NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
24860 | 2k57 | 15825 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 H1 MET 1 -12.278 9.027 0.438 2 H2 MET 1 H2 MET 1 -13.853 8.464 0.181 3 H3 MET 1 H3 MET 1 -13.538 10.125 0.187 4 HA MET 1 HA MET 1 -13.856 9.299 -2.055 5 HB2 MET 1 HB2 MET 1 -12.395 11.235 -1.672 6 HB3 MET 1 HB3 MET 1 -11.024 10.167 -1.409 7 HG2 MET 1 HG2 MET 1 -11.064 11.225 -3.650 8 HG3 MET 1 HG3 MET 1 -11.044 9.462 -3.700 9 HE1 MET 1 HE1 MET 1 -14.826 12.009 -4.464 10 HE2 MET 1 HE2 MET 1 -13.227 12.712 -4.208 11 HE3 MET 1 HE3 MET 1 -14.046 11.877 -2.888 12 H ALA 2 H ALA 2 -13.346 7.846 -3.693 13 HA ALA 2 HA ALA 2 -11.542 5.622 -2.946 14 HB1 ALA 2 HB1 ALA 2 -13.069 4.071 -4.054 15 HB2 ALA 2 HB2 ALA 2 -14.176 5.400 -4.407 16 HB3 ALA 2 HB3 ALA 2 -13.868 4.926 -2.735 17 H SER 3 H SER 3 -10.039 5.075 -4.395 18 HA SER 3 HA SER 3 -10.353 5.520 -7.232 19 HB2 SER 3 HB2 SER 3 -8.276 7.092 -5.669 20 HB3 SER 3 HB3 SER 3 -8.237 6.885 -7.418 21 HG SER 3 HG SER 3 -10.676 7.731 -6.692 22 HA PRO 4 HA PRO 4 -7.860 1.870 -7.004 23 HB2 PRO 4 HB2 PRO 4 -7.233 1.561 -9.620 24 HB3 PRO 4 HB3 PRO 4 -8.861 1.284 -8.993 25 HG2 PRO 4 HG2 PRO 4 -7.764 3.694 -10.402 26 HG3 PRO 4 HG3 PRO 4 -9.316 2.868 -10.642 27 HD2 PRO 4 HD2 PRO 4 -9.072 5.142 -9.168 28 HD3 PRO 4 HD3 PRO 4 -10.293 3.900 -8.825 29 H THR 5 H THR 5 -5.900 1.936 -6.071 30 HA THR 5 HA THR 5 -3.679 3.318 -7.469 31 HB THR 5 HB THR 5 -4.066 3.139 -4.463 32 HG1 THR 5 HG1 THR 5 -4.523 5.211 -6.348 33 HG21 THR 5 HG21 THR 5 -1.935 4.534 -6.095 34 HG22 THR 5 HG22 THR 5 -1.700 3.106 -5.085 35 HG23 THR 5 HG23 THR 5 -2.124 4.650 -4.346 36 H VAL 6 H VAL 6 -2.056 1.956 -8.027 37 HA VAL 6 HA VAL 6 -1.890 -0.654 -6.690 38 HB VAL 6 HB VAL 6 -2.073 -0.757 -9.118 39 HG11 VAL 6 HG11 VAL 6 -1.065 1.391 -9.705 40 HG12 VAL 6 HG12 VAL 6 -0.313 0.070 -10.600 41 HG13 VAL 6 HG13 VAL 6 0.521 0.788 -9.222 42 HG21 VAL 6 HG21 VAL 6 -0.131 -2.190 -9.592 43 HG22 VAL 6 HG22 VAL 6 -0.812 -2.514 -7.996 44 HG23 VAL 6 HG23 VAL 6 0.671 -1.571 -8.148 45 H ILE 7 H ILE 7 -0.495 -0.841 -5.075 46 HA ILE 7 HA ILE 7 1.866 0.891 -4.938 47 HB ILE 7 HB ILE 7 0.726 -1.020 -2.881 48 HG12 ILE 7 HG12 ILE 7 0.652 2.010 -3.048 49 HG13 ILE 7 HG13 ILE 7 -0.716 0.928 -3.287 50 HG21 ILE 7 HG21 ILE 7 2.291 0.035 -1.304 51 HG22 ILE 7 HG22 ILE 7 2.993 0.967 -2.628 52 HG23 ILE 7 HG23 ILE 7 3.137 -0.793 -2.611 53 HD11 ILE 7 HD11 ILE 7 -0.580 0.223 -0.964 54 HD12 ILE 7 HD12 ILE 7 -0.752 1.972 -1.088 55 HD13 ILE 7 HD13 ILE 7 0.822 1.266 -0.720 56 H THR 8 H THR 8 3.735 0.186 -5.718 57 HA THR 8 HA THR 8 4.201 -2.697 -6.078 58 HB THR 8 HB THR 8 5.853 -0.392 -7.150 59 HG1 THR 8 HG1 THR 8 4.246 -1.794 -8.923 60 HG21 THR 8 HG21 THR 8 7.036 -2.536 -7.079 61 HG22 THR 8 HG22 THR 8 6.686 -2.068 -8.743 62 HG23 THR 8 HG23 THR 8 5.712 -3.309 -7.953 63 H LEU 9 H LEU 9 5.532 -3.768 -4.719 64 HA LEU 9 HA LEU 9 6.907 -2.301 -2.636 65 HB2 LEU 9 HB2 LEU 9 6.761 -5.284 -3.095 66 HB3 LEU 9 HB3 LEU 9 7.347 -4.488 -1.642 67 HG LEU 9 HG LEU 9 4.502 -4.455 -2.674 68 HD11 LEU 9 HD11 LEU 9 5.121 -6.583 -1.689 69 HD12 LEU 9 HD12 LEU 9 4.011 -5.716 -0.629 70 HD13 LEU 9 HD13 LEU 9 5.734 -5.766 -0.252 71 HD21 LEU 9 HD21 LEU 9 3.960 -3.260 -0.596 72 HD22 LEU 9 HD22 LEU 9 5.042 -2.324 -1.627 73 HD23 LEU 9 HD23 LEU 9 5.679 -3.161 -0.210 74 H ASN 10 H ASN 10 9.091 -3.309 -1.920 75 HA ASN 10 HA ASN 10 11.067 -2.388 -3.616 76 HB2 ASN 10 HB2 ASN 10 11.379 -2.627 -1.217 77 HB3 ASN 10 HB3 ASN 10 11.276 -4.376 -1.344 78 HD21 ASN 10 HD21 ASN 10 13.254 -1.576 -1.934 79 HD22 ASN 10 HD22 ASN 10 14.731 -2.437 -2.182 80 H ASP 11 H ASP 11 10.035 -5.771 -3.162 81 HA ASP 11 HA ASP 11 12.027 -6.835 -4.935 82 HB2 ASP 11 HB2 ASP 11 10.884 -8.959 -4.608 83 HB3 ASP 11 HB3 ASP 11 11.045 -8.131 -3.062 84 H GLY 12 H GLY 12 8.859 -5.504 -5.336 85 HA2 GLY 12 HA2 GLY 12 8.281 -4.873 -7.669 86 HA3 GLY 12 HA3 GLY 12 8.753 -6.498 -8.130 87 H ARG 13 H ARG 13 7.299 -7.079 -5.316 88 HA ARG 13 HA ARG 13 4.891 -8.087 -6.342 89 HB2 ARG 13 HB2 ARG 13 5.844 -8.869 -4.236 90 HB3 ARG 13 HB3 ARG 13 5.605 -7.287 -3.506 91 HG2 ARG 13 HG2 ARG 13 3.170 -7.564 -3.725 92 HG3 ARG 13 HG3 ARG 13 3.424 -9.167 -4.419 93 HD2 ARG 13 HD2 ARG 13 4.450 -9.935 -2.361 94 HD3 ARG 13 HD3 ARG 13 4.346 -8.315 -1.669 95 HE ARG 13 HE ARG 13 1.782 -9.237 -2.437 96 HH11 ARG 13 HH11 ARG 13 4.194 -9.719 -0.026 97 HH12 ARG 13 HH12 ARG 13 3.047 -10.145 1.195 98 HH21 ARG 13 HH21 ARG 13 0.315 -9.796 -0.873 99 HH22 ARG 13 HH22 ARG 13 0.865 -10.186 0.719 100 H GLU 14 H GLU 14 3.186 -6.983 -7.134 101 HA GLU 14 HA GLU 14 2.680 -4.243 -6.162 102 HB2 GLU 14 HB2 GLU 14 1.706 -5.579 -8.701 103 HB3 GLU 14 HB3 GLU 14 1.437 -3.900 -8.251 104 HG2 GLU 14 HG2 GLU 14 3.879 -3.532 -8.313 105 HG3 GLU 14 HG3 GLU 14 4.088 -5.192 -8.859 106 H ILE 15 H ILE 15 0.891 -3.793 -5.018 107 HA ILE 15 HA ILE 15 -1.382 -5.687 -5.138 108 HB ILE 15 HB ILE 15 -0.581 -4.020 -2.736 109 HG12 ILE 15 HG12 ILE 15 -0.289 -7.008 -3.207 110 HG13 ILE 15 HG13 ILE 15 1.033 -5.848 -3.155 111 HG21 ILE 15 HG21 ILE 15 -2.706 -6.149 -3.063 112 HG22 ILE 15 HG22 ILE 15 -2.987 -4.417 -2.882 113 HG23 ILE 15 HG23 ILE 15 -2.289 -5.340 -1.552 114 HD11 ILE 15 HD11 ILE 15 -0.793 -6.560 -0.870 115 HD12 ILE 15 HD12 ILE 15 0.518 -5.382 -0.809 116 HD13 ILE 15 HD13 ILE 15 0.875 -7.087 -1.082 117 H GLN 16 H GLN 16 -3.348 -4.836 -5.602 118 HA GLN 16 HA GLN 16 -3.452 -1.965 -6.201 119 HB2 GLN 16 HB2 GLN 16 -5.240 -4.240 -7.095 120 HB3 GLN 16 HB3 GLN 16 -5.413 -2.564 -7.601 121 HG2 GLN 16 HG2 GLN 16 -3.297 -2.624 -8.738 122 HG3 GLN 16 HG3 GLN 16 -2.950 -4.230 -8.097 123 HE21 GLN 16 HE21 GLN 16 -4.801 -2.412 -10.400 124 HE22 GLN 16 HE22 GLN 16 -5.330 -3.755 -11.344 125 H ALA 17 H ALA 17 -4.588 -0.607 -5.001 126 HA ALA 17 HA ALA 17 -6.488 -1.653 -3.012 127 HB1 ALA 17 HB1 ALA 17 -6.106 0.430 -1.794 128 HB2 ALA 17 HB2 ALA 17 -5.056 1.009 -3.089 129 HB3 ALA 17 HB3 ALA 17 -4.582 -0.392 -2.128 130 H VAL 18 H VAL 18 -8.525 -0.641 -2.703 131 HA VAL 18 HA VAL 18 -9.675 0.511 -5.119 132 HB VAL 18 HB VAL 18 -11.844 0.354 -3.925 133 HG11 VAL 18 HG11 VAL 18 -10.188 -2.176 -3.877 134 HG12 VAL 18 HG12 VAL 18 -11.063 -1.528 -5.264 135 HG13 VAL 18 HG13 VAL 18 -11.951 -2.104 -3.854 136 HG21 VAL 18 HG21 VAL 18 -10.169 -0.772 -1.673 137 HG22 VAL 18 HG22 VAL 18 -11.931 -0.832 -1.752 138 HG23 VAL 18 HG23 VAL 18 -11.106 0.722 -1.644 139 H ASP 19 H ASP 19 -8.460 1.669 -2.129 140 HA ASP 19 HA ASP 19 -9.118 4.378 -2.972 141 HB2 ASP 19 HB2 ASP 19 -9.544 4.960 -0.485 142 HB3 ASP 19 HB3 ASP 19 -10.835 4.210 -1.412 143 H THR 20 H THR 20 -7.904 5.959 -1.268 144 HA THR 20 HA THR 20 -5.169 5.416 -1.979 145 HB THR 20 HB THR 20 -4.704 7.691 -1.108 146 HG1 THR 20 HG1 THR 20 -6.038 8.383 0.379 147 HG21 THR 20 HG21 THR 20 -5.486 7.399 -3.423 148 HG22 THR 20 HG22 THR 20 -6.050 8.922 -2.735 149 HG23 THR 20 HG23 THR 20 -7.156 7.555 -2.875 150 HA PRO 21 HA PRO 21 -3.820 3.757 1.879 151 HB2 PRO 21 HB2 PRO 21 -1.152 4.006 1.612 152 HB3 PRO 21 HB3 PRO 21 -2.096 2.903 0.603 153 HG2 PRO 21 HG2 PRO 21 -1.077 5.652 -0.041 154 HG3 PRO 21 HG3 PRO 21 -1.041 4.186 -1.040 155 HD2 PRO 21 HD2 PRO 21 -2.916 6.150 -1.332 156 HD3 PRO 21 HD3 PRO 21 -3.228 4.446 -1.718 157 H LYS 22 H LYS 22 -2.901 4.230 3.908 158 HA LYS 22 HA LYS 22 -2.365 7.081 4.479 159 HB2 LYS 22 HB2 LYS 22 -4.369 6.511 5.606 160 HB3 LYS 22 HB3 LYS 22 -3.752 4.937 6.088 161 HG2 LYS 22 HG2 LYS 22 -2.235 5.982 7.675 162 HG3 LYS 22 HG3 LYS 22 -2.761 7.584 7.157 163 HD2 LYS 22 HD2 LYS 22 -4.964 7.223 8.036 164 HD3 LYS 22 HD3 LYS 22 -4.626 5.518 8.341 165 HE2 LYS 22 HE2 LYS 22 -3.156 7.790 9.685 166 HE3 LYS 22 HE3 LYS 22 -4.568 6.992 10.378 167 HZ1 LYS 22 HZ1 LYS 22 -2.064 5.581 9.636 168 HZ2 LYS 22 HZ2 LYS 22 -3.385 4.932 10.462 169 HZ3 LYS 22 HZ3 LYS 22 -2.419 6.110 11.200 170 H TYR 23 H TYR 23 -0.311 7.510 5.041 171 HA TYR 23 HA TYR 23 1.474 5.438 6.003 172 HB2 TYR 23 HB2 TYR 23 2.398 7.123 4.534 173 HB3 TYR 23 HB3 TYR 23 1.841 8.417 5.585 174 HD1 TYR 23 HD1 TYR 23 3.893 5.291 6.025 175 HD2 TYR 23 HD2 TYR 23 3.538 9.477 6.709 176 HE1 TYR 23 HE1 TYR 23 6.066 5.285 7.180 177 HE2 TYR 23 HE2 TYR 23 5.705 9.481 7.860 178 HH TYR 23 HH TYR 23 7.219 8.040 8.945 179 H ASP 24 H ASP 24 1.471 4.808 8.068 180 HA ASP 24 HA ASP 24 0.312 6.580 10.098 181 HB2 ASP 24 HB2 ASP 24 -0.653 4.320 9.803 182 HB3 ASP 24 HB3 ASP 24 0.905 3.611 10.221 183 H GLU 25 H GLU 25 1.795 7.849 11.024 184 HA GLU 25 HA GLU 25 4.549 7.353 11.263 185 HB2 GLU 25 HB2 GLU 25 3.544 9.590 11.339 186 HB3 GLU 25 HB3 GLU 25 2.769 9.205 12.869 187 HG2 GLU 25 HG2 GLU 25 5.015 8.953 13.890 188 HG3 GLU 25 HG3 GLU 25 5.729 9.466 12.360 189 H GLU 26 H GLU 26 1.891 6.465 13.334 190 HA GLU 26 HA GLU 26 3.296 6.121 15.761 191 HB2 GLU 26 HB2 GLU 26 0.782 4.710 14.842 192 HB3 GLU 26 HB3 GLU 26 1.342 4.861 16.502 193 HG2 GLU 26 HG2 GLU 26 0.453 7.113 14.706 194 HG3 GLU 26 HG3 GLU 26 -0.457 6.421 16.047 195 H SER 27 H SER 27 2.219 3.659 13.396 196 HA SER 27 HA SER 27 3.950 1.672 14.691 197 HB2 SER 27 HB2 SER 27 1.881 1.320 12.504 198 HB3 SER 27 HB3 SER 27 2.754 0.018 13.307 199 HG SER 27 HG SER 27 0.506 1.238 14.069 200 H GLY 28 H GLY 28 3.926 3.699 11.912 201 HA2 GLY 28 HA2 GLY 28 5.725 4.085 10.476 202 HA3 GLY 28 HA3 GLY 28 6.502 2.636 11.085 203 H PHE 29 H PHE 29 3.287 2.081 10.110 204 HA PHE 29 HA PHE 29 4.260 0.707 7.695 205 HB2 PHE 29 HB2 PHE 29 1.661 0.339 9.210 206 HB3 PHE 29 HB3 PHE 29 2.178 -0.610 7.820 207 HD1 PHE 29 HD1 PHE 29 4.524 -1.798 8.117 208 HD2 PHE 29 HD2 PHE 29 2.029 -0.512 11.315 209 HE1 PHE 29 HE1 PHE 29 5.617 -3.412 9.613 210 HE2 PHE 29 HE2 PHE 29 3.122 -2.122 12.818 211 HZ PHE 29 HZ PHE 29 4.917 -3.575 11.970 212 H TYR 30 H TYR 30 2.894 0.663 5.790 213 HA TYR 30 HA TYR 30 1.169 3.012 5.425 214 HB2 TYR 30 HB2 TYR 30 2.571 1.163 3.510 215 HB3 TYR 30 HB3 TYR 30 1.163 2.069 2.971 216 HD1 TYR 30 HD1 TYR 30 4.653 2.385 4.186 217 HD2 TYR 30 HD2 TYR 30 1.283 4.412 2.545 218 HE1 TYR 30 HE1 TYR 30 6.064 4.345 3.709 219 HE2 TYR 30 HE2 TYR 30 2.687 6.370 2.059 220 HH TYR 30 HH TYR 30 4.803 7.377 2.890 221 H GLU 31 H GLU 31 -0.958 2.771 5.594 222 HA GLU 31 HA GLU 31 -2.127 0.079 5.625 223 HB2 GLU 31 HB2 GLU 31 -3.437 2.701 6.387 224 HB3 GLU 31 HB3 GLU 31 -3.994 1.077 6.772 225 HG2 GLU 31 HG2 GLU 31 -1.976 0.774 8.184 226 HG3 GLU 31 HG3 GLU 31 -1.539 2.449 7.862 227 H PHE 32 H PHE 32 -3.130 -0.629 3.815 228 HA PHE 32 HA PHE 32 -4.661 1.292 2.217 229 HB2 PHE 32 HB2 PHE 32 -3.765 0.315 0.097 230 HB3 PHE 32 HB3 PHE 32 -2.575 1.213 1.030 231 HD1 PHE 32 HD1 PHE 32 -0.912 -0.089 2.437 232 HD2 PHE 32 HD2 PHE 32 -3.382 -1.919 -0.512 233 HE1 PHE 32 HE1 PHE 32 0.615 -2.013 2.356 234 HE2 PHE 32 HE2 PHE 32 -1.860 -3.844 -0.591 235 HZ PHE 32 HZ PHE 32 0.144 -3.895 0.843 236 H LYS 33 H LYS 33 -6.410 0.473 1.127 237 HA LYS 33 HA LYS 33 -7.370 -2.099 2.146 238 HB2 LYS 33 HB2 LYS 33 -8.717 -0.023 2.418 239 HB3 LYS 33 HB3 LYS 33 -8.862 0.080 0.669 240 HG2 LYS 33 HG2 LYS 33 -10.000 -2.144 0.700 241 HG3 LYS 33 HG3 LYS 33 -9.974 -2.073 2.465 242 HD2 LYS 33 HD2 LYS 33 -11.315 -0.095 0.613 243 HD3 LYS 33 HD3 LYS 33 -12.126 -1.309 1.605 244 HE2 LYS 33 HE2 LYS 33 -11.574 -0.197 3.608 245 HE3 LYS 33 HE3 LYS 33 -10.351 0.799 2.816 246 HZ1 LYS 33 HZ1 LYS 33 -12.053 1.980 1.655 247 HZ2 LYS 33 HZ2 LYS 33 -12.404 2.013 3.312 248 HZ3 LYS 33 HZ3 LYS 33 -13.263 0.975 2.285 249 H GLN 34 H GLN 34 -6.975 -3.817 0.904 250 HA GLN 34 HA GLN 34 -6.244 -3.811 -1.805 251 HB2 GLN 34 HB2 GLN 34 -7.400 -6.059 -0.136 252 HB3 GLN 34 HB3 GLN 34 -6.620 -6.270 -1.698 253 HG2 GLN 34 HG2 GLN 34 -4.517 -5.503 -0.804 254 HG3 GLN 34 HG3 GLN 34 -5.273 -5.129 0.746 255 HE21 GLN 34 HE21 GLN 34 -5.847 -6.813 2.120 256 HE22 GLN 34 HE22 GLN 34 -5.226 -8.413 1.927 257 H LEU 35 H LEU 35 -7.403 -5.101 -3.539 258 HA LEU 35 HA LEU 35 -9.764 -3.908 -4.346 259 HB2 LEU 35 HB2 LEU 35 -8.705 -6.637 -5.093 260 HB3 LEU 35 HB3 LEU 35 -9.971 -5.790 -5.964 261 HG LEU 35 HG LEU 35 -7.105 -4.855 -5.676 262 HD11 LEU 35 HD11 LEU 35 -6.918 -5.350 -8.059 263 HD12 LEU 35 HD12 LEU 35 -8.567 -5.977 -8.069 264 HD13 LEU 35 HD13 LEU 35 -7.316 -6.802 -7.139 265 HD21 LEU 35 HD21 LEU 35 -9.394 -3.670 -7.255 266 HD22 LEU 35 HD22 LEU 35 -7.720 -3.119 -7.291 267 HD23 LEU 35 HD23 LEU 35 -8.663 -2.976 -5.808 268 H ASP 36 H ASP 36 -9.380 -6.712 -2.268 269 HA ASP 36 HA ASP 36 -12.073 -7.656 -2.504 270 HB2 ASP 36 HB2 ASP 36 -10.516 -8.219 -0.022 271 HB3 ASP 36 HB3 ASP 36 -11.470 -9.310 -1.021 272 H GLY 37 H GLY 37 -10.806 -4.936 -0.999 273 HA2 GLY 37 HA2 GLY 37 -11.905 -3.377 0.356 274 HA3 GLY 37 HA3 GLY 37 -13.142 -4.576 0.706 275 H LYS 38 H LYS 38 -9.968 -5.767 1.069 276 HA LYS 38 HA LYS 38 -10.245 -5.719 3.990 277 HB2 LYS 38 HB2 LYS 38 -8.226 -7.268 2.352 278 HB3 LYS 38 HB3 LYS 38 -8.600 -7.487 4.053 279 HG2 LYS 38 HG2 LYS 38 -10.957 -8.113 3.277 280 HG3 LYS 38 HG3 LYS 38 -10.257 -8.229 1.660 281 HD2 LYS 38 HD2 LYS 38 -9.443 -9.801 4.112 282 HD3 LYS 38 HD3 LYS 38 -10.285 -10.420 2.695 283 HE2 LYS 38 HE2 LYS 38 -7.513 -9.228 2.595 284 HE3 LYS 38 HE3 LYS 38 -7.825 -10.947 2.816 285 HZ1 LYS 38 HZ1 LYS 38 -9.069 -10.874 0.679 286 HZ2 LYS 38 HZ2 LYS 38 -7.410 -10.567 0.527 287 HZ3 LYS 38 HZ3 LYS 38 -8.516 -9.292 0.451 288 H GLN 39 H GLN 39 -9.082 -4.358 5.199 289 HA GLN 39 HA GLN 39 -6.969 -2.751 4.081 290 HB2 GLN 39 HB2 GLN 39 -8.457 -1.769 5.721 291 HB3 GLN 39 HB3 GLN 39 -8.044 -3.009 6.897 292 HG2 GLN 39 HG2 GLN 39 -5.718 -2.154 6.929 293 HG3 GLN 39 HG3 GLN 39 -6.211 -0.861 5.836 294 HE21 GLN 39 HE21 GLN 39 -7.493 0.816 6.637 295 HE22 GLN 39 HE22 GLN 39 -7.707 1.075 8.329 296 H THR 40 H THR 40 -4.841 -3.202 4.063 297 HA THR 40 HA THR 40 -3.744 -4.976 6.152 298 HB THR 40 HB THR 40 -3.808 -6.339 4.143 299 HG1 THR 40 HG1 THR 40 -1.421 -6.598 3.916 300 HG21 THR 40 HG21 THR 40 -3.869 -4.545 2.463 301 HG22 THR 40 HG22 THR 40 -2.593 -5.711 2.110 302 HG23 THR 40 HG23 THR 40 -2.187 -4.150 2.824 303 H ARG 41 H ARG 41 -1.311 -4.742 6.335 304 HA ARG 41 HA ARG 41 -0.462 -1.961 5.856 305 HB2 ARG 41 HB2 ARG 41 -0.382 -3.341 8.554 306 HB3 ARG 41 HB3 ARG 41 0.274 -1.747 8.199 307 HG2 ARG 41 HG2 ARG 41 -1.961 -0.911 7.716 308 HG3 ARG 41 HG3 ARG 41 -2.639 -2.513 7.996 309 HD2 ARG 41 HD2 ARG 41 -1.155 -0.891 10.066 310 HD3 ARG 41 HD3 ARG 41 -2.911 -0.972 9.922 311 HE ARG 41 HE ARG 41 -2.082 -3.579 10.116 312 HH11 ARG 41 HH11 ARG 41 -1.776 -0.759 12.087 313 HH12 ARG 41 HH12 ARG 41 -1.723 -1.679 13.551 314 HH21 ARG 41 HH21 ARG 41 -2.036 -4.717 12.003 315 HH22 ARG 41 HH22 ARG 41 -1.871 -3.873 13.506 316 H ILE 42 H ILE 42 1.629 -1.792 5.251 317 HA ILE 42 HA ILE 42 3.511 -3.942 5.979 318 HB ILE 42 HB ILE 42 2.697 -4.287 3.646 319 HG12 ILE 42 HG12 ILE 42 5.632 -3.536 3.798 320 HG13 ILE 42 HG13 ILE 42 4.955 -5.033 4.434 321 HG21 ILE 42 HG21 ILE 42 4.089 -1.662 3.092 322 HG22 ILE 42 HG22 ILE 42 2.352 -1.955 3.009 323 HG23 ILE 42 HG23 ILE 42 3.436 -2.757 1.872 324 HD11 ILE 42 HD11 ILE 42 5.990 -5.395 2.284 325 HD12 ILE 42 HD12 ILE 42 4.958 -4.167 1.553 326 HD13 ILE 42 HD13 ILE 42 4.248 -5.658 2.178 327 H ASN 43 H ASN 43 5.769 -3.294 6.026 328 HA ASN 43 HA ASN 43 6.066 -0.860 7.380 329 HB2 ASN 43 HB2 ASN 43 7.489 -2.916 7.666 330 HB3 ASN 43 HB3 ASN 43 8.325 -2.469 6.181 331 HD21 ASN 43 HD21 ASN 43 10.295 -2.148 7.195 332 HD22 ASN 43 HD22 ASN 43 10.590 -0.834 8.278 333 H LYS 44 H LYS 44 7.191 1.006 6.943 334 HA LYS 44 HA LYS 44 6.574 2.300 4.573 335 HB2 LYS 44 HB2 LYS 44 8.083 4.101 5.427 336 HB3 LYS 44 HB3 LYS 44 6.914 3.513 6.604 337 HG2 LYS 44 HG2 LYS 44 8.716 2.038 7.537 338 HG3 LYS 44 HG3 LYS 44 9.854 2.860 6.469 339 HD2 LYS 44 HD2 LYS 44 9.371 4.989 7.550 340 HD3 LYS 44 HD3 LYS 44 8.154 4.217 8.570 341 HE2 LYS 44 HE2 LYS 44 11.115 3.604 8.570 342 HE3 LYS 44 HE3 LYS 44 10.257 4.555 9.782 343 HZ1 LYS 44 HZ1 LYS 44 8.956 2.593 10.342 344 HZ2 LYS 44 HZ2 LYS 44 10.608 2.291 10.526 345 HZ3 LYS 44 HZ3 LYS 44 9.787 1.682 9.184 346 H ASP 45 H ASP 45 9.406 0.357 5.195 347 HA ASP 45 HA ASP 45 10.964 1.658 3.106 348 HB2 ASP 45 HB2 ASP 45 12.756 0.122 3.749 349 HB3 ASP 45 HB3 ASP 45 12.086 0.931 5.161 350 H GLN 46 H GLN 46 8.760 -0.940 3.317 351 HA GLN 46 HA GLN 46 9.886 -2.558 1.219 352 HB2 GLN 46 HB2 GLN 46 7.120 -2.633 2.441 353 HB3 GLN 46 HB3 GLN 46 7.814 -3.864 1.393 354 HG2 GLN 46 HG2 GLN 46 8.799 -3.094 4.134 355 HG3 GLN 46 HG3 GLN 46 7.893 -4.546 3.720 356 HE21 GLN 46 HE21 GLN 46 10.961 -2.955 3.594 357 HE22 GLN 46 HE22 GLN 46 11.883 -4.320 3.073 358 H VAL 47 H VAL 47 7.927 0.257 1.238 359 HA VAL 47 HA VAL 47 6.575 -0.352 -1.258 360 HB VAL 47 HB VAL 47 5.331 0.915 0.376 361 HG11 VAL 47 HG11 VAL 47 7.186 2.009 1.534 362 HG12 VAL 47 HG12 VAL 47 5.950 3.173 1.063 363 HG13 VAL 47 HG13 VAL 47 7.447 3.058 0.139 364 HG21 VAL 47 HG21 VAL 47 6.051 2.661 -1.982 365 HG22 VAL 47 HG22 VAL 47 4.593 2.797 -0.998 366 HG23 VAL 47 HG23 VAL 47 4.862 1.358 -1.982 367 H ARG 48 H ARG 48 7.569 -0.168 -3.154 368 HA ARG 48 HA ARG 48 9.863 1.561 -3.529 369 HB2 ARG 48 HB2 ARG 48 9.718 -0.711 -4.557 370 HB3 ARG 48 HB3 ARG 48 8.411 -0.129 -5.581 371 HG2 ARG 48 HG2 ARG 48 9.908 1.480 -6.626 372 HG3 ARG 48 HG3 ARG 48 11.221 0.977 -5.562 373 HD2 ARG 48 HD2 ARG 48 11.592 -0.110 -7.626 374 HD3 ARG 48 HD3 ARG 48 10.963 -1.343 -6.537 375 HE ARG 48 HE ARG 48 8.920 -0.099 -8.116 376 HH11 ARG 48 HH11 ARG 48 11.326 -2.571 -8.084 377 HH12 ARG 48 HH12 ARG 48 10.575 -3.466 -9.361 378 HH21 ARG 48 HH21 ARG 48 8.000 -1.232 -9.787 379 HH22 ARG 48 HH22 ARG 48 8.735 -2.699 -10.337 380 H THR 49 H THR 49 6.748 1.237 -5.272 381 HA THR 49 HA THR 49 6.768 4.157 -5.726 382 HB THR 49 HB THR 49 5.929 3.832 -8.029 383 HG1 THR 49 HG1 THR 49 5.045 1.834 -8.112 384 HG21 THR 49 HG21 THR 49 8.324 4.178 -7.725 385 HG22 THR 49 HG22 THR 49 8.032 3.062 -9.059 386 HG23 THR 49 HG23 THR 49 8.565 2.445 -7.494 387 H VAL 50 H VAL 50 4.849 5.168 -5.512 388 HA VAL 50 HA VAL 50 2.420 3.514 -5.159 389 HB VAL 50 HB VAL 50 2.954 6.287 -4.053 390 HG11 VAL 50 HG11 VAL 50 0.624 4.410 -3.609 391 HG12 VAL 50 HG12 VAL 50 0.590 5.917 -4.527 392 HG13 VAL 50 HG13 VAL 50 0.874 5.951 -2.786 393 HG21 VAL 50 HG21 VAL 50 4.317 4.603 -2.918 394 HG22 VAL 50 HG22 VAL 50 2.879 3.624 -2.620 395 HG23 VAL 50 HG23 VAL 50 3.045 5.203 -1.853 396 H LYS 51 H LYS 51 1.325 3.535 -7.055 397 HA LYS 51 HA LYS 51 0.850 6.130 -8.364 398 HB2 LYS 51 HB2 LYS 51 1.699 3.589 -9.774 399 HB3 LYS 51 HB3 LYS 51 1.162 5.056 -10.584 400 HG2 LYS 51 HG2 LYS 51 3.049 6.277 -9.566 401 HG3 LYS 51 HG3 LYS 51 3.604 4.767 -8.840 402 HD2 LYS 51 HD2 LYS 51 3.932 3.794 -11.042 403 HD3 LYS 51 HD3 LYS 51 3.277 5.245 -11.806 404 HE2 LYS 51 HE2 LYS 51 5.133 6.556 -10.826 405 HE3 LYS 51 HE3 LYS 51 5.800 5.069 -10.154 406 HZ1 LYS 51 HZ1 LYS 51 6.877 5.703 -12.226 407 HZ2 LYS 51 HZ2 LYS 51 5.398 5.611 -13.047 408 HZ3 LYS 51 HZ3 LYS 51 6.087 4.217 -12.381 409 H ASP 52 H ASP 52 -1.059 6.332 -9.502 410 HA ASP 52 HA ASP 52 -3.214 4.575 -8.722 411 HB2 ASP 52 HB2 ASP 52 -3.198 7.028 -10.507 412 HB3 ASP 52 HB3 ASP 52 -4.641 6.203 -9.925 413 H LEU 53 H LEU 53 -4.733 3.649 -10.312 414 HA LEU 53 HA LEU 53 -3.451 2.561 -12.666 415 HB2 LEU 53 HB2 LEU 53 -6.337 2.425 -11.762 416 HB3 LEU 53 HB3 LEU 53 -5.664 1.532 -13.113 417 HG LEU 53 HG LEU 53 -4.956 1.176 -10.193 418 HD11 LEU 53 HD11 LEU 53 -6.318 -0.680 -12.144 419 HD12 LEU 53 HD12 LEU 53 -7.117 0.227 -10.860 420 HD13 LEU 53 HD13 LEU 53 -5.945 -1.025 -10.454 421 HD21 LEU 53 HD21 LEU 53 -3.539 -0.686 -10.954 422 HD22 LEU 53 HD22 LEU 53 -2.962 0.871 -11.546 423 HD23 LEU 53 HD23 LEU 53 -3.833 -0.215 -12.628 424 H LEU 54 H LEU 54 -4.703 5.509 -11.993 425 HA LEU 54 HA LEU 54 -6.019 5.988 -14.568 426 HB2 LEU 54 HB2 LEU 54 -5.708 7.858 -12.213 427 HB3 LEU 54 HB3 LEU 54 -6.809 8.039 -13.568 428 HG LEU 54 HG LEU 54 -6.968 5.868 -11.464 429 HD11 LEU 54 HD11 LEU 54 -8.688 8.318 -11.855 430 HD12 LEU 54 HD12 LEU 54 -7.534 8.053 -10.547 431 HD13 LEU 54 HD13 LEU 54 -8.965 7.032 -10.677 432 HD21 LEU 54 HD21 LEU 54 -7.815 5.105 -13.618 433 HD22 LEU 54 HD22 LEU 54 -8.848 6.531 -13.736 434 HD23 LEU 54 HD23 LEU 54 -9.138 5.332 -12.475 435 H GLU 55 H GLU 55 -2.994 5.724 -14.080 436 HA GLU 55 HA GLU 55 -1.673 8.162 -14.314 437 HB2 GLU 55 HB2 GLU 55 -0.893 5.491 -15.508 438 HB3 GLU 55 HB3 GLU 55 0.185 6.869 -15.335 439 HG2 GLU 55 HG2 GLU 55 -1.145 5.386 -13.073 440 HG3 GLU 55 HG3 GLU 55 0.528 5.192 -13.588 Start of MODEL 2 1 H1 MET 1 H1 MET 1 -15.004 8.855 0.032 2 H2 MET 1 H2 MET 1 -15.619 8.120 -1.360 3 H3 MET 1 H3 MET 1 -15.989 9.737 -1.023 4 HA MET 1 HA MET 1 -14.339 9.578 -2.760 5 HB2 MET 1 HB2 MET 1 -12.678 11.101 -1.789 6 HB3 MET 1 HB3 MET 1 -14.305 11.528 -1.283 7 HG2 MET 1 HG2 MET 1 -13.918 10.464 0.881 8 HG3 MET 1 HG3 MET 1 -12.287 10.023 0.375 9 HE1 MET 1 HE1 MET 1 -12.849 11.586 3.068 10 HE2 MET 1 HE2 MET 1 -11.614 12.844 3.015 11 HE3 MET 1 HE3 MET 1 -11.219 11.199 2.517 12 H ALA 2 H ALA 2 -12.633 8.546 -3.648 13 HA ALA 2 HA ALA 2 -10.507 7.334 -2.215 14 HB1 ALA 2 HB1 ALA 2 -10.992 4.982 -2.545 15 HB2 ALA 2 HB2 ALA 2 -12.534 5.376 -3.309 16 HB3 ALA 2 HB3 ALA 2 -12.283 5.725 -1.600 17 H SER 3 H SER 3 -9.486 5.513 -3.818 18 HA SER 3 HA SER 3 -9.753 6.121 -6.625 19 HB2 SER 3 HB2 SER 3 -8.389 8.050 -5.896 20 HB3 SER 3 HB3 SER 3 -7.211 6.954 -5.179 21 HG SER 3 HG SER 3 -6.327 6.795 -7.067 22 HA PRO 4 HA PRO 4 -7.972 1.993 -6.641 23 HB2 PRO 4 HB2 PRO 4 -7.446 1.728 -9.291 24 HB3 PRO 4 HB3 PRO 4 -9.087 1.652 -8.636 25 HG2 PRO 4 HG2 PRO 4 -7.684 3.945 -9.967 26 HG3 PRO 4 HG3 PRO 4 -9.350 3.372 -10.186 27 HD2 PRO 4 HD2 PRO 4 -8.698 5.515 -8.626 28 HD3 PRO 4 HD3 PRO 4 -10.103 4.478 -8.308 29 H THR 5 H THR 5 -5.991 1.750 -5.772 30 HA THR 5 HA THR 5 -3.718 3.221 -6.947 31 HB THR 5 HB THR 5 -4.020 2.219 -4.102 32 HG1 THR 5 HG1 THR 5 -4.457 4.743 -5.318 33 HG21 THR 5 HG21 THR 5 -1.684 2.289 -4.831 34 HG22 THR 5 HG22 THR 5 -2.007 3.556 -3.649 35 HG23 THR 5 HG23 THR 5 -1.889 3.957 -5.363 36 H VAL 6 H VAL 6 -1.761 2.190 -7.302 37 HA VAL 6 HA VAL 6 -1.663 -0.712 -6.777 38 HB VAL 6 HB VAL 6 -1.763 -0.367 -9.172 39 HG11 VAL 6 HG11 VAL 6 0.691 1.374 -8.895 40 HG12 VAL 6 HG12 VAL 6 -0.937 1.944 -9.260 41 HG13 VAL 6 HG13 VAL 6 -0.091 0.905 -10.407 42 HG21 VAL 6 HG21 VAL 6 1.050 -1.094 -8.331 43 HG22 VAL 6 HG22 VAL 6 0.269 -1.536 -9.850 44 HG23 VAL 6 HG23 VAL 6 -0.337 -2.182 -8.326 45 H ILE 7 H ILE 7 -0.349 -1.094 -5.142 46 HA ILE 7 HA ILE 7 1.828 0.741 -4.512 47 HB ILE 7 HB ILE 7 0.827 -1.687 -2.997 48 HG12 ILE 7 HG12 ILE 7 0.402 1.281 -2.527 49 HG13 ILE 7 HG13 ILE 7 -0.818 0.143 -3.093 50 HG21 ILE 7 HG21 ILE 7 2.812 0.443 -2.173 51 HG22 ILE 7 HG22 ILE 7 3.180 -1.250 -2.507 52 HG23 ILE 7 HG23 ILE 7 2.174 -0.824 -1.124 53 HD11 ILE 7 HD11 ILE 7 -1.135 0.623 -0.755 54 HD12 ILE 7 HD12 ILE 7 0.523 0.142 -0.396 55 HD13 ILE 7 HD13 ILE 7 -0.644 -1.059 -0.952 56 H THR 8 H THR 8 3.601 0.426 -5.697 57 HA THR 8 HA THR 8 4.468 -2.214 -6.522 58 HB THR 8 HB THR 8 5.808 0.483 -6.871 59 HG1 THR 8 HG1 THR 8 4.694 -0.903 -9.027 60 HG21 THR 8 HG21 THR 8 7.445 -1.323 -7.007 61 HG22 THR 8 HG22 THR 8 7.150 -0.646 -8.609 62 HG23 THR 8 HG23 THR 8 6.422 -2.187 -8.157 63 H LEU 9 H LEU 9 5.342 -3.455 -4.932 64 HA LEU 9 HA LEU 9 7.008 -2.375 -2.849 65 HB2 LEU 9 HB2 LEU 9 6.616 -5.264 -3.656 66 HB3 LEU 9 HB3 LEU 9 7.304 -4.691 -2.145 67 HG LEU 9 HG LEU 9 4.436 -4.357 -3.046 68 HD11 LEU 9 HD11 LEU 9 4.942 -6.619 -2.342 69 HD12 LEU 9 HD12 LEU 9 3.927 -5.817 -1.143 70 HD13 LEU 9 HD13 LEU 9 5.654 -6.020 -0.843 71 HD21 LEU 9 HD21 LEU 9 5.770 -3.432 -0.497 72 HD22 LEU 9 HD22 LEU 9 4.039 -3.375 -0.833 73 HD23 LEU 9 HD23 LEU 9 5.153 -2.397 -1.787 74 H ASN 10 H ASN 10 9.272 -2.904 -2.510 75 HA ASN 10 HA ASN 10 10.821 -2.470 -4.844 76 HB2 ASN 10 HB2 ASN 10 11.387 -1.770 -2.452 77 HB3 ASN 10 HB3 ASN 10 11.927 -3.427 -2.199 78 HD21 ASN 10 HD21 ASN 10 14.053 -2.747 -1.837 79 HD22 ASN 10 HD22 ASN 10 15.066 -2.210 -3.128 80 H ASP 11 H ASP 11 9.637 -5.358 -3.445 81 HA ASP 11 HA ASP 11 11.569 -7.164 -4.553 82 HB2 ASP 11 HB2 ASP 11 8.705 -7.692 -3.715 83 HB3 ASP 11 HB3 ASP 11 9.943 -8.912 -3.999 84 H GLY 12 H GLY 12 9.277 -5.221 -6.024 85 HA2 GLY 12 HA2 GLY 12 8.760 -5.150 -8.323 86 HA3 GLY 12 HA3 GLY 12 9.279 -6.821 -8.479 87 H ARG 13 H ARG 13 7.345 -6.619 -5.815 88 HA ARG 13 HA ARG 13 5.087 -7.837 -7.181 89 HB2 ARG 13 HB2 ARG 13 5.948 -8.854 -5.123 90 HB3 ARG 13 HB3 ARG 13 5.628 -7.368 -4.236 91 HG2 ARG 13 HG2 ARG 13 3.229 -7.642 -4.638 92 HG3 ARG 13 HG3 ARG 13 3.549 -9.130 -5.534 93 HD2 ARG 13 HD2 ARG 13 4.542 -10.112 -3.508 94 HD3 ARG 13 HD3 ARG 13 4.177 -8.631 -2.622 95 HE ARG 13 HE ARG 13 1.772 -9.407 -3.622 96 HH11 ARG 13 HH11 ARG 13 4.184 -10.915 -1.690 97 HH12 ARG 13 HH12 ARG 13 3.054 -11.945 -0.883 98 HH21 ARG 13 HH21 ARG 13 0.316 -10.724 -2.568 99 HH22 ARG 13 HH22 ARG 13 0.890 -11.858 -1.391 100 H GLU 14 H GLU 14 3.142 -6.881 -7.540 101 HA GLU 14 HA GLU 14 2.782 -4.119 -6.545 102 HB2 GLU 14 HB2 GLU 14 1.724 -5.454 -9.047 103 HB3 GLU 14 HB3 GLU 14 1.267 -3.836 -8.524 104 HG2 GLU 14 HG2 GLU 14 3.504 -3.038 -8.793 105 HG3 GLU 14 HG3 GLU 14 4.107 -4.666 -9.088 106 H ILE 15 H ILE 15 1.110 -3.653 -5.263 107 HA ILE 15 HA ILE 15 -0.994 -5.693 -4.859 108 HB ILE 15 HB ILE 15 -0.105 -3.484 -2.980 109 HG12 ILE 15 HG12 ILE 15 0.365 -6.481 -2.831 110 HG13 ILE 15 HG13 ILE 15 1.583 -5.279 -3.239 111 HG21 ILE 15 HG21 ILE 15 -2.064 -5.748 -2.543 112 HG22 ILE 15 HG22 ILE 15 -2.477 -4.044 -2.722 113 HG23 ILE 15 HG23 ILE 15 -1.545 -4.583 -1.325 114 HD11 ILE 15 HD11 ILE 15 0.158 -5.544 -0.599 115 HD12 ILE 15 HD12 ILE 15 1.340 -4.297 -1.002 116 HD13 ILE 15 HD13 ILE 15 1.828 -5.990 -0.947 117 H GLN 16 H GLN 16 -3.073 -5.185 -5.367 118 HA GLN 16 HA GLN 16 -3.592 -2.460 -6.342 119 HB2 GLN 16 HB2 GLN 16 -5.090 -5.048 -6.778 120 HB3 GLN 16 HB3 GLN 16 -5.610 -3.489 -7.403 121 HG2 GLN 16 HG2 GLN 16 -3.530 -3.326 -8.702 122 HG3 GLN 16 HG3 GLN 16 -3.043 -4.911 -8.098 123 HE21 GLN 16 HE21 GLN 16 -5.254 -3.198 -10.176 124 HE22 GLN 16 HE22 GLN 16 -5.803 -4.578 -11.054 125 H ALA 17 H ALA 17 -4.867 -1.078 -5.303 126 HA ALA 17 HA ALA 17 -6.621 -2.071 -3.142 127 HB1 ALA 17 HB1 ALA 17 -4.910 0.418 -3.080 128 HB2 ALA 17 HB2 ALA 17 -4.593 -1.079 -2.204 129 HB3 ALA 17 HB3 ALA 17 -6.013 -0.111 -1.809 130 H VAL 18 H VAL 18 -8.539 -0.929 -2.751 131 HA VAL 18 HA VAL 18 -9.522 0.731 -4.959 132 HB VAL 18 HB VAL 18 -11.748 0.437 -3.938 133 HG11 VAL 18 HG11 VAL 18 -10.983 -1.192 -5.576 134 HG12 VAL 18 HG12 VAL 18 -11.997 -1.964 -4.358 135 HG13 VAL 18 HG13 VAL 18 -10.245 -2.157 -4.297 136 HG21 VAL 18 HG21 VAL 18 -11.141 0.322 -1.592 137 HG22 VAL 18 HG22 VAL 18 -10.285 -1.199 -1.854 138 HG23 VAL 18 HG23 VAL 18 -12.038 -1.128 -2.040 139 H ASP 19 H ASP 19 -7.829 1.411 -2.323 140 HA ASP 19 HA ASP 19 -9.050 4.038 -1.941 141 HB2 ASP 19 HB2 ASP 19 -9.852 2.290 -0.175 142 HB3 ASP 19 HB3 ASP 19 -8.231 2.447 0.488 143 H THR 20 H THR 20 -7.534 5.523 -0.731 144 HA THR 20 HA THR 20 -4.927 5.232 -1.940 145 HB THR 20 HB THR 20 -4.491 7.515 -1.020 146 HG1 THR 20 HG1 THR 20 -5.717 8.124 0.598 147 HG21 THR 20 HG21 THR 20 -7.091 7.200 -2.539 148 HG22 THR 20 HG22 THR 20 -5.476 7.260 -3.246 149 HG23 THR 20 HG23 THR 20 -6.138 8.680 -2.434 150 HA PRO 21 HA PRO 21 -3.009 3.421 1.666 151 HB2 PRO 21 HB2 PRO 21 -0.400 3.801 0.900 152 HB3 PRO 21 HB3 PRO 21 -1.427 2.495 0.296 153 HG2 PRO 21 HG2 PRO 21 -0.771 5.130 -0.972 154 HG3 PRO 21 HG3 PRO 21 -0.854 3.522 -1.717 155 HD2 PRO 21 HD2 PRO 21 -2.856 5.308 -1.966 156 HD3 PRO 21 HD3 PRO 21 -3.172 3.563 -1.844 157 H LYS 22 H LYS 22 -3.168 4.572 3.489 158 HA LYS 22 HA LYS 22 -2.048 7.239 3.774 159 HB2 LYS 22 HB2 LYS 22 -4.156 6.908 4.834 160 HB3 LYS 22 HB3 LYS 22 -3.629 5.408 5.584 161 HG2 LYS 22 HG2 LYS 22 -2.041 6.736 6.980 162 HG3 LYS 22 HG3 LYS 22 -2.750 8.204 6.303 163 HD2 LYS 22 HD2 LYS 22 -4.896 7.687 7.261 164 HD3 LYS 22 HD3 LYS 22 -4.340 6.088 7.762 165 HE2 LYS 22 HE2 LYS 22 -3.281 8.724 8.807 166 HE3 LYS 22 HE3 LYS 22 -4.421 7.672 9.647 167 HZ1 LYS 22 HZ1 LYS 22 -2.184 7.329 10.460 168 HZ2 LYS 22 HZ2 LYS 22 -1.636 6.970 8.901 169 HZ3 LYS 22 HZ3 LYS 22 -2.729 5.936 9.666 170 H TYR 23 H TYR 23 -0.011 7.634 4.505 171 HA TYR 23 HA TYR 23 1.539 5.511 5.730 172 HB2 TYR 23 HB2 TYR 23 2.742 7.016 4.260 173 HB3 TYR 23 HB3 TYR 23 2.219 8.416 5.197 174 HD1 TYR 23 HD1 TYR 23 3.730 5.111 6.132 175 HD2 TYR 23 HD2 TYR 23 4.036 9.359 6.324 176 HE1 TYR 23 HE1 TYR 23 5.712 4.900 7.561 177 HE2 TYR 23 HE2 TYR 23 6.027 9.151 7.752 178 HH TYR 23 HH TYR 23 7.147 7.633 9.154 179 H ASP 24 H ASP 24 1.723 5.137 7.846 180 HA ASP 24 HA ASP 24 0.719 7.195 9.711 181 HB2 ASP 24 HB2 ASP 24 -0.607 5.061 9.544 182 HB3 ASP 24 HB3 ASP 24 0.801 4.201 10.163 183 H GLU 25 H GLU 25 2.570 8.252 10.281 184 HA GLU 25 HA GLU 25 5.129 7.177 10.610 185 HB2 GLU 25 HB2 GLU 25 4.720 9.563 10.389 186 HB3 GLU 25 HB3 GLU 25 3.856 9.589 11.919 187 HG2 GLU 25 HG2 GLU 25 5.989 8.904 13.043 188 HG3 GLU 25 HG3 GLU 25 6.802 9.118 11.492 189 H GLU 26 H GLU 26 2.423 7.145 12.786 190 HA GLU 26 HA GLU 26 3.830 6.807 15.228 191 HB2 GLU 26 HB2 GLU 26 0.997 5.972 14.563 192 HB3 GLU 26 HB3 GLU 26 1.662 6.217 16.173 193 HG2 GLU 26 HG2 GLU 26 1.305 8.345 14.063 194 HG3 GLU 26 HG3 GLU 26 0.279 8.101 15.476 195 H SER 27 H SER 27 2.213 4.453 13.088 196 HA SER 27 HA SER 27 3.342 2.221 14.595 197 HB2 SER 27 HB2 SER 27 2.022 0.794 13.107 198 HB3 SER 27 HB3 SER 27 1.012 2.094 13.739 199 HG SER 27 HG SER 27 1.069 3.102 11.794 200 H GLY 28 H GLY 28 3.964 3.974 11.658 201 HA2 GLY 28 HA2 GLY 28 5.912 3.909 10.367 202 HA3 GLY 28 HA3 GLY 28 6.377 2.419 11.168 203 H PHE 29 H PHE 29 3.172 2.323 10.058 204 HA PHE 29 HA PHE 29 4.006 0.729 7.710 205 HB2 PHE 29 HB2 PHE 29 1.510 0.412 9.400 206 HB3 PHE 29 HB3 PHE 29 1.960 -0.590 8.026 207 HD1 PHE 29 HD1 PHE 29 4.162 -1.907 8.203 208 HD2 PHE 29 HD2 PHE 29 2.190 -0.168 11.552 209 HE1 PHE 29 HE1 PHE 29 5.369 -3.433 9.705 210 HE2 PHE 29 HE2 PHE 29 3.399 -1.690 13.058 211 HZ PHE 29 HZ PHE 29 4.990 -3.327 12.134 212 H TYR 30 H TYR 30 2.433 0.602 5.929 213 HA TYR 30 HA TYR 30 0.878 3.070 5.543 214 HB2 TYR 30 HB2 TYR 30 2.016 1.028 3.646 215 HB3 TYR 30 HB3 TYR 30 0.673 2.044 3.136 216 HD1 TYR 30 HD1 TYR 30 4.182 2.168 4.388 217 HD2 TYR 30 HD2 TYR 30 1.034 4.247 2.411 218 HE1 TYR 30 HE1 TYR 30 5.749 3.965 3.781 219 HE2 TYR 30 HE2 TYR 30 2.593 6.045 1.802 220 HH TYR 30 HH TYR 30 5.959 5.747 2.078 221 H GLU 31 H GLU 31 -1.277 3.057 5.602 222 HA GLU 31 HA GLU 31 -2.701 0.509 5.922 223 HB2 GLU 31 HB2 GLU 31 -3.643 3.351 6.424 224 HB3 GLU 31 HB3 GLU 31 -4.518 1.881 6.842 225 HG2 GLU 31 HG2 GLU 31 -2.815 1.279 8.453 226 HG3 GLU 31 HG3 GLU 31 -1.833 2.660 7.971 227 H PHE 32 H PHE 32 -3.743 -0.316 4.191 228 HA PHE 32 HA PHE 32 -5.098 1.479 2.314 229 HB2 PHE 32 HB2 PHE 32 -4.091 0.349 0.350 230 HB3 PHE 32 HB3 PHE 32 -2.898 1.215 1.310 231 HD1 PHE 32 HD1 PHE 32 -1.399 -0.081 2.856 232 HD2 PHE 32 HD2 PHE 32 -3.900 -1.977 -0.029 233 HE1 PHE 32 HE1 PHE 32 -0.046 -2.125 3.028 234 HE2 PHE 32 HE2 PHE 32 -2.547 -4.024 0.143 235 HZ PHE 32 HZ PHE 32 -0.617 -4.098 1.673 236 H LYS 33 H LYS 33 -6.683 0.442 0.985 237 HA LYS 33 HA LYS 33 -7.614 -2.133 2.088 238 HB2 LYS 33 HB2 LYS 33 -9.122 -0.247 2.498 239 HB3 LYS 33 HB3 LYS 33 -9.190 0.089 0.775 240 HG2 LYS 33 HG2 LYS 33 -10.313 -2.021 0.369 241 HG3 LYS 33 HG3 LYS 33 -10.167 -2.454 2.075 242 HD2 LYS 33 HD2 LYS 33 -11.683 -0.056 1.026 243 HD3 LYS 33 HD3 LYS 33 -12.420 -1.598 1.468 244 HE2 LYS 33 HE2 LYS 33 -11.687 -1.334 3.764 245 HE3 LYS 33 HE3 LYS 33 -10.818 0.143 3.350 246 HZ1 LYS 33 HZ1 LYS 33 -13.758 -0.215 3.147 247 HZ2 LYS 33 HZ2 LYS 33 -12.901 1.212 2.835 248 HZ3 LYS 33 HZ3 LYS 33 -12.954 0.586 4.404 249 H GLN 34 H GLN 34 -7.103 -3.773 0.787 250 HA GLN 34 HA GLN 34 -6.394 -3.575 -1.927 251 HB2 GLN 34 HB2 GLN 34 -7.313 -5.998 -0.363 252 HB3 GLN 34 HB3 GLN 34 -6.527 -6.050 -1.934 253 HG2 GLN 34 HG2 GLN 34 -4.520 -5.031 -0.951 254 HG3 GLN 34 HG3 GLN 34 -5.310 -5.026 0.626 255 HE21 GLN 34 HE21 GLN 34 -5.654 -7.004 1.687 256 HE22 GLN 34 HE22 GLN 34 -4.800 -8.435 1.244 257 H LEU 35 H LEU 35 -7.451 -4.854 -3.725 258 HA LEU 35 HA LEU 35 -9.997 -3.951 -4.382 259 HB2 LEU 35 HB2 LEU 35 -8.628 -6.469 -5.346 260 HB3 LEU 35 HB3 LEU 35 -10.030 -5.739 -6.106 261 HG LEU 35 HG LEU 35 -7.255 -4.551 -5.930 262 HD11 LEU 35 HD11 LEU 35 -7.476 -6.355 -7.561 263 HD12 LEU 35 HD12 LEU 35 -7.266 -4.797 -8.360 264 HD13 LEU 35 HD13 LEU 35 -8.864 -5.541 -8.287 265 HD21 LEU 35 HD21 LEU 35 -8.936 -2.785 -5.733 266 HD22 LEU 35 HD22 LEU 35 -9.759 -3.391 -7.172 267 HD23 LEU 35 HD23 LEU 35 -8.135 -2.717 -7.300 268 H ASP 36 H ASP 36 -9.081 -6.812 -2.577 269 HA ASP 36 HA ASP 36 -11.611 -8.124 -2.736 270 HB2 ASP 36 HB2 ASP 36 -9.449 -9.271 -2.296 271 HB3 ASP 36 HB3 ASP 36 -9.383 -8.497 -0.716 272 H GLY 37 H GLY 37 -10.629 -5.391 -1.006 273 HA2 GLY 37 HA2 GLY 37 -12.125 -4.116 0.339 274 HA3 GLY 37 HA3 GLY 37 -12.959 -5.595 0.782 275 H LYS 38 H LYS 38 -9.976 -6.600 1.121 276 HA LYS 38 HA LYS 38 -9.877 -6.291 3.957 277 HB2 LYS 38 HB2 LYS 38 -7.889 -7.421 1.976 278 HB3 LYS 38 HB3 LYS 38 -7.633 -7.439 3.714 279 HG2 LYS 38 HG2 LYS 38 -9.607 -8.834 4.009 280 HG3 LYS 38 HG3 LYS 38 -9.916 -8.783 2.270 281 HD2 LYS 38 HD2 LYS 38 -7.877 -9.971 1.804 282 HD3 LYS 38 HD3 LYS 38 -7.363 -9.855 3.489 283 HE2 LYS 38 HE2 LYS 38 -8.221 -12.090 2.928 284 HE3 LYS 38 HE3 LYS 38 -9.182 -11.298 4.175 285 HZ1 LYS 38 HZ1 LYS 38 -10.496 -12.439 2.434 286 HZ2 LYS 38 HZ2 LYS 38 -9.912 -11.331 1.298 287 HZ3 LYS 38 HZ3 LYS 38 -10.862 -10.799 2.592 288 H GLN 39 H GLN 39 -9.343 -4.365 4.881 289 HA GLN 39 HA GLN 39 -7.250 -2.710 3.708 290 HB2 GLN 39 HB2 GLN 39 -9.233 -1.597 4.632 291 HB3 GLN 39 HB3 GLN 39 -8.901 -2.290 6.214 292 HG2 GLN 39 HG2 GLN 39 -6.910 -0.990 6.453 293 HG3 GLN 39 HG3 GLN 39 -7.003 -0.440 4.780 294 HE21 GLN 39 HE21 GLN 39 -7.001 1.721 5.403 295 HE22 GLN 39 HE22 GLN 39 -8.369 2.473 6.139 296 H THR 40 H THR 40 -5.222 -3.336 4.038 297 HA THR 40 HA THR 40 -4.456 -4.394 6.691 298 HB THR 40 HB THR 40 -4.531 -6.253 5.116 299 HG1 THR 40 HG1 THR 40 -2.828 -6.942 6.148 300 HG21 THR 40 HG21 THR 40 -3.053 -6.353 3.165 301 HG22 THR 40 HG22 THR 40 -2.510 -4.705 3.482 302 HG23 THR 40 HG23 THR 40 -4.185 -5.009 3.026 303 H ARG 41 H ARG 41 -2.003 -4.357 6.987 304 HA ARG 41 HA ARG 41 -0.974 -1.764 6.010 305 HB2 ARG 41 HB2 ARG 41 -0.791 -2.945 8.791 306 HB3 ARG 41 HB3 ARG 41 0.081 -1.509 8.268 307 HG2 ARG 41 HG2 ARG 41 -1.969 -0.314 7.909 308 HG3 ARG 41 HG3 ARG 41 -2.921 -1.767 8.218 309 HD2 ARG 41 HD2 ARG 41 -1.089 -0.511 10.257 310 HD3 ARG 41 HD3 ARG 41 -2.806 -0.129 10.123 311 HE ARG 41 HE ARG 41 -2.847 -2.799 10.355 312 HH11 ARG 41 HH11 ARG 41 -1.180 -0.402 12.181 313 HH12 ARG 41 HH12 ARG 41 -1.247 -1.310 13.648 314 HH21 ARG 41 HH21 ARG 41 -2.942 -3.950 12.264 315 HH22 ARG 41 HH22 ARG 41 -2.244 -3.276 13.697 316 H ILE 42 H ILE 42 1.107 -1.683 5.317 317 HA ILE 42 HA ILE 42 2.850 -4.026 5.803 318 HB ILE 42 HB ILE 42 1.942 -4.054 3.484 319 HG12 ILE 42 HG12 ILE 42 4.923 -3.503 3.604 320 HG13 ILE 42 HG13 ILE 42 4.164 -5.033 4.034 321 HG21 ILE 42 HG21 ILE 42 1.711 -1.652 3.125 322 HG22 ILE 42 HG22 ILE 42 2.699 -2.377 1.857 323 HG23 ILE 42 HG23 ILE 42 3.466 -1.464 3.157 324 HD11 ILE 42 HD11 ILE 42 5.115 -5.138 1.819 325 HD12 ILE 42 HD12 ILE 42 4.159 -3.746 1.315 326 HD13 ILE 42 HD13 ILE 42 3.359 -5.261 1.733 327 H ASN 43 H ASN 43 5.149 -3.576 5.851 328 HA ASN 43 HA ASN 43 5.721 -1.199 7.279 329 HB2 ASN 43 HB2 ASN 43 6.889 -3.445 7.510 330 HB3 ASN 43 HB3 ASN 43 7.787 -3.033 6.052 331 HD21 ASN 43 HD21 ASN 43 9.746 -3.003 7.138 332 HD22 ASN 43 HD22 ASN 43 10.175 -1.758 8.255 333 H LYS 44 H LYS 44 6.879 0.622 6.759 334 HA LYS 44 HA LYS 44 6.344 1.666 4.206 335 HB2 LYS 44 HB2 LYS 44 7.625 3.658 4.989 336 HB3 LYS 44 HB3 LYS 44 6.358 3.123 6.084 337 HG2 LYS 44 HG2 LYS 44 8.051 2.024 7.493 338 HG3 LYS 44 HG3 LYS 44 9.315 2.600 6.404 339 HD2 LYS 44 HD2 LYS 44 8.754 4.905 6.911 340 HD3 LYS 44 HD3 LYS 44 7.398 4.385 7.907 341 HE2 LYS 44 HE2 LYS 44 8.951 3.289 9.454 342 HE3 LYS 44 HE3 LYS 44 10.308 3.811 8.455 343 HZ1 LYS 44 HZ1 LYS 44 9.726 6.101 8.905 344 HZ2 LYS 44 HZ2 LYS 44 9.974 5.267 10.351 345 HZ3 LYS 44 HZ3 LYS 44 8.402 5.623 9.842 346 H ASP 45 H ASP 45 9.045 -0.208 5.153 347 HA ASP 45 HA ASP 45 10.889 1.048 3.298 348 HB2 ASP 45 HB2 ASP 45 12.475 -0.679 3.994 349 HB3 ASP 45 HB3 ASP 45 11.745 0.110 5.387 350 H GLN 46 H GLN 46 8.576 -1.526 3.206 351 HA GLN 46 HA GLN 46 9.741 -2.931 0.983 352 HB2 GLN 46 HB2 GLN 46 6.949 -3.068 2.129 353 HB3 GLN 46 HB3 GLN 46 7.594 -4.166 0.918 354 HG2 GLN 46 HG2 GLN 46 8.665 -3.830 3.716 355 HG3 GLN 46 HG3 GLN 46 7.596 -5.123 3.182 356 HE21 GLN 46 HE21 GLN 46 9.043 -6.742 3.658 357 HE22 GLN 46 HE22 GLN 46 10.494 -7.007 2.763 358 H VAL 47 H VAL 47 7.505 -0.261 1.278 359 HA VAL 47 HA VAL 47 6.466 -0.517 -1.391 360 HB VAL 47 HB VAL 47 5.087 0.534 0.306 361 HG11 VAL 47 HG11 VAL 47 7.161 2.729 0.397 362 HG12 VAL 47 HG12 VAL 47 6.824 1.562 1.675 363 HG13 VAL 47 HG13 VAL 47 5.602 2.750 1.222 364 HG21 VAL 47 HG21 VAL 47 5.888 2.506 -1.841 365 HG22 VAL 47 HG22 VAL 47 4.369 2.514 -0.942 366 HG23 VAL 47 HG23 VAL 47 4.743 1.177 -2.030 367 H ARG 48 H ARG 48 7.518 -0.037 -3.179 368 HA ARG 48 HA ARG 48 9.859 1.654 -3.208 369 HB2 ARG 48 HB2 ARG 48 9.646 -0.425 -4.601 370 HB3 ARG 48 HB3 ARG 48 8.412 0.391 -5.551 371 HG2 ARG 48 HG2 ARG 48 10.485 0.514 -6.738 372 HG3 ARG 48 HG3 ARG 48 10.093 2.130 -6.145 373 HD2 ARG 48 HD2 ARG 48 11.594 1.678 -4.186 374 HD3 ARG 48 HD3 ARG 48 12.081 0.180 -4.981 375 HE ARG 48 HE ARG 48 12.464 2.787 -6.295 376 HH11 ARG 48 HH11 ARG 48 13.737 -0.174 -5.078 377 HH12 ARG 48 HH12 ARG 48 15.315 0.112 -5.714 378 HH21 ARG 48 HH21 ARG 48 14.501 3.153 -7.100 379 HH22 ARG 48 HH22 ARG 48 15.752 1.986 -6.833 380 H THR 49 H THR 49 6.844 1.711 -5.152 381 HA THR 49 HA THR 49 6.912 4.667 -5.068 382 HB THR 49 HB THR 49 6.068 4.745 -7.395 383 HG1 THR 49 HG1 THR 49 5.177 2.850 -7.920 384 HG21 THR 49 HG21 THR 49 8.474 4.974 -7.009 385 HG22 THR 49 HG22 THR 49 8.161 4.137 -8.530 386 HG23 THR 49 HG23 THR 49 8.665 3.223 -7.106 387 H VAL 50 H VAL 50 5.013 5.669 -4.643 388 HA VAL 50 HA VAL 50 2.601 3.998 -4.335 389 HB VAL 50 HB VAL 50 3.145 6.781 -3.258 390 HG11 VAL 50 HG11 VAL 50 0.860 4.879 -2.693 391 HG12 VAL 50 HG12 VAL 50 0.757 6.372 -3.627 392 HG13 VAL 50 HG13 VAL 50 1.125 6.435 -1.903 393 HG21 VAL 50 HG21 VAL 50 3.172 4.107 -1.844 394 HG22 VAL 50 HG22 VAL 50 3.340 5.681 -1.065 395 HG23 VAL 50 HG23 VAL 50 4.578 5.117 -2.188 396 H LYS 51 H LYS 51 1.670 3.960 -6.370 397 HA LYS 51 HA LYS 51 0.739 6.553 -7.405 398 HB2 LYS 51 HB2 LYS 51 2.078 4.372 -9.006 399 HB3 LYS 51 HB3 LYS 51 1.091 5.628 -9.745 400 HG2 LYS 51 HG2 LYS 51 2.631 7.298 -8.601 401 HG3 LYS 51 HG3 LYS 51 3.696 5.926 -8.278 402 HD2 LYS 51 HD2 LYS 51 4.225 5.636 -10.506 403 HD3 LYS 51 HD3 LYS 51 2.716 6.365 -11.071 404 HE2 LYS 51 HE2 LYS 51 5.094 7.800 -9.883 405 HE3 LYS 51 HE3 LYS 51 4.547 7.860 -11.558 406 HZ1 LYS 51 HZ1 LYS 51 3.775 9.810 -10.504 407 HZ2 LYS 51 HZ2 LYS 51 3.174 8.957 -9.170 408 HZ3 LYS 51 HZ3 LYS 51 2.421 8.808 -10.679 409 H ASP 52 H ASP 52 -1.128 6.485 -8.745 410 HA ASP 52 HA ASP 52 -2.950 4.333 -8.022 411 HB2 ASP 52 HB2 ASP 52 -3.484 6.884 -9.560 412 HB3 ASP 52 HB3 ASP 52 -4.701 5.769 -8.946 413 H LEU 53 H LEU 53 -4.313 3.301 -9.626 414 HA LEU 53 HA LEU 53 -3.052 2.566 -12.075 415 HB2 LEU 53 HB2 LEU 53 -5.932 2.261 -11.176 416 HB3 LEU 53 HB3 LEU 53 -5.234 1.481 -12.585 417 HG LEU 53 HG LEU 53 -4.369 1.000 -9.724 418 HD11 LEU 53 HD11 LEU 53 -6.028 -0.699 -11.589 419 HD12 LEU 53 HD12 LEU 53 -6.580 0.092 -10.111 420 HD13 LEU 53 HD13 LEU 53 -5.400 -1.214 -10.022 421 HD21 LEU 53 HD21 LEU 53 -3.076 -0.862 -10.676 422 HD22 LEU 53 HD22 LEU 53 -2.537 0.697 -11.298 423 HD23 LEU 53 HD23 LEU 53 -3.544 -0.350 -12.299 424 H LEU 54 H LEU 54 -5.231 5.077 -11.089 425 HA LEU 54 HA LEU 54 -5.296 6.142 -13.843 426 HB2 LEU 54 HB2 LEU 54 -7.454 6.452 -11.741 427 HB3 LEU 54 HB3 LEU 54 -7.499 7.095 -13.372 428 HG LEU 54 HG LEU 54 -7.499 4.153 -12.663 429 HD11 LEU 54 HD11 LEU 54 -9.757 5.911 -13.624 430 HD12 LEU 54 HD12 LEU 54 -9.582 5.242 -12.002 431 HD13 LEU 54 HD13 LEU 54 -9.832 4.167 -13.376 432 HD21 LEU 54 HD21 LEU 54 -6.459 4.562 -14.820 433 HD22 LEU 54 HD22 LEU 54 -7.835 5.544 -15.322 434 HD23 LEU 54 HD23 LEU 54 -8.042 3.817 -15.036 435 H GLU 55 H GLU 55 -3.509 7.516 -13.526 436 HA GLU 55 HA GLU 55 -3.767 9.580 -11.432 437 HB2 GLU 55 HB2 GLU 55 -1.375 8.838 -13.133 438 HB3 GLU 55 HB3 GLU 55 -1.392 10.125 -11.937 439 HG2 GLU 55 HG2 GLU 55 -1.966 8.356 -10.223 440 HG3 GLU 55 HG3 GLU 55 -1.617 7.161 -11.473 Start of MODEL 3 1 H1 MET 1 H1 MET 1 -13.211 11.519 -6.067 2 H2 MET 1 H2 MET 1 -12.210 10.962 -7.314 3 H3 MET 1 H3 MET 1 -12.062 12.553 -6.763 4 HA MET 1 HA MET 1 -10.271 11.170 -5.949 5 HB2 MET 1 HB2 MET 1 -10.490 11.701 -3.550 6 HB3 MET 1 HB3 MET 1 -10.958 13.049 -4.574 7 HG2 MET 1 HG2 MET 1 -13.327 12.469 -4.213 8 HG3 MET 1 HG3 MET 1 -12.819 11.169 -3.133 9 HE1 MET 1 HE1 MET 1 -14.410 12.224 -1.212 10 HE2 MET 1 HE2 MET 1 -14.873 13.500 -2.341 11 HE3 MET 1 HE3 MET 1 -14.320 13.913 -0.718 12 H ALA 2 H ALA 2 -9.874 9.694 -3.859 13 HA ALA 2 HA ALA 2 -9.811 7.520 -3.184 14 HB1 ALA 2 HB1 ALA 2 -11.882 6.399 -2.668 15 HB2 ALA 2 HB2 ALA 2 -12.783 7.479 -3.734 16 HB3 ALA 2 HB3 ALA 2 -12.055 8.107 -2.258 17 H SER 3 H SER 3 -8.702 7.575 -5.433 18 HA SER 3 HA SER 3 -10.053 5.992 -7.479 19 HB2 SER 3 HB2 SER 3 -7.205 7.050 -7.515 20 HB3 SER 3 HB3 SER 3 -8.160 6.505 -8.893 21 HG SER 3 HG SER 3 -8.000 8.945 -7.859 22 HA PRO 4 HA PRO 4 -8.113 2.089 -6.387 23 HB2 PRO 4 HB2 PRO 4 -7.594 1.066 -8.889 24 HB3 PRO 4 HB3 PRO 4 -9.187 1.027 -8.125 25 HG2 PRO 4 HG2 PRO 4 -8.105 2.961 -10.146 26 HG3 PRO 4 HG3 PRO 4 -9.700 2.183 -10.085 27 HD2 PRO 4 HD2 PRO 4 -9.349 4.723 -9.280 28 HD3 PRO 4 HD3 PRO 4 -10.483 3.639 -8.444 29 H THR 5 H THR 5 -6.090 2.131 -5.552 30 HA THR 5 HA THR 5 -3.902 3.327 -7.140 31 HB THR 5 HB THR 5 -4.065 2.952 -4.136 32 HG1 THR 5 HG1 THR 5 -4.540 5.212 -5.814 33 HG21 THR 5 HG21 THR 5 -2.101 4.407 -4.055 34 HG22 THR 5 HG22 THR 5 -2.062 4.474 -5.817 35 HG23 THR 5 HG23 THR 5 -1.760 2.948 -4.986 36 H VAL 6 H VAL 6 -2.166 2.131 -7.701 37 HA VAL 6 HA VAL 6 -1.909 -0.583 -6.574 38 HB VAL 6 HB VAL 6 -2.209 -0.541 -9.008 39 HG11 VAL 6 HG11 VAL 6 -1.254 1.639 -9.517 40 HG12 VAL 6 HG12 VAL 6 -0.490 0.383 -10.492 41 HG13 VAL 6 HG13 VAL 6 0.356 1.053 -9.097 42 HG21 VAL 6 HG21 VAL 6 -0.288 -1.941 -9.622 43 HG22 VAL 6 HG22 VAL 6 -0.888 -2.343 -8.014 44 HG23 VAL 6 HG23 VAL 6 0.582 -1.383 -8.193 45 H ILE 7 H ILE 7 -0.220 -1.062 -5.323 46 HA ILE 7 HA ILE 7 1.927 0.936 -5.022 47 HB ILE 7 HB ILE 7 1.149 -1.318 -3.153 48 HG12 ILE 7 HG12 ILE 7 0.606 1.661 -2.935 49 HG13 ILE 7 HG13 ILE 7 -0.596 0.435 -3.323 50 HG21 ILE 7 HG21 ILE 7 2.606 -0.163 -1.530 51 HG22 ILE 7 HG22 ILE 7 3.080 0.979 -2.788 52 HG23 ILE 7 HG23 ILE 7 3.499 -0.728 -2.945 53 HD11 ILE 7 HD11 ILE 7 -0.766 1.100 -1.008 54 HD12 ILE 7 HD12 ILE 7 0.925 0.682 -0.737 55 HD13 ILE 7 HD13 ILE 7 -0.244 -0.583 -1.118 56 H THR 8 H THR 8 3.752 0.481 -6.103 57 HA THR 8 HA THR 8 4.543 -2.271 -6.675 58 HB THR 8 HB THR 8 5.920 0.342 -7.380 59 HG1 THR 8 HG1 THR 8 3.968 -1.234 -8.643 60 HG21 THR 8 HG21 THR 8 7.524 -1.500 -7.314 61 HG22 THR 8 HG22 THR 8 7.212 -1.026 -8.984 62 HG23 THR 8 HG23 THR 8 6.465 -2.482 -8.327 63 H LEU 9 H LEU 9 5.889 -3.410 -5.398 64 HA LEU 9 HA LEU 9 7.069 -2.067 -3.091 65 HB2 LEU 9 HB2 LEU 9 6.913 -5.021 -3.708 66 HB3 LEU 9 HB3 LEU 9 7.402 -4.303 -2.180 67 HG LEU 9 HG LEU 9 4.636 -4.169 -3.406 68 HD11 LEU 9 HD11 LEU 9 5.154 -6.360 -2.489 69 HD12 LEU 9 HD12 LEU 9 3.983 -5.528 -1.468 70 HD13 LEU 9 HD13 LEU 9 5.673 -5.625 -0.972 71 HD21 LEU 9 HD21 LEU 9 5.157 -2.105 -2.210 72 HD22 LEU 9 HD22 LEU 9 5.651 -3.036 -0.794 73 HD23 LEU 9 HD23 LEU 9 3.969 -3.061 -1.324 74 H ASN 10 H ASN 10 9.214 -2.582 -2.351 75 HA ASN 10 HA ASN 10 11.274 -2.128 -4.164 76 HB2 ASN 10 HB2 ASN 10 11.309 -1.769 -1.675 77 HB3 ASN 10 HB3 ASN 10 11.493 -3.504 -1.469 78 HD21 ASN 10 HD21 ASN 10 13.215 -1.227 -0.746 79 HD22 ASN 10 HD22 ASN 10 14.754 -1.574 -1.447 80 H ASP 11 H ASP 11 9.954 -5.130 -2.912 81 HA ASP 11 HA ASP 11 11.838 -6.944 -3.968 82 HB2 ASP 11 HB2 ASP 11 8.889 -7.484 -3.554 83 HB3 ASP 11 HB3 ASP 11 10.223 -8.633 -3.455 84 H GLY 12 H GLY 12 9.121 -5.293 -5.415 85 HA2 GLY 12 HA2 GLY 12 9.113 -5.142 -7.884 86 HA3 GLY 12 HA3 GLY 12 9.452 -6.865 -7.908 87 H ARG 13 H ARG 13 7.497 -7.188 -5.590 88 HA ARG 13 HA ARG 13 5.213 -7.894 -7.093 89 HB2 ARG 13 HB2 ARG 13 5.735 -9.023 -5.015 90 HB3 ARG 13 HB3 ARG 13 5.567 -7.527 -4.108 91 HG2 ARG 13 HG2 ARG 13 3.175 -7.464 -4.652 92 HG3 ARG 13 HG3 ARG 13 3.344 -8.969 -5.557 93 HD2 ARG 13 HD2 ARG 13 4.000 -10.139 -3.525 94 HD3 ARG 13 HD3 ARG 13 3.920 -8.635 -2.609 95 HE ARG 13 HE ARG 13 1.426 -8.871 -3.659 96 HH11 ARG 13 HH11 ARG 13 3.409 -11.003 -1.821 97 HH12 ARG 13 HH12 ARG 13 2.064 -11.739 -1.023 98 HH21 ARG 13 HH21 ARG 13 -0.281 -9.815 -2.637 99 HH22 ARG 13 HH22 ARG 13 -0.011 -11.067 -1.478 100 H GLU 14 H GLU 14 3.213 -6.931 -7.378 101 HA GLU 14 HA GLU 14 2.917 -4.153 -6.392 102 HB2 GLU 14 HB2 GLU 14 1.807 -5.426 -8.907 103 HB3 GLU 14 HB3 GLU 14 1.388 -3.813 -8.343 104 HG2 GLU 14 HG2 GLU 14 3.739 -3.137 -8.561 105 HG3 GLU 14 HG3 GLU 14 4.134 -4.749 -9.158 106 H ILE 15 H ILE 15 1.225 -3.719 -5.093 107 HA ILE 15 HA ILE 15 -0.937 -5.728 -4.864 108 HB ILE 15 HB ILE 15 -0.107 -3.721 -2.747 109 HG12 ILE 15 HG12 ILE 15 0.547 -6.685 -2.934 110 HG13 ILE 15 HG13 ILE 15 1.697 -5.368 -3.147 111 HG21 ILE 15 HG21 ILE 15 -1.503 -5.089 -1.263 112 HG22 ILE 15 HG22 ILE 15 -1.935 -6.131 -2.620 113 HG23 ILE 15 HG23 ILE 15 -2.442 -4.440 -2.606 114 HD11 ILE 15 HD11 ILE 15 1.887 -6.382 -0.947 115 HD12 ILE 15 HD12 ILE 15 0.199 -6.003 -0.612 116 HD13 ILE 15 HD13 ILE 15 1.370 -4.701 -0.825 117 H GLN 16 H GLN 16 -2.976 -5.098 -5.356 118 HA GLN 16 HA GLN 16 -3.397 -2.309 -6.146 119 HB2 GLN 16 HB2 GLN 16 -5.089 -4.767 -6.627 120 HB3 GLN 16 HB3 GLN 16 -5.427 -3.163 -7.265 121 HG2 GLN 16 HG2 GLN 16 -3.356 -3.224 -8.552 122 HG3 GLN 16 HG3 GLN 16 -2.982 -4.815 -7.891 123 HE21 GLN 16 HE21 GLN 16 -5.004 -3.033 -10.076 124 HE22 GLN 16 HE22 GLN 16 -5.649 -4.398 -10.912 125 H ALA 17 H ALA 17 -4.782 -0.944 -5.196 126 HA ALA 17 HA ALA 17 -6.551 -1.931 -3.046 127 HB1 ALA 17 HB1 ALA 17 -6.029 0.061 -1.733 128 HB2 ALA 17 HB2 ALA 17 -4.904 0.603 -2.980 129 HB3 ALA 17 HB3 ALA 17 -4.567 -0.867 -2.067 130 H VAL 18 H VAL 18 -8.427 -0.564 -2.621 131 HA VAL 18 HA VAL 18 -9.527 0.521 -5.083 132 HB VAL 18 HB VAL 18 -11.641 0.740 -3.837 133 HG11 VAL 18 HG11 VAL 18 -10.285 -1.937 -3.498 134 HG12 VAL 18 HG12 VAL 18 -11.127 -1.368 -4.939 135 HG13 VAL 18 HG13 VAL 18 -12.027 -1.658 -3.449 136 HG21 VAL 18 HG21 VAL 18 -10.074 -0.326 -1.482 137 HG22 VAL 18 HG22 VAL 18 -11.822 -0.101 -1.536 138 HG23 VAL 18 HG23 VAL 18 -10.750 1.296 -1.632 139 H ASP 19 H ASP 19 -7.992 1.790 -2.300 140 HA ASP 19 HA ASP 19 -8.397 4.483 -3.336 141 HB2 ASP 19 HB2 ASP 19 -8.775 5.394 -1.030 142 HB3 ASP 19 HB3 ASP 19 -10.106 4.430 -1.658 143 H THR 20 H THR 20 -6.928 6.063 -1.877 144 HA THR 20 HA THR 20 -4.271 5.055 -2.371 145 HB THR 20 HB THR 20 -3.468 7.292 -1.853 146 HG1 THR 20 HG1 THR 20 -4.912 7.732 -0.087 147 HG21 THR 20 HG21 THR 20 -4.445 6.940 -4.073 148 HG22 THR 20 HG22 THR 20 -4.737 8.586 -3.510 149 HG23 THR 20 HG23 THR 20 -6.035 7.392 -3.453 150 HA PRO 21 HA PRO 21 -3.462 3.394 1.638 151 HB2 PRO 21 HB2 PRO 21 -0.706 3.568 1.615 152 HB3 PRO 21 HB3 PRO 21 -1.637 2.311 0.793 153 HG2 PRO 21 HG2 PRO 21 -0.483 4.846 -0.322 154 HG3 PRO 21 HG3 PRO 21 -0.468 3.212 -1.013 155 HD2 PRO 21 HD2 PRO 21 -2.204 5.051 -1.877 156 HD3 PRO 21 HD3 PRO 21 -2.690 3.351 -1.707 157 H LYS 22 H LYS 22 -3.542 4.206 3.617 158 HA LYS 22 HA LYS 22 -2.654 6.915 4.210 159 HB2 LYS 22 HB2 LYS 22 -4.760 6.341 5.156 160 HB3 LYS 22 HB3 LYS 22 -4.162 4.798 5.750 161 HG2 LYS 22 HG2 LYS 22 -2.688 6.069 7.332 162 HG3 LYS 22 HG3 LYS 22 -3.512 7.544 6.821 163 HD2 LYS 22 HD2 LYS 22 -5.618 6.724 7.652 164 HD3 LYS 22 HD3 LYS 22 -4.922 5.134 7.977 165 HE2 LYS 22 HE2 LYS 22 -4.187 7.724 9.359 166 HE3 LYS 22 HE3 LYS 22 -5.152 6.414 10.042 167 HZ1 LYS 22 HZ1 LYS 22 -3.194 4.952 9.782 168 HZ2 LYS 22 HZ2 LYS 22 -2.908 6.245 10.839 169 HZ3 LYS 22 HZ3 LYS 22 -2.289 6.286 9.271 170 H TYR 23 H TYR 23 -0.558 7.261 4.802 171 HA TYR 23 HA TYR 23 1.049 5.123 5.918 172 HB2 TYR 23 HB2 TYR 23 2.140 6.665 4.400 173 HB3 TYR 23 HB3 TYR 23 1.679 8.041 5.396 174 HD1 TYR 23 HD1 TYR 23 3.480 4.772 5.859 175 HD2 TYR 23 HD2 TYR 23 3.385 8.953 6.678 176 HE1 TYR 23 HE1 TYR 23 5.606 4.578 7.081 177 HE2 TYR 23 HE2 TYR 23 5.508 8.764 7.903 178 HH TYR 23 HH TYR 23 6.812 7.033 9.085 179 H ASP 24 H ASP 24 0.898 4.581 7.996 180 HA ASP 24 HA ASP 24 0.101 6.604 9.970 181 HB2 ASP 24 HB2 ASP 24 -1.091 4.371 9.820 182 HB3 ASP 24 HB3 ASP 24 0.397 3.619 10.396 183 H GLU 25 H GLU 25 1.930 7.735 10.428 184 HA GLU 25 HA GLU 25 4.542 6.686 10.464 185 HB2 GLU 25 HB2 GLU 25 3.978 9.073 10.125 186 HB3 GLU 25 HB3 GLU 25 3.513 9.188 11.817 187 HG2 GLU 25 HG2 GLU 25 5.805 8.674 12.492 188 HG3 GLU 25 HG3 GLU 25 6.271 8.521 10.798 189 H GLU 26 H GLU 26 2.135 6.982 12.981 190 HA GLU 26 HA GLU 26 3.776 6.718 15.240 191 HB2 GLU 26 HB2 GLU 26 0.922 5.769 14.887 192 HB3 GLU 26 HB3 GLU 26 1.730 6.065 16.422 193 HG2 GLU 26 HG2 GLU 26 