33.197  26.720  18.261
   35    HB3  ASP   7           HB3      ASP   7  34.107  26.624  19.669
   36    H    THR   8           H        THR   8  35.118  22.544  18.862
   37    HA   THR   8           HA       THR   8  36.483  21.311  19.971
   38    HB   THR   8           HB       THR   8  38.582  23.392  19.654
   39    HG1  THR   8           HG1      THR   8  37.649  22.859  17.691
   40   HG21  THR   8          HG21      THR   8  39.275  21.275  21.032
   41   HG22  THR   8          HG22      THR   8  38.853  20.393  19.638
   42   HG23  THR   8          HG23      THR   8  40.194  21.508  19.448
   43    H    SER   9           H        SER   9  34.898  21.993  21.709
   44    HA   SER   9           HA       SER   9  35.865  23.710  23.797
   45    HB2  SER   9           HB2      SER   9  33.849  23.749  24.620
   46    HB3  SER   9           HB3      SER   9  33.643  23.635  22.971
   47    HG   SER   9           HG       SER   9  33.271  21.348  23.007
   48    H    SER  10           H        SER  10  36.470  20.429  23.110
   49    HA   SER  10           HA       SER  10  36.279  19.256  25.586
   50    HB2  SER  10           HB2      SER  10  38.526  19.023  23.382
   51    HB3  SER  10           HB3      SER  10  38.372  17.907  24.646
   52    HG   SER  10           HG       SER  10  36.433  18.428  22.706
   53    H    GLU  11           H        GLU  11  38.476  21.755  24.842
   54    HA   GLU  11           HA       GLU  11  40.437  21.276  27.084
   55    HB2  GLU  11           HB2      GLU  11  39.910  23.894  25.478
   56    HB3  GLU  11           HB3      GLU  11  41.067  23.712  26.720
   57    HG2  GLU  11           HG2      GLU  11  41.932  21.598  25.249
   58    HG3  GLU  11           HG3      GLU  11  40.621  22.109  24.192
   59    H    ILE  12           H        ILE  12  37.755  23.300  26.537
   60    HA   ILE  12           HA       ILE  12  37.903  24.280  29.331
   61    HB   ILE  12           HB       ILE  12  36.339  26.171  28.559
   62   HG12  ILE  12          HG12      ILE  12  36.249  24.853  25.860
   63   HG13  ILE  12          HG13      ILE  12  35.156  24.163  27.095
   64   HG21  ILE  12          HG21      ILE  12  38.671  26.477  27.835
   65   HG22  ILE  12          HG22      ILE  12  38.236  25.648  26.283
   66   HG23  ILE  12          HG23      ILE  12  37.426  27.125  26.684
   67   HD11  ILE  12          HD11      ILE  12  35.119  27.189  26.238
   68   HD12  ILE  12          HD12      ILE  12  33.908  25.891  25.743
   69   HD13  ILE  12          HD13      ILE  12  34.143  26.314  27.441
   70    H    THR  13           H        THR  13  36.131  21.822  27.880
   71    HA   THR  13           HA       THR  13  33.615  21.895  28.778
   72    HB   THR  13           HB       THR  13  34.634  20.146  27.462
   73    HG1  THR  13           HG1      THR  13  32.680  19.610  28.298
   74   HG21  THR  13          HG21      THR  13  35.756  18.169  28.701
   75   HG22  THR  13          HG22      THR  13  36.661  19.744  28.700
   76   HG23  THR  13          HG23      THR  13  35.899  19.277  30.138
   77    H    THR  14           H        THR  14  36.109  21.665  31.301
   78    HA   THR  14           HA       THR  14  34.170  20.739  33.270
   79    HB   THR  14           HB       THR  14  36.803  22.364  33.656
   80    HG1  THR  14           HG1      THR  14  37.896  20.513  33.621
   81   HG21  THR  14          HG21      THR  14  34.865  20.999  35.559
   82   HG22  THR  14          HG22      THR  14  36.607  21.100  35.969