1.075 8.126 14.317 194 HG3 GLU 26 HG3 GLU 26 0.251 7.903 15.861 195 H SER 27 H SER 27 2.149 4.223 13.285 196 HA SER 27 HA SER 27 3.471 2.095 14.780 197 HB2 SER 27 HB2 SER 27 2.208 0.561 13.354 198 HB3 SER 27 HB3 SER 27 1.131 1.800 13.998 199 HG SER 27 HG SER 27 0.819 2.560 12.050 200 H GLY 28 H GLY 28 3.889 3.852 11.802 201 HA2 GLY 28 HA2 GLY 28 5.872 3.955 10.550 202 HA3 GLY 28 HA3 GLY 28 6.424 2.482 11.326 203 H PHE 29 H PHE 29 3.236 2.229 10.160 204 HA PHE 29 HA PHE 29 4.204 0.719 7.805 205 HB2 PHE 29 HB2 PHE 29 1.683 0.221 9.409 206 HB3 PHE 29 HB3 PHE 29 2.293 -0.764 8.083 207 HD1 PHE 29 HD1 PHE 29 4.618 -1.837 8.409 208 HD2 PHE 29 HD2 PHE 29 2.268 -0.298 11.606 209 HE1 PHE 29 HE1 PHE 29 5.900 -3.200 10.006 210 HE2 PHE 29 HE2 PHE 29 3.547 -1.656 13.205 211 HZ PHE 29 HZ PHE 29 5.370 -3.107 12.407 212 H TYR 30 H TYR 30 2.737 0.554 5.977 213 HA TYR 30 HA TYR 30 1.003 2.899 5.610 214 HB2 TYR 30 HB2 TYR 30 2.188 0.910 3.659 215 HB3 TYR 30 HB3 TYR 30 0.944 2.063 3.195 216 HD1 TYR 30 HD1 TYR 30 4.424 1.795 4.483 217 HD2 TYR 30 HD2 TYR 30 1.498 4.293 2.652 218 HE1 TYR 30 HE1 TYR 30 6.155 3.480 4.020 219 HE2 TYR 30 HE2 TYR 30 3.226 5.983 2.187 220 HH TYR 30 HH TYR 30 6.563 5.338 2.510 221 H GLU 31 H GLU 31 -1.124 2.659 5.861 222 HA GLU 31 HA GLU 31 -2.305 -0.031 5.869 223 HB2 GLU 31 HB2 GLU 31 -3.536 2.596 6.765 224 HB3 GLU 31 HB3 GLU 31 -4.205 0.989 7.012 225 HG2 GLU 31 HG2 GLU 31 -2.305 0.425 8.457 226 HG3 GLU 31 HG3 GLU 31 -1.654 2.046 8.223 227 H PHE 32 H PHE 32 -3.344 -0.705 4.084 228 HA PHE 32 HA PHE 32 -4.714 1.279 2.390 229 HB2 PHE 32 HB2 PHE 32 -3.862 0.112 0.357 230 HB3 PHE 32 HB3 PHE 32 -2.595 0.890 1.295 231 HD1 PHE 32 HD1 PHE 32 -1.110 -0.516 2.756 232 HD2 PHE 32 HD2 PHE 32 -3.822 -2.226 -0.053 233 HE1 PHE 32 HE1 PHE 32 0.122 -2.642 2.858 234 HE2 PHE 32 HE2 PHE 32 -2.588 -4.348 0.048 235 HZ PHE 32 HZ PHE 32 -0.611 -4.559 1.507 236 H LYS 33 H LYS 33 -6.540 0.587 1.326 237 HA LYS 33 HA LYS 33 -7.652 -1.967 2.249 238 HB2 LYS 33 HB2 LYS 33 -8.975 0.090 2.631 239 HB3 LYS 33 HB3 LYS 33 -9.022 0.371 0.893 240 HG2 LYS 33 HG2 LYS 33 -10.229 -1.779 0.618 241 HG3 LYS 33 HG3 LYS 33 -10.258 -1.952 2.374 242 HD2 LYS 33 HD2 LYS 33 -11.515 0.289 0.783 243 HD3 LYS 33 HD3 LYS 33 -12.373 -1.057 1.537 244 HE2 LYS 33 HE2 LYS 33 -11.622 -0.288 3.745 245 HE3 LYS 33 HE3 LYS 33 -10.765 1.054 2.987 246 HZ1 LYS 33 HZ1 LYS 33 -12.893 1.871 2.153 247 HZ2 LYS 33 HZ2 LYS 33 -12.889 1.771 3.842 248 HZ3 LYS 33 HZ3 LYS 33 -13.700 0.604 2.930 249 H GLN 34 H GLN 34 -7.214 -3.616 0.929 250 HA GLN 34 HA GLN 34 -6.562 -3.377 -1.814 251 HB2 GLN 34 HB2 GLN 34 -7.316 -5.789 -0.152 252 HB3 GLN 34 HB3 GLN 34 -6.698 -5.878 -1.798 253 HG2 GLN 34 HG2 GLN 34 -4.603 -4.944 -1.150 254 HG3 GLN 34 HG3 GLN 34 -5.209 -4.554 0.459 255 HE21 GLN 34 HE21 GLN 34 -5.398 -6.182 1.980 256 HE22 GLN 34 HE22 GLN 34 -4.649 -7.727 1.777 257 H LEU 35 H LEU 35 -7.721 -4.898 -3.473 258 HA LEU 35 HA LEU 35 -10.101 -3.655 -4.197 259 HB2 LEU 35 HB2 LEU 35 -9.096 -6.368 -5.067 260 HB3 LEU 35 HB3 LEU 35 -10.320 -5.423 -5.898 261 HG LEU 35 HG LEU 35 -7.419 -4.630 -5.541 262 HD11 LEU 35 HD11 LEU 35 -7.255 -4.969 -7.959 263 HD12 LEU 35 HD12 LEU 35 -8.923 -5.542 -7.994 264 HD13 LEU 35 HD13 LEU 35 -7.694 -6.459 -7.123 265 HD21 LEU 35 HD21 LEU 35 -8.884 -2.675 -5.561 266 HD22 LEU 35 HD22 LEU 35 -9.644 -3.244 -7.049 267 HD23 LEU 35 HD23 LEU 35 -7.944 -2.769 -7.049 268 H ASP 36 H ASP 36 -9.646 -6.585 -2.305 269 HA ASP 36 HA ASP 36 -12.459 -7.289 -2.315 270 HB2 ASP 36 HB2 ASP 36 -10.328 -8.396 -0.479 271 HB3 ASP 36 HB3 ASP 36 -11.820 -9.171 -1.008 272 H GLY 37 H GLY 37 -11.142 -4.732 -0.969 273 HA2 GLY 37 HA2 GLY 37 -11.863 -3.364 0.762 274 HA3 GLY 37 HA3 GLY 37 -12.940 -4.647 1.291 275 H LYS 38 H LYS 38 -9.906 -5.953 0.941 276 HA LYS 38 HA LYS 38 -9.565 -6.307 3.753 277 HB2 LYS 38 HB2 LYS 38 -7.527 -6.914 1.597 278 HB3 LYS 38 HB3 LYS 38 -7.609 -7.614 3.206 279 HG2 LYS 38 HG2 LYS 38 -9.870 -8.572 2.493 280 HG3 LYS 38 HG3 LYS 38 -9.409 -8.122 0.850 281 HD2 LYS 38 HD2 LYS 38 -7.853 -9.958 2.688 282 HD3 LYS 38 HD3 LYS 38 -8.863 -10.472 1.339 283 HE2 LYS 38 HE2 LYS 38 -6.563 -8.582 0.911 284 HE3 LYS 38 HE3 LYS 38 -6.298 -10.322 1.004 285 HZ1 LYS 38 HZ1 LYS 38 -6.560 -9.629 -1.276 286 HZ2 LYS 38 HZ2 LYS 38 -8.063 -8.933 -0.941 287 HZ3 LYS 38 HZ3 LYS 38 -7.864 -10.604 -0.829 288 H GLN 39 H GLN 39 -9.145 -4.367 4.830 289 HA GLN 39 HA GLN 39 -6.963 -2.659 3.952 290 HB2 GLN 39 HB2 GLN 39 -9.008 -1.692 4.972 291 HB3 GLN 39 HB3 GLN 39 -8.620 -2.509 6.483 292 HG2 GLN 39 HG2 GLN 39 -6.520 -1.226 6.613 293 HG3 GLN 39 HG3 GLN 39 -6.962 -0.380 5.133 294 HE21 GLN 39 HE21 GLN 39 -7.581 -0.724 8.527 295 HE22 GLN 39 HE22 GLN 39 -8.571 0.684 8.688 296 H THR 40 H THR 40 -4.910 -3.174 4.377 297 HA THR 40 HA THR 40 -4.228 -4.388 6.976 298 HB THR 40 HB THR 40 -4.330 -6.267 5.431 299 HG1 THR 40 HG1 THR 40 -1.958 -6.804 5.568 300 HG21 THR 40 HG21 THR 40 -2.819 -6.416 3.501 301 HG22 THR 40 HG22 THR 40 -2.286 -4.759 3.785 302 HG23 THR 40 HG23 THR 40 -3.957 -5.082 3.319 303 H ARG 41 H ARG 41 -1.791 -4.435 7.307 304 HA ARG 41 HA ARG 41 -0.726 -1.793 6.540 305 HB2 ARG 41 HB2 ARG 41 0.301 -3.635 8.713 306 HB3 ARG 41 HB3 ARG 41 0.722 -1.948 8.463 307 HG2 ARG 41 HG2 ARG 41 -1.567 -1.296 9.055 308 HG3 ARG 41 HG3 ARG 41 -1.973 -2.993 9.320 309 HD2 ARG 41 HD2 ARG 41 -0.029 -1.286 10.875 310 HD3 ARG 41 HD3 ARG 41 -1.505 -2.054 11.462 311 HE ARG 41 HE ARG 41 0.609 -3.814 10.481 312 HH11 ARG 41 HH11 ARG 41 -1.008 -2.454 13.203 313 HH12 ARG 41 HH12 ARG 41 -0.348 -3.614 14.301 314 HH21 ARG 41 HH21 ARG 41 1.440 -5.288 11.895 315 HH22 ARG 41 HH22 ARG 41 1.014 -5.203 13.570 316 H ILE 42 H ILE 42 1.485 -1.575 5.909 317 HA ILE 42 HA ILE 42 3.066 -4.006 5.517 318 HB ILE 42 HB ILE 42 1.914 -3.585 3.348 319 HG12 ILE 42 HG12 ILE 42 4.908 -3.116 3.224 320 HG13 ILE 42 HG13 ILE 42 4.151 -4.686 3.473 321 HG21 ILE 42 HG21 ILE 42 1.752 -1.145 3.482 322 HG22 ILE 42 HG22 ILE 42 2.527 -1.652 1.982 323 HG23 ILE 42 HG23 ILE 42 3.503 -1.014 3.305 324 HD11 ILE 42 HD11 ILE 42 3.897 -2.948 1.030 325 HD12 ILE 42 HD12 ILE 42 3.069 -4.485 1.280 326 HD13 ILE 42 HD13 ILE 42 4.828 -4.437 1.178 327 H ASN 43 H ASN 43 5.290 -3.679 5.751 328 HA ASN 43 HA ASN 43 6.000 -1.478 7.364 329 HB2 ASN 43 HB2 ASN 43 7.033 -3.875 7.211 330 HB3 ASN 43 HB3 ASN 43 8.085 -3.159 5.993 331 HD21 ASN 43 HD21 ASN 43 9.640 -1.666 6.643 332 HD22 ASN 43 HD22 ASN 43 10.031 -1.390 8.302 333 H LYS 44 H LYS 44 7.231 0.348 7.005 334 HA LYS 44 HA LYS 44 6.647 1.702 4.646 335 HB2 LYS 44 HB2 LYS 44 8.066 3.507 5.519 336 HB3 LYS 44 HB3 LYS 44 6.991 2.849 6.744 337 HG2 LYS 44 HG2 LYS 44 8.888 1.494 7.612 338 HG3 LYS 44 HG3 LYS 44 9.942 2.301 6.450 339 HD2 LYS 44 HD2 LYS 44 9.335 4.483 7.482 340 HD3 LYS 44 HD3 LYS 44 8.390 3.612 8.693 341 HE2 LYS 44 HE2 LYS 44 11.370 3.400 8.233 342 HE3 LYS 44 HE3 LYS 44 10.569 4.185 9.591 343 HZ1 LYS 44 HZ1 LYS 44 11.309 2.045 10.275 344 HZ2 LYS 44 HZ2 LYS 44 10.568 1.286 8.957 345 HZ3 LYS 44 HZ3 LYS 44 9.624 1.988 10.169 346 H ASP 45 H ASP 45 9.381 -0.340 5.241 347 HA ASP 45 HA ASP 45 11.074 0.907 3.254 348 HB2 ASP 45 HB2 ASP 45 12.623 -0.944 3.696 349 HB3 ASP 45 HB3 ASP 45 12.088 -0.186 5.191 350 H GLN 46 H GLN 46 8.543 -1.374 3.191 351 HA GLN 46 HA GLN 46 9.465 -2.980 0.998 352 HB2 GLN 46 HB2 GLN 46 6.681 -2.661 2.142 353 HB3 GLN 46 HB3 GLN 46 7.183 -3.919 1.021 354 HG2 GLN 46 HG2 GLN 46 8.274 -3.526 3.803 355 HG3 GLN 46 HG3 GLN 46 7.045 -4.702 3.350 356 HE21 GLN 46 HE21 GLN 46 10.399 -3.887 3.250 357 HE22 GLN 46 HE22 GLN 46 10.961 -5.406 2.646 358 H VAL 47 H VAL 47 7.686 0.018 1.229 359 HA VAL 47 HA VAL 47 6.476 -0.206 -1.374 360 HB VAL 47 HB VAL 47 5.333 1.087 0.322 361 HG11 VAL 47 HG11 VAL 47 7.704 2.957 0.270 362 HG12 VAL 47 HG12 VAL 47 7.252 1.887 1.597 363 HG13 VAL 47 HG13 VAL 47 6.197 3.227 1.146 364 HG21 VAL 47 HG21 VAL 47 6.321 2.855 -1.924 365 HG22 VAL 47 HG22 VAL 47 4.876 3.138 -0.954 366 HG23 VAL 47 HG23 VAL 47 4.969 1.725 -2.006 367 H ARG 48 H ARG 48 7.583 -0.029 -3.221 368 HA ARG 48 HA ARG 48 9.977 1.595 -3.458 369 HB2 ARG 48 HB2 ARG 48 9.845 -0.497 -4.715 370 HB3 ARG 48 HB3 ARG 48 8.392 0.055 -5.539 371 HG2 ARG 48 HG2 ARG 48 9.693 1.846 -6.615 372 HG3 ARG 48 HG3 ARG 48 11.149 1.263 -5.806 373 HD2 ARG 48 HD2 ARG 48 9.469 -0.342 -7.742 374 HD3 ARG 48 HD3 ARG 48 10.973 0.481 -8.149 375 HE ARG 48 HE ARG 48 11.466 -1.234 -5.998 376 HH11 ARG 48 HH11 ARG 48 10.660 -1.428 -9.344 377 HH12 ARG 48 HH12 ARG 48 11.458 -2.946 -9.551 378 HH21 ARG 48 HH21 ARG 48 12.463 -3.191 -6.283 379 HH22 ARG 48 HH22 ARG 48 12.448 -3.942 -7.841 380 H THR 49 H THR 49 6.820 1.587 -5.142 381 HA THR 49 HA THR 49 6.737 4.514 -5.067 382 HB THR 49 HB THR 49 6.054 4.607 -7.492 383 HG1 THR 49 HG1 THR 49 6.986 2.705 -8.708 384 HG21 THR 49 HG21 THR 49 8.308 5.296 -6.812 385 HG22 THR 49 HG22 THR 49 8.332 4.523 -8.399 386 HG23 THR 49 HG23 THR 49 8.872 3.633 -6.976 387 H VAL 50 H VAL 50 4.606 5.390 -5.615 388 HA VAL 50 HA VAL 50 2.392 3.438 -5.399 389 HB VAL 50 HB VAL 50 2.596 6.058 -3.880 390 HG11 VAL 50 HG11 VAL 50 0.387 3.991 -3.888 391 HG12 VAL 50 HG12 VAL 50 0.296 5.611 -4.578 392 HG13 VAL 50 HG13 VAL 50 0.469 5.403 -2.836 393 HG21 VAL 50 HG21 VAL 50 3.998 4.298 -2.908 394 HG22 VAL 50 HG22 VAL 50 2.608 3.213 -2.851 395 HG23 VAL 50 HG23 VAL 50 2.630 4.673 -1.862 396 H LYS 51 H LYS 51 1.286 3.604 -7.273 397 HA LYS 51 HA LYS 51 0.599 6.299 -8.282 398 HB2 LYS 51 HB2 LYS 51 1.443 3.880 -9.887 399 HB3 LYS 51 HB3 LYS 51 0.625 5.263 -10.601 400 HG2 LYS 51 HG2 LYS 51 2.473 6.713 -9.890 401 HG3 LYS 51 HG3 LYS 51 3.298 5.311 -9.205 402 HD2 LYS 51 HD2 LYS 51 3.545 4.308 -11.371 403 HD3 LYS 51 HD3 LYS 51 2.501 5.522 -12.113 404 HE2 LYS 51 HE2 LYS 51 5.192 6.061 -10.846 405 HE3 LYS 51 HE3 LYS 51 4.884 5.930 -12.578 406 HZ1 LYS 51 HZ1 LYS 51 4.946 8.233 -11.896 407 HZ2 LYS 51 HZ2 LYS 51 3.725 7.969 -10.757 408 HZ3 LYS 51 HZ3 LYS 51 3.389 7.832 -12.411 409 H ASP 52 H ASP 52 -1.401 6.454 -9.446 410 HA ASP 52 HA ASP 52 -3.428 4.562 -8.556 411 HB2 ASP 52 HB2 ASP 52 -3.709 7.092 -10.206 412 HB3 ASP 52 HB3 ASP 52 -5.032 6.158 -9.516 413 H LEU 53 H LEU 53 -4.796 3.392 -9.966 414 HA LEU 53 HA LEU 53 -3.661 2.501 -12.430 415 HB2 LEU 53 HB2 LEU 53 -6.415 2.072 -11.255 416 HB3 LEU 53 HB3 LEU 53 -5.825 1.272 -12.700 417 HG LEU 53 HG LEU 53 -4.651 0.973 -9.927 418 HD11 LEU 53 HD11 LEU 53 -6.289 -0.954 -11.577 419 HD12 LEU 53 HD12 LEU 53 -6.830 -0.103 -10.129 420 HD13 LEU 53 HD13 LEU 53 -5.540 -1.298 -10.016 421 HD21 LEU 53 HD21 LEU 53 -3.310 -0.827 -10.940 422 HD22 LEU 53 HD22 LEU 53 -2.936 0.751 -11.630 423 HD23 LEU 53 HD23 LEU 53 -3.938 -0.388 -12.528 424 H LEU 54 H LEU 54 -5.555 5.192 -11.613 425 HA LEU 54 HA LEU 54 -6.193 5.679 -14.457 426 HB2 LEU 54 HB2 LEU 54 -7.794 6.533 -12.032 427 HB3 LEU 54 HB3 LEU 54 -8.134 7.029 -13.681 428 HG LEU 54 HG LEU 54 -8.246 4.180 -12.663 429 HD11 LEU 54 HD11 LEU 54 -10.484 6.091 -13.343 430 HD12 LEU 54 HD12 LEU 54 -10.035 5.543 -11.727 431 HD13 LEU 54 HD13 LEU 54 -10.667 4.392 -12.903 432 HD21 LEU 54 HD21 LEU 54 -7.635 4.328 -15.035 433 HD22 LEU 54 HD22 LEU 54 -9.054 5.330 -15.339 434 HD23 LEU 54 HD23 LEU 54 -9.250 3.655 -14.821 435 H GLU 55 H GLU 55 -4.151 6.775 -14.673 436 HA GLU 55 HA GLU 55 -4.189 9.497 -13.507 437 HB2 GLU 55 HB2 GLU 55 -1.822 7.891 -14.515 438 HB3 GLU 55 HB3 GLU 55 -1.740 9.578 -14.028 439 HG2 GLU 55 HG2 GLU 55 -2.546 8.869 -11.759 440 HG3 GLU 55 HG3 GLU 55 -2.356 7.197 -12.285 Start of MODEL 4 1 H1 MET 1 H1 MET 1 -15.286 8.145 -2.653 2 H2 MET 1 H2 MET 1 -15.699 7.425 -4.129 3 H3 MET 1 H3 MET 1 -16.287 8.958 -3.745 4 HA MET 1 HA MET 1 -14.488 9.087 -5.354 5 HB2 MET 1 HB2 MET 1 -13.810 10.187 -2.613 6 HB3 MET 1 HB3 MET 1 -13.106 10.745 -4.125 7 HG2 MET 1 HG2 MET 1 -15.316 11.475 -4.886 8 HG3 MET 1 HG3 MET 1 -16.021 10.910 -3.371 9 HE1 MET 1 HE1 MET 1 -12.554 12.733 -3.908 10 HE2 MET 1 HE2 MET 1 -13.031 14.416 -3.677 11 HE3 MET 1 HE3 MET 1 -13.628 13.514 -5.070 12 H ALA 2 H ALA 2 -14.141 6.473 -3.669 13 HA ALA 2 HA ALA 2 -11.494 6.172 -2.875 14 HB1 ALA 2 HB1 ALA 2 -11.831 3.778 -3.125 15 HB2 ALA 2 HB2 ALA 2 -13.252 4.060 -4.134 16 HB3 ALA 2 HB3 ALA 2 -13.271 4.525 -2.433 17 H SER 3 H SER 3 -9.781 6.745 -4.073 18 HA SER 3 HA SER 3 -9.744 6.397 -6.957 19 HB2 SER 3 HB2 SER 3 -7.614 7.507 -5.102 20 HB3 SER 3 HB3 SER 3 -7.597 7.595 -6.863 21 HG SER 3 HG SER 3 -9.905 8.572 -5.723 22 HA PRO 4 HA PRO 4 -8.039 2.236 -6.365 23 HB2 PRO 4 HB2 PRO 4 -7.578 1.812 -9.073 24 HB3 PRO 4 HB3 PRO 4 -9.102 1.490 -8.240 25 HG2 PRO 4 HG2 PRO 4 -8.297 3.878 -9.863 26 HG3 PRO 4 HG3 PRO 4 -9.847 3.015 -9.831 27 HD2 PRO 4 HD2 PRO 4 -9.537 5.341 -8.546 28 HD3 PRO 4 HD3 PRO 4 -10.516 4.035 -7.844 29 H THR 5 H THR 5 -6.025 2.031 -5.614 30 HA THR 5 HA THR 5 -3.806 3.382 -7.031 31 HB THR 5 HB THR 5 -4.167 3.069 -4.035 32 HG1 THR 5 HG1 THR 5 -5.408 4.763 -5.103 33 HG21 THR 5 HG21 THR 5 -1.802 2.880 -4.667 34 HG22 THR 5 HG22 THR 5 -2.114 4.399 -3.827 35 HG23 THR 5 HG23 THR 5 -1.923 4.384 -5.580 36 H VAL 6 H VAL 6 -2.037 2.178 -7.490 37 HA VAL 6 HA VAL 6 -1.856 -0.539 -6.366 38 HB VAL 6 HB VAL 6 -2.012 -0.471 -8.813 39 HG11 VAL 6 HG11 VAL 6 -0.212 0.458 -10.184 40 HG12 VAL 6 HG12 VAL 6 0.580 1.078 -8.736 41 HG13 VAL 6 HG13 VAL 6 -0.992 1.714 -9.222 42 HG21 VAL 6 HG21 VAL 6 -0.063 -1.875 -9.322 43 HG22 VAL 6 HG22 VAL 6 -0.776 -2.294 -7.764 44 HG23 VAL 6 HG23 VAL 6 0.708 -1.343 -7.828 45 H ILE 7 H ILE 7 -0.169 -1.102 -5.125 46 HA ILE 7 HA ILE 7 1.949 0.900 -4.669 47 HB ILE 7 HB ILE 7 0.966 -1.324 -2.862 48 HG12 ILE 7 HG12 ILE 7 0.684 1.690 -2.642 49 HG13 ILE 7 HG13 ILE 7 -0.604 0.567 -3.066 50 HG21 ILE 7 HG21 ILE 7 2.445 -0.348 -1.153 51 HG22 ILE 7 HG22 ILE 7 3.083 0.772 -2.357 52 HG23 ILE 7 HG23 ILE 7 3.350 -0.962 -2.537 53 HD11 ILE 7 HD11 ILE 7 0.852 0.651 -0.431 54 HD12 ILE 7 HD12 ILE 7 -0.466 -0.442 -0.855 55 HD13 ILE 7 HD13 ILE 7 -0.759 1.294 -0.750 56 H THR 8 H THR 8 3.752 0.424 -5.799 57 HA THR 8 HA THR 8 4.513 -2.336 -6.344 58 HB THR 8 HB THR 8 6.036 0.203 -7.003 59 HG1 THR 8 HG1 THR 8 4.272 -1.346 -8.643 60 HG21 THR 8 HG21 THR 8 6.312 -2.626 -8.043 61 HG22 THR 8 HG22 THR 8 7.467 -1.767 -7.023 62 HG23 THR 8 HG23 THR 8 7.174 -1.224 -8.675 63 H LEU 9 H LEU 9 5.632 -3.486 -4.890 64 HA LEU 9 HA LEU 9 7.007 -2.208 -2.689 65 HB2 LEU 9 HB2 LEU 9 6.855 -5.148 -3.379 66 HB3 LEU 9 HB3 LEU 9 7.356 -4.457 -1.843 67 HG LEU 9 HG LEU 9 4.573 -4.329 -3.023 68 HD11 LEU 9 HD11 LEU 9 5.182 -6.546 -2.190 69 HD12 LEU 9 HD12 LEU 9 3.953 -5.791 -1.175 70 HD13 LEU 9 HD13 LEU 9 5.632 -5.843 -0.636 71 HD21 LEU 9 HD21 LEU 9 5.626 -3.273 -0.395 72 HD22 LEU 9 HD22 LEU 9 3.931 -3.321 -0.878 73 HD23 LEU 9 HD23 LEU 9 5.069 -2.307 -1.764 74 H ASN 10 H ASN 10 9.203 -3.236 -2.047 75 HA ASN 10 HA ASN 10 11.143 -2.297 -3.816 76 HB2 ASN 10 HB2 ASN 10 11.398 -2.626 -1.338 77 HB3 ASN 10 HB3 ASN 10 11.576 -4.352 -1.634 78 HD21 ASN 10 HD21 ASN 10 13.052 -1.243 -1.879 79 HD22 ASN 10 HD22 ASN 10 14.635 -1.800 -2.293 80 H ASP 11 H ASP 11 10.048 -5.626 -3.260 81 HA ASP 11 HA ASP 11 11.965 -6.857 -4.986 82 HB2 ASP 11 HB2 ASP 11 9.325 -7.937 -3.962 83 HB3 ASP 11 HB3 ASP 11 10.644 -8.890 -4.638 84 H GLY 12 H GLY 12 9.490 -4.874 -5.849 85 HA2 GLY 12 HA2 GLY 12 8.780 -4.437 -8.051 86 HA3 GLY 12 HA3 GLY 12 9.287 -6.051 -8.520 87 H ARG 13 H ARG 13 7.709 -6.875 -5.933 88 HA ARG 13 HA ARG 13 5.320 -7.675 -7.239 89 HB2 ARG 13 HB2 ARG 13 6.388 -8.893 -5.337 90 HB3 ARG 13 HB3 ARG 13 5.884 -7.594 -4.261 91 HG2 ARG 13 HG2 ARG 13 3.539 -8.073 -4.774 92 HG3 ARG 13 HG3 ARG 13 4.040 -9.367 -5.862 93 HD2 ARG 13 HD2 ARG 13 5.121 -10.504 -3.936 94 HD3 ARG 13 HD3 ARG 13 4.479 -9.245 -2.876 95 HE ARG 13 HE ARG 13 2.525 -10.640 -4.501 96 HH11 ARG 13 HH11 ARG 13 4.112 -10.452 -1.451 97 HH12 ARG 13 HH12 ARG 13 2.870 -11.330 -0.631 98 HH21 ARG 13 HH21 ARG 13 0.949 -11.769 -3.445 99 HH22 ARG 13 HH22 ARG 13 1.110 -12.090 -1.752 100 H GLU 14 H GLU 14 3.309 -6.730 -7.309 101 HA GLU 14 HA GLU 14 3.073 -4.090 -5.991 102 HB2 GLU 14 HB2 GLU 14 1.872 -4.941 -8.634 103 HB3 GLU 14 HB3 GLU 14 1.805 -3.333 -7.921 104 HG2 GLU 14 HG2 GLU 14 4.160 -3.031 -8.200 105 HG3 GLU 14 HG3 GLU 14 4.373 -4.712 -8.683 106 H ILE 15 H ILE 15 1.209 -3.579 -4.924 107 HA ILE 15 HA ILE 15 -0.829 -5.707 -4.685 108 HB ILE 15 HB ILE 15 -0.294 -3.455 -2.729 109 HG12 ILE 15 HG12 ILE 15 0.585 -6.357 -2.577 110 HG13 ILE 15 HG13 ILE 15 1.648 -4.995 -2.906 111 HG21 ILE 15 HG21 ILE 15 -1.945 -5.981 -2.495 112 HG22 ILE 15 HG22 ILE 15 -2.562 -4.333 -2.610 113 HG23 ILE 15 HG23 ILE 15 -1.648 -4.832 -1.188 114 HD11 ILE 15 HD11 ILE 15 0.108 -5.455 -0.362 115 HD12 ILE 15 HD12 ILE 15 1.171 -4.087 -0.692 116 HD13 ILE 15 HD13 ILE 15 1.834 -5.720 -0.603 117 H GLN 16 H GLN 16 -3.011 -5.221 -4.907 118 HA GLN 16 HA GLN 16 -3.558 -2.680 -6.297 119 HB2 GLN 16 HB2 GLN 16 -5.073 -5.299 -6.352 120 HB3 GLN 16 HB3 GLN 16 -5.478 -3.865 -7.288 121 HG2 GLN 16 HG2 GLN 16 -3.397 -4.032 -8.513 122 HG3 GLN 16 HG3 GLN 16 -2.896 -5.404 -7.526 123 HE21 GLN 16 HE21 GLN 16 -5.036 -4.331 -10.055 124 HE22 GLN 16 HE22 GLN 16 -5.497 -5.902 -10.599 125 H ALA 17 H ALA 17 -4.621 -1.155 -5.180 126 HA ALA 17 HA ALA 17 -6.586 -1.976 -3.121 127 HB1 ALA 17 HB1 ALA 17 -4.817 0.470 -3.068 128 HB2 ALA 17 HB2 ALA 17 -4.547 -1.008 -2.145 129 HB3 ALA 17 HB3 ALA 17 -5.972 -0.019 -1.826 130 H VAL 18 H VAL 18 -8.443 -0.640 -2.828 131 HA VAL 18 HA VAL 18 -9.372 0.648 -5.258 132 HB VAL 18 HB VAL 18 -11.547 0.838 -4.134 133 HG11 VAL 18 HG11 VAL 18 -10.990 -1.256 -5.276 134 HG12 VAL 18 HG12 VAL 18 -12.034 -1.545 -3.886 135 HG13 VAL 18 HG13 VAL 18 -10.309 -1.896 -3.781 136 HG21 VAL 18 HG21 VAL 18 -10.142 -0.350 -1.737 137 HG22 VAL 18 HG22 VAL 18 -11.882 -0.090 -1.882 138 HG23 VAL 18 HG23 VAL 18 -10.782 1.289 -1.863 139 H ASP 19 H ASP 19 -8.008 1.666 -2.264 140 HA ASP 19 HA ASP 19 -8.334 4.447 -3.098 141 HB2 ASP 19 HB2 ASP 19 -8.776 5.119 -0.697 142 HB3 ASP 19 HB3 ASP 19 -10.101 4.312 -1.527 143 H THR 20 H THR 20 -6.979 5.886 -1.431 144 HA THR 20 HA THR 20 -4.279 5.004 -1.948 145 HB THR 20 HB THR 20 -3.587 7.233 -1.226 146 HG1 THR 20 HG1 THR 20 -5.735 7.168 0.280 147 HG21 THR 20 HG21 THR 20 -4.473 6.972 -3.508 148 HG22 THR 20 HG22 THR 20 -4.811 8.577 -2.857 149 HG23 THR 20 HG23 THR 20 -6.089 7.363 -2.920 150 HA PRO 21 HA PRO 21 -3.347 3.504 2.129 151 HB2 PRO 21 HB2 PRO 21 -0.642 3.590 2.054 152 HB3 PRO 21 HB3 PRO 21 -1.581 2.419 1.121 153 HG2 PRO 21 HG2 PRO 21 -0.355 5.006 0.221 154 HG3 PRO 21 HG3 PRO 21 -0.348 3.425 -0.584 155 HD2 PRO 21 HD2 PRO 21 -2.065 5.419 -1.269 156 HD3 PRO 21 HD3 PRO 21 -2.481 3.699 -1.420 157 H LYS 22 H LYS 22 -3.075 4.308 4.154 158 HA LYS 22 HA LYS 22 -2.216 7.104 4.492 159 HB2 LYS 22 HB2 LYS 22 -4.366 6.517 5.489 160 HB3 LYS 22 HB3 LYS 22 -3.624 5.188 6.372 161 HG2 LYS 22 HG2 LYS 22 -2.212 6.879 7.572 162 HG3 LYS 22 HG3 LYS 22 -3.168 8.142 6.796 163 HD2 LYS 22 HD2 LYS 22 -4.230 5.984 8.628 164 HD3 LYS 22 HD3 LYS 22 -3.962 7.671 9.066 165 HE2 LYS 22 HE2 LYS 22 -5.608 8.344 7.343 166 HE3 LYS 22 HE3 LYS 22 -5.914 6.639 7.003 167 HZ1 LYS 22 HZ1 LYS 22 -6.354 7.980 9.616 168 HZ2 LYS 22 HZ2 LYS 22 -6.673 6.353 9.270 169 HZ3 LYS 22 HZ3 LYS 22 -7.563 7.566 8.503 170 H TYR 23 H TYR 23 -0.281 7.613 5.451 171 HA TYR 23 HA TYR 23 1.357 5.426 6.510 172 HB2 TYR 23 HB2 TYR 23 2.455 6.888 4.916 173 HB3 TYR 23 HB3 TYR 23 2.047 8.307 5.875 174 HD1 TYR 23 HD1 TYR 23 3.915 5.075 6.133 175 HD2 TYR 23 HD2 TYR 23 3.628 9.132 7.395 176 HE1 TYR 23 HE1 TYR 23 6.029 4.839 7.361 177 HE2 TYR 23 HE2 TYR 23 5.744 8.901 8.627 178 HH TYR 23 HH TYR 23 7.050 6.951 9.690 179 H ASP 24 H ASP 24 1.469 5.021 8.632 180 HA ASP 24 HA ASP 24 0.836 7.149 10.563 181 HB2 ASP 24 HB2 ASP 24 -0.304 4.974 10.840 182 HB3 ASP 24 HB3 ASP 24 1.260 4.177 11.006 183 H GLU 25 H GLU 25 2.466 8.248 11.510 184 HA GLU 25 HA GLU 25 5.163 7.741 10.791 185 HB2 GLU 25 HB2 GLU 25 4.359 9.995 11.182 186 HB3 GLU 25 HB3 GLU 25 3.993 9.611 12.859 187 HG2 GLU 25 HG2 GLU 25 6.370 9.294 13.323 188 HG3 GLU 25 HG3 GLU 25 6.752 9.632 11.635 189 H GLU 26 H GLU 26 3.292 6.706 13.525 190 HA GLU 26 HA GLU 26 5.573 6.286 15.255 191 HB2 GLU 26 HB2 GLU 26 2.658 5.547 15.584 192 HB3 GLU 26 HB3 GLU 26 3.883 5.409 16.843 193 HG2 GLU 26 HG2 GLU 26 4.227 7.799 16.842 194 HG3 GLU 26 HG3 GLU 26 3.141 7.988 15.466 195 H SER 27 H SER 27 3.263 4.150 13.554 196 HA SER 27 HA SER 27 4.822 1.798 14.310 197 HB2 SER 27 HB2 SER 27 3.031 0.500 13.248 198 HB3 SER 27 HB3 SER 27 2.359 1.678 14.375 199 HG SER 27 HG SER 27 1.509 2.784 12.762 200 H GLY 28 H GLY 28 4.320 3.844 11.519 201 HA2 GLY 28 HA2 GLY 28 5.726 4.038 9.674 202 HA3 GLY 28 HA3 GLY 28 6.571 2.589 10.189 203 H PHE 29 H PHE 29 3.231 2.081 10.087 204 HA PHE 29 HA PHE 29 3.521 0.535 7.612 205 HB2 PHE 29 HB2 PHE 29 1.439 0.462 9.810 206 HB3 PHE 29 HB3 PHE 29 1.325 -0.495 8.338 207 HD1 PHE 29 HD1 PHE 29 3.069 -2.231 7.869 208 HD2 PHE 29 HD2 PHE 29 2.809 -0.222 11.612 209 HE1 PHE 29 HE1 PHE 29 4.448 -3.986 8.903 210 HE2 PHE 29 HE2 PHE 29 4.187 -1.973 12.652 211 HZ PHE 29 HZ PHE 29 5.009 -3.859 11.296 212 H TYR 30 H TYR 30 2.075 0.646 5.899 213 HA TYR 30 HA TYR 30 0.435 3.076 5.682 214 HB2 TYR 30 HB2 TYR 30 1.531 1.152 3.625 215 HB3 TYR 30 HB3 TYR 30 0.292 2.336 3.228 216 HD1 TYR 30 HD1 TYR 30 3.772 2.012 4.521 217 HD2 TYR 30 HD2 TYR 30 0.872 4.548 2.698 218 HE1 TYR 30 HE1 TYR 30 5.509 3.697 4.096 219 HE2 TYR 30 HE2 TYR 30 2.607 6.236 2.274 220 HH TYR 30 HH TYR 30 4.767 6.891 3.045 221 H GLU 31 H GLU 31 -1.729 2.962 5.833 222 HA GLU 31 HA GLU 31 -3.023 0.317 5.845 223 HB2 GLU 31 HB2 GLU 31 -4.234 2.985 6.624 224 HB3 GLU 31 HB3 GLU 31 -4.873 1.384 6.972 225 HG2 GLU 31 HG2 GLU 31 -2.886 0.963 8.405 226 HG3 GLU 31 HG3 GLU 31 -2.382 2.628 8.128 227 H PHE 32 H PHE 32 -4.034 -0.345 4.028 228 HA PHE 32 HA PHE 32 -5.504 1.593 2.401 229 HB2 PHE 32 HB2 PHE 32 -4.495 0.686 0.295 230 HB3 PHE 32 HB3 PHE 32 -3.374 1.599 1.295 231 HD1 PHE 32 HD1 PHE 32 -1.692 0.357 2.699 232 HD2 PHE 32 HD2 PHE 32 -4.074 -1.567 -0.271 233 HE1 PHE 32 HE1 PHE 32 -0.126 -1.535 2.668 234 HE2 PHE 32 HE2 PHE 32 -2.508 -3.456 -0.301 235 HZ PHE 32 HZ PHE 32 -0.530 -3.447 1.170 236 H LYS 33 H LYS 33 -7.180 0.749 1.175 237 HA LYS 33 HA LYS 33 -8.097 -1.895 2.044 238 HB2 LYS 33 HB2 LYS 33 -9.561 0.133 2.196 239 HB3 LYS 33 HB3 LYS 33 -9.560 0.215 0.442 240 HG2 LYS 33 HG2 LYS 33 -10.583 -2.053 0.390 241 HG3 LYS 33 HG3 LYS 33 -10.692 -1.994 2.149 242 HD2 LYS 33 HD2 LYS 33 -12.018 -0.073 0.226 243 HD3 LYS 33 HD3 LYS 33 -12.819 -1.383 1.086 244 HE2 LYS 33 HE2 LYS 33 -13.323 0.584 2.289 245 HE3 LYS 33 HE3 LYS 33 -12.092 -0.250 3.233 246 HZ1 LYS 33 HZ1 LYS 33 -10.453 1.272 2.508 247 HZ2 LYS 33 HZ2 LYS 33 -11.784 2.201 2.965 248 HZ3 LYS 33 HZ3 LYS 33 -11.462 1.939 1.328 249 H GLN 34 H GLN 34 -7.675 -3.613 0.791 250 HA GLN 34 HA GLN 34 -6.655 -3.437 -1.853 251 HB2 GLN 34 HB2 GLN 34 -7.759 -5.828 -0.355 252 HB3 GLN 34 HB3 GLN 34 -6.801 -5.907 -1.829 253 HG2 GLN 34 HG2 GLN 34 -4.877 -5.023 -0.693 254 HG3 GLN 34 HG3 GLN 34 -5.820 -4.731 0.769 255 HE21 GLN 34 HE21 GLN 34 -6.465 -6.494 2.026 256 HE22 GLN 34 HE22 GLN 34 -5.698 -8.038 1.900 257 H LEU 35 H LEU 35 -7.593 -4.513 -3.798 258 HA LEU 35 HA LEU 35 -10.241 -3.825 -4.433 259 HB2 LEU 35 HB2 LEU 35 -8.542 -6.026 -5.631 260 HB3 LEU 35 HB3 LEU 35 -10.022 -5.408 -6.337 261 HG LEU 35 HG LEU 35 -7.438 -3.879 -5.977 262 HD11 LEU 35 HD11 LEU 35 -7.381 -5.528 -7.780 263 HD12 LEU 35 HD12 LEU 35 -7.362 -3.881 -8.409 264 HD13 LEU 35 HD13 LEU 35 -8.848 -4.830 -8.470 265 HD21 LEU 35 HD21 LEU 35 -8.536 -2.066 -7.211 266 HD22 LEU 35 HD22 LEU 35 -9.338 -2.386 -5.674 267 HD23 LEU 35 HD23 LEU 35 -10.054 -2.964 -7.178 268 H ASP 36 H ASP 36 -8.956 -6.509 -2.722 269 HA ASP 36 HA ASP 36 -11.166 -8.293 -2.916 270 HB2 ASP 36 HB2 ASP 36 -8.941 -9.079 -2.347 271 HB3 ASP 36 HB3 ASP 36 -8.899 -8.051 -0.919 272 H GLY 37 H GLY 37 -10.760 -5.366 -1.232 273 HA2 GLY 37 HA2 GLY 37 -12.551 -4.322 -0.062 274 HA3 GLY 37 HA3 GLY 37 -13.147 -5.907 0.401 275 H LYS 38 H LYS 38 -10.668 -6.963 1.391 276 HA LYS 38 HA LYS 38 -10.734 -5.925 4.036 277 HB2 LYS 38 HB2 LYS 38 -8.827 -7.871 2.721 278 HB3 LYS 38 HB3 LYS 38 -8.802 -7.488 4.437 279 HG2 LYS 38 HG2 LYS 38 -11.239 -8.242 4.484 280 HG3 LYS 38 HG3 LYS 38 -10.947 -8.908 2.876 281 HD2 LYS 38 HD2 LYS 38 -9.341 -9.611 5.342 282 HD3 LYS 38 HD3 LYS 38 -10.683 -10.566 4.719 283 HE2 LYS 38 HE2 LYS 38 -8.235 -9.905 3.085 284 HE3 LYS 38 HE3 LYS 38 -8.371 -11.358 4.073 285 HZ1 LYS 38 HZ1 LYS 38 -10.271 -10.630 1.916 286 HZ2 LYS 38 HZ2 LYS 38 -10.227 -12.083 2.778 287 HZ3 LYS 38 HZ3 LYS 38 -8.973 -11.689 1.715 288 H GLN 39 H GLN 39 -9.604 -4.332 4.979 289 HA GLN 39 HA GLN 39 -7.571 -2.915 3.457 290 HB2 GLN 39 HB2 GLN 39 -9.291 -1.643 4.670 291 HB3 GLN 39 HB3 GLN 39 -8.749 -2.338 6.191 292 HG2 GLN 39 HG2 GLN 39 -6.621 -1.210 6.004 293 HG3 GLN 39 HG3 GLN 39 -7.045 -0.604 4.406 294 HE21 GLN 39 HE21 GLN 39 -6.811 1.541 5.005 295 HE22 GLN 39 HE22 GLN 39 -7.924 2.346 6.047 296 H THR 40 H THR 40 -5.481 -3.446 3.580 297 HA THR 40 HA THR 40 -4.485 -4.777 6.029 298 HB THR 40 HB THR 40 -4.469 -6.304 4.101 299 HG1 THR 40 HG1 THR 40 -2.187 -6.814 4.258 300 HG21 THR 40 HG21 THR 40 -4.191 -4.614 2.310 301 HG22 THR 40 HG22 THR 40 -3.005 -5.914 2.190 302 HG23 THR 40 HG23 THR 40 -2.530 -4.347 2.843 303 H ARG 41 H ARG 41 -2.060 -4.559 6.298 304 HA ARG 41 HA ARG 41 -1.170 -1.828 5.621 305 HB2 ARG 41 HB2 ARG 41 -0.930 -3.148 8.338 306 HB3 ARG 41 HB3 ARG 41 -0.312 -1.558 7.906 307 HG2 ARG 41 HG2 ARG 41 -2.527 -0.689 7.641 308 HG3 ARG 41 HG3 ARG 41 -3.231 -2.298 7.810 309 HD2 ARG 41 HD2 ARG 41 -1.752 -0.753 9.943 310 HD3 ARG 41 HD3 ARG 41 -3.491 -1.048 9.872 311 HE ARG 41 HE ARG 41 -1.918 -3.450 9.865 312 HH11 ARG 41 HH11 ARG 41 -3.420 -1.085 11.872 313 HH12 ARG 41 HH12 ARG 41 -3.473 -2.133 13.244 314 HH21 ARG 41 HH21 ARG 41 -2.032 -4.791 11.618 315 HH22 ARG 41 HH22 ARG 41 -2.724 -4.217 13.095 316 H ILE 42 H ILE 42 0.947 -1.625 5.064 317 HA ILE 42 HA ILE 42 2.802 -3.833 5.679 318 HB ILE 42 HB ILE 42 1.987 -4.055 3.325 319 HG12 ILE 42 HG12 ILE 42 4.933 -3.361 3.550 320 HG13 ILE 42 HG13 ILE 42 4.221 -4.884 4.074 321 HG21 ILE 42 HG21 ILE 42 1.683 -1.686 2.803 322 HG22 ILE 42 HG22 ILE 42 2.751 -2.456 1.630 323 HG23 ILE 42 HG23 ILE 42 3.428 -1.431 2.896 324 HD11 ILE 42 HD11 ILE 42 3.537 -5.337 1.763 325 HD12 ILE 42 HD12 ILE 42 5.281 -5.136 1.926 326 HD13 ILE 42 HD13 ILE 42 4.304 -3.830 1.257 327 H ASN 43 H ASN 43 5.049 -3.206 5.784 328 HA ASN 43 HA ASN 43 5.293 -0.707 7.121 329 HB2 ASN 43 HB2 ASN 43 6.532 -2.816 7.732 330 HB3 ASN 43 HB3 ASN 43 7.565 -2.539 6.332 331 HD21 ASN 43 HD21 ASN 43 9.412 -2.225 7.523 332 HD22 ASN 43 HD22 ASN 43 9.664 -0.840 8.522 333 H LYS 44 H LYS 44 6.696 1.018 6.696 334 HA LYS 44 HA LYS 44 6.467 2.123 4.144 335 HB2 LYS 44 HB2 LYS 44 7.992 3.897 5.030 336 HB3 LYS 44 HB3 LYS 44 6.627 3.526 6.075 337 HG2 LYS 44 HG2 LYS 44 8.068 2.159 7.496 338 HG3 LYS 44 HG3 LYS 44 9.445 2.510 6.451 339 HD2 LYS 44 HD2 LYS 44 9.282 4.879 6.993 340 HD3 LYS 44 HD3 LYS 44 7.843 4.575 7.966 341 HE2 LYS 44 HE2 LYS 44 9.149 3.213 9.511 342 HE3 LYS 44 HE3 LYS 44 10.592 3.451 8.526 343 HZ1 LYS 44 HZ1 LYS 44 9.080 5.611 9.881 344 HZ2 LYS 44 HZ2 LYS 44 10.509 5.802 8.997 345 HZ3 LYS 44 HZ3 LYS 44 10.519 4.932 10.449 346 H ASP 45 H ASP 45 9.092 0.185 5.444 347 HA ASP 45 HA ASP 45 11.029 1.131 3.545 348 HB2 ASP 45 HB2 ASP 45 12.492 -0.629 4.457 349 HB3 ASP 45 HB3 ASP 45 11.782 0.365 5.719 350 H GLN 46 H GLN 46 8.468 -1.051 3.311 351 HA GLN 46 HA GLN 46 9.731 -2.718 1.274 352 HB2 GLN 46 HB2 GLN 46 6.920 -2.776 2.399 353 HB3 GLN 46 HB3 GLN 46 7.583 -3.944 1.264 354 HG2 GLN 46 HG2 GLN 46 8.694 -3.437 4.014 355 HG3 GLN 46 HG3 GLN 46 7.535 -4.705 3.632 356 HE21 GLN 46 HE21 GLN 46 8.990 -6.289 4.301 357 HE22 GLN 46 HE22 GLN 46 10.357 -6.742 3.349 358 H VAL 47 H VAL 47 7.532 0.009 1.442 359 HA VAL 47 HA VAL 47 6.474 -0.363 -1.211 360 HB VAL 47 HB VAL 47 5.065 0.767 0.378 361 HG11 VAL 47 HG11 VAL 47 7.211 2.887 0.564 362 HG12 VAL 47 HG12 VAL 47 6.752 1.748 1.829 363 HG13 VAL 47 HG13 VAL 47 5.611 2.984 1.299 364 HG21 VAL 47 HG21 VAL 47 6.007 2.718 -1.734 365 HG22 VAL 47 HG22 VAL 47 4.469 2.791 -0.876 366 HG23 VAL 47 HG23 VAL 47 4.811 1.440 -1.958 367 H ARG 48 H ARG 48 7.622 -0.058 -2.982 368 HA ARG 48 HA ARG 48 9.902 1.727 -3.082 369 HB2 ARG 48 HB2 ARG 48 9.833 -0.509 -4.228 370 HB3 ARG 48 HB3 ARG 48 8.639 0.150 -5.336 371 HG2 ARG 48 HG2 ARG 48 10.271 1.812 -6.107 372 HG3 ARG 48 HG3 ARG 48 11.468 1.139 -4.996 373 HD2 ARG 48 HD2 ARG 48 11.218 -1.053 -6.165 374 HD3 ARG 48 HD3 ARG 48 10.167 -0.256 -7.339 375 HE ARG 48 HE ARG 48 12.687 1.061 -7.092 376 HH11 ARG 48 HH11 ARG 48 11.086 -1.596 -8.589 377 HH12 ARG 48 HH12 ARG 48 12.256 -1.729 -9.847 378 HH21 ARG 48 HH21 ARG 48 14.192 0.864 -8.700 379 HH22 ARG 48 HH22 ARG 48 14.011 -0.370 -9.901 380 H THR 49 H THR 49 6.849 1.463 -4.954 381 HA THR 49 HA THR 49 6.779 4.404 -5.208 382 HB THR 49 HB THR 49 6.100 4.288 -7.556 383 HG1 THR 49 HG1 THR 49 6.331 2.216 -8.649 384 HG21 THR 49 HG21 THR 49 8.503 4.519 -7.096 385 HG22 THR 49 HG22 THR 49 8.214 3.613 -8.583 386 HG23 THR 49 HG23 THR 49 8.671 2.762 -7.108 387 H VAL 50 H VAL 50 4.708 5.316 -5.436 388 HA VAL 50 HA VAL 50 2.415 3.472 -5.101 389 HB VAL 50 HB VAL 50 2.665 6.290 -4.005 390 HG11 VAL 50 HG11 VAL 50 0.366 5.702 -4.630 391 HG12 VAL 50 HG12 VAL 50 0.544 5.850 -2.883 392 HG13 VAL 50 HG13 VAL 50 0.463 4.252 -3.627 393 HG21 VAL 50 HG21 VAL 50 2.727 3.634 -2.559 394 HG22 VAL 50 HG22 VAL 50 2.686 5.217 -1.786 395 HG23 VAL 50 HG23 VAL 50 4.080 4.747 -2.758 396 H LYS 51 H LYS 51 1.269 3.415 -6.944 397 HA LYS 51 HA LYS 51 0.940 5.901 -8.516 398 HB2 LYS 51 HB2 LYS 51 1.333 3.102 -9.599 399 HB3 LYS 51 HB3 LYS 51 0.978 4.525 -10.569 400 HG2 LYS 51 HG2 LYS 51 3.114 5.526 -9.727 401 HG3 LYS 51 HG3 LYS 51 3.475 3.966 -8.980 402 HD2 LYS 51 HD2 LYS 51 2.977 4.432 -11.928 403 HD3 LYS 51 HD3 LYS 51 4.559 4.215 -11.181 404 HE2 LYS 51 HE2 LYS 51 4.124 1.959 -10.660 405 HE3 LYS 51 HE3 LYS 51 2.391 2.139 -10.934 406 HZ1 LYS 51 HZ1 LYS 51 3.538 0.972 -12.750 407 HZ2 LYS 51 HZ2 LYS 51 4.458 2.358 -13.055 408 HZ3 LYS 51 HZ3 LYS 51 2.782 2.394 -13.273 409 H ASP 52 H ASP 52 -0.937 5.771 -10.074 410 HA ASP 52 HA ASP 52 -3.274 4.632 -8.743 411 HB2 ASP 52 HB2 ASP 52 -3.044 6.411 -11.187 412 HB3 ASP 52 HB3 ASP 52 -4.555 5.929 -10.421 413 H LEU 53 H LEU 53 -4.630 3.066 -9.641 414 HA LEU 53 HA LEU 53 -3.559 1.250 -11.549 415 HB2 LEU 53 HB2 LEU 53 -6.319 1.571 -10.374 416 HB3 LEU 53 HB3 LEU 53 -5.951 0.324 -11.551 417 HG LEU 53 HG LEU 53 -4.573 0.599 -8.868 418 HD11 LEU 53 HD11 LEU 53 -6.921 0.001 -8.577 419 HD12 LEU 53 HD12 LEU 53 -5.868 -1.360 -8.198 420 HD13 LEU 53 HD13 LEU 53 -6.737 -1.320 -9.732 421 HD21 LEU 53 HD21 LEU 53 -3.699 -1.635 -9.358 422 HD22 LEU 53 HD22 LEU 53 -3.185 -0.472 -10.581 423 HD23 LEU 53 HD23 LEU 53 -4.488 -1.607 -10.935 424 H LEU 54 H LEU 54 -5.274 4.183 -11.912 425 HA LEU 54 HA LEU 54 -6.013 3.563 -14.695 426 HB2 LEU 54 HB2 LEU 54 -6.906 5.823 -12.892 427 HB3 LEU 54 HB3 LEU 54 -7.446 5.573 -14.544 428 HG LEU 54 HG LEU 54 -7.961 3.703 -12.218 429 HD11 LEU 54 HD11 LEU 54 -9.830 5.533 -13.725 430 HD12 LEU 54 HD12 LEU 54 -9.264 5.755 -12.069 431 HD13 LEU 54 HD13 LEU 54 -10.297 4.384 -12.470 432 HD21 LEU 54 HD21 LEU 54 -7.735 2.463 -14.303 433 HD22 LEU 54 HD22 LEU 54 -8.884 3.545 -15.092 434 HD23 LEU 54 HD23 LEU 54 -9.419 2.495 -13.780 435 H GLU 55 H GLU 55 -3.256 4.101 -13.994 436 HA GLU 55 HA GLU 55 -2.551 6.769 -14.676 437 HB2 GLU 55 HB2 GLU 55 -0.257 5.863 -15.033 438 HB3 GLU 55 HB3 GLU 55 -0.952 5.445 -13.475 439 HG2 GLU 55 HG2 GLU 55 -1.396 3.201 -14.210 440 HG3 GLU 55 HG3 GLU 55 -0.898 3.596 -15.854 Start of MODEL 5 1 H1 MET 1 H1 MET 1 -10.641 12.185 -2.758 2 H2 MET 1 H2 MET 1 -9.882 11.080 -3.792 3 H3 MET 1 H3 MET 1 -9.425 11.167 -2.167 4 HA MET 1 HA MET 1 -11.540 10.352 -1.442 5 HB2 MET 1 HB2 MET 1 -13.252 9.660 -3.047 6 HB3 MET 1 HB3 MET 1 -12.889 11.369 -3.242 7 HG2 MET 1 HG2 MET 1 -11.564 10.909 -5.208 8 HG3 MET 1 HG3 MET 1 -11.774 9.172 -4.981 9 HE1 MET 1 HE1 MET 1 -12.390 10.780 -7.703 10 HE2 MET 1 HE2 MET 1 -13.887 9.991 -8.204 11 HE3 MET 1 HE3 MET 1 -12.563 9.032 -7.543 12 H ALA 2 H ALA 2 -12.400 7.982 -1.958 13 HA ALA 2 HA ALA 2 -10.189 6.218 -2.070 14 HB1 ALA 2 HB1 ALA 2 -12.240 5.649 -0.882 15 HB2 ALA 2 HB2 ALA 2 -11.858 4.423 -2.091 16 HB3 ALA 2 HB3 ALA 2 -13.128 5.606 -2.404 17 H SER 3 H SER 3 -9.084 6.720 -3.997 18 HA SER 3 HA SER 3 -10.397 5.961 -6.523 19 HB2 SER 3 HB2 SER 3 -7.796 7.456 -6.054 20 HB3 SER 3 HB3 SER 3 -8.514 7.117 -7.630 21 HG SER 3 HG SER 3 -8.979 9.177 -6.043 22 HA PRO 4 HA PRO 4 -8.093 2.168 -6.762 23 HB2 PRO 4 HB2 PRO 4 -7.633 2.001 -9.470 24 HB3 PRO 4 HB3 PRO 4 -9.178 1.614 -8.707 25 HG2 PRO 4 HG2 PRO 4 -8.324 4.142 -10.075 26 HG3 PRO 4 HG3 PRO 4 -9.864 3.271 -10.197 27 HD2 PRO 4 HD2 PRO 4 -9.609 5.466 -8.665 28 HD3 PRO 4 HD3 PRO 4 -10.644 4.109 -8.174 29 H THR 5 H THR 5 -6.083 2.124 -5.962 30 HA THR 5 HA THR 5 -3.898 3.492 -7.423 31 HB THR 5 HB THR 5 -4.164 3.188 -4.414 32 HG1 THR 5 HG1 THR 5 -4.469 5.408 -6.173 33 HG21 THR 5 HG21 THR 5 -2.001 4.525 -6.054 34 HG22 THR 5 HG22 THR 5 -1.831 3.030 -5.133 35 HG23 THR 5 HG23 THR 5 -2.124 4.553 -4.294 36 H VAL 6 H VAL 6 -2.177 2.242 -7.939 37 HA VAL 6 HA VAL 6 -1.994 -0.448 -6.755 38 HB VAL 6 HB VAL 6 -2.193 -0.456 -9.185 39 HG11 VAL 6 HG11 VAL 6 -0.460 0.477 -10.637 40 HG12 VAL 6 HG12 VAL 6 0.363 1.157 -9.232 41 HG13 VAL 6 HG13 VAL 6 -1.242 1.740 -9.682 42 HG21 VAL 6 HG21 VAL 6 -0.230 -1.826 -9.722 43 HG22 VAL 6 HG22 VAL 6 -0.878 -2.224 -8.130 44 HG23 VAL 6 HG23 VAL 6 0.578 -1.239 -8.269 45 H ILE 7 H ILE 7 -0.417 -0.885 -5.365 46 HA ILE 7 HA ILE 7 1.787 1.038 -5.044 47 HB ILE 7 HB ILE 7 0.784 -1.081 -3.129 48 HG12 ILE 7 HG12 ILE 7 0.487 1.939 -3.083 49 HG13 ILE 7 HG13 ILE 7 -0.798 0.786 -3.426 50 HG21 ILE 7 HG21 ILE 7 2.268 -0.002 -1.483 51 HG22 ILE 7 HG22 ILE 7 2.890 1.056 -2.751 52 HG23 ILE 7 HG23 ILE 7 3.168 -0.684 -2.836 53 HD11 ILE 7 HD11 ILE 7 -0.962 1.613 -1.163 54 HD12 ILE 7 HD12 ILE 7 0.679 1.070 -0.820 55 HD13 ILE 7 HD13 ILE 7 -0.587 -0.109 -1.160 56 H THR 8 H THR 8 3.684 0.498 -5.893 57 HA THR 8 HA THR 8 4.376 -2.292 -6.421 58 HB THR 8 HB THR 8 5.961 0.224 -7.035 59 HG1 THR 8 HG1 THR 8 3.876 -1.059 -8.347 60 HG21 THR 8 HG21 THR 8 7.377 -1.770 -6.912 61 HG22 THR 8 HG22 THR 8 7.222 -1.217 -8.579 62 HG23 THR 8 HG23 THR 8 6.301 -2.614 -8.025 63 H LEU 9 H LEU 9 5.524 -3.472 -5.005 64 HA LEU 9 HA LEU 9 6.754 -2.166 -2.712 65 HB2 LEU 9 HB2 LEU 9 6.478 -5.113 -3.335 66 HB3 LEU 9 HB3 LEU 9 6.992 -4.425 -1.798 67 HG LEU 9 HG LEU 9 4.249 -4.069 -3.037 68 HD11 LEU 9 HD11 LEU 9 4.608 -6.371 -2.318 69 HD12 LEU 9 HD12 LEU 9 3.469 -5.552 -1.248 70 HD13 LEU 9 HD13 LEU 9 5.136 -5.807 -0.732 71 HD21 LEU 9 HD21 LEU 9 3.652 -3.120 -0.846 72 HD22 LEU 9 HD22 LEU 9 4.884 -2.165 -1.668 73 HD23 LEU 9 HD23 LEU 9 5.340 -3.235 -0.343 74 H ASN 10 H ASN 10 8.903 -2.605 -2.008 75 HA ASN 10 HA ASN 10 10.979 -2.477 -3.841 76 HB2 ASN 10 HB2 ASN 10 11.358 -1.817 -1.570 77 HB3 ASN 10 HB3 ASN 10 10.893 -3.400 -0.959 78 HD21 ASN 10 HD21 ASN 10 13.372 -1.609 -2.644 79 HD22 ASN 10 HD22 ASN 10 14.647 -2.734 -2.338 80 H ASP 11 H ASP 11 9.361 -5.257 -2.484 81 HA ASP 11 HA ASP 11 11.097 -7.310 -3.302 82 HB2 ASP 11 HB2 ASP 11 9.254 -7.572 -1.674 83 HB3 ASP 11 HB3 ASP 11 8.081 -7.342 -2.966 84 H GLY 12 H GLY 12 8.952 -5.309 -5.112 85 HA2 GLY 12 HA2 GLY 12 9.068 -5.245 -7.523 86 HA3 GLY 12 HA3 GLY 12 9.325 -6.985 -7.517 87 H ARG 13 H ARG 13 7.243 -7.429 -5.503 88 HA ARG 13 HA ARG 13 5.028 -7.892 -7.186 89 HB2 ARG 13 HB2 ARG 13 5.611 -9.148 -5.077 90 HB3 ARG 13 HB3 ARG 13 5.016 -7.770 -4.161 91 HG2 ARG 13 HG2 ARG 13 2.808 -8.095 -5.381 92 HG3 ARG 13 HG3 ARG 13 3.456 -9.644 -5.922 93 HD2 ARG 13 HD2 ARG 13 3.890 -10.153 -3.465 94 HD3 ARG 13 HD3 ARG 13 2.902 -8.741 -3.099 95 HE ARG 13 HE ARG 13 1.993 -11.314 -3.886 96 HH11 ARG 13 HH11 ARG 13 1.207 -7.966 -4.145 97 HH12 ARG 13 HH12 ARG 13 -0.485 -8.271 -4.305 98 HH21 ARG 13 HH21 ARG 13 -0.179 -11.675 -4.093 99 HH22 ARG 13 HH22 ARG 13 -1.259 -10.335 -4.277 100 H GLU 14 H GLU 14 3.089 -6.804 -7.471 101 HA GLU 14 HA GLU 14 2.824 -4.165 -6.162 102 HB2 GLU 14 HB2 GLU 14 1.865 -5.050 -8.895 103 HB3 GLU 14 HB3 GLU 14 1.504 -3.489 -8.166 104 HG2 GLU 14 HG2 GLU 14 3.898 -2.965 -8.112 105 HG3 GLU 14 HG3 GLU 14 4.250 -4.523 -8.857 106 H ILE 15 H ILE 15 0.863 -3.556 -5.305 107 HA ILE 15 HA ILE 15 -1.295 -5.586 -5.289 108 HB ILE 15 HB ILE 15 -0.605 -3.754 -2.973 109 HG12 ILE 15 HG12 ILE 15 -0.027 -6.712 -3.322 110 HG13 ILE 15 HG13 ILE 15 1.173 -5.424 -3.310 111 HG21 ILE 15 HG21 ILE 15 -2.513 -6.094 -3.165 112 HG22 ILE 15 HG22 ILE 15 -2.967 -4.390 -3.093 113 HG23 ILE 15 HG23 ILE 15 -2.177 -5.153 -1.711 114 HD11 ILE 15 HD11 ILE 15 -0.574 -6.262 -1.006 115 HD12 ILE 15 HD12 ILE 15 0.573 -4.920 -0.982 116 HD13 ILE 15 HD13 ILE 15 1.153 -6.571 -1.195 117 H GLN 16 H GLN 16 -3.303 -4.854 -5.815 118 HA GLN 16 HA GLN 16 -3.606 -1.992 -6.400 119 HB2 GLN 16 HB2 GLN 16 -5.457 -4.285 -7.086 120 HB3 GLN 16 HB3 GLN 16 -5.585 -2.632 -7.670 121 HG2 GLN 16 HG2 GLN 16 -3.422 -2.894 -8.819 122 HG3 GLN 16 HG3 GLN 16 -3.362 -4.573 -8.280 123 HE21 GLN 16 HE21 GLN 16 -4.864 -2.315 -10.440 124 HE22 GLN 16 HE22 GLN 16 -5.676 -3.481 -11.419 125 H ALA 17 H ALA 17 -4.955 -0.656 -5.306 126 HA ALA 17 HA ALA 17 -6.642 -1.824 -3.178 127 HB1 ALA 17 HB1 ALA 17 -6.058 0.067 -1.746 128 HB2 ALA 17 HB2 ALA 17 -5.011 0.714 -3.010 129 HB3 ALA 17 HB3 ALA 17 -4.617 -0.821 -2.238 130 H VAL 18 H VAL 18 -8.617 -0.864 -2.748 131 HA VAL 18 HA VAL 18 -9.735 0.875 -4.804 132 HB VAL 18 HB VAL 18 -11.889 0.546 -3.606 133 HG11 VAL 18 HG11 VAL 18 -10.388 -2.006 -4.215 134 HG12 VAL 18 HG12 VAL 18 -11.257 -1.005 -5.377 135 HG13 VAL 18 HG13 VAL 18 -12.142 -1.847 -4.106 136 HG21 VAL 18 HG21 VAL 18 -10.245 -1.193 -1.756 137 HG22 VAL 18 HG22 VAL 18 -12.006 -1.084 -1.764 138 HG23 VAL 18 HG23 VAL 18 -11.038 0.326 -1.333 139 H ASP 19 H ASP 19 -8.321 1.222 -1.742 140 HA ASP 19 HA ASP 19 -9.289 4.004 -1.539 141 HB2 ASP 19 HB2 ASP 19 -8.647 2.009 0.641 142 HB3 ASP 19 HB3 ASP 19 -8.628 3.742 0.951 143 H THR 20 H THR 20 -7.709 5.563 -0.772 144 HA THR 20 HA THR 20 -5.120 5.088 -1.946 145 HB THR 20 HB THR 20 -4.642 7.455 -1.347 146 HG1 THR 20 HG1 THR 20 -6.901 8.463 -0.661 147 HG21 THR 20 HG21 THR 20 -5.730 6.933 -3.475 148 HG22 THR 20 HG22 THR 20 -6.317 8.468 -2.829 149 HG23 THR 20 HG23 THR 20 -7.313 7.018 -2.699 150 HA PRO 21 HA PRO 21 -3.169 3.561 1.705 151 HB2 PRO 21 HB2 PRO 21 -0.556 4.006 1.025 152 HB3 PRO 21 HB3 PRO 21 -1.536 2.700 0.345 153 HG2 PRO 21 HG2 PRO 21 -0.923 5.403 -0.810 154 HG3 PRO 21 HG3 PRO 21 -0.889 3.817 -1.605 155 HD2 PRO 21 HD2 PRO 21 -2.970 5.491 -1.907 156 HD3 PRO 21 HD3 PRO 21 -3.206 3.731 -1.809 157 H LYS 22 H LYS 22 -3.042 4.481 3.638 158 HA LYS 22 HA LYS 22 -2.056 7.230 3.939 159 HB2 LYS 22 HB2 LYS 22 -4.191 6.639 5.033 160 HB3 LYS 22 HB3 LYS 22 -3.376 5.373 5.943 161 HG2 LYS 22 HG2 LYS 22 -1.893 7.242 6.884 162 HG3 LYS 22 HG3 LYS 22 -3.089 8.356 6.220 163 HD2 LYS 22 HD2 LYS 22 -3.583 7.930 8.555 164 HD3 LYS 22 HD3 LYS 22 -4.842 7.206 7.550 165 HE2 LYS 22 HE2 LYS 22 -3.807 5.013 7.785 166 HE3 LYS 22 HE3 LYS 22 -2.481 5.714 8.711 167 HZ1 LYS 22 HZ1 LYS 22 -5.318 5.784 9.571 168 HZ2 LYS 22 HZ2 LYS 22 -3.969 6.244 10.476 169 HZ3 LYS 22 HZ3 LYS 22 -4.204 4.617 10.079 170 H TYR 23 H TYR 23 -0.001 7.606 4.640 171 HA TYR 23 HA TYR 23 1.581 5.446 5.754 172 HB2 TYR 23 HB2 TYR 23 2.735 7.001 4.293 173 HB3 TYR 23 HB3 TYR 23 2.252 8.367 5.298 174 HD1 TYR 23 HD1 TYR 23 4.018 5.082 5.696 175 HD2 TYR 23 HD2 TYR 23 3.866 9.204 6.759 176 HE1 TYR 23 HE1 TYR 23 6.059 4.806 7.034 177 HE2 TYR 23 HE2 TYR 23 5.912 8.935 8.100 178 HH TYR 23 HH TYR 23 7.099 7.011 9.299 179 H ASP 24 H ASP 24 1.362 4.898 7.819 180 HA ASP 24 HA ASP 24 0.630 6.926 9.804 181 HB2 ASP 24 HB2 ASP 24 -0.662 4.816 9.780 182 HB3 ASP 24 HB3 ASP 24 0.819 3.912 10.084 183 H GLU 25 H GLU 25 2.370 8.026 10.471 184 HA GLU 25 HA GLU 25 5.019 6.980 10.462 185 HB2 GLU 25 HB2 GLU 25 4.585 9.351 10.113 186 HB3 GLU 25 HB3 GLU 25 3.885 9.488 11.720 187 HG2 GLU 25 HG2 GLU 25 6.045 8.992 12.726 188 HG3 GLU 25 HG3 GLU 25 6.758 8.793 11.126 189 H GLU 26 H GLU 26 2.515 7.170 12.879 190 HA GLU 26 HA GLU 26 4.061 6.870 15.204 191 HB2 GLU 26 HB2 GLU 26 1.283 5.750 14.769 192 HB3 GLU 26 HB3 GLU 26 2.021 6.190 16.304 193 HG2 GLU 26 HG2 GLU 26 1.253 8.083 14.087 194 HG3 GLU 26 HG3 GLU 26 0.391 7.849 15.603 195 H SER 27 H SER 27 2.389 4.351 13.281 196 HA SER 27 HA SER 27 3.842 2.247 14.683 197 HB2 SER 27 HB2 SER 27 1.864 2.039 12.396 198 HB3 SER 27 HB3 SER 27 2.489 0.695 13.348 199 HG SER 27 HG SER 27 0.650 2.699 14.056 200 H GLY 28 H GLY 28 4.070 3.966 11.662 201 HA2 GLY 28 HA2 GLY 28 5.983 4.025 10.295 202 HA3 GLY 28 HA3 GLY 28 6.543 2.534 11.033 203 H PHE 29 H PHE 29 3.282 2.417 10.012 204 HA PHE 29 HA PHE 29 4.102 0.749 7.715 205 HB2 PHE 29 HB2 PHE 29 1.619 0.529 9.438 206 HB3 PHE 29 HB3 PHE 29 1.986 -0.494 8.054 207 HD1 PHE 29 HD1 PHE 29 4.021 -1.988 8.165 208 HD2 PHE 29 HD2 PHE 29 2.465 0.035 11.570 209 HE1 PHE 29 HE1 PHE 29 5.231 -3.544 9.637 210 HE2 PHE 29 HE2 PHE 29 3.677 -1.511 13.049 211 HZ PHE 29 HZ PHE 29 5.063 -3.303 12.083 212 H TYR 30 H TYR 30 2.750 0.684 5.850 213 HA TYR 30 HA TYR 30 1.043 3.035 5.399 214 HB2 TYR 30 HB2 TYR 30 2.346 1.032 3.548 215 HB3 TYR 30 HB3 TYR 30 1.052 2.083 2.988 216 HD1 TYR 30 HD1 TYR 30 4.496 2.094 4.409 217 HD2 TYR 30 HD2 TYR 30 1.491 4.319 2.356 218 HE1 TYR 30 HE1 TYR 30 6.136 3.862 3.925 219 HE2 TYR 30 HE2 TYR 30 3.129 6.089 1.875 220 HH TYR 30 HH TYR 30 5.282 6.925 2.876 221 H GLU 31 H GLU 31 -1.104 2.812 5.573 222 HA GLU 31 HA GLU 31 -2.258 0.099 5.589 223 HB2 GLU 31 HB2 GLU 31 -3.478 2.663 6.644 224 HB3 GLU 31 HB3 GLU 31 -4.103 1.033 6.861 225 HG2 GLU 31 HG2 GLU 31 -2.038 0.475 8.141 226 HG3 GLU 31 HG3 GLU 31 -1.560 2.167 8.020 227 H PHE 32 H PHE 32 -3.402 -0.525 3.869 228 HA PHE 32 HA PHE 32 -5.076 1.406 2.445 229 HB2 PHE 32 HB2 PHE 32 -4.248 0.640 0.230 230 HB3 PHE 32 HB3 PHE 32 -3.024 1.491 1.162 231 HD1 PHE 32 HD1 PHE 32 -1.239 0.149 2.341 232 HD2 PHE 32 HD2 PHE 32 -3.880 -1.559 -0.536 233 HE1 PHE 32 HE1 PHE 32 0.315 -1.731 2.030 234 HE2 PHE 32 HE2 PHE 32 -2.328 -3.440 -0.844 235 HZ PHE 32 HZ PHE 32 -0.226 -3.529 0.436 236 H LYS 33 H LYS 33 -6.666 0.398 1.024 237 HA LYS 33 HA LYS 33 -7.467 -2.247 2.066 238 HB2 LYS 33 HB2 LYS 33 -8.981 -0.309 2.497 239 HB3 LYS 33 HB3 LYS 33 -9.191 -0.129 0.761 240 HG2 LYS 33 HG2 LYS 33 -10.072 -2.505 0.744 241 HG3 LYS 33 HG3 LYS 33 -10.093 -2.414 2.508 242 HD2 LYS 33 HD2 LYS 33 -11.582 -0.597 0.603 243 HD3 LYS 33 HD3 LYS 33 -12.292 -1.884 1.577 244 HE2 LYS 33 HE2 LYS 33 -11.905 -0.707 3.593 245 HE3 LYS 33 HE3 LYS 33 -10.795 0.419 2.812 246 HZ1 LYS 33 HZ1 LYS 33 -12.648 1.319 1.556 247 HZ2 LYS 33 HZ2 LYS 33 -12.927 1.451 3.219 248 HZ3 LYS 33 HZ3 LYS 33 -13.720 0.257 2.322 249 H GLN 34 H GLN 34 -6.996 -3.860 0.698 250 HA GLN 34 HA GLN 34 -6.364 -3.606 -2.027 251 HB2 GLN 34 HB2 GLN 34 -7.333 -6.070 -0.558 252 HB3 GLN 34 HB3 GLN 34 -6.478 -6.062 -2.094 253 HG2 GLN 34 HG2 GLN 34 -4.501 -5.135 -1.002 254 HG3 GLN 34 HG3 GLN 34 -5.360 -5.105 0.540 255 HE21 GLN 34 HE21 GLN 34 -5.773 -7.072 1.605 256 HE22 GLN 34 HE22 GLN 34 -4.936 -8.523 1.188 257 H LEU 35 H LEU 35 -7.504 -4.751 -3.862 258 HA LEU 35 HA LEU 35 -10.132 -3.816 -4.256 259 HB2 LEU 35 HB2 LEU 35 -8.781 -6.122 -5.672 260 HB3 LEU 35 HB3 LEU 35 -10.184 -5.243 -6.248 261 HG LEU 35 HG LEU 35 -7.374 -4.159 -5.967 262 HD11 LEU 35 HD11 LEU 35 -7.466 -3.982 -8.406 263 HD12 LEU 35 HD12 LEU 35 -9.066 -4.725 -8.405 264 HD13 LEU 35 HD13 LEU 35 -7.662 -5.650 -7.870 265 HD21 LEU 35 HD21 LEU 35 -9.880 -2.763 -6.920 266 HD22 LEU 35 HD22 LEU 35 -8.241 -2.116 -7.012 267 HD23 LEU 35 HD23 LEU 35 -8.985 -2.409 -5.440 268 H ASP 36 H ASP 36 -8.962 -6.647 -2.689 269 HA ASP 36 HA ASP 36 -11.341 -8.233 -2.831 270 HB2 ASP 36 HB2 ASP 36 -9.106 -8.371 -0.792 271 HB3 ASP 36 HB3 ASP 36 -10.242 -9.654 -1.201 272 H GLY 37 H GLY 37 -10.626 -5.410 -1.138 273 HA2 GLY 37 HA2 GLY 37 -12.089 -4.288 0.334 274 HA3 GLY 37 HA3 GLY 37 -12.864 -5.820 0.706 275 H LYS 38 H LYS 38 -9.710 -6.542 0.901 276 HA LYS 38 HA LYS 38 -9.714 -6.471 3.792 277 HB2 LYS 38 HB2 LYS 38 -7.646 -7.513 1.844 278 HB3 LYS 38 HB3 LYS 38 -7.587 -7.727 3.587 279 HG2 LYS 38 HG2 LYS 38 -9.727 -8.988 3.451 280 HG3 LYS 38 HG3 LYS 38 -9.641 -8.859 1.691 281 HD2 LYS 38 HD2 LYS 38 -7.524 -10.074 1.685 282 HD3 LYS 38 HD3 LYS 38 -7.542 -10.151 3.448 283 HE2 LYS 38 HE2 LYS 38 -8.278 -12.267 2.567 284 HE3 LYS 38 HE3 LYS 38 -9.648 -11.455 3.322 285 HZ1 LYS 38 HZ1 LYS 38 -9.091 -11.483 0.406 286 HZ2 LYS 38 HZ2 LYS 38 -10.447 -10.806 1.160 287 HZ3 LYS 38 HZ3 LYS 38 -10.210 -12.477 1.187 288 H GLN 39 H GLN 39 -8.965 -4.771 4.928 289 HA GLN 39 HA GLN 39 -7.043 -2.904 3.800 290 HB2 GLN 39 HB2 GLN 39 -8.891 -2.126 5.286 291 HB3 GLN 39 HB3 GLN 39 -8.174 -3.031 6.614 292 HG2 GLN 39 HG2 GLN 39 -6.119 -1.635 6.362 293 HG3 GLN 39 HG3 GLN 39 -6.978 -0.669 5.165 294 HE21 GLN 39 HE21 GLN 39 -8.709 0.639 5.861 295 HE22 GLN 39 HE22 GLN 39 -8.896 1.086 7.518 296 H THR 40 H THR 40 -4.911 -3.410 3.789 297 HA THR 40 HA THR 40 -3.867 -5.084 5.998 298 HB THR 40 HB THR 40 -3.796 -6.318 3.896 299 HG1 THR 40 HG1 THR 40 -2.080 -6.943 5.034 300 HG21 THR 40 HG21 THR 40 -3.706 -4.470 2.307 301 HG22 THR 40 HG22 THR 40 -2.365 -5.580 2.032 302 HG23 THR 40 HG23 THR 40 -2.085 -4.048 2.858 303 H ARG 41 H ARG 41 -1.716 -4.701 6.723 304 HA ARG 41 HA ARG 41 -0.783 -1.923 6.289 305 HB2 ARG 41 HB2 ARG 41 -0.381 -3.595 8.784 306 HB3 ARG 41 HB3 ARG 41 -0.053 -1.878 8.588 307 HG2 ARG 41 HG2 ARG 41 -2.409 -1.391 8.436 308 HG3 ARG 41 HG3 ARG 41 -2.804 -3.110 8.444 309 HD2 ARG 41 HD2 ARG 41 -3.214 -2.416 10.643 310 HD3 ARG 41 HD3 ARG 41 -1.635 -3.193 10.720 311 HE ARG 41 HE ARG 41 -1.843 -0.272 10.481 312 HH11 ARG 41 HH11 ARG 41 -0.732 -3.057 12.182 313 HH12 ARG 41 HH12 ARG 41 0.060 -2.118 13.402 314 HH21 ARG 41 HH21 ARG 41 -0.833 0.905 12.071 315 HH22 ARG 41 HH22 ARG 41 0.006 0.085 13.343 316 H ILE 42 H ILE 42 1.248 -1.743 5.450 317 HA ILE 42 HA ILE 42 3.140 -3.981 5.851 318 HB ILE 42 HB ILE 42 2.160 -4.056 3.560 319 HG12 ILE 42 HG12 ILE 42 5.104 -3.344 3.530 320 HG13 ILE 42 HG13 ILE 42 4.474 -4.883 4.109 321 HG21 ILE 42 HG21 ILE 42 1.810 -1.672 3.200 322 HG22 ILE 42 HG22 ILE 42 2.807 -2.351 1.913 323 HG23 ILE 42 HG23 ILE 42 3.552 -1.398 3.195 324 HD11 ILE 42 HD11 ILE 42 5.309 -5.061 1.840 325 HD12 ILE 42 HD12 ILE 42 4.195 -3.800 1.315 326 HD13 ILE 42 HD13 ILE 42 3.570 -5.345 1.893 327 H ASN 43 H ASN 43 5.378 -3.403 5.990 328 HA ASN 43 HA ASN 43 5.727 -0.962 7.387 329 HB2 ASN 43 HB2 ASN 43 6.978 -3.074 7.862 330 HB3 ASN 43 HB3 ASN 43 7.919 -2.796 6.396 331 HD21 ASN 43 HD21 ASN 43 9.855 -2.574 7.516 332 HD22 ASN 43 HD22 ASN 43 10.205 -1.198 8.495 333 H LYS 44 H LYS 44 7.107 0.777 6.980 334 HA LYS 44 HA LYS 44 6.716 2.029 4.522 335 HB2 LYS 44 HB2 LYS 44 8.341 3.736 5.410 336 HB3 LYS 44 HB3 LYS 44 7.007 3.337 6.487 337 HG2 LYS 44 HG2 LYS 44 8.510 1.805 7.726 338 HG3 LYS 44 HG3 LYS 44 9.842 2.325 6.691 339 HD2 LYS 44 HD2 LYS 44 9.656 4.590 7.512 340 HD3 LYS 44 HD3 LYS 44 8.204 4.180 8.429 341 HE2 LYS 44 HE2 LYS 44 9.507 2.662 9.834 342 HE3 LYS 44 HE3 LYS 44 10.956 3.022 8.897 343 HZ1 LYS 44 HZ1 LYS 44 10.915 5.262 9.656 344 HZ2 LYS 44 HZ2 LYS 44 10.784 4.264 11.012 345 HZ3 LYS 44 HZ3 LYS 44 9.419 5.056 10.410 346 H ASP 45 H ASP 45 9.265 -0.178 5.351 347 HA ASP 45 HA ASP 45 11.107 0.887 3.374 348 HB2 ASP 45 HB2 ASP 45 12.578 -0.965 4.019 349 HB3 ASP 45 HB3 ASP 45 12.009 -0.078 5.427 350 H GLN 46 H GLN 46 8.569 -1.447 3.442 351 HA GLN 46 HA GLN 46 9.564 -3.013 1.223 352 HB2 GLN 46 HB2 GLN 46 6.861 -3.056 2.582 353 HB3 GLN 46 HB3 GLN 46 7.429 -4.230 1.405 354 HG2 GLN 46 HG2 GLN 46 8.777 -3.727 4.043 355 HG3 GLN 46 HG3 GLN 46 7.547 -4.959 3.793 356 HE21 GLN 46 HE21 GLN 46 8.970 -6.609 4.327 357 HE22 GLN 46 HE22 GLN 46 10.243 -7.113 3.277 358 H VAL 47 H VAL 47 7.796 -0.099 1.496 359 HA VAL 47 HA VAL 47 6.408 -0.440 -1.042 360 HB VAL 47 HB VAL 47 5.233 0.769 0.702 361 HG11 VAL 47 HG11 VAL 47 7.492 2.769 0.584 362 HG12 VAL 47 HG12 VAL 47 7.104 1.699 1.932 363 HG13 VAL 47 HG13 VAL 47 5.984 2.981 1.475 364 HG21 VAL 47 HG21 VAL 47 6.030 2.615 -1.556 365 HG22 VAL 47 HG22 VAL 47 4.586 2.771 -0.554 366 HG23 VAL 47 HG23 VAL 47 4.773 1.380 -1.624 367 H ARG 48 H ARG 48 7.447 -0.174 -2.900 368 HA ARG 48 HA ARG 48 9.858 1.426 -3.116 369 HB2 ARG 48 HB2 ARG 48 9.560 -0.754 -4.315 370 HB3 ARG 48 HB3 ARG 48 8.314 0.002 -5.298 371 HG2 ARG 48 HG2 ARG 48 10.005 1.632 -6.108 372 HG3 ARG 48 HG3 ARG 48 11.236 0.745 -5.206 373 HD2 ARG 48 HD2 ARG 48 10.587 -1.302 -6.515 374 HD3 ARG 48 HD3 ARG 48 9.562 -0.266 -7.510 375 HE ARG 48 HE ARG 48 12.497 -0.070 -7.325 376 HH11 ARG 48 HH11 ARG 48 9.558 0.477 -9.066 377 HH12 ARG 48 HH12 ARG 48 10.389 0.980 -10.494 378 HH21 ARG 48 HH21 ARG 48 13.523 0.572 -9.161 379 HH22 ARG 48 HH22 ARG 48 12.595 1.021 -10.551 380 H THR 49 H THR 49 6.793 1.386 -4.949 381 HA THR 49 HA THR 49 6.784 4.330 -5.033 382 HB THR 49 HB THR 49 6.128 4.278 -7.448 383 HG1 THR 49 HG1 THR 49 6.785 2.268 -8.567 384 HG21 THR 49 HG21 THR 49 8.438 4.822 -6.840 385 HG22 THR 49 HG22 THR 49 8.377 3.927 -8.359 386 HG23 THR 49 HG23 THR 49 8.859 3.109 -6.871 387 H VAL 50 H VAL 50 4.732 5.265 -5.279 388 HA VAL 50 HA VAL 50 2.420 3.418 -5.198 389 HB VAL 50 HB VAL 50 2.653 6.142 -3.885 390 HG11 VAL 50 HG11 VAL 50 0.380 4.147 -3.864 391 HG12 VAL 50 HG12 VAL 50 0.387 5.729 -4.645 392 HG13 VAL 50 HG13 VAL 50 0.460 5.617 -2.889 393 HG21 VAL 50 HG21 VAL 50 2.542 4.916 -1.756 394 HG22 VAL 50 HG22 VAL 50 3.961 4.457 -2.696 395 HG23 VAL 50 HG23 VAL 50 2.560 3.389 -2.637 396 H LYS 51 H LYS 51 1.247 3.538 -7.034 397 HA LYS 51 HA LYS 51 1.011 6.148 -8.406 398 HB2 LYS 51 HB2 LYS 51 1.458 3.477 -9.774 399 HB3 LYS 51 HB3 LYS 51 1.227 5.022 -10.579 400 HG2 LYS 51 HG2 LYS 51 3.312 5.851 -9.592 401 HG3 LYS 51 HG3 LYS 51 3.543 4.299 -8.789 402 HD2 LYS 51 HD2 LYS 51 3.458 4.761 -11.778 403 HD3 LYS 51 HD3 LYS 51 4.905 4.458 -10.815 404 HE2 LYS 51 HE2 LYS 51 4.510 2.347 -11.620 405 HE3 LYS 51 HE3 LYS 51 3.585 2.277 -10.125 406 HZ1 LYS 51 HZ1 LYS 51 2.293 1.385 -11.931 407 HZ2 LYS 51 HZ2 LYS 51 2.504 2.791 -12.846 408 HZ3 LYS 51 HZ3 LYS 51 1.584 2.834 -11.432 409 H ASP 52 H ASP 52 -0.989 6.615 -9.278 410 HA ASP 52 HA ASP 52 -3.224 4.932 -8.538 411 HB2 ASP 52 HB2 ASP 52 -3.165 7.497 -10.157 412 HB3 ASP 52 HB3 ASP 52 -4.614 6.708 -9.544 413 H LEU 53 H LEU 53 -4.838 4.149 -10.077 414 HA LEU 53 HA LEU 53 -3.703 3.208 -12.575 415 HB2 LEU 53 HB2 LEU 53 -6.490 2.893 -11.435 416 HB3 LEU 53 HB3 LEU 53 -5.916 2.119 -12.902 417 HG LEU 53 HG LEU 53 -4.870 1.630 -10.104 418 HD11 LEU 53 HD11 LEU 53 -6.439 -0.161 -11.957 419 HD12 LEU 53 HD12 LEU 53 -7.068 0.636 -10.515 420 HD13 LEU 53 HD13 LEU 53 -5.818 -0.599 -10.364 421 HD21 LEU 53 HD21 LEU 53 -3.509 -0.141 -11.132 422 HD22 LEU 53 HD22 LEU 53 -3.060 1.457 -11.724 423 HD23 LEU 53 HD23 LEU 53 -4.036 0.388 -12.729 424 H LEU 54 H LEU 54 -5.203 6.006 -11.576 425 HA LEU 54 HA LEU 54 -6.153 6.688 -14.284 426 HB2 LEU 54 HB2 LEU 54 -6.799 8.059 -11.663 427 HB3 LEU 54 HB3 LEU 54 -7.495 8.427 -13.231 428 HG LEU 54 HG LEU 54 -7.892 5.846 -11.698 429 HD11 LEU 54 HD11 LEU 54 -10.183 6.617 -11.379 430 HD12 LEU 54 HD12 LEU 54 -9.801 8.131 -12.203 431 HD13 LEU 54 HD13 LEU 54 -9.033 7.747 -10.661 432 HD21 LEU 54 HD21 LEU 54 -9.128 6.796 -14.288 433 HD22 LEU 54 HD22 LEU 54 -9.567 5.328 -13.413 434 HD23 LEU 54 HD23 LEU 54 -7.957 5.486 -14.114 435 H GLU 55 H GLU 55 -4.230 7.360 -15.196 436 HA GLU 55 HA GLU 55 -2.775 9.551 -13.839 437 HB2 GLU 55 HB2 GLU 55 -1.721 7.535 -15.839 438 HB3 GLU 55 HB3 GLU 55 -0.782 8.831 -15.107 439 HG2 GLU 55 HG2 GLU 55 -1.150 7.824 -12.893 440 HG3 GLU 55 HG3 GLU 55 -2.048 6.511 -13.654 Start of MODEL 6 1 H1 MET 1 H1 MET 1 -14.520 9.245 -0.168 2 H2 MET 1 H2 MET 1 -15.856 8.493 -0.880 3 H3 MET 1 H3 MET 1 -15.603 10.146 -1.103 4 HA MET 1 HA MET 1 -15.000 8.898 -3.072 5 HB2 MET 1 HB2 MET 1 -12.789 9.876 -3.398 6 HB3 MET 1 HB3 MET 1 -13.833 11.002 -2.545 7 HG2 MET 1 HG2 MET 1 -12.762 10.440 -0.439 8 HG3 MET 1 HG3 MET 1 -11.746 9.252 -1.255 9 HE1 MET 1 HE1 MET 1 -11.461 13.816 -1.910 10 HE2 MET 1 HE2 MET 1 -12.563 13.050 -0.767 11 HE3 MET 1 HE3 MET 1 -12.816 12.859 -2.503 12 H ALA 2 H ALA 2 -13.180 7.635 -4.074 13 HA ALA 2 HA ALA 2 -11.632 5.864 -2.417 14 HB1 ALA 2 HB1 ALA 2 -12.606 3.766 -3.159 15 HB2 ALA 2 HB2 ALA 2 -13.822 4.631 -4.099 16 HB3 ALA 2 HB3 ALA 2 -13.829 4.738 -2.340 17 H SER 3 H SER 3 -9.926 6.781 -3.613 18 HA SER 3 HA SER 3 -9.918 6.595 -6.509 19 HB2 SER 3 HB2 SER 3 -7.735 7.570 -4.642 20 HB3 SER 3 HB3 SER 3 -7.789 7.797 -6.390 21 HG SER 3 HG SER 3 -8.543 9.601 -5.016 22 HA PRO 4 HA PRO 4 -8.142 2.455 -6.257 23 HB2 PRO 4 HB2 PRO 4 -7.783 2.135 -8.962 24 HB3 PRO 4 HB3 PRO 4 -9.325 1.885 -8.137 25 HG2 PRO 4 HG2 PRO 4 -8.352 4.283 -9.650 26 HG3 PRO 4 HG3 PRO 4 -9.950 3.510 -9.683 27 HD2 PRO 4 HD2 PRO 4 -9.494 5.758 -8.271 28 HD3 PRO 4 HD3 PRO 4 -10.609 4.503 -7.687 29 H THR 5 H THR 5 -6.093 2.117 -5.657 30 HA THR 5 HA THR 5 -3.919 3.503 -7.111 31 HB THR 5 HB THR 5 -4.051 3.148 -4.100 32 HG1 THR 5 HG1 THR 5 -5.531 4.745 -4.827 33 HG21 THR 5 HG21 THR 5 -2.097 4.654 -5.853 34 HG22 THR 5 HG22 THR 5 -1.759 3.179 -4.944 35 HG23 THR 5 HG23 THR 5 -2.115 4.682 -4.090 36 H VAL 6 H VAL 6 -1.935 2.392 -7.256 37 HA VAL 6 HA VAL 6 -1.934 -0.391 -6.257 38 HB VAL 6 HB VAL 6 -2.208 -0.430 -8.672 39 HG11 VAL 6 HG11 VAL 6 -1.295 1.726 -9.269 40 HG12 VAL 6 HG12 VAL 6 -0.461 0.465 -10.177 41 HG13 VAL 6 HG13 VAL 6 0.323 1.213 -8.786 42 HG21 VAL 6 HG21 VAL 6 -0.284 -1.823 -9.279 43 HG22 VAL 6 HG22 VAL 6 -0.859 -2.197 -7.654 44 HG23 VAL 6 HG23 VAL 6 0.598 -1.226 -7.873 45 H ILE 7 H ILE 7 -0.316 -0.910 -4.941 46 HA ILE 7 HA ILE 7 1.890 0.996 -4.587 47 HB ILE 7 HB ILE 7 1.010 -1.282 -2.796 48 HG12 ILE 7 HG12 ILE 7 0.579 1.711 -2.512 49 HG13 ILE 7 HG13 ILE 7 -0.661 0.539 -2.953 50 HG21 ILE 7 HG21 ILE 7 2.489 -0.253 -1.122 51 HG22 ILE 7 HG22 ILE 7 3.014 0.931 -2.319 52 HG23 ILE 7 HG23 ILE 7 3.385 -0.778 -2.548 53 HD11 ILE 7 HD11 ILE 7 -0.831 1.173 -0.618 54 HD12 ILE 7 HD12 ILE 7 0.824 0.637 -0.337 55 HD13 ILE 7 HD13 ILE 7 -0.420 -0.535 -0.774 56 H THR 8 H THR 8 3.732 0.557 -5.615 57 HA THR 8 HA THR 8 4.458 -2.160 -6.365 58 HB THR 8 HB THR 8 6.097 0.369 -6.714 59 HG1 THR 8 HG1 THR 8 4.184 -0.844 -8.464 60 HG21 THR 8 HG21 THR 8 7.389 -1.702 -6.937 61 HG22 THR 8 HG22 THR 8 7.217 -0.898 -8.498 62 HG23 THR 8 HG23 THR 8 6.229 -2.308 -8.119 63 H LEU 9 H LEU 9 5.393 -3.448 -4.838 64 HA LEU 9 HA LEU 9 6.860 -2.338 -2.618 65 HB2 LEU 9 HB2 LEU 9 6.584 -5.224 -3.472 66 HB3 LEU 9 HB3 LEU 9 7.233 -4.664 -1.938 67 HG LEU 9 HG LEU 9 4.373 -4.428 -2.894 68 HD11 LEU 9 HD11 LEU 9 4.974 -6.643 -2.090 69 HD12 LEU 9 HD12 LEU 9 3.892 -5.845 -0.951 70 HD13 LEU 9 HD13 LEU 9 5.618 -5.952 -0.601 71 HD21 LEU 9 HD21 LEU 9 3.892 -3.370 -0.742 72 HD22 LEU 9 HD22 LEU 9 5.011 -2.396 -1.694 73 HD23 LEU 9 HD23 LEU 9 5.613 -3.367 -0.349 74 H ASN 10 H ASN 10 9.054 -3.269 -2.043 75 HA ASN 10 HA ASN 10 10.894 -2.314 -3.955 76 HB2 ASN 10 HB2 ASN 10 11.216 -2.282 -1.469 77 HB3 ASN 10 HB3 ASN 10 11.517 -4.016 -1.528 78 HD21 ASN 10 HD21 ASN 10 13.605 -3.787 -0.751 79 HD22 ASN 10 HD22 ASN 10 14.885 -3.140 -1.715 80 H ASP 11 H ASP 11 9.840 -5.569 -3.136 81 HA ASP 11 HA ASP 11 11.776 -6.886 -4.812 82 HB2 ASP 11 HB2 ASP 11 9.235 -7.892 -3.502 83 HB3 ASP 11 HB3 ASP 11 10.388 -8.915 -4.356 84 H GLY 12 H GLY 12 9.403 -4.907 -5.743 85 HA2 GLY 12 HA2 GLY 12 8.797 -4.527 -7.973 86 HA3 GLY 12 HA3 GLY 12 9.249 -6.175 -8.366 87 H ARG 13 H ARG 13 7.433 -6.806 -5.837 88 HA ARG 13 HA ARG 13 5.145 -7.566 -7.355 89 HB2 ARG 13 HB2 ARG 13 5.945 -8.857 -5.414 90 HB3 ARG 13 HB3 ARG 13 5.532 -7.519 -4.348 91 HG2 ARG 13 HG2 ARG 13 3.163 -7.776 -4.964 92 HG3 ARG 13 HG3 ARG 13 3.592 -9.140 -5.999 93 HD2 ARG 13 HD2 ARG 13 4.443 -10.348 -4.033 94 HD3 ARG 13 HD3 ARG 13 4.000 -8.985 -3.005 95 HE ARG 13 HE ARG 13 1.890 -10.257 -4.579 96 HH11 ARG 13 HH11 ARG 13 3.403 -9.831 -1.494 97 HH12 ARG 13 HH12 ARG 13 2.012 -10.376 -0.624 98 HH21 ARG 13 HH21 ARG 13 0.135 -10.985 -3.431 99 HH22 ARG 13 HH22 ARG 13 0.193 -11.022 -1.704 100 H GLU 14 H GLU 14 3.432 -6.335 -7.904 101 HA GLU 14 HA GLU 14 2.923 -3.859 -6.387 102 HB2 GLU 14 HB2 GLU 14 1.927 -4.655 -9.137 103 HB3 GLU 14 HB3 GLU 14 1.661 -3.103 -8.354 104 HG2 GLU 14 HG2 GLU 14 4.133 -2.762 -8.341 105 HG3 GLU 14 HG3 GLU 14 4.292 -4.238 -9.291 106 H ILE 15 H ILE 15 1.127 -3.613 -5.196 107 HA ILE 15 HA ILE 15 -1.020 -5.634 -5.436 108 HB ILE 15 HB ILE 15 -0.204 -4.060 -2.978 109 HG12 ILE 15 HG12 ILE 15 0.134 -7.008 -3.626 110 HG13 ILE 15 HG13 ILE 15 1.427 -5.814 -3.583 111 HG21 ILE 15 HG21 ILE 15 -2.299 -6.216 -3.310 112 HG22 ILE 15 HG22 ILE 15 -2.603 -4.505 -3.012 113 HG23 ILE 15 HG23 ILE 15 -1.814 -5.487 -1.779 114 HD11 ILE 15 HD11 ILE 15 -0.249 -6.704 -1.244 115 HD12 ILE 15 HD12 ILE 15 1.022 -5.481 -1.189 116 HD13 ILE 15 HD13 ILE 15 1.424 -7.156 -1.573 117 H GLN 16 H GLN 16 -3.055 -4.939 -5.838 118 HA GLN 16 HA GLN 16 -3.456 -2.064 -6.236 119 HB2 GLN 16 HB2 GLN 16 -5.106 -4.436 -7.134 120 HB3 GLN 16 HB3 GLN 16 -5.469 -2.757 -7.517 121 HG2 GLN 16 HG2 GLN 16 -3.394 -2.567 -8.769 122 HG3 GLN 16 HG3 GLN 16 -2.959 -4.219 -8.332 123 HE21 GLN 16 HE21 GLN 16 -5.040 -2.228 -10.277 124 HE22 GLN 16 HE22 GLN 16 -5.591 -3.481 -11.325 125 H ALA 17 H ALA 17 -4.916 -0.855 -5.182 126 HA ALA 17 HA ALA 17 -6.687 -2.128 -3.193 127 HB1 ALA 17 HB1 ALA 17 -6.212 -0.327 -1.627 128 HB2 ALA 17 HB2 ALA 17 -5.116 0.424 -2.787 129 HB3 ALA 17 HB3 ALA 17 -4.716 -1.143 -2.084 130 H VAL 18 H VAL 18 -8.659 -1.017 -2.748 131 HA VAL 18 HA VAL 18 -9.767 0.342 -5.026 132 HB VAL 18 HB VAL 18 -11.859 0.448 -3.726 133 HG11 VAL 18 HG11 VAL 18 -10.478 -2.237 -3.618 134 HG12 VAL 18 HG12 VAL 18 -11.363 -1.570 -4.990 135 HG13 VAL 18 HG13 VAL 18 -12.219 -1.977 -3.503 136 HG21 VAL 18 HG21 VAL 18 -10.265 -0.812 -1.486 137 HG22 VAL 18 HG22 VAL 18 -12.005 -0.518 -1.488 138 HG23 VAL 18 HG23 VAL 18 -10.880 0.841 -1.499 139 H ASP 19 H ASP 19 -8.415 1.354 -1.996 140 HA ASP 19 HA ASP 19 -8.938 4.159 -2.728 141 HB2 ASP 19 HB2 ASP 19 -8.871 4.609 -0.193 142 HB3 ASP 19 HB3 ASP 19 -10.332 3.891 -0.860 143 H THR 20 H THR 20 -7.361 5.629 -1.333 144 HA THR 20 HA THR 20 -4.716 4.811 -2.187 145 HB THR 20 HB THR 20 -3.996 7.069 -1.673 146 HG1 THR 20 HG1 THR 20 -4.959 8.072 -0.094 147 HG21 THR 20 HG21 THR 20 -5.181 6.758 -3.789 148 HG22 THR 20 HG22 THR 20 -5.504 8.357 -3.122 149 HG23 THR 20 HG23 THR 20 -6.719 7.085 -2.992 150 HA PRO 21 HA PRO 21 -3.271 3.441 1.771 151 HB2 PRO 21 HB2 PRO 21 -0.596 3.791 1.483 152 HB3 PRO 21 HB3 PRO 21 -1.492 2.528 0.630 153 HG2 PRO 21 HG2 PRO 21 -0.607 5.220 -0.364 154 HG3 PRO 21 HG3 PRO 21 -0.507 3.644 -1.173 155 HD2 PRO 21 HD2 PRO 21 -2.462 5.441 -1.724 156 HD3 PRO 21 HD3 PRO 21 -2.731 3.687 -1.809 157 H LYS 22 H LYS 22 -3.300 4.393 3.716 158 HA LYS 22 HA LYS 22 -2.382 7.166 4.019 159 HB2 LYS 22 HB2 LYS 22 -4.636 6.598 4.849 160 HB3 LYS 22 HB3 LYS 22 -3.939 5.394 5.924 161 HG2 LYS 22 HG2 LYS 22 -2.792 7.127 7.178 162 HG3 LYS 22 HG3 LYS 22 -3.380 8.358 6.058 163 HD2 LYS 22 HD2 LYS 22 -4.744 8.383 8.058 164 HD3 LYS 22 HD3 LYS 22 -5.707 7.789 6.706 165 HE2 LYS 22 HE2 LYS 22 -6.183 6.418 8.611 166 HE3 LYS 22 HE3 LYS 22 -5.234 5.457 7.479 167 HZ1 LYS 22 HZ1 LYS 22 -4.375 5.093 9.642 168 HZ2 LYS 22 HZ2 LYS 22 -4.290 6.749 9.974 169 HZ3 LYS 22 HZ3 LYS 22 -3.251 6.066 8.836 170 H TYR 23 H TYR 23 -0.431 7.582 4.875 171 HA TYR 23 HA TYR 23 1.179 5.414 5.920 172 HB2 TYR 23 HB2 TYR 23 2.246 7.000 4.434 173 HB3 TYR 23 HB3 TYR 23 1.782 8.347 5.467 174 HD1 TYR 23 HD1 TYR 23 3.755 5.165 5.604 175 HD2 TYR 23 HD2 TYR 23 3.355 9.175 6.986 176 HE1 TYR 23 HE1 TYR 23 5.893 4.960 6.804 177 HE2 TYR 23 HE2 TYR 23 5.491 8.980 8.190 178 HH TYR 23 HH TYR 23 6.904 7.110 9.165 179 H ASP 24 H ASP 24 1.530 4.949 8.010 180 HA ASP 24 HA ASP 24 0.648 6.871 10.056 181 HB2 ASP 24 HB2 ASP 24 -0.324 4.571 10.106 182 HB3 ASP 24 HB3 ASP 24 1.294 3.929 10.391 183 H GLU 25 H GLU 25 2.233 8.135 10.783 184 HA GLU 25 HA GLU 25 5.006 7.524 10.412 185 HB2 GLU 25 HB2 GLU 25 4.131 9.809 10.244 186 HB3 GLU 25 HB3 GLU 25 3.642 9.761 11.933 187 HG2 GLU 25 HG2 GLU 25 5.977 9.602 12.620 188 HG3 GLU 25 HG3 GLU 25 6.483 9.603 10.930 189 H GLU 26 H GLU 26 2.755 7.246 13.067 190 HA GLU 26 HA GLU 26 4.678 7.124 15.160 191 HB2 GLU 26 HB2 GLU 26 1.809 6.180 15.065 192 HB3 GLU 26 HB3 GLU 26 2.780 6.275 16.530 193 HG2 GLU 26 HG2 GLU 26 2.041 8.597 14.751 194 HG3 GLU 26 HG3 GLU 26 1.288 8.196 16.295 195 H SER 27 H SER 27 3.226 4.618 13.118 196 HA SER 27 HA SER 27 4.903 2.636 14.549 197 HB2 SER 27 HB2 SER 27 2.459 2.252 14.793 198 HB3 SER 27 HB3 SER 27 2.340 2.063 13.044 199 HG SER 27 HG SER 27 4.149 0.401 13.536 200 H GLY 28 H GLY 28 4.466 4.188 11.549 201 HA2 GLY 28 HA2 GLY 28 5.944 4.079 9.758 202 HA3 GLY 28 HA3 GLY 28 6.677 2.663 10.481 203 H PHE 29 H PHE 29 3.282 2.356 10.126 204 HA PHE 29 HA PHE 29 3.717 0.563 7.826 205 HB2 PHE 29 HB2 PHE 29 1.495 0.634 9.877 206 HB3 PHE 29 HB3 PHE 29 1.507 -0.434 8.480 207 HD1 PHE 29 HD1 PHE 29 3.436 -2.079 8.253 208 HD2 PHE 29 HD2 PHE 29 2.577 0.004 11.861 209 HE1 PHE 29 HE1 PHE 29 4.709 -3.759 9.522 210 HE2 PHE 29 HE2 PHE 29 3.852 -1.670 13.135 211 HZ PHE 29 HZ PHE 29 4.921 -3.555 11.965 212 H TYR 30 H TYR 30 2.278 0.524 6.054 213 HA TYR 30 HA TYR 30 0.701 2.975 5.610 214 HB2 TYR 30 HB2 TYR 30 1.774 0.864 3.726 215 HB3 TYR 30 HB3 TYR 30 0.597 2.067 3.217 216 HD1 TYR 30 HD1 TYR 30 4.027 1.709 4.638 217 HD2 TYR 30 HD2 TYR 30 1.304 4.191 2.501 218 HE1 TYR 30 HE1 TYR 30 5.851 3.278 4.127 219 HE2 TYR 30 HE2 TYR 30 3.127 5.761 1.990 220 HH TYR 30 HH TYR 30 5.345 6.386 2.918 221 H GLU 31 H GLU 31 -1.474 2.912 5.664 222 HA GLU 31 HA GLU 31 -2.835 0.315 5.871 223 HB2 GLU 31 HB2 GLU 31 -3.819 3.121 6.457 224 HB3 GLU 31 HB3 GLU 31 -4.746 1.648 6.718 225 HG2 GLU 31 HG2 GLU 31 -3.248 0.922 8.431 226 HG3 GLU 31 HG3 GLU 31 -2.116 2.226 8.073 227 H PHE 32 H PHE 32 -3.801 -0.497 4.084 228 HA PHE 32 HA PHE 32 -5.277 1.310 2.323 229 HB2 PHE 32 HB2 PHE 32 -4.278 0.376 0.274 230 HB3 PHE 32 HB3 PHE 32 -3.090 1.216 1.258 231 HD1 PHE 32 HD1 PHE 32 -1.526 -0.178 2.708 232 HD2 PHE 32 HD2 PHE 32 -3.942 -1.859 -0.379 233 HE1 PHE 32 HE1 PHE 32 -0.064 -2.157 2.639 234 HE2 PHE 32 HE2 PHE 32 -2.483 -3.839 -0.444 235 HZ PHE 32 HZ PHE 32 -0.544 -3.988 1.065 236 H LYS 33 H LYS 33 -6.996 0.370 1.216 237 HA LYS 33 HA LYS 33 -7.761 -2.288 2.210 238 HB2 LYS 33 HB2 LYS 33 -9.296 -0.337 2.504 239 HB3 LYS 33 HB3 LYS 33 -9.451 -0.243 0.757 240 HG2 LYS 33 HG2 LYS 33 -10.358 -2.555 0.767 241 HG3 LYS 33 HG3 LYS 33 -10.318 -2.520 2.528 242 HD2 LYS 33 HD2 LYS 33 -11.895 -0.632 0.765 243 HD3 LYS 33 HD3 LYS 33 -12.558 -2.015 1.633 244 HE2 LYS 33 HE2 LYS 33 -13.075 -0.129 2.953 245 HE3 LYS 33 HE3 LYS 33 -11.717 -0.906 3.761 246 HZ1 LYS 33 HZ1 LYS 33 -10.239 0.734 2.885 247 HZ2 LYS 33 HZ2 LYS 33 -11.536 1.538 3.602 248 HZ3 LYS 33 HZ3 LYS 33 -11.450 1.407 1.920 249 H GLN 34 H GLN 34 -7.240 -3.950 0.937 250 HA GLN 34 HA GLN 34 -6.489 -3.779 -1.766 251 HB2 GLN 34 HB2 GLN 34 -7.453 -6.194 -0.217 252 HB3 GLN 34 HB3 GLN 34 -6.594 -6.244 -1.750 253 HG2 GLN 34 HG2 GLN 34 -4.615 -5.321 -0.731 254 HG3 GLN 34 HG3 GLN 34 -5.468 -5.082 0.794 255 HE21 GLN 34 HE21 GLN 34 -5.960 -6.887 2.066 256 HE22 GLN 34 HE22 GLN 34 -5.165 -8.404 1.841 257 H LEU 35 H LEU 35 -7.557 -5.146 -3.537 258 HA LEU 35 HA LEU 35 -9.901 -3.922 -4.343 259 HB2 LEU 35 HB2 LEU 35 -8.807 -6.593 -5.227 260 HB3 LEU 35 HB3 LEU 35 -10.059 -5.701 -6.069 261 HG LEU 35 HG LEU 35 -7.203 -4.784 -5.668 262 HD11 LEU 35 HD11 LEU 35 -7.017 -5.075 -8.096 263 HD12 LEU 35 HD12 LEU 35 -8.654 -5.728 -8.144 264 HD13 LEU 35 HD13 LEU 35 -7.382 -6.597 -7.285 265 HD21 LEU 35 HD21 LEU 35 -9.470 -3.472 -7.180 266 HD22 LEU 35 HD22 LEU 35 -7.793 -2.922 -7.144 267 HD23 LEU 35 HD23 LEU 35 -8.761 -2.896 -5.671 268 H ASP 36 H ASP 36 -9.590 -7.096 -2.750 269 HA ASP 36 HA ASP 36 -12.389 -7.687 -2.991 270 HB2 ASP 36 HB2 ASP 36 -10.295 -8.991 -1.240 271 HB3 ASP 36 HB3 ASP 36 -11.898 -9.635 -1.584 272 H GLY 37 H GLY 37 -10.823 -5.522 -1.015 273 HA2 GLY 37 HA2 GLY 37 -12.136 -4.108 0.396 274 HA3 GLY 37 HA3 GLY 37 -13.157 -5.477 0.786 275 H LYS 38 H LYS 38 -10.096 -6.671 1.015 276 HA LYS 38 HA LYS 38 -10.154 -6.492 3.908 277 HB2 LYS 38 HB2 LYS 38 -8.253 -7.925 2.041 278 HB3 LYS 38 HB3 LYS 38 -8.186 -8.027 3.795 279 HG2 LYS 38 HG2 LYS 38 -10.418 -9.011 3.842 280 HG3 LYS 38 HG3 LYS 38 -10.519 -8.884 2.085 281 HD2 LYS 38 HD2 LYS 38 -9.944 -11.156 2.741 282 HD3 LYS 38 HD3 LYS 38 -8.604 -10.411 1.871 283 HE2 LYS 38 HE2 LYS 38 -7.457 -9.969 3.982 284 HE3 LYS 38 HE3 LYS 38 -8.818 -10.642 4.877 285 HZ1 LYS 38 HZ1 LYS 38 -8.398 -12.786 3.905 286 HZ2 LYS 38 HZ2 LYS 38 -6.979 -12.216 4.629 287 HZ3 LYS 38 HZ3 LYS 38 -7.151 -12.161 2.947 288 H GLN 39 H GLN 39 -9.504 -4.578 4.719 289 HA GLN 39 HA GLN 39 -7.335 -3.025 3.682 290 HB2 GLN 39 HB2 GLN 39 -9.180 -1.987 4.910 291 HB3 GLN 39 HB3 GLN 39 -8.760 -2.897 6.355 292 HG2 GLN 39 HG2 GLN 39 -6.576 -1.717 6.412 293 HG3 GLN 39 HG3 GLN 39 -7.099 -0.754 5.031 294 HE21 GLN 39 HE21 GLN 39 -6.962 1.171 6.192 295 HE22 GLN 39 HE22 GLN 39 -8.099 1.595 7.421 296 H THR 40 H THR 40 -5.225 -3.417 3.946 297 HA THR 40 HA THR 40 -4.322 -4.874 6.358 298 HB THR 40 HB THR 40 -4.182 -6.443 4.532 299 HG1 THR 40 HG1 THR 40 -1.802 -6.674 4.486 300 HG21 THR 40 HG21 THR 40 -4.184 -4.904 2.641 301 HG22 THR 40 HG22 THR 40 -2.804 -5.997 2.531 302 HG23 THR 40 HG23 THR 40 -2.572 -4.336 3.075 303 H ARG 41 H ARG 41 -1.941 -4.606 6.780 304 HA ARG 41 HA ARG 41 -1.020 -1.895 6.037 305 HB2 ARG 41 HB2 ARG 41 -0.830 -3.182 8.773 306 HB3 ARG 41 HB3 ARG 41 -0.119 -1.637 8.326 307 HG2 ARG 41 HG2 ARG 41 -2.325 -0.693 7.952 308 HG3 ARG 41 HG3 ARG 41 -3.074 -2.253 8.308 309 HD2 ARG 41 HD2 ARG 41 -1.450 -0.565 10.220 310 HD3 ARG 41 HD3 ARG 41 -3.199 -0.794 10.254 311 HE ARG 41 HE ARG 41 -2.602 -3.246 10.594 312 HH11 ARG 41 HH11 ARG 41 -0.710 -0.635 11.813 313 HH12 ARG 41 HH12 ARG 41 -0.003 -1.595 13.063 314 HH21 ARG 41 HH21 ARG 41 -1.686 -4.458 12.188 315 HH22 ARG 41 HH22 ARG 41 -0.540 -3.740 13.266 316 H ILE 42 H ILE 42 1.009 -1.810 5.262 317 HA ILE 42 HA ILE 42 2.836 -4.068 5.844 318 HB ILE 42 HB ILE 42 2.027 -4.077 3.488 319 HG12 ILE 42 HG12 ILE 42 4.983 -3.436 3.731 320 HG13 ILE 42 HG13 ILE 42 4.259 -4.991 4.133 321 HG21 ILE 42 HG21 ILE 42 1.736 -1.674 3.182 322 HG22 ILE 42 HG22 ILE 42 2.786 -2.343 1.932 323 HG23 ILE 42 HG23 ILE 42 3.483 -1.438 3.275 324 HD11 ILE 42 HD11 ILE 42 5.309 -5.011 1.938 325 HD12 ILE 42 HD12 ILE 42 4.242 -3.710 1.410 326 HD13 ILE 42 HD13 ILE 42 3.572 -5.289 1.828 327 H ASN 43 H ASN 43 5.110 -3.546 6.003 328 HA ASN 43 HA ASN 43 5.516 -1.170 7.499 329 HB2 ASN 43 HB2 ASN 43 6.713 -3.355 7.851 330 HB3 ASN 43 HB3 ASN 43 7.671 -2.995 6.416 331 HD21 ASN 43 HD21 ASN 43 9.591 -2.881 7.532 332 HD22 ASN 43 HD22 ASN 43 9.967 -1.608 8.636 333 H LYS 44 H LYS 44 7.077 0.510 7.134 334 HA LYS 44 HA LYS 44 6.554 1.824 4.701 335 HB2 LYS 44 HB2 LYS 44 7.901 3.638 5.568 336 HB3 LYS 44 HB3 LYS 44 6.898 2.980 6.853 337 HG2 LYS 44 HG2 LYS 44 8.843 1.698 7.681 338 HG3 LYS 44 HG3 LYS 44 9.839 2.444 6.428 339 HD2 LYS 44 HD2 LYS 44 8.401 3.874 8.672 340 HD3 LYS 44 HD3 LYS 44 10.139 3.593 8.556 341 HE2 LYS 44 HE2 LYS 44 8.492 5.249 6.638 342 HE3 LYS 44 HE3 LYS 44 9.521 5.887 7.917 343 HZ1 LYS 44 HZ1 LYS 44 10.591 5.944 5.740 344 HZ2 LYS 44 HZ2 LYS 44 10.479 4.259 5.623 345 HZ3 LYS 44 HZ3 LYS 44 11.439 4.963 6.822 346 H ASP 45 H ASP 45 9.154 -0.306 5.502 347 HA ASP 45 HA ASP 45 11.055 0.912 3.706 348 HB2 ASP 45 HB2 ASP 45 12.495 -1.010 4.266 349 HB3 ASP 45 HB3 ASP 45 11.878 -0.195 5.696 350 H GLN 46 H GLN 46 8.599 -1.506 3.435 351 HA GLN 46 HA GLN 46 9.751 -2.892 1.199 352 HB2 GLN 46 HB2 GLN 46 6.893 -2.943 2.181 353 HB3 GLN 46 HB3 GLN 46 7.645 -4.106 1.097 354 HG2 GLN 46 HG2 GLN 46 8.336 -3.626 3.985 355 HG3 GLN 46 HG3 GLN 46 7.500 -5.025 3.318 356 HE21 GLN 46 HE21 GLN 46 10.036 -4.738 4.824 357 HE22 GLN 46 HE22 GLN 46 11.223 -5.547 3.866 358 H VAL 47 H VAL 47 7.790 -0.038 1.472 359 HA VAL 47 HA VAL 47 6.606 -0.231 -1.126 360 HB VAL 47 HB VAL 47 5.521 1.107 0.592 361 HG11 VAL 47 HG11 VAL 47 7.460 1.945 1.782 362 HG12 VAL 47 HG12 VAL 47 6.422 3.282 1.291 363 HG13 VAL 47 HG13 VAL 47 7.906 2.943 0.400 364 HG21 VAL 47 HG21 VAL 47 6.440 2.804 -1.737 365 HG22 VAL 47 HG22 VAL 47 5.018 3.104 -0.736 366 HG23 VAL 47 HG23 VAL 47 5.094 1.664 -1.752 367 H ARG 48 H ARG 48 7.690 -0.136 -2.954 368 HA ARG 48 HA ARG 48 10.201 1.271 -3.247 369 HB2 ARG 48 HB2 ARG 48 9.715 -0.896 -4.394 370 HB3 ARG 48 HB3 ARG 48 8.486 -0.084 -5.350 371 HG2 ARG 48 HG2 ARG 48 10.415 -0.278 -6.711 372 HG3 ARG 48 HG3 ARG 48 10.299 1.418 -6.236 373 HD2 ARG 48 HD2 ARG 48 11.988 1.059 -4.506 374 HD3 ARG 48 HD3 ARG 48 12.074 -0.653 -4.929 375 HE ARG 48 HE ARG 48 12.703 1.342 -6.978 376 HH11 ARG 48 HH11 ARG 48 13.793 -1.146 -4.841 377 HH12 ARG 48 HH12 ARG 48 15.307 -1.321 -5.659 378 HH21 ARG 48 HH21 ARG 48 14.634 1.108 -8.003 379 HH22 ARG 48 HH22 ARG 48 15.793 -0.036 -7.411 380 H THR 49 H THR 49 7.125 1.438 -5.056 381 HA THR 49 HA THR 49 7.185 4.364 -5.013 382 HB THR 49 HB THR 49 6.711 4.510 -7.459 383 HG1 THR 49 HG1 THR 49 7.837 2.180 -8.216 384 HG21 THR 49 HG21 THR 49 8.981 4.963 -6.651 385 HG22 THR 49 HG22 THR 49 9.014 4.196 -8.240 386 HG23 THR 49 HG23 THR 49 9.381 3.250 -6.797 387 H VAL 50 H VAL 50 5.138 5.315 -5.255 388 HA VAL 50 HA VAL 50 2.858 3.445 -5.198 389 HB VAL 50 HB VAL 50 2.976 6.334 -4.287 390 HG11 VAL 50 HG11 VAL 50 0.780 4.277 -3.989 391 HG12 VAL 50 HG12 VAL 50 0.742 5.698 -5.033 392 HG13 VAL 50 HG13 VAL 50 0.778 5.892 -3.280 393 HG21 VAL 50 HG21 VAL 50 4.315 4.891 -2.843 394 HG22 VAL 50 HG22 VAL 50 2.957 3.780 -2.662 395 HG23 VAL 50 HG23 VAL 50 2.855 5.412 -2.004 396 H LYS 51 H LYS 51 1.594 3.317 -6.959 397 HA LYS 51 HA LYS 51 1.633 5.566 -8.884 398 HB2 LYS 51 HB2 LYS 51 1.371 2.615 -9.512 399 HB3 LYS 51 HB3 LYS 51 1.371 3.926 -10.686 400 HG2 LYS 51 HG2 LYS 51 3.682 4.481 -10.026 401 HG3 LYS 51 HG3 LYS 51 3.671 3.110 -8.912 402 HD2 LYS 51 HD2 LYS 51 3.212 1.609 -10.848 403 HD3 LYS 51 HD3 LYS 51 3.366 3.002 -11.921 404 HE2 LYS 51 HE2 LYS 51 5.442 1.791 -11.917 405 HE3 LYS 51 HE3 LYS 51 5.684 3.323 -11.082 406 HZ1 LYS 51 HZ1 LYS 51 5.615 2.220 -8.989 407 HZ2 LYS 51 HZ2 LYS 51 6.695 1.374 -9.969 408 HZ3 LYS 51 HZ3 LYS 51 5.149 0.755 -9.692 409 H ASP 52 H ASP 52 -0.269 5.988 -10.070 410 HA ASP 52 HA ASP 52 -2.736 5.282 -8.666 411 HB2 ASP 52 HB2 ASP 52 -2.211 7.274 -10.891 412 HB3 ASP 52 HB3 ASP 52 -3.745 7.074 -10.049 413 H LEU 53 H LEU 53 -4.411 4.097 -9.558 414 HA LEU 53 HA LEU 53 -3.861 2.543 -11.925 415 HB2 LEU 53 HB2 LEU 53 -6.263 2.684 -10.107 416 HB3 LEU 53 HB3 LEU 53 -6.195 1.640 -11.515 417 HG LEU 53 HG LEU 53 -4.336 1.490 -9.130 418 HD11 LEU 53 HD11 LEU 53 -6.577 -0.350 -9.978 419 HD12 LEU 53 HD12 LEU 53 -6.592 0.733 -8.586 420 HD13 LEU 53 HD13 LEU 53 -5.465 -0.622 -8.637 421 HD21 LEU 53 HD21 LEU 53 -3.522 -0.583 -10.165 422 HD22 LEU 53 HD22 LEU 53 -3.216 0.818 -11.191 423 HD23 LEU 53 HD23 LEU 53 -4.542 -0.280 -11.572 424 H LEU 54 H LEU 54 -5.580 5.472 -11.233 425 HA LEU 54 HA LEU 54 -6.566 5.534 -14.016 426 HB2 LEU 54 HB2 LEU 54 -7.481 7.138 -11.622 427 HB3 LEU 54 HB3 LEU 54 -8.069 7.369 -13.259 428 HG LEU 54 HG LEU 54 -8.446 4.894 -11.558 429 HD11 LEU 54 HD11 LEU 54 -10.418 6.979 -12.502 430 HD12 LEU 54 HD12 LEU 54 -9.836 6.763 -10.850 431 HD13 LEU 54 HD13 LEU 54 -10.815 5.509 -11.609 432 HD21 LEU 54 HD21 LEU 54 -8.192 4.289 -13.907 433 HD22 LEU 54 HD22 LEU 54 -9.415 5.476 -14.361 434 HD23 LEU 54 HD23 LEU 54 -9.861 4.076 -13.384 435 H GLU 55 H GLU 55 -4.490 6.125 -14.825 436 HA GLU 55 HA GLU 55 -3.480 8.786 -14.107 437 HB2 GLU 55 HB2 GLU 55 -2.352 6.520 -15.748 438 HB3 GLU 55 HB3 GLU 55 -1.635 8.123 -15.784 439 HG2 GLU 55 HG2 GLU 55 -2.044 6.620 -13.211 440 HG3 GLU 55 HG3 GLU 55 -0.608 6.406 -14.210 Start of MODEL 7 1 H1 MET 1 H1 MET 1 -13.982 9.544 0.949 2 H2 MET 1 H2 MET 1 -14.959 8.334 0.282 3 H3 MET 1 H3 MET 1 -15.460 9.947 0.234 4 HA MET 1 HA MET 1 -14.643 9.191 -1.920 5 HB2 MET 1 HB2 MET 1 -14.468 11.567 -1.203 6 HB3 MET 1 HB3 MET 1 -12.859 11.245 -0.582 7 HG2 MET 1 HG2 MET 1 -12.064 10.756 -2.821 8 HG3 MET 1 HG3 MET 1 -13.689 10.995 -3.466 9 HE1 MET 1 HE1 MET 1 -11.816 14.134 -4.840 10 HE2 MET 1 HE2 MET 1 -12.781 12.714 -5.238 11 HE3 MET 1 HE3 MET 1 -11.136 12.519 -4.634 12 H ALA 2 H ALA 2 -13.033 8.196 -3.159 13 HA ALA 2 HA ALA 2 -10.493 7.502 -1.921 14 HB1 ALA 2 HB1 ALA 2 -10.756 5.106 -2.169 15 HB2 ALA 2 HB2 ALA 2 -12.391 5.325 -2.796 16 HB3 ALA 2 HB3 ALA 2 -12.025 5.748 -1.125 17 H SER 3 H SER 3 -8.903 6.822 -3.365 18 HA SER 3 HA SER 3 -9.614 6.820 -6.240 19 HB2 SER 3 HB2 SER 3 -7.072 7.896 -4.965 20 HB3 SER 3 HB3 SER 3 -7.352 7.764 -6.699 21 HG SER 3 HG SER 3 -8.159 9.691 -6.504 22 HA PRO 4 HA PRO 4 -7.840 2.724 -6.118 23 HB2 PRO 4 HB2 PRO 4 -7.484 2.305 -8.782 24 HB3 PRO 4 HB3 PRO 4 -9.077 2.271 -8.016 25 HG2 PRO 4 HG2 PRO 4 -7.753 4.493 -9.537 26 HG3 PRO 4 HG3 PRO 4 -9.424 3.906 -9.649 27 HD2 PRO 4 HD2 PRO 4 -8.758 6.123 -8.238 28 HD3 PRO 4 HD3 PRO 4 -10.087 5.051 -7.751 29 H THR 5 H THR 5 -5.803 2.452 -5.378 30 HA THR 5 HA THR 5 -3.560 3.624 -6.916 31 HB THR 5 HB THR 5 -3.775 3.362 -3.904 32 HG1 THR 5 HG1 THR 5 -3.707 5.669 -5.596 33 HG21 THR 5 HG21 THR 5 -1.473 2.988 -4.641 34 HG22 THR 5 HG22 THR 5 -1.617 4.546 -3.830 35 HG23 THR 5 HG23 THR 5 -1.520 4.474 -5.590 36 H VAL 6 H VAL 6 -1.873 2.320 -7.410 37 HA VAL 6 HA VAL 6 -1.855 -0.411 -6.299 38 HB VAL 6 HB VAL 6 -2.117 -0.407 -8.713 39 HG11 VAL 6 HG11 VAL 6 0.491 1.115 -8.838 40 HG12 VAL 6 HG12 VAL 6 -1.105 1.754 -9.234 41 HG13 VAL 6 HG13 VAL 6 -0.400 0.473 -10.220 42 HG21 VAL 6 HG21 VAL 6 -0.220 -1.847 -9.326 43 HG22 VAL 6 HG22 VAL 6 -0.841 -2.231 -7.721 44 HG23 VAL 6 HG23 VAL 6 0.651 -1.306 -7.891 45 H ILE 7 H ILE 7 -0.362 -0.811 -4.816 46 HA ILE 7 HA ILE 7 1.954 0.938 -4.525 47 HB ILE 7 HB ILE 7 1.088 -1.378 -2.772 48 HG12 ILE 7 HG12 ILE 7 0.585 1.593 -2.417 49 HG13 ILE 7 HG13 ILE 7 -0.629 0.401 -2.872 50 HG21 ILE 7 HG21 ILE 7 3.455 -0.808 -2.528 51 HG22 ILE 7 HG22 ILE 7 2.547 -0.368 -1.082 52 HG23 ILE 7 HG23 ILE 7 3.029 0.879 -2.232 53 HD11 ILE 7 HD11 ILE 7 -0.335 -0.714 -0.714 54 HD12 ILE 7 HD12 ILE 7 -0.799 0.976 -0.523 55 HD13 ILE 7 HD13 ILE 7 0.875 0.488 -0.261 56 H THR 8 H THR 8 3.607 0.430 -5.876 57 HA THR 8 HA THR 8 4.325 -2.330 -6.436 58 HB THR 8 HB THR 8 5.836 0.205 -7.151 59 HG1 THR 8 HG1 THR 8 3.604 -1.013 -8.246 60 HG21 THR 8 HG21 THR 8 7.214 -1.843 -7.221 61 HG22 THR 8 HG22 THR 8 6.947 -1.172 -8.831 62 HG23 THR 8 HG23 THR 8 6.034 -2.586 -8.302 63 H LEU 9 H LEU 9 5.684 -3.521 -5.238 64 HA LEU 9 HA LEU 9 7.077 -2.238 -3.004 65 HB2 LEU 9 HB2 LEU 9 6.592 -5.173 -3.535 66 HB3 LEU 9 HB3 LEU 9 7.253 -4.486 -2.063 67 HG LEU 9 HG LEU 9 4.439 -4.122 -3.106 68 HD11 LEU 9 HD11 LEU 9 4.832 -6.316 -2.139 69 HD12 LEU 9 HD12 LEU 9 3.794 -5.351 -1.091 70 HD13 LEU 9 HD13 LEU 9 5.495 -5.574 -0.681 71 HD21 LEU 9 HD21 LEU 9 5.731 -2.978 -0.625 72 HD22 LEU 9 HD22 LEU 9 4.015 -2.887 -1.028 73 HD23 LEU 9 HD23 LEU 9 5.204 -2.069 -2.043 74 H ASN 10 H ASN 10 9.224 -3.022 -2.376 75 HA ASN 10 HA ASN 10 11.160 -2.742 -4.342 76 HB2 ASN 10 HB2 ASN 10 11.755 -2.394 -2.055 77 HB3 ASN 10 HB3 ASN 10 11.291 -4.032 -1.610 78 HD21 ASN 10 HD21 ASN 10 12.683 -5.728 -2.067 79 HD22 ASN 10 HD22 ASN 10 14.323 -5.478 -2.539 80 H ASP 11 H ASP 11 9.873 -5.765 -2.967 81 HA ASP 11 HA ASP 11 11.591 -7.440 -4.526 82 HB2 ASP 11 HB2 ASP 11 9.166 -8.024 -2.830 83 HB3 ASP 11 HB3 ASP 11 10.078 -9.278 -3.666 84 H GLY 12 H GLY 12 9.161 -5.586 -5.634 85 HA2 GLY 12 HA2 GLY 12 8.644 -5.629 -7.956 86 HA3 GLY 12 HA3 GLY 12 8.821 -7.373 -7.946 87 H ARG 13 H ARG 13 7.058 -7.342 -5.399 88 HA ARG 13 HA ARG 13 4.641 -8.003 -6.694 89 HB2 ARG 13 HB2 ARG 13 5.206 -8.967 -4.530 90 HB3 ARG 13 HB3 ARG 13 5.162 -7.377 -3.775 91 HG2 ARG 13 HG2 ARG 13 2.755 -7.215 -4.311 92 HG3 ARG 13 HG3 ARG 13 2.819 -8.841 -4.989 93 HD2 ARG 13 HD2 ARG 13 3.402 -9.756 -2.817 94 HD3 ARG 13 HD3 ARG 13 3.467 -8.134 -2.122 95 HE ARG 13 HE ARG 13 0.944 -8.384 -3.189 96 HH11 ARG 13 HH11 ARG 13 2.779 -10.083 -0.808 97 HH12 ARG 13 HH12 ARG 13 1.376 -10.520 0.101 98 HH21 ARG 13 HH21 ARG 13 -0.831 -8.952 -2.025 99 HH22 ARG 13 HH22 ARG 13 -0.653 -9.885 -0.579 100 H GLU 14 H GLU 14 2.827 -6.862 -7.177 101 HA GLU 14 HA GLU 14 2.693 -4.036 -6.310 102 HB2 GLU 14 HB2 GLU 14 1.340 -5.382 -8.662 103 HB3 GLU 14 HB3 GLU 14 1.186 -3.686 -8.229 104 HG2 GLU 14 HG2 GLU 14 3.583 -3.369 -8.641 105 HG3 GLU 14 HG3 GLU 14 3.719 -5.068 -9.098 106 H ILE 15 H ILE 15 1.082 -3.455 -4.955 107 HA ILE 15 HA ILE 15 -1.142 -5.362 -4.553 108 HB ILE 15 HB ILE 15 -0.160 -3.301 -2.564 109 HG12 ILE 15 HG12 ILE 15 0.426 -6.282 -2.685 110 HG13 ILE 15 HG13 ILE 15 1.591 -4.993 -2.966 111 HG21 ILE 15 HG21 ILE 15 -2.075 -5.628 -2.328 112 HG22 ILE 15 HG22 ILE 15 -2.473 -3.911 -2.232 113 HG23 ILE 15 HG23 ILE 15 -1.494 -4.664 -0.972 114 HD11 ILE 15 HD11 ILE 15 0.174 -5.564 -0.370 115 HD12 ILE 15 HD12 ILE 15 1.327 -4.259 -0.647 116 HD13 ILE 15 HD13 ILE 15 1.855 -5.939 -0.753 117 H GLN 16 H GLN 16 -2.965 -4.707 -5.475 118 HA GLN 16 HA GLN 16 -3.384 -1.870 -6.058 119 HB2 GLN 16 HB2 GLN 16 -4.890 -4.331 -6.973 120 HB3 GLN 16 HB3 GLN 16 -5.192 -2.691 -7.531 121 HG2 GLN 16 HG2 GLN 16 -3.032 -2.574 -8.569 122 HG3 GLN 16 HG3 GLN 16 -2.559 -4.120 -7.864 123 HE21 GLN 16 HE21 GLN 16 -4.491 -2.553 -10.285 124 HE22 GLN 16 HE22 GLN 16 -4.837 -3.965 -11.211 125 H ALA 17 H ALA 17 -4.562 -0.656 -4.730 126 HA ALA 17 HA ALA 17 -6.568 -1.937 -2.987 127 HB1 ALA 17 HB1 ALA 17 -6.182 -0.158 -1.392 128 HB2 ALA 17 HB2 ALA 17 -5.067 0.638 -2.507 129 HB3 ALA 17 HB3 ALA 17 -4.653 -0.929 -1.812 130 H VAL 18 H VAL 18 -8.461 -0.662 -2.424 131 HA VAL 18 HA VAL 18 -9.589 0.728 -4.707 132 HB VAL 18 HB VAL 18 -11.692 0.734 -3.429 133 HG11 VAL 18 HG11 VAL 18 -10.304 -1.951 -3.419 134 HG12 VAL 18 HG12 VAL 18 -11.162 -1.226 -4.779 135 HG13 VAL 18 HG13 VAL 18 -12.047 -1.696 -3.328 136 HG21 VAL 18 HG21 VAL 18 -10.783 1.033 -1.175 137 HG22 VAL 18 HG22 VAL 18 -10.093 -0.589 -1.228 138 HG23 VAL 18 HG23 VAL 18 -11.844 -0.373 -1.242 139 H ASP 19 H ASP 19 -7.997 1.600 -1.824 140 HA ASP 19 HA ASP 19 -8.747 4.414 -2.237 141 HB2 ASP 19 HB2 ASP 19 -8.747 4.784 0.197 142 HB3 ASP 19 HB3 ASP 19 -9.970 3.611 -0.274 143 H THR 20 H THR 20 -7.152 5.944 -1.256 144 HA THR 20 HA THR 20 -4.468 5.135 -1.947 145 HB THR 20 HB THR 20 -3.829 7.476 -1.404 146 HG1 THR 20 HG1 THR 20 -5.271 8.889 -0.591 147 HG21 THR 20 HG21 THR 20 -4.608 6.933 -3.662 148 HG22 THR 20 HG22 THR 20 -5.098 8.562 -3.197 149 HG23 THR 20 HG23 THR 20 -6.273 7.248 -3.171 150 HA PRO 21 HA PRO 21 -3.569 3.456 2.075 151 HB2 PRO 21 HB2 PRO 21 -0.786 3.638 1.816 152 HB3 PRO 21 HB3 PRO 21 -1.789 2.290 1.274 153 HG2 PRO 21 HG2 PRO 21 -0.736 4.617 -0.290 154 HG3 PRO 21 HG3 PRO 21 -0.865 2.911 -0.764 155 HD2 PRO 21 HD2 PRO 21 -2.623 4.693 -1.667 156 HD3 PRO 21 HD3 PRO 21 -3.163 3.073 -1.172 157 H LYS 22 H LYS 22 -3.755 4.528 3.936 158 HA LYS 22 HA LYS 22 -2.631 7.199 4.262 159 HB2 LYS 22 HB2 LYS 22 -4.926 6.682 5.045 160 HB3 LYS 22 HB3 LYS 22 -4.264 5.525 6.193 161 HG2 LYS 22 HG2 LYS 22 -3.114 7.308 7.375 162 HG3 LYS 22 HG3 LYS 22 -3.669 8.484 6.183 163 HD2 LYS 22 HD2 LYS 22 -5.143 8.758 7.985 164 HD3 LYS 22 HD3 LYS 22 -6.042 7.769 6.840 165 HE2 LYS 22 HE2 LYS 22 -4.553 6.733 9.257 166 HE3 LYS 22 HE3 LYS 22 -6.291 6.996 9.167 167 HZ1 LYS 22 HZ1 LYS 22 -5.881 4.711 8.809 168 HZ2 LYS 22 HZ2 LYS 22 -4.693 5.018 7.650 169 HZ3 LYS 22 HZ3 LYS 22 -6.312 5.354 7.306 170 H TYR 23 H TYR 23 -0.720 7.599 5.193 171 HA TYR 23 HA TYR 23 0.799 5.380 6.324 172 HB2 TYR 23 HB2 TYR 23 1.906 6.708 4.637 173 HB3 TYR 23 HB3 TYR 23 1.579 8.193 5.520 174 HD1 TYR 23 HD1 TYR 23 3.316 4.904 6.024 175 HD2 TYR 23 HD2 TYR 23 3.302 9.093 6.787 176 HE1 TYR 23 HE1 TYR 23 5.494 4.702 7.143 177 HE2 TYR 23 HE2 TYR 23 5.481 8.898 7.907 178 HH TYR 23 HH TYR 23 6.835 7.193 9.032 179 H ASP 24 H ASP 24 1.200 5.103 8.439 180 HA ASP 24 HA ASP 24 0.597 7.286 10.315 181 HB2 ASP 24 HB2 ASP 24 -0.389 5.036 10.750 182 HB3 ASP 24 HB3 ASP 24 1.239 4.384 10.919 183 H GLU 25 H GLU 25 2.221 8.535 10.953 184 HA GLU 25 HA GLU 25 4.905 8.106 10.181 185 HB2 GLU 25 HB2 GLU 25 3.894 10.331 10.459 186 HB3 GLU 25 HB3 GLU 25 3.763 10.060 12.191 187 HG2 GLU 25 HG2 GLU 25 6.244 9.874 12.289 188 HG3 GLU 25 HG3 GLU 25 6.300 10.314 10.581 189 H GLU 26 H GLU 26 3.195 7.441 13.172 190 HA GLU 26 HA GLU 26 5.515 7.183 14.826 191 HB2 GLU 26 HB2 GLU 26 2.746 6.043 15.274 192 HB3 GLU 26 HB3 GLU 26 3.989 6.280 16.496 193 HG2 GLU 26 HG2 GLU 26 3.844 8.695 16.204 194 HG3 GLU 26 HG3 GLU 26 2.635 8.479 14.939 195 H SER 27 H SER 27 3.368 4.778 13.288 196 HA SER 27 HA SER 27 5.057 2.589 14.220 197 HB2 SER 27 HB2 SER 27 3.322 1.117 13.314 198 HB3 SER 27 HB3 SER 27 2.598 2.365 14.328 199 HG SER 27 HG SER 27 1.619 3.182 12.647 200 H GLY 28 H GLY 28 4.432 4.321 11.247 201 HA2 GLY 28 HA2 GLY 28 5.803 4.340 9.353 202 HA3 GLY 28 HA3 GLY 28 6.655 2.936 9.974 203 H PHE 29 H PHE 29 3.283 2.512 10.016 204 HA PHE 29 HA PHE 29 3.481 0.742 7.679 205 HB2 PHE 29 HB2 PHE 29 1.537 0.811 9.992 206 HB3 PHE 29 HB3 PHE 29 1.346 -0.251 8.601 207 HD1 PHE 29 HD1 PHE 29 3.086 -1.985 8.135 208 HD2 PHE 29 HD2 PHE 29 3.029 0.255 11.756 209 HE1 PHE 29 HE1 PHE 29 4.544 -3.662 9.193 210 HE2 PHE 29 HE2 PHE 29 4.482 -1.418 12.819 211 HZ PHE 29 HZ PHE 29 5.245 -3.378 11.538 212 H TYR 30 H TYR 30 1.989 0.728 6.022 213 HA TYR 30 HA TYR 30 0.297 3.118 5.717 214 HB2 TYR 30 HB2 TYR 30 1.335 1.097 3.711 215 HB3 TYR 30 HB3 TYR 30 0.137 2.319 3.305 216 HD1 TYR 30 HD1 TYR 30 3.652 1.816 4.385 217 HD2 TYR 30 HD2 TYR 30 0.783 4.568 2.844 218 HE1 TYR 30 HE1 TYR 30 5.453 3.413 3.881 219 HE2 TYR 30 HE2 TYR 30 2.583 6.163 2.339 220 HH TYR 30 HH TYR 30 4.857 6.665 3.072 221 H GLU 31 H GLU 31 -1.866 2.963 5.861 222 HA GLU 31 HA GLU 31 -3.114 0.305 6.013 223 HB2 GLU 31 HB2 GLU 31 -4.234 3.021 6.751 224 HB3 GLU 31 HB3 GLU 31 -5.031 1.474 7.009 225 HG2 GLU 31 HG2 GLU 31 -3.244 0.809 8.546 226 HG3 GLU 31 HG3 GLU 31 -2.448 2.363 8.292 227 H PHE 32 H PHE 32 -4.283 -0.459 4.362 228 HA PHE 32 HA PHE 32 -5.834 1.275 2.631 229 HB2 PHE 32 HB2 PHE 32 -4.731 0.475 0.545 230 HB3 PHE 32 HB3 PHE 32 -3.659 1.446 1.550 231 HD1 PHE 32 HD1 PHE 32 -1.909 0.319 2.930 232 HD2 PHE 32 HD2 PHE 32 -4.213 -1.785 0.032 233 HE1 PHE 32 HE1 PHE 32 -0.268 -1.510 2.957 234 HE2 PHE 32 HE2 PHE 32 -2.572 -3.612 0.059 235 HZ PHE 32 HZ PHE 32 -0.595 -3.478 1.519 236 H LYS 33 H LYS 33 -7.364 0.138 1.342 237 HA LYS 33 HA LYS 33 -7.759 -2.683 2.128 238 HB2 LYS 33 HB2 LYS 33 -9.570 -1.104 2.716 239 HB3 LYS 33 HB3 LYS 33 -9.745 -0.680 1.019 240 HG2 LYS 33 HG2 LYS 33 -10.359 -3.042 0.542 241 HG3 LYS 33 HG3 LYS 33 -10.300 -3.368 2.276 242 HD2 LYS 33 HD2 LYS 33 -12.139 -1.406 0.884 243 HD3 LYS 33 HD3 LYS 33 -12.597 -2.976 1.549 244 HE2 LYS 33 HE2 LYS 33 -12.011 -2.200 3.797 245 HE3 LYS 33 HE3 LYS 33 -11.526 -0.636 3.142 246 HZ1 LYS 33 HZ1 LYS 33 -14.263 -1.791 3.108 247 HZ2 LYS 33 HZ2 LYS 33 -13.823 -0.338 2.364 248 HZ3 LYS 33 HZ3 LYS 33 -13.728 -0.487 4.042 249 H GLN 34 H GLN 34 -7.128 -4.128 0.621 250 HA GLN 34 HA GLN 34 -6.485 -3.521 -2.047 251 HB2 GLN 34 HB2 GLN 34 -7.172 -6.186 -0.790 252 HB3 GLN 34 HB3 GLN 34 -6.467 -5.993 -2.390 253 HG2 GLN 34 HG2 GLN 34 -4.483 -4.965 -1.399 254 HG3 GLN 34 HG3 GLN 34 -5.191 -5.137 0.207 255 HE21 GLN 34 HE21 GLN 34 -5.333 -7.189 1.126 256 HE22 GLN 34 HE22 GLN 34 -4.424 -8.529 0.527 257 H LEU 35 H LEU 35 -7.486 -4.307 -4.035 258 HA LEU 35 HA LEU 35 -10.120 -3.567 -4.440 259 HB2 LEU 35 HB2 LEU 35 -8.539 -5.617 -6.006 260 HB3 LEU 35 HB3 LEU 35 -10.016 -4.848 -6.560 261 HG LEU 35 HG LEU 35 -7.381 -3.453 -6.035 262 HD11 LEU 35 HD11 LEU 35 -8.822 -4.056 -8.622 263 HD12 LEU 35 HD12 LEU 35 -7.346 -4.832 -8.048 264 HD13 LEU 35 HD13 LEU 35 -7.336 -3.118 -8.458 265 HD21 LEU 35 HD21 LEU 35 -8.464 -1.476 -7.000 266 HD22 LEU 35 HD22 LEU 35 -9.260 -1.995 -5.514 267 HD23 LEU 35 HD23 LEU 35 -9.994 -2.353 -7.077 268 H ASP 36 H ASP 36 -8.881 -6.652 -3.376 269 HA ASP 36 HA ASP 36 -11.252 -8.183 -3.794 270 HB2 ASP 36 HB2 ASP 36 -9.050 -8.782 -1.811 271 HB3 ASP 36 HB3 ASP 36 -10.105 -9.928 -2.636 272 H GLY 37 H GLY 37 -10.948 -5.636 -1.801 273 HA2 GLY 37 HA2 GLY 37 -12.280 -4.886 -0.071 274 HA3 GLY 37 HA3 GLY 37 -13.120 -6.428 -0.096 275 H LYS 38 H LYS 38 -9.671 -6.360 0.248 276 HA LYS 38 HA LYS 38 -9.947 -7.149 3.084 277 HB2 LYS 38 HB2 LYS 38 -7.891 -8.081 1.065 278 HB3 LYS 38 HB3 LYS 38 -7.972 -8.583 2.750 279 HG2 LYS 38 HG2 LYS 38 -10.121 -9.650 2.357 280 HG3 LYS 38 HG3 LYS 38 -10.115 -9.089 0.685 281 HD2 LYS 38 HD2 LYS 38 -9.441 -11.416 0.765 282 HD3 LYS 38 HD3 LYS 38 -8.071 -10.420 0.271 283 HE2 LYS 38 HE2 LYS 38 -7.165 -10.519 2.540 284 HE3 LYS 38 HE3 LYS 38 -8.554 -11.473 3.063 285 HZ1 LYS 38 HZ1 LYS 38 -7.875 -13.218 1.527 286 HZ2 LYS 38 HZ2 LYS 38 -6.638 -12.871 2.626 287 HZ3 LYS 38 HZ3 LYS 38 -6.542 -12.303 1.039 288 H GLN 39 H GLN 39 -9.206 -5.573 4.380 289 HA GLN 39 HA GLN 39 -7.176 -3.700 3.461 290 HB2 GLN 39 HB2 GLN 39 -9.190 -2.946 4.745 291 HB3 GLN 39 HB3 GLN 39 -8.566 -3.804 6.151 292 HG2 GLN 39 HG2 GLN 39 -6.507 -2.376 5.997 293 HG3 GLN 39 HG3 GLN 39 -7.323 -1.442 4.745 294 HE21 GLN 39 HE21 GLN 39 -7.361 0.450 5.914 295 HE22 GLN 39 HE22 GLN 39 -8.330 0.661 7.328 296 H THR 40 H THR 40 -5.097 -3.552 4.190 297 HA THR 40 HA THR 40 -4.236 -5.114 6.506 298 HB THR 40 HB THR 40 -3.859 -6.706 4.711 299 HG1 THR 40 HG1 THR 40 -1.423 -6.705 4.880 300 HG21 THR 40 HG21 THR 40 -3.753 -5.145 2.820 301 HG22 THR 40 HG22 THR 40 -2.349 -6.212 2.838 302 HG23 THR 40 HG23 THR 40 -2.195 -4.546 3.392 303 H ARG 41 H ARG 41 -1.952 -4.621 7.133 304 HA ARG 41 HA ARG 41 -1.191 -1.870 6.345 305 HB2 ARG 41 HB2 ARG 41 -0.788 -3.276 9.001 306 HB3 ARG 41 HB3 ARG 41 -0.101 -1.708 8.598 307 HG2 ARG 41 HG2 ARG 41 -2.352 -0.779 8.343 308 HG3 ARG 41 HG3 ARG 41 -3.049 -2.350 8.740 309 HD2 ARG 41 HD2 ARG 41 -2.020 -2.254 10.959 310 HD3 ARG 41 HD3 ARG 41 -1.285 -0.701 10.561 311 HE ARG 41 HE ARG 41 -3.798 -0.057 10.218 312 HH11 ARG 41 HH11 ARG 41 -2.454 -1.994 12.730 313 HH12 ARG 41 HH12 ARG 41 -3.703 -1.591 13.852 314 HH21 ARG 41 HH21 ARG 41 -5.370 0.471 11.665 315 HH22 ARG 41 HH22 ARG 41 -5.345 -0.218 13.256 316 H ILE 42 H ILE 42 0.718 -1.645 5.345 317 HA ILE 42 HA ILE 42 2.719 -3.815 5.607 318 HB ILE 42 HB ILE 42 1.650 -3.559 3.334 319 HG12 ILE 42 HG12 ILE 42 4.639 -3.042 3.427 320 HG13 ILE 42 HG13 ILE 42 3.885 -4.613 3.687 321 HG21 ILE 42 HG21 ILE 42 1.458 -1.112 3.335 322 HG22 ILE 42 HG22 ILE 42 2.334 -1.691 1.918 323 HG23 ILE 42 HG23 ILE 42 3.216 -0.975 3.268 324 HD11 ILE 42 HD11 ILE 42 4.770 -4.415 1.443 325 HD12 ILE 42 HD12 ILE 42 3.768 -2.994 1.150 326 HD13 ILE 42 HD13 ILE 42 3.015 -4.569 1.410 327 H ASN 43 H ASN 43 4.965 -3.206 5.652 328 HA ASN 43 HA ASN 43 5.352 -0.772 7.148 329 HB2 ASN 43 HB2 ASN 43 6.466 -2.914 7.753 330 HB3 ASN 43 HB3 ASN 43 7.435 -2.793 6.287 331 HD21 ASN 43 HD21 ASN 43 9.355 -2.690 7.446 332 HD22 ASN 43 HD22 ASN 43 9.817 -1.290 8.346 333 H LYS 44 H LYS 44 6.781 0.911 6.696 334 HA LYS 44 HA LYS 44 6.570 1.953 4.096 335 HB2 LYS 44 HB2 LYS 44 7.957 3.805 4.929 336 HB3 LYS 44 HB3 LYS 44 6.674 3.378 6.054 337 HG2 LYS 44 HG2 LYS 44 8.306 2.106 7.400 338 HG3 LYS 44 HG3 LYS 44 9.583 2.610 6.290 339 HD2 LYS 44 HD2 LYS 44 7.869 4.443 7.981 340 HD3 LYS 44 HD3 LYS 44 9.551 4.011 8.296 341 HE2 LYS 44 HE2 LYS 44 10.216 5.069 6.186 342 HE3 LYS 44 HE3 LYS 44 8.535 5.496 5.866 343 HZ1 LYS 44 HZ1 LYS 44 8.544 6.866 7.857 344 HZ2 LYS 44 HZ2 LYS 44 9.759 7.354 6.785 345 HZ3 LYS 44 HZ3 LYS 44 10.159 6.457 8.156 346 H ASP 45 H ASP 45 8.942 -0.222 5.282 347 HA ASP 45 HA ASP 45 11.100 0.720 3.617 348 HB2 ASP 45 HB2 ASP 45 12.298 -1.280 4.360 349 HB3 ASP 45 HB3 ASP 45 11.570 -0.444 5.725 350 H GLN 46 H GLN 46 8.391 -1.361 3.190 351 HA GLN 46 HA GLN 46 9.483 -2.918 1.027 352 HB2 GLN 46 HB2 GLN 46 6.687 -2.617 2.127 353 HB3 GLN 46 HB3 GLN 46 7.075 -3.674 0.775 354 HG2 GLN 46 HG2 GLN 46 8.288 -3.879 3.527 355 HG3 GLN 46 HG3 GLN 46 6.940 -4.852 2.939 356 HE21 GLN 46 HE21 GLN 46 9.653 -5.607 3.817 357 HE22 GLN 46 HE22 GLN 46 10.322 -6.506 2.507 358 H VAL 47 H VAL 47 7.749 0.112 1.230 359 HA VAL 47 HA VAL 47 6.543 -0.027 -1.338 360 HB VAL 47 HB VAL 47 5.605 1.427 0.347 361 HG11 VAL 47 HG11 VAL 47 8.121 3.083 0.108 362 HG12 VAL 47 HG12 VAL 47 7.649 2.106 1.498 363 HG13 VAL 47 HG13 VAL 47 6.684 3.510 1.044 364 HG21 VAL 47 HG21 VAL 47 6.643 2.990 -2.019 365 HG22 VAL 47 HG22 VAL 47 5.275 3.449 -1.006 366 HG23 VAL 47 HG23 VAL 47 5.193 1.985 -1.988 367 H ARG 48 H ARG 48 7.585 -0.098 -3.174 368 HA ARG 48 HA ARG 48 10.149 1.160 -3.629 369 HB2 ARG 48 HB2 ARG 48 9.726 -0.978 -4.647 370 HB3 ARG 48 HB3 ARG 48 8.245 -0.401 -5.388 371 HG2 ARG 48 HG2 ARG 48 9.541 1.043 -6.877 372 HG3 ARG 48 HG3 ARG 48 11.038 0.488 -6.117 373 HD2 ARG 48 HD2 ARG 48 10.642 -1.771 -6.863 374 HD3 ARG 48 HD3 ARG 48 9.047 -1.337 -7.473 375 HE ARG 48 HE ARG 48 11.035 0.216 -8.745 376 HH11 ARG 48 HH11 ARG 48 9.762 -2.979 -8.663 377 HH12 ARG 48 HH12 ARG 48 10.221 -3.333 -10.287 378 HH21 ARG 48 HH21 ARG 48 11.599 -0.229 -10.845 379 HH22 ARG 48 HH22 ARG 48 11.236 -1.782 -11.516 380 H THR 49 H THR 49 6.969 1.436 -5.247 381 HA THR 49 HA THR 49 7.205 4.346 -5.325 382 HB THR 49 HB THR 49 6.574 4.406 -7.771 383 HG1 THR 49 HG1 THR 49 5.948 2.290 -8.144 384 HG21 THR 49 HG21 THR 49 8.861 4.923 -7.035 385 HG22 THR 49 HG22 THR 49 8.852 4.123 -8.606 386 HG23 THR 49 HG23 THR 49 9.286 3.216 -7.158 387 H VAL 50 H VAL 50 5.276 5.265 -4.935 388 HA VAL 50 HA VAL 50 2.857 3.612 -4.981 389 HB VAL 50 HB VAL 50 3.251 6.424 -3.915 390 HG11 VAL 50 HG11 VAL 50 0.918 4.518 -3.625 391 HG12 VAL 50 HG12 VAL 50 0.930 6.036 -4.523 392 HG13 VAL 50 HG13 VAL 50 1.092 6.051 -2.768 393 HG21 VAL 50 HG21 VAL 50 3.218 5.391 -1.693 394 HG22 VAL 50 HG22 VAL 50 4.558 4.779 -2.663 395 HG23 VAL 50 HG23 VAL 50 3.115 3.792 -2.431 396 H LYS 51 H LYS 51 1.815 3.554 -6.897 397 HA LYS 51 HA LYS 51 1.303 6.115 -8.284 398 HB2 LYS 51 HB2 LYS 51 1.853 3.401 -9.498 399 HB3 LYS 51 HB3 LYS 51 1.149 4.734 -10.404 400 HG2 LYS 51 HG2 LYS 51 3.181 6.085 -9.856 401 HG3 LYS 51 HG3 LYS 51 3.887 4.629 -9.149 402 HD2 LYS 51 HD2 LYS 51 3.805 3.486 -11.265 403 HD3 LYS 51 HD3 LYS 51 2.889 4.806 -11.994 404 HE2 LYS 51 HE2 LYS 51 4.843 6.299 -11.606 405 HE3 LYS 51 HE3 LYS 51 5.748 4.900 -11.028 406 HZ1 LYS 51 HZ1 LYS 51 6.132 5.468 -13.395 407 HZ2 LYS 51 HZ2 LYS 51 4.520 5.073 -13.722 408 HZ3 LYS 51 HZ3 LYS 51 5.582 3.883 -13.161 409 H ASP 52 H ASP 52 -0.741 6.338 -9.294 410 HA ASP 52 HA ASP 52 -2.857 4.754 -8.078 411 HB2 ASP 52 HB2 ASP 52 -3.072 7.104 -9.979 412 HB3 ASP 52 HB3 ASP 52 -4.365 6.426 -8.993 413 H LEU 53 H LEU 53 -4.384 3.524 -9.242 414 HA LEU 53 HA LEU 53 -3.635 2.344 -11.700 415 HB2 LEU 53 HB2 LEU 53 -6.351 2.510 -10.373 416 HB3 LEU 53 HB3 LEU 53 -5.999 1.519 -11.778 417 HG LEU 53 HG LEU 53 -4.766 1.194 -9.033 418 HD11 LEU 53 HD11 LEU 53 -6.751 -0.528 -10.522 419 HD12 LEU 53 HD12 LEU 53 -7.096 0.472 -9.110 420 HD13 LEU 53 HD13 LEU 53 -6.012 -0.911 -8.967 421 HD21 LEU 53 HD21 LEU 53 -3.763 -0.856 -9.961 422 HD22 LEU 53 HD22 LEU 53 -3.169 0.596 -10.765 423 HD23 LEU 53 HD23 LEU 53 -4.373 -0.419 -11.558 424 H LEU 54 H LEU 54 -5.517 5.172 -10.899 425 HA LEU 54 HA LEU 54 -5.564 5.907 -13.762 426 HB2 LEU 54 HB2 LEU 54 -7.501 6.801 -11.610 427 HB3 LEU 54 HB3 LEU 54 -7.527 7.313 -13.286 428 HG LEU 54 HG LEU 54 -8.073 4.516 -12.272 429 HD11 LEU 54 HD11 LEU 54 -9.901 6.582 -13.495 430 HD12 LEU 54 HD12 LEU 54 -9.889 6.068 -11.808 431 HD13 LEU 54 HD13 LEU 54 -10.352 4.929 -13.073 432 HD21 LEU 54 HD21 LEU 54 -6.968 4.412 -14.429 433 HD22 LEU 54 HD22 LEU 54 -8.083 5.609 -15.088 434 HD23 LEU 54 HD23 LEU 54 -8.677 4.018 -14.612 435 H GLU 55 H GLU 55 -3.395 6.753 -13.407 436 HA GLU 55 HA GLU 55 -2.791 8.743 -11.475 437 HB2 GLU 55 HB2 GLU 55 -1.427 8.091 -14.097 438 HB3 GLU 55 HB3 GLU 55 -0.762 9.152 -12.864 439 HG2 GLU 55 HG2 GLU 55 -0.652 7.311 -11.291 440 HG3 GLU 55 HG3 GLU 55 -1.404 6.233 -12.470 Start of MODEL 8 1 H1 MET 1 H1 MET 1 -14.861 9.791 -0.514 2 H2 MET 1 H2 MET 1 -13.455 9.044 0.062 3 H3 MET 1 H3 MET 1 -14.794 8.108 -0.377 4 HA MET 1 HA MET 1 -14.579 8.835 -2.673 5 HB2 MET 1 HB2 MET 1 -12.049 10.149 -1.650 6 HB3 MET 1 HB3 MET 1 -12.483 9.981 -3.348 7 HG2 MET 1 HG2 MET 1 -14.036 11.532 -1.279 8 HG3 MET 1 HG3 MET 1 -12.974 12.218 -2.508 9 HE1 MET 1 HE1 MET 1 -13.622 10.443 -5.063 10 HE2 MET 1 HE2 MET 1 -13.489 12.202 -5.094 11 HE3 MET 1 HE3 MET 1 -14.890 11.410 -5.818 12 H ALA 2 H ALA 2 -13.441 7.500 -4.141 13 HA ALA 2 HA ALA 2 -11.376 5.723 -3.066 14 HB1 ALA 2 HB1 ALA 2 -12.580 3.701 -3.788 15 HB2 ALA 2 HB2 ALA 2 -13.980 4.695 -4.195 16 HB3 ALA 2 HB3 ALA 2 -13.445 4.570 -2.519 17 H SER 3 H SER 3 -10.105 4.716 -4.633 18 HA SER 3 HA SER 3 -10.583 5.195 -7.462 19 HB2 SER 3 HB2 SER 3 -8.453 6.423 -7.798 20 HB3 SER 3 HB3 SER 3 -9.565 7.330 -6.771 21 HG SER 3 HG SER 3 -7.526 5.634 -5.729 22 HA PRO 4 HA PRO 4 -8.216 1.394 -7.602 23 HB2 PRO 4 HB2 PRO 4 -7.476 1.439 -10.238 24 HB3 PRO 4 HB3 PRO 4 -9.089 0.977 -9.692 25 HG2 PRO 4 HG2 PRO 4 -8.138 3.603 -10.776 26 HG3 PRO 4 HG3 PRO 4 -9.638 2.724 -11.129 27 HD2 PRO 4 HD2 PRO 4 -9.562 4.818 -9.419 28 HD3 PRO 4 HD3 PRO 4 -10.665 3.447 -9.181 29 H THR 5 H THR 5 -6.292 1.383 -6.603 30 HA THR 5 HA THR 5 -4.087 3.036 -7.686 31 HB THR 5 HB THR 5 -4.684 2.550 -4.746 32 HG1 THR 5 HG1 THR 5 -4.659 5.109 -5.908 33 HG21 THR 5 HG21 THR 5 -2.539 4.241 -6.053 34 HG22 THR 5 HG22 THR 5 -2.278 2.738 -5.168 35 HG23 THR 5 HG23 THR 5 -2.878 4.165 -4.324 36 H VAL 6 H VAL 6 -1.966 2.179 -7.469 37 HA VAL 6 HA VAL 6 -1.806 -0.643 -6.628 38 HB VAL 6 HB VAL 6 -1.906 -0.574 -9.072 39 HG11 VAL 6 HG11 VAL 6 -1.009 1.677 -9.430 40 HG12 VAL 6 HG12 VAL 6 -0.155 0.480 -10.404 41 HG13 VAL 6 HG13 VAL 6 0.592 1.121 -8.940 42 HG21 VAL 6 HG21 VAL 6 0.164 -1.829 -9.553 43 HG22 VAL 6 HG22 VAL 6 -0.592 -2.338 -8.043 44 HG23 VAL 6 HG23 VAL 6 0.831 -1.296 -8.009 45 H ILE 7 H ILE 7 -0.205 -1.103 -5.278 46 HA ILE 7 HA ILE 7 1.926 0.887 -4.831 47 HB ILE 7 HB ILE 7 0.890 -1.263 -2.960 48 HG12 ILE 7 HG12 ILE 7 0.553 1.751 -2.880 49 HG13 ILE 7 HG13 ILE 7 -0.706 0.588 -3.279 50 HG21 ILE 7 HG21 ILE 7 2.312 -0.227 -1.258 51 HG22 ILE 7 HG22 ILE 7 2.931 0.907 -2.457 52 HG23 ILE 7 HG23 ILE 7 3.275 -0.815 -2.615 53 HD11 ILE 7 HD11 ILE 7 -0.937 1.403 -1.005 54 HD12 ILE 7 HD12 ILE 7 0.690 0.840 -0.622 55 HD13 ILE 7 HD13 ILE 7 -0.576 -0.323 -1.015 56 H THR 8 H THR 8 3.759 0.331 -5.880 57 HA THR 8 HA THR 8 4.419 -2.474 -6.345 58 HB THR 8 HB THR 8 6.022 -0.033 -7.164 59 HG1 THR 8 HG1 THR 8 3.871 -1.388 -8.440 60 HG21 THR 8 HG21 THR 8 7.308 -2.109 -7.179 61 HG22 THR 8 HG22 THR 8 6.992 -1.577 -8.832 62 HG23 THR 8 HG23 THR 8 6.055 -2.900 -8.137 63 H LEU 9 H LEU 9 5.568 -3.597 -4.892 64 HA LEU 9 HA LEU 9 7.137 -2.270 -2.840 65 HB2 LEU 9 HB2 LEU 9 6.811 -5.233 -3.348 66 HB3 LEU 9 HB3 LEU 9 7.409 -4.478 -1.877 67 HG LEU 9 HG LEU 9 4.585 -4.298 -2.952 68 HD11 LEU 9 HD11 LEU 9 5.088 -6.484 -2.017 69 HD12 LEU 9 HD12 LEU 9 3.984 -5.597 -0.967 70 HD13 LEU 9 HD13 LEU 9 5.689 -5.736 -0.536 71 HD21 LEU 9 HD21 LEU 9 4.067 -3.125 -0.857 72 HD22 LEU 9 HD22 LEU 9 5.211 -2.223 -1.850 73 HD23 LEU 9 HD23 LEU 9 5.780 -3.117 -0.440 74 H ASN 10 H ASN 10 9.351 -3.275 -2.288 75 HA ASN 10 HA ASN 10 11.140 -2.713 -4.387 76 HB2 ASN 10 HB2 ASN 10 11.714 -2.470 -1.996 77 HB3 ASN 10 HB3 ASN 10 11.695 -4.222 -1.816 78 HD21 ASN 10 HD21 ASN 10 13.387 -5.429 -2.659 79 HD22 ASN 10 HD22 ASN 10 14.862 -4.709 -3.197 80 H ASP 11 H ASP 11 9.795 -5.771 -3.273 81 HA ASP 11 HA ASP 11 11.454 -7.533 -4.717 82 HB2 ASP 11 HB2 ASP 11 8.543 -7.811 -3.924 83 HB3 ASP 11 HB3 ASP 11 9.555 -9.133 -4.498 84 H GLY 12 H GLY 12 9.095 -5.315 -5.856 85 HA2 GLY 12 HA2 GLY 12 8.520 -4.949 -8.132 86 HA3 GLY 12 HA3 GLY 12 8.992 -6.605 -8.499 87 H ARG 13 H ARG 13 7.383 -7.062 -5.814 88 HA ARG 13 HA ARG 13 4.953 -7.962 -6.976 89 HB2 ARG 13 HB2 ARG 13 6.007 -8.986 -4.986 90 HB3 ARG 13 HB3 ARG 13 5.680 -7.524 -4.066 91 HG2 ARG 13 HG2 ARG 13 3.272 -7.892 -4.333 92 HG3 ARG 13 HG3 ARG 13 3.604 -9.360 -5.256 93 HD2 ARG 13 HD2 ARG 13 4.790 -10.286 -3.295 94 HD3 ARG 13 HD3 ARG 13 4.359 -8.843 -2.379 95 HE ARG 13 HE ARG 13 1.961 -9.700 -3.155 96 HH11 ARG 13 HH11 ARG 13 4.630 -11.458 -1.859 97 HH12 ARG 13 HH12 ARG 13 3.619 -12.580 -1.014 98 HH21 ARG 13 HH21 ARG 13 0.674 -11.175 -2.086 99 HH22 ARG 13 HH22 ARG 13 1.416 -12.436 -1.160 100 H GLU 14 H GLU 14 3.124 -6.846 -7.367 101 HA GLU 14 HA GLU 14 2.849 -4.154 -6.190 102 HB2 GLU 14 HB2 GLU 14 1.699 -5.251 -8.769 103 HB3 GLU 14 HB3 GLU 14 1.456 -3.617 -8.159 104 HG2 GLU 14 HG2 GLU 14 3.861 -3.192 -8.337 105 HG3 GLU 14 HG3 GLU 14 4.107 -4.832 -8.939 106 H ILE 15 H ILE 15 1.161 -3.696 -4.925 107 HA ILE 15 HA ILE 15 -1.047 -5.651 -4.725 108 HB ILE 15 HB ILE 15 -0.157 -3.633 -2.647 109 HG12 ILE 15 HG12 ILE 15 0.304 -6.633 -2.750 110 HG13 ILE 15 HG13 ILE 15 1.538 -5.404 -2.997 111 HG21 ILE 15 HG21 ILE 15 -2.144 -5.908 -2.488 112 HG22 ILE 15 HG22 ILE 15 -2.529 -4.187 -2.508 113 HG23 ILE 15 HG23 ILE 15 -1.650 -4.875 -1.144 114 HD11 ILE 15 HD11 ILE 15 -0.004 -5.865 -0.454 115 HD12 ILE 15 HD12 ILE 15 1.242 -4.641 -0.701 116 HD13 ILE 15 HD13 ILE 15 1.661 -6.353 -0.766 117 H GLN 16 H GLN 16 -3.037 -4.993 -5.348 118 HA GLN 16 HA GLN 16 -3.392 -2.176 -6.074 119 HB2 GLN 16 HB2 GLN 16 -5.110 -4.569 -6.754 120 HB3 GLN 16 HB3 GLN 16 -5.303 -2.941 -7.395 121 HG2 GLN 16 HG2 GLN 16 -3.067 -3.124 -8.436 122 HG3 GLN 16 HG3 GLN 16 -2.964 -4.785 -7.855 123 HE21 GLN 16 HE21 GLN 16 -4.474 -2.638 -10.121 124 HE22 GLN 16 HE22 GLN 16 -5.179 -3.858 -11.115 125 H ALA 17 H ALA 17 -4.700 -0.830 -5.011 126 HA ALA 17 HA ALA 17 -6.575 -1.926 -3.002 127 HB1 ALA 17 HB1 ALA 17 -4.990 0.644 -2.866 128 HB2 ALA 17 HB2 ALA 17 -4.677 -0.822 -1.936 129 HB3 ALA 17 HB3 ALA 17 -6.160 0.093 -1.665 130 H VAL 18 H VAL 18 -8.450 -0.514 -2.515 131 HA VAL 18 HA VAL 18 -9.484 0.739 -4.962 132 HB VAL 18 HB VAL 18 -11.703 0.639 -3.859 133 HG11 VAL 18 HG11 VAL 18 -10.238 -2.001 -3.894 134 HG12 VAL 18 HG12 VAL 18 -10.951 -1.202 -5.294 135 HG13 VAL 18 HG13 VAL 18 -11.986 -1.785 -3.991 136 HG21 VAL 18 HG21 VAL 18 -10.210 -0.769 -1.637 