   83   HG23  THR  14          HG23      THR  14  35.587  22.527  35.785
   84    H    LYS  15           H        LYS  15  35.383  23.789  32.157
   85    HA   LYS  15           HA       LYS  15  33.839  25.566  33.874
   86    HB2  LYS  15           HB2      LYS  15  34.750  26.173  31.045
   87    HB3  LYS  15           HB3      LYS  15  34.423  27.366  32.331
   88    HG2  LYS  15           HG2      LYS  15  36.521  26.626  33.551
   89    HG3  LYS  15           HG3      LYS  15  36.875  25.555  32.199
   90    HD2  LYS  15           HD2      LYS  15  37.407  27.398  30.764
   91    HD3  LYS  15           HD3      LYS  15  36.511  28.603  31.742
   92    HE2  LYS  15           HE2      LYS  15  38.275  28.419  33.486
   93    HE3  LYS  15           HE3      LYS  15  39.025  27.184  32.556
   94    HZ1  LYS  15           HZ1      LYS  15  38.481  29.791  31.452
   95    HZ2  LYS  15           HZ2      LYS  15  40.008  29.428  32.100
   96    HZ3  LYS  15           HZ3      LYS  15  39.280  28.749  30.715
   97    H    ASP  16           H        ASP  16  33.049  23.699  30.909
   98    HA   ASP  16           HA       ASP  16  30.501  25.098  30.641
   99    HB2  ASP  16           HB2      ASP  16  31.527  24.172  28.630
  100    HB3  ASP  16           HB3      ASP  16  31.498  22.517  29.272
  101    H    LEU  17           H        LEU  17  31.827  22.411  32.486
  102    HA   LEU  17           HA       LEU  17  29.055  21.492  32.863
  103    HB2  LEU  17           HB2      LEU  17  31.776  20.336  33.589
  104    HB3  LEU  17           HB3      LEU  17  30.186  19.514  34.100
  105    HG   LEU  17           HG       LEU  17  30.664  20.284  31.172
  106   HD11  LEU  17          HD11      LEU  17  31.600  17.722  32.589
  107   HD12  LEU  17          HD12      LEU  17  31.303  17.968  30.828
  108   HD13  LEU  17          HD13      LEU  17  32.579  18.897  31.639
  109   HD21  LEU  17          HD21      LEU  17  29.182  18.494  30.922
  110   HD22  LEU  17          HD22      LEU  17  29.172  18.041  32.619
  111   HD23  LEU  17          HD23      LEU  17  28.427  19.565  32.197
  112    H    LYS  18           H        LYS  18  31.335  23.483  34.670
  113    HA   LYS  18           HA       LYS  18  29.600  23.596  37.033
  114    HB2  LYS  18           HB2      LYS  18  31.879  25.188  35.910
  115    HB3  LYS  18           HB3      LYS  18  30.976  26.025  37.200
  116    HG2  LYS  18           HG2      LYS  18  32.602  25.200  38.421
  117    HG3  LYS  18           HG3      LYS  18  31.419  23.942  38.651
  118    HD2  LYS  18           HD2      LYS  18  32.237  22.479  36.936
  119    HD3  LYS  18           HD3      LYS  18  33.648  23.578  36.655
  120    HE2  LYS  18           HE2      LYS  18  32.834  21.842  39.000
  121    HE3  LYS  18           HE3      LYS  18  34.368  21.893  38.150
  122    HZ1  LYS  18           HZ1      LYS  18  34.888  23.881  39.053
  123    HZ2  LYS  18           HZ2      LYS  18  33.499  24.119  39.833
  124    HZ3  LYS  18           HZ3      LYS  18  34.560  22.910  40.398
  125    H    GLU  19           H        GLU  19  29.604  25.111  33.973
  126    HA   GLU  19           HA       GLU  19  27.403  26.750  34.599
  127    HB2  GLU  19           HB2      GLU  19  28.977  26.652  32.632
  128    HB3  GLU  19           HB3      GLU  19  27.812  25.637  31.772
  129    HG2  GLU  19           HG2      GLU  19  26.059  27.086  32.009
  130    HG3  GLU  19           HG3      GLU  19  26.925  28.237  32.987
  131    H    LYS  20           H        LYS  20  27.645  23.539  33.121
  132    HA   LYS  20           HA       LYS  20  24.838  22.945  33.192
  133    HB2  LYS  20           HB2      LYS  20  27.176  20.976  33.263
  134    HB3  LYS  20           HB3      LYS  20  25.529  20.529  33.057
  135    HG2  LYS  20           HG2      LYS  20  27.118  22.326  31.183
  136    HG3  LYS  20           HG3      LYS  20  26.885  20.679  30.856
  137    HD2  LYS  20           HD2      LYS  20  24.383  21.104  30.899
  138    HD3  LYS  20           HD3      LYS  20  24.795  22.808  30.986
  139    HE2  LYS  20           HE2      LYS  20  25.228  20.780  28.735
  140    HE3  LYS  20           HE3      LYS  20  24.312  22.206  28.492
  141    HZ1  LYS  20           HZ1      LYS  20  26.359  23.541  28.417
  142    HZ2  LYS  20           HZ2      LYS  20  27.218  22.275  29.003
  143    HZ3  LYS  20           HZ3      LYS  20  26.601  22.250  27.486
  144    H    LYS  21           H        LYS  21  26.729  23.198  35.776
  145    HA   LYS  21           HA       LYS  21  25.131  21.500  37.713
  146    HB2  LYS  21           HB2      LYS  21  27.843  22.856  37.925
  147    HB3  LYS  21           HB3      LYS  21  27.009  22.256  39.386
  148    HG2  LYS  21           HG2      LYS  21  26.927  20.050  38.558
  149    HG3  LYS  21           HG3      LYS  21  27.462  20.419  36.996
  150    HD2  LYS  21           HD2      LYS  21  29.727  21.210  38.100
  151    HD3  LYS  21           HD3      LYS  21  29.051  20.706  39.697
  152    HE2  LYS  21           HE2      LYS  21  28.674  18.528  37.677
  153    HE3  LYS  21           HE3      LYS  21  30.285  19.083  37.629
  154    HZ1  LYS  21           HZ1      LYS  21  29.982  17.321  39.262
  155    HZ2  LYS  21           HZ2      LYS  21  30.337  18.665  40.012
  156    HZ3  LYS  21           HZ3      LYS  21  28.788  18.088  40.005
  157    H    GLU  22           H        GLU  22  25.413  24.550  36.492
  158    HA   GLU  22           HA       GLU  22  24.649  25.846  39.017
  159    HB2  GLU  22           HB2      GLU  22  26.596  26.907  38.087
  160    HB3  GLU  22           HB3      GLU  22  25.851  26.949  36.445
  161    HG2  GLU  22           HG2      GLU  22  24.306  28.597  37.135
  162    HG3  GLU  22           HG3      GLU  22  24.725  28.301  38.844
  163    H    VAL  23           H        VAL  23  23.836  25.868  35.526
  164    HA   VAL  23           HA       VAL  23  21.235  26.719  35.588
  165    HB   VAL  23           HB       VAL  23  22.518  25.748  33.506
  166   HG11  VAL  23          HG11      VAL  23  23.203  23.543  34.469
  167   HG12  VAL  23          HG12      VAL  23  21.569  22.981  34.206
  168   HG13  VAL  23          HG13      VAL  23  22.506  23.527  32.840
  169   HG21  VAL  23          HG21      VAL  23  19.964  26.173  33.756
  170   HG22  VAL  23          HG22      VAL  23  20.512  25.270  32.411
  171   HG23  VAL  23          HG23      VAL  23  19.856  24.360  33.833
  172    H    VAL  24           H        VAL  24  22.678  23.587  36.472
  173    HA   VAL  24           HA       VAL  24  20.067  22.399  37.132
  174    HB   VAL  24           HB       VAL  24  22.851  21.587  37.111
  175   HG11  VAL  24          HG11      VAL  24  22.703  19.539  38.320
  176   HG12  VAL  24          HG12      VAL  24  22.554  20.863  39.509
  177   HG13  VAL  24          HG13      VAL  24  21.183  19.847  38.947
  178   HG21  VAL  24          HG21      VAL  24  20.281  20.103  36.499