137 HG22 VAL 18 HG22 VAL 18 -11.965 -0.650 -1.774 138 HG23 VAL 18 HG23 VAL 18 -10.999 0.805 -1.531 139 H ASP 19 H ASP 19 -7.947 1.741 -2.204 140 HA ASP 19 HA ASP 19 -8.892 4.471 -2.572 141 HB2 ASP 19 HB2 ASP 19 -8.897 4.700 0.025 142 HB3 ASP 19 HB3 ASP 19 -10.309 4.045 -0.792 143 H THR 20 H THR 20 -7.579 5.969 -0.996 144 HA THR 20 HA THR 20 -4.837 5.658 -1.829 145 HB THR 20 HB THR 20 -4.496 7.887 -0.791 146 HG1 THR 20 HG1 THR 20 -6.043 7.636 0.918 147 HG21 THR 20 HG21 THR 20 -5.297 7.772 -3.102 148 HG22 THR 20 HG22 THR 20 -6.009 9.154 -2.266 149 HG23 THR 20 HG23 THR 20 -6.966 7.696 -2.532 150 HA PRO 21 HA PRO 21 -3.458 3.756 1.989 151 HB2 PRO 21 HB2 PRO 21 -0.780 3.910 1.548 152 HB3 PRO 21 HB3 PRO 21 -1.822 2.750 0.717 153 HG2 PRO 21 HG2 PRO 21 -0.791 5.398 -0.251 154 HG3 PRO 21 HG3 PRO 21 -0.863 3.845 -1.111 155 HD2 PRO 21 HD2 PRO 21 -2.703 5.797 -1.497 156 HD3 PRO 21 HD3 PRO 21 -3.116 4.073 -1.594 157 H LYS 22 H LYS 22 -3.174 4.568 3.987 158 HA LYS 22 HA LYS 22 -2.287 7.340 4.317 159 HB2 LYS 22 HB2 LYS 22 -4.349 6.676 5.447 160 HB3 LYS 22 HB3 LYS 22 -3.504 5.375 6.278 161 HG2 LYS 22 HG2 LYS 22 -2.083 7.101 7.396 162 HG3 LYS 22 HG3 LYS 22 -3.099 8.342 6.662 163 HD2 LYS 22 HD2 LYS 22 -4.047 6.176 8.549 164 HD3 LYS 22 HD3 LYS 22 -3.758 7.861 8.980 165 HE2 LYS 22 HE2 LYS 22 -5.494 8.545 7.361 166 HE3 LYS 22 HE3 LYS 22 -5.807 6.845 7.006 167 HZ1 LYS 22 HZ1 LYS 22 -7.381 7.774 8.602 168 HZ2 LYS 22 HZ2 LYS 22 -6.118 8.115 9.673 169 HZ3 LYS 22 HZ3 LYS 22 -6.484 6.512 9.284 170 H TYR 23 H TYR 23 -0.378 7.925 5.258 171 HA TYR 23 HA TYR 23 1.465 5.803 6.104 172 HB2 TYR 23 HB2 TYR 23 2.357 7.411 4.510 173 HB3 TYR 23 HB3 TYR 23 1.921 8.749 5.565 174 HD1 TYR 23 HD1 TYR 23 4.004 5.640 5.560 175 HD2 TYR 23 HD2 TYR 23 3.558 9.632 6.982 176 HE1 TYR 23 HE1 TYR 23 6.225 5.514 6.603 177 HE2 TYR 23 HE2 TYR 23 5.781 9.510 8.027 178 HH TYR 23 HH TYR 23 7.327 7.682 8.887 179 H ASP 24 H ASP 24 1.476 5.267 8.223 180 HA ASP 24 HA ASP 24 0.973 7.396 10.208 181 HB2 ASP 24 HB2 ASP 24 -0.608 5.492 10.281 182 HB3 ASP 24 HB3 ASP 24 0.742 4.394 10.565 183 H GLU 25 H GLU 25 2.699 8.133 11.275 184 HA GLU 25 HA GLU 25 5.282 6.938 10.964 185 HB2 GLU 25 HB2 GLU 25 5.079 9.341 11.043 186 HB3 GLU 25 HB3 GLU 25 4.292 9.270 12.613 187 HG2 GLU 25 HG2 GLU 25 6.365 8.430 13.613 188 HG3 GLU 25 HG3 GLU 25 7.159 8.528 12.041 189 H GLU 26 H GLU 26 2.989 7.192 13.650 190 HA GLU 26 HA GLU 26 4.686 6.343 15.714 191 HB2 GLU 26 HB2 GLU 26 1.680 6.087 15.454 192 HB3 GLU 26 HB3 GLU 26 2.580 5.898 16.957 193 HG2 GLU 26 HG2 GLU 26 3.264 8.187 16.924 194 HG3 GLU 26 HG3 GLU 26 2.640 8.408 15.291 195 H SER 27 H SER 27 2.607 4.428 13.552 196 HA SER 27 HA SER 27 3.625 1.949 14.742 197 HB2 SER 27 HB2 SER 27 1.517 2.436 12.622 198 HB3 SER 27 HB3 SER 27 2.050 0.827 13.112 199 HG SER 27 HG SER 27 0.517 2.709 14.500 200 H GLY 28 H GLY 28 4.066 3.916 11.864 201 HA2 GLY 28 HA2 GLY 28 5.924 3.852 10.451 202 HA3 GLY 28 HA3 GLY 28 6.410 2.337 11.185 203 H PHE 29 H PHE 29 3.155 2.374 10.133 204 HA PHE 29 HA PHE 29 3.917 0.767 7.765 205 HB2 PHE 29 HB2 PHE 29 1.475 0.442 9.532 206 HB3 PHE 29 HB3 PHE 29 1.871 -0.551 8.136 207 HD1 PHE 29 HD1 PHE 29 4.171 -1.791 8.242 208 HD2 PHE 29 HD2 PHE 29 2.120 -0.260 11.646 209 HE1 PHE 29 HE1 PHE 29 5.424 -3.335 9.686 210 HE2 PHE 29 HE2 PHE 29 3.375 -1.802 13.096 211 HZ PHE 29 HZ PHE 29 5.030 -3.341 12.116 212 H TYR 30 H TYR 30 2.359 0.710 5.994 213 HA TYR 30 HA TYR 30 0.771 3.172 5.696 214 HB2 TYR 30 HB2 TYR 30 1.870 1.160 3.737 215 HB3 TYR 30 HB3 TYR 30 0.544 2.215 3.273 216 HD1 TYR 30 HD1 TYR 30 4.126 2.086 4.144 217 HD2 TYR 30 HD2 TYR 30 0.899 4.573 2.889 218 HE1 TYR 30 HE1 TYR 30 5.724 3.838 3.503 219 HE2 TYR 30 HE2 TYR 30 2.496 6.326 2.251 220 HH TYR 30 HH TYR 30 4.777 7.023 2.768 221 H GLU 31 H GLU 31 -1.413 3.108 5.829 222 HA GLU 31 HA GLU 31 -2.741 0.489 6.011 223 HB2 GLU 31 HB2 GLU 31 -3.887 3.226 6.620 224 HB3 GLU 31 HB3 GLU 31 -4.607 1.671 7.011 225 HG2 GLU 31 HG2 GLU 31 -2.663 1.219 8.501 226 HG3 GLU 31 HG3 GLU 31 -2.115 2.868 8.202 227 H PHE 32 H PHE 32 -3.744 -0.291 4.254 228 HA PHE 32 HA PHE 32 -5.267 1.518 2.529 229 HB2 PHE 32 HB2 PHE 32 -4.299 0.519 0.466 230 HB3 PHE 32 HB3 PHE 32 -3.118 1.428 1.399 231 HD1 PHE 32 HD1 PHE 32 -1.447 0.187 2.807 232 HD2 PHE 32 HD2 PHE 32 -3.978 -1.789 -0.003 233 HE1 PHE 32 HE1 PHE 32 0.040 -1.765 2.843 234 HE2 PHE 32 HE2 PHE 32 -2.483 -3.745 0.038 235 HZ PHE 32 HZ PHE 32 -0.473 -3.735 1.460 236 H LYS 33 H LYS 33 -6.850 0.458 1.198 237 HA LYS 33 HA LYS 33 -7.612 -2.206 2.228 238 HB2 LYS 33 HB2 LYS 33 -9.165 -0.270 2.615 239 HB3 LYS 33 HB3 LYS 33 -9.374 -0.155 0.875 240 HG2 LYS 33 HG2 LYS 33 -10.223 -2.506 0.898 241 HG3 LYS 33 HG3 LYS 33 -10.168 -2.444 2.660 242 HD2 LYS 33 HD2 LYS 33 -11.814 -0.666 0.852 243 HD3 LYS 33 HD3 LYS 33 -12.419 -1.987 1.848 244 HE2 LYS 33 HE2 LYS 33 -12.919 -0.007 3.034 245 HE3 LYS 33 HE3 LYS 33 -11.522 -0.704 3.852 246 HZ1 LYS 33 HZ1 LYS 33 -11.214 1.364 1.761 247 HZ2 LYS 33 HZ2 LYS 33 -10.113 0.914 2.958 248 HZ3 LYS 33 HZ3 LYS 33 -11.502 1.786 3.367 249 H GLN 34 H GLN 34 -7.019 -3.780 0.867 250 HA GLN 34 HA GLN 34 -6.360 -3.458 -1.845 251 HB2 GLN 34 HB2 GLN 34 -7.092 -5.968 -0.319 252 HB3 GLN 34 HB3 GLN 34 -6.342 -5.944 -1.912 253 HG2 GLN 34 HG2 GLN 34 -4.357 -4.921 -1.033 254 HG3 GLN 34 HG3 GLN 34 -5.110 -4.708 0.546 255 HE21 GLN 34 HE21 GLN 34 -5.357 -6.489 1.891 256 HE22 GLN 34 HE22 GLN 34 -4.495 -7.963 1.630 257 H LEU 35 H LEU 35 -7.379 -4.687 -3.685 258 HA LEU 35 HA LEU 35 -9.838 -3.677 -4.366 259 HB2 LEU 35 HB2 LEU 35 -8.596 -6.248 -5.343 260 HB3 LEU 35 HB3 LEU 35 -9.943 -5.439 -6.120 261 HG LEU 35 HG LEU 35 -7.135 -4.352 -5.835 262 HD11 LEU 35 HD11 LEU 35 -7.071 -4.570 -8.272 263 HD12 LEU 35 HD12 LEU 35 -8.679 -5.296 -8.251 264 HD13 LEU 35 HD13 LEU 35 -7.326 -6.130 -7.489 265 HD21 LEU 35 HD21 LEU 35 -9.571 -3.120 -7.141 266 HD22 LEU 35 HD22 LEU 35 -7.923 -2.495 -7.252 267 HD23 LEU 35 HD23 LEU 35 -8.747 -2.533 -5.695 268 H ASP 36 H ASP 36 -9.239 -6.846 -2.879 269 HA ASP 36 HA ASP 36 -11.946 -7.740 -3.101 270 HB2 ASP 36 HB2 ASP 36 -10.027 -8.863 -1.083 271 HB3 ASP 36 HB3 ASP 36 -11.220 -9.701 -2.072 272 H GLY 37 H GLY 37 -10.756 -5.345 -1.201 273 HA2 GLY 37 HA2 GLY 37 -11.977 -4.192 0.464 274 HA3 GLY 37 HA3 GLY 37 -12.850 -5.673 0.828 275 H LYS 38 H LYS 38 -9.718 -6.598 0.598 276 HA LYS 38 HA LYS 38 -9.460 -6.980 3.412 277 HB2 LYS 38 HB2 LYS 38 -7.362 -7.393 1.266 278 HB3 LYS 38 HB3 LYS 38 -7.312 -8.030 2.903 279 HG2 LYS 38 HG2 LYS 38 -9.471 -9.259 2.320 280 HG3 LYS 38 HG3 LYS 38 -9.121 -8.835 0.642 281 HD2 LYS 38 HD2 LYS 38 -7.304 -10.391 2.493 282 HD3 LYS 38 HD3 LYS 38 -8.294 -11.084 1.210 283 HE2 LYS 38 HE2 LYS 38 -6.218 -8.976 0.649 284 HE3 LYS 38 HE3 LYS 38 -5.806 -10.686 0.729 285 HZ1 LYS 38 HZ1 LYS 38 -6.225 -10.014 -1.533 286 HZ2 LYS 38 HZ2 LYS 38 -7.767 -9.454 -1.132 287 HZ3 LYS 38 HZ3 LYS 38 -7.415 -11.103 -1.037 288 H GLN 39 H GLN 39 -9.264 -5.063 4.538 289 HA GLN 39 HA GLN 39 -7.298 -3.074 3.800 290 HB2 GLN 39 HB2 GLN 39 -9.421 -2.457 4.928 291 HB3 GLN 39 HB3 GLN 39 -8.909 -3.351 6.353 292 HG2 GLN 39 HG2 GLN 39 -6.957 -1.825 6.554 293 HG3 GLN 39 HG3 GLN 39 -7.599 -0.887 5.204 294 HE21 GLN 39 HE21 GLN 39 -7.842 0.962 6.456 295 HE22 GLN 39 HE22 GLN 39 -9.063 1.102 7.669 296 H THR 40 H THR 40 -5.179 -3.170 4.308 297 HA THR 40 HA THR 40 -4.310 -4.540 6.744 298 HB THR 40 HB THR 40 -4.258 -6.337 5.080 299 HG1 THR 40 HG1 THR 40 -1.542 -5.886 5.203 300 HG21 THR 40 HG21 THR 40 -4.033 -4.990 3.046 301 HG22 THR 40 HG22 THR 40 -2.762 -6.209 3.129 302 HG23 THR 40 HG23 THR 40 -2.397 -4.528 3.518 303 H ARG 41 H ARG 41 -1.948 -4.258 7.132 304 HA ARG 41 HA ARG 41 -0.967 -1.699 6.025 305 HB2 ARG 41 HB2 ARG 41 -0.460 -2.855 8.777 306 HB3 ARG 41 HB3 ARG 41 0.166 -1.328 8.171 307 HG2 ARG 41 HG2 ARG 41 -2.125 -0.463 7.994 308 HG3 ARG 41 HG3 ARG 41 -2.744 -1.991 8.623 309 HD2 ARG 41 HD2 ARG 41 -0.930 -0.053 10.066 310 HD3 ARG 41 HD3 ARG 41 -2.641 -0.329 10.395 311 HE ARG 41 HE ARG 41 -1.030 -2.699 10.612 312 HH11 ARG 41 HH11 ARG 41 -2.117 0.103 12.309 313 HH12 ARG 41 HH12 ARG 41 -1.956 -0.652 13.857 314 HH21 ARG 41 HH21 ARG 41 -0.799 -3.622 12.589 315 HH22 ARG 41 HH22 ARG 41 -1.223 -2.743 14.019 316 H ILE 42 H ILE 42 1.221 -1.511 5.532 317 HA ILE 42 HA ILE 42 2.902 -3.914 5.804 318 HB ILE 42 HB ILE 42 1.992 -3.827 3.492 319 HG12 ILE 42 HG12 ILE 42 4.975 -3.282 3.627 320 HG13 ILE 42 HG13 ILE 42 4.218 -4.830 3.987 321 HG21 ILE 42 HG21 ILE 42 1.768 -1.403 3.273 322 HG22 ILE 42 HG22 ILE 42 2.724 -2.070 1.950 323 HG23 ILE 42 HG23 ILE 42 3.523 -1.229 3.280 324 HD11 ILE 42 HD11 ILE 42 5.167 -4.812 1.761 325 HD12 ILE 42 HD12 ILE 42 4.177 -3.418 1.331 326 HD13 ILE 42 HD13 ILE 42 3.411 -4.967 1.687 327 H ASN 43 H ASN 43 5.204 -3.490 5.840 328 HA ASN 43 HA ASN 43 5.858 -1.227 7.386 329 HB2 ASN 43 HB2 ASN 43 7.015 -3.545 7.250 330 HB3 ASN 43 HB3 ASN 43 7.925 -2.851 5.914 331 HD21 ASN 43 HD21 ASN 43 9.873 -2.949 7.009 332 HD22 ASN 43 HD22 ASN 43 10.244 -1.915 8.339 333 H LYS 44 H LYS 44 6.774 0.706 6.923 334 HA LYS 44 HA LYS 44 6.150 1.862 4.451 335 HB2 LYS 44 HB2 LYS 44 7.337 3.871 5.345 336 HB3 LYS 44 HB3 LYS 44 6.152 3.180 6.445 337 HG2 LYS 44 HG2 LYS 44 8.046 2.003 7.602 338 HG3 LYS 44 HG3 LYS 44 9.152 2.952 6.605 339 HD2 LYS 44 HD2 LYS 44 8.291 5.014 7.541 340 HD3 LYS 44 HD3 LYS 44 7.054 4.130 8.437 341 HE2 LYS 44 HE2 LYS 44 8.856 4.733 9.930 342 HE3 LYS 44 HE3 LYS 44 8.829 2.985 9.712 343 HZ1 LYS 44 HZ1 LYS 44 11.076 3.832 9.617 344 HZ2 LYS 44 HZ2 LYS 44 10.668 4.878 8.355 345 HZ3 LYS 44 HZ3 LYS 44 10.636 3.209 8.111 346 H ASP 45 H ASP 45 9.013 0.109 5.213 347 HA ASP 45 HA ASP 45 10.625 1.601 3.285 348 HB2 ASP 45 HB2 ASP 45 12.490 0.231 4.028 349 HB3 ASP 45 HB3 ASP 45 11.653 0.934 5.406 350 H GLN 46 H GLN 46 8.542 -1.054 3.241 351 HA GLN 46 HA GLN 46 9.897 -2.662 1.274 352 HB2 GLN 46 HB2 GLN 46 7.002 -2.681 2.177 353 HB3 GLN 46 HB3 GLN 46 7.748 -3.902 1.154 354 HG2 GLN 46 HG2 GLN 46 8.582 -3.253 3.972 355 HG3 GLN 46 HG3 GLN 46 7.553 -4.604 3.501 356 HE21 GLN 46 HE21 GLN 46 10.175 -4.550 4.815 357 HE22 GLN 46 HE22 GLN 46 11.205 -5.529 3.836 358 H VAL 47 H VAL 47 7.698 0.019 1.162 359 HA VAL 47 HA VAL 47 6.738 -0.497 -1.501 360 HB VAL 47 HB VAL 47 5.278 0.651 0.039 361 HG11 VAL 47 HG11 VAL 47 6.961 1.753 1.427 362 HG12 VAL 47 HG12 VAL 47 5.731 2.894 0.886 363 HG13 VAL 47 HG13 VAL 47 7.320 2.877 0.116 364 HG21 VAL 47 HG21 VAL 47 6.180 2.504 -2.175 365 HG22 VAL 47 HG22 VAL 47 4.629 2.581 -1.338 366 HG23 VAL 47 HG23 VAL 47 5.028 1.179 -2.331 367 H ARG 48 H ARG 48 7.807 -0.085 -3.328 368 HA ARG 48 HA ARG 48 10.061 1.730 -3.412 369 HB2 ARG 48 HB2 ARG 48 10.118 -0.366 -4.707 370 HB3 ARG 48 HB3 ARG 48 8.727 0.166 -5.643 371 HG2 ARG 48 HG2 ARG 48 10.015 1.993 -6.584 372 HG3 ARG 48 HG3 ARG 48 11.399 1.565 -5.579 373 HD2 ARG 48 HD2 ARG 48 11.724 0.750 -7.842 374 HD3 ARG 48 HD3 ARG 48 11.549 -0.605 -6.728 375 HE ARG 48 HE ARG 48 9.591 -1.193 -7.785 376 HH11 ARG 48 HH11 ARG 48 10.579 1.916 -8.892 377 HH12 ARG 48 HH12 ARG 48 9.484 1.909 -10.226 378 HH21 ARG 48 HH21 ARG 48 8.202 -1.195 -9.517 379 HH22 ARG 48 HH22 ARG 48 8.142 0.170 -10.572 380 H THR 49 H THR 49 6.992 1.528 -5.246 381 HA THR 49 HA THR 49 6.788 4.464 -5.224 382 HB THR 49 HB THR 49 6.171 4.496 -7.643 383 HG1 THR 49 HG1 THR 49 5.621 2.325 -7.967 384 HG21 THR 49 HG21 THR 49 8.455 5.097 -6.987 385 HG22 THR 49 HG22 THR 49 8.441 4.277 -8.550 386 HG23 THR 49 HG23 THR 49 8.940 3.404 -7.101 387 H VAL 50 H VAL 50 4.728 5.190 -4.961 388 HA VAL 50 HA VAL 50 2.511 3.246 -5.201 389 HB VAL 50 HB VAL 50 2.561 5.858 -3.657 390 HG11 VAL 50 HG11 VAL 50 0.461 3.685 -3.773 391 HG12 VAL 50 HG12 VAL 50 0.324 5.307 -4.456 392 HG13 VAL 50 HG13 VAL 50 0.428 5.093 -2.710 393 HG21 VAL 50 HG21 VAL 50 4.002 4.194 -2.615 394 HG22 VAL 50 HG22 VAL 50 2.691 3.014 -2.647 395 HG23 VAL 50 HG23 VAL 50 2.555 4.459 -1.642 396 H LYS 51 H LYS 51 1.528 3.440 -7.146 397 HA LYS 51 HA LYS 51 0.950 6.163 -8.148 398 HB2 LYS 51 HB2 LYS 51 1.716 3.718 -9.758 399 HB3 LYS 51 HB3 LYS 51 1.060 5.187 -10.464 400 HG2 LYS 51 HG2 LYS 51 2.999 6.436 -9.545 401 HG3 LYS 51 HG3 LYS 51 3.677 4.899 -8.999 402 HD2 LYS 51 HD2 LYS 51 3.747 4.092 -11.299 403 HD3 LYS 51 HD3 LYS 51 2.989 5.582 -11.863 404 HE2 LYS 51 HE2 LYS 51 4.931 6.858 -11.048 405 HE3 LYS 51 HE3 LYS 51 5.695 5.352 -10.542 406 HZ1 LYS 51 HZ1 LYS 51 6.501 6.113 -12.694 407 HZ2 LYS 51 HZ2 LYS 51 4.938 6.040 -13.329 408 HZ3 LYS 51 HZ3 LYS 51 5.716 4.623 -12.839 409 H ASP 52 H ASP 52 -1.014 6.400 -9.360 410 HA ASP 52 HA ASP 52 -3.108 4.509 -8.605 411 HB2 ASP 52 HB2 ASP 52 -3.278 7.167 -10.050 412 HB3 ASP 52 HB3 ASP 52 -4.651 6.220 -9.485 413 H LEU 53 H LEU 53 -4.424 3.405 -10.106 414 HA LEU 53 HA LEU 53 -3.336 2.792 -12.669 415 HB2 LEU 53 HB2 LEU 53 -6.144 2.344 -11.620 416 HB3 LEU 53 HB3 LEU 53 -5.476 1.617 -13.068 417 HG LEU 53 HG LEU 53 -4.622 1.094 -10.217 418 HD11 LEU 53 HD11 LEU 53 -5.369 -1.192 -10.680 419 HD12 LEU 53 HD12 LEU 53 -5.898 -0.695 -12.287 420 HD13 LEU 53 HD13 LEU 53 -6.680 -0.030 -10.855 421 HD21 LEU 53 HD21 LEU 53 -3.033 -0.530 -11.135 422 HD22 LEU 53 HD22 LEU 53 -2.651 1.111 -11.651 423 HD23 LEU 53 HD23 LEU 53 -3.438 -0.003 -12.769 424 H LEU 54 H LEU 54 -5.817 4.985 -11.485 425 HA LEU 54 HA LEU 54 -5.755 6.404 -14.082 426 HB2 LEU 54 HB2 LEU 54 -7.945 6.511 -11.990 427 HB3 LEU 54 HB3 LEU 54 -7.966 7.274 -13.569 428 HG LEU 54 HG LEU 54 -7.989 4.289 -13.068 429 HD11 LEU 54 HD11 LEU 54 -10.089 5.304 -12.408 430 HD12 LEU 54 HD12 LEU 54 -10.298 4.387 -13.899 431 HD13 LEU 54 HD13 LEU 54 -10.196 6.147 -13.953 432 HD21 LEU 54 HD21 LEU 54 -6.867 4.896 -15.165 433 HD22 LEU 54 HD22 LEU 54 -8.289 5.818 -15.654 434 HD23 LEU 54 HD23 LEU 54 -8.397 4.068 -15.454 435 H GLU 55 H GLU 55 -3.873 7.561 -13.448 436 HA GLU 55 HA GLU 55 -3.475 8.847 -10.987 437 HB2 GLU 55 HB2 GLU 55 -2.305 9.419 -13.715 438 HB3 GLU 55 HB3 GLU 55 -1.749 10.195 -12.237 439 HG2 GLU 55 HG2 GLU 55 -1.055 8.078 -11.323 440 HG3 GLU 55 HG3 GLU 55 -1.745 7.215 -12.698 Start of MODEL 9 1 H1 MET 1 H1 MET 1 -12.018 11.460 0.625 2 H2 MET 1 H2 MET 1 -12.608 12.745 -0.296 3 H3 MET 1 H3 MET 1 -10.971 12.322 -0.383 4 HA MET 1 HA MET 1 -13.249 10.656 -1.286 5 HB2 MET 1 HB2 MET 1 -11.104 12.116 -2.856 6 HB3 MET 1 HB3 MET 1 -12.312 11.042 -3.551 7 HG2 MET 1 HG2 MET 1 -12.941 13.349 -3.885 8 HG3 MET 1 HG3 MET 1 -14.082 12.560 -2.797 9 HE1 MET 1 HE1 MET 1 -13.919 15.721 -3.115 10 HE2 MET 1 HE2 MET 1 -14.017 16.231 -1.430 11 HE3 MET 1 HE3 MET 1 -15.033 14.911 -2.012 12 H ALA 2 H ALA 2 -12.306 8.898 -2.849 13 HA ALA 2 HA ALA 2 -9.761 7.835 -1.790 14 HB1 ALA 2 HB1 ALA 2 -10.692 5.585 -1.757 15 HB2 ALA 2 HB2 ALA 2 -12.248 6.204 -2.313 16 HB3 ALA 2 HB3 ALA 2 -11.636 6.659 -0.723 17 H SER 3 H SER 3 -8.428 6.825 -3.259 18 HA SER 3 HA SER 3 -9.345 6.657 -6.065 19 HB2 SER 3 HB2 SER 3 -7.947 8.622 -5.927 20 HB3 SER 3 HB3 SER 3 -6.709 7.746 -5.030 21 HG SER 3 HG SER 3 -5.900 7.126 -6.857 22 HA PRO 4 HA PRO 4 -7.746 2.457 -5.745 23 HB2 PRO 4 HB2 PRO 4 -7.664 1.940 -8.447 24 HB3 PRO 4 HB3 PRO 4 -9.128 1.829 -7.465 25 HG2 PRO 4 HG2 PRO 4 -8.199 4.062 -9.235 26 HG3 PRO 4 HG3 PRO 4 -9.827 3.380 -9.052 27 HD2 PRO 4 HD2 PRO 4 -9.121 5.690 -7.857 28 HD3 PRO 4 HD3 PRO 4 -10.232 4.541 -7.082 29 H THR 5 H THR 5 -5.650 2.173 -5.247 30 HA THR 5 HA THR 5 -3.589 3.427 -6.970 31 HB THR 5 HB THR 5 -3.398 2.965 -3.979 32 HG1 THR 5 HG1 THR 5 -3.978 5.328 -5.472 33 HG21 THR 5 HG21 THR 5 -1.228 2.938 -5.076 34 HG22 THR 5 HG22 THR 5 -1.416 4.424 -4.145 35 HG23 THR 5 HG23 THR 5 -1.600 4.453 -5.899 36 H VAL 6 H VAL 6 -1.933 2.163 -7.683 37 HA VAL 6 HA VAL 6 -1.758 -0.593 -6.666 38 HB VAL 6 HB VAL 6 -1.989 -0.415 -9.092 39 HG11 VAL 6 HG11 VAL 6 0.617 1.113 -9.044 40 HG12 VAL 6 HG12 VAL 6 -0.966 1.766 -9.463 41 HG13 VAL 6 HG13 VAL 6 -0.218 0.545 -10.490 42 HG21 VAL 6 HG21 VAL 6 -0.084 -1.810 -9.748 43 HG22 VAL 6 HG22 VAL 6 -0.728 -2.293 -8.179 44 HG23 VAL 6 HG23 VAL 6 0.762 -1.355 -8.269 45 H ILE 7 H ILE 7 -0.297 -0.992 -5.161 46 HA ILE 7 HA ILE 7 2.001 0.797 -4.822 47 HB ILE 7 HB ILE 7 0.958 -1.386 -2.997 48 HG12 ILE 7 HG12 ILE 7 0.709 1.633 -2.789 49 HG13 ILE 7 HG13 ILE 7 -0.593 0.530 -3.229 50 HG21 ILE 7 HG21 ILE 7 2.458 -0.429 -1.305 51 HG22 ILE 7 HG22 ILE 7 3.084 0.706 -2.500 52 HG23 ILE 7 HG23 ILE 7 3.358 -1.025 -2.700 53 HD11 ILE 7 HD11 ILE 7 -0.800 1.213 -0.926 54 HD12 ILE 7 HD12 ILE 7 0.832 0.641 -0.579 55 HD13 ILE 7 HD13 ILE 7 -0.432 -0.510 -1.013 56 H THR 8 H THR 8 3.777 0.225 -5.935 57 HA THR 8 HA THR 8 4.360 -2.595 -6.472 58 HB THR 8 HB THR 8 5.889 -0.132 -7.362 59 HG1 THR 8 HG1 THR 8 3.567 -1.285 -8.271 60 HG21 THR 8 HG21 THR 8 6.868 -1.649 -9.049 61 HG22 THR 8 HG22 THR 8 6.020 -3.009 -8.309 62 HG23 THR 8 HG23 THR 8 7.268 -2.148 -7.407 63 H LEU 9 H LEU 9 5.532 -3.726 -5.059 64 HA LEU 9 HA LEU 9 7.071 -2.410 -2.993 65 HB2 LEU 9 HB2 LEU 9 6.714 -5.366 -3.515 66 HB3 LEU 9 HB3 LEU 9 7.355 -4.638 -2.054 67 HG LEU 9 HG LEU 9 4.511 -4.409 -3.059 68 HD11 LEU 9 HD11 LEU 9 5.024 -6.593 -2.111 69 HD12 LEU 9 HD12 LEU 9 3.954 -5.685 -1.044 70 HD13 LEU 9 HD13 LEU 9 5.669 -5.827 -0.658 71 HD21 LEU 9 HD21 LEU 9 4.061 -3.211 -0.966 72 HD22 LEU 9 HD22 LEU 9 5.208 -2.335 -1.982 73 HD23 LEU 9 HD23 LEU 9 5.783 -3.239 -0.580 74 H ASN 10 H ASN 10 9.273 -3.148 -2.426 75 HA ASN 10 HA ASN 10 11.077 -2.634 -4.489 76 HB2 ASN 10 HB2 ASN 10 11.645 -2.213 -2.176 77 HB3 ASN 10 HB3 ASN 10 11.552 -3.928 -1.799 78 HD21 ASN 10 HD21 ASN 10 13.252 -5.252 -2.330 79 HD22 ASN 10 HD22 ASN 10 14.770 -4.656 -2.898 80 H ASP 11 H ASP 11 10.100 -5.780 -3.137 81 HA ASP 11 HA ASP 11 11.939 -7.356 -4.592 82 HB2 ASP 11 HB2 ASP 11 9.228 -8.075 -3.458 83 HB3 ASP 11 HB3 ASP 11 10.383 -9.244 -4.091 84 H GLY 12 H GLY 12 9.249 -5.614 -5.728 85 HA2 GLY 12 HA2 GLY 12 8.854 -5.396 -8.076 86 HA3 GLY 12 HA3 GLY 12 9.399 -7.049 -8.296 87 H ARG 13 H ARG 13 7.290 -6.796 -5.657 88 HA ARG 13 HA ARG 13 5.109 -7.943 -7.245 89 HB2 ARG 13 HB2 ARG 13 5.768 -9.202 -5.277 90 HB3 ARG 13 HB3 ARG 13 5.522 -7.795 -4.251 91 HG2 ARG 13 HG2 ARG 13 3.147 -7.852 -4.638 92 HG3 ARG 13 HG3 ARG 13 3.328 -9.148 -5.822 93 HD2 ARG 13 HD2 ARG 13 4.138 -10.647 -4.076 94 HD3 ARG 13 HD3 ARG 13 4.022 -9.348 -2.891 95 HE ARG 13 HE ARG 13 1.547 -9.391 -3.525 96 HH11 ARG 13 HH11 ARG 13 3.571 -12.182 -3.569 97 HH12 ARG 13 HH12 ARG 13 2.284 -13.258 -3.146 98 HH21 ARG 13 HH21 ARG 13 -0.098 -10.784 -2.974 99 HH22 ARG 13 HH22 ARG 13 0.238 -12.473 -2.800 100 H GLU 14 H GLU 14 3.225 -6.924 -7.643 101 HA GLU 14 HA GLU 14 2.851 -4.219 -6.531 102 HB2 GLU 14 HB2 GLU 14 1.589 -5.545 -8.944 103 HB3 GLU 14 HB3 GLU 14 1.306 -3.885 -8.433 104 HG2 GLU 14 HG2 GLU 14 3.569 -3.275 -8.909 105 HG3 GLU 14 HG3 GLU 14 4.017 -4.957 -9.191 106 H ILE 15 H ILE 15 1.229 -3.785 -5.148 107 HA ILE 15 HA ILE 15 -0.976 -5.740 -4.857 108 HB ILE 15 HB ILE 15 0.082 -3.814 -2.763 109 HG12 ILE 15 HG12 ILE 15 0.338 -6.837 -2.923 110 HG13 ILE 15 HG13 ILE 15 1.639 -5.690 -3.223 111 HG21 ILE 15 HG21 ILE 15 -2.041 -5.961 -2.575 112 HG22 ILE 15 HG22 ILE 15 -2.312 -4.219 -2.527 113 HG23 ILE 15 HG23 ILE 15 -1.427 -5.009 -1.222 114 HD11 ILE 15 HD11 ILE 15 0.197 -6.083 -0.611 115 HD12 ILE 15 HD12 ILE 15 1.491 -4.922 -0.910 116 HD13 ILE 15 HD13 ILE 15 1.818 -6.652 -1.010 117 H GLN 16 H GLN 16 -2.896 -5.018 -5.579 118 HA GLN 16 HA GLN 16 -3.244 -2.161 -6.100 119 HB2 GLN 16 HB2 GLN 16 -4.952 -4.528 -6.900 120 HB3 GLN 16 HB3 GLN 16 -5.220 -2.863 -7.403 121 HG2 GLN 16 HG2 GLN 16 -3.038 -2.865 -8.538 122 HG3 GLN 16 HG3 GLN 16 -2.808 -4.548 -8.064 123 HE21 GLN 16 HE21 GLN 16 -4.583 -2.373 -10.106 124 HE22 GLN 16 HE22 GLN 16 -5.246 -3.572 -11.152 125 H ALA 17 H ALA 17 -4.546 -0.848 -4.987 126 HA ALA 17 HA ALA 17 -6.421 -2.011 -3.021 127 HB1 ALA 17 HB1 ALA 17 -4.774 0.506 -2.717 128 HB2 ALA 17 HB2 ALA 17 -4.471 -1.033 -1.909 129 HB3 ALA 17 HB3 ALA 17 -5.934 -0.119 -1.543 130 H VAL 18 H VAL 18 -8.379 -0.873 -2.646 131 HA VAL 18 HA VAL 18 -9.372 0.579 -4.944 132 HB VAL 18 HB VAL 18 -11.557 0.533 -3.785 133 HG11 VAL 18 HG11 VAL 18 -10.924 -1.331 -5.224 134 HG12 VAL 18 HG12 VAL 18 -11.886 -1.901 -3.858 135 HG13 VAL 18 HG13 VAL 18 -10.136 -2.135 -3.864 136 HG21 VAL 18 HG21 VAL 18 -10.063 -0.914 -1.592 137 HG22 VAL 18 HG22 VAL 18 -11.813 -0.705 -1.687 138 HG23 VAL 18 HG23 VAL 18 -10.767 0.700 -1.475 139 H ASP 19 H ASP 19 -7.993 1.452 -1.947 140 HA ASP 19 HA ASP 19 -8.607 4.251 -2.538 141 HB2 ASP 19 HB2 ASP 19 -8.672 4.618 0.043 142 HB3 ASP 19 HB3 ASP 19 -10.111 4.054 -0.793 143 H THR 20 H THR 20 -7.168 5.681 -0.914 144 HA THR 20 HA THR 20 -4.551 5.137 -1.993 145 HB THR 20 HB THR 20 -3.944 7.379 -1.195 146 HG1 THR 20 HG1 THR 20 -4.972 8.019 0.551 147 HG21 THR 20 HG21 THR 20 -5.095 7.206 -3.337 148 HG22 THR 20 HG22 THR 20 -5.591 8.677 -2.500 149 HG23 THR 20 HG23 THR 20 -6.659 7.274 -2.526 150 HA PRO 21 HA PRO 21 -2.642 3.407 1.636 151 HB2 PRO 21 HB2 PRO 21 -0.039 4.121 1.122 152 HB3 PRO 21 HB3 PRO 21 -0.863 2.770 0.337 153 HG2 PRO 21 HG2 PRO 21 -0.416 5.557 -0.671 154 HG3 PRO 21 HG3 PRO 21 -0.249 4.014 -1.533 155 HD2 PRO 21 HD2 PRO 21 -2.423 5.572 -1.837 156 HD3 PRO 21 HD3 PRO 21 -2.539 3.799 -1.855 157 H LYS 22 H LYS 22 -3.265 4.512 3.425 158 HA LYS 22 HA LYS 22 -2.444 7.254 3.906 159 HB2 LYS 22 HB2 LYS 22 -4.737 6.388 4.415 160 HB3 LYS 22 HB3 LYS 22 -4.035 5.365 5.660 161 HG2 LYS 22 HG2 LYS 22 -3.269 7.365 6.860 162 HG3 LYS 22 HG3 LYS 22 -3.997 8.380 5.613 163 HD2 LYS 22 HD2 LYS 22 -5.468 6.453 7.423 164 HD3 LYS 22 HD3 LYS 22 -5.456 8.210 7.570 165 HE2 LYS 22 HE2 LYS 22 -6.554 6.644 5.227 166 HE3 LYS 22 HE3 LYS 22 -7.512 7.402 6.499 167 HZ1 LYS 22 HZ1 LYS 22 -7.367 8.729 4.442 168 HZ2 LYS 22 HZ2 LYS 22 -5.699 8.879 4.669 169 HZ3 LYS 22 HZ3 LYS 22 -6.765 9.546 5.794 170 H TYR 23 H TYR 23 -0.471 7.659 4.757 171 HA TYR 23 HA TYR 23 1.027 5.567 6.084 172 HB2 TYR 23 HB2 TYR 23 2.260 6.907 4.541 173 HB3 TYR 23 HB3 TYR 23 1.699 8.401 5.280 174 HD1 TYR 23 HD1 TYR 23 3.657 5.327 6.186 175 HD2 TYR 23 HD2 TYR 23 3.143 9.521 6.711 176 HE1 TYR 23 HE1 TYR 23 5.677 5.397 7.592 177 HE2 TYR 23 HE2 TYR 23 5.157 9.599 8.113 178 HH TYR 23 HH TYR 23 6.542 8.212 9.422 179 H ASP 24 H ASP 24 1.354 5.305 8.193 180 HA ASP 24 HA ASP 24 0.748 7.530 10.040 181 HB2 ASP 24 HB2 ASP 24 -0.954 5.849 10.326 182 HB3 ASP 24 HB3 ASP 24 0.253 4.567 10.404 183 H GLU 25 H GLU 25 2.503 8.232 11.094 184 HA GLU 25 HA GLU 25 4.967 6.733 10.948 185 HB2 GLU 25 HB2 GLU 25 4.821 9.218 10.618 186 HB3 GLU 25 HB3 GLU 25 4.482 9.376 12.336 187 HG2 GLU 25 HG2 GLU 25 6.646 8.499 12.907 188 HG3 GLU 25 HG3 GLU 25 6.979 8.101 11.223 189 H GLU 26 H GLU 26 2.443 7.010 13.250 190 HA GLU 26 HA GLU 26 3.937 6.505 15.619 191 HB2 GLU 26 HB2 GLU 26 1.034 5.926 14.978 192 HB3 GLU 26 HB3 GLU 26 1.750 5.782 16.578 193 HG2 GLU 26 HG2 GLU 26 1.554 8.323 14.964 194 HG3 GLU 26 HG3 GLU 26 0.515 7.874 16.314 195 H SER 27 H SER 27 2.197 4.341 13.383 196 HA SER 27 HA SER 27 3.374 1.991 14.678 197 HB2 SER 27 HB2 SER 27 1.944 0.690 13.173 198 HB3 SER 27 HB3 SER 27 0.996 1.933 13.990 199 HG SER 27 HG SER 27 0.742 2.990 12.142 200 H GLY 28 H GLY 28 3.781 3.947 11.820 201 HA2 GLY 28 HA2 GLY 28 5.690 4.021 10.461 202 HA3 GLY 28 HA3 GLY 28 6.211 2.484 11.133 203 H PHE 29 H PHE 29 2.960 2.439 10.130 204 HA PHE 29 HA PHE 29 3.734 0.944 7.697 205 HB2 PHE 29 HB2 PHE 29 1.298 0.562 9.453 206 HB3 PHE 29 HB3 PHE 29 1.691 -0.383 8.024 207 HD1 PHE 29 HD1 PHE 29 3.968 -1.645 8.083 208 HD2 PHE 29 HD2 PHE 29 1.966 -0.184 11.541 209 HE1 PHE 29 HE1 PHE 29 5.217 -3.243 9.472 210 HE2 PHE 29 HE2 PHE 29 3.217 -1.773 12.938 211 HZ PHE 29 HZ PHE 29 4.845 -3.307 11.904 212 H TYR 30 H TYR 30 2.154 0.872 5.946 213 HA TYR 30 HA TYR 30 0.564 3.336 5.655 214 HB2 TYR 30 HB2 TYR 30 1.597 1.315 3.652 215 HB3 TYR 30 HB3 TYR 30 0.399 2.531 3.224 216 HD1 TYR 30 HD1 TYR 30 3.906 2.043 4.346 217 HD2 TYR 30 HD2 TYR 30 1.033 4.783 2.790 218 HE1 TYR 30 HE1 TYR 30 5.699 3.659 3.873 219 HE2 TYR 30 HE2 TYR 30 2.821 6.398 2.315 220 HH TYR 30 HH TYR 30 5.077 6.914 3.059 221 H GLU 31 H GLU 31 -1.641 3.259 5.649 222 HA GLU 31 HA GLU 31 -2.954 0.644 5.876 223 HB2 GLU 31 HB2 GLU 31 -3.990 3.440 6.438 224 HB3 GLU 31 HB3 GLU 31 -4.933 1.968 6.632 225 HG2 GLU 31 HG2 GLU 31 -3.311 1.189 8.326 226 HG3 GLU 31 HG3 GLU 31 -2.445 2.716 8.164 227 H PHE 32 H PHE 32 -3.872 -0.220 4.116 228 HA PHE 32 HA PHE 32 -5.323 1.487 2.233 229 HB2 PHE 32 HB2 PHE 32 -4.209 0.448 0.274 230 HB3 PHE 32 HB3 PHE 32 -3.092 1.388 1.254 231 HD1 PHE 32 HD1 PHE 32 -1.529 0.179 2.824 232 HD2 PHE 32 HD2 PHE 32 -3.834 -1.854 -0.131 233 HE1 PHE 32 HE1 PHE 32 -0.041 -1.764 3.006 234 HE2 PHE 32 HE2 PHE 32 -2.340 -3.805 0.051 235 HZ PHE 32 HZ PHE 32 -0.443 -3.759 1.622 236 H LYS 33 H LYS 33 -7.010 0.468 1.183 237 HA LYS 33 HA LYS 33 -7.692 -2.214 2.171 238 HB2 LYS 33 HB2 LYS 33 -9.305 -0.340 2.447 239 HB3 LYS 33 HB3 LYS 33 -9.405 -0.201 0.697 240 HG2 LYS 33 HG2 LYS 33 -10.271 -2.527 0.613 241 HG3 LYS 33 HG3 LYS 33 -10.272 -2.551 2.376 242 HD2 LYS 33 HD2 LYS 33 -11.839 -0.626 0.645 243 HD3 LYS 33 HD3 LYS 33 -12.500 -2.051 1.442 244 HE2 LYS 33 HE2 LYS 33 -13.070 -0.195 2.801 245 HE3 LYS 33 HE3 LYS 33 -11.763 -1.033 3.631 246 HZ1 LYS 33 HZ1 LYS 33 -10.236 0.631 3.000 247 HZ2 LYS 33 HZ2 LYS 33 -11.605 1.457 3.543 248 HZ3 LYS 33 HZ3 LYS 33 -11.299 1.319 1.883 249 H GLN 34 H GLN 34 -7.001 -3.844 0.901 250 HA GLN 34 HA GLN 34 -6.324 -3.662 -1.815 251 HB2 GLN 34 HB2 GLN 34 -7.121 -6.091 -0.193 252 HB3 GLN 34 HB3 GLN 34 -6.393 -6.158 -1.793 253 HG2 GLN 34 HG2 GLN 34 -4.391 -5.035 -0.915 254 HG3 GLN 34 HG3 GLN 34 -5.120 -5.012 0.691 255 HE21 GLN 34 HE21 GLN 34 -5.305 -6.957 1.841 256 HE22 GLN 34 HE22 GLN 34 -4.421 -8.371 1.391 257 H LEU 35 H LEU 35 -7.344 -4.897 -3.624 258 HA LEU 35 HA LEU 35 -9.890 -3.986 -4.260 259 HB2 LEU 35 HB2 LEU 35 -8.519 -6.463 -5.319 260 HB3 LEU 35 HB3 LEU 35 -9.882 -5.663 -6.075 261 HG LEU 35 HG LEU 35 -7.116 -4.493 -5.728 262 HD11 LEU 35 HD11 LEU 35 -6.976 -4.668 -8.161 263 HD12 LEU 35 HD12 LEU 35 -8.562 -5.439 -8.204 264 HD13 LEU 35 HD13 LEU 35 -7.207 -6.252 -7.419 265 HD21 LEU 35 HD21 LEU 35 -7.944 -2.641 -7.116 266 HD22 LEU 35 HD22 LEU 35 -8.810 -2.749 -5.584 267 HD23 LEU 35 HD23 LEU 35 -9.565 -3.334 -7.067 268 H ASP 36 H ASP 36 -8.968 -6.980 -2.657 269 HA ASP 36 HA ASP 36 -11.512 -8.257 -2.860 270 HB2 ASP 36 HB2 ASP 36 -9.381 -9.465 -2.510 271 HB3 ASP 36 HB3 ASP 36 -9.253 -8.761 -0.903 272 H GLY 37 H GLY 37 -10.501 -5.660 -0.957 273 HA2 GLY 37 HA2 GLY 37 -12.004 -4.490 0.493 274 HA3 GLY 37 HA3 GLY 37 -12.754 -6.022 0.915 275 H LYS 38 H LYS 38 -9.641 -6.811 0.977 276 HA LYS 38 HA LYS 38 -9.449 -6.700 3.833 277 HB2 LYS 38 HB2 LYS 38 -7.543 -7.663 1.698 278 HB3 LYS 38 HB3 LYS 38 -7.161 -7.724 3.414 279 HG2 LYS 38 HG2 LYS 38 -9.089 -9.168 3.805 280 HG3 LYS 38 HG3 LYS 38 -9.494 -9.099 2.088 281 HD2 LYS 38 HD2 LYS 38 -7.457 -10.231 1.495 282 HD3 LYS 38 HD3 LYS 38 -6.861 -10.135 3.155 283 HE2 LYS 38 HE2 LYS 38 -7.720 -12.374 2.590 284 HE3 LYS 38 HE3 LYS 38 -8.612 -11.622 3.912 285 HZ1 LYS 38 HZ1 LYS 38 -10.373 -11.057 2.389 286 HZ2 LYS 38 HZ2 LYS 38 -10.061 -12.717 2.291 287 HZ3 LYS 38 HZ3 LYS 38 -9.504 -11.678 1.076 288 H GLN 39 H GLN 39 -9.216 -4.650 4.621 289 HA GLN 39 HA GLN 39 -7.154 -2.890 3.596 290 HB2 GLN 39 HB2 GLN 39 -9.286 -1.980 4.452 291 HB3 GLN 39 HB3 GLN 39 -8.904 -2.604 6.053 292 HG2 GLN 39 HG2 GLN 39 -6.991 -1.125 6.216 293 HG3 GLN 39 HG3 GLN 39 -7.254 -0.559 4.568 294 HE21 GLN 39 HE21 GLN 39 -7.186 0.934 7.079 295 HE22 GLN 39 HE22 GLN 39 -8.695 1.763 7.173 296 H THR 40 H THR 40 -5.111 -3.472 4.001 297 HA THR 40 HA THR 40 -4.399 -4.327 6.743 298 HB THR 40 HB THR 40 -4.298 -6.271 5.242 299 HG1 THR 40 HG1 THR 40 -2.741 -6.060 6.952 300 HG21 THR 40 HG21 THR 40 -3.840 -5.094 3.128 301 HG22 THR 40 HG22 THR 40 -2.665 -6.378 3.421 302 HG23 THR 40 HG23 THR 40 -2.221 -4.695 3.704 303 H ARG 41 H ARG 41 -2.009 -4.080 7.185 304 HA ARG 41 HA ARG 41 -1.060 -1.532 6.026 305 HB2 ARG 41 HB2 ARG 41 -0.549 -2.589 8.813 306 HB3 ARG 41 HB3 ARG 41 -0.020 -1.040 8.172 307 HG2 ARG 41 HG2 ARG 41 -2.425 -0.418 7.887 308 HG3 ARG 41 HG3 ARG 41 -2.849 -1.912 8.727 309 HD2 ARG 41 HD2 ARG 41 -1.262 0.414 9.819 310 HD3 ARG 41 HD3 ARG 41 -2.878 -0.096 10.306 311 HE ARG 41 HE ARG 41 -1.056 -2.213 10.696 312 HH11 ARG 41 HH11 ARG 41 -1.900 0.855 12.014 313 HH12 ARG 41 HH12 ARG 41 -1.366 0.440 13.604 314 HH21 ARG 41 HH21 ARG 41 -0.316 -2.715 12.721 315 HH22 ARG 41 HH22 ARG 41 -0.448 -1.550 13.992 316 H ILE 42 H ILE 42 0.920 -1.490 5.126 317 HA ILE 42 HA ILE 42 2.761 -3.744 5.665 318 HB ILE 42 HB ILE 42 1.856 -3.682 3.329 319 HG12 ILE 42 HG12 ILE 42 4.847 -3.192 3.512 320 HG13 ILE 42 HG13 ILE 42 4.058 -4.713 3.913 321 HG21 ILE 42 HG21 ILE 42 1.697 -1.255 3.053 322 HG22 ILE 42 HG22 ILE 42 2.671 -1.975 1.771 323 HG23 ILE 42 HG23 ILE 42 3.454 -1.125 3.103 324 HD11 ILE 42 HD11 ILE 42 3.273 -4.902 1.605 325 HD12 ILE 42 HD12 ILE 42 5.031 -4.806 1.707 326 HD13 ILE 42 HD13 ILE 42 4.098 -3.393 1.209 327 H ASN 43 H ASN 43 5.040 -3.243 5.732 328 HA ASN 43 HA ASN 43 5.518 -0.852 7.207 329 HB2 ASN 43 HB2 ASN 43 6.622 -3.056 7.645 330 HB3 ASN 43 HB3 ASN 43 7.571 -2.820 6.179 331 HD21 ASN 43 HD21 ASN 43 9.485 -2.839 7.379 332 HD22 ASN 43 HD22 ASN 43 9.968 -1.495 8.348 333 H LYS 44 H LYS 44 6.875 0.886 6.751 334 HA LYS 44 HA LYS 44 6.484 2.011 4.218 335 HB2 LYS 44 HB2 LYS 44 7.911 3.861 4.992 336 HB3 LYS 44 HB3 LYS 44 6.721 3.385 6.197 337 HG2 LYS 44 HG2 LYS 44 8.369 2.297 7.527 338 HG3 LYS 44 HG3 LYS 44 9.579 2.430 6.248 339 HD2 LYS 44 HD2 LYS 44 9.585 4.859 6.480 340 HD3 LYS 44 HD3 LYS 44 8.325 4.763 7.711 341 HE2 LYS 44 HE2 LYS 44 11.062 3.511 7.960 342 HE3 LYS 44 HE3 LYS 44 10.623 5.082 8.625 343 HZ1 LYS 44 HZ1 LYS 44 9.342 2.501 9.350 344 HZ2 LYS 44 HZ2 LYS 44 8.972 4.015 10.006 345 HZ3 LYS 44 HZ3 LYS 44 10.490 3.320 10.279 346 H ASP 45 H ASP 45 8.990 -0.142 5.142 347 HA ASP 45 HA ASP 45 10.972 0.971 3.342 348 HB2 ASP 45 HB2 ASP 45 12.392 -0.898 4.054 349 HB3 ASP 45 HB3 ASP 45 11.713 -0.049 5.436 350 H GLN 46 H GLN 46 8.503 -1.460 3.194 351 HA GLN 46 HA GLN 46 9.666 -2.975 1.043 352 HB2 GLN 46 HB2 GLN 46 6.797 -2.956 2.009 353 HB3 GLN 46 HB3 GLN 46 7.545 -4.185 1.000 354 HG2 GLN 46 HG2 GLN 46 8.348 -3.553 3.835 355 HG3 GLN 46 HG3 GLN 46 7.285 -4.869 3.358 356 HE21 GLN 46 HE21 GLN 46 8.671 -6.425 4.230 357 HE22 GLN 46 HE22 GLN 46 10.175 -6.833 3.484 358 H VAL 47 H VAL 47 7.550 -0.199 1.217 359 HA VAL 47 HA VAL 47 6.449 -0.496 -1.413 360 HB VAL 47 HB VAL 47 5.174 0.704 0.241 361 HG11 VAL 47 HG11 VAL 47 7.391 2.759 0.281 362 HG12 VAL 47 HG12 VAL 47 7.009 1.627 1.578 363 HG13 VAL 47 HG13 VAL 47 5.850 2.879 1.130 364 HG21 VAL 47 HG21 VAL 47 6.104 2.581 -1.939 365 HG22 VAL 47 HG22 VAL 47 4.604 2.725 -1.023 366 HG23 VAL 47 HG23 VAL 47 4.852 1.348 -2.096 367 H ARG 48 H ARG 48 7.582 -0.276 -3.213 368 HA ARG 48 HA ARG 48 9.963 1.373 -3.373 369 HB2 ARG 48 HB2 ARG 48 9.603 -0.913 -4.496 370 HB3 ARG 48 HB3 ARG 48 8.604 -0.059 -5.663 371 HG2 ARG 48 HG2 ARG 48 10.580 1.385 -6.184 372 HG3 ARG 48 HG3 ARG 48 11.543 0.344 -5.131 373 HD2 ARG 48 HD2 ARG 48 10.705 -1.598 -6.575 374 HD3 ARG 48 HD3 ARG 48 10.176 -0.365 -7.719 375 HE ARG 48 HE ARG 48 12.984 -0.607 -6.853 376 HH11 ARG 48 HH11 ARG 48 10.644 -0.215 -9.356 377 HH12 ARG 48 HH12 ARG 48 11.833 -0.217 -10.605 378 HH21 ARG 48 HH21 ARG 48 14.478 -0.621 -8.468 379 HH22 ARG 48 HH22 ARG 48 13.973 -0.469 -10.117 380 H THR 49 H THR 49 6.976 1.182 -5.331 381 HA THR 49 HA THR 49 7.024 4.114 -5.682 382 HB THR 49 HB THR 49 6.362 3.844 -8.060 383 HG1 THR 49 HG1 THR 49 5.766 1.915 -8.680 384 HG21 THR 49 HG21 THR 49 8.715 4.238 -7.548 385 HG22 THR 49 HG22 THR 49 8.561 3.156 -8.932 386 HG23 THR 49 HG23 THR 49 8.977 2.505 -7.347 387 H VAL 50 H VAL 50 5.000 5.098 -6.110 388 HA VAL 50 HA VAL 50 2.620 3.408 -5.625 389 HB VAL 50 HB VAL 50 3.127 6.156 -4.443 390 HG11 VAL 50 HG11 VAL 50 0.774 4.291 -4.091 391 HG12 VAL 50 HG12 VAL 50 0.771 5.822 -4.967 392 HG13 VAL 50 HG13 VAL 50 1.027 5.807 -3.223 393 HG21 VAL 50 HG21 VAL 50 3.000 3.453 -3.089 394 HG22 VAL 50 HG22 VAL 50 3.163 5.009 -2.273 395 HG23 VAL 50 HG23 VAL 50 4.451 4.428 -3.328 396 H LYS 51 H LYS 51 1.251 3.545 -7.322 397 HA LYS 51 HA LYS 51 1.019 6.120 -8.772 398 HB2 LYS 51 HB2 LYS 51 1.014 3.341 -9.976 399 HB3 LYS 51 HB3 LYS 51 0.684 4.822 -10.863 400 HG2 LYS 51 HG2 LYS 51 2.951 5.603 -10.438 401 HG3 LYS 51 HG3 LYS 51 3.287 4.148 -9.493 402 HD2 LYS 51 HD2 LYS 51 2.977 2.755 -11.456 403 HD3 LYS 51 HD3 LYS 51 2.500 4.159 -12.415 404 HE2 LYS 51 HE2 LYS 51 5.208 3.723 -11.147 405 HE3 LYS 51 HE3 LYS 51 4.823 3.502 -12.854 406 HZ1 LYS 51 HZ1 LYS 51 4.272 5.850 -12.999 407 HZ2 LYS 51 HZ2 LYS 51 5.858 5.638 -12.454 408 HZ3 LYS 51 HZ3 LYS 51 4.643 6.063 -11.362 409 H ASP 52 H ASP 52 -1.024 6.866 -9.067 410 HA ASP 52 HA ASP 52 -3.282 5.281 -8.167 411 HB2 ASP 52 HB2 ASP 52 -3.079 8.099 -9.251 412 HB3 ASP 52 HB3 ASP 52 -4.598 7.353 -8.762 413 H LEU 53 H LEU 53 -4.628 4.142 -9.411 414 HA LEU 53 HA LEU 53 -3.970 3.549 -12.092 415 HB2 LEU 53 HB2 LEU 53 -6.515 2.945 -10.574 416 HB3 LEU 53 HB3 LEU 53 -6.030 2.193 -12.083 417 HG LEU 53 HG LEU 53 -4.578 1.935 -9.437 418 HD11 LEU 53 HD11 LEU 53 -6.228 -0.071 -10.979 419 HD12 LEU 53 HD12 LEU 53 -6.683 0.708 -9.465 420 HD13 LEU 53 HD13 LEU 53 -5.312 -0.398 -9.506 421 HD21 LEU 53 HD21 LEU 53 -3.009 1.870 -11.286 422 HD22 LEU 53 HD22 LEU 53 -4.004 0.677 -12.123 423 HD23 LEU 53 HD23 LEU 53 -3.209 0.255 -10.606 424 H LEU 54 H LEU 54 -6.014 5.999 -10.772 425 HA LEU 54 HA LEU 54 -7.804 6.335 -12.942 426 HB2 LEU 54 HB2 LEU 54 -6.909 8.307 -10.838 427 HB3 LEU 54 HB3 LEU 54 -8.246 8.571 -11.943 428 HG LEU 54 HG LEU 54 -8.103 6.394 -9.845 429 HD11 LEU 54 HD11 LEU 54 -9.772 8.908 -9.932 430 HD12 LEU 54 HD12 LEU 54 -8.381 8.630 -8.884 431 HD13 LEU 54 HD13 LEU 54 -9.836 7.653 -8.693 432 HD21 LEU 54 HD21 LEU 54 -9.379 5.672 -11.791 433 HD22 LEU 54 HD22 LEU 54 -10.340 7.153 -11.733 434 HD23 LEU 54 HD23 LEU 54 -10.452 5.975 -10.425 435 H GLU 55 H GLU 55 -4.509 7.260 -12.565 436 HA GLU 55 HA GLU 55 -4.712 9.290 -14.689 437 HB2 GLU 55 HB2 GLU 55 -2.346 8.641 -12.917 438 HB3 GLU 55 HB3 GLU 55 -2.490 10.010 -14.013 439 HG2 GLU 55 HG2 GLU 55 -4.309 10.915 -12.665 440 HG3 GLU 55 HG3 GLU 55 -4.205 9.529 -11.579 Start of MODEL 10 1 H1 MET 1 H1 MET 1 -11.946 12.365 -1.066 2 H2 MET 1 H2 MET 1 -10.540 11.701 -1.732 3 H3 MET 1 H3 MET 1 -11.221 11.019 -0.341 4 HA MET 1 HA MET 1 -13.190 10.387 -1.571 5 HB2 MET 1 HB2 MET 1 -11.650 11.476 -3.942 6 HB3 MET 1 HB3 MET 1 -13.141 10.549 -4.052 7 HG2 MET 1 HG2 MET 1 -12.830 13.227 -2.706 8 HG3 MET 1 HG3 MET 1 -13.541 12.943 -4.295 9 HE1 MET 1 HE1 MET 1 -15.200 10.282 -3.864 10 HE2 MET 1 HE2 MET 1 -15.829 11.702 -4.701 11 HE3 MET 1 HE3 MET 1 -16.773 10.940 -3.420 12 H ALA 2 H ALA 2 -13.187 8.474 -3.206 13 HA ALA 2 HA ALA 2 -10.854 6.812 -2.502 14 HB1 ALA 2 HB1 ALA 2 -13.660 5.958 -3.214 15 HB2 ALA 2 HB2 ALA 2 -12.985 6.054 -1.588 16 HB3 ALA 2 HB3 ALA 2 -12.338 4.889 -2.743 17 H SER 3 H SER 3 -9.495 6.251 -4.061 18 HA SER 3 HA SER 3 -10.494 5.611 -6.737 19 HB2 SER 3 HB2 SER 3 -8.164 7.498 -6.252 20 HB3 SER 3 HB3 SER 3 -8.647 6.862 -7.823 21 HG SER 3 HG SER 3 -10.644 7.951 -7.572 22 HA PRO 4 HA PRO 4 -7.915 2.087 -5.956 23 HB2 PRO 4 HB2 PRO 4 -7.562 1.271 -8.575 24 HB3 PRO 4 HB3 PRO 4 -8.985 0.908 -7.593 25 HG2 PRO 4 HG2 PRO 4 -8.582 3.069 -9.628 26 HG3 PRO 4 HG3 PRO 4 -9.997 2.032 -9.362 27 HD2 PRO 4 HD2 PRO 4 -9.940 4.565 -8.486 28 HD3 PRO 4 HD3 PRO 4 -10.724 3.283 -7.537 29 H THR 5 H THR 5 -5.794 1.925 -5.575 30 HA THR 5 HA THR 5 -3.869 3.321 -7.335 31 HB THR 5 HB THR 5 -3.777 3.355 -4.301 32 HG1 THR 5 HG1 THR 5 -4.076 5.678 -5.871 33 HG21 THR 5 HG21 THR 5 -1.549 3.382 -5.307 34 HG22 THR 5 HG22 THR 5 -1.931 4.955 -4.607 35 HG23 THR 5 HG23 THR 5 -2.023 4.723 -6.352 36 H VAL 6 H VAL 6 -2.002 2.194 -7.773 37 HA VAL 6 HA VAL 6 -1.770 -0.479 -6.578 38 HB VAL 6 HB VAL 6 -1.861 -0.439 -9.012 39 HG11 VAL 6 HG11 VAL 6 -0.912 1.767 -9.434 40 HG12 VAL 6 HG12 VAL 6 -0.061 0.533 -10.362 41 HG13 VAL 6 HG13 VAL 6 0.674 1.203 -8.904 42 HG21 VAL 6 HG21 VAL 6 0.135 -1.785 -9.486 43 HG22 VAL 6 HG22 VAL 6 -0.577 -2.216 -7.932 44 HG23 VAL 6 HG23 VAL 6 0.877 -1.219 -7.990 45 H ILE 7 H ILE 7 -0.311 -0.875 -5.074 46 HA ILE 7 HA ILE 7 1.954 0.955 -4.684 47 HB ILE 7 HB ILE 7 0.932 -1.259 -2.884 48 HG12 ILE 7 HG12 ILE 7 0.604 1.751 -2.652 49 HG13 ILE 7 HG13 ILE 7 -0.665 0.619 -3.109 50 HG21 ILE 7 HG21 ILE 7 2.393 -0.251 -1.171 51 HG22 ILE 7 HG22 ILE 7 3.013 0.878 -2.376 52 HG23 ILE 7 HG23 ILE 7 3.310 -0.851 -2.553 53 HD11 ILE 7 HD11 ILE 7 -0.907 1.266 -0.801 54 HD12 ILE 7 HD12 ILE 7 0.741 0.745 -0.450 55 HD13 ILE 7 HD13 ILE 7 -0.483 -0.443 -0.902 56 H THR 8 H THR 8 3.735 0.398 -5.798 57 HA THR 8 HA THR 8 4.346 -2.414 -6.332 58 HB THR 8 HB THR 8 5.847 0.075 -7.198 59 HG1 THR 8 HG1 THR 8 3.538 -0.957 -8.057 60 HG21 THR 8 HG21 THR 8 7.274 -1.919 -7.183 61 HG22 THR 8 HG22 THR 8 6.923 -1.411 -8.835 62 HG23 THR 8 HG23 THR 8 6.075 -2.793 -8.139 63 H LEU 9 H LEU 9 5.716 -3.576 -5.128 64 HA LEU 9 HA LEU 9 7.054 -2.275 -2.884 65 HB2 LEU 9 HB2 LEU 9 6.807 -5.219 -3.525 66 HB3 LEU 9 HB3 LEU 9 7.348 -4.523 -2.007 67 HG LEU 9 HG LEU 9 4.560 -4.349 -3.168 68 HD11 LEU 9 HD11 LEU 9 5.085 -6.531 -2.229 69 HD12 LEU 9 HD12 LEU 9 3.929 -5.676 -1.209 70 HD13 LEU 9 HD13 LEU 9 5.624 -5.775 -0.728 71 HD21 LEU 9 HD21 LEU 9 5.662 -3.172 -0.612 72 HD22 LEU 9 HD22 LEU 9 3.959 -3.212 -1.072 73 HD23 LEU 9 HD23 LEU 9 5.106 -2.274 -2.026 74 H ASN 10 H ASN 10 9.265 -2.745 -2.303 75 HA ASN 10 HA ASN 10 11.181 -2.473 -4.313 76 HB2 ASN 10 HB2 ASN 10 11.604 -1.924 -1.949 77 HB3 ASN 10 HB3 ASN 10 11.530 -3.630 -1.527 78 HD21 ASN 10 HD21 ASN 10 13.248 -4.974 -2.085 79 HD22 ASN 10 HD22 ASN 10 14.783 -4.348 -2.568 80 H ASP 11 H ASP 11 9.795 -5.346 -2.880 81 HA ASP 11 HA ASP 11 11.465 -7.338 -3.879 82 HB2 ASP 11 HB2 ASP 11 9.672 -7.746 -2.252 83 HB3 ASP 11 HB3 ASP 11 8.459 -7.370 -3.472 84 H GLY 12 H GLY 12 8.916 -5.508 -5.481 85 HA2 GLY 12 HA2 GLY 12 9.053 -5.335 -7.946 86 HA3 GLY 12 HA3 GLY 12 9.348 -7.067 -7.968 87 H ARG 13 H ARG 13 7.316 -7.370 -5.750 88 HA ARG 13 HA ARG 13 5.047 -7.968 -7.319 89 HB2 ARG 13 HB2 ARG 13 5.551 -9.152 -5.238 90 HB3 ARG 13 HB3 ARG 13 5.320 -7.672 -4.316 91 HG2 ARG 13 HG2 ARG 13 2.950 -7.633 -5.025 92 HG3 ARG 13 HG3 ARG 13 3.200 -9.166 -5.860 93 HD2 ARG 13 HD2 ARG 13 3.784 -10.230 -3.726 94 HD3 ARG 13 HD3 ARG 13 3.542 -8.693 -2.894 95 HE ARG 13 HE ARG 13 1.275 -9.692 -4.405 96 HH11 ARG 13 HH11 ARG 13 2.819 -9.494 -1.333 97 HH12 ARG 13 HH12 ARG 13 1.362 -9.822 -0.460 98 HH21 ARG 13 HH21 ARG 13 -0.586 -10.103 -3.274 99 HH22 ARG 13 HH22 ARG 13 -0.550 -10.128 -1.546 100 H GLU 14 H GLU 14 3.115 -6.912 -7.651 101 HA GLU 14 HA GLU 14 2.893 -4.143 -6.636 102 HB2 GLU 14 HB2 GLU 14 1.667 -5.405 -9.100 103 HB3 GLU 14 HB3 GLU 14 1.400 -3.748 -8.577 104 HG2 GLU 14 HG2 GLU 14 3.750 -3.234 -8.919 105 HG3 GLU 14 HG3 GLU 14 4.068 -4.908 -9.371 106 H ILE 15 H ILE 15 1.220 -3.641 -5.312 107 HA ILE 15 HA ILE 15 -0.967 -5.611 -5.012 108 HB ILE 15 HB ILE 15 -0.053 -3.500 -3.033 109 HG12 ILE 15 HG12 ILE 15 0.323 -6.513 -2.990 110 HG13 ILE 15 HG13 ILE 15 1.589 -5.336 -3.321 111 HG21 ILE 15 HG21 ILE 15 -2.093 -5.717 -2.750 112 HG22 ILE 15 HG22 ILE 15 -2.433 -3.988 -2.829 113 HG23 ILE 15 HG23 ILE 15 -1.553 -4.652 -1.453 114 HD11 ILE 15 HD11 ILE 15 0.086 -5.637 -0.728 115 HD12 ILE 15 HD12 ILE 15 1.340 -4.441 -1.057 116 HD13 ILE 15 HD13 ILE 15 1.738 -6.158 -1.051 117 H GLN 16 H GLN 16 -3.016 -5.014 -5.512 118 HA GLN 16 HA GLN 16 -3.427 -2.250 -6.438 119 HB2 GLN 16 HB2 GLN 16 -5.084 -4.729 -6.977 120 HB3 GLN 16 HB3 GLN 16 -5.343 -3.139 -7.689 121 HG2 GLN 16 HG2 GLN 16 -3.162 -3.275 -8.796 122 HG3 GLN 16 HG3 GLN 16 -2.893 -4.861 -8.078 123 HE21 GLN 16 HE21 GLN 16 -5.971 -3.753 -9.354 124 HE22 GLN 16 HE22 GLN 16 -6.015 -4.841 -10.691 125 H ALA 17 H ALA 17 -4.347 -0.907 -5.016 126 HA ALA 17 HA ALA 17 -6.284 -1.950 -3.053 127 HB1 ALA 17 HB1 ALA 17 -4.719 0.633 -3.038 128 HB2 ALA 17 HB2 ALA 17 -4.346 -0.820 -2.109 129 HB3 ALA 17 HB3 ALA 17 -5.821 0.087 -1.773 130 H VAL 18 H VAL 18 -8.158 -0.549 -2.513 131 HA VAL 18 HA VAL 18 -9.389 0.479 -4.957 132 HB VAL 18 HB VAL 18 -11.504 0.456 -3.711 133 HG11 VAL 18 HG11 VAL 18 -9.937 -2.111 -3.409 134 HG12 VAL 18 HG12 VAL 18 -10.774 -1.577 -4.866 135 HG13 VAL 18 HG13 VAL 18 -11.695 -1.966 -3.412 136 HG21 VAL 18 HG21 VAL 18 -9.821 -0.498 -1.384 137 HG22 VAL 18 HG22 VAL 18 -11.586 -0.488 -1.430 138 HG23 VAL 18 HG23 VAL 18 -10.693 1.032 -1.492 139 H ASP 19 H ASP 19 -7.978 1.737 -2.080 140 HA ASP 19 HA ASP 19 -8.808 4.430 -2.897 141 HB2 ASP 19 HB2 ASP 19 -8.953 5.093 -0.470 142 HB3 ASP 19 HB3 ASP 19 -10.230 4.021 -1.028 143 H THR 20 H THR 20 -7.419 6.096 -1.476 144 HA THR 20 HA THR 20 -4.748 5.654 -2.453 145 HB THR 20 HB THR 20 -4.292 7.950 -1.622 146 HG1 THR 20 HG1 THR 20 -5.809 7.785 0.198 147 HG21 THR 20 HG21 THR 20 -5.257 7.657 -3.856 148 HG22 THR 20 HG22 THR 20 -5.867 9.130 -3.100 149 HG23 THR 20 HG23 THR 20 -6.881 7.688 -3.169 150 HA PRO 21 HA PRO 21 -3.173 3.740 1.215 151 HB2 PRO 21 HB2 PRO 21 -0.487 4.213 0.773 152 HB3 PRO 21 HB3 PRO 21 -1.419 2.904 0.040 153 HG2 PRO 21 HG2 PRO 21 -0.668 5.567 -1.100 154 HG3 PRO 21 HG3 PRO 21 -0.691 3.975 -1.883 155 HD2 PRO 21 HD2 PRO 21 -2.654 5.774 -2.283 156 HD3 PRO 21 HD3 PRO 21 -2.987 4.030 -2.218 157 H LYS 22 H LYS 22 -3.190 4.468 3.184 158 HA LYS 22 HA LYS 22 -2.392 7.206 3.847 159 HB2 LYS 22 HB2 LYS 22 -4.546 6.544 4.650 160 HB3 LYS 22 HB3 LYS 22 -3.920 5.034 5.288 161 HG2 LYS 22 HG2 LYS 22 -2.598 6.390 6.946 162 HG3 LYS 22 HG3 LYS 22 -3.487 7.809 6.379 163 HD2 LYS 22 HD2 LYS 22 -5.581 6.849 7.056 164 HD3 LYS 22 HD3 LYS 22 -4.812 5.305 7.425 165 HE2 LYS 22 HE2 LYS 22 -3.461 6.527 9.172 166 HE3 LYS 22 HE3 LYS 22 -4.512 7.920 8.895 167 HZ1 LYS 22 HZ1 LYS 22 -5.463 5.225 9.700 168 HZ2 LYS 22 HZ2 LYS 22 -6.403 6.627 9.556 169 HZ3 LYS 22 HZ3 LYS 22 -5.226 6.516 10.768 170 H TYR 23 H TYR 23 -0.690 7.694 5.288 171 HA TYR 23 HA TYR 23 0.958 5.379 6.118 172 HB2 TYR 23 HB2 TYR 23 2.139 6.902 4.603 173 HB3 TYR 23 HB3 TYR 23 1.817 8.252 5.689 174 HD1 TYR 23 HD1 TYR 23 3.292 4.807 5.901 175 HD2 TYR 23 HD2 TYR 23 3.589 8.901 7.057 176 HE1 TYR 23 HE1 TYR 23 5.358 4.307 7.130 177 HE2 TYR 23 HE2 TYR 23 5.660 8.406 8.288 178 HH TYR 23 HH TYR 23 6.767 6.483 9.328 179 H ASP 24 H ASP 24 1.348 4.991 8.205 180 HA ASP 24 HA ASP 24 0.538 7.009 10.208 181 HB2 ASP 24 HB2 ASP 24 -0.717 4.841 10.241 182 HB3 ASP 24 HB3 ASP 24 0.799 4.008 10.579 183 H GLU 25 H GLU 25 2.259 8.043 11.082 184 HA GLU 25 HA GLU 25 4.933 7.073 10.760 185 HB2 GLU 25 HB2 GLU 25 4.431 9.467 10.730 186 HB3 GLU 25 HB3 GLU 25 3.883 9.391 12.398 187 HG2 GLU 25 HG2 GLU 25 6.173 8.737 13.083 188 HG3 GLU 25 HG3 GLU 25 6.695 8.922 11.410 189 H GLU 26 H GLU 26 2.641 7.085 13.421 190 HA GLU 26 HA GLU 26 4.387 6.566 15.553 191 HB2 GLU 26 HB2 GLU 26 1.508 5.686 15.227 192 HB3 GLU 26 HB3 GLU 26 2.396 5.721 16.744 193 HG2 GLU 26 HG2 GLU 26 1.678 8.096 15.034 194 HG3 GLU 26 HG3 GLU 26 0.933 7.640 16.567 195 H SER 27 H SER 27 2.516 4.255 13.587 196 HA SER 27 HA SER 27 3.938 2.007 14.784 197 HB2 SER 27 HB2 SER 27 1.465 1.939 14.335 198 HB3 SER 27 HB3 SER 27 1.827 1.951 12.609 199 HG SER 27 HG SER 27 2.686 -0.015 14.486 200 H GLY 28 H GLY 28 4.052 3.916 11.875 201 HA2 GLY 28 HA2 GLY 28 5.834 4.009 10.369 202 HA3 GLY 28 HA3 GLY 28 6.483 2.539 11.074 203 H PHE 29 H PHE 29 3.205 2.256 10.233 204 HA PHE 29 HA PHE 29 3.942 0.710 7.824 205 HB2 PHE 29 HB2 PHE 29 1.643 0.347 9.766 206 HB3 PHE 29 HB3 PHE 29 1.830 -0.571 8.275 207 HD1 PHE 29 HD1 PHE 29 3.783 -2.103 8.016 208 HD2 PHE 29 HD2 PHE 29 2.856 -0.234 11.717 209 HE1 PHE 29 HE1 PHE 29 5.189 -3.744 9.190 210 HE2 PHE 29 HE2 PHE 29 4.258 -1.870 12.902 211 HZ PHE 29 HZ PHE 29 5.426 -3.629 11.636 212 H TYR 30 H TYR 30 2.317 0.593 6.108 213 HA TYR 30 HA TYR 30 0.750 3.063 5.798 214 HB2 TYR 30 HB2 TYR 30 1.744 0.984 3.844 215 HB3 TYR 30 HB3 TYR 30 0.481 2.124 3.397 216 HD1 TYR 30 HD1 TYR 30 4.056 1.773 4.254 217 HD2 TYR 30 HD2 TYR 30 0.986 4.444 2.990 218 HE1 TYR 30 HE1 TYR 30 5.760 3.430 3.616 219 HE2 TYR 30 HE2 TYR 30 2.684 6.101 2.355 220 HH TYR 30 HH TYR 30 5.041 6.652 2.951 221 H GLU 31 H GLU 31 -1.447 3.042 5.730 222 HA GLU 31 HA GLU 31 -2.854 0.487 6.058 223 HB2 GLU 31 HB2 GLU 31 -3.770 3.360 6.384 224 HB3 GLU 31 HB3 GLU 31 -4.831 1.971 6.556 225 HG2 GLU 31 HG2 GLU 31 -3.566 1.192 8.467 226 HG3 GLU 31 HG3 GLU 31 -2.400 2.500 8.261 227 H PHE 32 H PHE 32 -3.660 -0.442 4.270 228 HA PHE 32 HA PHE 32 -4.927 1.226 2.228 229 HB2 PHE 32 HB2 PHE 32 -3.795 0.079 0.379 230 HB3 PHE 32 HB3 PHE 32 -2.633 0.909 1.407 231 HD1 PHE 32 HD1 PHE 32 -1.279 -0.450 3.055 232 HD2 PHE 32 HD2 PHE 32 -3.637 -2.243 -0.012 233 HE1 PHE 32 HE1 PHE 32 -0.002 -2.536 3.291 234 HE2 PHE 32 HE2 PHE 32 -2.361 -4.332 0.230 235 HZ PHE 32 HZ PHE 32 -0.539 -4.482 1.883 236 H LYS 33 H LYS 33 -6.343 0.046 0.790 237 HA LYS 33 HA LYS 33 -7.353 -2.442 2.027 238 HB2 LYS 33 HB2 LYS 33 -8.809 -0.458 2.361 239 HB3 LYS 33 HB3 LYS 33 -8.957 -0.299 0.617 240 HG2 LYS 33 HG2 LYS 33 -10.017 -2.520 0.524 241 HG3 LYS 33 HG3 LYS 33 -9.905 -2.631 2.280 242 HD2 LYS 33 HD2 LYS 33 -11.451 -0.537 0.737 243 HD3 LYS 33 HD3 LYS 33 -12.148 -1.941 1.539 244 HE2 LYS 33 HE2 LYS 33 -12.505 -0.135 3.011 245 HE3 LYS 33 HE3 LYS 33 -11.149 -1.027 3.694 246 HZ1 LYS 33 HZ1 LYS 33 -10.916 1.445 3.655 247 HZ2 LYS 33 HZ2 LYS 33 -10.812 1.365 1.970 248 HZ3 LYS 33 HZ3 LYS 33 -9.638 0.612 2.928 249 H GLN 34 H GLN 34 -6.869 -4.111 0.756 250 HA GLN 34 HA GLN 34 -6.278 -4.019 -1.989 251 HB2 GLN 34 HB2 GLN 34 -7.272 -6.390 -0.381 252 HB3 GLN 34 HB3 GLN 34 -6.426 -6.467 -1.923 253 HG2 GLN 34 HG2 GLN 34 -4.422 -5.549 -0.902 254 HG3 GLN 34 HG3 GLN 34 -5.265 -5.365 0.635 255 HE21 GLN 34 HE21 GLN 34 -5.737 -7.213 1.856 256 HE22 GLN 34 HE22 GLN 34 -4.965 -8.729 1.561 257 H LEU 35 H LEU 35 -7.479 -5.078 -3.765 258 HA LEU 35 HA LEU 35 -9.951 -3.952 -4.264 259 HB2 LEU 35 HB2 LEU 35 -8.840 -6.504 -5.446 260 HB3 LEU 35 HB3 LEU 35 -10.169 -5.577 -6.119 261 HG LEU 35 HG LEU 35 -7.304 -4.636 -5.860 262 HD11 LEU 35 HD11 LEU 35 -7.296 -4.728 -8.309 263 HD12 LEU 35 HD12 LEU 35 -8.922 -5.411 -8.288 264 HD13 LEU 35 HD13 LEU 35 -7.576 -6.316 -7.596 265 HD21 LEU 35 HD21 LEU 35 -8.022 -2.670 -7.112 266 HD22 LEU 35 HD22 LEU 35 -8.896 -2.793 -5.586 267 HD23 LEU 35 HD23 LEU 35 -9.689 -3.249 -7.094 268 H ASP 36 H ASP 36 -9.288 -6.923 -2.556 269 HA ASP 36 HA ASP 36 -11.939 -7.998 -2.708 270 HB2 ASP 36 HB2 ASP 36 -9.803 -8.634 -0.659 271 HB3 ASP 36 HB3 ASP 36 -11.157 -9.654 -1.138 272 H GLY 37 H GLY 37 -11.084 -5.214 -1.299 273 HA2 GLY 37 HA2 GLY 37 -12.111 -3.895 0.300 274 HA3 GLY 37 HA3 GLY 37 -13.235 -5.211 0.604 275 H LYS 38 H LYS 38 -9.865 -5.882 0.781 276 HA LYS 38 HA LYS 38 -10.079 -6.305 3.682 277 HB2 LYS 38 HB2 LYS 38 -8.052 -7.308 1.664 278 HB3 LYS 38 HB3 LYS 38 -8.043 -7.700 3.378 279 HG2 LYS 38 HG2 LYS 38 -10.161 -8.865 3.155 280 HG3 LYS 38 HG3 LYS 38 -10.251 -8.410 1.450 281 HD2 LYS 38 HD2 LYS 38 -8.276 -9.716 0.947 282 HD3 LYS 38 HD3 LYS 38 -8.035 -10.078 2.657 283 HE2 LYS 38 HE2 LYS 38 -10.417 -10.935 1.011 284 HE3 LYS 38 HE3 LYS 38 -9.045 -11.961 1.426 285 HZ1 LYS 38 HZ1 LYS 38 -9.593 -11.714 3.757 286 HZ2 LYS 38 HZ2 LYS 38 -10.922 -12.322 2.907 287 HZ3 LYS 38 HZ3 LYS 38 -10.890 -10.701 3.380 288 H GLN 39 H GLN 39 -9.279 -4.682 4.948 289 HA GLN 39 HA GLN 39 -7.129 -2.984 3.913 290 HB2 GLN 39 HB2 GLN 39 -9.130 -1.973 5.045 291 HB3 GLN 39 HB3 GLN 39 -8.606 -2.729 6.545 292 HG2 GLN 39 HG2 GLN 39 -6.488 -1.456 6.404 293 HG3 GLN 39 HG3 GLN 39 -7.098 -0.655 4.958 294 HE21 GLN 39 HE21 GLN 39 -7.055 1.378 5.866 295 HE22 GLN 39 HE22 GLN 39 -8.146 1.874 7.108 296 H THR 40 H THR 40 -5.057 -3.271 4.440 297 HA THR 40 HA THR 40 -4.322 -4.496 6.995 298 HB THR 40 HB THR 40 -4.414 -6.416 5.467 299 HG1 THR 40 HG1 THR 40 -2.416 -7.204 6.016 300 HG21 THR 40 HG21 THR 40 -2.864 -6.585 3.563 301 HG22 THR 40 HG22 THR 40 -2.358 -4.915 3.830 302 HG23 THR 40 HG23 THR 40 -4.016 -5.268 3.343 303 H ARG 41 H ARG 41 -1.861 -4.412 7.290 304 HA ARG 41 HA ARG 41 -0.934 -1.813 6.231 305 HB2 ARG 41 HB2 ARG 41 -0.331 -3.050 8.924 306 HB3 ARG 41 HB3 ARG 41 0.268 -1.501 8.349 307 HG2 ARG 41 HG2 ARG 41 -2.021 -0.633 8.280 308 HG3 ARG 41 HG3 ARG 41 -2.629 -2.191 8.847 309 HD2 ARG 41 HD2 ARG 41 -0.822 -0.280 10.339 310 HD3 ARG 41 HD3 ARG 41 -2.493 -0.697 10.728 311 HE ARG 41 HE ARG 41 -1.499 -3.065 10.976 312 HH11 ARG 41 HH11 ARG 41 0.011 -0.125 11.926 313 HH12 ARG 41 HH12 ARG 41 1.063 -0.893 13.057 314 HH21 ARG 41 HH21 ARG 41 -0.180 -4.051 12.434 315 HH22 ARG 41 HH22 ARG 41 0.962 -3.118 13.340 316 H ILE 42 H ILE 42 1.107 -1.606 5.436 317 HA ILE 42 HA ILE 42 2.967 -3.888 5.712 318 HB ILE 42 HB ILE 42 1.950 -3.820 3.432 319 HG12 ILE 42 HG12 ILE 42 4.915 -3.182 3.463 320 HG13 ILE 42 HG13 ILE 42 4.225 -4.753 3.862 321 HG21 ILE 42 HG21 ILE 42 1.659 -1.396 3.237 322 HG22 ILE 42 HG22 ILE 42 2.573 -2.041 1.875 323 HG23 ILE 42 HG23 ILE 42 3.410 -1.184 3.171 324 HD11 ILE 42 HD11 ILE 42 5.083 -4.725 1.604 325 HD12 ILE 42 HD12 ILE 42 4.042 -3.361 1.201 326 HD13 ILE 42 HD13 ILE 42 3.330 -4.926 1.597 327 H ASN 43 H ASN 43 5.218 -3.343 5.844 328 HA ASN 43 HA ASN 43 5.613 -0.931 7.299 329 HB2 ASN 43 HB2 ASN 43 6.816 -3.075 7.753 330 HB3 ASN 43 HB3 ASN 43 7.761 -2.805 6.290 331 HD21 ASN 43 HD21 ASN 43 9.700 -2.653 7.411 332 HD22 ASN 43 HD22 ASN 43 10.094 -1.299 8.409 333 H LYS 44 H LYS 44 6.895 0.810 6.905 334 HA LYS 44 HA LYS 44 6.592 2.128 4.505 335 HB2 LYS 44 HB2 LYS 44 8.290 3.728 5.456 336 HB3 LYS 44 HB3 LYS 44 6.956 3.324 6.533 337 HG2 LYS 44 HG2 LYS 44 8.490 1.555 7.529 338 HG3 LYS 44 HG3 LYS 44 9.798 2.345 6.649 339 HD2 LYS 44 HD2 LYS 44 9.425 4.407 7.856 340 HD3 LYS 44 HD3 LYS 44 7.989 3.732 8.634 341 HE2 LYS 44 HE2 LYS 44 10.839 2.792 8.991 342 HE3 LYS 44 HE3 LYS 44 9.874 3.684 10.169 343 HZ1 LYS 44 HZ1 LYS 44 9.958 1.290 10.620 344 HZ2 LYS 44 HZ2 LYS 44 9.203 0.976 9.140 345 HZ3 LYS 44 HZ3 LYS 44 8.383 1.827 10.349 346 H ASP 45 H ASP 45 9.194 -0.064 5.354 347 HA ASP 45 HA ASP 45 11.073 1.029 3.459 348 HB2 ASP 45 HB2 ASP 45 12.486 -0.900 4.083 349 HB3 ASP 45 HB3 ASP 45 11.897 -0.022 5.490 350 H GLN 46 H GLN 46 8.521 -1.284 3.285 351 HA GLN 46 HA GLN 46 9.597 -2.832 1.115 352 HB2 GLN 46 HB2 GLN 46 6.828 -2.666 2.310 353 HB3 GLN 46 HB3 GLN 46 7.263 -3.779 1.022 354 HG2 GLN 46 HG2 GLN 46 8.655 -3.731 3.693 355 HG3 GLN 46 HG3 GLN 46 7.244 -4.728 3.352 356 HE21 GLN 46 HE21 GLN 46 8.373 -6.634 3.676 357 HE22 GLN 46 HE22 GLN 46 9.546 -7.222 2.556 358 H VAL 47 H VAL 47 7.755 0.120 1.272 359 HA VAL 47 HA VAL 47 6.517 -0.186 -1.302 360 HB VAL 47 HB VAL 47 5.412 1.171 0.369 361 HG11 VAL 47 HG11 VAL 47 7.771 3.049 0.173 362 HG12 VAL 47 HG12 VAL 47 7.350 2.045 1.560 363 HG13 VAL 47 HG13 VAL 47 6.282 3.358 1.067 364 HG21 VAL 47 HG21 VAL 47 6.335 2.849 -1.968 365 HG22 VAL 47 HG22 VAL 47 4.894 3.139 -0.993 366 HG23 VAL 47 HG23 VAL 47 5.009 1.686 -1.987 367 H ARG 48 H ARG 48 7.601 -0.142 -3.140 368 HA ARG 48 HA ARG 48 10.031 1.393 -3.509 369 HB2 ARG 48 HB2 ARG 48 9.723 -0.864 -4.510 370 HB3 ARG 48 HB3 ARG 48 8.435 -0.222 -5.516 371 HG2 ARG 48 HG2 ARG 48 10.028 1.252 -6.637 372 HG3 ARG 48 HG3 ARG 48 11.324 0.649 -5.602 373 HD2 ARG 48 HD2 ARG 48 10.979 -1.615 -6.497 374 HD3 ARG 48 HD3 ARG 48 9.701 -0.998 -7.544 375 HE ARG 48 HE ARG 48 12.122 0.414 -7.974 376 HH11 ARG 48 HH11 ARG 48 10.635 -2.629 -8.603 377 HH12 ARG 48 HH12 ARG 48 11.521 -2.880 -10.060 378 HH21 ARG 48 HH21 ARG 48 13.269 0.063 -9.844 379 HH22 ARG 48 HH22 ARG 48 12.995 -1.382 -10.753 380 H THR 49 H THR 49 6.896 1.295 -5.240 381 HA THR 49 HA THR 49 6.952 4.229 -5.525 382 HB THR 49 HB THR 49 6.181 4.094 -7.877 383 HG1 THR 49 HG1 THR 49 6.872 1.788 -8.748 384 HG21 THR 49 HG21 THR 49 8.566 4.456 -7.467 385 HG22 THR 49 HG22 THR 49 8.315 3.494 -8.925 386 HG23 THR 49 HG23 THR 49 8.835 2.712 -7.431 387 H VAL 50 H VAL 50 4.888 5.203 -5.816 388 HA VAL 50 HA VAL 50 2.549 3.412 -5.505 389 HB VAL 50 HB VAL 50 2.932 6.105 -4.163 390 HG11 VAL 50 HG11 VAL 50 0.590 4.195 -4.063 391 HG12 VAL 50 HG12 VAL 50 0.611 5.790 -4.816 392 HG13 VAL 50 HG13 VAL 50 0.773 5.640 -3.067 393 HG21 VAL 50 HG21 VAL 50 4.220 4.362 -3.053 394 HG22 VAL 50 HG22 VAL 50 2.795 3.326 -2.980 395 HG23 VAL 50 HG23 VAL 50 2.842 4.828 -2.057 396 H LYS 51 H LYS 51 1.491 3.516 -7.423 397 HA LYS 51 HA LYS 51 1.002 6.197 -8.578 398 HB2 LYS 51 HB2 LYS 51 1.456 3.607 -10.079 399 HB3 LYS 51 HB3 LYS 51 0.935 5.115 -10.821 400 HG2 LYS 51 HG2 LYS 51 3.051 6.165 -9.965 401 HG3 LYS 51 HG3 LYS 51 3.576 4.551 -9.479 402 HD2 LYS 51 HD2 LYS 51 2.841 5.388 -12.290 403 HD3 LYS 51 HD3 LYS 51 4.484 5.211 -11.675 404 HE2 LYS 51 HE2 LYS 51 4.205 2.856 -11.385 405 HE3 LYS 51 HE3 LYS 51 2.472 2.960 -11.707 406 HZ1 LYS 51 HZ1 LYS 51 3.670 2.133 -13.630 407 HZ2 LYS 51 HZ2 LYS 51 4.636 3.522 -13.667 408 HZ3 LYS 51 HZ3 LYS 51 2.980 3.638 -13.975 409 H ASP 52 H ASP 52 -1.027 6.612 -9.446 410 HA ASP 52 HA ASP 52 -3.166 5.068 -8.258 411 HB2 ASP 52 HB2 ASP 52 -3.239 7.582 -9.946 412 HB3 ASP 52 HB3 ASP 52 -4.608 6.898 -9.073 413 H LEU 53 H LEU 53 -4.629 3.786 -9.284 414 HA LEU 53 HA LEU 53 -4.111 2.911 -11.970 415 HB2 LEU 53 HB2 LEU 53 -6.398 2.260 -10.099 416 HB3 LEU 53 HB3 LEU 53 -6.093 1.452 -11.627 417 HG LEU 53 HG LEU 53 -4.253 1.421 -9.221 418 HD11 LEU 53 HD11 LEU 53 -4.839 -0.961 -9.082 419 HD12 LEU 53 HD12 LEU 53 -6.016 -0.742 -10.378 420 HD13 LEU 53 HD13 LEU 53 -6.239 0.082 -8.833 421 HD21 LEU 53 HD21 LEU 53 -2.970 -0.242 -10.489 422 HD22 LEU 53 HD22 LEU 53 -2.994 1.325 -11.298 423 HD23 LEU 53 HD23 LEU 53 -4.020 0.014 -11.884 424 H LEU 54 H LEU 54 -6.248 5.232 -10.504 425 HA LEU 54 HA LEU 54 -7.331 5.839 -13.186 426 HB2 LEU 54 HB2 LEU 54 -8.609 6.280 -10.487 427 HB3 LEU 54 HB3 LEU 54 -9.219 6.985 -11.973 428 HG LEU 54 HG LEU 54 -9.061 4.035 -11.319 429 HD11 LEU 54 HD11 LEU 54 -11.435 5.867 -11.689 430 HD12 LEU 54 HD12 LEU 54 -10.851 5.220 -10.155 431 HD13 LEU 54 HD13 LEU 54 -11.498 4.131 -11.380 432 HD21 LEU 54 HD21 LEU 54 -8.618 4.388 -13.690 433 HD22 LEU 54 HD22 LEU 54 -10.058 5.398 -13.827 434 HD23 LEU 54 HD23 LEU 54 -10.216 3.680 -13.458 435 H GLU 55 H GLU 55 -5.562 7.168 -13.698 436 HA GLU 55 HA GLU 55 -4.981 9.501 -12.075 437 HB2 GLU 55 HB2 GLU 55 -3.958 8.651 -14.795 438 HB3 GLU 55 HB3 GLU 55 -3.365 10.039 -13.892 439 HG2 GLU 55 HG2 GLU 55 -2.524 8.618 -12.144 440 HG3 GLU 55 HG3 GLU 55 -3.251 7.197 -12.892 Start of MODEL 11 1 H1 MET 1 H1 MET 1 -14.927 8.858 -2.382 2 H2 MET 1 H2 MET 1 -15.228 8.589 -4.026 3 H3 MET 1 H3 MET 1 -15.549 10.099 -3.344 4 HA MET 1 HA MET 1 -13.508 10.071 -4.683 5 HB2 MET 1 HB2 MET 1 -13.229 10.622 -1.720 6 HB3 MET 1 HB3 MET 1 -12.070 11.154 -2.931 7 HG2 MET 1 HG2 MET 1 -13.897 12.430 -4.036 8 HG3 MET 1 HG3 MET 1 -14.955 11.988 -2.696 9 HE1 MET 1 HE1 MET 1 -11.182 14.618 -2.259 10 HE2 MET 1 HE2 MET 1 -11.745 13.954 -3.792 11 HE3 MET 1 HE3 MET 1 -11.099 12.881 -2.550 12 H ALA 2 H ALA 2 -13.941 7.212 -3.616 13 HA ALA 2 HA ALA 2 -11.386 6.366 -2.660 14 HB1 ALA 2 HB1 ALA 2 -12.218 4.102 -2.980 15 HB2 ALA 2 HB2 ALA 2 -13.587 4.715 -3.908 16 HB3 ALA 2 HB3 ALA 2 -13.441 5.100 -2.194 17 H SER 3 H SER 3 -9.932 7.300 -4.178 18 HA SER 3 HA SER 3 -9.928 6.429 -6.932 19 HB2 SER 3 HB2 SER 3 -7.828 7.932 -5.336 20 HB3 SER 3 HB3 SER 3 -7.771 7.658 -7.078 21 HG SER 3 HG SER 3 -8.723 9.730 -6.138 22 HA PRO 4 HA PRO 4 -7.964 2.496 -5.864 23 HB2 PRO 4 HB2 PRO 4 -7.517 1.764 -8.502 24 HB3 PRO 4 HB3 PRO 4 -9.011 1.464 -7.612 25 HG2 PRO 4 HG2 PRO 4 -8.357 3.668 -9.532 26 HG3 PRO 4 HG3 PRO 4 -9.856 2.734 -9.365 27 HD2 PRO 4 HD2 PRO 4 -9.655 5.220 -8.387 28 HD3 PRO 4 HD3 PRO 4 -10.565 3.964 -7.519 29 H THR 5 H THR 5 -5.865 2.071 -5.424 30 HA THR 5 HA THR 5 -3.771 3.602 -6.863 31 HB THR 5 HB THR 5 -3.906 3.101 -3.873 32 HG1 THR 5 HG1 THR 5 -5.294 4.816 -4.784 33 HG21 THR 5 HG21 THR 5 -1.600 3.053 -4.670 34 HG22 THR 5 HG22 THR 5 -1.901 4.531 -3.756 35 HG23 THR 5 HG23 THR 5 -1.842 4.581 -5.518 36 H VAL 6 H VAL 6 -2.014 2.428 -7.510 37 HA VAL 6 HA VAL 6 -1.783 -0.340 -6.529 38 HB VAL 6 HB VAL 6 -1.965 -0.086 -8.985 39 HG11 VAL 6 HG11 VAL 6 0.706 1.315 -8.823 40 HG12 VAL 6 HG12 VAL 6 -0.832 2.077 -9.231 41 HG13 VAL 6 HG13 VAL 6 -0.144 0.853 -10.298 42 HG21 VAL 6 HG21 VAL 6 -0.835 -2.032 -8.073 43 HG22 VAL 6 HG22 VAL 6 0.694 -1.152 -8.019 44 HG23 VAL 6 HG23 VAL 6 -0.054 -1.529 -9.573 45 H ILE 7 H ILE 7 -0.218 -0.868 -5.178 46 HA ILE 7 HA ILE 7 2.024 0.996 -4.752 47 HB ILE 7 HB ILE 7 0.926 -1.138 -2.902 48 HG12 ILE 7 HG12 ILE 7 0.721 1.890 -2.766 49 HG13 ILE 7 HG13 ILE 7 -0.591 0.794 -3.184 50 HG21 ILE 7 HG21 ILE 7 2.419 -0.152 -1.210 51 HG22 ILE 7 HG22 ILE 7 3.086 0.928 -2.436 52 HG23 ILE 7 HG23 ILE 7 3.322 -0.815 -2.573 53 HD11 ILE 7 HD11 ILE 7 -0.490 -0.178 -0.947 54 HD12 ILE 7 HD12 ILE 7 -0.777 1.561 -0.894 55 HD13 ILE 7 HD13 ILE 7 0.826 0.921 -0.532 56 H THR 8 H THR 8 3.736 0.375 -5.940 57 HA THR 8 HA THR 8 4.370 -2.424 -6.397 58 HB THR 8 HB THR 8 6.058 -0.005 -7.102 59 HG1 THR 8 HG1 THR 8 4.429 -1.317 -8.995 60 HG21 THR 8 HG21 THR 8 7.268 -2.131 -7.182 61 HG22 THR 8 HG22 THR 8 7.020 -1.500 -8.809 62 HG23 THR 8 HG23 THR 8 6.016 -2.822 -8.213 63 H LEU 9 H LEU 9 5.478 -3.603 -4.950 64 HA LEU 9 HA LEU 9 7.060 -2.326 -2.867 65 HB2 LEU 9 HB2 LEU 9 6.640 -5.277 -3.397 66 HB3 LEU 9 HB3 LEU 9 7.295 -4.560 -1.934 67 HG LEU 9 HG LEU 9 4.455 -4.228 -2.928 68 HD11 LEU 9 HD11 LEU 9 4.884 -6.489 -2.131 69 HD12 LEU 9 HD12 LEU 9 3.843 -5.616 -1.006 70 HD13 LEU 9 HD13 LEU 9 5.551 -5.850 -0.627 71 HD21 LEU 9 HD21 LEU 9 5.774 -3.268 -0.382 72 HD22 LEU 9 HD22 LEU 9 4.051 -3.163 -0.750 73 HD23 LEU 9 HD23 LEU 9 5.215 -2.257 -1.716 74 H ASN 10 H ASN 10 9.297 -2.865 -2.443 75 HA ASN 10 HA ASN 10 10.993 -2.789 -4.691 76 HB2 ASN 10 HB2 ASN 10 11.580 -1.919 -2.440 77 HB3 ASN 10 HB3 ASN 10 11.675 -3.573 -1.842 78 HD21 ASN 10 HD21 ASN 10 13.434 -4.837 -2.405 79 HD22 ASN 10 HD22 ASN 10 14.856 -4.174 -3.125 80 H ASP 11 H ASP 11 9.700 -5.410 -2.818 81 HA ASP 11 HA ASP 11 11.241 -7.566 -3.661 82 HB2 ASP 11 HB2 ASP 11 9.545 -7.732 -1.920 83 HB3 ASP 11 HB3 ASP 11 8.270 -7.393 -3.085 84 H GLY 12 H GLY 12 8.881 -5.696 -5.430 85 HA2 GLY 12 HA2 GLY 12 8.906 -5.771 -7.863 86 HA3 GLY 12 HA3 GLY 12 9.171 -7.503 -7.756 87 H ARG 13 H ARG 13 7.041 -7.198 -5.433 88 HA ARG 13 HA ARG 13 4.788 -7.956 -7.070 89 HB2 ARG 13 HB2 ARG 13 5.221 -9.175 -5.022 90 HB3 ARG 13 HB3 ARG 13 5.138 -7.696 -4.074 91 HG2 ARG 13 HG2 ARG 13 2.769 -7.483 -4.545 92 HG3 ARG 13 HG3 ARG 13 2.826 -8.898 -5.599 93 HD2 ARG 13 HD2 ARG 13 3.400 -10.315 -3.711 94 HD3 ARG 13 HD3 ARG 13 3.465 -8.911 -2.642 95 HE ARG 13 HE ARG 13 0.966 -8.762 -3.545 96 HH11 ARG 13 HH11 ARG 13 2.735 -11.486 -2.368 97 HH12 ARG 13 HH12 ARG 13 1.318 -12.251 -1.733 98 HH21 ARG 13 HH21 ARG 13 -0.825 -9.761 -2.725 99 HH22 ARG 13 HH22 ARG 13 -0.661 -11.285 -1.922 100 H GLU 14 H GLU 14 3.117 -6.703 -7.680 101 HA GLU 14 HA GLU 14 2.867 -3.995 -6.531 102 HB2 GLU 14 HB2 GLU 14 1.802 -5.122 -9.133 103 HB3 GLU 14 HB3 GLU 14 1.551 -3.474 -8.569 104 HG2 GLU 14 HG2 GLU 14 3.913 -3.012 -8.709 105 HG3 GLU 14 HG3 GLU 14 4.252 -4.687 -9.130 106 H ILE 15 H ILE 15 1.115 -3.457 -5.354 107 HA ILE 15 HA ILE 15 -1.085 -5.427 -5.164 108 HB ILE 15 HB ILE 15 -0.254 -3.414 -3.062 109 HG12 ILE 15 HG12 ILE 15 0.312 -6.395 -3.139 110 HG13 ILE 15 HG13 ILE 15 1.504 -5.143 -3.481 111 HG21 ILE 15 HG21 ILE 15 -2.171 -5.750 -3.003 112 HG22 ILE 15 HG22 ILE 15 -2.575 -4.038 -2.871 113 HG23 ILE 15 HG23 ILE 15 -1.668 -4.832 -1.586 114 HD11 ILE 15 HD11 ILE 15 1.741 -5.998 -1.224 115 HD12 ILE 15 HD12 ILE 15 0.074 -5.552 -0.860 116 HD13 ILE 15 HD13 ILE 15 1.270 -4.301 -1.203 117 H GLN 16 H GLN 16 -3.004 -4.772 -5.952 118 HA GLN 16 HA GLN 16 -3.458 -1.920 -6.429 119 HB2 GLN 16 HB2 GLN 16 -5.041 -4.342 -7.315 120 HB3 GLN 16 HB3 GLN 16 -5.401 -2.679 -7.763 121 HG2 GLN 16 HG2 GLN 16 -3.207 -2.522 -8.871 122 HG3 GLN 16 HG3 GLN 16 -2.895 -4.206 -8.458 123 HE21 GLN 16 HE21 GLN 16 -4.729 -2.050 -10.463 124 HE22 GLN 16 HE22 GLN 16 -5.307 -3.242 -11.566 125 H ALA 17 H ALA 17 -4.479 -0.741 -4.980 126 HA ALA 17 HA ALA 17 -6.454 -1.955 -3.162 127 HB1 ALA 17 HB1 ALA 17 -4.973 0.671 -2.928 128 HB2 ALA 17 HB2 ALA 17 -4.562 -0.824 -2.087 129 HB3 ALA 17 HB3 ALA 17 -6.081 -0.002 -1.732 130 H VAL 18 H VAL 18 -8.466 -0.835 -2.761 131 HA VAL 18 HA VAL 18 -9.597 0.321 -5.151 132 HB VAL 18 HB VAL 18 -11.728 0.365 -3.907 133 HG11 VAL 18 HG11 VAL 18 -11.075 -1.660 -5.093 134 HG12 VAL 18 HG12 VAL 18 -11.972 -2.062 -3.629 135 HG13 VAL 18 HG13 VAL 18 -10.218 -2.242 -3.666 136 HG21 VAL 18 HG21 VAL 18 -10.923 0.886 -1.679 137 HG22 VAL 18 HG22 VAL 18 -10.072 -0.658 -1.592 138 HG23 VAL 18 HG23 VAL 18 -11.834 -0.623 -1.640 139 H ASP 19 H ASP 19 -8.468 1.555 -2.075 140 HA ASP 19 HA ASP 19 -9.092 4.276 -3.018 141 HB2 ASP 19 HB2 ASP 19 -9.344 4.912 -0.556 142 HB3 ASP 19 HB3 ASP 19 -10.658 3.995 -1.281 143 H THR 20 H THR 20 -7.786 5.926 -1.550 144 HA THR 20 HA THR 20 -5.023 5.373 -2.153 145 HB THR 20 HB THR 20 -4.600 7.687 -1.395 146 HG1 THR 20 HG1 THR 20 -6.440 7.533 0.221 147 HG21 THR 20 HG21 THR 20 -5.310 7.351 -3.703 148 HG22 THR 20 HG22 THR 20 -6.001 8.848 -3.071 149 HG23 THR 20 HG23 THR 20 -7.004 7.404 -3.211 150 HA PRO 21 HA PRO 21 -4.035 3.709 1.829 151 HB2 PRO 21 HB2 PRO 21 -1.320 3.813 1.689 152 HB3 PRO 21 HB3 PRO 21 -2.285 2.653 0.768 153 HG2 PRO 21 HG2 PRO 21 -1.125 5.275 -0.125 154 HG3 PRO 21 HG3 PRO 21 -1.102 3.705 -0.955 155 HD2 PRO 21 HD2 PRO 21 -2.874 5.634 -1.607 156 HD3 PRO 21 HD3 PRO 21 -3.300 3.911 -1.674 157 H LYS 22 H LYS 22 -3.339 4.270 3.880 158 HA LYS 22 HA LYS 22 -2.597 7.095 4.329 159 HB2 LYS 22 HB2 LYS 22 -4.687 6.650 5.382 160 HB3 LYS 22 HB3 LYS 22 -4.128 5.106 6.009 161 HG2 LYS 22 HG2 LYS 22 -2.558 6.321 7.494 162 HG3 LYS 22 HG3 LYS 22 -3.236 7.844 6.915 163 HD2 LYS 22 HD2 LYS 22 -5.387 7.309 7.843 164 HD3 LYS 22 HD3 LYS 22 -4.865 5.670 8.236 165 HE2 LYS 22 HE2 LYS 22 -3.759 8.211 9.444 166 HE3 LYS 22 HE3 LYS 22 -4.900 7.117 10.221 167 HZ1 LYS 22 HZ1 LYS 22 -3.200 5.356 10.058 168 HZ2 LYS 22 HZ2 LYS 22 -2.694 6.660 11.015 169 HZ3 LYS 22 HZ3 LYS 22 -2.108 6.488 9.441 170 H TYR 23 H TYR 23 -0.496 7.389 4.895 171 HA TYR 23 HA TYR 23 1.053 5.228 6.057 172 HB2 TYR 23 HB2 TYR 23 2.226 6.685 4.527 173 HB3 TYR 23 HB3 TYR 23 1.760 8.112 5.448 174 HD1 TYR 23 HD1 TYR 23 3.622 4.885 5.895 175 HD2 TYR 23 HD2 TYR 23 3.300 9.001 6.964 176 HE1 TYR 23 HE1 TYR 23 5.679 4.696 7.229 177 HE2 TYR 23 HE2 TYR 23 5.359 8.819 8.299 178 HH TYR 23 HH TYR 23 6.669 7.098 9.442 179 H ASP 24 H ASP 24 1.263 4.835 8.195 180 HA ASP 24 HA ASP 24 0.202 6.833 10.061 181 HB2 ASP 24 HB2 ASP 24 -0.559 4.397 10.114 182 HB3 ASP 24 HB3 ASP 24 1.040 4.010 10.751 183 H GLU 25 H GLU 25 1.558 8.149 11.041 184 HA GLU 25 HA GLU 25 4.362 7.970 10.604 185 HB2 GLU 25 HB2 GLU 25 3.089 10.086 10.662 186 HB3 GLU 25 HB3 GLU 25 2.790 9.853 12.377 187 HG2 GLU 25 HG2 GLU 25 5.116 10.123 12.884 188 HG3 GLU 25 HG3 GLU 25 5.535 10.142 11.169 189 H GLU 26 H GLU 26 2.296 7.100 13.275 190 HA GLU 26 HA GLU 26 4.458 6.913 15.195 191 HB2 GLU 26 HB2 GLU 26 1.605 5.924 15.409 192 HB3 GLU 26 HB3 GLU 26 2.745 6.102 16.735 193 HG2 GLU 26 HG2 GLU 26 1.641 8.347 15.052 194 HG3 GLU 26 HG3 GLU 26 1.104 7.917 16.675 195 H SER 27 H SER 27 2.412 4.604 13.403 196 HA SER 27 HA SER 27 3.773 2.303 14.520 197 HB2 SER 27 HB2 SER 27 1.764 2.437 12.255 198 HB3 SER 27 HB3 SER 27 2.300 0.972 13.074 199 HG SER 27 HG SER 27 0.740 3.103 14.099 200 H GLY 28 H GLY 28 4.034 4.223 11.613 201 HA2 GLY 28 HA2 GLY 28 5.813 4.286 10.116 202 HA3 GLY 28 HA3 GLY 28 6.489 2.866 10.893 203 H PHE 29 H PHE 29 3.239 2.384 10.046 204 HA PHE 29 HA PHE 29 4.065 0.794 7.702 205 HB2 PHE 29 HB2 PHE 29 1.624 0.513 9.473 206 HB3 PHE 29 HB3 PHE 29 1.973 -0.494 8.075 207 HD1 PHE 29 HD1 PHE 29 4.073 -1.931 8.124 208 HD2 PHE 29 HD2 PHE 29 2.492 -0.022 11.586 209 HE1 PHE 29 HE1 PHE 29 5.324 -3.494 9.555 210 HE2 PHE 29 HE2 PHE 29 3.746 -1.575 13.019 211 HZ PHE 29 HZ PHE 29 5.165 -3.315 12.006 212 H TYR 30 H TYR 30 2.584 0.640 5.884 213 HA TYR 30 HA TYR 30 0.891 3.012 5.473 214 HB2 TYR 30 HB2 TYR 30 2.104 0.994 3.580 215 HB3 TYR 30 HB3 TYR 30 0.794 2.051 3.069 216 HD1 TYR 30 HD1 TYR 30 4.317 1.951 4.176 217 HD2 TYR 30 HD2 TYR 30 1.190 4.365 2.591 218 HE1 TYR 30 HE1 TYR 30 5.954 3.702 3.620 219 HE2 TYR 30 HE2 TYR 30 2.815 6.123 2.037 220 HH TYR 30 HH TYR 30 5.023 6.877 2.674 221 H GLU 31 H GLU 31 -1.263 2.835 5.587 222 HA GLU 31 HA GLU 31 -2.499 0.182 5.810 223 HB2 GLU 31 HB2 GLU 31 -3.723 2.898 6.370 224 HB3 GLU 31 HB3 GLU 31 -4.391 1.332 6.808 225 HG2 GLU 31 HG2 GLU 31 -2.476 0.978 8.331 226 HG3 GLU 31 HG3 GLU 31 -1.890 2.590 7.931 227 H PHE 32 H PHE 32 -3.500 -0.641 4.053 228 HA PHE 32 HA PHE 32 -4.908 1.179 2.237 229 HB2 PHE 32 HB2 PHE 32 -3.911 0.092 0.243 230 HB3 PHE 32 HB3 PHE 32 -2.724 0.959 1.210 231 HD1 PHE 32 HD1 PHE 32 -1.165 -0.330 2.690 232 HD2 PHE 32 HD2 PHE 32 -3.704 -2.227 -0.159 233 HE1 PHE 32 HE1 PHE 32 0.220 -2.361 2.808 234 HE2 PHE 32 HE2 PHE 32 -2.326 -4.251 -0.044 235 HZ PHE 32 HZ PHE 32 -0.358 -4.325 1.440 236 H LYS 33 H LYS 33 -6.574 0.265 1.034 237 HA LYS 33 HA LYS 33 -7.522 -2.354 2.011 238 HB2 LYS 33 HB2 LYS 33 -8.941 -0.361 2.461 239 HB3 LYS 33 HB3 LYS 33 -9.071 -0.088 0.729 240 HG2 LYS 33 HG2 LYS 33 -10.161 -2.323 0.525 241 HG3 LYS 33 HG3 LYS 33 -10.151 -2.434 2.288 242 HD2 LYS 33 HD2 LYS 33 -11.538 -0.320 0.624 243 HD3 LYS 33 HD3 LYS 33 -12.317 -1.634 1.507 244 HE2 LYS 33 HE2 LYS 33 -11.738 -0.690 3.605 245 HE3 LYS 33 HE3 LYS 33 -10.609 0.444 2.865 246 HZ1 LYS 33 HZ1 LYS 33 -12.680 1.512 3.515 247 HZ2 LYS 33 HZ2 LYS 33 -13.557 0.487 2.493 248 HZ3 LYS 33 HZ3 LYS 33 -12.448 1.587 1.843 249 H GLN 34 H GLN 34 -7.042 -3.949 0.609 250 HA GLN 34 HA GLN 34 -6.362 -3.532 -2.115 251 HB2 GLN 34 HB2 GLN 34 -7.084 -6.114 -0.710 252 HB3 GLN 34 HB3 GLN 34 -6.290 -5.989 -2.273 253 HG2 GLN 34 HG2 GLN 34 -4.374 -4.883 -1.189 254 HG3 GLN 34 HG3 GLN 34 -5.168 -5.078 0.373 255 HE21 GLN 34 HE21 GLN 34 -5.363 -7.168 1.248 256 HE22 GLN 34 HE22 GLN 34 -4.387 -8.478 0.693 257 H LEU 35 H LEU 35 -7.399 -4.874 -3.925 258 HA LEU 35 HA LEU 35 -10.004 -4.009 -4.458 259 HB2 LEU 35 HB2 LEU 35 -8.519 -6.346 -5.667 260 HB3 LEU 35 HB3 LEU 35 -9.969 -5.625 -6.338 261 HG LEU 35 HG LEU 35 -7.270 -4.286 -6.060 262 HD11 LEU 35 HD11 LEU 35 -7.268 -4.306 -8.501 263 HD12 LEU 35 HD12 LEU 35 -8.809 -5.163 -8.505 264 HD13 LEU 35 HD13 LEU 35 -7.368 -5.941 -7.853 265 HD21 LEU 35 HD21 LEU 35 -8.282 -2.409 -7.282 266 HD22 LEU 35 HD22 LEU 35 -9.045 -2.658 -5.711 267 HD23 LEU 35 HD23 LEU 35 -9.857 -3.199 -7.181 268 H ASP 36 H ASP 36 -8.941 -6.761 -2.674 269 HA ASP 36 HA ASP 36 -11.452 -8.190 -2.827 270 HB2 ASP 36 HB2 ASP 36 -10.295 -9.587 -0.982 271 HB3 ASP 36 HB3 ASP 36 -9.609 -9.614 -2.606 272 H GLY 37 H GLY 37 -10.306 -5.571 -0.997 273 HA2 GLY 37 HA2 GLY 37 -11.841 -4.316 0.343 274 HA3 GLY 37 HA3 GLY 37 -12.640 -5.811 0.791 275 H LYS 38 H LYS 38 -9.469 -6.565 1.091 276 HA LYS 38 HA LYS 38 -9.520 -6.346 3.963 277 HB2 LYS 38 HB2 LYS 38 -7.329 -7.234 2.071 278 HB3 LYS 38 HB3 LYS 38 -7.217 -7.323 3.824 279 HG2 LYS 38 HG2 LYS 38 -9.020 -8.915 3.911 280 HG3 LYS 38 HG3 LYS 38 -9.307 -8.743 2.176 281 HD2 LYS 38 HD2 LYS 38 -7.105 -9.665 1.697 282 HD3 LYS 38 HD3 LYS 38 -6.745 -9.765 3.422 283 HE2 LYS 38 HE2 LYS 38 -8.970 -11.251 2.018 284 HE3 LYS 38 HE3 LYS 38 -7.403 -11.939 2.443 285 HZ1 LYS 38 HZ1 LYS 38 -9.052 -12.510 4.086 286 HZ2 LYS 38 HZ2 LYS 38 -9.418 -10.882 4.353 287 HZ3 LYS 38 HZ3 LYS 38 -7.900 -11.485 4.779 288 H GLN 39 H GLN 39 -9.060 -4.490 5.032 289 HA GLN 39 HA GLN 39 -7.153 -2.585 3.931 290 HB2 GLN 39 HB2 GLN 39 -9.136 -1.720 5.105 291 HB3 GLN 39 HB3 GLN 39 -8.634 -2.541 6.579 292 HG2 GLN 39 HG2 GLN 39 -6.608 -1.154 6.654 293 HG3 GLN 39 HG3 GLN 39 -7.121 -0.333 5.183 294 HE21 GLN 39 HE21 GLN 39 -8.816 1.148 5.283 295 HE22 GLN 39 HE22 GLN 39 -9.382 1.795 6.785 296 H THR 40 H THR 40 -5.217 -3.695 3.918 297 HA THR 40 HA THR 40 -4.224 -4.725 6.503 298 HB THR 40 HB THR 40 -4.288 -6.457 4.813 299 HG1 THR 40 HG1 THR 40 -2.533 -6.673 6.167 300 HG21 THR 40 HG21 THR 40 -2.494 -4.667 3.164 301 HG22 THR 40 HG22 THR 40 -4.176 -5.060 2.802 302 HG23 THR 40 HG23 THR 40 -2.946 -6.324 2.764 303 H ARG 41 H ARG 41 -1.799 -4.589 6.775 304 HA ARG 41 HA ARG 41 -0.846 -1.934 5.889 305 HB2 ARG 41 HB2 ARG 41 -0.614 -3.125 8.662 306 HB3 ARG 41 HB3 ARG 41 0.110 -1.605 8.147 307 HG2 ARG 41 HG2 ARG 41 -2.108 -0.673 7.741 308 HG3 ARG 41 HG3 ARG 41 -2.846 -2.203 8.215 309 HD2 ARG 41 HD2 ARG 41 -1.137 -0.466 9.999 310 HD3 ARG 41 HD3 ARG 41 -2.900 -0.516 10.014 311 HE ARG 41 HE ARG 41 -1.347 -2.951 10.552 312 HH11 ARG 41 HH11 ARG 41 -3.608 -0.560 11.572 313 HH12 ARG 41 HH12 ARG 41 -4.061 -1.439 12.987 314 HH21 ARG 41 HH21 ARG 41 -1.933 -4.061 12.378 315 HH22 ARG 41 HH22 ARG 41 -3.118 -3.389 13.444 316 H ILE 42 H ILE 42 1.256 -1.762 5.300 317 HA ILE 42 HA ILE 42 3.087 -4.004 5.883 318 HB ILE 42 HB ILE 42 2.219 -4.199 3.545 319 HG12 ILE 42 HG12 ILE 42 5.182 -3.551 3.699 320 HG13 ILE 42 HG13 ILE 42 4.458 -5.066 4.229 321 HG21 ILE 42 HG21 ILE 42 1.947 -1.807 3.073 322 HG22 ILE 42 HG22 ILE 42 2.925 -2.604 1.841 323 HG23 ILE 42 HG23 ILE 42 3.700 -1.605 3.072 324 HD11 ILE 42 HD11 ILE 42 5.467 -5.283 2.036 325 HD12 ILE 42 HD12 ILE 42 4.435 -3.994 1.418 326 HD13 ILE 42 HD13 ILE 42 3.721 -5.516 1.952 327 H ASN 43 H ASN 43 5.319 -3.423 6.050 328 HA ASN 43 HA ASN 43 5.684 -0.868 7.242 329 HB2 ASN 43 HB2 ASN 43 6.866 -3.014 7.876 330 HB3 ASN 43 HB3 ASN 43 7.881 -2.794 6.453 331 HD21 ASN 43 HD21 ASN 43 9.758 -2.529 7.617 332 HD22 ASN 43 HD22 ASN 43 10.066 -1.146 8.604 333 H LYS 44 H LYS 44 7.079 0.840 6.647 334 HA LYS 44 HA LYS 44 6.727 1.624 3.950 335 HB2 LYS 44 HB2 LYS 44 8.040 3.651 4.611 336 HB3 LYS 44 HB3 LYS 44 6.652 3.300 5.627 337 HG2 LYS 44 HG2 LYS 44 8.114 2.360 7.336 338 HG3 LYS 44 HG3 LYS 44 9.521 2.659 6.309 339 HD2 LYS 44 HD2 LYS 44 9.185 5.037 6.428 340 HD3 LYS 44 HD3 LYS 44 7.636 4.829 7.247 341 HE2 LYS 44 HE2 LYS 44 8.790 3.881 9.188 342 HE3 LYS 44 HE3 LYS 44 10.339 4.067 8.364 343 HZ1 LYS 44 HZ1 LYS 44 10.088 6.428 8.384 344 HZ2 LYS 44 HZ2 LYS 44 9.824 5.870 9.958 345 HZ3 LYS 44 HZ3 LYS 44 8.512 6.321 8.990 346 H ASP 45 H ASP 45 9.292 -0.189 5.333 347 HA ASP 45 HA ASP 45 11.308 0.739 3.481 348 HB2 ASP 45 HB2 ASP 45 12.718 -1.037 4.418 349 HB3 ASP 45 HB3 ASP 45 11.981 -0.065 5.685 350 H GLN 46 H GLN 46 8.683 -1.356 3.230 351 HA GLN 46 HA GLN 46 9.865 -3.090 1.207 352 HB2 GLN 46 HB2 GLN 46 7.026 -2.951 2.253 353 HB3 GLN 46 HB3 GLN 46 7.655 -4.184 1.168 354 HG2 GLN 46 HG2 GLN 46 8.750 -3.699 3.929 355 HG3 GLN 46 HG3 GLN 46 7.452 -4.839 3.590 356 HE21 GLN 46 HE21 GLN 46 8.668 -6.589 4.300 357 HE22 GLN 46 HE22 GLN 46 9.984 -7.228 3.386 358 H VAL 47 H VAL 47 7.937 -0.183 1.305 359 HA VAL 47 HA VAL 47 6.706 -0.581 -1.264 360 HB VAL 47 HB VAL 47 5.521 0.727 0.383 361 HG11 VAL 47 HG11 VAL 47 7.783 2.721 0.204 362 HG12 VAL 47 HG12 VAL 47 7.412 1.687 1.584 363 HG13 VAL 47 HG13 VAL 47 6.275 2.943 1.094 364 HG21 VAL 47 HG21 VAL 47 6.384 2.442 -1.953 365 HG22 VAL 47 HG22 VAL 47 4.933 2.682 -0.977 366 HG23 VAL 47 HG23 VAL 47 5.100 1.232 -1.968 367 H ARG 48 H ARG 48 7.684 -0.391 -3.145 368 HA ARG 48 HA ARG 48 10.122 1.129 -3.499 369 HB2 ARG 48 HB2 ARG 48 9.832 -1.036 -4.616 370 HB3 ARG 48 HB3 ARG 48 8.449 -0.407 -5.503 371 HG2 ARG 48 HG2 ARG 48 9.928 1.211 -6.625 372 HG3 ARG 48 HG3 ARG 48 11.305 0.535 -5.754 373 HD2 ARG 48 HD2 ARG 48 10.952 -1.626 -6.817 374 HD3 ARG 48 HD3 ARG 48 9.515 -1.012 -7.635 375 HE ARG 48 HE ARG 48 12.074 0.300 -8.162 376 HH11 ARG 48 HH11 ARG 48 9.578 -1.805 -9.234 377 HH12 ARG 48 HH12 ARG 48 10.023 -1.683 -10.897 378 HH21 ARG 48 HH21 ARG 48 12.663 0.435 -10.298 379 HH22 ARG 48 HH22 ARG 48 11.758 -0.430 -11.492 380 H THR 49 H THR 49 6.947 1.191 -5.163 381 HA THR 49 HA THR 49 7.116 4.123 -5.368 382 HB THR 49 HB THR 49 6.405 4.083 -7.746 383 HG1 THR 49 HG1 THR 49 5.580 1.892 -7.722 384 HG21 THR 49 HG21 THR 49 8.773 4.404 -7.249 385 HG22 THR 49 HG22 THR 49 8.571 3.474 -8.734 386 HG23 THR 49 HG23 THR 49 9.022 2.658 -7.239 387 H VAL 50 H VAL 50 5.152 5.174 -5.361 388 HA VAL 50 HA VAL 50 2.717 3.490 -5.238 389 HB VAL 50 HB VAL 50 3.169 6.212 -3.976 390 HG11 VAL 50 HG11 VAL 50 0.797 4.345 -3.791 391 HG12 VAL 50 HG12 VAL 50 0.842 5.900 -4.626 392 HG13 VAL 50 HG13 VAL 50 1.004 5.837 -2.871 393 HG21 VAL 50 HG21 VAL 50 3.110 5.024 -1.831 394 HG22 VAL 50 HG22 VAL 50 4.443 4.464 -2.841 395 HG23 VAL 50 HG23 VAL 50 2.984 3.485 -2.684 396 H LYS 51 H LYS 51 1.304 3.727 -6.881 397 HA LYS 51 HA LYS 51 1.062 6.339 -8.212 398 HB2 LYS 51 HB2 LYS 51 1.489 3.702 -9.631 399 HB3 LYS 51 HB3 LYS 51 0.898 5.152 -10.434 400 HG2 LYS 51 HG2 LYS 51 2.988 6.311 -9.717 401 HG3 LYS 51 HG3 LYS 51 3.579 4.761 -9.117 402 HD2 LYS 51 HD2 LYS 51 3.512 3.818 -11.334 403 HD3 LYS 51 HD3 LYS 51 2.732 5.269 -11.972 404 HE2 LYS 51 HE2 LYS 51 5.520 5.107 -10.817 405 HE3 LYS 51 HE3 LYS 51 5.108 5.248 -12.525 406 HZ1 LYS 51 HZ1 LYS 51 5.706 7.388 -11.635 407 HZ2 LYS 51 HZ2 LYS 51 4.540 7.263 -10.418 408 HZ3 LYS 51 HZ3 LYS 51 4.060 7.391 -12.032 409 H ASP 52 H ASP 52 -0.933 6.677 -9.342 410 HA ASP 52 HA ASP 52 -3.165 5.256 -8.134 411 HB2 ASP 52 HB2 ASP 52 -3.156 7.650 -9.992 412 HB3 ASP 52 HB3 ASP 52 -4.550 7.029 -9.114 413 H LEU 53 H LEU 53 -4.790 4.184 -9.270 414 HA LEU 53 HA LEU 53 -4.093 3.143 -11.889 415 HB2 LEU 53 HB2 LEU 53 -6.449 2.593 -10.075 416 HB3 LEU 53 HB3 LEU 53 -6.189 1.797 -11.618 417 HG LEU 53 HG LEU 53 -4.341 1.618 -9.224 418 HD11 LEU 53 HD11 LEU 53 -6.251 -0.409 -10.389 419 HD12 LEU 53 HD12 LEU 53 -6.411 0.409 -8.834 420 HD13 LEU 53 HD13 LEU 53 -5.084 -0.717 -9.105 421 HD21 LEU 53 HD21 LEU 53 -3.200 -0.132 -10.532 422 HD22 LEU 53 HD22 LEU 53 -3.102 1.450 -11.307 423 HD23 LEU 53 HD23 LEU 53 -4.236 0.241 -11.912 424 H LEU 54 H LEU 54 -5.622 5.877 -10.811 425 HA LEU 54 HA LEU 54 -7.074 6.192 -13.368 426 HB2 LEU 54 HB2 LEU 54 -7.681 7.462 -10.688 427 HB3 LEU 54 HB3 LEU 54 -8.465 7.910 -12.191 428 HG LEU 54 HG LEU 54 -8.644 5.212 -10.832 429 HD11 LEU 54 HD11 LEU 54 -10.725 7.372 -11.202 430 HD12 LEU 54 HD12 LEU 54 -9.895 6.990 -9.692 431 HD13 LEU 54 HD13 LEU 54 -10.968 5.803 -10.430 432 HD21 LEU 54 HD21 LEU 54 -8.711 4.980 -13.262 433 HD22 LEU 54 HD22 LEU 54 -9.975 6.209 -13.357 434 HD23 LEU 54 HD23 LEU 54 -10.297 4.670 -12.556 435 H GLU 55 H GLU 55 -4.820 6.789 -14.070 436 HA GLU 55 HA GLU 55 -3.846 9.394 -13.214 437 HB2 GLU 55 HB2 GLU 55 -2.829 7.416 -15.268 438 HB3 GLU 55 HB3 GLU 55 -2.059 8.964 -14.953 439 HG2 GLU 55 HG2 GLU 55 -2.480 6.859 -12.838 440 HG3 GLU 55 HG3 GLU 55 -1.021 6.982 -13.816 Start of MODEL 12 1 H1 MET 1 H1 MET 1 -12.057 11.912 -2.375 2 H2 MET 1 H2 MET 1 -10.825 11.141 -3.240 3 H3 MET 1 H3 MET 1 -10.864 11.043 -1.551 4 HA MET 1 HA MET 1 -12.872 9.773 -1.592 5 HB2 MET 1 HB2 MET 1 -13.866 9.046 -3.712 6 HB3 MET 1 HB3 MET 1 -13.858 10.799 -3.592 7 HG2 MET 1 HG2 MET 1 -11.975 10.937 -5.096 8 HG3 MET 1 HG3 MET 1 -11.840 9.180 -5.138 9 HE1 MET 1 HE1 MET 1 -15.405 11.519 -6.926 10 HE2 MET 1 HE2 MET 1 -14.062 12.274 -6.068 11 HE3 MET 1 HE3 MET 1 -15.217 11.267 -5.192 12 H ALA 2 H ALA 2 -13.039 7.414 -2.688 13 HA ALA 2 HA ALA 2 -10.376 6.261 -2.361 14 HB1 ALA 2 HB1 ALA 2 -11.519 4.129 -2.138 15 HB2 ALA 2 HB2 ALA 2 -13.053 4.879 -2.581 16 HB3 ALA 2 HB3 ALA 2 -12.252 5.330 -1.077 17 H SER 3 H SER 3 -9.198 6.282 -4.196 18 HA SER 3 HA SER 3 -10.443 5.255 -6.675 19 HB2 SER 3 HB2 SER 3 -8.081 7.132 -6.367 20 HB3 SER 3 HB3 SER 3 -8.653 6.481 -7.902 21 HG SER 3 HG SER 3 -10.715 7.498 -7.373 22 HA PRO 4 HA PRO 4 -7.987 1.571 -6.170 23 HB2 PRO 4 HB2 PRO 4 -7.697 1.100 -8.939 24 HB3 PRO 4 HB3 PRO 4 -8.959 0.456 -7.886 25 HG2 PRO 4 HG2 PRO 4 -9.025 2.826 -9.698 26 HG3 PRO 4 HG3 PRO 4 -10.315 1.671 -9.310 27 HD2 PRO 4 HD2 PRO 4 -10.310 4.126 -8.254 28 HD3 PRO 4 HD3 PRO 4 -10.810 2.725 -7.281 29 H THR 5 H THR 5 -5.922 1.712 -5.575 30 HA THR 5 HA THR 5 -3.973 3.097 -7.328 31 HB THR 5 HB THR 5 -4.053 3.051 -4.296 32 HG1 THR 5 HG1 THR 5 -5.466 4.560 -5.475 33 HG21 THR 5 HG21 THR 5 -1.738 2.929 -5.099 34 HG22 THR 5 HG22 THR 5 -2.079 4.505 -4.380 35 HG23 THR 5 HG23 THR 5 -2.019 4.330 -6.132 36 H VAL 6 H VAL 6 -2.169 1.954 -7.880 37 HA VAL 6 HA VAL 6 -1.790 -0.679 -6.631 38 HB VAL 6 HB VAL 6 -1.952 -0.637 -9.095 39 HG11 VAL 6 HG11 VAL 6 0.611 0.957 -8.990 40 HG12 VAL 6 HG12 VAL 6 -0.961 1.551 -9.528 41 HG13 VAL 6 HG13 VAL 6 -0.130 0.293 -10.446 42 HG21 VAL 6 HG21 VAL 6 0.784 -1.449 -8.086 43 HG22 VAL 6 HG22 VAL 6 0.010 -2.028 -9.562 44 HG23 VAL 6 HG23 VAL 6 -0.683 -2.424 -7.989 45 H ILE 7 H ILE 7 -0.059 -1.173 -5.425 46 HA ILE 7 HA ILE 7 2.027 0.884 -5.053 47 HB ILE 7 HB ILE 7 1.117 -1.274 -3.126 48 HG12 ILE 7 HG12 ILE 7 0.728 1.738 -3.033 49 HG13 ILE 7 HG13 ILE 7 -0.522 0.554 -3.399 50 HG21 ILE 7 HG21 ILE 7 2.594 -0.176 -1.494 51 HG22 ILE 7 HG22 ILE 7 3.156 0.931 -2.747 52 HG23 ILE 7 HG23 ILE 7 3.499 -0.794 -2.874 53 HD11 ILE 7 HD11 ILE 7 0.950 0.831 -0.790 54 HD12 ILE 7 HD12 ILE 7 -0.284 -0.377 -1.148 55 HD13 ILE 7 HD13 ILE 7 -0.707 1.335 -1.118 56 H THR 8 H THR 8 3.786 0.339 -6.232 57 HA THR 8 HA THR 8 4.557 -2.432 -6.640 58 HB THR 8 HB THR 8 6.104 0.063 -7.403 59 HG1 THR 8 HG1 THR 8 4.363 -1.472 -9.072 60 HG21 THR 8 HG21 THR 8 7.170 -1.416 -9.063 61 HG22 THR 8 HG22 THR 8 6.263 -2.785 -8.418 62 HG23 THR 8 HG23 THR 8 7.462 -1.970 -7.415 63 H LEU 9 H LEU 9 5.726 -3.528 -5.190 64 HA LEU 9 HA LEU 9 7.124 -2.140 -3.054 65 HB2 LEU 9 HB2 LEU 9 6.853 -5.108 -3.564 66 HB3 LEU 9 HB3 LEU 9 7.434 -4.358 -2.087 67 HG LEU 9 HG LEU 9 4.623 -4.180 -3.188 68 HD11 LEU 9 HD11 LEU 9 5.141 -6.366 -2.246 69 HD12 LEU 9 HD12 LEU 9 4.008 -5.489 -1.218 70 HD13 LEU 9 HD13 LEU 9 5.706 -5.606 -0.757 71 HD21 LEU 9 HD21 LEU 9 5.772 -3.022 -0.643 72 HD22 LEU 9 HD22 LEU 9 4.075 -2.992 -1.126 73 HD23 LEU 9 HD23 LEU 9 5.274 -2.106 -2.066 74 H ASN 10 H ASN 10 9.336 -2.547 -2.488 75 HA ASN 10 HA ASN 10 11.175 -2.451 -4.619 76 HB2 ASN 10 HB2 ASN 10 11.600 -1.500 -2.373 77 HB3 ASN 10 HB3 ASN 10 11.700 -3.127 -1.709 78 HD21 ASN 10 HD21 ASN 10 13.270 -0.745 -3.704 79 HD22 ASN 10 HD22 ASN 10 14.812 -1.518 -3.752 80 H ASP 11 H ASP 11 9.757 -5.128 -2.966 81 HA ASP 11 HA ASP 11 11.692 -7.092 -3.795 82 HB2 ASP 11 HB2 ASP 11 8.898 -7.403 -2.670 83 HB3 ASP 11 HB3 ASP 11 10.054 -8.714 -2.891 84 H GLY 12 H GLY 12 9.395 -5.412 -5.513 85 HA2 GLY 12 HA2 GLY 12 9.175 -5.724 -7.869 86 HA3 GLY 12 HA3 GLY 12 9.403 -7.448 -7.642 87 H ARG 13 H ARG 13 7.470 -7.446 -5.379 88 HA ARG 13 HA ARG 13 5.142 -8.127 -6.844 89 HB2 ARG 13 HB2 ARG 13 5.644 -9.231 -4.748 90 HB3 ARG 13 HB3 ARG 13 5.569 -7.706 -3.875 91 HG2 ARG 13 HG2 ARG 13 3.171 -7.537 -4.403 92 HG3 ARG 13 HG3 ARG 13 3.259 -9.085 -5.244 93 HD2 ARG 13 HD2 ARG 13 3.918 -10.181 -3.150 94 HD3 ARG 13 HD3 ARG 13 3.833 -8.631 -2.311 95 HE ARG 13 HE ARG 13 1.366 -8.894 -3.403 96 HH11 ARG 13 HH11 ARG 13 3.272 -10.892 -1.353 97 HH12 ARG 13 HH12 ARG 13 1.899 -11.655 -0.635 98 HH21 ARG 13 HH21 ARG 13 -0.388 -9.849 -2.460 99 HH22 ARG 13 HH22 ARG 13 -0.161 -11.070 -1.260 100 H GLU 14 H GLU 14 3.307 -6.997 -7.326 101 HA GLU 14 HA GLU 14 3.074 -4.243 -6.266 102 HB2 GLU 14 HB2 GLU 14 1.881 -5.395 -8.804 103 HB3 GLU 14 HB3 GLU 14 1.696 -3.738 -8.243 104 HG2 GLU 14 HG2 GLU 14 4.162 -3.463 -8.426 105 HG3 GLU 14 HG3 GLU 14 4.244 -5.074 -9.132 106 H ILE 15 H ILE 15 1.370 -3.761 -5.002 107 HA ILE 15 HA ILE 15 -0.806 -5.747 -4.779 108 HB ILE 15 HB ILE 15 0.004 -3.673 -2.723 109 HG12 ILE 15 HG12 ILE 15 0.573 -6.656 -2.768 110 HG13 ILE 15 HG13 ILE 15 1.766 -5.393 -3.049 111 HG21 ILE 15 HG21 ILE 15 -1.903 -6.019 -2.569 112 HG22 ILE 15 HG22 ILE 15 -2.339 -4.310 -2.556 113 HG23 ILE 15 HG23 ILE 15 -1.434 -5.000 -1.208 114 HD11 ILE 15 HD11 ILE 15 0.256 -5.869 -0.487 115 HD12 ILE 15 HD12 ILE 15 1.426 -4.578 -0.764 116 HD13 ILE 15 HD13 ILE 15 1.945 -6.262 -0.803 117 H GLN 16 H GLN 16 -2.828 -5.167 -5.330 118 HA GLN 16 HA GLN 16 -3.294 -2.402 -6.178 119 HB2 GLN 16 HB2 GLN 16 -4.748 -4.985 -6.731 120 HB3 GLN 16 HB3 GLN 16 -5.385 -3.417 -7.207 121 HG2 GLN 16 HG2 GLN 16 -3.524 -3.031 -8.666 122 HG3 GLN 16 HG3 GLN 16 -2.704 -4.478 -8.078 123 HE21 GLN 16 HE21 GLN 16 -3.704 -3.627 -10.783 124 HE22 GLN 16 HE22 GLN 16 -4.648 -4.965 -11.324 125 H ALA 17 H ALA 17 -4.281 -1.052 -4.871 126 HA ALA 17 HA ALA 17 -6.254 -2.041 -2.911 127 HB1 ALA 17 HB1 ALA 17 -4.656 0.524 -2.872 128 HB2 ALA 17 HB2 ALA 17 -4.305 -0.922 -1.926 129 HB3 ALA 17 HB3 ALA 17 -5.788 -0.013 -1.631 130 H VAL 18 H VAL 18 -8.017 -0.394 -2.403 131 HA VAL 18 HA VAL 18 -9.072 0.700 -4.922 132 HB VAL 18 HB VAL 18 -11.279 0.700 -3.816 133 HG11 VAL 18 HG11 VAL 18 -10.592 -1.247 -5.116 134 HG12 VAL 18 HG12 VAL 18 -11.594 -1.733 -3.748 135 HG13 VAL 18 HG13 VAL 18 -9.846 -1.959 -3.684 136 HG21 VAL 18 HG21 VAL 18 -10.537 1.028 -1.506 137 HG22 VAL 18 HG22 VAL 18 -9.828 -0.587 -1.494 138 HG23 VAL 18 HG23 VAL 18 -11.574 -0.392 -1.639 139 H ASP 19 H ASP 19 -7.512 1.776 -2.171 140 HA ASP 19 HA ASP 19 -8.443 4.511 -2.671 141 HB2 ASP 19 HB2 ASP 19 -8.330 4.932 -0.159 142 HB3 ASP 19 HB3 ASP 19 -9.706 4.009 -0.748 143 H THR 20 H THR 20 -6.989 6.105 -1.368 144 HA THR 20 HA THR 20 -4.287 5.643 -2.276 145 HB THR 20 HB THR 20 -3.864 7.967 -1.500 146 HG1 THR 20 HG1 THR 20 -5.469 7.847 0.251 147 HG21 THR 20 HG21 THR 20 -4.752 7.576 -3.766 148 HG22 THR 20 HG22 THR 20 -5.350 9.092 -3.092 149 HG23 THR 20 HG23 THR 20 -6.397 7.674 -3.135 150 HA PRO 21 HA PRO 21 -2.991 3.814 1.592 151 HB2 PRO 21 HB2 PRO 21 -0.280 3.940 1.135 152 HB3 PRO 21 HB3 PRO 21 -1.349 2.706 0.459 153 HG2 PRO 21 HG2 PRO 21 -0.335 5.232 -0.805 154 HG3 PRO 21 HG3 PRO 21 -0.446 3.602 -1.499 155 HD2 PRO 21 HD2 PRO 21 -2.271 5.481 -2.074 156 HD3 PRO 21 HD3 PRO 21 -2.744 3.781 -1.864 157 H LYS 22 H LYS 22 -2.865 4.715 3.529 158 HA LYS 22 HA LYS 22 -1.806 7.420 3.902 159 HB2 LYS 22 HB2 LYS 22 -3.980 6.707 4.916 160 HB3 LYS 22 HB3 LYS 22 -3.103 5.540 5.898 161 HG2 LYS 22 HG2 LYS 22 -1.778 7.557 6.775 162 HG3 LYS 22 HG3 LYS 22 -3.057 8.542 6.060 163 HD2 LYS 22 HD2 LYS 22 -3.330 6.446 8.216 164 HD3 LYS 22 HD3 LYS 22 -3.595 8.182 8.369 165 HE2 LYS 22 HE2 LYS 22 -5.584 8.082 7.071 166 HE3 LYS 22 HE3 LYS 22 -5.236 6.437 6.536 167 HZ1 LYS 22 HZ1 LYS 22 -5.529 5.671 8.805 168 HZ2 LYS 22 HZ2 LYS 22 -6.921 6.472 8.267 169 HZ3 LYS 22 HZ3 LYS 22 -5.854 7.247 9.322 170 H TYR 23 H TYR 23 0.079 7.884 5.100 171 HA TYR 23 HA TYR 23 1.603 5.568 6.103 172 HB2 TYR 23 HB2 TYR 23 2.825 7.036 4.586 173 HB3 TYR 23 HB3 TYR 23 2.486 8.422 5.615 174 HD1 TYR 23 HD1 TYR 23 3.865 4.970 6.108 175 HD2 TYR 23 HD2 TYR 23 4.325 9.140 6.833 176 HE1 TYR 23 HE1 TYR 23 5.933 4.520 7.350 177 HE2 TYR 23 HE2 TYR 23 6.400 8.700 8.076 178 HH TYR 23 HH TYR 23 7.552 6.959 9.197 179 H ASP 24 H ASP 24 1.826 5.178 8.219 180 HA ASP 24 HA ASP 24 1.370 7.374 10.136 181 HB2 ASP 24 HB2 ASP 24 -0.658 6.059 10.141 182 HB3 ASP 24 HB3 ASP 24 0.259 4.562 10.291 183 H GLU 25 H GLU 25 3.191 7.694 11.265 184 HA GLU 25 HA GLU 25 5.296 5.767 11.412 185 HB2 GLU 25 HB2 GLU 25 5.744 8.184 11.411 186 HB3 GLU 25 HB3 GLU 25 4.921 8.345 12.958 187 HG2 GLU 25 HG2 GLU 25 6.617 6.888 13.992 188 HG3 GLU 25 HG3 GLU 25 7.454 6.788 12.445 189 H GLU 26 H GLU 26 2.674 6.665 13.569 190 HA GLU 26 HA GLU 26 3.604 5.674 15.997 191 HB2 GLU 26 HB2 GLU 26 0.757 5.623 14.966 192 HB3 GLU 26 HB3 GLU 26 1.236 5.459 16.649 193 HG2 GLU 26 HG2 GLU 26 1.630 7.890 14.911 194 HG3 GLU 26 HG3 GLU 26 0.437 7.701 16.192 195 H SER 27 H SER 27 1.993 3.930 13.362 196 HA SER 27 HA SER 27 2.540 1.371 14.693 197 HB2 SER 27 HB2 SER 27 1.250 0.363 12.856 198 HB3 SER 27 HB3 SER 27 0.334 1.661 13.619 199 HG SER 27 HG SER 27 0.590 2.910 11.875 200 H GLY 28 H GLY 28 3.684 3.392 12.096 201 HA2 GLY 28 HA2 GLY 28 5.783 3.278 11.068 202 HA3 GLY 28 HA3 GLY 28 5.999 1.664 11.725 203 H PHE 29 H PHE 29 2.990 2.103 10.173 204 HA PHE 29 HA PHE 29 4.006 0.672 7.787 205 HB2 PHE 29 HB2 PHE 29 1.396 0.191 9.243 206 HB3 PHE 29 HB3 PHE 29 1.925 -0.641 7.789 207 HD1 PHE 29 HD1 PHE 29 4.091 -2.024 7.948 208 HD2 PHE 29 HD2 PHE 29 1.919 -0.658 11.348 209 HE1 PHE 29 HE1 PHE 29 5.166 -3.753 9.324 210 HE2 PHE 29 HE2 PHE 29 2.998 -2.385 12.730 211 HZ PHE 29 HZ PHE 29 4.623 -3.936 11.718 212 H TYR 30 H TYR 30 2.443 0.671 5.945 213 HA TYR 30 HA TYR 30 0.969 3.203 5.670 214 HB2 TYR 30 HB2 TYR 30 2.062 1.221 3.674 215 HB3 TYR 30 HB3 TYR 30 0.802 2.355 3.206 216 HD1 TYR 30 HD1 TYR 30 4.294 2.113 4.446 217 HD2 TYR 30 HD2 TYR 30 1.318 4.616 2.709 218 HE1 TYR 30 HE1 TYR 30 6.001 3.823 3.986 219 HE2 TYR 30 HE2 TYR 30 3.017 6.328 2.247 220 HH TYR 30 HH TYR 30 5.212 7.019 3.069 221 H GLU 31 H GLU 31 -1.228 3.238 5.558 222 HA GLU 31 HA GLU 31 -2.662 0.690 5.830 223 HB2 GLU 31 HB2 GLU 31 -3.708 3.510 6.208 224 HB3 GLU 31 HB3 GLU 31 -4.544 2.020 6.622 225 HG2 GLU 31 HG2 GLU 31 -2.734 1.551 8.279 226 HG3 GLU 31 HG3 GLU 31 -2.078 3.151 7.933 227 H PHE 32 H PHE 32 -3.622 -0.170 4.084 228 HA PHE 32 HA PHE 32 -5.029 1.557 2.194 229 HB2 PHE 32 HB2 PHE 32 -3.969 0.504 0.221 230 HB3 PHE 32 HB3 PHE 32 -2.809 1.405 1.193 231 HD1 PHE 32 HD1 PHE 32 -1.276 0.133 2.739 232 HD2 PHE 32 HD2 PHE 32 -3.660 -1.790 -0.226 233 HE1 PHE 32 HE1 PHE 32 0.164 -1.855 2.870 234 HE2 PHE 32 HE2 PHE 32 -2.222 -3.777 -0.095 235 HZ PHE 32 HZ PHE 32 -0.308 -3.813 1.449 236 H LYS 33 H LYS 33 -6.700 0.533 1.066 237 HA LYS 33 HA LYS 33 -7.467 -2.083 2.180 238 HB2 LYS 33 HB2 LYS 33 -9.022 -0.194 2.469 239 HB3 LYS 33 HB3 LYS 33 -9.134 -0.023 0.720 240 HG2 LYS 33 HG2 LYS 33 -10.099 -2.295 0.587 241 HG3 LYS 33 HG3 LYS 33 -10.040 -2.399 2.349 242 HD2 LYS 33 HD2 LYS 33 -11.615 -0.391 0.727 243 HD3 LYS 33 HD3 LYS 33 -12.275 -1.776 1.600 244 HE2 LYS 33 HE2 LYS 33 -11.628 -0.824 3.714 245 HE3 LYS 33 HE3 LYS 33 -10.759 0.485 2.912 246 HZ1 LYS 33 HZ1 LYS 33 -12.911 1.210 3.719 247 HZ2 LYS 33 HZ2 LYS 33 -13.690 0.033 2.789 248 HZ3 LYS 33 HZ3 LYS 33 -12.853 1.292 2.032 249 H GLN 34 H GLN 34 -7.031 -3.797 0.970 250 HA GLN 34 HA GLN 34 -6.275 -3.800 -1.729 251 HB2 GLN 34 HB2 GLN 34 -7.376 -6.034 -0.008 252 HB3 GLN 34 HB3 GLN 34 -6.619 -6.274 -1.577 253 HG2 GLN 34 HG2 GLN 34 -4.510 -5.522 -0.763 254 HG3 GLN 34 HG3 GLN 34 -5.228 -4.961 0.746 255 HE21 GLN 34 HE21 GLN 34 -5.751 -6.449 2.339 256 HE22 GLN 34 HE22 GLN 34 -5.165 -8.076 2.306 257 H LEU 35 H LEU 35 -7.375 -4.987 -3.527 258 HA LEU 35 HA LEU 35 -9.801 -3.856 -4.258 259 HB2 LEU 35 HB2 LEU 35 -8.679 -6.500 -5.205 260 HB3 LEU 35 HB3 LEU 35 -9.934 -5.583 -6.014 261 HG LEU 35 HG LEU 35 -7.041 -4.762 -5.681 262 HD11 LEU 35 HD11 LEU 35 -7.371 -6.503 -7.345 263 HD12 LEU 35 HD12 LEU 35 -6.966 -4.974 -8.122 264 HD13 LEU 35 HD13 LEU 35 -8.634 -5.549 -8.124 265 HD21 LEU 35 HD21 LEU 35 -7.625 -2.845 -7.125 266 HD22 LEU 35 HD22 LEU 35 -8.441 -2.786 -5.562 267 HD23 LEU 35 HD23 LEU 35 -9.329 -3.289 -7.000 268 H ASP 36 H ASP 36 -9.218 -6.807 -2.456 269 HA ASP 36 HA ASP 36 -11.867 -7.865 -2.651 270 HB2 ASP 36 HB2 ASP 36 -9.728 -8.433 -0.584 271 HB3 ASP 36 HB3 ASP 36 -11.137 -9.434 -0.925 272 H GLY 37 H GLY 37 -10.963 -5.078 -1.186 273 HA2 GLY 37 HA2 GLY 37 -12.054 -3.733 0.358 274 HA3 GLY 37 HA3 GLY 37 -13.199 -5.038 0.633 275 H LYS 38 H LYS 38 -9.791 -5.624 0.888 276 HA LYS 38 HA LYS 38 -10.076 -6.018 3.796 277 HB2 LYS 38 HB2 LYS 38 -8.093 -7.219 1.846 278 HB3 LYS 38 HB3 LYS 38 -8.138 -7.547 3.573 279 HG2 LYS 38 HG2 LYS 38 -10.353 -8.543 3.344 280 HG3 LYS 38 HG3 LYS 38 -10.346 -8.180 1.618 281 HD2 LYS 38 HD2 LYS 38 -9.775 -10.523 2.026 282 HD3 LYS 38 HD3 LYS 38 -8.417 -9.659 1.307 283 HE2 LYS 38 HE2 LYS 38 -7.331 -9.487 3.467 284 HE3 LYS 38 HE3 LYS 38 -8.730 -10.208 4.262 285 HZ1 LYS 38 HZ1 LYS 38 -7.014 -11.576 2.258 286 HZ2 LYS 38 HZ2 LYS 38 -8.318 -12.259 3.088 287 HZ3 LYS 38 HZ3 LYS 38 -6.925 -11.798 3.927 288 H GLN 39 H GLN 39 -9.368 -4.277 4.876 289 HA GLN 39 HA GLN 39 -7.299 -2.557 3.812 290 HB2 GLN 39 HB2 GLN 39 -9.348 -1.741 5.038 291 HB3 GLN 39 HB3 GLN 39 -8.657 -2.402 6.514 292 HG2 GLN 39 HG2 GLN 39 -6.750 -0.892 6.313 293 HG3 GLN 39 HG3 GLN 39 -7.401 -0.253 4.804 294 HE21 GLN 39 HE21 GLN 39 -7.605 1.835 5.553 295 HE22 GLN 39 HE22 GLN 39 -8.754 2.294 6.758 296 H THR 40 H THR 40 -5.216 -3.086 4.019 297 HA THR 40 HA THR 40 -4.296 -4.412 6.500 298 HB THR 40 HB THR 40 -4.276 -6.076 4.737 299 HG1 THR 40 HG1 THR 40 -2.254 -6.747 5.145 300 HG21 THR 40 HG21 THR 40 -4.167 -4.587 2.788 301 HG22 THR 40 HG22 THR 40 -2.905 -5.818 2.720 302 HG23 THR 40 HG23 THR 40 -2.503 -4.169 3.197 303 H ARG 41 H ARG 41 -1.859 -4.254 6.765 304 HA ARG 41 HA ARG 41 -0.925 -1.555 6.006 305 HB2 ARG 41 HB2 ARG 41 -0.755 -2.887 8.721 306 HB3 ARG 41 HB3 ARG 41 0.066 -1.389 8.302 307 HG2 ARG 41 HG2 ARG 41 -2.023 -0.248 7.998 308 HG3 ARG 41 HG3 ARG 41 -2.924 -1.754 8.173 309 HD2 ARG 41 HD2 ARG 41 -2.247 -1.937 10.494 310 HD3 ARG 41 HD3 ARG 41 -1.217 -0.513 10.337 311 HE ARG 41 HE ARG 41 -3.347 0.735 9.899 312 HH11 ARG 41 HH11 ARG 41 -3.431 -2.214 11.696 313 HH12 ARG 41 HH12 ARG 41 -4.811 -1.717 12.615 314 HH21 ARG 41 HH21 ARG 41 -5.095 1.333 11.069 315 HH22 ARG 41 HH22 ARG 41 -5.729 0.267 12.282 316 H ILE 42 H ILE 42 1.056 -1.528 5.082 317 HA ILE 42 HA ILE 42 2.843 -3.851 5.516 318 HB ILE 42 HB ILE 42 1.908 -3.648 3.193 319 HG12 ILE 42 HG12 ILE 42 4.920 -3.336 3.427 320 HG13 ILE 42 HG13 ILE 42 4.034 -4.838 3.677 321 HG21 ILE 42 HG21 ILE 42 1.875 -1.204 3.025 322 HG22 ILE 42 HG22 ILE 42 2.803 -1.917 1.707 323 HG23 ILE 42 HG23 ILE 42 3.639 -1.170 3.068 324 HD11 ILE 42 HD11 ILE 42 4.214 -3.293 1.101 325 HD12 ILE 42 HD12 ILE 42 3.308 -4.787 1.346 326 HD13 ILE 42 HD13 ILE 42 5.065 -4.787 1.493 327 H ASN 43 H ASN 43 5.181 -3.418 5.458 328 HA ASN 43 HA ASN 43 5.803 -1.259 7.178 329 HB2 ASN 43 HB2 ASN 43 6.980 -3.495 7.079 330 HB3 ASN 43 HB3 ASN 43 7.819 -2.909 5.646 331 HD21 ASN 43 HD21 ASN 43 9.821 -3.039 6.687 332 HD22 ASN 43 HD22 ASN 43 10.292 -1.912 7.906 333 H LYS 44 H LYS 44 7.202 0.513 6.889 334 HA LYS 44 HA LYS 44 6.478 2.091 4.687 335 HB2 LYS 44 HB2 LYS 44 8.066 3.761 5.642 336 HB3 LYS 44 HB3 LYS 44 6.921 3.108 6.805 337 HG2 LYS 44 HG2 LYS 44 8.646 1.599 7.669 338 HG3 LYS 44 HG3 LYS 44 9.800 2.248 6.505 339 HD2 LYS 44 HD2 LYS 44 8.398 4.009 8.513 340 HD3 LYS 44 HD3 LYS 44 9.885 3.153 8.906 341 HE2 LYS 44 HE2 LYS 44 10.537 5.329 8.248 342 HE3 LYS 44 HE3 LYS 44 10.925 4.277 6.892 343 HZ1 LYS 44 HZ1 LYS 44 8.475 5.944 7.070 344 HZ2 LYS 44 HZ2 LYS 44 8.993 5.044 5.732 345 HZ3 LYS 44 HZ3 LYS 44 9.877 6.391 6.241 346 H ASP 45 H ASP 45 9.409 0.158 5.131 347 HA ASP 45 HA ASP 45 10.817 1.618 3.052 348 HB2 ASP 45 HB2 ASP 45 12.686 0.109 3.506 349 HB3 ASP 45 HB3 ASP 45 12.059 0.803 4.997 350 H GLN 46 H GLN 46 8.631 -0.951 3.112 351 HA GLN 46 HA GLN 46 9.695 -2.491 0.936 352 HB2 GLN 46 HB2 GLN 46 6.968 -2.466 2.239 353 HB3 GLN 46 HB3 GLN 46 7.448 -3.608 0.989 354 HG2 GLN 46 HG2 GLN 46 8.769 -3.312 3.687 355 HG3 GLN 46 HG3 GLN 46 7.602 -4.558 3.247 356 HE21 GLN 46 HE21 GLN 46 8.234 -6.211 1.851 357 HE22 GLN 46 HE22 GLN 46 9.888 -6.523 1.480 358 H VAL 47 H VAL 47 7.576 0.271 1.169 359 HA VAL 47 HA VAL 47 6.352 -0.076 -1.411 360 HB VAL 47 HB VAL 47 5.119 1.082 0.332 361 HG11 VAL 47 HG11 VAL 47 6.985 2.080 1.547 362 HG12 VAL 47 HG12 VAL 47 5.765 3.290 1.155 363 HG13 VAL 47 HG13 VAL 47 7.259 3.211 0.221 364 HG21 VAL 47 HG21 VAL 47 5.846 2.949 -1.937 365 HG22 VAL 47 HG22 VAL 47 4.413 3.084 -0.915 366 HG23 VAL 47 HG23 VAL 47 4.612 1.690 -1.976 367 H ARG 48 H ARG 48 7.471 0.175 -3.258 368 HA ARG 48 HA ARG 48 9.669 2.055 -3.468 369 HB2 ARG 48 HB2 ARG 48 9.718 -0.123 -4.669 370 HB3 ARG 48 HB3 ARG 48 8.361 0.411 -5.653 371 HG2 ARG 48 HG2 ARG 48 9.782 2.324 -6.436 372 HG3 ARG 48 HG3 ARG 48 11.137 1.587 -5.582 373 HD2 ARG 48 HD2 ARG 48 10.857 -0.449 -6.966 374 HD3 ARG 48 HD3 ARG 48 9.560 0.356 -7.851 375 HE ARG 48 HE ARG 48 12.272 1.502 -7.791 376 HH11 ARG 48 HH11 ARG 48 9.616 0.229 -9.599 377 HH12 ARG 48 HH12 ARG 48 10.296 0.699 -11.116 378 HH21 ARG 48 HH21 ARG 48 13.106 2.100 -9.727 379 HH22 ARG 48 HH22 ARG 48 12.242 1.756 -11.189 380 H THR 49 H THR 49 6.554 1.678 -5.197 381 HA THR 49 HA THR 49 6.511 4.601 -5.659 382 HB THR 49 HB THR 49 5.671 4.279 -7.923 383 HG1 THR 49 HG1 THR 49 5.422 2.223 -8.794 384 HG21 THR 49 HG21 THR 49 8.109 4.386 -7.640 385 HG22 THR 49 HG22 THR 49 7.664 3.356 -9.003 386 HG23 THR 49 HG23 THR 49 8.168 2.632 -7.477 387 H VAL 50 H VAL 50 4.380 5.469 -6.192 388 HA VAL 50 HA VAL 50 2.069 3.782 -5.481 389 HB VAL 50 HB VAL 50 2.530 6.579 -4.389 390 HG11 VAL 50 HG11 VAL 50 0.191 4.705 -3.997 391 HG12 VAL 50 HG12 VAL 50 0.183 6.210 -4.919 392 HG13 VAL 50 HG13 VAL 50 0.423 6.249 -3.173 393 HG21 VAL 50 HG21 VAL 50 2.421 3.924 -2.938 394 HG22 VAL 50 HG22 VAL 50 2.576 5.511 -2.182 395 HG23 VAL 50 HG23 VAL 50 3.867 4.896 -3.212 396 H LYS 51 H LYS 51 0.987 3.727 -7.393 397 HA LYS 51 HA LYS 51 0.275 6.307 -8.637 398 HB2 LYS 51 HB2 LYS 51 1.244 3.830 -10.073 399 HB3 LYS 51 HB3 LYS 51 0.373 5.124 -10.885 400 HG2 LYS 51 HG2 LYS 51 2.171 6.695 -10.104 401 HG3 LYS 51 HG3 LYS 51 3.068 5.280 -9.552 402 HD2 LYS 51 HD2 LYS 51 3.264 4.426 -11.763 403 HD3 LYS 51 HD3 LYS 51 2.085 5.582 -12.388 404 HE2 LYS 51 HE2 LYS 51 4.800 6.285 -11.264 405 HE3 LYS 51 HE3 LYS 51 4.399 6.187 -12.978 406 HZ1 LYS 51 HZ1 LYS 51 3.189 8.071 -11.021 407 HZ2 LYS 51 HZ2 LYS 51 2.798 7.980 -12.665 408 HZ3 LYS 51 HZ3 LYS 51 4.343 8.466 -12.191 409 H ASP 52 H ASP 52 -1.695 6.351 -9.812 410 HA ASP 52 HA ASP 52 -3.747 4.681 -8.675 411 HB2 ASP 52 HB2 ASP 52 -3.935 6.793 -10.844 412 HB3 ASP 52 HB3 ASP 52 -5.295 6.071 -9.990 413 H LEU 53 H LEU 53 -5.295 3.462 -9.939 414 HA LEU 53 HA LEU 53 -4.157 2.168 -12.307 415 HB2 LEU 53 HB2 LEU 53 -6.629 1.556 -10.673 416 HB3 LEU 53 HB3 LEU 53 -6.132 0.642 -12.086 417 HG LEU 53 HG LEU 53 -4.557 0.890 -9.513 418 HD11 LEU 53 HD11 LEU 53 -6.126 -1.427 -10.651 419 HD12 LEU 53 HD12 LEU 53 -6.545 -0.479 -9.224 420 HD13 LEU 53 HD13 LEU 53 -5.099 -1.487 -9.216 421 HD21 LEU 53 HD21 LEU 53 -3.099 -0.828 -10.492 422 HD22 LEU 53 HD22 LEU 53 -3.084 0.659 -11.440 423 HD23 LEU 53 HD23 LEU 53 -4.006 -0.736 -12.002 424 H LEU 54 H LEU 54 -6.005 4.831 -11.694 425 HA LEU 54 HA LEU 54 -7.696 4.536 -14.090 426 HB2 LEU 54 HB2 LEU 54 -7.877 6.524 -11.817 427 HB3 LEU 54 HB3 LEU 54 -8.980 6.437 -13.179 428 HG LEU 54 HG LEU 54 -8.606 4.314 -11.056 429 HD11 LEU 54 HD11 LEU 54 -10.920 6.167 -11.624 430 HD12 LEU 54 HD12 LEU 54 -9.830 6.252 -10.240 431 HD13 LEU 54 HD13 LEU 54 -10.907 4.870 -10.428 432 HD21 LEU 54 HD21 LEU 54 -9.084 3.261 -13.179 433 HD22 LEU 54 HD22 LEU 54 -10.421 4.375 -13.469 434 HD23 LEU 54 HD23 LEU 54 -10.520 3.199 -12.159 435 H GLU 55 H GLU 55 -4.713 5.592 -13.560 436 HA GLU 55 HA GLU 55 -4.929 8.103 -15.056 437 HB2 GLU 55 HB2 GLU 55 -2.418 8.227 -14.610 438 HB3 GLU 55 HB3 GLU 55 -3.485 8.369 -13.223 439 HG2 GLU 55 HG2 GLU 55 -3.005 6.136 -12.524 440 HG3 GLU 55 HG3 GLU 55 -2.134 5.797 -14.019 Start of MODEL 13 1 H1 MET 1 H1 MET 1 -13.518 9.411 0.211 2 H2 MET 1 H2 MET 1 -14.654 8.536 -0.679 3 H3 MET 1 H3 MET 1 -14.763 10.220 -0.596 4 HA MET 1 HA MET 1 -13.883 9.527 -2.723 5 HB2 MET 1 HB2 MET 1 -11.771 10.827 -0.980 6 HB3 MET 1 HB3 MET 1 -11.844 10.902 -2.735 7 HG2 MET 1 HG2 MET 1 -13.959 12.128 -2.591 8 HG3 MET 1 HG3 MET 1 -13.871 12.061 -0.832 9 HE1 MET 1 HE1 MET 1 -10.648 12.451 -0.470 10 HE2 MET 1 HE2 MET 1 -11.853 13.210 0.572 11 HE3 MET 1 HE3 MET 1 -10.594 14.190 -0.178 12 H ALA 2 H ALA 2 -13.592 7.286 -3.021 13 HA ALA 2 HA ALA 2 -11.037 6.146 -2.142 14 HB1 ALA 2 HB1 ALA 2 -11.911 3.999 -2.851 15 HB2 ALA 2 HB2 ALA 2 -13.336 4.779 -3.547 16 HB3 ALA 2 HB3 ALA 2 -13.077 4.808 -1.802 17 H SER 3 H SER 3 -9.565 5.194 -3.621 18 HA SER 3 HA SER 3 -9.859 5.826 -6.462 19 HB2 SER 3 HB2 SER 3 -8.788 7.843 -5.580 20 HB3 SER 3 HB3 SER 3 -7.550 6.870 -4.785 21 HG SER 3 HG SER 3 -6.487 6.886 -6.593 22 HA PRO 4 HA PRO 4 -7.764 1.866 -6.600 23 HB2 PRO 4 HB2 PRO 4 -7.238 1.793 -9.278 24 HB3 PRO 4 HB3 PRO 4 -8.832 1.454 -8.596 25 HG2 PRO 4 HG2 PRO 4 -7.803 3.983 -9.834 26 HG3 PRO 4 HG3 PRO 4 -9.377 3.194 -10.046 27 HD2 PRO 4 HD2 PRO 4 -9.028 5.327 -8.409 28 HD3 PRO 4 HD3 PRO 4 -10.216 4.052 -8.067 29 H THR 5 H THR 5 -5.773 1.772 -5.764 30 HA THR 5 HA THR 5 -3.601 3.331 -7.035 31 HB THR 5 HB THR 5 -4.013 2.819 -4.071 32 HG1 THR 5 HG1 THR 5 -4.488 4.973 -5.774 33 HG21 THR 5 HG21 THR 5 -1.631 2.664 -4.637 34 HG22 THR 5 HG22 THR 5 -1.969 4.135 -3.725 35 HG23 THR 5 HG23 THR 5 -1.723 4.217 -5.469 36 H VAL 6 H VAL 6 -1.948 2.145 -7.744 37 HA VAL 6 HA VAL 6 -1.611 -0.604 -6.785 38 HB VAL 6 HB VAL 6 -1.732 -0.383 -9.195 39 HG11 VAL 6 HG11 VAL 6 -0.968 1.920 -9.446 40 HG12 VAL 6 HG12 VAL 6 -0.050 0.841 -10.497 41 HG13 VAL 6 HG13 VAL 6 0.671 1.440 -9.003 42 HG21 VAL 6 HG21 VAL 6 0.363 -1.508 -9.826 43 HG22 VAL 6 HG22 VAL 6 -0.290 -2.139 -8.313 44 HG23 VAL 6 HG23 VAL 6 1.079 -1.028 -8.288 45 H ILE 7 H ILE 7 -0.186 -0.961 -5.227 46 HA ILE 7 HA ILE 7 2.013 0.942 -4.788 47 HB ILE 7 HB ILE 7 0.924 -1.224 -2.969 48 HG12 ILE 7 HG12 ILE 7 0.665 1.797 -2.842 49 HG13 ILE 7 HG13 ILE 7 -0.617 0.676 -3.286 50 HG21 ILE 7 HG21 ILE 7 2.349 -0.208 -1.228 51 HG22 ILE 7 HG22 ILE 7 3.038 0.874 -2.438 52 HG23 ILE 7 HG23 ILE 7 3.301 -0.866 -2.558 53 HD11 ILE 7 HD11 ILE 7 -0.878 1.452 -1.007 54 HD12 ILE 7 HD12 ILE 7 0.726 0.848 -0.595 55 HD13 ILE 7 HD13 ILE 7 -0.556 -0.281 -1.035 56 H THR 8 H THR 8 3.858 0.408 -5.787 57 HA THR 8 HA THR 8 4.566 -2.349 -6.367 58 HB THR 8 HB THR 8 6.091 0.228 -6.860 59 HG1 THR 8 HG1 THR 8 5.477 -0.410 -9.110 60 HG21 THR 8 HG21 THR 8 7.655 -1.631 -6.695 61 HG22 THR 8 HG22 THR 8 7.497 -1.129 -8.378 62 HG23 THR 8 HG23 THR 8 6.676 -2.584 -7.813 63 H LEU 9 H LEU 9 5.649 -3.612 -4.989 64 HA LEU 9 HA LEU 9 6.967 -2.471 -2.655 65 HB2 LEU 9 HB2 LEU 9 6.567 -5.368 -3.424 66 HB3 LEU 9 HB3 LEU 9 7.164 -4.788 -1.879 67 HG LEU 9 HG LEU 9 4.382 -4.393 -2.997 68 HD11 LEU 9 HD11 LEU 9 4.787 -6.641 -2.164 69 HD12 LEU 9 HD12 LEU 9 3.695 -5.768 -1.090 70 HD13 LEU 9 HD13 LEU 9 5.387 -5.988 -0.638 71 HD21 LEU 9 HD21 LEU 9 3.865 -3.334 -0.832 72 HD22 LEU 9 HD22 LEU 9 5.033 -2.404 -1.770 73 HD23 LEU 9 HD23 LEU 9 5.578 -3.386 -0.409 74 H ASN 10 H ASN 10 9.046 -3.605 -1.943 75 HA ASN 10 HA ASN 10 11.174 -2.928 -3.559 76 HB2 ASN 10 HB2 ASN 10 11.358 -3.331 -1.147 77 HB3 ASN 10 HB3 ASN 10 11.094 -5.053 -1.401 78 HD21 ASN 10 HD21 ASN 10 13.058 -5.602 -0.486 79 HD22 ASN 10 HD22 ASN 10 14.564 -5.312 -1.279 80 H ASP 11 H ASP 11 9.608 -6.099 -3.296 81 HA ASP 11 HA ASP 11 11.421 -7.573 -4.875 82 HB2 ASP 11 HB2 ASP 