  179   HG22  VAL  24          HG22      VAL  24  21.261  21.042  35.304
  180   HG23  VAL  24          HG23      VAL  24  21.936  19.616  36.145
  181    H    GLU  25           H        GLU  25  22.474  23.942  39.418
  182    HA   GLU  25           HA       GLU  25  20.936  23.522  41.640
  183    HB2  GLU  25           HB2      GLU  25  23.269  24.020  41.366
  184    HB3  GLU  25           HB3      GLU  25  22.864  25.619  40.811
  185    HG2  GLU  25           HG2      GLU  25  21.681  26.024  43.063
  186    HG3  GLU  25           HG3      GLU  25  21.982  24.345  43.462
  187    H    GLU  26           H        GLU  26  20.790  25.925  39.138
  188    HA   GLU  26           HA       GLU  26  18.532  27.407  40.306
  189    HB2  GLU  26           HB2      GLU  26  19.950  27.692  37.567
  190    HB3  GLU  26           HB3      GLU  26  18.637  28.652  38.109
  191    HG2  GLU  26           HG2      GLU  26  21.197  28.397  39.807
  192    HG3  GLU  26           HG3      GLU  26  21.208  29.486  38.523
  193    H    ALA  27           H        ALA  27  18.573  24.850  38.163
  194    HA   ALA  27           HA       ALA  27  15.701  24.910  37.547
  195    HB1  ALA  27           HB1      ALA  27  16.218  22.278  37.236
  196    HB2  ALA  27           HB2      ALA  27  16.824  23.598  36.165
  197    HB3  ALA  27           HB3      ALA  27  17.886  22.829  37.334
  198    H    GLU  28           H        GLU  28  17.688  23.507  40.272
  199    HA   GLU  28           HA       GLU  28  15.679  22.234  41.776
  200    HB2  GLU  28           HB2      GLU  28  17.979  21.494  41.629
  201    HB3  GLU  28           HB3      GLU  28  18.562  23.120  42.152
  202    HG2  GLU  28           HG2      GLU  28  17.595  22.798  44.295
  203    HG3  GLU  28           HG3      GLU  28  17.044  21.176  43.886
  204    H    ASN  29           H        ASN  29  16.792  25.455  41.751
  205    HA   ASN  29           HA       ASN  29  16.064  26.517  44.370
  206    HB2  ASN  29           HB2      ASN  29  17.714  27.354  42.692
  207    HB3  ASN  29           HB3      ASN  29  16.290  27.993  41.775
  208   HD21  ASN  29          HD22      ASN  29  17.784  30.007  42.226
  209   HD22  ASN  29          HD21      ASN  29  17.248  30.749  43.759
  Start of MODEL   21
    1    H1   ACE   1          HH32      ACE   1  38.791  15.966  13.066
    2    H2   ACE   1          HH33      ACE   1  39.693  16.579  14.308
    3    H3   ACE   1          HH31      ACE   1  38.592  15.246  14.741
    4    H    SER   2           H        SER   2  36.076  16.000  14.443
    5    HA   SER   2           HA       SER   2  35.380  18.554  13.598
    6    HB2  SER   2           HB2      SER   2  33.131  17.974  14.849
    7    HB3  SER   2           HB3      SER   2  33.752  16.865  13.608
    8    HG   SER   2           HG       SER   2  33.239  15.646  15.342
    9    H    ASP   3           H        ASP   3  36.246  17.492  16.679
   10    HA   ASP   3           HA       ASP   3  35.507  19.931  18.118
   11    HB2  ASP   3           HB2      ASP   3  35.616  17.696  19.073
   12    HB3  ASP   3           HB3      ASP   3  37.326  17.644  18.903
   13    H    ALA   4           H        ALA   4  38.339  19.477  16.044
   14    HA   ALA   4           HA       ALA   4  40.056  21.321  17.379
   15    HB1  ALA   4           HB1      ALA   4  41.157  19.580  16.109
   16    HB2  ALA   4           HB2      ALA   4  40.171  19.797  14.648
   17    HB3  ALA   4           HB3      ALA   4  41.311  20.933  15.081