11 8.458 -8.067 -4.497 83 HB3 ASP 11 HB3 ASP 11 9.664 -9.256 -4.979 84 H GLY 12 H GLY 12 9.240 -5.152 -5.860 85 HA2 GLY 12 HA2 GLY 12 8.775 -4.460 -8.071 86 HA3 GLY 12 HA3 GLY 12 9.290 -6.038 -8.657 87 H ARG 13 H ARG 13 7.404 -6.692 -6.099 88 HA ARG 13 HA ARG 13 5.169 -7.586 -7.630 89 HB2 ARG 13 HB2 ARG 13 5.943 -8.790 -5.633 90 HB3 ARG 13 HB3 ARG 13 5.561 -7.397 -4.628 91 HG2 ARG 13 HG2 ARG 13 3.165 -7.666 -5.266 92 HG3 ARG 13 HG3 ARG 13 3.608 -9.142 -6.130 93 HD2 ARG 13 HD2 ARG 13 4.439 -10.116 -4.037 94 HD3 ARG 13 HD3 ARG 13 4.013 -8.637 -3.174 95 HE ARG 13 HE ARG 13 1.922 -10.167 -4.559 96 HH11 ARG 13 HH11 ARG 13 3.274 -8.984 -1.614 97 HH12 ARG 13 HH12 ARG 13 1.890 -9.433 -0.683 98 HH21 ARG 13 HH21 ARG 13 0.156 -10.703 -3.342 99 HH22 ARG 13 HH22 ARG 13 0.150 -10.361 -1.644 100 H GLU 14 H GLU 14 3.173 -6.694 -7.883 101 HA GLU 14 HA GLU 14 2.801 -3.946 -6.890 102 HB2 GLU 14 HB2 GLU 14 1.495 -5.423 -9.187 103 HB3 GLU 14 HB3 GLU 14 1.104 -3.775 -8.710 104 HG2 GLU 14 HG2 GLU 14 3.342 -3.040 -9.256 105 HG3 GLU 14 HG3 GLU 14 3.827 -4.695 -9.619 106 H ILE 15 H ILE 15 1.182 -3.448 -5.509 107 HA ILE 15 HA ILE 15 -0.850 -5.507 -4.902 108 HB ILE 15 HB ILE 15 0.025 -3.142 -3.215 109 HG12 ILE 15 HG12 ILE 15 0.528 -6.116 -2.858 110 HG13 ILE 15 HG13 ILE 15 1.731 -4.918 -3.326 111 HG21 ILE 15 HG21 ILE 15 -1.381 -4.140 -1.457 112 HG22 ILE 15 HG22 ILE 15 -1.927 -5.367 -2.599 113 HG23 ILE 15 HG23 ILE 15 -2.329 -3.673 -2.868 114 HD11 ILE 15 HD11 ILE 15 0.270 -5.005 -0.693 115 HD12 ILE 15 HD12 ILE 15 1.491 -3.822 -1.165 116 HD13 ILE 15 HD13 ILE 15 1.932 -5.520 -0.982 117 H GLN 16 H GLN 16 -2.897 -5.136 -5.504 118 HA GLN 16 HA GLN 16 -3.572 -2.522 -6.653 119 HB2 GLN 16 HB2 GLN 16 -5.115 -5.123 -6.793 120 HB3 GLN 16 HB3 GLN 16 -5.432 -3.665 -7.725 121 HG2 GLN 16 HG2 GLN 16 -3.316 -3.922 -8.890 122 HG3 GLN 16 HG3 GLN 16 -2.937 -5.348 -7.923 123 HE21 GLN 16 HE21 GLN 16 -4.813 -4.089 -10.548 124 HE22 GLN 16 HE22 GLN 16 -5.405 -5.609 -11.113 125 H ALA 17 H ALA 17 -4.472 -1.105 -5.285 126 HA ALA 17 HA ALA 17 -6.438 -2.082 -3.305 127 HB1 ALA 17 HB1 ALA 17 -4.753 0.424 -3.207 128 HB2 ALA 17 HB2 ALA 17 -4.447 -1.064 -2.308 129 HB3 ALA 17 HB3 ALA 17 -5.893 -0.111 -1.969 130 H VAL 18 H VAL 18 -8.389 -0.947 -3.012 131 HA VAL 18 HA VAL 18 -9.238 0.743 -5.266 132 HB VAL 18 HB VAL 18 -11.531 0.464 -4.364 133 HG11 VAL 18 HG11 VAL 18 -10.070 -2.145 -4.763 134 HG12 VAL 18 HG12 VAL 18 -10.701 -1.103 -6.039 135 HG13 VAL 18 HG13 VAL 18 -11.810 -1.898 -4.919 136 HG21 VAL 18 HG21 VAL 18 -10.222 -1.341 -2.318 137 HG22 VAL 18 HG22 VAL 18 -11.958 -1.134 -2.551 138 HG23 VAL 18 HG23 VAL 18 -10.977 0.223 -1.995 139 H ASP 19 H ASP 19 -7.750 1.312 -2.467 140 HA ASP 19 HA ASP 19 -9.074 3.888 -2.009 141 HB2 ASP 19 HB2 ASP 19 -9.740 1.854 -0.404 142 HB3 ASP 19 HB3 ASP 19 -8.241 2.302 0.388 143 H THR 20 H THR 20 -7.662 5.296 -0.526 144 HA THR 20 HA THR 20 -5.009 5.271 -1.686 145 HB THR 20 HB THR 20 -4.688 7.446 -0.567 146 HG1 THR 20 HG1 THR 20 -6.583 6.585 1.077 147 HG21 THR 20 HG21 THR 20 -5.769 7.399 -2.752 148 HG22 THR 20 HG22 THR 20 -6.450 8.683 -1.751 149 HG23 THR 20 HG23 THR 20 -7.345 7.181 -1.982 150 HA PRO 21 HA PRO 21 -2.926 3.396 1.767 151 HB2 PRO 21 HB2 PRO 21 -0.375 4.098 1.185 152 HB3 PRO 21 HB3 PRO 21 -1.262 2.875 0.266 153 HG2 PRO 21 HG2 PRO 21 -0.788 5.763 -0.392 154 HG3 PRO 21 HG3 PRO 21 -0.680 4.341 -1.449 155 HD2 PRO 21 HD2 PRO 21 -2.843 5.991 -1.412 156 HD3 PRO 21 HD3 PRO 21 -2.961 4.259 -1.781 157 H LYS 22 H LYS 22 -3.301 4.275 3.698 158 HA LYS 22 HA LYS 22 -2.582 7.012 4.352 159 HB2 LYS 22 HB2 LYS 22 -4.721 6.212 5.112 160 HB3 LYS 22 HB3 LYS 22 -3.992 4.801 5.864 161 HG2 LYS 22 HG2 LYS 22 -2.895 6.256 7.510 162 HG3 LYS 22 HG3 LYS 22 -3.654 7.666 6.760 163 HD2 LYS 22 HD2 LYS 22 -5.854 6.825 7.311 164 HD3 LYS 22 HD3 LYS 22 -5.168 5.321 7.930 165 HE2 LYS 22 HE2 LYS 22 -4.699 8.075 9.077 166 HE3 LYS 22 HE3 LYS 22 -5.795 6.863 9.738 167 HZ1 LYS 22 HZ1 LYS 22 -3.862 5.395 10.041 168 HZ2 LYS 22 HZ2 LYS 22 -3.725 6.831 10.926 169 HZ3 LYS 22 HZ3 LYS 22 -2.848 6.632 9.499 170 H TYR 23 H TYR 23 -0.519 7.416 4.901 171 HA TYR 23 HA TYR 23 1.161 5.370 6.090 172 HB2 TYR 23 HB2 TYR 23 2.124 6.798 4.379 173 HB3 TYR 23 HB3 TYR 23 1.728 8.242 5.305 174 HD1 TYR 23 HD1 TYR 23 3.714 5.083 5.558 175 HD2 TYR 23 HD2 TYR 23 3.373 9.175 6.699 176 HE1 TYR 23 HE1 TYR 23 5.923 4.968 6.622 177 HE2 TYR 23 HE2 TYR 23 5.589 9.064 7.764 178 HH TYR 23 HH TYR 23 7.770 6.625 7.196 179 H ASP 24 H ASP 24 1.320 5.054 8.228 180 HA ASP 24 HA ASP 24 0.731 7.269 10.066 181 HB2 ASP 24 HB2 ASP 24 -0.378 5.075 10.453 182 HB3 ASP 24 HB3 ASP 24 1.206 4.345 10.711 183 H GLU 25 H GLU 25 2.318 8.393 10.980 184 HA GLU 25 HA GLU 25 5.047 7.903 10.324 185 HB2 GLU 25 HB2 GLU 25 4.241 10.159 10.505 186 HB3 GLU 25 HB3 GLU 25 3.705 9.895 12.158 187 HG2 GLU 25 HG2 GLU 25 5.991 9.721 12.918 188 HG3 GLU 25 HG3 GLU 25 6.583 9.836 11.261 189 H GLU 26 H GLU 26 3.156 7.554 13.292 190 HA GLU 26 HA GLU 26 5.342 7.090 15.037 191 HB2 GLU 26 HB2 GLU 26 2.447 6.267 15.366 192 HB3 GLU 26 HB3 GLU 26 3.645 6.388 16.652 193 HG2 GLU 26 HG2 GLU 26 3.833 8.796 16.251 194 HG3 GLU 26 HG3 GLU 26 2.627 8.674 14.970 195 H SER 27 H SER 27 3.227 4.868 13.252 196 HA SER 27 HA SER 27 4.653 2.568 14.387 197 HB2 SER 27 HB2 SER 27 2.124 2.648 14.294 198 HB3 SER 27 HB3 SER 27 2.257 2.499 12.542 199 HG SER 27 HG SER 27 2.041 0.451 13.283 200 H GLY 28 H GLY 28 4.287 4.304 11.365 201 HA2 GLY 28 HA2 GLY 28 5.821 4.300 9.606 202 HA3 GLY 28 HA3 GLY 28 6.603 2.900 10.314 203 H PHE 29 H PHE 29 3.247 2.460 9.983 204 HA PHE 29 HA PHE 29 3.694 0.725 7.643 205 HB2 PHE 29 HB2 PHE 29 1.491 0.718 9.724 206 HB3 PHE 29 HB3 PHE 29 1.531 -0.350 8.327 207 HD1 PHE 29 HD1 PHE 29 3.397 -2.021 8.123 208 HD2 PHE 29 HD2 PHE 29 2.720 0.219 11.673 209 HE1 PHE 29 HE1 PHE 29 4.741 -3.638 9.396 210 HE2 PHE 29 HE2 PHE 29 4.063 -1.394 12.954 211 HZ PHE 29 HZ PHE 29 5.074 -3.328 11.816 212 H TYR 30 H TYR 30 2.231 0.693 5.892 213 HA TYR 30 HA TYR 30 0.553 3.082 5.545 214 HB2 TYR 30 HB2 TYR 30 1.596 1.025 3.583 215 HB3 TYR 30 HB3 TYR 30 0.404 2.240 3.143 216 HD1 TYR 30 HD1 TYR 30 3.878 1.840 4.442 217 HD2 TYR 30 HD2 TYR 30 1.096 4.379 2.444 218 HE1 TYR 30 HE1 TYR 30 5.692 3.410 3.901 219 HE2 TYR 30 HE2 TYR 30 2.910 5.947 1.903 220 HH TYR 30 HH TYR 30 5.178 6.539 2.841 221 H GLU 31 H GLU 31 -1.564 2.894 5.903 222 HA GLU 31 HA GLU 31 -2.828 0.246 5.978 223 HB2 GLU 31 HB2 GLU 31 -3.957 2.905 6.895 224 HB3 GLU 31 HB3 GLU 31 -4.565 1.301 7.287 225 HG2 GLU 31 HG2 GLU 31 -2.543 0.840 8.582 226 HG3 GLU 31 HG3 GLU 31 -1.902 2.425 8.158 227 H PHE 32 H PHE 32 -3.996 -0.393 4.217 228 HA PHE 32 HA PHE 32 -5.590 1.580 2.773 229 HB2 PHE 32 HB2 PHE 32 -4.688 0.858 0.559 230 HB3 PHE 32 HB3 PHE 32 -3.529 1.727 1.553 231 HD1 PHE 32 HD1 PHE 32 -1.739 0.434 2.760 232 HD2 PHE 32 HD2 PHE 32 -4.236 -1.327 -0.208 233 HE1 PHE 32 HE1 PHE 32 -0.113 -1.388 2.481 234 HE2 PHE 32 HE2 PHE 32 -2.614 -3.149 -0.490 235 HZ PHE 32 HZ PHE 32 -0.550 -3.186 0.852 236 H LYS 33 H LYS 33 -6.878 0.528 0.959 237 HA LYS 33 HA LYS 33 -7.984 -2.026 1.968 238 HB2 LYS 33 HB2 LYS 33 -9.421 0.008 2.191 239 HB3 LYS 33 HB3 LYS 33 -9.384 0.188 0.445 240 HG2 LYS 33 HG2 LYS 33 -10.458 -2.058 0.265 241 HG3 LYS 33 HG3 LYS 33 -10.629 -2.057 2.021 242 HD2 LYS 33 HD2 LYS 33 -11.780 0.037 0.166 243 HD3 LYS 33 HD3 LYS 33 -12.684 -1.329 0.808 244 HE2 LYS 33 HE2 LYS 33 -13.253 0.492 2.183 245 HE3 LYS 33 HE3 LYS 33 -12.095 -0.442 3.123 246 HZ1 LYS 33 HZ1 LYS 33 -11.435 2.001 1.557 247 HZ2 LYS 33 HZ2 LYS 33 -10.380 1.135 2.559 248 HZ3 LYS 33 HZ3 LYS 33 -11.694 1.956 3.227 249 H GLN 34 H GLN 34 -7.602 -3.721 0.633 250 HA GLN 34 HA GLN 34 -6.647 -3.337 -2.056 251 HB2 GLN 34 HB2 GLN 34 -7.339 -5.876 -0.558 252 HB3 GLN 34 HB3 GLN 34 -6.499 -5.806 -2.103 253 HG2 GLN 34 HG2 GLN 34 -4.643 -4.619 -1.072 254 HG3 GLN 34 HG3 GLN 34 -5.489 -4.608 0.473 255 HE21 GLN 34 HE21 GLN 34 -5.669 -6.536 1.639 256 HE22 GLN 34 HE22 GLN 34 -4.663 -7.900 1.304 257 H LEU 35 H LEU 35 -7.574 -4.883 -3.845 258 HA LEU 35 HA LEU 35 -10.106 -3.974 -4.613 259 HB2 LEU 35 HB2 LEU 35 -8.759 -6.524 -5.523 260 HB3 LEU 35 HB3 LEU 35 -10.073 -5.710 -6.348 261 HG LEU 35 HG LEU 35 -7.251 -4.675 -6.016 262 HD11 LEU 35 HD11 LEU 35 -7.160 -4.902 -8.456 263 HD12 LEU 35 HD12 LEU 35 -8.780 -5.597 -8.451 264 HD13 LEU 35 HD13 LEU 35 -7.450 -6.451 -7.666 265 HD21 LEU 35 HD21 LEU 35 -9.625 -3.390 -7.370 266 HD22 LEU 35 HD22 LEU 35 -7.960 -2.813 -7.452 267 HD23 LEU 35 HD23 LEU 35 -8.815 -2.817 -5.911 268 H ASP 36 H ASP 36 -9.229 -6.801 -2.743 269 HA ASP 36 HA ASP 36 -11.752 -8.135 -2.890 270 HB2 ASP 36 HB2 ASP 36 -9.703 -8.413 -0.682 271 HB3 ASP 36 HB3 ASP 36 -10.874 -9.612 -1.223 272 H GLY 37 H GLY 37 -10.829 -5.313 -1.311 273 HA2 GLY 37 HA2 GLY 37 -12.117 -3.982 0.127 274 HA3 GLY 37 HA3 GLY 37 -13.131 -5.370 0.485 275 H LYS 38 H LYS 38 -10.310 -6.748 0.843 276 HA LYS 38 HA LYS 38 -10.301 -6.649 3.683 277 HB2 LYS 38 HB2 LYS 38 -8.244 -7.773 1.768 278 HB3 LYS 38 HB3 LYS 38 -8.276 -8.067 3.501 279 HG2 LYS 38 HG2 LYS 38 -10.405 -9.220 3.294 280 HG3 LYS 38 HG3 LYS 38 -10.451 -8.865 1.568 281 HD2 LYS 38 HD2 LYS 38 -9.707 -11.156 1.952 282 HD3 LYS 38 HD3 LYS 38 -8.416 -10.192 1.236 283 HE2 LYS 38 HE2 LYS 38 -7.535 -11.612 3.001 284 HE3 LYS 38 HE3 LYS 38 -7.398 -9.916 3.458 285 HZ1 LYS 38 HZ1 LYS 38 -9.592 -11.703 4.359 286 HZ2 LYS 38 HZ2 LYS 38 -9.266 -10.137 4.905 287 HZ3 LYS 38 HZ3 LYS 38 -8.193 -11.394 5.259 288 H GLN 39 H GLN 39 -9.345 -5.231 5.002 289 HA GLN 39 HA GLN 39 -7.522 -3.231 3.970 290 HB2 GLN 39 HB2 GLN 39 -9.296 -2.694 5.645 291 HB3 GLN 39 HB3 GLN 39 -8.451 -3.697 6.818 292 HG2 GLN 39 HG2 GLN 39 -6.477 -2.210 6.594 293 HG3 GLN 39 HG3 GLN 39 -7.425 -1.172 5.530 294 HE21 GLN 39 HE21 GLN 39 -7.311 0.587 6.897 295 HE22 GLN 39 HE22 GLN 39 -8.129 0.656 8.414 296 H THR 40 H THR 40 -5.333 -3.053 4.419 297 HA THR 40 HA THR 40 -4.078 -5.016 6.194 298 HB THR 40 HB THR 40 -4.054 -6.182 4.060 299 HG1 THR 40 HG1 THR 40 -1.482 -5.772 3.830 300 HG21 THR 40 HG21 THR 40 -4.238 -4.224 2.574 301 HG22 THR 40 HG22 THR 40 -2.905 -5.280 2.104 302 HG23 THR 40 HG23 THR 40 -2.577 -3.778 2.969 303 H ARG 41 H ARG 41 -1.868 -4.539 6.734 304 HA ARG 41 HA ARG 41 -1.004 -1.774 6.128 305 HB2 ARG 41 HB2 ARG 41 -0.629 -3.148 8.802 306 HB3 ARG 41 HB3 ARG 41 -0.243 -1.479 8.400 307 HG2 ARG 41 HG2 ARG 41 -2.669 -1.056 8.052 308 HG3 ARG 41 HG3 ARG 41 -2.993 -2.701 8.605 309 HD2 ARG 41 HD2 ARG 41 -1.721 -0.464 10.189 310 HD3 ARG 41 HD3 ARG 41 -3.317 -1.168 10.441 311 HE ARG 41 HE ARG 41 -1.132 -3.042 10.666 312 HH11 ARG 41 HH11 ARG 41 -3.159 -0.820 12.350 313 HH12 ARG 41 HH12 ARG 41 -2.821 -1.510 13.894 314 HH21 ARG 41 HH21 ARG 41 -0.712 -3.921 12.640 315 HH22 ARG 41 HH22 ARG 41 -1.465 -3.275 14.056 316 H ILE 42 H ILE 42 1.035 -1.628 5.361 317 HA ILE 42 HA ILE 42 2.951 -3.796 5.966 318 HB ILE 42 HB ILE 42 2.072 -4.088 3.674 319 HG12 ILE 42 HG12 ILE 42 4.966 -3.182 3.668 320 HG13 ILE 42 HG13 ILE 42 4.412 -4.738 4.276 321 HG21 ILE 42 HG21 ILE 42 1.546 -1.782 3.134 322 HG22 ILE 42 HG22 ILE 42 2.633 -2.453 1.919 323 HG23 ILE 42 HG23 ILE 42 3.259 -1.360 3.153 324 HD11 ILE 42 HD11 ILE 42 5.320 -4.953 2.048 325 HD12 ILE 42 HD12 ILE 42 4.176 -3.757 1.438 326 HD13 ILE 42 HD13 ILE 42 3.593 -5.309 2.043 327 H ASN 43 H ASN 43 5.122 -3.170 6.243 328 HA ASN 43 HA ASN 43 5.376 -0.569 7.353 329 HB2 ASN 43 HB2 ASN 43 6.512 -2.602 8.251 330 HB3 ASN 43 HB3 ASN 43 7.593 -2.568 6.861 331 HD21 ASN 43 HD21 ASN 43 9.240 -1.100 6.816 332 HD22 ASN 43 HD22 ASN 43 9.641 -0.067 8.138 333 H LYS 44 H LYS 44 6.891 1.049 6.881 334 HA LYS 44 HA LYS 44 6.703 1.998 4.276 335 HB2 LYS 44 HB2 LYS 44 8.218 3.814 5.052 336 HB3 LYS 44 HB3 LYS 44 6.859 3.504 6.124 337 HG2 LYS 44 HG2 LYS 44 8.370 2.170 7.581 338 HG3 LYS 44 HG3 LYS 44 9.720 2.632 6.541 339 HD2 LYS 44 HD2 LYS 44 9.283 5.007 7.053 340 HD3 LYS 44 HD3 LYS 44 7.951 4.527 8.106 341 HE2 LYS 44 HE2 LYS 44 9.506 3.332 9.556 342 HE3 LYS 44 HE3 LYS 44 10.848 3.749 8.491 343 HZ1 LYS 44 HZ1 LYS 44 10.385 6.108 8.973 344 HZ2 LYS 44 HZ2 LYS 44 10.815 5.231 10.355 345 HZ3 LYS 44 HZ3 LYS 44 9.196 5.638 10.082 346 H ASP 45 H ASP 45 9.041 -0.222 5.421 347 HA ASP 45 HA ASP 45 11.183 0.649 3.695 348 HB2 ASP 45 HB2 ASP 45 12.345 -1.397 4.435 349 HB3 ASP 45 HB3 ASP 45 11.737 -0.456 5.787 350 H GLN 46 H GLN 46 8.560 -1.660 3.468 351 HA GLN 46 HA GLN 46 9.673 -3.070 1.216 352 HB2 GLN 46 HB2 GLN 46 6.865 -3.105 2.337 353 HB3 GLN 46 HB3 GLN 46 7.502 -4.235 1.150 354 HG2 GLN 46 HG2 GLN 46 8.512 -3.897 3.971 355 HG3 GLN 46 HG3 GLN 46 7.450 -5.184 3.406 356 HE21 GLN 46 HE21 GLN 46 10.113 -5.320 4.602 357 HE22 GLN 46 HE22 GLN 46 11.086 -6.195 3.476 358 H VAL 47 H VAL 47 7.545 -0.311 1.593 359 HA VAL 47 HA VAL 47 6.405 -0.456 -1.030 360 HB VAL 47 HB VAL 47 5.191 0.687 0.733 361 HG11 VAL 47 HG11 VAL 47 7.046 1.545 2.043 362 HG12 VAL 47 HG12 VAL 47 5.942 2.853 1.627 363 HG13 VAL 47 HG13 VAL 47 7.463 2.676 0.756 364 HG21 VAL 47 HG21 VAL 47 6.052 2.607 -1.441 365 HG22 VAL 47 HG22 VAL 47 4.600 2.757 -0.450 366 HG23 VAL 47 HG23 VAL 47 4.773 1.401 -1.564 367 H ARG 48 H ARG 48 7.544 -0.164 -2.842 368 HA ARG 48 HA ARG 48 9.885 1.542 -2.907 369 HB2 ARG 48 HB2 ARG 48 9.354 -0.716 -4.238 370 HB3 ARG 48 HB3 ARG 48 8.717 0.419 -5.420 371 HG2 ARG 48 HG2 ARG 48 10.980 -0.043 -6.007 372 HG3 ARG 48 HG3 ARG 48 10.933 1.599 -5.360 373 HD2 ARG 48 HD2 ARG 48 11.622 0.652 -3.140 374 HD3 ARG 48 HD3 ARG 48 11.848 -0.904 -3.934 375 HE ARG 48 HE ARG 48 13.334 1.463 -4.844 376 HH11 ARG 48 HH11 ARG 48 13.312 -1.749 -3.585 377 HH12 ARG 48 HH12 ARG 48 15.020 -1.930 -3.729 378 HH21 ARG 48 HH21 ARG 48 15.533 1.208 -5.006 379 HH22 ARG 48 HH22 ARG 48 16.258 -0.280 -4.519 380 H THR 49 H THR 49 6.787 1.483 -4.734 381 HA THR 49 HA THR 49 6.798 4.429 -4.810 382 HB THR 49 HB THR 49 6.240 4.497 -7.206 383 HG1 THR 49 HG1 THR 49 5.389 2.340 -7.374 384 HG21 THR 49 HG21 THR 49 8.593 4.758 -6.581 385 HG22 THR 49 HG22 THR 49 8.441 3.931 -8.132 386 HG23 THR 49 HG23 THR 49 8.821 3.012 -6.675 387 H VAL 50 H VAL 50 4.818 5.305 -4.536 388 HA VAL 50 HA VAL 50 2.439 3.569 -4.649 389 HB VAL 50 HB VAL 50 2.778 6.351 -3.487 390 HG11 VAL 50 HG11 VAL 50 0.375 4.516 -3.385 391 HG12 VAL 50 HG12 VAL 50 0.501 6.005 -4.323 392 HG13 VAL 50 HG13 VAL 50 0.528 6.069 -2.561 393 HG21 VAL 50 HG21 VAL 50 3.934 4.657 -2.171 394 HG22 VAL 50 HG22 VAL 50 2.474 3.667 -2.121 395 HG23 VAL 50 HG23 VAL 50 2.509 5.232 -1.306 396 H LYS 51 H LYS 51 1.261 3.604 -6.501 397 HA LYS 51 HA LYS 51 1.019 6.157 -7.981 398 HB2 LYS 51 HB2 LYS 51 1.415 3.425 -9.223 399 HB3 LYS 51 HB3 LYS 51 1.147 4.923 -10.101 400 HG2 LYS 51 HG2 LYS 51 3.271 5.802 -9.263 401 HG3 LYS 51 HG3 LYS 51 3.541 4.298 -8.374 402 HD2 LYS 51 HD2 LYS 51 3.520 3.046 -10.485 403 HD3 LYS 51 HD3 LYS 51 3.240 4.545 -11.372 404 HE2 LYS 51 HE2 LYS 51 5.404 5.404 -10.519 405 HE3 LYS 51 HE3 LYS 51 5.686 3.843 -9.747 406 HZ1 LYS 51 HZ1 LYS 51 5.597 2.792 -11.918 407 HZ2 LYS 51 HZ2 LYS 51 6.793 3.990 -11.888 408 HZ3 LYS 51 HZ3 LYS 51 5.316 4.288 -12.657 409 H ASP 52 H ASP 52 -0.953 6.497 -9.068 410 HA ASP 52 HA ASP 52 -3.188 4.787 -8.300 411 HB2 ASP 52 HB2 ASP 52 -3.036 7.408 -9.800 412 HB3 ASP 52 HB3 ASP 52 -4.541 6.521 -9.577 413 H LEU 53 H LEU 53 -4.574 3.747 -9.755 414 HA LEU 53 HA LEU 53 -3.358 2.764 -12.174 415 HB2 LEU 53 HB2 LEU 53 -6.085 2.308 -10.950 416 HB3 LEU 53 HB3 LEU 53 -5.535 1.520 -12.417 417 HG LEU 53 HG LEU 53 -4.245 1.221 -9.695 418 HD11 LEU 53 HD11 LEU 53 -5.983 -0.693 -11.260 419 HD12 LEU 53 HD12 LEU 53 -6.429 0.145 -9.773 420 HD13 LEU 53 HD13 LEU 53 -5.143 -1.061 -9.752 421 HD21 LEU 53 HD21 LEU 53 -2.942 -0.562 -10.763 422 HD22 LEU 53 HD22 LEU 53 -2.634 1.005 -11.509 423 HD23 LEU 53 HD23 LEU 53 -3.676 -0.166 -12.318 424 H LEU 54 H LEU 54 -5.412 5.401 -11.406 425 HA LEU 54 HA LEU 54 -6.405 5.642 -14.151 426 HB2 LEU 54 HB2 LEU 54 -7.026 7.339 -11.728 427 HB3 LEU 54 HB3 LEU 54 -7.792 7.475 -13.300 428 HG LEU 54 HG LEU 54 -8.015 5.146 -11.385 429 HD11 LEU 54 HD11 LEU 54 -10.062 7.157 -12.327 430 HD12 LEU 54 HD12 LEU 54 -9.327 7.085 -10.724 431 HD13 LEU 54 HD13 LEU 54 -10.374 5.778 -11.271 432 HD21 LEU 54 HD21 LEU 54 -9.597 4.183 -12.996 433 HD22 LEU 54 HD22 LEU 54 -7.977 4.323 -13.681 434 HD23 LEU 54 HD23 LEU 54 -9.229 5.481 -14.132 435 H GLU 55 H GLU 55 -4.443 6.146 -15.162 436 HA GLU 55 HA GLU 55 -3.219 8.740 -14.501 437 HB2 GLU 55 HB2 GLU 55 -2.283 6.358 -16.088 438 HB3 GLU 55 HB3 GLU 55 -1.485 7.915 -16.241 439 HG2 GLU 55 HG2 GLU 55 -1.848 6.540 -13.593 440 HG3 GLU 55 HG3 GLU 55 -0.465 6.234 -14.641 Start of MODEL 14 1 H1 MET 1 H1 MET 1 -14.481 8.750 -0.954 2 H2 MET 1 H2 MET 1 -14.761 10.417 -1.008 3 H3 MET 1 H3 MET 1 -13.369 9.819 -0.261 4 HA MET 1 HA MET 1 -14.011 9.594 -3.147 5 HB2 MET 1 HB2 MET 1 -11.936 11.312 -1.754 6 HB3 MET 1 HB3 MET 1 -12.179 11.198 -3.493 7 HG2 MET 1 HG2 MET 1 -13.177 13.224 -2.671 8 HG3 MET 1 HG3 MET 1 -14.441 12.124 -3.219 9 HE1 MET 1 HE1 MET 1 -12.709 13.834 -0.159 10 HE2 MET 1 HE2 MET 1 -12.347 12.135 0.148 11 HE3 MET 1 HE3 MET 1 -13.456 13.006 1.206 12 H ALA 2 H ALA 2 -13.321 7.583 -3.686 13 HA ALA 2 HA ALA 2 -10.619 6.755 -2.801 14 HB1 ALA 2 HB1 ALA 2 -12.349 5.464 -1.626 15 HB2 ALA 2 HB2 ALA 2 -11.369 4.450 -2.684 16 HB3 ALA 2 HB3 ALA 2 -12.993 4.929 -3.177 17 H SER 3 H SER 3 -9.264 6.032 -4.347 18 HA SER 3 HA SER 3 -10.325 5.579 -7.069 19 HB2 SER 3 HB2 SER 3 -7.690 6.924 -6.380 20 HB3 SER 3 HB3 SER 3 -8.324 6.643 -8.002 21 HG SER 3 HG SER 3 -8.884 8.633 -6.225 22 HA PRO 4 HA PRO 4 -8.014 1.732 -6.955 23 HB2 PRO 4 HB2 PRO 4 -7.365 1.526 -9.622 24 HB3 PRO 4 HB3 PRO 4 -8.941 1.088 -8.958 25 HG2 PRO 4 HG2 PRO 4 -8.100 3.620 -10.327 26 HG3 PRO 4 HG3 PRO 4 -9.597 2.688 -10.524 27 HD2 PRO 4 HD2 PRO 4 -9.517 4.927 -9.035 28 HD3 PRO 4 HD3 PRO 4 -10.530 3.541 -8.575 29 H THR 5 H THR 5 -6.028 1.770 -6.046 30 HA THR 5 HA THR 5 -3.874 3.318 -7.365 31 HB THR 5 HB THR 5 -4.279 2.992 -4.374 32 HG1 THR 5 HG1 THR 5 -4.293 5.525 -5.509 33 HG21 THR 5 HG21 THR 5 -1.908 3.140 -4.969 34 HG22 THR 5 HG22 THR 5 -2.440 4.614 -4.159 35 HG23 THR 5 HG23 THR 5 -2.222 4.598 -5.911 36 H VAL 6 H VAL 6 -2.073 2.191 -7.841 37 HA VAL 6 HA VAL 6 -1.793 -0.514 -6.724 38 HB VAL 6 HB VAL 6 -1.844 -0.412 -9.164 39 HG11 VAL 6 HG11 VAL 6 -0.954 1.833 -9.506 40 HG12 VAL 6 HG12 VAL 6 -0.049 0.650 -10.450 41 HG13 VAL 6 HG13 VAL 6 0.637 1.298 -8.959 42 HG21 VAL 6 HG21 VAL 6 0.193 -1.683 -9.634 43 HG22 VAL 6 HG22 VAL 6 -0.517 -2.171 -8.096 44 HG23 VAL 6 HG23 VAL 6 0.904 -1.123 -8.120 45 H ILE 7 H ILE 7 -0.426 -0.790 -5.110 46 HA ILE 7 HA ILE 7 1.876 1.009 -4.775 47 HB ILE 7 HB ILE 7 0.705 -1.017 -2.846 48 HG12 ILE 7 HG12 ILE 7 0.539 2.018 -2.864 49 HG13 ILE 7 HG13 ILE 7 -0.785 0.919 -3.238 50 HG21 ILE 7 HG21 ILE 7 2.178 0.026 -1.175 51 HG22 ILE 7 HG22 ILE 7 2.879 1.044 -2.434 52 HG23 ILE 7 HG23 ILE 7 3.099 -0.705 -2.489 53 HD11 ILE 7 HD11 ILE 7 -1.012 1.781 -0.999 54 HD12 ILE 7 HD12 ILE 7 0.603 1.207 -0.581 55 HD13 ILE 7 HD13 ILE 7 -0.679 0.051 -0.942 56 H THR 8 H THR 8 3.671 0.313 -5.772 57 HA THR 8 HA THR 8 4.168 -2.544 -6.146 58 HB THR 8 HB THR 8 5.831 -0.173 -7.052 59 HG1 THR 8 HG1 THR 8 3.509 -1.116 -7.984 60 HG21 THR 8 HG21 THR 8 7.136 -2.252 -6.891 61 HG22 THR 8 HG22 THR 8 6.901 -1.771 -8.572 62 HG23 THR 8 HG23 THR 8 5.939 -3.081 -7.888 63 H LEU 9 H LEU 9 5.520 -3.717 -4.890 64 HA LEU 9 HA LEU 9 6.992 -2.389 -2.756 65 HB2 LEU 9 HB2 LEU 9 6.771 -5.357 -3.287 66 HB3 LEU 9 HB3 LEU 9 7.281 -4.576 -1.794 67 HG LEU 9 HG LEU 9 4.492 -4.529 -2.970 68 HD11 LEU 9 HD11 LEU 9 5.074 -6.677 -1.990 69 HD12 LEU 9 HD12 LEU 9 3.894 -5.834 -0.988 70 HD13 LEU 9 HD13 LEU 9 5.590 -5.877 -0.505 71 HD21 LEU 9 HD21 LEU 9 5.555 -3.270 -0.437 72 HD22 LEU 9 HD22 LEU 9 3.855 -3.368 -0.897 73 HD23 LEU 9 HD23 LEU 9 4.977 -2.416 -1.868 74 H ASN 10 H ASN 10 9.245 -3.168 -2.265 75 HA ASN 10 HA ASN 10 10.877 -2.411 -4.427 76 HB2 ASN 10 HB2 ASN 10 11.421 -1.996 -2.050 77 HB3 ASN 10 HB3 ASN 10 11.724 -3.718 -1.832 78 HD21 ASN 10 HD21 ASN 10 13.629 -4.584 -2.559 79 HD22 ASN 10 HD22 ASN 10 14.927 -3.622 -3.173 80 H ASP 11 H ASP 11 9.851 -5.580 -3.415 81 HA ASP 11 HA ASP 11 11.970 -7.024 -4.711 82 HB2 ASP 11 HB2 ASP 11 10.642 -9.010 -4.246 83 HB3 ASP 11 HB3 ASP 11 10.668 -7.967 -2.827 84 H GLY 12 H GLY 12 9.027 -5.573 -5.791 85 HA2 GLY 12 HA2 GLY 12 8.832 -5.287 -8.241 86 HA3 GLY 12 HA3 GLY 12 9.256 -6.984 -8.392 87 H ARG 13 H ARG 13 7.357 -7.049 -5.784 88 HA ARG 13 HA ARG 13 5.044 -7.984 -7.194 89 HB2 ARG 13 HB2 ARG 13 5.679 -8.993 -5.075 90 HB3 ARG 13 HB3 ARG 13 5.499 -7.451 -4.248 91 HG2 ARG 13 HG2 ARG 13 3.089 -7.481 -4.724 92 HG3 ARG 13 HG3 ARG 13 3.277 -9.037 -5.537 93 HD2 ARG 13 HD2 ARG 13 4.082 -10.029 -3.442 94 HD3 ARG 13 HD3 ARG 13 3.889 -8.472 -2.632 95 HE ARG 13 HE ARG 13 1.453 -9.262 -3.828 96 HH11 ARG 13 HH11 ARG 13 3.492 -10.020 -1.159 97 HH12 ARG 13 HH12 ARG 13 2.189 -10.613 -0.190 98 HH21 ARG 13 HH21 ARG 13 -0.215 -10.005 -2.566 99 HH22 ARG 13 HH22 ARG 13 0.113 -10.591 -0.973 100 H GLU 14 H GLU 14 3.214 -6.913 -7.760 101 HA GLU 14 HA GLU 14 2.858 -4.150 -6.787 102 HB2 GLU 14 HB2 GLU 14 1.672 -5.563 -9.188 103 HB3 GLU 14 HB3 GLU 14 1.270 -3.922 -8.702 104 HG2 GLU 14 HG2 GLU 14 3.571 -3.221 -9.077 105 HG3 GLU 14 HG3 GLU 14 4.019 -4.870 -9.510 106 H ILE 15 H ILE 15 1.245 -3.674 -5.426 107 HA ILE 15 HA ILE 15 -0.939 -5.637 -5.070 108 HB ILE 15 HB ILE 15 0.099 -3.617 -3.060 109 HG12 ILE 15 HG12 ILE 15 0.386 -6.638 -3.138 110 HG13 ILE 15 HG13 ILE 15 1.677 -5.477 -3.434 111 HG21 ILE 15 HG21 ILE 15 -2.013 -5.767 -2.779 112 HG22 ILE 15 HG22 ILE 15 -2.289 -4.024 -2.790 113 HG23 ILE 15 HG23 ILE 15 -1.391 -4.764 -1.467 114 HD11 ILE 15 HD11 ILE 15 0.207 -5.904 -0.839 115 HD12 ILE 15 HD12 ILE 15 1.437 -4.671 -1.120 116 HD13 ILE 15 HD13 ILE 15 1.865 -6.377 -1.213 117 H GLN 16 H GLN 16 -2.867 -4.993 -5.810 118 HA GLN 16 HA GLN 16 -3.291 -2.160 -6.430 119 HB2 GLN 16 HB2 GLN 16 -4.901 -4.606 -7.197 120 HB3 GLN 16 HB3 GLN 16 -5.209 -2.966 -7.757 121 HG2 GLN 16 HG2 GLN 16 -3.052 -2.929 -8.892 122 HG3 GLN 16 HG3 GLN 16 -2.691 -4.542 -8.284 123 HE21 GLN 16 HE21 GLN 16 -4.603 -2.697 -10.526 124 HE22 GLN 16 HE22 GLN 16 -5.124 -4.032 -11.483 125 H ALA 17 H ALA 17 -4.731 -0.886 -5.420 126 HA ALA 17 HA ALA 17 -6.481 -2.091 -3.362 127 HB1 ALA 17 HB1 ALA 17 -4.575 -0.964 -2.333 128 HB2 ALA 17 HB2 ALA 17 -6.078 -0.117 -1.966 129 HB3 ALA 17 HB3 ALA 17 -4.976 0.525 -3.186 130 H VAL 18 H VAL 18 -8.427 -0.927 -2.852 131 HA VAL 18 HA VAL 18 -9.485 0.663 -5.095 132 HB VAL 18 HB VAL 18 -11.726 0.186 -4.159 133 HG11 VAL 18 HG11 VAL 18 -10.772 -1.290 -5.863 134 HG12 VAL 18 HG12 VAL 18 -11.805 -2.187 -4.750 135 HG13 VAL 18 HG13 VAL 18 -10.049 -2.292 -4.602 136 HG21 VAL 18 HG21 VAL 18 -11.118 -0.033 -1.803 137 HG22 VAL 18 HG22 VAL 18 -10.232 -1.517 -2.155 138 HG23 VAL 18 HG23 VAL 18 -11.984 -1.465 -2.358 139 H ASP 19 H ASP 19 -8.007 1.240 -2.266 140 HA ASP 19 HA ASP 19 -9.288 3.872 -1.968 141 HB2 ASP 19 HB2 ASP 19 -8.555 1.948 0.245 142 HB3 ASP 19 HB3 ASP 19 -8.698 3.676 0.533 143 H THR 20 H THR 20 -7.825 5.499 -0.993 144 HA THR 20 HA THR 20 -5.143 5.228 -2.029 145 HB THR 20 HB THR 20 -4.812 7.559 -1.189 146 HG1 THR 20 HG1 THR 20 -6.697 8.644 -0.378 147 HG21 THR 20 HG21 THR 20 -5.656 7.158 -3.454 148 HG22 THR 20 HG22 THR 20 -6.364 8.619 -2.766 149 HG23 THR 20 HG23 THR 20 -7.310 7.134 -2.842 150 HA PRO 21 HA PRO 21 -3.290 3.766 1.690 151 HB2 PRO 21 HB2 PRO 21 -0.691 4.281 1.199 152 HB3 PRO 21 HB3 PRO 21 -1.602 3.077 0.277 153 HG2 PRO 21 HG2 PRO 21 -0.924 5.905 -0.461 154 HG3 PRO 21 HG3 PRO 21 -0.829 4.437 -1.454 155 HD2 PRO 21 HD2 PRO 21 -2.911 6.201 -1.589 156 HD3 PRO 21 HD3 PRO 21 -3.080 4.469 -1.939 157 H LYS 22 H LYS 22 -2.672 4.399 3.692 158 HA LYS 22 HA LYS 22 -2.075 7.255 4.180 159 HB2 LYS 22 HB2 LYS 22 -4.086 6.389 5.342 160 HB3 LYS 22 HB3 LYS 22 -3.114 5.121 6.075 161 HG2 LYS 22 HG2 LYS 22 -1.724 7.039 7.092 162 HG3 LYS 22 HG3 LYS 22 -3.076 8.075 6.640 163 HD2 LYS 22 HD2 LYS 22 -3.153 5.690 8.493 164 HD3 LYS 22 HD3 LYS 22 -3.323 7.383 8.945 165 HE2 LYS 22 HE2 LYS 22 -5.432 7.531 7.788 166 HE3 LYS 22 HE3 LYS 22 -5.237 5.901 7.139 167 HZ1 LYS 22 HZ1 LYS 22 -5.331 5.025 9.378 168 HZ2 LYS 22 HZ2 LYS 22 -6.718 5.936 9.052 169 HZ3 LYS 22 HZ3 LYS 22 -5.493 6.582 10.017 170 H TYR 23 H TYR 23 0.002 7.748 4.921 171 HA TYR 23 HA TYR 23 1.670 5.561 5.918 172 HB2 TYR 23 HB2 TYR 23 2.800 7.176 4.487 173 HB3 TYR 23 HB3 TYR 23 2.299 8.504 5.533 174 HD1 TYR 23 HD1 TYR 23 4.251 5.315 5.630 175 HD2 TYR 23 HD2 TYR 23 3.764 9.235 7.218 176 HE1 TYR 23 HE1 TYR 23 6.283 5.015 6.978 177 HE2 TYR 23 HE2 TYR 23 5.801 8.945 8.564 178 HH TYR 23 HH TYR 23 7.126 7.046 9.526 179 H ASP 24 H ASP 24 1.617 5.002 8.002 180 HA ASP 24 HA ASP 24 0.616 6.921 9.981 181 HB2 ASP 24 HB2 ASP 24 -0.442 4.715 9.958 182 HB3 ASP 24 HB3 ASP 24 1.123 3.944 10.207 183 H GLU 25 H GLU 25 2.160 8.188 10.762 184 HA GLU 25 HA GLU 25 4.918 7.536 10.829 185 HB2 GLU 25 HB2 GLU 25 4.018 9.829 10.616 186 HB3 GLU 25 HB3 GLU 25 3.424 9.739 12.266 187 HG2 GLU 25 HG2 GLU 25 5.751 9.492 13.057 188 HG3 GLU 25 HG3 GLU 25 6.309 9.672 11.392 189 H GLU 26 H GLU 26 2.341 6.982 13.071 190 HA GLU 26 HA GLU 26 3.856 6.958 15.472 191 HB2 GLU 26 HB2 GLU 26 1.200 5.663 14.823 192 HB3 GLU 26 HB3 GLU 26 1.867 5.824 16.442 193 HG2 GLU 26 HG2 GLU 26 1.132 8.103 14.605 194 HG3 GLU 26 HG3 GLU 26 0.179 7.529 15.973 195 H SER 27 H SER 27 2.961 4.366 13.198 196 HA SER 27 HA SER 27 4.742 2.560 14.735 197 HB2 SER 27 HB2 SER 27 2.357 1.847 14.743 198 HB3 SER 27 HB3 SER 27 2.417 1.715 12.985 199 HG SER 27 HG SER 27 2.808 -0.306 13.877 200 H GLY 28 H GLY 28 3.992 3.813 11.542 201 HA2 GLY 28 HA2 GLY 28 5.794 4.083 9.972 202 HA3 GLY 28 HA3 GLY 28 6.519 2.614 10.595 203 H PHE 29 H PHE 29 3.148 2.338 10.067 204 HA PHE 29 HA PHE 29 3.698 0.641 7.727 205 HB2 PHE 29 HB2 PHE 29 1.425 0.640 9.721 206 HB3 PHE 29 HB3 PHE 29 1.443 -0.367 8.277 207 HD1 PHE 29 HD1 PHE 29 3.236 -2.093 8.014 208 HD2 PHE 29 HD2 PHE 29 2.624 0.008 11.664 209 HE1 PHE 29 HE1 PHE 29 4.512 -3.816 9.213 210 HE2 PHE 29 HE2 PHE 29 3.900 -1.715 12.871 211 HZ PHE 29 HZ PHE 29 4.844 -3.632 11.643 212 H TYR 30 H TYR 30 2.266 0.594 5.934 213 HA TYR 30 HA TYR 30 0.790 3.082 5.437 214 HB2 TYR 30 HB2 TYR 30 1.931 0.970 3.609 215 HB3 TYR 30 HB3 TYR 30 0.726 2.116 3.035 216 HD1 TYR 30 HD1 TYR 30 4.167 1.819 4.383 217 HD2 TYR 30 HD2 TYR 30 1.314 4.355 2.498 218 HE1 TYR 30 HE1 TYR 30 5.937 3.457 3.908 219 HE2 TYR 30 HE2 TYR 30 3.079 5.997 2.025 220 HH TYR 30 HH TYR 30 5.266 6.636 2.818 221 H GLU 31 H GLU 31 -1.358 3.104 5.499 222 HA GLU 31 HA GLU 31 -2.830 0.574 5.756 223 HB2 GLU 31 HB2 GLU 31 -3.609 3.427 6.407 224 HB3 GLU 31 HB3 GLU 31 -4.630 2.020 6.681 225 HG2 GLU 31 HG2 GLU 31 -3.176 1.160 8.328 226 HG3 GLU 31 HG3 GLU 31 -1.895 2.288 7.888 227 H PHE 32 H PHE 32 -3.980 -0.181 4.085 228 HA PHE 32 HA PHE 32 -5.532 1.606 2.409 229 HB2 PHE 32 HB2 PHE 32 -4.591 0.766 0.282 230 HB3 PHE 32 HB3 PHE 32 -3.392 1.638 1.232 231 HD1 PHE 32 HD1 PHE 32 -1.664 0.333 2.519 232 HD2 PHE 32 HD2 PHE 32 -4.240 -1.487 -0.350 233 HE1 PHE 32 HE1 PHE 32 -0.144 -1.593 2.377 234 HE2 PHE 32 HE2 PHE 32 -2.718 -3.414 -0.493 235 HZ PHE 32 HZ PHE 32 -0.668 -3.469 0.875 236 H LYS 33 H LYS 33 -6.967 0.417 0.916 237 HA LYS 33 HA LYS 33 -7.711 -2.203 2.044 238 HB2 LYS 33 HB2 LYS 33 -9.422 -0.432 2.193 239 HB3 LYS 33 HB3 LYS 33 -9.394 -0.261 0.443 240 HG2 LYS 33 HG2 LYS 33 -10.149 -2.602 0.230 241 HG3 LYS 33 HG3 LYS 33 -10.240 -2.710 1.986 242 HD2 LYS 33 HD2 LYS 33 -11.821 -0.775 0.283 243 HD3 LYS 33 HD3 LYS 33 -12.438 -2.300 0.917 244 HE2 LYS 33 HE2 LYS 33 -13.220 -0.653 2.402 245 HE3 LYS 33 HE3 LYS 33 -11.858 -1.401 3.227 246 HZ1 LYS 33 HZ1 LYS 33 -11.680 1.136 1.697 247 HZ2 LYS 33 HZ2 LYS 33 -10.487 0.461 2.690 248 HZ3 LYS 33 HZ3 LYS 33 -11.917 1.052 3.370 249 H GLN 34 H GLN 34 -7.098 -3.892 0.884 250 HA GLN 34 HA GLN 34 -6.163 -3.790 -1.785 251 HB2 GLN 34 HB2 GLN 34 -7.053 -6.182 -0.153 252 HB3 GLN 34 HB3 GLN 34 -6.112 -6.255 -1.636 253 HG2 GLN 34 HG2 GLN 34 -4.292 -5.033 -0.537 254 HG3 GLN 34 HG3 GLN 34 -5.230 -4.994 0.957 255 HE21 GLN 34 HE21 GLN 34 -5.492 -6.913 2.137 256 HE22 GLN 34 HE22 GLN 34 -4.510 -8.302 1.846 257 H LEU 35 H LEU 35 -7.018 -5.257 -3.555 258 HA LEU 35 HA LEU 35 -9.551 -4.529 -4.439 259 HB2 LEU 35 HB2 LEU 35 -7.941 -6.984 -5.153 260 HB3 LEU 35 HB3 LEU 35 -9.346 -6.427 -6.043 261 HG LEU 35 HG LEU 35 -6.735 -4.929 -5.742 262 HD11 LEU 35 HD11 LEU 35 -6.478 -5.365 -8.138 263 HD12 LEU 35 HD12 LEU 35 -7.959 -6.324 -8.126 264 HD13 LEU 35 HD13 LEU 35 -6.550 -6.864 -7.213 265 HD21 LEU 35 HD21 LEU 35 -8.660 -3.410 -5.864 266 HD22 LEU 35 HD22 LEU 35 -9.202 -4.215 -7.336 267 HD23 LEU 35 HD23 LEU 35 -7.676 -3.328 -7.325 268 H ASP 36 H ASP 36 -8.657 -7.113 -2.293 269 HA ASP 36 HA ASP 36 -11.037 -8.666 -2.544 270 HB2 ASP 36 HB2 ASP 36 -9.061 -8.543 -0.253 271 HB3 ASP 36 HB3 ASP 36 -10.226 -9.829 -0.550 272 H GLY 37 H GLY 37 -10.669 -5.605 -1.307 273 HA2 GLY 37 HA2 GLY 37 -12.099 -4.275 -0.055 274 HA3 GLY 37 HA3 GLY 37 -13.146 -5.670 0.166 275 H LYS 38 H LYS 38 -9.753 -5.704 0.986 276 HA LYS 38 HA LYS 38 -10.458 -5.917 3.852 277 HB2 LYS 38 HB2 LYS 38 -8.208 -7.280 2.345 278 HB3 LYS 38 HB3 LYS 38 -8.530 -7.443 4.066 279 HG2 LYS 38 HG2 LYS 38 -10.676 -8.505 3.575 280 HG3 LYS 38 HG3 LYS 38 -10.381 -8.310 1.847 281 HD2 LYS 38 HD2 LYS 38 -9.847 -10.583 2.518 282 HD3 LYS 38 HD3 LYS 38 -8.372 -9.737 2.044 283 HE2 LYS 38 HE2 LYS 38 -8.026 -11.075 4.066 284 HE3 LYS 38 HE3 LYS 38 -7.820 -9.356 4.392 285 HZ1 LYS 38 HZ1 LYS 38 -10.285 -10.909 4.970 286 HZ2 LYS 38 HZ2 LYS 38 -10.012 -9.288 5.353 287 HZ3 LYS 38 HZ3 LYS 38 -9.111 -10.499 6.111 288 H GLN 39 H GLN 39 -9.403 -4.614 5.269 289 HA GLN 39 HA GLN 39 -7.464 -2.699 4.222 290 HB2 GLN 39 HB2 GLN 39 -9.259 -1.838 5.631 291 HB3 GLN 39 HB3 GLN 39 -8.791 -2.920 6.938 292 HG2 GLN 39 HG2 GLN 39 -6.591 -1.737 7.040 293 HG3 GLN 39 HG3 GLN 39 -7.208 -0.592 5.849 294 HE21 GLN 39 HE21 GLN 39 -6.969 1.119 7.309 295 HE22 GLN 39 HE22 GLN 39 -8.036 1.332 8.652 296 H THR 40 H THR 40 -5.324 -2.975 4.415 297 HA THR 40 HA THR 40 -4.278 -4.567 6.669 298 HB THR 40 HB THR 40 -4.221 -6.039 4.722 299 HG1 THR 40 HG1 THR 40 -2.101 -6.620 4.971 300 HG21 THR 40 HG21 THR 40 -2.884 -5.509 2.742 301 HG22 THR 40 HG22 THR 40 -2.502 -3.919 3.407 302 HG23 THR 40 HG23 THR 40 -4.162 -4.313 2.959 303 H ARG 41 H ARG 41 -1.888 -4.240 6.979 304 HA ARG 41 HA ARG 41 -1.052 -1.506 6.234 305 HB2 ARG 41 HB2 ARG 41 -0.584 -2.738 8.964 306 HB3 ARG 41 HB3 ARG 41 -0.235 -1.087 8.466 307 HG2 ARG 41 HG2 ARG 41 -2.659 -0.680 8.208 308 HG3 ARG 41 HG3 ARG 41 -2.974 -2.321 8.777 309 HD2 ARG 41 HD2 ARG 41 -3.259 -1.017 10.692 310 HD3 ARG 41 HD3 ARG 41 -1.619 -1.638 10.865 311 HE ARG 41 HE ARG 41 -1.874 0.967 9.621 312 HH11 ARG 41 HH11 ARG 41 -1.186 -0.799 12.501 313 HH12 ARG 41 HH12 ARG 41 -0.571 0.594 13.323 314 HH21 ARG 41 HH21 ARG 41 -1.120 2.736 10.694 315 HH22 ARG 41 HH22 ARG 41 -0.516 2.562 12.309 316 H ILE 42 H ILE 42 0.944 -1.471 5.323 317 HA ILE 42 HA ILE 42 2.729 -3.785 5.804 318 HB ILE 42 HB ILE 42 1.763 -3.777 3.526 319 HG12 ILE 42 HG12 ILE 42 4.744 -3.211 3.556 320 HG13 ILE 42 HG13 ILE 42 4.006 -4.750 3.990 321 HG21 ILE 42 HG21 ILE 42 2.436 -2.076 1.895 322 HG22 ILE 42 HG22 ILE 42 3.265 -1.179 3.167 323 HG23 ILE 42 HG23 ILE 42 1.512 -1.364 3.219 324 HD11 ILE 42 HD11 ILE 42 3.123 -4.948 1.712 325 HD12 ILE 42 HD12 ILE 42 4.881 -4.821 1.744 326 HD13 ILE 42 HD13 ILE 42 3.906 -3.424 1.291 327 H ASN 43 H ASN 43 4.963 -3.403 6.021 328 HA ASN 43 HA ASN 43 5.585 -1.001 7.362 329 HB2 ASN 43 HB2 ASN 43 6.645 -3.260 7.746 330 HB3 ASN 43 HB3 ASN 43 7.605 -2.980 6.296 331 HD21 ASN 43 HD21 ASN 43 9.543 -2.954 7.414 332 HD22 ASN 43 HD22 ASN 43 9.988 -1.661 8.467 333 H LYS 44 H LYS 44 7.051 0.652 6.892 334 HA LYS 44 HA LYS 44 6.648 1.799 4.353 335 HB2 LYS 44 HB2 LYS 44 8.142 3.607 5.170 336 HB3 LYS 44 HB3 LYS 44 6.862 3.184 6.299 337 HG2 LYS 44 HG2 LYS 44 8.470 1.840 7.598 338 HG3 LYS 44 HG3 LYS 44 9.751 2.324 6.485 339 HD2 LYS 44 HD2 LYS 44 8.100 4.219 8.168 340 HD3 LYS 44 HD3 LYS 44 9.726 3.664 8.568 341 HE2 LYS 44 HE2 LYS 44 10.594 4.701 6.529 342 HE3 LYS 44 HE3 LYS 44 8.968 5.229 6.095 343 HZ1 LYS 44 HZ1 LYS 44 8.906 6.630 8.020 344 HZ2 LYS 44 HZ2 LYS 44 10.311 6.983 7.147 345 HZ3 LYS 44 HZ3 LYS 44 10.399 6.056 8.558 346 H ASP 45 H ASP 45 9.256 -0.259 5.420 347 HA ASP 45 HA ASP 45 11.108 0.760 3.433 348 HB2 ASP 45 HB2 ASP 45 12.665 -0.915 4.233 349 HB3 ASP 45 HB3 ASP 45 11.941 -0.079 5.600 350 H GLN 46 H GLN 46 8.519 -1.383 3.360 351 HA GLN 46 HA GLN 46 9.571 -3.210 1.374 352 HB2 GLN 46 HB2 GLN 46 6.689 -2.803 2.203 353 HB3 GLN 46 HB3 GLN 46 7.368 -4.209 1.395 354 HG2 GLN 46 HG2 GLN 46 8.160 -3.319 4.154 355 HG3 GLN 46 HG3 GLN 46 6.894 -4.495 3.832 356 HE21 GLN 46 HE21 GLN 46 8.032 -6.056 5.001 357 HE22 GLN 46 HE22 GLN 46 9.423 -6.844 4.351 358 H VAL 47 H VAL 47 7.831 -0.187 1.353 359 HA VAL 47 HA VAL 47 6.608 -0.577 -1.213 360 HB VAL 47 HB VAL 47 5.497 0.826 0.415 361 HG11 VAL 47 HG11 VAL 47 7.839 2.717 0.156 362 HG12 VAL 47 HG12 VAL 47 7.451 1.732 1.566 363 HG13 VAL 47 HG13 VAL 47 6.358 3.021 1.065 364 HG21 VAL 47 HG21 VAL 47 6.412 2.414 -1.992 365 HG22 VAL 47 HG22 VAL 47 4.992 2.769 -1.007 366 HG23 VAL 47 HG23 VAL 47 5.064 1.276 -1.943 367 H ARG 48 H ARG 48 7.532 -0.401 -3.106 368 HA ARG 48 HA ARG 48 10.009 1.031 -3.551 369 HB2 ARG 48 HB2 ARG 48 9.537 -1.074 -4.737 370 HB3 ARG 48 HB3 ARG 48 8.125 -0.347 -5.487 371 HG2 ARG 48 HG2 ARG 48 9.622 1.266 -6.638 372 HG3 ARG 48 HG3 ARG 48 11.006 0.417 -5.947 373 HD2 ARG 48 HD2 ARG 48 10.300 -1.647 -7.076 374 HD3 ARG 48 HD3 ARG 48 8.924 -0.794 -7.774 375 HE ARG 48 HE ARG 48 11.543 0.304 -8.379 376 HH11 ARG 48 HH11 ARG 48 8.935 -1.706 -9.420 377 HH12 ARG 48 HH12 ARG 48 9.453 -1.699 -11.067 378 HH21 ARG 48 HH21 ARG 48 12.189 0.276 -10.501 379 HH22 ARG 48 HH22 ARG 48 11.262 -0.606 -11.668 380 H THR 49 H THR 49 6.774 1.227 -5.043 381 HA THR 49 HA THR 49 6.892 4.154 -5.047 382 HB THR 49 HB THR 49 6.125 4.241 -7.431 383 HG1 THR 49 HG1 THR 49 6.253 2.417 -8.694 384 HG21 THR 49 HG21 THR 49 8.469 4.699 -6.889 385 HG22 THR 49 HG22 THR 49 8.327 3.889 -8.450 386 HG23 THR 49 HG23 THR 49 8.846 2.981 -7.029 387 H VAL 50 H VAL 50 4.879 5.171 -5.125 388 HA VAL 50 HA VAL 50 2.493 3.416 -5.011 389 HB VAL 50 HB VAL 50 2.884 6.121 -3.694 390 HG11 VAL 50 HG11 VAL 50 0.524 4.225 -3.594 391 HG12 VAL 50 HG12 VAL 50 0.567 5.788 -4.410 392 HG13 VAL 50 HG13 VAL 50 0.690 5.708 -2.653 393 HG21 VAL 50 HG21 VAL 50 2.668 3.367 -2.460 394 HG22 VAL 50 HG22 VAL 50 2.781 4.889 -1.576 395 HG23 VAL 50 HG23 VAL 50 4.135 4.341 -2.564 396 H LYS 51 H LYS 51 1.195 3.602 -6.737 397 HA LYS 51 HA LYS 51 1.020 6.212 -8.111 398 HB2 LYS 51 HB2 LYS 51 1.391 3.498 -9.379 399 HB3 LYS 51 HB3 LYS 51 0.817 4.899 -10.273 400 HG2 LYS 51 HG2 LYS 51 2.891 6.086 -9.766 401 HG3 LYS 51 HG3 LYS 51 3.476 4.683 -8.867 402 HD2 LYS 51 HD2 LYS 51 3.680 3.380 -10.805 403 HD3 LYS 51 HD3 LYS 51 2.616 4.436 -11.735 404 HE2 LYS 51 HE2 LYS 51 5.377 5.162 -10.745 405 HE3 LYS 51 HE3 LYS 51 4.971 4.685 -12.396 406 HZ1 LYS 51 HZ1 LYS 51 5.041 7.031 -12.351 407 HZ2 LYS 51 HZ2 LYS 51 4.090 7.124 -10.953 408 HZ3 LYS 51 HZ3 LYS 51 3.409 6.617 -12.419 409 H ASP 52 H ASP 52 -0.991 6.938 -8.290 410 HA ASP 52 HA ASP 52 -3.311 5.265 -7.992 411 HB2 ASP 52 HB2 ASP 52 -3.184 8.087 -9.103 412 HB3 ASP 52 HB3 ASP 52 -4.597 7.269 -8.445 413 H LEU 53 H LEU 53 -4.394 4.199 -9.597 414 HA LEU 53 HA LEU 53 -3.313 4.045 -12.215 415 HB2 LEU 53 HB2 LEU 53 -5.988 3.113 -11.158 416 HB3 LEU 53 HB3 LEU 53 -5.347 2.705 -12.741 417 HG LEU 53 HG LEU 53 -4.130 1.922 -10.082 418 HD11 LEU 53 HD11 LEU 53 -5.505 0.248 -12.185 419 HD12 LEU 53 HD12 LEU 53 -6.158 0.670 -10.603 420 HD13 LEU 53 HD13 LEU 53 -4.730 -0.356 -10.720 421 HD21 LEU 53 HD21 LEU 53 -2.402 2.326 -11.759 422 HD22 LEU 53 HD22 LEU 53 -3.236 1.264 -12.894 423 HD23 LEU 53 HD23 LEU 53 -2.545 0.604 -11.410 424 H LEU 54 H LEU 54 -5.754 6.051 -10.782 425 HA LEU 54 HA LEU 54 -6.453 7.250 -13.358 426 HB2 LEU 54 HB2 LEU 54 -7.381 7.968 -10.567 427 HB3 LEU 54 HB3 LEU 54 -8.016 8.627 -12.062 428 HG LEU 54 HG LEU 54 -8.240 5.736 -11.196 429 HD11 LEU 54 HD11 LEU 54 -10.618 6.227 -10.901 430 HD12 LEU 54 HD12 LEU 54 -10.318 7.925 -11.274 431 HD13 LEU 54 HD13 LEU 54 -9.618 7.201 -9.824 432 HD21 LEU 54 HD21 LEU 54 -8.137 5.967 -13.627 433 HD22 LEU 54 HD22 LEU 54 -9.432 7.164 -13.576 434 HD23 LEU 54 HD23 LEU 54 -9.752 5.496 -13.101 435 H GLU 55 H GLU 55 -4.388 8.098 -13.870 436 HA GLU 55 HA GLU 55 -3.371 10.221 -12.090 437 HB2 GLU 55 HB2 GLU 55 -1.255 9.723 -13.720 438 HB3 GLU 55 HB3 GLU 55 -1.525 8.928 -12.180 439 HG2 GLU 55 HG2 GLU 55 -0.939 7.269 -13.782 440 HG3 GLU 55 HG3 GLU 55 -2.642 7.065 -13.388 Start of MODEL 15 1 H1 MET 1 H1 MET 1 -15.739 10.421 -3.661 2 H2 MET 1 H2 MET 1 -14.103 10.684 -4.010 3 H3 MET 1 H3 MET 1 -14.553 10.006 -2.528 4 HA MET 1 HA MET 1 -15.387 8.042 -3.618 5 HB2 MET 1 HB2 MET 1 -16.052 9.069 -5.736 6 HB3 MET 1 HB3 MET 1 -14.370 9.398 -6.131 7 HG2 MET 1 HG2 MET 1 -13.927 6.979 -6.191 8 HG3 MET 1 HG3 MET 1 -15.631 6.673 -5.847 9 HE1 MET 1 HE1 MET 1 -14.072 5.425 -8.351 10 HE2 MET 1 HE2 MET 1 -15.271 5.637 -9.625 11 HE3 MET 1 HE3 MET 1 -15.772 5.110 -8.018 12 H ALA 2 H ALA 2 -14.017 6.395 -3.199 13 HA ALA 2 HA ALA 2 -11.298 6.777 -2.618 14 HB1 ALA 2 HB1 ALA 2 -11.167 4.346 -2.440 15 HB2 ALA 2 HB2 ALA 2 -12.712 4.187 -3.279 16 HB3 ALA 2 HB3 ALA 2 -12.643 4.949 -1.691 17 H SER 3 H SER 3 -9.610 7.072 -3.952 18 HA SER 3 HA SER 3 -9.782 6.336 -6.767 19 HB2 SER 3 HB2 SER 3 -7.569 7.735 -5.229 20 HB3 SER 3 HB3 SER 3 -7.598 7.498 -6.975 21 HG SER 3 HG SER 3 -8.900 9.344 -5.425 22 HA PRO 4 HA PRO 4 -7.845 2.378 -5.882 23 HB2 PRO 4 HB2 PRO 4 -7.473 1.635 -8.497 24 HB3 PRO 4 HB3 PRO 4 -9.009 1.478 -7.638 25 HG2 PRO 4 HG2 PRO 4 -8.101 3.630 -9.519 26 HG3 PRO 4 HG3 PRO 4 -9.672 2.811 -9.429 27 HD2 PRO 4 HD2 PRO 4 -9.303 5.266 -8.393 28 HD3 PRO 4 HD3 PRO 4 -10.372 4.081 -7.612 29 H THR 5 H THR 5 -5.788 2.264 -5.213 30 HA THR 5 HA THR 5 -3.649 3.458 -6.880 31 HB THR 5 HB THR 5 -3.682 3.112 -3.867 32 HG1 THR 5 HG1 THR 5 -4.540 5.141 -5.477 33 HG21 THR 5 HG21 THR 5 -1.596 4.358 -5.671 34 HG22 THR 5 HG22 THR 5 -1.429 2.852 -4.768 35 HG23 THR 5 HG23 THR 5 -1.574 4.383 -3.908 36 H VAL 6 H VAL 6 -2.157 2.075 -7.666 37 HA VAL 6 HA VAL 6 -1.876 -0.578 -6.429 38 HB VAL 6 HB VAL 6 -2.206 -0.534 -8.880 39 HG11 VAL 6 HG11 VAL 6 -1.094 1.581 -9.398 40 HG12 VAL 6 HG12 VAL 6 -0.428 0.266 -10.367 41 HG13 VAL 6 HG13 VAL 6 0.467 0.874 -8.975 42 HG21 VAL 6 HG21 VAL 6 -1.014 -2.401 -7.858 43 HG22 VAL 6 HG22 VAL 6 0.514 -1.539 -8.019 44 HG23 VAL 6 HG23 VAL 6 -0.363 -2.055 -9.459 45 H ILE 7 H ILE 7 -0.134 -1.116 -5.246 46 HA ILE 7 HA ILE 7 2.052 0.864 -5.051 47 HB ILE 7 HB ILE 7 1.143 -1.173 -3.003 48 HG12 ILE 7 HG12 ILE 7 0.853 1.849 -3.067 49 HG13 ILE 7 HG13 ILE 7 -0.450 0.686 -3.278 50 HG21 ILE 7 HG21 ILE 7 2.717 -0.047 -1.480 51 HG22 ILE 7 HG22 ILE 7 3.277 0.964 -2.813 52 HG23 ILE 7 HG23 ILE 7 3.547 -0.781 -2.853 53 HD11 ILE 7 HD11 ILE 7 -0.476 1.629 -1.052 54 HD12 ILE 7 HD12 ILE 7 1.179 1.087 -0.779 55 HD13 ILE 7 HD13 ILE 7 -0.113 -0.095 -0.983 56 H THR 8 H THR 8 3.883 0.280 -6.040 57 HA THR 8 HA THR 8 4.617 -2.508 -6.424 58 HB THR 8 HB THR 8 6.301 -0.038 -6.963 59 HG1 THR 8 HG1 THR 8 4.330 -1.345 -8.524 60 HG21 THR 8 HG21 THR 8 7.584 -2.131 -6.863 61 HG22 THR 8 HG22 THR 8 7.528 -1.496 -8.509 62 HG23 THR 8 HG23 THR 8 6.500 -2.854 -8.051 63 H LEU 9 H LEU 9 5.848 -3.678 -5.001 64 HA LEU 9 HA LEU 9 6.837 -2.299 -2.628 65 HB2 LEU 9 HB2 LEU 9 6.563 -5.239 -3.242 66 HB3 LEU 9 HB3 LEU 9 7.181 -4.600 -1.730 67 HG LEU 9 HG LEU 9 4.371 -4.306 -2.810 68 HD11 LEU 9 HD11 LEU 9 4.903 -6.486 -1.826 69 HD12 LEU 9 HD12 LEU 9 3.759 -5.589 -0.828 70 HD13 LEU 9 HD13 LEU 9 5.455 -5.688 -0.351 71 HD21 LEU 9 HD21 LEU 9 3.867 -3.097 -0.736 72 HD22 LEU 9 HD22 LEU 9 5.044 -2.224 -1.717 73 HD23 LEU 9 HD23 LEU 9 5.574 -3.126 -0.298 74 H ASN 10 H ASN 10 8.830 -3.404 -1.615 75 HA ASN 10 HA ASN 10 11.095 -2.679 -3.124 76 HB2 ASN 10 HB2 ASN 10 10.851 -2.647 -0.618 77 HB3 ASN 10 HB3 ASN 10 11.002 -4.398 -0.629 78 HD21 ASN 10 HD21 ASN 10 12.640 -2.263 0.561 79 HD22 ASN 10 HD22 ASN 10 14.243 -2.537 -0.019 80 H ASP 11 H ASP 11 9.726 -5.852 -2.303 81 HA ASP 11 HA ASP 11 11.791 -7.385 -3.535 82 HB2 ASP 11 HB2 ASP 11 10.234 -9.273 -3.263 83 HB3 ASP 11 HB3 ASP 11 10.336 -8.306 -1.790 84 H GLY 12 H GLY 12 8.975 -5.777 -4.766 85 HA2 GLY 12 HA2 GLY 12 9.072 -5.345 -7.212 86 HA3 GLY 12 HA3 GLY 12 9.391 -7.058 -7.408 87 H ARG 13 H ARG 13 7.291 -7.459 -5.138 88 HA ARG 13 HA ARG 13 5.089 -8.014 -6.817 89 HB2 ARG 13 HB2 ARG 13 5.409 -9.241 -4.746 90 HB3 ARG 13 HB3 ARG 13 5.226 -7.766 -3.802 91 HG2 ARG 13 HG2 ARG 13 2.891 -7.583 -4.621 92 HG3 ARG 13 HG3 ARG 13 3.098 -9.126 -5.451 93 HD2 ARG 13 HD2 ARG 13 3.481 -10.249 -3.334 94 HD3 ARG 13 HD3 ARG 13 3.400 -8.709 -2.474 95 HE ARG 13 HE ARG 13 1.047 -9.412 -4.014 96 HH11 ARG 13 HH11 ARG 13 2.595 -9.586 -0.948 97 HH12 ARG 13 HH12 ARG 13 1.107 -9.685 -0.075 98 HH21 ARG 13 HH21 ARG 13 -0.858 -9.574 -2.899 99 HH22 ARG 13 HH22 ARG 13 -0.837 -9.673 -1.174 100 H GLU 14 H GLU 14 3.301 -6.862 -7.385 101 HA GLU 14 HA GLU 14 2.961 -4.179 -6.193 102 HB2 GLU 14 HB2 GLU 14 2.007 -5.208 -8.879 103 HB3 GLU 14 HB3 GLU 14 1.732 -3.587 -8.253 104 HG2 GLU 14 HG2 GLU 14 4.173 -3.222 -8.214 105 HG3 GLU 14 HG3 GLU 14 4.399 -4.814 -8.931 106 H ILE 15 H ILE 15 1.076 -3.672 -5.177 107 HA ILE 15 HA ILE 15 -1.085 -5.699 -5.195 108 HB ILE 15 HB ILE 15 -0.346 -3.804 -2.947 109 HG12 ILE 15 HG12 ILE 15 -0.015 -6.815 -3.154 110 HG13 ILE 15 HG13 ILE 15 1.290 -5.639 -3.252 111 HG21 ILE 15 HG21 ILE 15 -2.438 -5.991 -3.055 112 HG22 ILE 15 HG22 ILE 15 -2.747 -4.254 -3.019 113 HG23 ILE 15 HG23 ILE 15 -2.009 -5.046 -1.628 114 HD11 ILE 15 HD11 ILE 15 -0.459 -6.156 -0.857 115 HD12 ILE 15 HD12 ILE 15 0.822 -4.949 -0.951 116 HD13 ILE 15 HD13 ILE 15 1.215 -6.664 -1.065 117 H GLN 16 H GLN 16 -2.952 -5.037 -6.084 118 HA GLN 16 HA GLN 16 -3.425 -2.219 -6.615 119 HB2 GLN 16 HB2 GLN 16 -5.180 -4.603 -7.244 120 HB3 GLN 16 HB3 GLN 16 -5.371 -2.974 -7.879 121 HG2 GLN 16 HG2 GLN 16 -3.151 -3.206 -8.978 122 HG3 GLN 16 HG3 GLN 16 -3.112 -4.886 -8.440 123 HE21 GLN 16 HE21 GLN 16 -4.534 -2.624 -10.635 124 HE22 GLN 16 HE22 GLN 16 -5.355 -3.780 -11.616 125 H ALA 17 H ALA 17 -4.355 -0.950 -5.155 126 HA ALA 17 HA ALA 17 -6.369 -2.067 -3.307 127 HB1 ALA 17 HB1 ALA 17 -5.853 -0.170 -1.840 128 HB2 ALA 17 HB2 ALA 17 -4.680 0.425 -3.017 129 HB3 ALA 17 HB3 ALA 17 -4.409 -1.115 -2.202 130 H VAL 18 H VAL 18 -8.378 -1.100 -3.109 131 HA VAL 18 HA VAL 18 -9.265 0.555 -5.320 132 HB VAL 18 HB VAL 18 -11.522 0.354 -4.278 133 HG11 VAL 18 HG11 VAL 18 -9.997 -2.217 -4.686 134 HG12 VAL 18 HG12 VAL 18 -10.844 -1.283 -5.916 135 HG13 VAL 18 HG13 VAL 18 -11.756 -2.090 -4.640 136 HG21 VAL 18 HG21 VAL 18 -10.063 -1.306 -2.211 137 HG22 VAL 18 HG22 VAL 18 -11.817 -1.194 -2.370 138 HG23 VAL 18 HG23 VAL 18 -10.879 0.234 -1.934 139 H ASP 19 H ASP 19 -7.993 1.155 -2.272 140 HA ASP 19 HA ASP 19 -9.071 3.902 -2.251 141 HB2 ASP 19 HB2 ASP 19 -9.976 2.272 -0.442 142 HB3 ASP 19 HB3 ASP 19 -8.376 2.395 0.275 143 H THR 20 H THR 20 -7.579 5.473 -1.190 144 HA THR 20 HA THR 20 -4.895 5.002 -2.150 145 HB THR 20 HB THR 20 -4.449 7.340 -1.565 146 HG1 THR 20 HG1 THR 20 -5.541 8.028 0.122 147 HG21 THR 20 HG21 THR 20 -6.154 8.407 -3.005 148 HG22 THR 20 HG22 THR 20 -7.128 6.939 -2.919 149 HG23 THR 20 HG23 THR 20 -5.543 6.906 -3.697 150 HA PRO 21 HA PRO 21 -3.087 3.650 1.618 151 HB2 PRO 21 HB2 PRO 21 -0.481 4.298 1.208 152 HB3 PRO 21 HB3 PRO 21 -1.296 2.993 0.337 153 HG2 PRO 21 HG2 PRO 21 -0.738 5.802 -0.552 154 HG3 PRO 21 HG3 PRO 21 -0.554 4.286 -1.455 155 HD2 PRO 21 HD2 PRO 21 -2.694 5.929 -1.770 156 HD3 PRO 21 HD3 PRO 21 -2.803 4.168 -1.962 157 H LYS 22 H LYS 22 -3.077 4.443 3.606 158 HA LYS 22 HA LYS 22 -2.314 7.244 4.117 159 HB2 LYS 22 HB2 LYS 22 -4.480 6.742 4.990 160 HB3 LYS 22 HB3 LYS 22 -3.929 5.222 5.681 161 HG2 LYS 22 HG2 LYS 22 -2.497 6.527 7.256 162 HG3 LYS 22 HG3 LYS 22 -3.237 8.002 6.630 163 HD2 LYS 22 HD2 LYS 22 -5.403 7.329 7.418 164 HD3 LYS 22 HD3 LYS 22 -4.807 5.720 7.836 165 HE2 LYS 22 HE2 LYS 22 -3.969 8.319 9.132 166 HE3 LYS 22 HE3 LYS 22 -5.052 7.116 9.829 167 HZ1 LYS 22 HZ1 LYS 22 -3.208 5.518 9.766 168 HZ2 LYS 22 HZ2 LYS 22 -2.845 6.866 10.720 169 HZ3 LYS 22 HZ3 LYS 22 -2.182 6.723 9.174 170 H TYR 23 H TYR 23 -0.464 7.711 5.256 171 HA TYR 23 HA TYR 23 1.198 5.475 6.123 172 HB2 TYR 23 HB2 TYR 23 2.321 7.159 4.827 173 HB3 TYR 23 HB3 TYR 23 1.741 8.441 5.885 174 HD1 TYR 23 HD1 TYR 23 3.768 5.283 6.081 175 HD2 TYR 23 HD2 TYR 23 3.207 9.271 7.482 176 HE1 TYR 23 HE1 TYR 23 5.812 5.093 7.438 177 HE2 TYR 23 HE2 TYR 23 5.251 9.087 8.835 178 HH TYR 23 HH TYR 23 7.536 6.742 8.410 179 H ASP 24 H ASP 24 1.226 4.765 8.174 180 HA ASP 24 HA ASP 24 0.323 6.552 10.323 181 HB2 ASP 24 HB2 ASP 24 -0.653 4.273 10.218 182 HB3 ASP 24 HB3 ASP 24 0.957 3.587 10.438 183 H GLU 25 H GLU 25 1.902 7.804 11.106 184 HA GLU 25 HA GLU 25 4.663 7.201 10.792 185 HB2 GLU 25 HB2 GLU 25 3.589 9.490 10.832 186 HB3 GLU 25 HB3 GLU 25 3.465 9.323 12.579 187 HG2 GLU 25 HG2 GLU 25 5.865 9.209 12.787 188 HG3 GLU 25 HG3 GLU 25 6.052 9.204 11.033 189 H GLU 26 H GLU 26 2.392 6.476 13.274 190 HA GLU 26 HA GLU 26 4.165 6.325 15.492 191 HB2 GLU 26 HB2 GLU 26 1.567 4.823 15.112 192 HB3 GLU 26 HB3 GLU 26 2.368 5.176 16.636 193 HG2 GLU 26 HG2 GLU 26 1.066 7.147 14.769 194 HG3 GLU 26 HG3 GLU 26 0.488 6.638 16.353 195 H SER 27 H SER 27 2.906 3.856 13.256 196 HA SER 27 HA SER 27 4.707 1.850 14.443 197 HB2 SER 27 HB2 SER 27 3.361 0.185 13.264 198 HB3 SER 27 HB3 SER 27 2.314 1.255 14.194 199 HG SER 27 HG SER 27 1.575 2.157 12.379 200 H GLY 28 H GLY 28 4.207 3.680 11.515 201 HA2 GLY 28 HA2 GLY 28 5.829 4.030 9.846 202 HA3 GLY 28 HA3 GLY 28 6.699 2.614 10.412 203 H PHE 29 H PHE 29 3.423 1.925 10.075 204 HA PHE 29 HA PHE 29 3.930 0.478 7.574 205 HB2 PHE 29 HB2 PHE 29 1.617 0.287 9.526 206 HB3 PHE 29 HB3 PHE 29 1.814 -0.715 8.095 207 HD1 PHE 29 HD1 PHE 29 4.258 -1.881 8.007 208 HD2 PHE 29 HD2 PHE 29 2.187 -0.687 11.529 209 HE1 PHE 29 HE1 PHE 29 5.546 -3.518 9.314 210 HE2 PHE 29 HE2 PHE 29 3.475 -2.316 12.844 211 HZ PHE 29 HZ PHE 29 5.160 -3.732 11.738 212 H TYR 30 H TYR 30 2.486 0.557 5.795 213 HA TYR 30 HA TYR 30 0.843 2.990 5.602 214 HB2 TYR 30 HB2 TYR 30 2.100 1.183 3.551 215 HB3 TYR 30 HB3 TYR 30 0.742 2.213 3.106 216 HD1 TYR 30 HD1 TYR 30 4.231 2.254 4.385 217 HD2 TYR 30 HD2 TYR 30 1.042 4.532 2.723 218 HE1 TYR 30 HE1 TYR 30 5.765 4.146 4.037 219 HE2 TYR 30 HE2 TYR 30 2.570 6.424 2.367 220 HH TYR 30 HH TYR 30 4.655 7.288 3.200 221 H GLU 31 H GLU 31 -1.306 2.920 5.535 222 HA GLU 31 HA GLU 31 -2.664 0.320 5.648 223 HB2 GLU 31 HB2 GLU 31 -3.727 3.102 6.244 224 HB3 GLU 31 HB3 GLU 31 -4.574 1.591 6.534 225 HG2 GLU 31 HG2 GLU 31 -2.972 0.964 8.227 226 HG3 GLU 31 HG3 GLU 31 -1.997 2.390 7.878 227 H PHE 32 H PHE 32 -3.570 -0.430 3.810 228 HA PHE 32 HA PHE 32 -4.985 1.447 2.075 229 HB2 PHE 32 HB2 PHE 32 -3.979 0.402 0.026 230 HB3 PHE 32 HB3 PHE 32 -2.866 1.375 0.977 231 HD1 PHE 32 HD1 PHE 32 -1.221 0.198 2.496 232 HD2 PHE 32 HD2 PHE 32 -3.512 -1.849 -0.460 233 HE1 PHE 32 HE1 PHE 32 0.377 -1.669 2.552 234 HE2 PHE 32 HE2 PHE 32 -1.919 -3.719 -0.398 235 HZ PHE 32 HZ PHE 32 0.029 -3.631 1.105 236 H LYS 33 H LYS 33 -6.706 0.620 0.963 237 HA LYS 33 HA LYS 33 -7.708 -1.937 1.974 238 HB2 LYS 33 HB2 LYS 33 -9.106 0.068 2.215 239 HB3 LYS 33 HB3 LYS 33 -9.090 0.303 0.475 240 HG2 LYS 33 HG2 LYS 33 -10.287 -1.828 0.188 241 HG3 LYS 33 HG3 LYS 33 -10.331 -2.024 1.941 242 HD2 LYS 33 HD2 LYS 33 -11.581 0.256 0.389 243 HD3 LYS 33 HD3 LYS 33 -12.449 -1.130 1.052 244 HE2 LYS 33 HE2 LYS 33 -11.767 -0.465 3.319 245 HE3 LYS 33 HE3 LYS 33 -10.902 0.919 2.652 246 HZ1 LYS 33 HZ1 LYS 33 -13.048 1.705 1.759 247 HZ2 LYS 33 HZ2 LYS 33 -13.014 1.637 3.449 248 HZ3 LYS 33 HZ3 LYS 33 -13.829 0.444 2.568 249 H GLN 34 H GLN 34 -7.246 -3.676 0.756 250 HA GLN 34 HA GLN 34 -6.574 -3.633 -1.985 251 HB2 GLN 34 HB2 GLN 34 -7.501 -5.949 -0.271 252 HB3 GLN 34 HB3 GLN 34 -6.755 -6.102 -1.857 253 HG2 GLN 34 HG2 GLN 34 -4.699 -5.118 -1.011 254 HG3 GLN 34 HG3 GLN 34 -5.440 -4.884 0.571 255 HE21 GLN 34 HE21 GLN 34 -5.828 -6.692 1.874 256 HE22 GLN 34 HE22 GLN 34 -5.041 -8.203 1.596 257 H LEU 35 H LEU 35 -7.747 -5.208 -3.550 258 HA LEU 35 HA LEU 35 -9.988 -3.988 -4.538 259 HB2 LEU 35 HB2 LEU 35 -9.214 -6.886 -4.880 260 HB3 LEU 35 HB3 LEU 35 -10.309 -5.999 -5.926 261 HG LEU 35 HG LEU 35 -7.368 -5.403 -5.545 262 HD11 LEU 35 HD11 LEU 35 -7.126 -6.189 -7.852 263 HD12 LEU 35 HD12 LEU 35 -8.834 -6.629 -7.881 264 HD13 LEU 35 HD13 LEU 35 -7.727 -7.462 -6.788 265 HD21 LEU 35 HD21 LEU 35 -9.397 -4.132 -7.393 266 HD22 LEU 35 HD22 LEU 35 -7.659 -3.826 -7.411 267 HD23 LEU 35 HD23 LEU 35 -8.619 -3.367 -6.007 268 H ASP 36 H ASP 36 -9.967 -6.892 -2.474 269 HA ASP 36 HA ASP 36 -12.835 -7.162 -2.524 270 HB2 ASP 36 HB2 ASP 36 -10.797 -8.539 -0.757 271 HB3 ASP 36 HB3 ASP 36 -12.472 -9.034 -0.992 272 H GLY 37 H GLY 37 -11.410 -4.707 -1.220 273 HA2 GLY 37 HA2 GLY 37 -11.994 -3.268 0.502 274 HA3 GLY 