   18    H    ALA   5           H        ALA   5  37.454  21.320  14.766
   19    HA   ALA   5           HA       ALA   5  37.896  24.082  14.022
   20    HB1  ALA   5           HB1      ALA   5  35.522  23.912  13.108
   21    HB2  ALA   5           HB2      ALA   5  36.546  22.523  12.762
   22    HB3  ALA   5           HB3      ALA   5  35.263  22.527  14.024
   23    H    VAL   6           H        VAL   6  36.824  22.679  17.131
   24    HA   VAL   6           HA       VAL   6  35.504  25.224  18.004
   25    HB   VAL   6           HB       VAL   6  35.308  22.465  19.068
   26   HG11  VAL   6          HG11      VAL   6  33.185  23.464  20.167
   27   HG12  VAL   6          HG12      VAL   6  34.485  24.585  20.589
   28   HG13  VAL   6          HG13      VAL   6  33.360  24.897  19.303
   29   HG21  VAL   6          HG21      VAL   6  33.290  23.701  17.325
   30   HG22  VAL   6          HG22      VAL   6  34.198  22.327  16.940
   31   HG23  VAL   6          HG23      VAL   6  32.968  22.303  18.361
   32    H    ASP   7           H        ASP   7  38.359  24.328  17.681
   33    HA   ASP   7           HA       ASP   7  40.325  24.567  18.809
   34    HB2  ASP   7           HB2      ASP   7  39.229  26.864  19.065
   35    HB3  ASP   7           HB3      ASP   7  38.875  26.329  20.731
   36    H    THR   8           H        THR   8  39.086  22.346  19.365
   37    HA   THR   8           HA       THR   8  38.959  20.520  20.561
   38    HB   THR   8           HB       THR   8  41.552  21.336  21.663
   39    HG1  THR   8           HG1      THR   8  41.557  21.270  19.569
   40   HG21  THR   8          HG21      THR   8  41.689  18.675  21.640
   41   HG22  THR   8          HG22      THR   8  40.815  19.484  22.984
   42   HG23  THR   8          HG23      THR   8  39.997  18.609  21.586
   43    H    SER   9           H        SER   9  36.957  21.638  21.492
   44    HA   SER   9           HA       SER   9  37.089  22.473  24.078
   45    HB2  SER   9           HB2      SER   9  34.497  22.770  23.807
   46    HB3  SER   9           HB3      SER   9  35.396  22.938  22.275
   47    HG   SER   9           HG       SER   9  34.789  20.780  21.820
   48    H    SER  10           H        SER  10  37.270  19.494  23.011
   49    HA   SER  10           HA       SER  10  36.259  17.941  25.139
   50    HB2  SER  10           HB2      SER  10  38.864  17.390  23.608
   51    HB3  SER  10           HB3      SER  10  37.880  16.230  24.584
   52    HG   SER  10           HG       SER  10  37.296  17.407  22.153
   53    H    GLU  11           H        GLU  11  38.923  20.200  25.239
   54    HA   GLU  11           HA       GLU  11  39.754  19.239  27.861
   55    HB2  GLU  11           HB2      GLU  11  40.720  21.536  26.117
   56    HB3  GLU  11           HB3      GLU  11  41.422  21.231  27.670
   57    HG2  GLU  11           HG2      GLU  11  42.131  19.039  27.210
   58    HG3  GLU  11           HG3      GLU  11  41.343  19.037  25.543
   59    H    ILE  12           H        ILE  12  37.769  21.708  26.538
   60    HA   ILE  12           HA       ILE  12  38.093  23.639  28.750
   61    HB   ILE  12           HB       ILE  12  36.757  25.141  27.867
   62   HG12  ILE  12          HG12      ILE  12  35.860  24.361  25.296
   63   HG13  ILE  12          HG13      ILE  12  35.659  23.025  26.214
   64   HG21  ILE  12          HG21      ILE  12  39.052  25.140  26.775
   65   HG22  ILE  12          HG22      ILE  12  38.406  24.110  25.513
   66   HG23  ILE  12          HG23      ILE  12  37.780  25.681  25.647
   67   HD11  ILE  12          HD11      ILE  12  34.409  25.846  26.677
   68   HD12  ILE  12          HD12      ILE  12  33.647  24.456  26.098
   69   HD13  ILE  12          HD13      ILE  12  34.068  24.447  27.830
   70    H    THR  13           H        THR  13  36.109  21.122  28.159
   71    HA   THR  13           HA       THR  13  33.671  21.459  29.031
   72    HB   THR  13           HB       THR  13  34.015  19.511  28.051
   73    HG1  THR  13           HG1      THR  13  32.573  19.209  29.743
   74   HG21  THR  13          HG21      THR  13  35.589  17.727  28.912
   75   HG22  THR  13          HG22      THR  13  36.484  19.316  28.781
   76   HG23  THR  13          HG23      THR  13  35.941  18.836  30.340
   77    H    THR  14           H        THR  14  36.264  21.442  31.527
   78    HA   THR  14           HA       THR  14  34.188  21.070  33.585
   79    HB   THR  14           HB       THR  14  36.885  22.195  34.224
   80    HG1  THR  14           HG1      THR  14  37.278  20.435  33.180
   81   HG21  THR  14          HG21      THR  14  36.278  20.939  36.333
   82   HG22  THR  14          HG22      THR  14  35.496  22.556  35.995
   83   HG23  THR  14          HG23      THR  14  34.581  21.143  35.767
   84    H    LYS  15           H        LYS  15  35.082  23.743  31.799
   85    HA   LYS  15           HA       LYS  15  33.879  25.790  33.624
   86    HB2  LYS  15           HB2      LYS  15  34.834  25.988  30.677
   87    HB3  LYS  15           HB3      LYS  15  34.095  27.309  31.612
   88    HG2  LYS  15           HG2      LYS  15  35.924  27.599  33.026
   89    HG3  LYS  15           HG3      LYS  15  36.551  26.022  32.688
   90    HD2  LYS  15           HD2      LYS  15  37.100  26.709  30.468
   91    HD3  LYS  15           HD3      LYS  15  36.425  28.418  30.802
   92    HE2  LYS  15           HE2      LYS  15  38.215  28.483  32.705
   93    HE3  LYS  15           HE3      LYS  15  38.816  26.951  31.986
   94    HZ1  LYS  15           HZ1      LYS  15  40.015  28.891  31.185
   95    HZ2  LYS  15           HZ2      LYS  15  39.327  27.944  30.061
   96    HZ3  LYS  15           HZ3      LYS  15  38.630  29.430  30.510
   97    H    ASP  16           H        ASP  16  33.232  24.045  30.722
   98    HA   ASP  16           HA       ASP  16  30.548  25.011  30.250
   99    HB2  ASP  16           HB2      ASP  16  31.952  23.856  28.605
  100    HB3  ASP  16           HB3      ASP  16  31.627  22.311  29.480
  101    H    LEU  17           H        LEU  17  31.787  22.533  32.350
  102    HA   LEU  17           HA       LEU  17  29.173  21.421  33.063
  103    HB2  LEU  17           HB2      LEU  17  32.002  20.726  33.830
  104    HB3  LEU  17           HB3      LEU  17  30.483  19.830  34.374
  105    HG   LEU  17           HG       LEU  17  31.296  20.226  31.492
  106   HD11  LEU  17          HD11      LEU  17  31.570  17.923  33.403
  107   HD12  LEU  17          HD12      LEU  17  31.911  17.911  31.683
  108   HD13  LEU  17          HD13      LEU  17  32.963  18.860  32.785
  109   HD21  LEU  17          HD21      LEU  17  28.914  19.782  31.523
  110   HD22  LEU  17          HD22      LEU  17  29.830  18.469  30.941
  111   HD23  LEU  17          HD23      LEU  17  29.169  18.357  32.635
  112    H    LYS  18           H        LYS  18  31.455  23.554  34.842
  113    HA   LYS  18           HA       LYS  18  29.605  23.767  37.032