37 HA3 GLY 37 -13.206 -4.430 1.021 275 H LYS 38 H LYS 38 -10.142 -5.797 0.653 276 HA LYS 38 HA LYS 38 -9.934 -6.310 3.489 277 HB2 LYS 38 HB2 LYS 38 -8.194 -7.169 1.164 278 HB3 LYS 38 HB3 LYS 38 -7.988 -7.715 2.823 279 HG2 LYS 38 HG2 LYS 38 -10.213 -8.738 2.766 280 HG3 LYS 38 HG3 LYS 38 -10.415 -8.194 1.098 281 HD2 LYS 38 HD2 LYS 38 -9.732 -10.560 1.229 282 HD3 LYS 38 HD3 LYS 38 -8.545 -9.568 0.384 283 HE2 LYS 38 HE2 LYS 38 -7.495 -11.177 1.928 284 HE3 LYS 38 HE3 LYS 38 -7.136 -9.506 2.363 285 HZ1 LYS 38 HZ1 LYS 38 -9.260 -11.146 3.633 286 HZ2 LYS 38 HZ2 LYS 38 -8.751 -9.607 4.116 287 HZ3 LYS 38 HZ3 LYS 38 -7.713 -10.934 4.277 288 H GLN 39 H GLN 39 -9.173 -4.615 4.685 289 HA GLN 39 HA GLN 39 -7.050 -2.911 3.798 290 HB2 GLN 39 HB2 GLN 39 -8.679 -2.060 5.380 291 HB3 GLN 39 HB3 GLN 39 -8.264 -3.314 6.543 292 HG2 GLN 39 HG2 GLN 39 -6.022 -2.364 6.772 293 HG3 GLN 39 HG3 GLN 39 -6.431 -1.111 5.601 294 HE21 GLN 39 HE21 GLN 39 -7.797 0.552 6.214 295 HE22 GLN 39 HE22 GLN 39 -8.174 0.874 7.870 296 H THR 40 H THR 40 -4.936 -3.340 3.806 297 HA THR 40 HA THR 40 -3.834 -5.094 5.903 298 HB THR 40 HB THR 40 -3.981 -6.476 3.883 299 HG1 THR 40 HG1 THR 40 -1.560 -6.772 3.662 300 HG21 THR 40 HG21 THR 40 -3.926 -4.729 2.174 301 HG22 THR 40 HG22 THR 40 -2.660 -5.921 1.880 302 HG23 THR 40 HG23 THR 40 -2.252 -4.358 2.586 303 H ARG 41 H ARG 41 -1.445 -4.811 6.157 304 HA ARG 41 HA ARG 41 -0.578 -2.083 5.453 305 HB2 ARG 41 HB2 ARG 41 -0.582 -3.278 8.234 306 HB3 ARG 41 HB3 ARG 41 0.239 -1.785 7.797 307 HG2 ARG 41 HG2 ARG 41 -1.868 -0.738 7.240 308 HG3 ARG 41 HG3 ARG 41 -2.731 -2.249 7.532 309 HD2 ARG 41 HD2 ARG 41 -1.170 -0.698 9.603 310 HD3 ARG 41 HD3 ARG 41 -2.926 -0.678 9.423 311 HE ARG 41 HE ARG 41 -2.512 -3.272 9.742 312 HH11 ARG 41 HH11 ARG 41 -1.172 -0.620 11.489 313 HH12 ARG 41 HH12 ARG 41 -0.986 -1.539 12.939 314 HH21 ARG 41 HH21 ARG 41 -2.278 -4.425 11.606 315 HH22 ARG 41 HH22 ARG 41 -1.614 -3.659 13.010 316 H ILE 42 H ILE 42 1.587 -1.806 5.132 317 HA ILE 42 HA ILE 42 3.448 -3.943 5.895 318 HB ILE 42 HB ILE 42 2.711 -4.350 3.529 319 HG12 ILE 42 HG12 ILE 42 5.640 -3.608 3.794 320 HG13 ILE 42 HG13 ILE 42 4.930 -5.091 4.420 321 HG21 ILE 42 HG21 ILE 42 2.405 -2.026 2.834 322 HG22 ILE 42 HG22 ILE 42 3.516 -2.867 1.752 323 HG23 ILE 42 HG23 ILE 42 4.142 -1.749 2.964 324 HD11 ILE 42 HD11 ILE 42 6.064 -5.480 2.317 325 HD12 ILE 42 HD12 ILE 42 5.047 -4.275 1.525 326 HD13 ILE 42 HD13 ILE 42 4.331 -5.762 2.149 327 H ASN 43 H ASN 43 5.718 -3.220 5.931 328 HA ASN 43 HA ASN 43 5.868 -0.736 7.263 329 HB2 ASN 43 HB2 ASN 43 7.319 -2.769 7.661 330 HB3 ASN 43 HB3 ASN 43 8.234 -2.305 6.228 331 HD21 ASN 43 HD21 ASN 43 10.119 -1.853 7.272 332 HD22 ASN 43 HD22 ASN 43 10.308 -0.547 8.390 333 H LYS 44 H LYS 44 7.198 1.108 6.803 334 HA LYS 44 HA LYS 44 6.611 2.207 4.267 335 HB2 LYS 44 HB2 LYS 44 7.726 4.211 5.062 336 HB3 LYS 44 HB3 LYS 44 6.710 3.532 6.328 337 HG2 LYS 44 HG2 LYS 44 8.687 2.566 7.402 338 HG3 LYS 44 HG3 LYS 44 9.710 3.240 6.130 339 HD2 LYS 44 HD2 LYS 44 8.919 5.514 6.778 340 HD3 LYS 44 HD3 LYS 44 8.039 4.784 8.121 341 HE2 LYS 44 HE2 LYS 44 10.145 5.654 8.924 342 HE3 LYS 44 HE3 LYS 44 10.180 3.893 8.993 343 HZ1 LYS 44 HZ1 LYS 44 11.429 5.583 6.895 344 HZ2 LYS 44 HZ2 LYS 44 11.427 3.890 6.909 345 HZ3 LYS 44 HZ3 LYS 44 12.241 4.744 8.118 346 H ASP 45 H ASP 45 9.317 0.321 5.210 347 HA ASP 45 HA ASP 45 11.127 1.514 3.270 348 HB2 ASP 45 HB2 ASP 45 12.733 -0.187 3.993 349 HB3 ASP 45 HB3 ASP 45 12.044 0.655 5.373 350 H GLN 46 H GLN 46 8.625 -0.729 3.170 351 HA GLN 46 HA GLN 46 9.760 -2.335 1.018 352 HB2 GLN 46 HB2 GLN 46 7.001 -2.432 2.257 353 HB3 GLN 46 HB3 GLN 46 7.676 -3.610 1.137 354 HG2 GLN 46 HG2 GLN 46 8.670 -3.010 3.916 355 HG3 GLN 46 HG3 GLN 46 7.767 -4.436 3.411 356 HE21 GLN 46 HE21 GLN 46 10.418 -4.150 4.618 357 HE22 GLN 46 HE22 GLN 46 11.500 -4.974 3.556 358 H VAL 47 H VAL 47 7.549 0.364 1.376 359 HA VAL 47 HA VAL 47 6.299 0.065 -1.170 360 HB VAL 47 HB VAL 47 5.176 1.359 0.524 361 HG11 VAL 47 HG11 VAL 47 7.123 2.225 1.721 362 HG12 VAL 47 HG12 VAL 47 5.995 3.520 1.316 363 HG13 VAL 47 HG13 VAL 47 7.474 3.313 0.375 364 HG21 VAL 47 HG21 VAL 47 6.038 3.116 -1.779 365 HG22 VAL 47 HG22 VAL 47 4.634 3.402 -0.749 366 HG23 VAL 47 HG23 VAL 47 4.696 1.972 -1.780 367 H ARG 48 H ARG 48 7.377 0.138 -3.014 368 HA ARG 48 HA ARG 48 9.780 1.706 -3.376 369 HB2 ARG 48 HB2 ARG 48 9.564 -0.546 -4.356 370 HB3 ARG 48 HB3 ARG 48 8.220 0.009 -5.344 371 HG2 ARG 48 HG2 ARG 48 9.736 1.584 -6.486 372 HG3 ARG 48 HG3 ARG 48 11.076 0.965 -5.518 373 HD2 ARG 48 HD2 ARG 48 9.394 -0.639 -7.450 374 HD3 ARG 48 HD3 ARG 48 11.026 -0.046 -7.752 375 HE ARG 48 HE ARG 48 10.336 -2.084 -5.724 376 HH11 ARG 48 HH11 ARG 48 12.587 -0.651 -7.915 377 HH12 ARG 48 HH12 ARG 48 13.730 -1.944 -7.750 378 HH21 ARG 48 HH21 ARG 48 11.853 -3.708 -5.501 379 HH22 ARG 48 HH22 ARG 48 13.332 -3.622 -6.394 380 H THR 49 H THR 49 6.692 1.555 -5.196 381 HA THR 49 HA THR 49 6.765 4.472 -5.549 382 HB THR 49 HB THR 49 6.166 4.240 -7.961 383 HG1 THR 49 HG1 THR 49 6.518 2.202 -8.947 384 HG21 THR 49 HG21 THR 49 8.487 4.739 -7.356 385 HG22 THR 49 HG22 THR 49 8.422 3.707 -8.783 386 HG23 THR 49 HG23 THR 49 8.832 3.016 -7.215 387 H VAL 50 H VAL 50 4.817 5.425 -5.448 388 HA VAL 50 HA VAL 50 2.407 3.728 -5.298 389 HB VAL 50 HB VAL 50 2.848 6.574 -4.339 390 HG11 VAL 50 HG11 VAL 50 0.468 4.749 -3.966 391 HG12 VAL 50 HG12 VAL 50 0.520 6.208 -4.955 392 HG13 VAL 50 HG13 VAL 50 0.682 6.325 -3.204 393 HG21 VAL 50 HG21 VAL 50 4.106 4.984 -3.000 394 HG22 VAL 50 HG22 VAL 50 2.664 3.990 -2.782 395 HG23 VAL 50 HG23 VAL 50 2.737 5.605 -2.077 396 H LYS 51 H LYS 51 0.983 3.771 -6.951 397 HA LYS 51 HA LYS 51 0.633 6.220 -8.541 398 HB2 LYS 51 HB2 LYS 51 1.196 3.486 -9.721 399 HB3 LYS 51 HB3 LYS 51 0.601 4.856 -10.647 400 HG2 LYS 51 HG2 LYS 51 2.650 6.098 -10.129 401 HG3 LYS 51 HG3 LYS 51 3.243 4.722 -9.193 402 HD2 LYS 51 HD2 LYS 51 3.223 3.325 -11.197 403 HD3 LYS 51 HD3 LYS 51 2.564 4.660 -12.142 404 HE2 LYS 51 HE2 LYS 51 4.599 5.960 -11.728 405 HE3 LYS 51 HE3 LYS 51 5.254 4.634 -10.767 406 HZ1 LYS 51 HZ1 LYS 51 6.117 4.637 -13.033 407 HZ2 LYS 51 HZ2 LYS 51 4.553 4.471 -13.650 408 HZ3 LYS 51 HZ3 LYS 51 5.236 3.234 -12.719 409 H ASP 52 H ASP 52 -1.456 6.524 -9.327 410 HA ASP 52 HA ASP 52 -3.514 4.724 -8.337 411 HB2 ASP 52 HB2 ASP 52 -3.683 7.354 -9.825 412 HB3 ASP 52 HB3 ASP 52 -5.089 6.430 -9.308 413 H LEU 53 H LEU 53 -4.895 3.481 -9.564 414 HA LEU 53 HA LEU 53 -4.027 2.539 -12.096 415 HB2 LEU 53 HB2 LEU 53 -6.680 2.175 -10.687 416 HB3 LEU 53 HB3 LEU 53 -6.164 1.271 -12.099 417 HG LEU 53 HG LEU 53 -4.828 1.199 -9.383 418 HD11 LEU 53 HD11 LEU 53 -6.515 -0.870 -10.798 419 HD12 LEU 53 HD12 LEU 53 -6.988 0.068 -9.381 420 HD13 LEU 53 HD13 LEU 53 -5.669 -1.096 -9.268 421 HD21 LEU 53 HD21 LEU 53 -3.483 -0.622 -10.320 422 HD22 LEU 53 HD22 LEU 53 -3.218 0.891 -11.188 423 HD23 LEU 53 HD23 LEU 53 -4.233 -0.366 -11.897 424 H LEU 54 H LEU 54 -6.046 5.175 -11.186 425 HA LEU 54 HA LEU 54 -7.416 5.410 -13.716 426 HB2 LEU 54 HB2 LEU 54 -7.154 7.360 -11.420 427 HB3 LEU 54 HB3 LEU 54 -8.208 7.576 -12.808 428 HG LEU 54 HG LEU 54 -8.430 5.370 -10.749 429 HD11 LEU 54 HD11 LEU 54 -10.501 6.487 -10.091 430 HD12 LEU 54 HD12 LEU 54 -10.177 7.782 -11.244 431 HD13 LEU 54 HD13 LEU 54 -9.103 7.536 -9.866 432 HD21 LEU 54 HD21 LEU 54 -9.133 4.600 -12.954 433 HD22 LEU 54 HD22 LEU 54 -10.192 6.001 -13.122 434 HD23 LEU 54 HD23 LEU 54 -10.521 4.790 -11.886 435 H GLU 55 H GLU 55 -4.280 5.976 -12.844 436 HA GLU 55 HA GLU 55 -3.794 8.408 -14.314 437 HB2 GLU 55 HB2 GLU 55 -1.906 6.334 -13.173 438 HB3 GLU 55 HB3 GLU 55 -1.382 7.828 -13.935 439 HG2 GLU 55 HG2 GLU 55 -3.119 7.660 -11.475 440 HG3 GLU 55 HG3 GLU 55 -1.379 7.943 -11.476 Start of MODEL 16 1 H1 MET 1 H1 MET 1 -12.376 9.931 0.017 2 H2 MET 1 H2 MET 1 -13.227 11.219 -0.666 3 H3 MET 1 H3 MET 1 -11.636 10.910 -1.146 4 HA MET 1 HA MET 1 -13.959 9.126 -1.591 5 HB2 MET 1 HB2 MET 1 -12.407 10.892 -3.501 6 HB3 MET 1 HB3 MET 1 -13.570 9.676 -4.010 7 HG2 MET 1 HG2 MET 1 -14.532 11.920 -4.016 8 HG3 MET 1 HG3 MET 1 -15.351 10.861 -2.866 9 HE1 MET 1 HE1 MET 1 -16.465 13.021 -1.716 10 HE2 MET 1 HE2 MET 1 -15.626 14.057 -2.871 11 HE3 MET 1 HE3 MET 1 -15.526 14.401 -1.146 12 H ALA 2 H ALA 2 -13.520 7.193 -2.727 13 HA ALA 2 HA ALA 2 -10.887 6.098 -2.256 14 HB1 ALA 2 HB1 ALA 2 -11.846 3.987 -2.997 15 HB2 ALA 2 HB2 ALA 2 -13.297 4.821 -3.558 16 HB3 ALA 2 HB3 ALA 2 -12.916 4.773 -1.837 17 H SER 3 H SER 3 -9.725 4.882 -3.970 18 HA SER 3 HA SER 3 -10.060 5.670 -6.719 19 HB2 SER 3 HB2 SER 3 -9.091 7.746 -5.885 20 HB3 SER 3 HB3 SER 3 -7.781 6.864 -5.106 21 HG SER 3 HG SER 3 -6.990 6.298 -7.144 22 HA PRO 4 HA PRO 4 -7.991 1.637 -6.820 23 HB2 PRO 4 HB2 PRO 4 -7.611 1.743 -9.596 24 HB3 PRO 4 HB3 PRO 4 -9.009 1.049 -8.772 25 HG2 PRO 4 HG2 PRO 4 -8.689 3.751 -10.010 26 HG3 PRO 4 HG3 PRO 4 -10.103 2.680 -9.996 27 HD2 PRO 4 HD2 PRO 4 -9.976 4.818 -8.391 28 HD3 PRO 4 HD3 PRO 4 -10.706 3.298 -7.831 29 H THR 5 H THR 5 -5.933 1.539 -6.161 30 HA THR 5 HA THR 5 -3.869 3.147 -7.539 31 HB THR 5 HB THR 5 -4.133 2.841 -4.532 32 HG1 THR 5 HG1 THR 5 -5.618 4.350 -5.142 33 HG21 THR 5 HG21 THR 5 -2.294 4.481 -4.428 34 HG22 THR 5 HG22 THR 5 -2.156 4.429 -6.185 35 HG23 THR 5 HG23 THR 5 -1.794 2.991 -5.228 36 H VAL 6 H VAL 6 -1.869 2.159 -7.762 37 HA VAL 6 HA VAL 6 -1.712 -0.631 -6.824 38 HB VAL 6 HB VAL 6 -1.584 -0.450 -9.245 39 HG11 VAL 6 HG11 VAL 6 0.845 1.296 -8.822 40 HG12 VAL 6 HG12 VAL 6 -0.717 1.820 -9.454 41 HG13 VAL 6 HG13 VAL 6 0.271 0.683 -10.374 42 HG21 VAL 6 HG21 VAL 6 0.522 -1.661 -9.616 43 HG22 VAL 6 HG22 VAL 6 -0.312 -2.228 -8.168 44 HG23 VAL 6 HG23 VAL 6 1.088 -1.163 -8.021 45 H ILE 7 H ILE 7 -0.488 -0.980 -5.119 46 HA ILE 7 HA ILE 7 1.726 0.821 -4.473 47 HB ILE 7 HB ILE 7 0.608 -1.514 -2.899 48 HG12 ILE 7 HG12 ILE 7 0.215 1.475 -2.551 49 HG13 ILE 7 HG13 ILE 7 -0.998 0.343 -3.138 50 HG21 ILE 7 HG21 ILE 7 1.909 -0.615 -1.017 51 HG22 ILE 7 HG22 ILE 7 2.590 0.618 -2.077 52 HG23 ILE 7 HG23 ILE 7 2.957 -1.085 -2.356 53 HD11 ILE 7 HD11 ILE 7 -1.406 0.901 -0.831 54 HD12 ILE 7 HD12 ILE 7 0.221 0.385 -0.388 55 HD13 ILE 7 HD13 ILE 7 -0.953 -0.798 -0.967 56 H THR 8 H THR 8 3.488 0.375 -5.648 57 HA THR 8 HA THR 8 4.253 -2.352 -6.297 58 HB THR 8 HB THR 8 5.684 0.262 -6.861 59 HG1 THR 8 HG1 THR 8 4.449 -1.253 -8.868 60 HG21 THR 8 HG21 THR 8 7.237 -1.621 -6.888 61 HG22 THR 8 HG22 THR 8 6.950 -1.041 -8.529 62 HG23 THR 8 HG23 THR 8 6.161 -2.514 -7.964 63 H LEU 9 H LEU 9 5.407 -3.569 -4.915 64 HA LEU 9 HA LEU 9 6.876 -2.387 -2.722 65 HB2 LEU 9 HB2 LEU 9 6.682 -5.290 -3.550 66 HB3 LEU 9 HB3 LEU 9 7.326 -4.685 -2.031 67 HG LEU 9 HG LEU 9 4.450 -4.505 -2.950 68 HD11 LEU 9 HD11 LEU 9 5.099 -6.745 -2.243 69 HD12 LEU 9 HD12 LEU 9 4.001 -6.010 -1.076 70 HD13 LEU 9 HD13 LEU 9 5.727 -6.098 -0.726 71 HD21 LEU 9 HD21 LEU 9 4.000 -3.565 -0.722 72 HD22 LEU 9 HD22 LEU 9 5.048 -2.519 -1.682 73 HD23 LEU 9 HD23 LEU 9 5.734 -3.516 -0.400 74 H ASN 10 H ASN 10 9.141 -2.946 -2.262 75 HA ASN 10 HA ASN 10 10.780 -2.045 -4.359 76 HB2 ASN 10 HB2 ASN 10 11.269 -1.679 -1.969 77 HB3 ASN 10 HB3 ASN 10 11.607 -3.396 -1.778 78 HD21 ASN 10 HD21 ASN 10 12.711 -0.401 -3.181 79 HD22 ASN 10 HD22 ASN 10 14.336 -0.916 -3.464 80 H ASP 11 H ASP 11 10.187 -5.323 -3.165 81 HA ASP 11 HA ASP 11 12.200 -6.547 -4.785 82 HB2 ASP 11 HB2 ASP 11 9.804 -7.688 -3.346 83 HB3 ASP 11 HB3 ASP 11 10.995 -8.672 -4.192 84 H GLY 12 H GLY 12 9.212 -5.210 -5.628 85 HA2 GLY 12 HA2 GLY 12 8.997 -5.031 -8.092 86 HA3 GLY 12 HA3 GLY 12 9.242 -6.764 -8.152 87 H ARG 13 H ARG 13 7.425 -7.270 -5.843 88 HA ARG 13 HA ARG 13 5.127 -7.863 -7.285 89 HB2 ARG 13 HB2 ARG 13 5.610 -8.988 -5.183 90 HB3 ARG 13 HB3 ARG 13 5.390 -7.486 -4.290 91 HG2 ARG 13 HG2 ARG 13 3.029 -7.429 -4.973 92 HG3 ARG 13 HG3 ARG 13 3.253 -8.940 -5.849 93 HD2 ARG 13 HD2 ARG 13 3.816 -10.063 -3.723 94 HD3 ARG 13 HD3 ARG 13 3.527 -8.544 -2.867 95 HE ARG 13 HE ARG 13 1.265 -9.175 -4.405 96 HH11 ARG 13 HH11 ARG 13 2.900 -10.268 -1.578 97 HH12 ARG 13 HH12 ARG 13 1.464 -10.929 -0.879 98 HH21 ARG 13 HH21 ARG 13 -0.561 -10.028 -3.500 99 HH22 ARG 13 HH22 ARG 13 -0.470 -10.804 -1.956 100 H GLU 14 H GLU 14 3.263 -6.852 -7.789 101 HA GLU 14 HA GLU 14 2.870 -4.089 -6.844 102 HB2 GLU 14 HB2 GLU 14 1.687 -5.518 -9.246 103 HB3 GLU 14 HB3 GLU 14 1.405 -3.834 -8.821 104 HG2 GLU 14 HG2 GLU 14 3.733 -3.297 -9.197 105 HG3 GLU 14 HG3 GLU 14 4.112 -4.995 -9.472 106 H ILE 15 H ILE 15 1.178 -3.617 -5.547 107 HA ILE 15 HA ILE 15 -0.855 -5.713 -5.083 108 HB ILE 15 HB ILE 15 0.033 -3.503 -3.206 109 HG12 ILE 15 HG12 ILE 15 0.512 -6.501 -3.095 110 HG13 ILE 15 HG13 ILE 15 1.725 -5.281 -3.468 111 HG21 ILE 15 HG21 ILE 15 -1.389 -4.603 -1.536 112 HG22 ILE 15 HG22 ILE 15 -1.917 -5.770 -2.748 113 HG23 ILE 15 HG23 ILE 15 -2.336 -4.066 -2.924 114 HD11 ILE 15 HD11 ILE 15 1.927 -6.075 -1.183 115 HD12 ILE 15 HD12 ILE 15 0.269 -5.574 -0.847 116 HD13 ILE 15 HD13 ILE 15 1.501 -4.365 -1.219 117 H GLN 16 H GLN 16 -2.951 -5.272 -5.482 118 HA GLN 16 HA GLN 16 -3.628 -2.614 -6.527 119 HB2 GLN 16 HB2 GLN 16 -5.076 -5.265 -6.695 120 HB3 GLN 16 HB3 GLN 16 -5.665 -3.766 -7.401 121 HG2 GLN 16 HG2 GLN 16 -3.773 -3.671 -8.896 122 HG3 GLN 16 HG3 GLN 16 -3.046 -5.078 -8.122 123 HE21 GLN 16 HE21 GLN 16 -5.626 -3.963 -10.186 124 HE22 GLN 16 HE22 GLN 16 -6.034 -5.511 -10.834 125 H ALA 17 H ALA 17 -4.630 -1.191 -5.256 126 HA ALA 17 HA ALA 17 -6.475 -2.161 -3.155 127 HB1 ALA 17 HB1 ALA 17 -5.833 -0.220 -1.807 128 HB2 ALA 17 HB2 ALA 17 -4.701 0.284 -3.063 129 HB3 ALA 17 HB3 ALA 17 -4.435 -1.223 -2.189 130 H VAL 18 H VAL 18 -8.326 -0.852 -2.710 131 HA VAL 18 HA VAL 18 -9.361 0.515 -5.057 132 HB VAL 18 HB VAL 18 -11.510 0.567 -3.864 133 HG11 VAL 18 HG11 VAL 18 -10.162 -2.132 -3.743 134 HG12 VAL 18 HG12 VAL 18 -10.932 -1.419 -5.161 135 HG13 VAL 18 HG13 VAL 18 -11.903 -1.851 -3.752 136 HG21 VAL 18 HG21 VAL 18 -9.992 -0.712 -1.585 137 HG22 VAL 18 HG22 VAL 18 -11.745 -0.531 -1.668 138 HG23 VAL 18 HG23 VAL 18 -10.713 0.897 -1.587 139 H ASP 19 H ASP 19 -7.751 1.433 -2.224 140 HA ASP 19 HA ASP 19 -8.278 4.234 -2.837 141 HB2 ASP 19 HB2 ASP 19 -8.332 4.668 -0.273 142 HB3 ASP 19 HB3 ASP 19 -9.797 4.121 -1.082 143 H THR 20 H THR 20 -6.718 5.705 -1.612 144 HA THR 20 HA THR 20 -4.059 4.697 -2.105 145 HB THR 20 HB THR 20 -3.351 7.052 -1.526 146 HG1 THR 20 HG1 THR 20 -5.284 7.436 -0.188 147 HG21 THR 20 HG21 THR 20 -5.500 6.763 -3.638 148 HG22 THR 20 HG22 THR 20 -3.788 6.382 -3.846 149 HG23 THR 20 HG23 THR 20 -4.295 8.047 -3.560 150 HA PRO 21 HA PRO 21 -3.152 3.536 2.043 151 HB2 PRO 21 HB2 PRO 21 -0.450 3.424 1.935 152 HB3 PRO 21 HB3 PRO 21 -1.485 2.254 1.107 153 HG2 PRO 21 HG2 PRO 21 -0.106 4.677 -0.002 154 HG3 PRO 21 HG3 PRO 21 -0.206 3.041 -0.682 155 HD2 PRO 21 HD2 PRO 21 -1.808 5.069 -1.518 156 HD3 PRO 21 HD3 PRO 21 -2.344 3.376 -1.500 157 H LYS 22 H LYS 22 -3.263 4.728 3.847 158 HA LYS 22 HA LYS 22 -2.033 7.365 4.030 159 HB2 LYS 22 HB2 LYS 22 -4.318 6.811 4.968 160 HB3 LYS 22 HB3 LYS 22 -3.515 5.819 6.179 161 HG2 LYS 22 HG2 LYS 22 -2.220 7.938 6.800 162 HG3 LYS 22 HG3 LYS 22 -3.411 8.803 5.832 163 HD2 LYS 22 HD2 LYS 22 -3.874 7.179 8.334 164 HD3 LYS 22 HD3 LYS 22 -4.129 8.906 8.099 165 HE2 LYS 22 HE2 LYS 22 -6.289 8.062 8.019 166 HE3 LYS 22 HE3 LYS 22 -5.864 8.168 6.312 167 HZ1 LYS 22 HZ1 LYS 22 -6.961 6.060 7.022 168 HZ2 LYS 22 HZ2 LYS 22 -5.572 5.688 7.911 169 HZ3 LYS 22 HZ3 LYS 22 -5.483 5.846 6.231 170 H TYR 23 H TYR 23 -0.264 7.892 5.358 171 HA TYR 23 HA TYR 23 1.261 5.602 6.387 172 HB2 TYR 23 HB2 TYR 23 2.461 7.045 4.830 173 HB3 TYR 23 HB3 TYR 23 2.134 8.451 5.837 174 HD1 TYR 23 HD1 TYR 23 3.607 5.024 6.260 175 HD2 TYR 23 HD2 TYR 23 3.915 9.182 7.134 176 HE1 TYR 23 HE1 TYR 23 5.690 4.603 7.494 177 HE2 TYR 23 HE2 TYR 23 6.000 8.771 8.371 178 HH TYR 23 HH TYR 23 7.170 6.989 9.484 179 H ASP 24 H ASP 24 1.488 5.215 8.485 180 HA ASP 24 HA ASP 24 0.875 7.340 10.443 181 HB2 ASP 24 HB2 ASP 24 -0.517 5.301 10.623 182 HB3 ASP 24 HB3 ASP 24 0.939 4.327 10.810 183 H GLU 25 H GLU 25 2.688 8.321 11.208 184 HA GLU 25 HA GLU 25 5.289 7.335 10.744 185 HB2 GLU 25 HB2 GLU 25 4.812 9.722 10.997 186 HB3 GLU 25 HB3 GLU 25 4.397 9.474 12.688 187 HG2 GLU 25 HG2 GLU 25 6.697 8.775 13.154 188 HG3 GLU 25 HG3 GLU 25 7.113 9.012 11.458 189 H GLU 26 H GLU 26 3.207 7.064 13.572 190 HA GLU 26 HA GLU 26 5.192 6.320 15.446 191 HB2 GLU 26 HB2 GLU 26 2.272 5.527 15.493 192 HB3 GLU 26 HB3 GLU 26 3.368 5.616 16.867 193 HG2 GLU 26 HG2 GLU 26 3.559 8.055 16.511 194 HG3 GLU 26 HG3 GLU 26 2.381 7.929 15.203 195 H SER 27 H SER 27 2.895 4.299 13.609 196 HA SER 27 HA SER 27 4.180 1.851 14.503 197 HB2 SER 27 HB2 SER 27 1.932 2.177 12.497 198 HB3 SER 27 HB3 SER 27 2.400 0.696 13.334 199 HG SER 27 HG SER 27 1.040 2.947 14.296 200 H GLY 28 H GLY 28 4.213 3.896 11.687 201 HA2 GLY 28 HA2 GLY 28 5.764 3.914 9.961 202 HA3 GLY 28 HA3 GLY 28 6.415 2.399 10.558 203 H PHE 29 H PHE 29 3.055 2.249 10.145 204 HA PHE 29 HA PHE 29 3.438 0.637 7.711 205 HB2 PHE 29 HB2 PHE 29 1.194 0.601 9.746 206 HB3 PHE 29 HB3 PHE 29 1.263 -0.413 8.310 207 HD1 PHE 29 HD1 PHE 29 3.339 -1.947 8.084 208 HD2 PHE 29 HD2 PHE 29 2.091 -0.170 11.744 209 HE1 PHE 29 HE1 PHE 29 4.589 -3.656 9.337 210 HE2 PHE 29 HE2 PHE 29 3.343 -1.870 13.001 211 HZ PHE 29 HZ PHE 29 4.596 -3.617 11.797 212 H TYR 30 H TYR 30 1.940 0.737 5.995 213 HA TYR 30 HA TYR 30 0.417 3.235 5.746 214 HB2 TYR 30 HB2 TYR 30 1.407 1.228 3.715 215 HB3 TYR 30 HB3 TYR 30 0.215 2.457 3.306 216 HD1 TYR 30 HD1 TYR 30 3.726 1.910 4.339 217 HD2 TYR 30 HD2 TYR 30 0.848 4.737 2.969 218 HE1 TYR 30 HE1 TYR 30 5.526 3.517 3.874 219 HE2 TYR 30 HE2 TYR 30 2.645 6.347 2.504 220 HH TYR 30 HH TYR 30 4.945 6.797 3.224 221 H GLU 31 H GLU 31 -1.782 3.243 5.619 222 HA GLU 31 HA GLU 31 -3.191 0.684 5.955 223 HB2 GLU 31 HB2 GLU 31 -4.270 3.502 6.214 224 HB3 GLU 31 HB3 GLU 31 -5.087 2.021 6.686 225 HG2 GLU 31 HG2 GLU 31 -3.484 1.653 8.459 226 HG3 GLU 31 HG3 GLU 31 -2.561 3.071 7.950 227 H PHE 32 H PHE 32 -4.073 -0.228 4.176 228 HA PHE 32 HA PHE 32 -5.492 1.457 2.260 229 HB2 PHE 32 HB2 PHE 32 -4.394 0.448 0.309 230 HB3 PHE 32 HB3 PHE 32 -3.244 1.325 1.308 231 HD1 PHE 32 HD1 PHE 32 -1.713 0.019 2.836 232 HD2 PHE 32 HD2 PHE 32 -4.099 -1.843 -0.167 233 HE1 PHE 32 HE1 PHE 32 -0.282 -1.977 2.931 234 HE2 PHE 32 HE2 PHE 32 -2.666 -3.838 -0.072 235 HZ PHE 32 HZ PHE 32 -0.753 -3.906 1.478 236 H LYS 33 H LYS 33 -6.997 0.338 0.946 237 HA LYS 33 HA LYS 33 -7.851 -2.238 2.113 238 HB2 LYS 33 HB2 LYS 33 -9.325 -0.191 2.259 239 HB3 LYS 33 HB3 LYS 33 -9.495 -0.271 0.513 240 HG2 LYS 33 HG2 LYS 33 -10.491 -2.515 0.743 241 HG3 LYS 33 HG3 LYS 33 -10.377 -2.363 2.497 242 HD2 LYS 33 HD2 LYS 33 -11.961 -0.552 0.661 243 HD3 LYS 33 HD3 LYS 33 -12.632 -1.823 1.679 244 HE2 LYS 33 HE2 LYS 33 -12.998 0.233 2.817 245 HE3 LYS 33 HE3 LYS 33 -11.692 -0.587 3.667 246 HZ1 LYS 33 HZ1 LYS 33 -10.111 0.878 2.759 247 HZ2 LYS 33 HZ2 LYS 33 -11.393 1.862 3.244 248 HZ3 LYS 33 HZ3 LYS 33 -11.183 1.486 1.607 249 H GLN 34 H GLN 34 -7.289 -3.949 0.886 250 HA GLN 34 HA GLN 34 -6.588 -3.820 -1.848 251 HB2 GLN 34 HB2 GLN 34 -7.352 -6.213 -0.157 252 HB3 GLN 34 HB3 GLN 34 -6.629 -6.310 -1.757 253 HG2 GLN 34 HG2 GLN 34 -4.634 -5.144 -0.918 254 HG3 GLN 34 HG3 GLN 34 -5.358 -5.081 0.688 255 HE21 GLN 34 HE21 GLN 34 -5.465 -6.975 1.917 256 HE22 GLN 34 HE22 GLN 34 -4.571 -8.394 1.498 257 H LEU 35 H LEU 35 -7.645 -5.171 -3.593 258 HA LEU 35 HA LEU 35 -10.111 -4.108 -4.273 259 HB2 LEU 35 HB2 LEU 35 -8.879 -6.677 -5.261 260 HB3 LEU 35 HB3 LEU 35 -10.225 -5.858 -6.029 261 HG LEU 35 HG LEU 35 -7.404 -4.802 -5.760 262 HD11 LEU 35 HD11 LEU 35 -7.632 -6.556 -7.433 263 HD12 LEU 35 HD12 LEU 35 -7.365 -4.988 -8.198 264 HD13 LEU 35 HD13 LEU 35 -8.982 -5.694 -8.174 265 HD21 LEU 35 HD21 LEU 35 -8.168 -2.916 -7.129 266 HD22 LEU 35 HD22 LEU 35 -9.006 -2.973 -5.579 267 HD23 LEU 35 HD23 LEU 35 -9.823 -3.520 -7.042 268 H ASP 36 H ASP 36 -9.510 -7.026 -2.433 269 HA ASP 36 HA ASP 36 -12.167 -8.090 -2.709 270 HB2 ASP 36 HB2 ASP 36 -10.157 -9.494 -2.291 271 HB3 ASP 36 HB3 ASP 36 -10.014 -8.776 -0.689 272 H GLY 37 H GLY 37 -10.938 -5.521 -0.924 273 HA2 GLY 37 HA2 GLY 37 -12.287 -4.183 0.536 274 HA3 GLY 37 HA3 GLY 37 -13.153 -5.632 1.021 275 H LYS 38 H LYS 38 -10.102 -6.634 0.966 276 HA LYS 38 HA LYS 38 -9.819 -6.732 3.793 277 HB2 LYS 38 HB2 LYS 38 -7.813 -7.400 1.620 278 HB3 LYS 38 HB3 LYS 38 -7.700 -7.885 3.308 279 HG2 LYS 38 HG2 LYS 38 -9.599 -9.314 3.109 280 HG3 LYS 38 HG3 LYS 38 -9.975 -8.690 1.502 281 HD2 LYS 38 HD2 LYS 38 -8.918 -10.881 1.346 282 HD3 LYS 38 HD3 LYS 38 -7.875 -9.641 0.647 283 HE2 LYS 38 HE2 LYS 38 -6.517 -9.609 2.666 284 HE3 LYS 38 HE3 LYS 38 -7.590 -10.781 3.433 285 HZ1 LYS 38 HZ1 LYS 38 -6.979 -12.391 1.746 286 HZ2 LYS 38 HZ2 LYS 38 -5.603 -11.825 2.553 287 HZ3 LYS 38 HZ3 LYS 38 -5.960 -11.266 1.001 288 H GLN 39 H GLN 39 -9.478 -4.779 4.800 289 HA GLN 39 HA GLN 39 -7.519 -2.884 3.812 290 HB2 GLN 39 HB2 GLN 39 -9.584 -2.122 4.943 291 HB3 GLN 39 HB3 GLN 39 -9.063 -2.919 6.421 292 HG2 GLN 39 HG2 GLN 39 -7.097 -1.425 6.499 293 HG3 GLN 39 HG3 GLN 39 -7.696 -0.597 5.062 294 HE21 GLN 39 HE21 GLN 39 -7.920 1.364 6.115 295 HE22 GLN 39 HE22 GLN 39 -9.149 1.653 7.291 296 H THR 40 H THR 40 -5.410 -3.391 4.026 297 HA THR 40 HA THR 40 -4.506 -4.614 6.566 298 HB THR 40 HB THR 40 -4.420 -6.293 4.782 299 HG1 THR 40 HG1 THR 40 -2.818 -6.648 6.204 300 HG21 THR 40 HG21 THR 40 -4.144 -4.836 2.840 301 HG22 THR 40 HG22 THR 40 -2.858 -6.041 2.897 302 HG23 THR 40 HG23 THR 40 -2.533 -4.380 3.392 303 H ARG 41 H ARG 41 -2.130 -4.334 6.946 304 HA ARG 41 HA ARG 41 -1.250 -1.638 6.108 305 HB2 ARG 41 HB2 ARG 41 -1.125 -2.895 8.861 306 HB3 ARG 41 HB3 ARG 41 -0.357 -1.372 8.431 307 HG2 ARG 41 HG2 ARG 41 -2.426 -0.283 8.132 308 HG3 ARG 41 HG3 ARG 41 -3.315 -1.808 8.093 309 HD2 ARG 41 HD2 ARG 41 -1.850 -0.731 10.511 310 HD3 ARG 41 HD3 ARG 41 -3.584 -0.561 10.230 311 HE ARG 41 HE ARG 41 -3.509 -3.127 10.141 312 HH11 ARG 41 HH11 ARG 41 -1.559 -1.170 12.209 313 HH12 ARG 41 HH12 ARG 41 -1.349 -2.426 13.375 314 HH21 ARG 41 HH21 ARG 41 -3.239 -4.717 11.662 315 HH22 ARG 41 HH22 ARG 41 -2.265 -4.409 13.060 316 H ILE 42 H ILE 42 0.824 -1.459 5.418 317 HA ILE 42 HA ILE 42 2.720 -3.650 6.000 318 HB ILE 42 HB ILE 42 1.777 -3.887 3.706 319 HG12 ILE 42 HG12 ILE 42 4.720 -3.167 3.714 320 HG13 ILE 42 HG13 ILE 42 4.067 -4.691 4.309 321 HG21 ILE 42 HG21 ILE 42 1.433 -1.514 3.213 322 HG22 ILE 42 HG22 ILE 42 2.397 -2.296 1.960 323 HG23 ILE 42 HG23 ILE 42 3.179 -1.267 3.162 324 HD11 ILE 42 HD11 ILE 42 3.226 -5.196 2.072 325 HD12 ILE 42 HD12 ILE 42 4.971 -4.936 2.076 326 HD13 ILE 42 HD13 ILE 42 3.893 -3.673 1.481 327 H ASN 43 H ASN 43 4.944 -3.051 6.102 328 HA ASN 43 HA ASN 43 5.301 -0.462 7.252 329 HB2 ASN 43 HB2 ASN 43 6.450 -2.499 8.077 330 HB3 ASN 43 HB3 ASN 43 7.416 -2.528 6.604 331 HD21 ASN 43 HD21 ASN 43 9.354 -2.251 7.682 332 HD22 ASN 43 HD22 ASN 43 9.797 -0.765 8.438 333 H LYS 44 H LYS 44 6.806 1.160 6.670 334 HA LYS 44 HA LYS 44 6.575 2.071 4.049 335 HB2 LYS 44 HB2 LYS 44 8.179 3.824 4.687 336 HB3 LYS 44 HB3 LYS 44 6.957 3.568 5.925 337 HG2 LYS 44 HG2 LYS 44 8.507 2.343 7.296 338 HG3 LYS 44 HG3 LYS 44 9.723 2.373 6.019 339 HD2 LYS 44 HD2 LYS 44 9.862 4.816 6.205 340 HD3 LYS 44 HD3 LYS 44 8.632 4.793 7.472 341 HE2 LYS 44 HE2 LYS 44 10.925 4.982 8.375 342 HE3 LYS 44 HE3 LYS 44 10.100 3.524 8.925 343 HZ1 LYS 44 HZ1 LYS 44 12.056 3.628 6.691 344 HZ2 LYS 44 HZ2 LYS 44 11.319 2.240 7.312 345 HZ3 LYS 44 HZ3 LYS 44 12.409 3.121 8.260 346 H ASP 45 H ASP 45 9.139 0.076 5.428 347 HA ASP 45 HA ASP 45 11.113 0.748 3.486 348 HB2 ASP 45 HB2 ASP 45 12.384 -1.142 4.369 349 HB3 ASP 45 HB3 ASP 45 11.728 -0.157 5.668 350 H GLN 46 H GLN 46 8.333 -1.133 3.226 351 HA GLN 46 HA GLN 46 9.372 -2.968 1.223 352 HB2 GLN 46 HB2 GLN 46 6.568 -2.524 2.268 353 HB3 GLN 46 HB3 GLN 46 7.026 -3.790 1.138 354 HG2 GLN 46 HG2 GLN 46 8.230 -3.523 3.882 355 HG3 GLN 46 HG3 GLN 46 6.789 -4.480 3.548 356 HE21 GLN 46 HE21 GLN 46 7.774 -6.393 4.153 357 HE22 GLN 46 HE22 GLN 46 8.992 -7.157 3.195 358 H VAL 47 H VAL 47 7.713 0.121 1.249 359 HA VAL 47 HA VAL 47 6.508 -0.252 -1.337 360 HB VAL 47 HB VAL 47 5.381 1.153 0.301 361 HG11 VAL 47 HG11 VAL 47 7.702 3.060 -0.012 362 HG12 VAL 47 HG12 VAL 47 7.300 2.133 1.432 363 HG13 VAL 47 HG13 VAL 47 6.207 3.394 0.864 364 HG21 VAL 47 HG21 VAL 47 6.259 2.705 -2.138 365 HG22 VAL 47 HG22 VAL 47 4.820 3.028 -1.171 366 HG23 VAL 47 HG23 VAL 47 4.953 1.520 -2.077 367 H ARG 48 H ARG 48 7.500 -0.142 -3.177 368 HA ARG 48 HA ARG 48 10.020 1.198 -3.599 369 HB2 ARG 48 HB2 ARG 48 9.389 -0.976 -4.658 370 HB3 ARG 48 HB3 ARG 48 8.162 -0.136 -5.588 371 HG2 ARG 48 HG2 ARG 48 9.919 1.181 -6.694 372 HG3 ARG 48 HG3 ARG 48 11.140 0.306 -5.766 373 HD2 ARG 48 HD2 ARG 48 10.347 -1.811 -6.771 374 HD3 ARG 48 HD3 ARG 48 9.192 -0.896 -7.740 375 HE ARG 48 HE ARG 48 12.008 -0.208 -8.020 376 HH11 ARG 48 HH11 ARG 48 9.247 -1.814 -9.322 377 HH12 ARG 48 HH12 ARG 48 9.946 -1.971 -10.891 378 HH21 ARG 48 HH21 ARG 48 12.893 -0.441 -10.036 379 HH22 ARG 48 HH22 ARG 48 11.977 -1.208 -11.289 380 H THR 49 H THR 49 6.791 1.465 -5.102 381 HA THR 49 HA THR 49 7.055 4.369 -5.338 382 HB THR 49 HB THR 49 6.346 4.332 -7.743 383 HG1 THR 49 HG1 THR 49 5.596 2.119 -7.743 384 HG21 THR 49 HG21 THR 49 8.701 4.724 -7.178 385 HG22 THR 49 HG22 THR 49 8.546 3.833 -8.692 386 HG23 THR 49 HG23 THR 49 9.003 2.987 -7.213 387 H VAL 50 H VAL 50 5.122 5.378 -5.058 388 HA VAL 50 HA VAL 50 2.676 3.726 -5.016 389 HB VAL 50 HB VAL 50 3.107 6.492 -3.854 390 HG11 VAL 50 HG11 VAL 50 0.774 6.086 -4.469 391 HG12 VAL 50 HG12 VAL 50 0.965 6.130 -2.718 392 HG13 VAL 50 HG13 VAL 50 0.783 4.582 -3.542 393 HG21 VAL 50 HG21 VAL 50 4.431 4.825 -2.661 394 HG22 VAL 50 HG22 VAL 50 3.003 3.809 -2.466 395 HG23 VAL 50 HG23 VAL 50 3.085 5.377 -1.663 396 H LYS 51 H LYS 51 1.567 3.768 -6.878 397 HA LYS 51 HA LYS 51 1.113 6.366 -8.197 398 HB2 LYS 51 HB2 LYS 51 1.914 3.776 -9.532 399 HB3 LYS 51 HB3 LYS 51 1.184 5.114 -10.409 400 HG2 LYS 51 HG2 LYS 51 3.050 6.556 -9.814 401 HG3 LYS 51 HG3 LYS 51 3.778 5.250 -8.873 402 HD2 LYS 51 HD2 LYS 51 4.179 3.948 -10.821 403 HD3 LYS 51 HD3 LYS 51 3.159 4.994 -11.813 404 HE2 LYS 51 HE2 LYS 51 5.745 5.840 -10.499 405 HE3 LYS 51 HE3 LYS 51 5.582 5.361 -12.187 406 HZ1 LYS 51 HZ1 LYS 51 4.301 7.701 -10.877 407 HZ2 LYS 51 HZ2 LYS 51 3.979 7.201 -12.462 408 HZ3 LYS 51 HZ3 LYS 51 5.525 7.733 -12.044 409 H ASP 52 H ASP 52 -0.925 6.724 -8.977 410 HA ASP 52 HA ASP 52 -3.059 4.984 -8.206 411 HB2 ASP 52 HB2 ASP 52 -3.153 7.301 -10.162 412 HB3 ASP 52 HB3 ASP 52 -4.521 6.583 -9.318 413 H LEU 53 H LEU 53 -4.547 3.885 -9.643 414 HA LEU 53 HA LEU 53 -3.329 2.836 -12.068 415 HB2 LEU 53 HB2 LEU 53 -5.962 2.271 -10.698 416 HB3 LEU 53 HB3 LEU 53 -5.472 1.501 -12.196 417 HG LEU 53 HG LEU 53 -3.960 1.290 -9.582 418 HD11 LEU 53 HD11 LEU 53 -4.801 -1.015 -9.507 419 HD12 LEU 53 HD12 LEU 53 -5.808 -0.688 -10.917 420 HD13 LEU 53 HD13 LEU 53 -6.103 0.170 -9.405 421 HD21 LEU 53 HD21 LEU 53 -2.702 -0.476 -10.711 422 HD22 LEU 53 HD22 LEU 53 -2.532 1.063 -11.557 423 HD23 LEU 53 HD23 LEU 53 -3.604 -0.184 -12.198 424 H LEU 54 H LEU 54 -5.093 5.530 -11.296 425 HA LEU 54 HA LEU 54 -6.372 5.729 -13.943 426 HB2 LEU 54 HB2 LEU 54 -6.811 7.406 -11.462 427 HB3 LEU 54 HB3 LEU 54 -7.703 7.544 -12.967 428 HG LEU 54 HG LEU 54 -7.751 5.183 -11.075 429 HD11 LEU 54 HD11 LEU 54 -10.083 5.830 -10.710 430 HD12 LEU 54 HD12 LEU 54 -9.858 7.237 -11.751 431 HD13 LEU 54 HD13 LEU 54 -8.971 7.113 -10.230 432 HD21 LEU 54 HD21 LEU 54 -7.954 4.441 -13.394 433 HD22 LEU 54 HD22 LEU 54 -9.246 5.611 -13.667 434 HD23 LEU 54 HD23 LEU 54 -9.489 4.272 -12.545 435 H GLU 55 H GLU 55 -3.574 6.057 -13.865 436 HA GLU 55 HA GLU 55 -2.894 8.851 -13.713 437 HB2 GLU 55 HB2 GLU 55 -1.355 6.519 -14.883 438 HB3 GLU 55 HB3 GLU 55 -0.717 8.145 -14.702 439 HG2 GLU 55 HG2 GLU 55 -1.053 7.949 -12.248 440 HG3 GLU 55 HG3 GLU 55 -1.538 6.271 -12.489 Start of MODEL 17 1 H1 MET 1 H1 MET 1 -12.482 11.841 -1.263 2 H2 MET 1 H2 MET 1 -10.908 11.259 -1.469 3 H3 MET 1 H3 MET 1 -12.016 10.392 -0.525 4 HA MET 1 HA MET 1 -13.376 9.934 -2.445 5 HB2 MET 1 HB2 MET 1 -11.209 11.427 -3.959 6 HB3 MET 1 HB3 MET 1 -12.515 10.517 -4.709 7 HG2 MET 1 HG2 MET 1 -12.829 12.954 -2.965 8 HG3 MET 1 HG3 MET 1 -12.973 12.907 -4.721 9 HE1 MET 1 HE1 MET 1 -14.521 10.218 -5.250 10 HE2 MET 1 HE2 MET 1 -14.963 11.740 -6.024 11 HE3 MET 1 HE3 MET 1 -16.199 10.760 -5.236 12 H ALA 2 H ALA 2 -13.079 7.779 -2.427 13 HA ALA 2 HA ALA 2 -10.537 6.525 -2.202 14 HB1 ALA 2 HB1 ALA 2 -11.758 4.423 -2.452 15 HB2 ALA 2 HB2 ALA 2 -13.191 5.309 -2.980 16 HB3 ALA 2 HB3 ALA 2 -12.586 5.507 -1.334 17 H SER 3 H SER 3 -9.117 6.824 -3.834 18 HA SER 3 HA SER 3 -9.977 6.263 -6.595 19 HB2 SER 3 HB2 SER 3 -7.876 7.414 -7.279 20 HB3 SER 3 HB3 SER 3 -8.941 8.454 -6.337 21 HG SER 3 HG SER 3 -6.421 7.493 -5.747 22 HA PRO 4 HA PRO 4 -8.091 2.211 -6.143 23 HB2 PRO 4 HB2 PRO 4 -7.771 1.875 -8.922 24 HB3 PRO 4 HB3 PRO 4 -9.168 1.378 -7.964 25 HG2 PRO 4 HG2 PRO 4 -8.769 3.848 -9.598 26 HG3 PRO 4 HG3 PRO 4 -10.231 2.867 -9.383 27 HD2 PRO 4 HD2 PRO 4 -9.961 5.203 -8.123 28 HD3 PRO 4 HD3 PRO 4 -10.704 3.815 -7.294 29 H THR 5 H THR 5 -6.022 1.925 -5.594 30 HA THR 5 HA THR 5 -3.900 3.321 -7.119 31 HB THR 5 HB THR 5 -4.004 2.922 -4.113 32 HG1 THR 5 HG1 THR 5 -5.400 4.607 -4.918 33 HG21 THR 5 HG21 THR 5 -1.958 4.329 -5.843 34 HG22 THR 5 HG22 THR 5 -1.715 2.827 -4.950 35 HG23 THR 5 HG23 THR 5 -1.983 4.338 -4.079 36 H VAL 6 H VAL 6 -2.206 2.054 -7.765 37 HA VAL 6 HA VAL 6 -2.000 -0.658 -6.643 38 HB VAL 6 HB VAL 6 -2.118 -0.505 -9.104 39 HG11 VAL 6 HG11 VAL 6 -1.009 1.631 -9.459 40 HG12 VAL 6 HG12 VAL 6 -0.221 0.362 -10.397 41 HG13 VAL 6 HG13 VAL 6 0.523 0.947 -8.910 42 HG21 VAL 6 HG21 VAL 6 -0.234 -1.994 -9.592 43 HG22 VAL 6 HG22 VAL 6 -0.987 -2.400 -8.049 44 HG23 VAL 6 HG23 VAL 6 0.541 -1.518 -8.080 45 H ILE 7 H ILE 7 -0.474 -1.122 -5.209 46 HA ILE 7 HA ILE 7 1.740 0.774 -4.810 47 HB ILE 7 HB ILE 7 0.711 -1.392 -2.961 48 HG12 ILE 7 HG12 ILE 7 0.429 1.626 -2.849 49 HG13 ILE 7 HG13 ILE 7 -0.860 0.482 -3.205 50 HG21 ILE 7 HG21 ILE 7 2.195 -0.386 -1.275 51 HG22 ILE 7 HG22 ILE 7 2.826 0.718 -2.495 52 HG23 ILE 7 HG23 ILE 7 3.103 -1.016 -2.651 53 HD11 ILE 7 HD11 ILE 7 -0.632 -0.448 -0.949 54 HD12 ILE 7 HD12 ILE 7 -1.025 1.271 -0.933 55 HD13 ILE 7 HD13 ILE 7 0.623 0.740 -0.600 56 H THR 8 H THR 8 3.653 0.256 -5.604 57 HA THR 8 HA THR 8 4.315 -2.555 -6.163 58 HB THR 8 HB THR 8 5.744 -0.036 -7.077 59 HG1 THR 8 HG1 THR 8 3.809 -1.729 -8.304 60 HG21 THR 8 HG21 THR 8 7.233 -1.997 -6.954 61 HG22 THR 8 HG22 THR 8 6.929 -1.523 -8.626 62 HG23 THR 8 HG23 THR 8 6.095 -2.917 -7.941 63 H LEU 9 H LEU 9 5.505 -3.608 -4.714 64 HA LEU 9 HA LEU 9 6.983 -2.215 -2.648 65 HB2 LEU 9 HB2 LEU 9 6.704 -5.182 -3.168 66 HB3 LEU 9 HB3 LEU 9 7.362 -4.448 -1.715 67 HG LEU 9 HG LEU 9 4.497 -4.233 -2.665 68 HD11 LEU 9 HD11 LEU 9 5.049 -6.446 -1.807 69 HD12 LEU 9 HD12 LEU 9 3.969 -5.591 -0.708 70 HD13 LEU 9 HD13 LEU 9 5.687 -5.726 -0.328 71 HD21 LEU 9 HD21 LEU 9 4.072 -3.111 -0.527 72 HD22 LEU 9 HD22 LEU 9 5.200 -2.192 -1.522 73 HD23 LEU 9 HD23 LEU 9 5.797 -3.144 -0.161 74 H ASN 10 H ASN 10 9.222 -3.097 -2.055 75 HA ASN 10 HA ASN 10 10.998 -2.450 -4.156 76 HB2 ASN 10 HB2 ASN 10 11.461 -2.112 -1.726 77 HB3 ASN 10 HB3 ASN 10 11.665 -3.849 -1.552 78 HD21 ASN 10 HD21 ASN 10 12.994 -0.929 -2.898 79 HD22 ASN 10 HD22 ASN 10 14.576 -1.555 -3.194 80 H ASP 11 H ASP 11 9.796 -5.529 -2.985 81 HA ASP 11 HA ASP 11 11.585 -7.266 -4.300 82 HB2 ASP 11 HB2 ASP 11 8.639 -7.651 -3.687 83 HB3 ASP 11 HB3 ASP 11 9.745 -8.935 -4.158 84 H GLY 12 H GLY 12 9.358 -5.082 -5.646 85 HA2 GLY 12 HA2 GLY 12 8.812 -4.770 -7.913 86 HA3 GLY 12 HA3 GLY 12 9.408 -6.387 -8.265 87 H ARG 13 H ARG 13 7.510 -6.515 -5.572 88 HA ARG 13 HA ARG 13 5.348 -7.882 -6.876 89 HB2 ARG 13 HB2 ARG 13 6.188 -8.679 -4.752 90 HB3 ARG 13 HB3 ARG 13 5.881 -7.121 -3.997 91 HG2 ARG 13 HG2 ARG 13 3.470 -7.459 -4.296 92 HG3 ARG 13 HG3 ARG 13 3.790 -9.035 -5.028 93 HD2 ARG 13 HD2 ARG 13 4.833 -9.797 -2.958 94 HD3 ARG 13 HD3 ARG 13 4.570 -8.212 -2.228 95 HE ARG 13 HE ARG 13 2.117 -9.308 -3.116 96 HH11 ARG 13 HH11 ARG 13 4.486 -9.640 -0.642 97 HH12 ARG 13 HH12 ARG 13 3.359 -10.275 0.504 98 HH21 ARG 13 HH21 ARG 13 0.676 -10.110 -1.646 99 HH22 ARG 13 HH22 ARG 13 1.208 -10.520 -0.054 100 H GLU 14 H GLU 14 3.276 -7.143 -7.262 101 HA GLU 14 HA GLU 14 2.707 -4.337 -6.511 102 HB2 GLU 14 HB2 GLU 14 1.843 -5.853 -8.986 103 HB3 GLU 14 HB3 GLU 14 1.303 -4.231 -8.568 104 HG2 GLU 14 HG2 GLU 14 3.560 -3.387 -8.751 105 HG3 GLU 14 HG3 GLU 14 4.173 -5.013 -9.045 106 H ILE 15 H ILE 15 0.956 -3.950 -5.330 107 HA ILE 15 HA ILE 15 -1.204 -5.975 -5.228 108 HB ILE 15 HB ILE 15 -0.337 -4.150 -2.965 109 HG12 ILE 15 HG12 ILE 15 0.028 -7.147 -3.294 110 HG13 ILE 15 HG13 ILE 15 1.309 -5.946 -3.404 111 HG21 ILE 15 HG21 ILE 15 -2.388 -6.372 -3.026 112 HG22 ILE 15 HG22 ILE 15 -2.737 -4.645 -2.948 113 HG23 ILE 15 HG23 ILE 15 -1.918 -5.440 -1.604 114 HD11 ILE 15 HD11 ILE 15 -0.325 -6.580 -0.956 115 HD12 ILE 15 HD12 ILE 15 0.942 -5.355 -1.057 116 HD13 ILE 15 HD13 ILE 15 1.345 -7.061 -1.259 117 H GLN 16 H GLN 16 -3.227 -5.249 -5.697 118 HA GLN 16 HA GLN 16 -3.515 -2.409 -6.369 119 HB2 GLN 16 HB2 GLN 16 -5.260 -4.795 -7.019 120 HB3 GLN 16 HB3 GLN 16 -5.596 -3.144 -7.527 121 HG2 GLN 16 HG2 GLN 16 -3.491 -3.113 -8.793 122 HG3 GLN 16 HG3 GLN 16 -3.181 -4.779 -8.300 123 HE21 GLN 16 HE21 GLN 16 -5.134 -2.702 -10.291 124 HE22 GLN 16 HE22 GLN 16 -5.803 -3.950 -11.278 125 H ALA 17 H ALA 17 -4.674 -1.018 -5.211 126 HA ALA 17 HA ALA 17 -6.533 -2.027 -3.147 127 HB1 ALA 17 HB1 ALA 17 -5.879 -0.128 -1.740 128 HB2 ALA 17 HB2 ALA 17 -4.726 0.391 -2.973 129 HB3 ALA 17 HB3 ALA 17 -4.490 -1.142 -2.133 130 H VAL 18 H VAL 18 -8.189 -0.380 -2.477 131 HA VAL 18 HA VAL 18 -9.334 0.852 -4.874 132 HB VAL 18 HB VAL 18 -11.432 0.991 -3.613 133 HG11 VAL 18 HG11 VAL 18 -10.151 -1.738 -3.421 134 HG12 VAL 18 HG12 VAL 18 -10.937 -1.059 -4.846 135 HG13 VAL 18 HG13 VAL 18 -11.883 -1.404 -3.398 136 HG21 VAL 18 HG21 VAL 18 -9.880 -0.247 -1.329 137 HG22 VAL 18 HG22 VAL 18 -11.627 0.003 -1.367 138 HG23 VAL 18 HG23 VAL 18 -10.538 1.390 -1.375 139 H ASP 19 H ASP 19 -7.748 1.804 -1.969 140 HA ASP 19 HA ASP 19 -8.559 4.603 -2.441 141 HB2 ASP 19 HB2 ASP 19 -8.497 5.019 -0.043 142 HB3 ASP 19 HB3 ASP 19 -9.622 3.712 -0.393 143 H THR 20 H THR 20 -6.999 6.165 -1.346 144 HA THR 20 HA THR 20 -4.289 5.591 -2.156 145 HB THR 20 HB THR 20 -5.428 8.027 -0.750 146 HG1 THR 20 HG1 THR 20 -4.993 7.362 -3.479 147 HG21 THR 20 HG21 THR 20 -3.369 9.168 -1.495 148 HG22 THR 20 HG22 THR 20 -2.746 7.630 -2.092 149 HG23 THR 20 HG23 THR 20 -3.021 7.859 -0.365 150 HA PRO 21 HA PRO 21 -3.233 3.511 1.637 151 HB2 PRO 21 HB2 PRO 21 -0.468 3.981 1.424 152 HB3 PRO 21 HB3 PRO 21 -1.348 2.597 0.772 153 HG2 PRO 21 HG2 PRO 21 -0.492 5.115 -0.589 154 HG3 PRO 21 HG3 PRO 21 -0.530 3.455 -1.215 155 HD2 PRO 21 HD2 PRO 21 -2.395 5.227 -1.927 156 HD3 PRO 21 HD3 PRO 21 -2.832 3.531 -1.616 157 H LYS 22 H LYS 22 -3.193 4.131 3.679 158 HA LYS 22 HA LYS 22 -2.637 6.878 4.418 159 HB2 LYS 22 HB2 LYS 22 -4.563 5.944 5.455 160 HB3 LYS 22 HB3 LYS 22 -3.715 4.466 5.883 161 HG2 LYS 22 HG2 LYS 22 -2.325 5.803 7.479 162 HG3 LYS 22 HG3 LYS 22 -3.354 7.193 7.123 163 HD2 LYS 22 HD2 LYS 22 -5.281 6.092 8.017 164 HD3 LYS 22 HD3 LYS 22 -4.419 4.558 8.149 165 HE2 LYS 22 HE2 LYS 22 -4.628 5.615 10.333 166 HE3 LYS 22 HE3 LYS 22 -2.937 5.540 9.840 167 HZ1 LYS 22 HZ1 LYS 22 -4.687 7.928 9.635 168 HZ2 LYS 22 HZ2 LYS 22 -3.056 7.859 9.194 169 HZ3 LYS 22 HZ3 LYS 22 -3.504 7.678 10.815 170 H TYR 23 H TYR 23 -0.723 7.566 5.164 171 HA TYR 23 HA TYR 23 1.278 5.587 6.018 172 HB2 TYR 23 HB2 TYR 23 2.059 7.061 4.273 173 HB3 TYR 23 HB3 TYR 23 1.556 8.483 5.183 174 HD1 TYR 23 HD1 TYR 23 3.716 5.460 5.749 175 HD2 TYR 23 HD2 TYR 23 3.264 9.675 6.189 176 HE1 TYR 23 HE1 TYR 23 5.950 5.592 6.768 177 HE2 TYR 23 HE2 TYR 23 5.494 9.810 7.211 178 HH TYR 23 HH TYR 23 7.126 8.509 8.261 179 H ASP 24 H ASP 24 1.174 5.176 8.149 180 HA ASP 24 HA ASP 24 0.673 7.384 10.016 181 HB2 ASP 24 HB2 ASP 24 -0.642 5.286 10.260 182 HB3 ASP 24 HB3 ASP 24 0.854 4.412 10.577 183 H GLU 25 H GLU 25 2.414 8.454 10.663 184 HA GLU 25 HA GLU 25 5.075 7.547 10.365 185 HB2 GLU 25 HB2 GLU 25 4.649 9.889 10.288 186 HB3 GLU 25 HB3 GLU 25 3.857 9.871 11.857 187 HG2 GLU 25 HG2 GLU 25 5.956 9.440 12.965 188 HG3 GLU 25 HG3 GLU 25 6.781 9.296 11.414 189 H GLU 26 H GLU 26 2.898 7.616 13.138 190 HA GLU 26 HA GLU 26 4.826 7.161 15.142 191 HB2 GLU 26 HB2 GLU 26 1.913 6.360 15.197 192 HB3 GLU 26 HB3 GLU 26 2.960 6.610 16.588 193 HG2 GLU 26 HG2 GLU 26 3.204 8.991 15.885 194 HG3 GLU 26 HG3 GLU 26 1.989 8.693 14.643 195 H SER 27 H SER 27 2.811 4.866 13.306 196 HA SER 27 HA SER 27 4.064 2.596 14.659 197 HB2 SER 27 HB2 SER 27 1.973 2.577 12.465 198 HB3 SER 27 HB3 SER 27 2.445 1.216 13.484 199 HG SER 27 HG SER 27 0.946 3.510 14.123 200 H GLY 28 H GLY 28 4.232 4.256 11.579 201 HA2 GLY 28 HA2 GLY 28 5.987 4.120 10.041 202 HA3 GLY 28 HA3 GLY 28 6.582 2.695 10.874 203 H PHE 29 H PHE 29 3.256 2.518 10.103 204 HA PHE 29 HA PHE 29 3.879 0.656 7.895 205 HB2 PHE 29 HB2 PHE 29 1.521 0.688 9.797 206 HB3 PHE 29 HB3 PHE 29 1.703 -0.433 8.454 207 HD1 PHE 29 HD1 PHE 29 3.625 -2.059 8.477 208 HD2 PHE 29 HD2 PHE 29 2.558 0.274 11.876 209 HE1 PHE 29 HE1 PHE 29 4.857 -3.615 9.927 210 HE2 PHE 29 HE2 PHE 29 3.792 -1.279 13.330 211 HZ PHE 29 HZ PHE 29 4.944 -3.228 12.356 212 H TYR 30 H TYR 30 2.544 0.559 6.064 213 HA TYR 30 HA TYR 30 0.830 2.891 5.538 214 HB2 TYR 30 HB2 TYR 30 2.184 0.877 3.748 215 HB3 TYR 30 HB3 TYR 30 0.828 1.828 3.156 216 HD1 TYR 30 HD1 TYR 30 4.351 1.941 4.209 217 HD2 TYR 30 HD2 TYR 30 1.051 4.211 2.752 218 HE1 TYR 30 HE1 TYR 30 5.876 3.776 3.622 219 HE2 TYR 30 HE2 TYR 30 2.572 6.052 2.168 220 HH TYR 30 HH TYR 30 5.935 5.697 2.066 221 H GLU 31 H GLU 31 -1.334 2.690 5.476 222 HA GLU 31 HA GLU 31 -2.503 -0.018 5.639 223 HB2 GLU 31 HB2 GLU 31 -3.733 2.623 6.470 224 HB3 GLU 31 HB3 GLU 31 -4.431 1.026 6.717 225 HG2 GLU 31 HG2 GLU 31 -2.448 0.478 8.150 226 HG3 GLU 31 HG3 GLU 31 -1.963 2.167 8.014 227 H PHE 32 H PHE 32 -3.584 -0.746 3.888 228 HA PHE 32 HA PHE 32 -5.100 1.141 2.235 229 HB2 PHE 32 HB2 PHE 32 -4.119 0.240 0.138 230 HB3 PHE 32 HB3 PHE 32 -2.945 1.104 1.122 231 HD1 PHE 32 HD1 PHE 32 -1.301 -0.229 2.508 232 HD2 PHE 32 HD2 PHE 32 -3.776 -2.011 -0.471 233 HE1 PHE 32 HE1 PHE 32 0.198 -2.179 2.429 234 HE2 PHE 32 HE2 PHE 32 -2.278 -3.958 -0.550 235 HZ PHE 32 HZ PHE 32 -0.288 -4.045 0.901 236 H LYS 33 H LYS 33 -6.859 0.255 1.160 237 HA LYS 33 HA LYS 33 -7.573 -2.475 1.988 238 HB2 LYS 33 HB2 LYS 33 -9.135 -0.643 2.538 239 HB3 LYS 33 HB3 LYS 33 -9.299 -0.275 0.827 240 HG2 LYS 33 HG2 LYS 33 -10.320 -2.442 0.427 241 HG3 LYS 33 HG3 LYS 33 -10.093 -2.884 2.121 242 HD2 LYS 33 HD2 LYS 33 -11.827 -0.638 1.071 243 HD3 LYS 33 HD3 LYS 33 -12.392 -2.176 1.728 244 HE2 LYS 33 HE2 LYS 33 -11.363 -1.596 3.901 245 HE3 LYS 33 HE3 LYS 33 -10.871 -0.040 3.234 246 HZ1 LYS 33 HZ1 LYS 33 -13.252 0.428 2.835 247 HZ2 LYS 33 HZ2 LYS 33 -12.870 0.245 4.473 248 HZ3 LYS 33 HZ3 LYS 33 -13.647 -1.005 3.642 249 H GLN 34 H GLN 34 -7.158 -4.042 0.579 250 HA GLN 34 HA GLN 34 -6.554 -3.729 -2.140 251 HB2 GLN 34 HB2 GLN 34 -7.591 -6.202 -0.729 252 HB3 GLN 34 HB3 GLN 34 -6.770 -6.176 -2.283 253 HG2 GLN 34 HG2 GLN 34 -4.733 -5.390 -1.234 254 HG3 GLN 34 HG3 GLN 34 -5.543 -5.301 0.328 255 HE21 GLN 34 HE21 GLN 34 -4.139 -6.754 1.289 256 HE22 GLN 34 HE22 GLN 34 -4.136 -8.440 0.921 257 H LEU 35 H LEU 35 -7.764 -4.764 -3.987 258 HA LEU 35 HA LEU 35 -10.272 -3.579 -4.384 259 HB2 LEU 35 HB2 LEU 35 -9.116 -5.983 -5.809 260 HB3 LEU 35 HB3 LEU 35 -10.457 -5.011 -6.384 261 HG LEU 35 HG LEU 35 -7.602 -4.062 -6.052 262 HD11 LEU 35 HD11 LEU 35 -7.595 -3.947 -8.497 263 HD12 LEU 35 HD12 LEU 35 -9.218 -4.637 -8.538 264 HD13 LEU 35 HD13 LEU 35 -7.867 -5.593 -7.927 265 HD21 LEU 35 HD21 LEU 35 -10.036 -2.614 -7.115 266 HD22 LEU 35 HD22 LEU 35 -8.378 -2.016 -7.185 267 HD23 LEU 35 HD23 LEU 35 -9.166 -2.247 -5.626 268 H ASP 36 H ASP 36 -9.447 -6.652 -2.980 269 HA ASP 36 HA ASP 36 -12.023 -7.870 -3.156 270 HB2 ASP 36 HB2 ASP 36 -9.705 -8.433 -1.291 271 HB3 ASP 36 HB3 ASP 36 -11.113 -9.472 -1.497 272 H GLY 37 H GLY 37 -11.086 -5.220 -1.367 273 HA2 GLY 37 HA2 GLY 37 -12.274 -4.073 0.279 274 HA3 GLY 37 HA3 GLY 37 -13.318 -5.472 0.475 275 H LYS 38 H LYS 38 -9.873 -5.865 0.597 276 HA LYS 38 HA LYS 38 -10.046 -6.354 3.504 277 HB2 LYS 38 HB2 LYS 38 -8.200 -7.635 1.472 278 HB3 LYS 38 HB3 LYS 38 -8.193 -7.962 3.201 279 HG2 LYS 38 HG2 LYS 38 -10.557 -8.751 2.990 280 HG3 LYS 38 HG3 LYS 38 -10.410 -8.570 1.242 281 HD2 LYS 38 HD2 LYS 38 -8.750 -10.388 2.999 282 HD3 LYS 38 HD3 LYS 38 -10.049 -10.889 1.916 283 HE2 LYS 38 HE2 LYS 38 -8.742 -10.013 0.005 284 HE3 LYS 38 HE3 LYS 38 -7.426 -9.620 1.113 285 HZ1 LYS 38 HZ1 LYS 38 -8.490 -12.321 0.495 286 HZ2 LYS 38 HZ2 LYS 38 -7.353 -12.007 1.706 287 HZ3 LYS 38 HZ3 LYS 38 -6.964 -11.709 0.092 288 H GLN 39 H GLN 39 -9.119 -4.782 4.651 289 HA GLN 39 HA GLN 39 -7.005 -3.139 3.482 290 HB2 GLN 39 HB2 GLN 39 -8.886 -2.047 4.647 291 HB3 GLN 39 HB3 GLN 39 -8.444 -2.870 6.136 292 HG2 GLN 39 HG2 GLN 39 -6.309 -1.682 6.174 293 HG3 GLN 39 HG3 GLN 39 -6.725 -0.870 4.665 294 HE21 GLN 39 HE21 GLN 39 -6.118 0.267 7.278 295 HE22 GLN 39 HE22 GLN 39 -7.488 1.218 7.711 296 H THR 40 H THR 40 -4.974 -3.854 3.659 297 HA THR 40 HA THR 40 -4.180 -5.289 6.125 298 HB THR 40 HB THR 40 -4.011 -6.705 4.133 299 HG1 THR 40 HG1 THR 40 -2.382 -6.798 5.872 300 HG21 THR 40 HG21 THR 40 -2.414 -6.197 2.346 301 HG22 THR 40 HG22 THR 40 -2.052 -4.645 3.103 302 HG23 THR 40 HG23 THR 40 -3.662 -4.954 2.451 303 H ARG 41 H ARG 41 -1.836 -5.055 6.714 304 HA ARG 41 HA ARG 41 -0.928 -2.274 6.283 305 HB2 ARG 41 HB2 ARG 41 -0.930 -3.876 8.855 306 HB3 ARG 41 HB3 ARG 41 -0.173 -2.297 8.662 307 HG2 ARG 41 HG2 ARG 41 -2.315 -1.278 8.204 308 HG3 ARG 41 HG3 ARG 41 -3.109 -2.851 8.247 309 HD2 ARG 41 HD2 ARG 41 -2.703 -3.079 10.588 310 HD3 ARG 41 HD3 ARG 41 -1.634 -1.673 10.601 311 HE ARG 41 HE ARG 41 -3.666 -0.356 10.008 312 HH11 ARG 41 HH11 ARG 41 -4.028 -3.366 11.657 313 HH12 ARG 41 HH12 ARG 41 -5.534 -2.897 12.369 314 HH21 ARG 41 HH21 ARG 41 -5.584 0.201 10.906 315 HH22 ARG 41 HH22 ARG 41 -6.401 -0.912 11.955 316 H ILE 42 H ILE 42 1.151 -1.999 5.729 317 HA ILE 42 HA ILE 42 3.070 -4.194 6.181 318 HB ILE 42 HB ILE 42 2.215 -4.331 3.853 319 HG12 ILE 42 HG12 ILE 42 5.117 -3.460 4.009 320 HG13 ILE 42 HG13 ILE 42 4.524 -5.063 4.425 321 HG21 ILE 42 HG21 ILE 42 1.729 -1.967 3.488 322 HG22 ILE 42 HG22 ILE 42 2.789 -2.594 2.224 323 HG23 ILE 42 HG23 ILE 42 3.454 -1.597 3.518 324 HD11 ILE 42 HD11 ILE 42 5.516 -5.047 2.221 325 HD12 ILE 42 HD12 ILE 42 4.403 -3.780 1.705 326 HD13 ILE 42 HD13 ILE 42 3.788 -5.382 2.115 327 H ASN 43 H ASN 43 5.310 -3.525 6.234 328 HA ASN 43 HA ASN 43 5.685 -1.087 7.635 329 HB2 ASN 43 HB2 ASN 43 7.009 -3.245 7.889 330 HB3 ASN 43 HB3 ASN 43 7.874 -2.789 6.426 331 HD21 ASN 43 HD21 ASN 43 8.898 -3.174 9.098 332 HD22 ASN 43 HD22 ASN 43 9.642 -1.685 9.552 333 H LYS 44 H LYS 44 6.854 0.781 7.075 334 HA LYS 44 HA LYS 44 6.350 1.791 4.487 335 HB2 LYS 44 HB2 LYS 44 7.571 3.795 5.237 336 HB3 LYS 44 HB3 LYS 44 6.401 3.249 6.428 337 HG2 LYS 44 HG2 LYS 44 8.124 2.311 7.804 338 HG3 LYS 44 HG3 LYS 44 9.345 2.604 6.565 339 HD2 LYS 44 HD2 LYS 44 7.770 4.767 7.980 340 HD3 LYS 44 HD3 LYS 44 9.400 4.260 8.422 341 HE2 LYS 44 HE2 LYS 44 10.200 4.914 6.192 342 HE3 LYS 44 HE3 LYS 44 8.569 5.429 5.763 343 HZ1 LYS 44 HZ1 LYS 44 8.669 7.114 7.465 344 HZ2 LYS 44 HZ2 LYS 44 9.994 7.278 6.430 345 HZ3 LYS 44 HZ3 LYS 44 10.196 6.590 7.962 346 H ASP 45 H ASP 45 9.064 0.020 5.674 347 HA ASP 45 HA ASP 45 10.992 1.166 3.873 348 HB2 ASP 45 HB2 ASP 45 12.478 -0.663 4.651 349 HB3 ASP 45 HB3 ASP 45 11.769 0.262 5.969 350 H GLN 46 H GLN 46 8.474 -0.991 3.382 351 HA GLN 46 HA GLN 46 9.832 -2.612 1.374 352 HB2 GLN 46 HB2 GLN 46 6.933 -2.652 2.244 353 HB3 GLN 46 HB3 GLN 46 7.739 -3.862 1.250 354 HG2 GLN 46 HG2 GLN 46 8.399 -3.213 4.122 355 HG3 GLN 46 HG3 GLN 46 7.474 -4.605 3.562 356 HE21 GLN 46 HE21 GLN 46 10.069 -4.316 5.017 357 HE22 GLN 46 HE22 GLN 46 11.181 -5.284 4.113 358 H VAL 47 H VAL 47 8.021 0.306 1.389 359 HA VAL 47 HA VAL 47 6.667 -0.105 -1.109 360 HB VAL 47 HB VAL 47 5.698 1.382 0.560 361 HG11 VAL 47 HG11 VAL 47 7.751 2.295 1.523 362 HG12 VAL 47 HG12 VAL 47 6.643 3.581 1.050 363 HG13 VAL 47 HG13 VAL 47 8.047 3.212 0.047 364 HG21 VAL 47 HG21 VAL 47 6.465 2.835 -1.979 365 HG22 VAL 47 HG22 VAL 47 5.135 3.271 -0.906 366 HG23 VAL 47 HG23 VAL 47 5.098 1.737 -1.772 367 H ARG 48 H ARG 48 7.617 -0.115 -3.030 368 HA ARG 48 HA ARG 48 10.040 1.382 -3.591 369 HB2 ARG 48 HB2 ARG 48 9.635 -0.852 -4.596 370 HB3 ARG 48 HB3 ARG 48 8.256 -0.195 -5.467 371 HG2 ARG 48 HG2 ARG 48 9.822 1.394 -6.601 372 HG3 ARG 48 HG3 ARG 48 11.159 0.539 -5.829 373 HD2 ARG 48 HD2 ARG 48 10.360 -1.558 -6.909 374 HD3 ARG 48 HD3 ARG 48 9.151 -0.610 -7.773 375 HE ARG 48 HE ARG 48 11.992 -0.733 -8.294 376 HH11 ARG 48 HH11 ARG 48 9.056 0.989 -8.859 377 HH12 ARG 48 HH12 ARG 48 9.658 1.752 -10.287 378 HH21 ARG 48 HH21 ARG 48 12.732 0.207 -10.134 379 HH22 ARG 48 HH22 ARG 48 11.710 1.279 -11.033 380 H THR 49 H THR 49 6.794 1.310 -5.069 381 HA THR 49 HA THR 49 6.751 4.228 -5.291 382 HB THR 49 HB THR 49 6.009 4.095 -7.705 383 HG1 THR 49 HG1 THR 49 5.602 2.073 -8.266 384 HG21 THR 49 HG21 THR 49 8.277 4.832 -7.130 385 HG22 THR 49 HG22 THR 49 8.266 3.921 -8.642 386 HG23 THR 49 HG23 THR 49 8.830 3.156 -7.156 387 H VAL 50 H VAL 50 4.669 5.111 -5.565 388 HA VAL 50 HA VAL 50 2.394 3.224 -5.371 389 HB VAL 50 HB VAL 50 2.704 5.848 -3.879 390 HG11 VAL 50 HG11 VAL 50 0.403 3.890 -3.878 391 HG12 VAL 50 HG12 VAL 50 0.392 5.513 -4.570 392 HG13 VAL 50 HG13 VAL 50 0.553 5.297 -2.827 393 HG21 VAL 50 HG21 VAL 50 4.026 4.072 -2.872 394 HG22 VAL 50 HG22 VAL 50 2.619 3.007 -2.854 395 HG23 VAL 50 HG23 VAL 50 2.642 4.459 -1.851 396 H LYS 51 H LYS 51 1.035 3.468 -7.068 397 HA LYS 51 HA LYS 51 0.773 6.151 -8.297 398 HB2 LYS 51 HB2 LYS 51 1.022 3.524 -9.782 399 HB3 LYS 51 HB3 LYS 51 0.720 5.088 -10.527 400 HG2 LYS 51 HG2 LYS 51 2.901 5.883 -9.778 401 HG3 LYS 51 HG3 LYS 51 3.200 4.336 -8.981 402 HD2 LYS 51 HD2 LYS 51 3.033 3.204 -11.175 403 HD3 LYS 51 HD3 LYS 51 2.809 4.774 -11.948 404 HE2 LYS 51 HE2 LYS 51 5.017 5.479 -11.170 405 HE3 LYS 51 HE3 LYS 51 5.238 3.924 -10.366 406 HZ1 LYS 51 HZ1 LYS 51 4.828 4.261 -13.285 407 HZ2 LYS 51 HZ2 LYS 51 5.190 2.821 -12.480 408 HZ3 LYS 51 HZ3 LYS 51 6.334 4.062 -12.551 409 H ASP 52 H ASP 52 -1.257 6.808 -8.748 410 HA ASP 52 HA ASP 52 -3.561 5.273 -8.107 411 HB2 ASP 52 HB2 ASP 52 -3.256 7.791 -9.773 412 HB3 ASP 52 HB3 ASP 52 -4.804 7.118 -9.270 413 H LEU 53 H LEU 53 -4.631 3.786 -9.315 414 HA LEU 53 HA LEU 53 -3.736 2.842 -11.796 415 HB2 LEU 53 HB2 LEU 53 -6.403 2.528 -10.414 416 HB3 LEU 53 HB3 LEU 53 -5.996 1.689 -11.901 417 HG LEU 53 HG LEU 53 -4.520 1.388 -9.274 418 HD11 LEU 53 HD11 LEU 53 -5.514 -0.852 -9.206 419 HD12 LEU 53 HD12 LEU 53 -6.454 -0.479 -10.652 420 HD13 LEU 53 HD13 LEU 53 -6.744 0.409 -9.155 421 HD21 LEU 53 HD21 LEU 53 -3.398 -0.495 -10.399 422 HD22 LEU 53 HD22 LEU 53 -3.046 1.050 -11.174 423 HD23 LEU 53 HD23 LEU 53 -4.203 -0.060 -11.908 424 H LEU 54 H LEU 54 -5.685 5.560 -11.087 425 HA LEU 54 HA LEU 54 -6.807 5.782 -13.756 426 HB2 LEU 54 HB2 LEU 54 -6.847 7.742 -11.450 427 HB3 LEU 54 HB3 LEU 54 -7.762 7.896 -12.940 428 HG LEU 54 HG LEU 54 -8.133 5.698 -10.892 429 HD11 LEU 54 HD11 LEU 54 -9.858 8.102 -11.494 430 HD12 LEU 54 HD12 LEU 54 -8.877 7.867 -10.046 431 HD13 LEU 54 HD13 LEU 54 -10.245 6.800 -10.366 432 HD21 LEU 54 HD21 LEU 54 -8.663 4.951 -13.150 433 HD22 LEU 54 HD22 LEU 54 -9.703 6.357 -13.387 434 HD23 LEU 54 HD23 LEU 54 -10.134 5.130 -12.193 435 H GLU 55 H GLU 55 -4.887 5.840 -14.986 436 HA GLU 55 HA GLU 55 -3.295 8.317 -14.736 437 HB2 GLU 55 HB2 GLU 55 -1.446 7.019 -15.864 438 HB3 GLU 55 HB3 GLU 55 -1.851 6.498 -14.236 439 HG2 GLU 55 HG2 GLU 55 -3.132 4.621 -15.150 440 HG3 GLU 55 HG3 GLU 55 -2.736 5.145 -16.784 Start of MODEL 18 1 H1 MET 1 H1 MET 1 -15.465 8.204 -0.389 2 H2 MET 1 H2 MET 1 -15.504 8.239 -2.076 3 H3 MET 1 H3 MET 1 -15.819 9.647 -1.195 4 HA MET 1 HA MET 1 -13.618 9.739 -2.123 5 HB2 MET 1 HB2 MET 1 -13.627 9.311 0.880 6 HB3 MET 1 HB3 MET 1 -12.331 10.090 -0.018 7 HG2 MET 1 HG2 MET 1 -13.847 11.856 -0.713 8 HG3 MET 1 HG3 MET 1 -15.175 11.066 0.131 9 HE1 MET 1 HE1 MET 1 -14.510 14.275 2.282 10 HE2 MET 1 HE2 MET 1 -15.712 13.353 1.378 11 HE3 MET 1 HE3 MET 1 -14.373 14.128 0.530 12 H ALA 2 H ALA 2 -13.312 7.789 -3.351 13 HA ALA 2 HA ALA 2 -11.139 6.185 -2.327 14 HB1 ALA 2 HB1 ALA 2 -12.211 4.014 -2.707 15 HB2 ALA 2 HB2 ALA 2 -13.731 4.825 -3.087 16 HB3 ALA 2 HB3 ALA 2 -13.057 4.930 -1.460 17 H SER 3 H SER 3 -9.935 5.191 -3.974 18 HA SER 3 HA SER 3 -10.833 5.218 -6.720 19 HB2 SER 3 HB2 SER 3 -8.578 7.064 -5.859 20 HB3 SER 3 HB3 SER 3 -8.957 6.664 -7.534 21 HG SER 3 HG SER 3 -11.216 7.447 -6.453 22 HA PRO 4 HA PRO 4 -8.181 1.685 -6.767 23 HB2 PRO 4 HB2 PRO 4 -7.616 1.533 -9.453 24 HB3 PRO 4 HB3 PRO 4 -9.151 1.028 -8.739 25 HG2 