  114    HB2  LYS  18           HB2      LYS  18  32.147  25.139  36.112
  115    HB3  LYS  18           HB3      LYS  18  31.150  26.042  37.250
  116    HG2  LYS  18           HG2      LYS  18  32.504  24.949  38.571
  117    HG3  LYS  18           HG3      LYS  18  31.074  23.937  38.622
  118    HD2  LYS  18           HD2      LYS  18  32.325  22.366  36.851
  119    HD3  LYS  18           HD3      LYS  18  33.628  23.481  36.837
  120    HE2  LYS  18           HE2      LYS  18  32.554  21.770  39.071
  121    HE3  LYS  18           HE3      LYS  18  34.054  21.495  38.269
  122    HZ1  LYS  18           HZ1      LYS  18  34.370  22.652  40.597
  123    HZ2  LYS  18           HZ2      LYS  18  34.630  23.737  39.452
  124    HZ3  LYS  18           HZ3      LYS  18  33.200  23.623  40.207
  125    H    GLU  19           H        GLU  19  29.589  24.983  33.802
  126    HA   GLU  19           HA       GLU  19  27.376  26.792  34.453
  127    HB2  GLU  19           HB2      GLU  19  28.913  25.858  32.033
  128    HB3  GLU  19           HB3      GLU  19  27.238  25.924  31.689
  129    HG2  GLU  19           HG2      GLU  19  27.121  28.280  32.608
  130    HG3  GLU  19           HG3      GLU  19  28.803  28.209  32.943
  131    H    LYS  20           H        LYS  20  27.585  23.414  33.127
  132    HA   LYS  20           HA       LYS  20  24.828  22.863  33.191
  133    HB2  LYS  20           HB2      LYS  20  27.083  20.789  33.776
  134    HB3  LYS  20           HB3      LYS  20  25.419  20.284  33.493
  135    HG2  LYS  20           HG2      LYS  20  27.354  21.406  31.334
  136    HG3  LYS  20           HG3      LYS  20  26.300  19.919  31.437
  137    HD2  LYS  20           HD2      LYS  20  24.409  21.383  31.104
  138    HD3  LYS  20           HD3      LYS  20  25.387  22.827  30.983
  139    HE2  LYS  20           HE2      LYS  20  25.716  20.552  28.977
  140    HE3  LYS  20           HE3      LYS  20  24.732  21.993  28.863
  141    HZ1  LYS  20           HZ1      LYS  20  27.123  21.859  28.034
  142    HZ2  LYS  20           HZ2      LYS  20  26.707  23.314  28.721
  143    HZ3  LYS  20           HZ3      LYS  20  27.648  22.258  29.541
  144    H    LYS  21           H        LYS  21  26.900  22.932  35.921
  145    HA   LYS  21           HA       LYS  21  24.796  21.831  37.753
  146    HB2  LYS  21           HB2      LYS  21  27.668  22.760  38.246
  147    HB3  LYS  21           HB3      LYS  21  26.637  22.579  39.656
  148    HG2  LYS  21           HG2      LYS  21  27.313  20.397  37.642
  149    HG3  LYS  21           HG3      LYS  21  27.966  20.687  39.286
  150    HD2  LYS  21           HD2      LYS  21  25.567  20.569  40.099
  151    HD3  LYS  21           HD3      LYS  21  25.121  19.831  38.506
  152    HE2  LYS  21           HE2      LYS  21  26.455  17.996  38.596
  153    HE3  LYS  21           HE3      LYS  21  27.562  18.468  39.719
  154    HZ1  LYS  21           HZ1      LYS  21  26.078  18.681  41.508
  155    HZ2  LYS  21           HZ2      LYS  21  24.875  18.224  40.629
  156    HZ3  LYS  21           HZ3      LYS  21  25.985  17.090  40.904
  157    H    GLU  22           H        GLU  22  25.384  24.778  36.528
  158    HA   GLU  22           HA       GLU  22  24.446  26.461  38.936
  159    HB2  GLU  22           HB2      GLU  22  26.293  27.347  37.515
  160    HB3  GLU  22           HB3      GLU  22  25.267  27.313  36.185
  161    HG2  GLU  22           HG2      GLU  22  23.797  28.984  36.774
  162    HG3  GLU  22           HG3      GLU  22  23.903  28.591  38.426
  163    H    VAL  23           H        VAL  23  23.853  25.979  35.297
  164    HA   VAL  23           HA       VAL  23  21.060  26.625  35.373
  165    HB   VAL  23           HB       VAL  23  22.812  25.832  33.507
  166   HG11  VAL  23          HG11      VAL  23  22.222  23.674  32.387
  167   HG12  VAL  23          HG12      VAL  23  23.025  23.702  33.982
  168   HG13  VAL  23          HG13      VAL  23  21.314  23.232  33.828
  169   HG21  VAL  23          HG21      VAL  23  20.880  25.553  31.849
  170   HG22  VAL  23          HG22      VAL  23  19.896  25.152  33.205
  171   HG23  VAL  23          HG23      VAL  23  20.489  26.793  33.154
  172    H    VAL  24           H        VAL  24  22.586  23.603  36.514
  173    HA   VAL  24           HA       VAL  24  19.908  22.338  36.494
  174    HB   VAL  24           HB       VAL  24  21.981  21.102  35.921
  175   HG11  VAL  24          HG11      VAL  24  22.850  21.312  38.170
  176   HG12  VAL  24          HG12      VAL  24  21.576  20.212  38.824
  177   HG13  VAL  24          HG13      VAL  24  22.822  19.604  37.712
  178   HG21  VAL  24          HG21      VAL  24  19.917  20.373  35.300
  179   HG22  VAL  24          HG22      VAL  24  20.727  19.047  36.070
  180   HG23  VAL  24          HG23      VAL  24  19.608  19.908  37.007
  181    H    GLU  25           H        GLU  25  22.250  23.584  38.983
  182    HA   GLU  25           HA       GLU  25  20.545  22.817  41.204
  183    HB2  GLU  25           HB2      GLU  25  22.838  24.662  41.066
  184    HB3  GLU  25           HB3      GLU  25  21.957  24.272  42.521
  185    HG2  GLU  25           HG2      GLU  25  23.101  21.908  40.921
  186    HG3  GLU  25           HG3      GLU  25  24.011  22.811  42.193
  187    H    GLU  26           H        GLU  26  20.722  25.626  39.166
  188    HA   GLU  26           HA       GLU  26  19.020  27.116  40.953
  189    HB2  GLU  26           HB2      GLU  26  19.828  27.500  38.048
  190    HB3  GLU  26           HB3      GLU  26  18.847  28.667  38.907
  191    HG2  GLU  26           HG2      GLU  26  21.818  27.959  39.668
  192    HG3  GLU  26           HG3      GLU  26  21.239  29.259  38.710
  193    H    ALA  27           H        ALA  27  18.572  24.648  38.440
  194    HA   ALA  27           HA       ALA  27  15.764  25.323  37.921
  195    HB1  ALA  27           HB1      ALA  27  15.753  23.140  36.849
  196    HB2  ALA  27           HB2      ALA  27  17.122  24.190  36.183
  197    HB3  ALA  27           HB3      ALA  27  17.414  22.844  37.180
  198    H    GLU  28           H        GLU  28  17.459  23.669  40.407
  199    HA   GLU  28           HA       GLU  28  14.963  22.602  41.706
  200    HB2  GLU  28           HB2      GLU  28  17.449  21.502  41.717
  201    HB3  GLU  28           HB3      GLU  28  17.667  22.737  43.089
  202    HG2  GLU  28           HG2      GLU  28  15.689  21.620  44.196
  203    HG3  GLU  28           HG3      GLU  28  15.533  20.489  42.882
  204    H    ASN  29           H        ASN  29  17.264  25.089  42.210
  205    HA   ASN  29           HA       ASN  29  16.293  26.139  44.698
  206    HB2  ASN  29           HB2      ASN  29  18.549  26.554  43.845
  207    HB3  ASN  29           HB3      ASN  29  17.980  27.436  42.523
  208   HD21  ASN  29          HD22      ASN  29  19.409  29.203  43.328
  209   HD22  ASN  29          HD21      ASN  29  18.894  30.157  44.750