PRO 4 HG2 PRO 4 -8.449 3.607 -10.102 26 HG3 PRO 4 HG3 PRO 4 -9.906 2.608 -10.280 27 HD2 PRO 4 HD2 PRO 4 -9.900 4.827 -8.765 28 HD3 PRO 4 HD3 PRO 4 -10.837 3.392 -8.298 29 H THR 5 H THR 5 -6.180 1.757 -5.938 30 HA THR 5 HA THR 5 -4.053 3.180 -7.413 31 HB THR 5 HB THR 5 -4.472 3.229 -4.409 32 HG1 THR 5 HG1 THR 5 -4.176 5.606 -5.782 33 HG21 THR 5 HG21 THR 5 -2.090 3.052 -4.907 34 HG22 THR 5 HG22 THR 5 -2.475 4.676 -4.339 35 HG23 THR 5 HG23 THR 5 -2.211 4.383 -6.059 36 H VAL 6 H VAL 6 -2.165 2.074 -7.648 37 HA VAL 6 HA VAL 6 -1.997 -0.582 -6.364 38 HB VAL 6 HB VAL 6 -2.204 -0.740 -8.784 39 HG11 VAL 6 HG11 VAL 6 -1.320 1.430 -9.432 40 HG12 VAL 6 HG12 VAL 6 -0.475 0.141 -10.292 41 HG13 VAL 6 HG13 VAL 6 0.299 0.946 -8.927 42 HG21 VAL 6 HG21 VAL 6 -0.240 -2.111 -9.265 43 HG22 VAL 6 HG22 VAL 6 -0.826 -2.404 -7.628 44 HG23 VAL 6 HG23 VAL 6 0.604 -1.405 -7.886 45 H ILE 7 H ILE 7 -0.396 -0.945 -4.969 46 HA ILE 7 HA ILE 7 1.780 1.015 -4.736 47 HB ILE 7 HB ILE 7 0.940 -1.173 -2.816 48 HG12 ILE 7 HG12 ILE 7 0.478 1.825 -2.711 49 HG13 ILE 7 HG13 ILE 7 -0.752 0.613 -3.043 50 HG21 ILE 7 HG21 ILE 7 2.415 -0.056 -1.204 51 HG22 ILE 7 HG22 ILE 7 2.918 1.086 -2.449 52 HG23 ILE 7 HG23 ILE 7 3.315 -0.625 -2.609 53 HD11 ILE 7 HD11 ILE 7 -0.453 -0.303 -0.795 54 HD12 ILE 7 HD12 ILE 7 -0.899 1.403 -0.759 55 HD13 ILE 7 HD13 ILE 7 0.772 0.925 -0.463 56 H THR 8 H THR 8 3.641 0.554 -5.716 57 HA THR 8 HA THR 8 4.435 -2.199 -6.268 58 HB THR 8 HB THR 8 5.861 0.399 -6.937 59 HG1 THR 8 HG1 THR 8 3.805 -0.991 -8.154 60 HG21 THR 8 HG21 THR 8 7.417 -1.489 -6.851 61 HG22 THR 8 HG22 THR 8 7.160 -0.973 -8.519 62 HG23 THR 8 HG23 THR 8 6.360 -2.423 -7.911 63 H LEU 9 H LEU 9 5.759 -3.344 -4.975 64 HA LEU 9 HA LEU 9 6.980 -2.019 -2.675 65 HB2 LEU 9 HB2 LEU 9 6.813 -4.970 -3.296 66 HB3 LEU 9 HB3 LEU 9 7.270 -4.248 -1.759 67 HG LEU 9 HG LEU 9 4.532 -4.072 -3.043 68 HD11 LEU 9 HD11 LEU 9 5.000 -6.306 -2.229 69 HD12 LEU 9 HD12 LEU 9 3.826 -5.509 -1.181 70 HD13 LEU 9 HD13 LEU 9 5.508 -5.658 -0.667 71 HD21 LEU 9 HD21 LEU 9 3.840 -3.059 -0.908 72 HD22 LEU 9 HD22 LEU 9 5.027 -2.067 -1.757 73 HD23 LEU 9 HD23 LEU 9 5.522 -3.045 -0.375 74 H ASN 10 H ASN 10 9.140 -2.744 -1.942 75 HA ASN 10 HA ASN 10 11.182 -2.122 -3.709 76 HB2 ASN 10 HB2 ASN 10 11.358 -2.029 -1.245 77 HB3 ASN 10 HB3 ASN 10 11.334 -3.788 -1.176 78 HD21 ASN 10 HD21 ASN 10 13.068 -1.797 -3.521 79 HD22 ASN 10 HD22 ASN 10 14.642 -2.280 -3.013 80 H ASP 11 H ASP 11 9.779 -5.234 -2.922 81 HA ASP 11 HA ASP 11 11.754 -6.853 -4.200 82 HB2 ASP 11 HB2 ASP 11 10.318 -7.675 -2.384 83 HB3 ASP 11 HB3 ASP 11 8.895 -7.456 -3.393 84 H GLY 12 H GLY 12 9.324 -4.868 -5.460 85 HA2 GLY 12 HA2 GLY 12 9.029 -4.535 -7.806 86 HA3 GLY 12 HA3 GLY 12 9.446 -6.221 -8.075 87 H ARG 13 H ARG 13 7.627 -6.992 -5.802 88 HA ARG 13 HA ARG 13 5.313 -7.594 -7.281 89 HB2 ARG 13 HB2 ARG 13 6.068 -8.948 -5.392 90 HB3 ARG 13 HB3 ARG 13 5.760 -7.615 -4.285 91 HG2 ARG 13 HG2 ARG 13 3.370 -7.757 -4.761 92 HG3 ARG 13 HG3 ARG 13 3.668 -9.061 -5.914 93 HD2 ARG 13 HD2 ARG 13 4.528 -10.473 -4.116 94 HD3 ARG 13 HD3 ARG 13 4.286 -9.168 -2.953 95 HE ARG 13 HE ARG 13 1.840 -9.647 -4.175 96 HH11 ARG 13 HH11 ARG 13 4.053 -11.359 -2.162 97 HH12 ARG 13 HH12 ARG 13 2.803 -12.292 -1.416 98 HH21 ARG 13 HH21 ARG 13 0.263 -10.847 -3.208 99 HH22 ARG 13 HH22 ARG 13 0.692 -12.011 -2.002 100 H GLU 14 H GLU 14 3.349 -6.624 -7.486 101 HA GLU 14 HA GLU 14 2.972 -4.009 -6.161 102 HB2 GLU 14 HB2 GLU 14 1.802 -5.043 -8.755 103 HB3 GLU 14 HB3 GLU 14 1.492 -3.458 -8.059 104 HG2 GLU 14 HG2 GLU 14 3.833 -2.858 -8.324 105 HG3 GLU 14 HG3 GLU 14 4.185 -4.461 -8.970 106 H ILE 15 H ILE 15 0.960 -3.478 -5.265 107 HA ILE 15 HA ILE 15 -1.029 -5.663 -5.065 108 HB ILE 15 HB ILE 15 -0.280 -3.725 -2.854 109 HG12 ILE 15 HG12 ILE 15 0.174 -6.721 -3.075 110 HG13 ILE 15 HG13 ILE 15 1.423 -5.489 -3.214 111 HG21 ILE 15 HG21 ILE 15 -2.279 -5.992 -2.879 112 HG22 ILE 15 HG22 ILE 15 -2.655 -4.271 -2.814 113 HG23 ILE 15 HG23 ILE 15 -1.823 -5.043 -1.464 114 HD11 ILE 15 HD11 ILE 15 -0.212 -6.107 -0.760 115 HD12 ILE 15 HD12 ILE 15 0.988 -4.821 -0.888 116 HD13 ILE 15 HD13 ILE 15 1.485 -6.505 -1.028 117 H GLN 16 H GLN 16 -3.057 -5.103 -5.674 118 HA GLN 16 HA GLN 16 -3.574 -2.306 -6.359 119 HB2 GLN 16 HB2 GLN 16 -5.200 -4.787 -6.969 120 HB3 GLN 16 HB3 GLN 16 -5.512 -3.173 -7.598 121 HG2 GLN 16 HG2 GLN 16 -3.357 -3.216 -8.769 122 HG3 GLN 16 HG3 GLN 16 -3.051 -4.835 -8.140 123 HE21 GLN 16 HE21 GLN 16 -4.888 -2.939 -10.386 124 HE22 GLN 16 HE22 GLN 16 -5.489 -4.259 -11.320 125 H ALA 17 H ALA 17 -4.730 -1.002 -5.113 126 HA ALA 17 HA ALA 17 -6.635 -2.137 -3.157 127 HB1 ALA 17 HB1 ALA 17 -4.696 -1.066 -2.106 128 HB2 ALA 17 HB2 ALA 17 -6.186 -0.192 -1.750 129 HB3 ALA 17 HB3 ALA 17 -5.061 0.436 -2.955 130 H VAL 18 H VAL 18 -8.567 -0.866 -2.706 131 HA VAL 18 HA VAL 18 -9.613 0.438 -5.098 132 HB VAL 18 HB VAL 18 -11.801 0.397 -3.937 133 HG11 VAL 18 HG11 VAL 18 -12.118 -2.026 -3.994 134 HG12 VAL 18 HG12 VAL 18 -10.371 -2.261 -3.954 135 HG13 VAL 18 HG13 VAL 18 -11.123 -1.480 -5.344 136 HG21 VAL 18 HG21 VAL 18 -10.307 -1.019 -1.721 137 HG22 VAL 18 HG22 VAL 18 -12.053 -0.789 -1.817 138 HG23 VAL 18 HG23 VAL 18 -10.991 0.605 -1.630 139 H ASP 19 H ASP 19 -8.137 1.422 -2.241 140 HA ASP 19 HA ASP 19 -8.881 4.191 -2.799 141 HB2 ASP 19 HB2 ASP 19 -8.894 4.559 -0.228 142 HB3 ASP 19 HB3 ASP 19 -10.327 3.896 -0.999 143 H THR 20 H THR 20 -7.411 5.749 -1.586 144 HA THR 20 HA THR 20 -4.705 4.990 -2.238 145 HB THR 20 HB THR 20 -4.123 7.332 -1.739 146 HG1 THR 20 HG1 THR 20 -5.361 8.218 -0.251 147 HG21 THR 20 HG21 THR 20 -5.002 6.803 -3.963 148 HG22 THR 20 HG22 THR 20 -5.517 8.412 -3.454 149 HG23 THR 20 HG23 THR 20 -6.649 7.061 -3.385 150 HA PRO 21 HA PRO 21 -3.482 3.727 1.784 151 HB2 PRO 21 HB2 PRO 21 -0.788 3.973 1.601 152 HB3 PRO 21 HB3 PRO 21 -1.696 2.734 0.728 153 HG2 PRO 21 HG2 PRO 21 -0.665 5.371 -0.261 154 HG3 PRO 21 HG3 PRO 21 -0.604 3.781 -1.047 155 HD2 PRO 21 HD2 PRO 21 -2.458 5.658 -1.687 156 HD3 PRO 21 HD3 PRO 21 -2.786 3.915 -1.782 157 H LYS 22 H LYS 22 -2.981 4.466 3.801 158 HA LYS 22 HA LYS 22 -2.313 7.323 4.120 159 HB2 LYS 22 HB2 LYS 22 -4.419 6.444 5.172 160 HB3 LYS 22 HB3 LYS 22 -3.428 5.389 6.171 161 HG2 LYS 22 HG2 LYS 22 -2.301 7.473 7.048 162 HG3 LYS 22 HG3 LYS 22 -3.551 8.398 6.216 163 HD2 LYS 22 HD2 LYS 22 -4.013 6.319 8.367 164 HD3 LYS 22 HD3 LYS 22 -4.089 8.065 8.590 165 HE2 LYS 22 HE2 LYS 22 -6.328 7.319 8.406 166 HE3 LYS 22 HE3 LYS 22 -5.946 8.086 6.866 167 HZ1 LYS 22 HZ1 LYS 22 -5.778 5.156 7.306 168 HZ2 LYS 22 HZ2 LYS 22 -5.741 5.980 5.828 169 HZ3 LYS 22 HZ3 LYS 22 -7.170 5.923 6.725 170 H TYR 23 H TYR 23 -0.429 7.928 5.132 171 HA TYR 23 HA TYR 23 1.484 5.829 5.753 172 HB2 TYR 23 HB2 TYR 23 2.195 7.788 4.427 173 HB3 TYR 23 HB3 TYR 23 1.841 8.838 5.795 174 HD1 TYR 23 HD1 TYR 23 3.885 5.821 4.940 175 HD2 TYR 23 HD2 TYR 23 3.604 9.391 7.251 176 HE1 TYR 23 HE1 TYR 23 6.161 5.448 5.786 177 HE2 TYR 23 HE2 TYR 23 5.883 9.021 8.098 178 HH TYR 23 HH TYR 23 7.995 6.694 6.741 179 H ASP 24 H ASP 24 1.800 5.044 7.713 180 HA ASP 24 HA ASP 24 0.818 6.489 10.069 181 HB2 ASP 24 HB2 ASP 24 0.017 4.231 9.903 182 HB3 ASP 24 HB3 ASP 24 1.640 3.616 9.607 183 H GLU 25 H GLU 25 2.297 7.823 10.954 184 HA GLU 25 HA GLU 25 5.138 7.304 10.724 185 HB2 GLU 25 HB2 GLU 25 4.112 9.591 10.519 186 HB3 GLU 25 HB3 GLU 25 3.760 9.532 12.240 187 HG2 GLU 25 HG2 GLU 25 6.143 9.381 12.738 188 HG3 GLU 25 HG3 GLU 25 6.515 9.382 11.015 189 H GLU 26 H GLU 26 2.704 6.523 12.981 190 HA GLU 26 HA GLU 26 4.136 6.579 15.409 191 HB2 GLU 26 HB2 GLU 26 1.869 4.765 14.547 192 HB3 GLU 26 HB3 GLU 26 2.464 4.899 16.195 193 HG2 GLU 26 HG2 GLU 26 1.198 7.113 14.584 194 HG3 GLU 26 HG3 GLU 26 0.425 6.191 15.869 195 H SER 27 H SER 27 3.579 3.841 13.170 196 HA SER 27 HA SER 27 5.981 2.551 14.318 197 HB2 SER 27 HB2 SER 27 3.916 1.302 14.825 198 HB3 SER 27 HB3 SER 27 3.580 1.165 13.097 199 HG SER 27 HG SER 27 5.904 0.216 13.165 200 H GLY 28 H GLY 28 4.341 3.503 11.352 201 HA2 GLY 28 HA2 GLY 28 5.872 4.098 9.524 202 HA3 GLY 28 HA3 GLY 28 6.780 2.644 9.887 203 H PHE 29 H PHE 29 3.368 2.193 9.961 204 HA PHE 29 HA PHE 29 3.609 0.544 7.556 205 HB2 PHE 29 HB2 PHE 29 1.417 0.720 9.633 206 HB3 PHE 29 HB3 PHE 29 1.379 -0.358 8.241 207 HD1 PHE 29 HD1 PHE 29 3.286 -2.054 8.010 208 HD2 PHE 29 HD2 PHE 29 2.437 0.043 11.616 209 HE1 PHE 29 HE1 PHE 29 4.506 -3.766 9.289 210 HE2 PHE 29 HE2 PHE 29 3.657 -1.665 12.898 211 HZ PHE 29 HZ PHE 29 4.694 -3.572 11.736 212 H TYR 30 H TYR 30 1.914 0.480 5.945 213 HA TYR 30 HA TYR 30 0.535 3.059 5.508 214 HB2 TYR 30 HB2 TYR 30 1.434 0.909 3.576 215 HB3 TYR 30 HB3 TYR 30 0.323 2.191 3.113 216 HD1 TYR 30 HD1 TYR 30 3.740 1.640 4.516 217 HD2 TYR 30 HD2 TYR 30 1.154 4.235 2.342 218 HE1 TYR 30 HE1 TYR 30 5.647 3.096 3.984 219 HE2 TYR 30 HE2 TYR 30 3.060 5.695 1.808 220 HH TYR 30 HH TYR 30 5.272 6.219 2.621 221 H GLU 31 H GLU 31 -1.672 3.108 5.498 222 HA GLU 31 HA GLU 31 -3.115 0.555 5.793 223 HB2 GLU 31 HB2 GLU 31 -4.158 3.376 6.165 224 HB3 GLU 31 HB3 GLU 31 -4.998 1.888 6.581 225 HG2 GLU 31 HG2 GLU 31 -3.232 1.418 8.259 226 HG3 GLU 31 HG3 GLU 31 -2.510 2.984 7.885 227 H PHE 32 H PHE 32 -4.053 -0.305 4.020 228 HA PHE 32 HA PHE 32 -5.552 1.416 2.215 229 HB2 PHE 32 HB2 PHE 32 -4.476 0.471 0.177 230 HB3 PHE 32 HB3 PHE 32 -3.385 1.459 1.139 231 HD1 PHE 32 HD1 PHE 32 -1.700 0.305 2.630 232 HD2 PHE 32 HD2 PHE 32 -3.954 -1.770 -0.332 233 HE1 PHE 32 HE1 PHE 32 -0.062 -1.528 2.671 234 HE2 PHE 32 HE2 PHE 32 -2.321 -3.607 -0.287 235 HZ PHE 32 HZ PHE 32 -0.370 -3.489 1.211 236 H LYS 33 H LYS 33 -7.210 0.372 1.107 237 HA LYS 33 HA LYS 33 -7.831 -2.322 2.116 238 HB2 LYS 33 HB2 LYS 33 -9.487 -0.477 2.408 239 HB3 LYS 33 HB3 LYS 33 -9.625 -0.367 0.659 240 HG2 LYS 33 HG2 LYS 33 -10.310 -2.828 0.721 241 HG3 LYS 33 HG3 LYS 33 -10.488 -2.611 2.462 242 HD2 LYS 33 HD2 LYS 33 -11.936 -1.018 0.335 243 HD3 LYS 33 HD3 LYS 33 -12.623 -2.355 1.253 244 HE2 LYS 33 HE2 LYS 33 -13.416 -0.392 2.292 245 HE3 LYS 33 HE3 LYS 33 -12.132 -0.990 3.341 246 HZ1 LYS 33 HZ1 LYS 33 -11.685 1.101 1.290 247 HZ2 LYS 33 HZ2 LYS 33 -10.670 0.666 2.567 248 HZ3 LYS 33 HZ3 LYS 33 -12.126 1.457 2.883 249 H GLN 34 H GLN 34 -7.193 -3.955 0.828 250 HA GLN 34 HA GLN 34 -6.647 -3.790 -1.923 251 HB2 GLN 34 HB2 GLN 34 -7.321 -6.205 -0.224 252 HB3 GLN 34 HB3 GLN 34 -6.702 -6.292 -1.869 253 HG2 GLN 34 HG2 GLN 34 -4.658 -5.138 -1.152 254 HG3 GLN 34 HG3 GLN 34 -5.275 -5.087 0.499 255 HE21 GLN 34 HE21 GLN 34 -5.347 -6.994 1.699 256 HE22 GLN 34 HE22 GLN 34 -4.476 -8.408 1.230 257 H LEU 35 H LEU 35 -7.734 -5.022 -3.662 258 HA LEU 35 HA LEU 35 -10.217 -4.033 -4.270 259 HB2 LEU 35 HB2 LEU 35 -9.048 -6.637 -5.259 260 HB3 LEU 35 HB3 LEU 35 -10.334 -5.732 -6.040 261 HG LEU 35 HG LEU 35 -7.488 -4.768 -5.675 262 HD11 LEU 35 HD11 LEU 35 -7.303 -5.057 -8.101 263 HD12 LEU 35 HD12 LEU 35 -8.921 -5.759 -8.141 264 HD13 LEU 35 HD13 LEU 35 -7.622 -6.587 -7.283 265 HD21 LEU 35 HD21 LEU 35 -9.799 -3.523 -7.175 266 HD22 LEU 35 HD22 LEU 35 -8.138 -2.929 -7.150 267 HD23 LEU 35 HD23 LEU 35 -9.096 -2.925 -5.671 268 H ASP 36 H ASP 36 -9.531 -7.122 -2.686 269 HA ASP 36 HA ASP 36 -12.209 -8.104 -2.782 270 HB2 ASP 36 HB2 ASP 36 -9.913 -8.928 -0.987 271 HB3 ASP 36 HB3 ASP 36 -11.379 -9.860 -1.282 272 H GLY 37 H GLY 37 -11.363 -5.444 -1.230 273 HA2 GLY 37 HA2 GLY 37 -12.339 -4.260 0.493 274 HA3 GLY 37 HA3 GLY 37 -13.430 -5.615 0.743 275 H LYS 38 H LYS 38 -9.886 -5.371 0.941 276 HA LYS 38 HA LYS 38 -10.040 -6.278 3.753 277 HB2 LYS 38 HB2 LYS 38 -7.941 -7.094 1.725 278 HB3 LYS 38 HB3 LYS 38 -8.049 -7.642 3.394 279 HG2 LYS 38 HG2 LYS 38 -10.162 -8.768 2.894 280 HG3 LYS 38 HG3 LYS 38 -10.067 -8.209 1.222 281 HD2 LYS 38 HD2 LYS 38 -9.305 -10.510 1.364 282 HD3 LYS 38 HD3 LYS 38 -7.948 -9.459 0.953 283 HE2 LYS 38 HE2 LYS 38 -7.253 -9.469 3.322 284 HE3 LYS 38 HE3 LYS 38 -8.588 -10.561 3.693 285 HZ1 LYS 38 HZ1 LYS 38 -6.303 -11.139 1.889 286 HZ2 LYS 38 HZ2 LYS 38 -7.595 -12.190 2.186 287 HZ3 LYS 38 HZ3 LYS 38 -6.539 -11.774 3.437 288 H GLN 39 H GLN 39 -9.500 -4.456 4.883 289 HA GLN 39 HA GLN 39 -7.497 -2.606 3.959 290 HB2 GLN 39 HB2 GLN 39 -9.413 -1.881 5.362 291 HB3 GLN 39 HB3 GLN 39 -8.773 -2.827 6.699 292 HG2 GLN 39 HG2 GLN 39 -6.736 -1.425 6.685 293 HG3 GLN 39 HG3 GLN 39 -7.444 -0.447 5.399 294 HE21 GLN 39 HE21 GLN 39 -7.429 1.425 6.650 295 HE22 GLN 39 HE22 GLN 39 -8.497 1.654 7.985 296 H THR 40 H THR 40 -5.484 -3.430 3.807 297 HA THR 40 HA THR 40 -4.372 -4.844 6.157 298 HB THR 40 HB THR 40 -4.467 -6.279 4.165 299 HG1 THR 40 HG1 THR 40 -2.734 -7.029 5.109 300 HG21 THR 40 HG21 THR 40 -2.618 -4.237 2.910 301 HG22 THR 40 HG22 THR 40 -4.281 -4.561 2.426 302 HG23 THR 40 HG23 THR 40 -3.046 -5.802 2.221 303 H ARG 41 H ARG 41 -1.943 -4.628 6.346 304 HA ARG 41 HA ARG 41 -1.088 -1.877 5.703 305 HB2 ARG 41 HB2 ARG 41 -0.760 -3.257 8.378 306 HB3 ARG 41 HB3 ARG 41 -0.130 -1.667 7.967 307 HG2 ARG 41 HG2 ARG 41 -2.378 -0.798 7.725 308 HG3 ARG 41 HG3 ARG 41 -3.057 -2.402 8.008 309 HD2 ARG 41 HD2 ARG 41 -1.455 -0.765 9.980 310 HD3 ARG 41 HD3 ARG 41 -3.198 -1.032 10.021 311 HE ARG 41 HE ARG 41 -1.299 -3.276 10.256 312 HH11 ARG 41 HH11 ARG 41 -3.984 -1.483 11.479 313 HH12 ARG 41 HH12 ARG 41 -4.272 -2.603 12.763 314 HH21 ARG 41 HH21 ARG 41 -1.699 -4.698 11.912 315 HH22 ARG 41 HH22 ARG 41 -3.011 -4.391 13.000 316 H ILE 42 H ILE 42 1.078 -1.579 5.289 317 HA ILE 42 HA ILE 42 2.922 -3.831 5.676 318 HB ILE 42 HB ILE 42 2.052 -3.909 3.333 319 HG12 ILE 42 HG12 ILE 42 5.005 -3.250 3.500 320 HG13 ILE 42 HG13 ILE 42 4.303 -4.787 3.999 321 HG21 ILE 42 HG21 ILE 42 1.753 -1.526 2.940 322 HG22 ILE 42 HG22 ILE 42 2.816 -2.218 1.715 323 HG23 ILE 42 HG23 ILE 42 3.494 -1.271 3.039 324 HD11 ILE 42 HD11 ILE 42 4.284 -3.629 1.225 325 HD12 ILE 42 HD12 ILE 42 3.531 -5.152 1.702 326 HD13 ILE 42 HD13 ILE 42 5.281 -4.962 1.804 327 H ASN 43 H ASN 43 5.184 -3.205 5.755 328 HA ASN 43 HA ASN 43 5.413 -0.716 7.185 329 HB2 ASN 43 HB2 ASN 43 6.467 -2.891 7.905 330 HB3 ASN 43 HB3 ASN 43 7.623 -2.692 6.591 331 HD21 ASN 43 HD21 ASN 43 9.345 -2.576 8.030 332 HD22 ASN 43 HD22 ASN 43 9.631 -1.182 9.009 333 H LYS 44 H LYS 44 7.023 0.884 6.864 334 HA LYS 44 HA LYS 44 6.973 2.029 4.331 335 HB2 LYS 44 HB2 LYS 44 8.521 3.701 5.248 336 HB3 LYS 44 HB3 LYS 44 7.228 3.320 6.380 337 HG2 LYS 44 HG2 LYS 44 8.767 1.813 7.596 338 HG3 LYS 44 HG3 LYS 44 10.062 2.283 6.491 339 HD2 LYS 44 HD2 LYS 44 9.787 4.636 7.226 340 HD3 LYS 44 HD3 LYS 44 8.563 4.106 8.383 341 HE2 LYS 44 HE2 LYS 44 11.460 3.249 8.338 342 HE3 LYS 44 HE3 LYS 44 10.729 4.384 9.471 343 HZ1 LYS 44 HZ1 LYS 44 9.303 2.588 10.264 344 HZ2 LYS 44 HZ2 LYS 44 10.938 2.220 10.461 345 HZ3 LYS 44 HZ3 LYS 44 10.063 1.503 9.210 346 H ASP 45 H ASP 45 9.339 -0.206 5.609 347 HA ASP 45 HA ASP 45 11.382 0.555 3.715 348 HB2 ASP 45 HB2 ASP 45 12.552 -1.518 4.604 349 HB3 ASP 45 HB3 ASP 45 12.210 -0.251 5.773 350 H GLN 46 H GLN 46 8.596 -1.314 3.485 351 HA GLN 46 HA GLN 46 9.649 -3.117 1.436 352 HB2 GLN 46 HB2 GLN 46 6.864 -2.886 2.593 353 HB3 GLN 46 HB3 GLN 46 7.414 -4.139 1.489 354 HG2 GLN 46 HG2 GLN 46 8.605 -3.684 4.209 355 HG3 GLN 46 HG3 GLN 46 7.274 -4.793 3.905 356 HE21 GLN 46 HE21 GLN 46 8.447 -6.585 4.553 357 HE22 GLN 46 HE22 GLN 46 9.751 -7.234 3.623 358 H VAL 47 H VAL 47 8.045 -0.073 1.578 359 HA VAL 47 HA VAL 47 6.674 -0.398 -0.958 360 HB VAL 47 HB VAL 47 5.576 0.921 0.755 361 HG11 VAL 47 HG11 VAL 47 7.920 2.814 0.543 362 HG12 VAL 47 HG12 VAL 47 7.517 1.798 1.928 363 HG13 VAL 47 HG13 VAL 47 6.440 3.114 1.456 364 HG21 VAL 47 HG21 VAL 47 6.438 2.633 -1.583 365 HG22 VAL 47 HG22 VAL 47 5.022 2.913 -0.567 366 HG23 VAL 47 HG23 VAL 47 5.111 1.471 -1.579 367 H ARG 48 H ARG 48 7.628 -0.154 -2.864 368 HA ARG 48 HA ARG 48 10.075 1.370 -3.194 369 HB2 ARG 48 HB2 ARG 48 9.801 -0.688 -4.475 370 HB3 ARG 48 HB3 ARG 48 8.325 -0.076 -5.202 371 HG2 ARG 48 HG2 ARG 48 10.029 0.104 -6.838 372 HG3 ARG 48 HG3 ARG 48 9.711 1.740 -6.263 373 HD2 ARG 48 HD2 ARG 48 11.955 0.010 -5.235 374 HD3 ARG 48 HD3 ARG 48 12.135 1.141 -6.571 375 HE ARG 48 HE ARG 48 11.122 2.634 -4.500 376 HH11 ARG 48 HH11 ARG 48 13.908 0.664 -4.985 377 HH12 ARG 48 HH12 ARG 48 14.894 1.609 -3.925 378 HH21 ARG 48 HH21 ARG 48 12.396 3.825 -3.112 379 HH22 ARG 48 HH22 ARG 48 14.051 3.373 -2.877 380 H THR 49 H THR 49 6.953 1.480 -4.925 381 HA THR 49 HA THR 49 6.859 4.394 -4.702 382 HB THR 49 HB THR 49 6.379 4.653 -7.154 383 HG1 THR 49 HG1 THR 49 7.488 2.772 -8.362 384 HG21 THR 49 HG21 THR 49 8.581 5.262 -6.272 385 HG22 THR 49 HG22 THR 49 8.714 4.591 -7.898 386 HG23 THR 49 HG23 THR 49 9.138 3.602 -6.499 387 H VAL 50 H VAL 50 4.807 5.185 -4.606 388 HA VAL 50 HA VAL 50 2.598 3.260 -4.810 389 HB VAL 50 HB VAL 50 2.565 6.092 -3.727 390 HG11 VAL 50 HG11 VAL 50 0.498 3.891 -3.548 391 HG12 VAL 50 HG12 VAL 50 0.368 5.367 -4.504 392 HG13 VAL 50 HG13 VAL 50 0.400 5.459 -2.744 393 HG21 VAL 50 HG21 VAL 50 3.990 4.650 -2.369 394 HG22 VAL 50 HG22 VAL 50 2.696 3.456 -2.253 395 HG23 VAL 50 HG23 VAL 50 2.503 5.043 -1.505 396 H LYS 51 H LYS 51 1.702 3.110 -6.790 397 HA LYS 51 HA LYS 51 1.542 5.528 -8.484 398 HB2 LYS 51 HB2 LYS 51 1.540 2.600 -9.259 399 HB3 LYS 51 HB3 LYS 51 1.338 3.935 -10.389 400 HG2 LYS 51 HG2 LYS 51 3.576 4.748 -9.851 401 HG3 LYS 51 HG3 LYS 51 3.782 3.434 -8.687 402 HD2 LYS 51 HD2 LYS 51 3.604 1.789 -10.467 403 HD3 LYS 51 HD3 LYS 51 3.276 3.062 -11.646 404 HE2 LYS 51 HE2 LYS 51 5.503 3.992 -11.275 405 HE3 LYS 51 HE3 LYS 51 5.835 2.752 -10.064 406 HZ1 LYS 51 HZ1 LYS 51 6.784 2.234 -12.252 407 HZ2 LYS 51 HZ2 LYS 51 5.230 2.206 -12.918 408 HZ3 LYS 51 HZ3 LYS 51 5.670 1.066 -11.750 409 H ASP 52 H ASP 52 -0.385 6.138 -9.416 410 HA ASP 52 HA ASP 52 -2.809 4.866 -8.370 411 HB2 ASP 52 HB2 ASP 52 -2.406 7.474 -9.853 412 HB3 ASP 52 HB3 ASP 52 -3.957 6.886 -9.262 413 H LEU 53 H LEU 53 -4.599 4.357 -9.761 414 HA LEU 53 HA LEU 53 -3.724 3.374 -12.383 415 HB2 LEU 53 HB2 LEU 53 -6.184 2.752 -10.745 416 HB3 LEU 53 HB3 LEU 53 -5.873 2.089 -12.340 417 HG LEU 53 HG LEU 53 -4.195 1.614 -9.861 418 HD11 LEU 53 HD11 LEU 53 -6.035 -0.212 -11.405 419 HD12 LEU 53 HD12 LEU 53 -6.278 0.395 -9.768 420 HD13 LEU 53 HD13 LEU 53 -4.956 -0.720 -10.105 421 HD21 LEU 53 HD21 LEU 53 -2.928 0.036 -11.242 422 HD22 LEU 53 HD22 LEU 53 -2.795 1.682 -11.863 423 HD23 LEU 53 HD23 LEU 53 -3.859 0.521 -12.660 424 H LEU 54 H LEU 54 -5.186 6.103 -11.215 425 HA LEU 54 HA LEU 54 -6.738 6.513 -13.698 426 HB2 LEU 54 HB2 LEU 54 -7.000 7.951 -11.054 427 HB3 LEU 54 HB3 LEU 54 -7.977 8.247 -12.479 428 HG LEU 54 HG LEU 54 -7.948 5.686 -10.866 429 HD11 LEU 54 HD11 LEU 54 -10.020 7.870 -11.072 430 HD12 LEU 54 HD12 LEU 54 -9.022 7.502 -9.664 431 HD13 LEU 54 HD13 LEU 54 -10.225 6.340 -10.221 432 HD21 LEU 54 HD21 LEU 54 -8.387 5.213 -13.203 433 HD22 LEU 54 HD22 LEU 54 -9.605 6.487 -13.262 434 HD23 LEU 54 HD23 LEU 54 -9.877 5.052 -12.273 435 H GLU 55 H GLU 55 -4.853 7.126 -14.898 436 HA GLU 55 HA GLU 55 -4.467 9.934 -14.968 437 HB2 GLU 55 HB2 GLU 55 -2.016 9.998 -14.534 438 HB3 GLU 55 HB3 GLU 55 -2.983 9.631 -13.114 439 HG2 GLU 55 HG2 GLU 55 -2.423 7.234 -13.393 440 HG3 GLU 55 HG3 GLU 55 -1.386 7.664 -14.753 Start of MODEL 19 1 H1 MET 1 H1 MET 1 -12.698 9.677 0.691 2 H2 MET 1 H2 MET 1 -14.108 9.583 -0.244 3 H3 MET 1 H3 MET 1 -13.342 11.071 -0.020 4 HA MET 1 HA MET 1 -12.945 10.146 -2.224 5 HB2 MET 1 HB2 MET 1 -10.490 10.437 -2.212 6 HB3 MET 1 HB3 MET 1 -11.308 11.681 -1.282 7 HG2 MET 1 HG2 MET 1 -10.728 10.504 0.791 8 HG3 MET 1 HG3 MET 1 -9.897 9.270 -0.153 9 HE1 MET 1 HE1 MET 1 -6.934 11.314 -1.724 10 HE2 MET 1 HE2 MET 1 -8.507 10.970 -2.443 11 HE3 MET 1 HE3 MET 1 -7.654 9.714 -1.543 12 H ALA 2 H ALA 2 -12.477 8.424 -3.507 13 HA ALA 2 HA ALA 2 -11.125 6.083 -2.425 14 HB1 ALA 2 HB1 ALA 2 -12.939 4.529 -2.965 15 HB2 ALA 2 HB2 ALA 2 -13.972 5.884 -3.418 16 HB3 ALA 2 HB3 ALA 2 -13.445 5.700 -1.747 17 H SER 3 H SER 3 -9.555 6.284 -3.983 18 HA SER 3 HA SER 3 -10.397 5.765 -6.765 19 HB2 SER 3 HB2 SER 3 -8.442 7.113 -7.528 20 HB3 SER 3 HB3 SER 3 -9.624 8.073 -6.641 21 HG SER 3 HG SER 3 -7.170 7.033 -5.648 22 HA PRO 4 HA PRO 4 -8.028 2.036 -6.332 23 HB2 PRO 4 HB2 PRO 4 -7.406 1.717 -9.027 24 HB3 PRO 4 HB3 PRO 4 -8.893 1.173 -8.249 25 HG2 PRO 4 HG2 PRO 4 -8.374 3.664 -9.824 26 HG3 PRO 4 HG3 PRO 4 -9.800 2.606 -9.834 27 HD2 PRO 4 HD2 PRO 4 -9.835 4.940 -8.530 28 HD3 PRO 4 HD3 PRO 4 -10.632 3.505 -7.846 29 H THR 5 H THR 5 -6.029 1.992 -5.521 30 HA THR 5 HA THR 5 -3.859 3.456 -6.904 31 HB THR 5 HB THR 5 -4.076 3.144 -3.899 32 HG1 THR 5 HG1 THR 5 -5.752 4.505 -4.547 33 HG21 THR 5 HG21 THR 5 -2.332 4.901 -5.640 34 HG22 THR 5 HG22 THR 5 -1.801 3.501 -4.705 35 HG23 THR 5 HG23 THR 5 -2.383 4.946 -3.878 36 H VAL 6 H VAL 6 -2.105 2.222 -7.388 37 HA VAL 6 HA VAL 6 -1.943 -0.468 -6.185 38 HB VAL 6 HB VAL 6 -2.216 -0.529 -8.591 39 HG11 VAL 6 HG11 VAL 6 -1.299 1.671 -9.150 40 HG12 VAL 6 HG12 VAL 6 -0.571 0.400 -10.133 41 HG13 VAL 6 HG13 VAL 6 0.327 1.092 -8.779 42 HG21 VAL 6 HG21 VAL 6 -0.256 -1.885 -9.195 43 HG22 VAL 6 HG22 VAL 6 -0.845 -2.270 -7.576 44 HG23 VAL 6 HG23 VAL 6 0.598 -1.275 -7.776 45 H ILE 7 H ILE 7 -0.319 -0.942 -4.846 46 HA ILE 7 HA ILE 7 1.999 0.875 -4.694 47 HB ILE 7 HB ILE 7 0.972 -1.102 -2.637 48 HG12 ILE 7 HG12 ILE 7 0.853 1.933 -2.672 49 HG13 ILE 7 HG13 ILE 7 -0.514 0.857 -2.950 50 HG21 ILE 7 HG21 ILE 7 2.596 -0.043 -1.117 51 HG22 ILE 7 HG22 ILE 7 3.210 0.925 -2.458 52 HG23 ILE 7 HG23 ILE 7 3.385 -0.830 -2.482 53 HD11 ILE 7 HD11 ILE 7 -0.544 1.745 -0.698 54 HD12 ILE 7 HD12 ILE 7 1.066 1.094 -0.397 55 HD13 ILE 7 HD13 ILE 7 -0.291 -0.000 -0.669 56 H THR 8 H THR 8 3.714 0.138 -5.814 57 HA THR 8 HA THR 8 4.255 -2.696 -6.152 58 HB THR 8 HB THR 8 6.101 -0.395 -6.855 59 HG1 THR 8 HG1 THR 8 4.049 -1.574 -8.458 60 HG21 THR 8 HG21 THR 8 7.103 -2.644 -6.911 61 HG22 THR 8 HG22 THR 8 6.984 -1.947 -8.526 62 HG23 THR 8 HG23 THR 8 5.831 -3.180 -8.011 63 H LEU 9 H LEU 9 5.719 -3.905 -4.977 64 HA LEU 9 HA LEU 9 6.976 -2.554 -2.684 65 HB2 LEU 9 HB2 LEU 9 6.593 -5.519 -3.119 66 HB3 LEU 9 HB3 LEU 9 7.096 -4.724 -1.630 67 HG LEU 9 HG LEU 9 4.378 -4.461 -2.940 68 HD11 LEU 9 HD11 LEU 9 4.719 -6.648 -1.910 69 HD12 LEU 9 HD12 LEU 9 3.555 -5.686 -0.998 70 HD13 LEU 9 HD13 LEU 9 5.205 -5.870 -0.401 71 HD21 LEU 9 HD21 LEU 9 3.773 -3.229 -0.889 72 HD22 LEU 9 HD22 LEU 9 5.000 -2.393 -1.843 73 HD23 LEU 9 HD23 LEU 9 5.464 -3.269 -0.383 74 H ASN 10 H ASN 10 9.056 -3.634 -1.910 75 HA ASN 10 HA ASN 10 11.110 -2.969 -3.621 76 HB2 ASN 10 HB2 ASN 10 11.329 -3.170 -1.180 77 HB3 ASN 10 HB3 ASN 10 11.218 -4.922 -1.310 78 HD21 ASN 10 HD21 ASN 10 13.184 -2.131 -1.933 79 HD22 ASN 10 HD22 ASN 10 14.672 -2.981 -2.151 80 H ASP 11 H ASP 11 9.844 -6.246 -3.006 81 HA ASP 11 HA ASP 11 11.715 -7.597 -4.663 82 HB2 ASP 11 HB2 ASP 11 10.238 -9.526 -4.400 83 HB3 ASP 11 HB3 ASP 11 10.426 -8.692 -2.858 84 H GLY 12 H GLY 12 8.840 -5.815 -5.362 85 HA2 GLY 12 HA2 GLY 12 8.657 -5.134 -7.740 86 HA3 GLY 12 HA3 GLY 12 8.891 -6.824 -8.146 87 H ARG 13 H ARG 13 7.082 -7.554 -5.786 88 HA ARG 13 HA ARG 13 4.727 -7.963 -7.220 89 HB2 ARG 13 HB2 ARG 13 5.320 -9.263 -5.230 90 HB3 ARG 13 HB3 ARG 13 5.077 -7.846 -4.216 91 HG2 ARG 13 HG2 ARG 13 2.698 -7.818 -4.840 92 HG3 ARG 13 HG3 ARG 13 2.952 -9.254 -5.833 93 HD2 ARG 13 HD2 ARG 13 3.608 -10.524 -3.854 94 HD3 ARG 13 HD3 ARG 13 3.407 -9.086 -2.852 95 HE ARG 13 HE ARG 13 0.986 -9.490 -4.129 96 HH11 ARG 13 HH11 ARG 13 2.999 -11.239 -1.950 97 HH12 ARG 13 HH12 ARG 13 1.669 -12.031 -1.184 98 HH21 ARG 13 HH21 ARG 13 -0.719 -10.519 -3.134 99 HH22 ARG 13 HH22 ARG 13 -0.412 -11.627 -1.844 100 H GLU 14 H GLU 14 2.992 -6.747 -7.681 101 HA GLU 14 HA GLU 14 2.719 -4.115 -6.388 102 HB2 GLU 14 HB2 GLU 14 1.499 -5.160 -8.958 103 HB3 GLU 14 HB3 GLU 14 1.259 -3.545 -8.309 104 HG2 GLU 14 HG2 GLU 14 3.653 -3.090 -8.557 105 HG3 GLU 14 HG3 GLU 14 3.891 -4.709 -9.214 106 H ILE 15 H ILE 15 1.054 -3.696 -5.056 107 HA ILE 15 HA ILE 15 -1.193 -5.617 -4.953 108 HB ILE 15 HB ILE 15 -0.175 -3.820 -2.730 109 HG12 ILE 15 HG12 ILE 15 0.061 -6.828 -3.079 110 HG13 ILE 15 HG13 ILE 15 1.380 -5.672 -3.239 111 HG21 ILE 15 HG21 ILE 15 -1.730 -5.102 -1.301 112 HG22 ILE 15 HG22 ILE 15 -2.335 -5.933 -2.735 113 HG23 ILE 15 HG23 ILE 15 -2.568 -4.194 -2.559 114 HD11 ILE 15 HD11 ILE 15 -0.175 -6.251 -0.726 115 HD12 ILE 15 HD12 ILE 15 1.129 -5.075 -0.879 116 HD13 ILE 15 HD13 ILE 15 1.462 -6.793 -1.099 117 H GLN 16 H GLN 16 -3.105 -4.837 -5.637 118 HA GLN 16 HA GLN 16 -3.381 -1.949 -6.056 119 HB2 GLN 16 HB2 GLN 16 -5.103 -4.216 -7.081 120 HB3 GLN 16 HB3 GLN 16 -5.245 -2.526 -7.543 121 HG2 GLN 16 HG2 GLN 16 -2.939 -2.641 -8.469 122 HG3 GLN 16 HG3 GLN 16 -2.926 -4.366 -8.111 123 HE21 GLN 16 HE21 GLN 16 -4.240 -1.876 -10.138 124 HE22 GLN 16 HE22 GLN 16 -4.918 -2.919 -11.331 125 H ALA 17 H ALA 17 -4.661 -0.699 -4.869 126 HA ALA 17 HA ALA 17 -6.586 -1.945 -3.002 127 HB1 ALA 17 HB1 ALA 17 -6.199 -0.042 -1.527 128 HB2 ALA 17 HB2 ALA 17 -5.089 0.664 -2.705 129 HB3 ALA 17 HB3 ALA 17 -4.681 -0.856 -1.907 130 H VAL 18 H VAL 18 -8.564 -0.794 -2.561 131 HA VAL 18 HA VAL 18 -9.747 0.379 -4.896 132 HB VAL 18 HB VAL 18 -11.805 0.557 -3.563 133 HG11 VAL 18 HG11 VAL 18 -10.395 -2.095 -3.234 134 HG12 VAL 18 HG12 VAL 18 -11.293 -1.559 -4.654 135 HG13 VAL 18 HG13 VAL 18 -12.137 -1.834 -3.131 136 HG21 VAL 18 HG21 VAL 18 -10.118 -0.442 -1.260 137 HG22 VAL 18 HG22 VAL 18 -11.873 -0.247 -1.245 138 HG23 VAL 18 HG23 VAL 18 -10.830 1.166 -1.409 139 H ASP 19 H ASP 19 -8.422 1.643 -1.915 140 HA ASP 19 HA ASP 19 -8.958 4.368 -2.892 141 HB2 ASP 19 HB2 ASP 19 -9.313 5.152 -0.606 142 HB3 ASP 19 HB3 ASP 19 -10.475 3.897 -1.019 143 H THR 20 H THR 20 -7.514 5.977 -1.526 144 HA THR 20 HA THR 20 -4.810 5.244 -2.204 145 HB THR 20 HB THR 20 -4.226 7.550 -1.612 146 HG1 THR 20 HG1 THR 20 -5.518 8.788 -0.435 147 HG21 THR 20 HG21 THR 20 -5.178 7.154 -3.829 148 HG22 THR 20 HG22 THR 20 -5.678 8.729 -3.214 149 HG23 THR 20 HG23 THR 20 -6.805 7.373 -3.184 150 HA PRO 21 HA PRO 21 -3.574 3.768 1.748 151 HB2 PRO 21 HB2 PRO 21 -0.883 4.079 1.596 152 HB3 PRO 21 HB3 PRO 21 -1.764 2.870 0.655 153 HG2 PRO 21 HG2 PRO 21 -0.784 5.579 -0.191 154 HG3 PRO 21 HG3 PRO 21 -0.679 4.032 -1.055 155 HD2 PRO 21 HD2 PRO 21 -2.575 5.886 -1.623 156 HD3 PRO 21 HD3 PRO 21 -2.869 4.143 -1.785 157 H LYS 22 H LYS 22 -3.427 4.509 3.777 158 HA LYS 22 HA LYS 22 -2.768 7.319 4.278 159 HB2 LYS 22 HB2 LYS 22 -4.803 6.415 5.297 160 HB3 LYS 22 HB3 LYS 22 -3.873 5.148 6.085 161 HG2 LYS 22 HG2 LYS 22 -2.629 6.986 7.307 162 HG3 LYS 22 HG3 LYS 22 -3.834 8.105 6.671 163 HD2 LYS 22 HD2 LYS 22 -4.403 5.693 8.408 164 HD3 LYS 22 HD3 LYS 22 -4.381 7.370 8.951 165 HE2 LYS 22 HE2 LYS 22 -6.262 6.233 6.877 166 HE3 LYS 22 HE3 LYS 22 -6.664 6.523 8.566 167 HZ1 LYS 22 HZ1 LYS 22 -7.434 8.314 7.133 168 HZ2 LYS 22 HZ2 LYS 22 -5.854 8.614 6.616 169 HZ3 LYS 22 HZ3 LYS 22 -6.277 8.878 8.229 170 H TYR 23 H TYR 23 -0.829 7.948 5.159 171 HA TYR 23 HA TYR 23 1.079 5.868 5.913 172 HB2 TYR 23 HB2 TYR 23 1.852 7.656 4.432 173 HB3 TYR 23 HB3 TYR 23 1.427 8.863 5.642 174 HD1 TYR 23 HD1 TYR 23 3.474 5.735 5.396 175 HD2 TYR 23 HD2 TYR 23 3.175 9.698 6.932 176 HE1 TYR 23 HE1 TYR 23 5.731 5.534 6.342 177 HE2 TYR 23 HE2 TYR 23 5.431 9.500 7.887 178 HH TYR 23 HH TYR 23 7.027 7.850 8.540 179 H ASP 24 H ASP 24 1.103 5.171 7.952 180 HA ASP 24 HA ASP 24 0.360 6.980 10.142 181 HB2 ASP 24 HB2 ASP 24 -0.762 4.813 10.112 182 HB3 ASP 24 HB3 ASP 24 0.788 3.977 10.089 183 H GLU 25 H GLU 25 2.061 8.185 10.790 184 HA GLU 25 HA GLU 25 4.775 7.416 10.507 185 HB2 GLU 25 HB2 GLU 25 4.010 9.763 10.548 186 HB3 GLU 25 HB3 GLU 25 3.577 9.588 12.244 187 HG2 GLU 25 HG2 GLU 25 5.946 9.140 12.776 188 HG3 GLU 25 HG3 GLU 25 6.354 9.395 11.080 189 H GLU 26 H GLU 26 2.476 7.026 13.112 190 HA GLU 26 HA GLU 26 4.197 6.793 15.304 191 HB2 GLU 26 HB2 GLU 26 1.626 5.240 14.953 192 HB3 GLU 26 HB3 GLU 26 2.376 5.737 16.464 193 HG2 GLU 26 HG2 GLU 26 1.075 7.509 14.407 194 HG3 GLU 26 HG3 GLU 26 0.483 7.137 16.022 195 H SER 27 H SER 27 2.839 4.169 13.291 196 HA SER 27 HA SER 27 4.855 2.324 14.391 197 HB2 SER 27 HB2 SER 27 2.313 1.764 12.842 198 HB3 SER 27 HB3 SER 27 3.446 0.527 13.386 199 HG SER 27 HG SER 27 2.988 1.826 15.539 200 H GLY 28 H GLY 28 4.264 4.181 11.602 201 HA2 GLY 28 HA2 GLY 28 5.751 4.477 9.833 202 HA3 GLY 28 HA3 GLY 28 6.623 3.045 10.348 203 H PHE 29 H PHE 29 3.267 2.525 9.993 204 HA PHE 29 HA PHE 29 3.799 0.942 7.576 205 HB2 PHE 29 HB2 PHE 29 1.481 0.850 9.522 206 HB3 PHE 29 HB3 PHE 29 1.646 -0.188 8.112 207 HD1 PHE 29 HD1 PHE 29 3.985 -1.471 8.013 208 HD2 PHE 29 HD2 PHE 29 2.127 -0.020 11.559 209 HE1 PHE 29 HE1 PHE 29 5.240 -3.115 9.340 210 HE2 PHE 29 HE2 PHE 29 3.387 -1.660 12.892 211 HZ PHE 29 HZ PHE 29 4.943 -3.213 11.784 212 H TYR 30 H TYR 30 2.382 0.949 5.781 213 HA TYR 30 HA TYR 30 0.659 3.312 5.455 214 HB2 TYR 30 HB2 TYR 30 1.760 1.306 3.466 215 HB3 TYR 30 HB3 TYR 30 0.566 2.523 3.035 216 HD1 TYR 30 HD1 TYR 30 4.042 2.065 4.274 217 HD2 TYR 30 HD2 TYR 30 1.226 4.737 2.517 218 HE1 TYR 30 HE1 TYR 30 5.849 3.663 3.804 219 HE2 TYR 30 HE2 TYR 30 3.031 6.338 2.050 220 HH TYR 30 HH TYR 30 5.251 6.887 2.801 221 H GLU 31 H GLU 31 -1.506 3.110 5.577 222 HA GLU 31 HA GLU 31 -2.675 0.423 5.798 223 HB2 GLU 31 HB2 GLU 31 -3.896 3.115 6.473 224 HB3 GLU 31 HB3 GLU 31 -4.584 1.538 6.839 225 HG2 GLU 31 HG2 GLU 31 -2.663 1.065 8.317 226 HG3 GLU 31 HG3 GLU 31 -2.035 2.679 7.980 227 H PHE 32 H PHE 32 -3.708 -0.416 4.078 228 HA PHE 32 HA PHE 32 -5.255 1.338 2.315 229 HB2 PHE 32 HB2 PHE 32 -4.238 0.318 0.281 230 HB3 PHE 32 HB3 PHE 32 -3.108 1.293 1.214 231 HD1 PHE 32 HD1 PHE 32 -1.424 0.146 2.678 232 HD2 PHE 32 HD2 PHE 32 -3.823 -1.967 -0.140 233 HE1 PHE 32 HE1 PHE 32 0.147 -1.743 2.757 234 HE2 PHE 32 HE2 PHE 32 -2.255 -3.856 -0.060 235 HZ PHE 32 HZ PHE 32 -0.264 -3.746 1.385 236 H LYS 33 H LYS 33 -6.971 0.363 1.272 237 HA LYS 33 HA LYS 33 -7.638 -2.357 2.172 238 HB2 LYS 33 HB2 LYS 33 -9.232 -0.430 2.551 239 HB3 LYS 33 HB3 LYS 33 -9.445 -0.344 0.807 240 HG2 LYS 33 HG2 LYS 33 -10.215 -2.730 0.872 241 HG3 LYS 33 HG3 LYS 33 -10.180 -2.628 2.631 242 HD2 LYS 33 HD2 LYS 33 -11.933 -1.087 0.718 243 HD3 LYS 33 HD3 LYS 33 -12.430 -2.251 1.943 244 HE2 LYS 33 HE2 LYS 33 -12.927 -0.316 3.050 245 HE3 LYS 33 HE3 LYS 33 -11.249 -0.500 3.559 246 HZ1 LYS 33 HZ1 LYS 33 -11.593 1.736 2.853 247 HZ2 LYS 33 HZ2 LYS 33 -12.279 1.238 1.388 248 HZ3 LYS 33 HZ3 LYS 33 -10.634 0.984 1.680 249 H GLN 34 H GLN 34 -7.020 -3.921 0.774 250 HA GLN 34 HA GLN 34 -6.353 -3.521 -1.925 251 HB2 GLN 34 HB2 GLN 34 -7.131 -6.086 -0.514 252 HB3 GLN 34 HB3 GLN 34 -6.346 -5.999 -2.087 253 HG2 GLN 34 HG2 GLN 34 -4.389 -4.957 -1.071 254 HG3 GLN 34 HG3 GLN 34 -5.176 -4.992 0.506 255 HE21 GLN 34 HE21 GLN 34 -5.402 -6.978 1.577 256 HE22 GLN 34 HE22 GLN 34 -4.491 -8.371 1.118 257 H LEU 35 H LEU 35 -7.366 -4.503 -3.851 258 HA LEU 35 HA LEU 35 -9.976 -3.632 -4.296 259 HB2 LEU 35 HB2 LEU 35 -8.405 -5.735 -5.788 260 HB3 LEU 35 HB3 LEU 35 -9.910 -5.042 -6.363 261 HG LEU 35 HG LEU 35 -7.310 -3.551 -5.939 262 HD11 LEU 35 HD11 LEU 35 -7.326 -3.310 -8.375 263 HD12 LEU 35 HD12 LEU 35 -8.790 -4.289 -8.468 264 HD13 LEU 35 HD13 LEU 35 -7.283 -5.006 -7.898 265 HD21 LEU 35 HD21 LEU 35 -9.961 -2.541 -6.983 266 HD22 LEU 35 HD22 LEU 35 -8.452 -1.627 -6.922 267 HD23 LEU 35 HD23 LEU 35 -9.239 -2.132 -5.427 268 H ASP 36 H ASP 36 -8.894 -6.690 -3.022 269 HA ASP 36 HA ASP 36 -11.373 -8.084 -3.440 270 HB2 ASP 36 HB2 ASP 36 -9.197 -9.248 -3.336 271 HB3 ASP 36 HB3 ASP 36 -9.018 -8.758 -1.654 272 H GLY 37 H GLY 37 -10.410 -5.725 -1.226 273 HA2 GLY 37 HA2 GLY 37 -11.993 -4.843 0.366 274 HA3 GLY 37 HA3 GLY 37 -12.571 -6.477 0.646 275 H LYS 38 H LYS 38 -9.644 -7.356 0.673 276 HA LYS 38 HA LYS 38 -9.246 -7.364 3.456 277 HB2 LYS 38 HB2 LYS 38 -7.279 -7.893 1.218 278 HB3 LYS 38 HB3 LYS 38 -6.971 -8.241 2.912 279 HG2 LYS 38 HG2 LYS 38 -8.837 -9.841 2.917 280 HG3 LYS 38 HG3 LYS 38 -9.123 -9.496 1.207 281 HD2 LYS 38 HD2 LYS 38 -6.927 -10.343 0.623 282 HD3 LYS 38 HD3 LYS 38 -6.525 -10.569 2.326 283 HE2 LYS 38 HE2 LYS 38 -7.098 -12.698 1.355 284 HE3 LYS 38 HE3 LYS 38 -8.355 -12.227 2.496 285 HZ1 LYS 38 HZ1 LYS 38 -8.519 -11.892 -0.447 286 HZ2 LYS 38 HZ2 LYS 38 -9.740 -11.536 0.663 287 HZ3 LYS 38 HZ3 LYS 38 -9.250 -13.135 0.426 288 H GLN 39 H GLN 39 -8.990 -5.444 4.532 289 HA GLN 39 HA GLN 39 -7.161 -3.421 3.494 290 HB2 GLN 39 HB2 GLN 39 -9.342 -2.813 4.585 291 HB3 GLN 39 HB3 GLN 39 -8.681 -3.384 6.113 292 HG2 GLN 39 HG2 GLN 39 -6.918 -1.695 5.989 293 HG3 GLN 39 HG3 GLN 39 -7.550 -1.143 4.438 294 HE21 GLN 39 HE21 GLN 39 -8.004 0.929 5.133 295 HE22 GLN 39 HE22 GLN 39 -9.269 1.283 6.256 296 H THR 40 H THR 40 -5.045 -3.420 3.960 297 HA THR 40 HA THR 40 -4.125 -4.676 6.459 298 HB THR 40 HB THR 40 -3.855 -6.439 4.857 299 HG1 THR 40 HG1 THR 40 -1.263 -5.276 4.993 300 HG21 THR 40 HG21 THR 40 -3.983 -5.145 2.791 301 HG22 THR 40 HG22 THR 40 -2.546 -6.166 2.790 302 HG23 THR 40 HG23 THR 40 -2.399 -4.439 3.114 303 H ARG 41 H ARG 41 -1.843 -4.227 6.960 304 HA ARG 41 HA ARG 41 -0.992 -1.564 5.991 305 HB2 ARG 41 HB2 ARG 41 -0.223 -2.963 8.566 306 HB3 ARG 41 HB3 ARG 41 0.197 -1.319 8.105 307 HG2 ARG 41 HG2 ARG 41 -2.118 -0.643 8.244 308 HG3 ARG 41 HG3 ARG 41 -2.613 -2.305 8.577 309 HD2 ARG 41 HD2 ARG 41 -0.886 -0.542 10.321 310 HD3 ARG 41 HD3 ARG 41 -2.546 -1.052 10.645 311 HE ARG 41 HE ARG 41 -0.363 -3.025 10.438 312 HH11 ARG 41 HH11 ARG 41 -2.933 -1.589 12.228 313 HH12 ARG 41 HH12 ARG 41 -2.881 -2.788 13.469 314 HH21 ARG 41 HH21 ARG 41 -0.296 -4.547 12.041 315 HH22 ARG 41 HH22 ARG 41 -1.402 -4.444 13.368 316 H ILE 42 H ILE 42 1.280 -1.215 5.617 317 HA ILE 42 HA ILE 42 3.050 -3.534 5.734 318 HB ILE 42 HB ILE 42 1.992 -3.539 3.454 319 HG12 ILE 42 HG12 ILE 42 4.976 -3.034 3.385 320 HG13 ILE 42 HG13 ILE 42 4.255 -4.515 4.004 321 HG21 ILE 42 HG21 ILE 42 1.829 -1.115 3.126 322 HG22 ILE 42 HG22 ILE 42 2.705 -1.885 1.804 323 HG23 ILE 42 HG23 ILE 42 3.588 -1.003 3.051 324 HD11 ILE 42 HD11 ILE 42 5.028 -4.806 1.735 325 HD12 ILE 42 HD12 ILE 42 4.012 -3.470 1.196 326 HD13 ILE 42 HD13 ILE 42 3.273 -4.948 1.811 327 H ASN 43 H ASN 43 5.287 -2.993 5.829 328 HA ASN 43 HA ASN 43 5.684 -0.526 7.207 329 HB2 ASN 43 HB2 ASN 43 6.833 -2.722 7.714 330 HB3 ASN 43 HB3 ASN 43 7.848 -2.433 6.305 331 HD21 ASN 43 HD21 ASN 43 9.723 -2.279 7.506 332 HD22 ASN 43 HD22 ASN 43 10.058 -0.951 8.559 333 H LYS 44 H LYS 44 7.149 1.160 6.738 334 HA LYS 44 HA LYS 44 6.814 2.217 4.158 335 HB2 LYS 44 HB2 LYS 44 8.235 4.077 4.955 336 HB3 LYS 44 HB3 LYS 44 6.957 3.654 6.085 337 HG2 LYS 44 HG2 LYS 44 8.684 2.294 7.343 338 HG3 LYS 44 HG3 LYS 44 9.901 3.051 6.313 339 HD2 LYS 44 HD2 LYS 44 7.949 4.553 8.068 340 HD3 LYS 44 HD3 LYS 44 9.612 4.179 8.512 341 HE2 LYS 44 HE2 LYS 44 8.814 5.812 6.098 342 HE3 LYS 44 HE3 LYS 44 9.282 6.496 7.653 343 HZ1 LYS 44 HZ1 LYS 44 11.159 6.509 6.212 344 HZ2 LYS 44 HZ2 LYS 44 10.977 4.867 5.842 345 HZ3 LYS 44 HZ3 LYS 44 11.438 5.339 7.401 346 H ASP 45 H ASP 45 9.258 0.061 5.227 347 HA ASP 45 HA ASP 45 11.204 0.995 3.266 348 HB2 ASP 45 HB2 ASP 45 12.667 -0.754 4.152 349 HB3 ASP 45 HB3 ASP 45 12.021 0.248 5.443 350 H GLN 46 H GLN 46 8.587 -1.179 3.343 351 HA GLN 46 HA GLN 46 9.590 -3.040 1.366 352 HB2 GLN 46 HB2 GLN 46 6.711 -2.620 2.190 353 HB3 GLN 46 HB3 GLN 46 7.423 -4.058 1.472 354 HG2 GLN 46 HG2 GLN 46 8.150 -3.011 4.192 355 HG3 GLN 46 HG3 GLN 46 6.891 -4.207 3.911 356 HE21 GLN 46 HE21 GLN 46 7.903 -5.793 5.079 357 HE22 GLN 46 HE22 GLN 46 9.345 -6.582 4.546 358 H VAL 47 H VAL 47 7.812 -0.047 1.368 359 HA VAL 47 HA VAL 47 6.507 -0.416 -1.141 360 HB VAL 47 HB VAL 47 5.514 1.060 0.487 361 HG11 VAL 47 HG11 VAL 47 7.546 1.870 1.586 362 HG12 VAL 47 HG12 VAL 47 6.501 3.209 1.110 363 HG13 VAL 47 HG13 VAL 47 7.941 2.835 0.162 364 HG21 VAL 47 HG21 VAL 47 6.465 2.595 -1.937 365 HG22 VAL 47 HG22 VAL 47 5.082 3.025 -0.927 366 HG23 VAL 47 HG23 VAL 47 5.064 1.528 -1.860 367 H ARG 48 H ARG 48 7.502 -0.497 -3.000 368 HA ARG 48 HA ARG 48 9.988 0.859 -3.561 369 HB2 ARG 48 HB2 ARG 48 9.496 -1.383 -4.460 370 HB3 ARG 48 HB3 ARG 48 8.133 -0.732 -5.351 371 HG2 ARG 48 HG2 ARG 48 9.592 0.533 -6.785 372 HG3 ARG 48 HG3 ARG 48 10.999 0.098 -5.808 373 HD2 ARG 48 HD2 ARG 48 10.676 -2.259 -6.386 374 HD3 ARG 48 HD3 ARG 48 9.257 -1.840 -7.341 375 HE ARG 48 HE ARG 48 10.949 -0.451 -8.681 376 HH11 ARG 48 HH11 ARG 48 11.674 -3.449 -7.138 377 HH12 ARG 48 HH12 ARG 48 12.883 -3.880 -8.295 378 HH21 ARG 48 HH21 ARG 48 12.483 -1.038 -10.180 379 HH22 ARG 48 HH22 ARG 48 13.331 -2.534 -9.996 380 H THR 49 H THR 49 6.734 0.960 -5.082 381 HA THR 49 HA THR 49 6.940 3.870 -5.346 382 HB THR 49 HB THR 49 6.206 3.814 -7.737 383 HG1 THR 49 HG1 THR 49 5.443 1.664 -7.856 384 HG21 THR 49 HG21 THR 49 8.550 4.247 -7.219 385 HG22 THR 49 HG22 THR 49 8.407 3.308 -8.706 386 HG23 THR 49 HG23 THR 49 8.884 2.514 -7.204 387 H VAL 50 H VAL 50 5.031 4.787 -4.818 388 HA VAL 50 HA VAL 50 2.574 3.186 -4.875 389 HB VAL 50 HB VAL 50 3.018 5.981 -3.775 390 HG11 VAL 50 HG11 VAL 50 0.643 4.122 -3.527 391 HG12 VAL 50 HG12 VAL 50 0.698 5.639 -4.427 392 HG13 VAL 50 HG13 VAL 50 0.835 5.652 -2.670 393 HG21 VAL 50 HG21 VAL 50 4.270 4.309 -2.512 394 HG22 VAL 50 HG22 VAL 50 2.816 3.327 -2.337 395 HG23 VAL 50 HG23 VAL 50 2.911 4.909 -1.562 396 H LYS 51 H LYS 51 1.305 3.268 -6.621 397 HA LYS 51 HA LYS 51 1.399 5.665 -8.348 398 HB2 LYS 51 HB2 LYS 51 1.117 2.751 -9.071 399 HB3 LYS 51 HB3 LYS 51 0.753 4.049 -10.199 400 HG2 LYS 51 HG2 LYS 51 3.027 4.813 -10.152 401 HG3 LYS 51 HG3 LYS 51 3.433 3.670 -8.869 402 HD2 LYS 51 HD2 LYS 51 3.421 1.856 -10.293 403 HD3 LYS 51 HD3 LYS 51 2.277 2.603 -11.408 404 HE2 LYS 51 HE2 LYS 51 5.154 3.467 -11.082 405 HE3 LYS 51 HE3 LYS 51 4.566 2.375 -12.339 406 HZ1 LYS 51 HZ1 LYS 51 3.022 4.178 -13.016 407 HZ2 LYS 51 HZ2 LYS 51 4.655 4.551 -13.245 408 HZ3 LYS 51 HZ3 LYS 51 3.811 5.215 -11.941 409 H ASP 52 H ASP 52 -0.443 6.710 -8.713 410 HA ASP 52 HA ASP 52 -3.015 5.628 -7.926 411 HB2 ASP 52 HB2 ASP 52 -2.294 8.201 -9.372 412 HB3 ASP 52 HB3 ASP 52 -3.894 7.793 -8.764 413 H LEU 53 H LEU 53 -4.466 4.627 -9.308 414 HA LEU 53 HA LEU 53 -3.628 4.133 -12.033 415 HB2 LEU 53 HB2 LEU 53 -6.127 3.328 -10.539 416 HB3 LEU 53 HB3 LEU 53 -5.776 2.848 -12.191 417 HG LEU 53 HG LEU 53 -4.212 2.089 -9.715 418 HD11 LEU 53 HD11 LEU 53 -4.861 -0.196 -10.319 419 HD12 LEU 53 HD12 LEU 53 -5.828 0.437 -11.652 420 HD13 LEU 53 HD13 LEU 53 -6.257 0.823 -9.988 421 HD21 LEU 53 HD21 LEU 53 -2.659 2.485 -11.548 422 HD22 LEU 53 HD22 LEU 53 -3.614 1.442 -12.605 423 HD23 LEU 53 HD23 LEU 53 -2.786 0.760 -11.203 424 H LEU 54 H LEU 54 -5.105 6.711 -10.616 425 HA LEU 54 HA LEU 54 -6.498 7.461 -13.114 426 HB2 LEU 54 HB2 LEU 54 -7.142 8.379 -10.306 427 HB3 LEU 54 HB3 LEU 54 -7.981 8.868 -11.765 428 HG LEU 54 HG LEU 54 -7.944 6.077 -10.590 429 HD11 LEU 54 HD11 LEU 54 -10.164 8.117 -10.780 430 HD12 LEU 54 HD12 LEU 54 -9.311 7.644 -9.311 431 HD13 LEU 54 HD13 LEU 54 -10.319 6.472 -10.161 432 HD21 LEU 54 HD21 LEU 54 -9.371 7.131 -13.038 433 HD22 LEU 54 HD22 LEU 54 -9.583 5.529 -12.328 434 HD23 LEU 54 HD23 LEU 54 -8.030 5.984 -13.024 435 H GLU 55 H GLU 55 -3.644 7.902 -12.275 436 HA GLU 55 HA GLU 55 -3.471 10.753 -11.796 437 HB2 GLU 55 HB2 GLU 55 -0.997 10.401 -11.916 438 HB3 GLU 55 HB3 GLU 55 -1.822 9.467 -10.684 439 HG2 GLU 55 HG2 GLU 55 -0.394 7.893 -11.496 440 HG3 GLU 55 HG3 GLU 55 -1.795 7.589 -12.515 Start of MODEL 20 1 H1 MET 1 H1 MET 1 -11.091 11.578 -0.655 2 H2 MET 1 H2 MET 1 -12.269 10.608 0.074 3 H3 MET 1 H3 MET 1 -12.721 12.036 -0.713 4 HA MET 1 HA MET 1 -13.253 10.106 -2.047 5 HB2 MET 1 HB2 MET 1 -11.005 11.833 -3.118 6 HB3 MET 1 HB3 MET 1 -11.993 10.776 -4.118 7 HG2 MET 1 HG2 MET 1 -13.990 12.051 -3.479 8 HG3 MET 1 HG3 MET 1 -12.980 13.126 -2.512 9 HE1 MET 1 HE1 MET 1 -13.978 15.383 -5.570 10 HE2 MET 1 HE2 MET 1 -13.937 15.265 -3.812 11 HE3 MET 1 HE3 MET 1 -14.979 14.190 -4.742 12 H ALA 2 H ALA 2 -12.479 8.342 -3.368 13 HA ALA 2 HA ALA 2 -9.898 7.206 -2.488 14 HB1 ALA 2 HB1 ALA 2 -10.946 4.988 -2.391 15 HB2 ALA 2 HB2 ALA 2 -12.510 5.710 -2.770 16 HB3 ALA 2 HB3 ALA 2 -11.696 6.111 -1.257 17 H SER 3 H SER 3 -8.610 6.629 -4.123 18 HA SER 3 HA SER 3 -9.795 6.088 -6.779 19 HB2 SER 3 HB2 SER 3 -7.143 7.440 -6.178 20 HB3 SER 3 HB3 SER 3 -7.744 7.046 -7.788 21 HG SER 3 HG SER 3 -8.468 9.041 -7.614 22 HA PRO 4 HA PRO 4 -7.761 2.122 -6.514 23 HB2 PRO 4 HB2 PRO 4 -7.341 1.659 -9.202 24 HB3 PRO 4 HB3 PRO 4 -8.883 1.399 -8.379 25 HG2 PRO 4 HG2 PRO 4 -7.981 3.740 -10.021 26 HG3 PRO 4 HG3 PRO 4 -9.551 2.915 -10.013 27 HD2 PRO 4 HD2 PRO 4 -9.187 5.254 -8.734 28 HD3 PRO 4 HD3 PRO 4 -10.251 3.993 -8.073 29 H THR 5 H THR 5 -5.724 2.031 -5.760 30 HA THR 5 HA THR 5 -3.556 3.332 -7.310 31 HB THR 5 HB THR 5 -3.739 3.098 -4.287 32 HG1 THR 5 HG1 THR 5 -3.774 5.515 -5.780 33 HG21 THR 5 HG21 THR 5 -1.424 3.033 -5.117 34 HG22 THR 5 HG22 THR 5 -1.760 4.538 -4.260 35 HG23 THR 5 HG23 THR 5 -1.710 4.520 -6.023 36 H VAL 6 H VAL 6 -1.868 2.072 -7.849 37 HA VAL 6 HA VAL 6 -1.702 -0.636 -6.729 38 HB VAL 6 HB VAL 6 -1.779 -0.543 -9.153 39 HG11 VAL 6 HG11 VAL 6 0.749 1.111 -9.023 40 HG12 VAL 6 HG12 VAL 6 -0.847 1.699 -9.486 41 HG13 VAL 6 HG13 VAL 6 -0.024 0.507 -10.489 42 HG21 VAL 6 HG21 VAL 6 0.216 -1.860 -9.678 43 HG22 VAL 6 HG22 VAL 6 -0.455 -2.325 -8.114 44 HG23 VAL 6 HG23 VAL 6 0.984 -1.309 -8.189 45 H ILE 7 H ILE 7 -0.339 -0.997 -5.135 46 HA ILE 7 HA ILE 7 1.951 0.773 -4.679 47 HB ILE 7 HB ILE 7 0.773 -1.400 -2.922 48 HG12 ILE 7 HG12 ILE 7 0.595 1.625 -2.745 49 HG13 ILE 7 HG13 ILE 7 -0.716 0.538 -3.189 50 HG21 ILE 7 HG21 ILE 7 2.213 -0.471 -1.147 51 HG22 ILE 7 HG22 ILE 7 2.951 0.614 -2.327 52 HG23 ILE 7 HG23 ILE 7 3.154 -1.131 -2.486 53 HD11 ILE 7 HD11 ILE 7 -0.948 1.291 -0.904 54 HD12 ILE 7 HD12 ILE 7 0.652 0.663 -0.511 55 HD13 ILE 7 HD13 ILE 7 -0.648 -0.447 -0.948 56 H THR 8 H THR 8 3.684 0.158 -5.878 57 HA THR 8 HA THR 8 4.381 -2.641 -6.264 58 HB THR 8 HB THR 8 6.013 -0.200 -7.023 59 HG1 THR 8 HG1 THR 8 5.067 -0.433 -9.080 60 HG21 THR 8 HG21 THR 8 6.091 -3.046 -8.048 61 HG22 THR 8 HG22 THR 8 7.287 -2.302 -6.985 62 HG23 THR 8 HG23 THR 8 7.081 -1.709 -8.632 63 H LEU 9 H LEU 9 5.564 -3.762 -4.826 64 HA LEU 9 HA LEU 9 7.026 -2.389 -2.721 65 HB2 LEU 9 HB2 LEU 9 6.817 -5.360 -3.232 66 HB3 LEU 9 HB3 LEU 9 7.348 -4.580 -1.748 67 HG LEU 9 HG LEU 9 4.546 -4.494 -2.891 68 HD11 LEU 9 HD11 LEU 9 5.139 -6.670 -1.947 69 HD12 LEU 9 HD12 LEU 9 3.938 -5.841 -0.958 70 HD13 LEU 9 HD13 LEU 9 5.623 -5.890 -0.441 71 HD21 LEU 9 HD21 LEU 9 5.650 -3.303 -0.342 72 HD22 LEU 9 HD22 LEU 9 3.947 -3.362 -0.798 73 HD23 LEU 9 HD23 LEU 9 5.081 -2.411 -1.754 74 H ASN 10 H ASN 10 9.278 -3.272 -2.150 75 HA ASN 10 HA ASN 10 11.069 -2.492 -4.128 76 HB2 ASN 10 HB2 ASN 10 11.622 -2.491 -1.743 77 HB3 ASN 10 HB3 ASN 10 11.616 -4.252 -1.727 78 HD21 ASN 10 HD21 ASN 10 13.335 -5.365 -2.646 79 HD22 ASN 10 HD22 ASN 10 14.811 -4.585 -3.090 80 H ASP 11 H ASP 11 10.014 -5.787 -3.313 81 HA ASP 11 HA ASP 11 11.911 -7.110 -4.994 82 HB2 ASP 11 HB2 ASP 11 10.662 -9.114 -4.540 83 HB3 ASP 11 HB3 ASP 11 10.726 -8.166 -3.057 84 H GLY 12 H GLY 12 8.868 -5.582 -5.584 85 HA2 GLY 12 HA2 GLY 12 8.387 -5.031 -7.943 86 HA3 GLY 12 HA3 GLY 12 8.810 -6.690 -8.336 87 H ARG 13 H ARG 13 7.193 -7.018 -5.526 88 HA ARG 13 HA ARG 13 4.827 -8.018 -6.745 89 HB2 ARG 13 HB2 ARG 13 5.719 -8.930 -4.641 90 HB3 ARG 13 HB3 ARG 13 5.382 -7.405 -3.832 91 HG2 ARG 13 HG2 ARG 13 2.991 -7.713 -4.202 92 HG3 ARG 13 HG3 ARG 13 3.312 -9.223 -5.062 93 HD2 ARG 13 HD2 ARG 13 4.282 -10.173 -3.015 94 HD3 ARG 13 HD3 ARG 13 3.958 -8.662 -2.163 95 HE ARG 13 HE ARG 13 1.518 -9.267 -2.966 96 HH11 ARG 13 HH11 ARG 13 3.921 -11.338 -1.628 97 HH12 ARG 13 HH12 ARG 13 2.766 -12.393 -0.896 98 HH21 ARG 13 HH21 ARG 13 0.039 -10.621 -1.990 99 HH22 ARG 13 HH22 ARG 13 0.601 -12.001 -1.108 100 H GLU 14 H GLU 14 2.988 -6.996 -7.287 101 HA GLU 14 HA GLU 14 2.638 -4.203 -6.414 102 HB2 GLU 14 HB2 GLU 14 1.475 -5.718 -8.770 103 HB3 GLU 14 HB3 GLU 14 1.083 -4.048 -8.371 104 HG2 GLU 14 HG2 GLU 14 3.340 -3.348 -8.777 105 HG3 GLU 14 HG3 GLU 14 3.876 -5.017 -8.961 106 H ILE 15 H ILE 15 1.024 -3.653 -5.083 107 HA ILE 15 HA ILE 15 -1.229 -5.534 -4.704 108 HB ILE 15 HB ILE 15 -0.050 -3.697 -2.601 109 HG12 ILE 15 HG12 ILE 15 0.144 -6.713 -2.853 110 HG13 ILE 15 HG13 ILE 15 1.459 -5.585 -3.154 111 HG21 ILE 15 HG21 ILE 15 -2.206 -5.806 -2.410 112 HG22 ILE 15 HG22 ILE 15 -2.437 -4.061 -2.294 113 HG23 ILE 15 HG23 ILE 15 -1.527 -4.914 -1.048 114 HD11 ILE 15 HD11 ILE 15 1.685 -6.621 -0.982 115 HD12 ILE 15 HD12 ILE 15 0.084 -6.048 -0.515 116 HD13 ILE 15 HD13 ILE 15 1.385 -4.892 -0.805 117 H GLN 16 H GLN 16 -3.063 -4.686 -5.519 118 HA GLN 16 HA GLN 16 -3.279 -1.785 -5.838 119 HB2 GLN 16 HB2 GLN 16 -4.896 -4.057 -7.013 120 HB3 GLN 16 HB3 GLN 16 -5.184 -2.354 -7.354 121 HG2 GLN 16 HG2 GLN 16 -2.966 -2.155 -8.335 122 HG3 GLN 16 HG3 GLN 16 -2.624 -3.838 -7.945 123 HE21 GLN 16 HE21 GLN 16 -5.282 -4.772 -8.667 124 HE22 GLN 16 HE22 GLN 16 -5.348 -4.730 -10.389 125 H ALA 17 H ALA 17 -4.608 -0.536 -4.690 126 HA ALA 17 HA ALA 17 -6.627 -1.811 -2.943 127 HB1 ALA 17 HB1 ALA 17 -5.098 0.743 -2.431 128 HB2 ALA 17 HB2 ALA 17 -4.735 -0.827 -1.713 129 HB3 ALA 17 HB3 ALA 17 -6.259 -0.020 -1.343 130 H VAL 18 H VAL 18 -8.516 -0.449 -2.400 131 HA VAL 18 HA VAL 18 -9.573 0.860 -4.760 132 HB VAL 18 HB VAL 18 -11.687 1.009 -3.535 133 HG11 VAL 18 HG11 VAL 18 -11.168 -1.078 -4.687 134 HG12 VAL 18 HG12 VAL 18 -12.121 -1.381 -3.235 135 HG13 VAL 18 HG13 VAL 18 -10.388 -1.702 -3.230 136 HG21 VAL 18 HG21 VAL 18 -10.831 1.501 -1.300 137 HG22 VAL 18 HG22 VAL 18 -10.163 -0.125 -1.178 138 HG23 VAL 18 HG23 VAL 18 -11.911 0.106 -1.256 139 H ASP 19 H ASP 19 -8.210 1.809 -1.719 140 HA ASP 19 HA ASP 19 -8.760 4.643 -2.339 141 HB2 ASP 19 HB2 ASP 19 -8.698 5.093 0.094 142 HB3 ASP 19 HB3 ASP 19 -9.994 3.986 -0.340 143 H THR 20 H THR 20 -7.115 6.153 -1.366 144 HA THR 20 HA THR 20 -4.483 5.270 -2.176 145 HB THR 20 HB THR 20 -3.761 7.581 -1.757 146 HG1 THR 20 HG1 THR 20 -5.458 7.750 0.063 147 HG21 THR 20 HG21 THR 20 -6.418 7.454 -3.198 148 HG22 THR 20 HG22 THR 20 -4.847 7.068 -3.899 149 HG23 THR 20 HG23 THR 20 -5.203 8.717 -3.385 150 HA PRO 21 HA PRO 21 -3.206 3.631 1.716 151 HB2 PRO 21 HB2 PRO 21 -0.471 4.197 1.436 152 HB3 PRO 21 HB3 PRO 21 -1.297 2.746 0.864 153 HG2 PRO 21 HG2 PRO 21 -0.575 5.232 -0.632 154 HG3 PRO 21 HG3 PRO 21 -0.524 3.542 -1.171 155 HD2 PRO 21 HD2 PRO 21 -2.490 5.162 -1.960 156 HD3 PRO 21 HD3 PRO 21 -2.832 3.468 -1.544 157 H LYS 22 H LYS 22 -3.534 4.559 3.601 158 HA LYS 22 HA LYS 22 -2.737 7.296 4.185 159 HB2 LYS 22 HB2 LYS 22 -4.922 6.478 4.928 160 HB3 LYS 22 HB3 LYS 22 -4.155 5.183 5.834 161 HG2 LYS 22 HG2 LYS 22 -3.056 6.927 7.253 162 HG3 LYS 22 HG3 LYS 22 -4.033 8.138 6.417 163 HD2 LYS 22 HD2 LYS 22 -5.098 5.793 8.011 164 HD3 LYS 22 HD3 LYS 22 -5.049 7.472 8.553 165 HE2 LYS 22 HE2 LYS 22 -6.597 8.122 6.812 166 HE3 LYS 22 HE3 LYS 22 -6.560 6.498 6.125 167 HZ1 LYS 22 HZ1 LYS 22 -7.615 5.645 8.084 168 HZ2 LYS 22 HZ2 LYS 22 -8.539 6.933 7.500 169 HZ3 LYS 22 HZ3 LYS 22 -7.546 7.146 8.852 170 H TYR 23 H TYR 23 -0.915 7.857 5.345 171 HA TYR 23 HA TYR 23 0.947 5.731 5.974 172 HB2 TYR 23 HB2 TYR 23 1.790 7.741 4.877 173 HB3 TYR 23 HB3 TYR 23 1.250 8.735 6.228 174 HD1 TYR 23 HD1 TYR 23 3.444 5.777 5.534 175 HD2 TYR 23 HD2 TYR 23 2.800 9.266 7.896 176 HE1 TYR 23 HE1 TYR 23 5.597 5.410 6.654 177 HE2 TYR 23 HE2 TYR 23 4.959 8.907 9.018 178 HH TYR 23 HH TYR 23 6.465 6.862 9.487 179 H ASP 24 H ASP 24 1.483 4.953 7.889 180 HA ASP 24 HA ASP 24 0.259 6.042 10.313 181 HB2 ASP 24 HB2 ASP 24 -0.158 3.710 10.037 182 HB3 ASP 24 HB3 ASP 24 1.529 3.380 9.654 183 H GLU 25 H GLU 25 1.491 7.599 11.224 184 HA GLU 25 HA GLU 25 4.345 7.689 10.915 185 HB2 GLU 25 HB2 GLU 25 2.961 9.728 11.037 186 HB3 GLU 25 HB3 GLU 25 2.550 9.350 12.703 187 HG2 GLU 25 HG2 GLU 25 4.938 9.541 13.309 188 HG3 GLU 25 HG3 GLU 25 5.304 9.972 11.640 189 H GLU 26 H GLU 26 2.251 6.225 13.211 190 HA GLU 26 HA GLU 26 3.931 6.387 15.499 191 HB2 GLU 26 HB2 GLU 26 1.711 4.442 14.841 192 HB3 GLU 26 HB3 GLU 26 2.466 4.607 16.421 193 HG2 GLU 26 HG2 GLU 26 0.874 6.719 14.968 194 HG3 GLU 26 HG3 GLU 26 0.347 5.778 16.362 195 H SER 27 H SER 27 3.315 3.661 13.245 196 HA SER 27 HA SER 27 5.816 2.428 14.241 197 HB2 SER 27 HB2 SER 27 3.788 1.137 14.812 198 HB3 SER 27 HB3 SER 27 3.386 1.020 13.101 199 HG SER 27 HG SER 27 5.563 0.007 12.911 200 H GLY 28 H GLY 28 4.467 3.875 11.494 201 HA2 GLY 28 HA2 GLY 28 5.791 4.342 9.596 202 HA3 GLY 28 HA3 GLY 28 6.787 2.947 9.962 203 H PHE 29 H PHE 29 3.420 2.289 10.024 204 HA PHE 29 HA PHE 29 3.724 0.672 7.606 205 HB2 PHE 29 HB2 PHE 29 1.487 0.787 9.646 206 HB3 PHE 29 HB3 PHE 29 1.526 -0.305 8.270 207 HD1 PHE 29 HD1 PHE 29 3.976 -1.569 8.147 208 HD2 PHE 29 HD2 PHE 29 1.962 -0.224 11.649 209 HE1 PHE 29 HE1 PHE 29 5.176 -3.253 9.478 210 HE2 PHE 29 HE2 PHE 29 3.162 -1.900 12.987 211 HZ PHE 29 HZ PHE 29 4.772 -3.418 11.902 212 H TYR 30 H TYR 30 1.777 0.493 6.136 213 HA TYR 30 HA TYR 30 0.385 3.078 5.768 214 HB2 TYR 30 HB2 TYR 30 1.374 1.075 3.736 215 HB3 TYR 30 HB3 TYR 30 0.111 2.234 3.340 216 HD1 TYR 30 HD1 TYR 30 0.615 4.648 3.259 217 HD2 TYR 30 HD2 TYR 30 3.683 1.769 3.941 218 HE1 TYR 30 HE1 TYR 30 2.318 6.331 2.696 219 HE2 TYR 30 HE2 TYR 30 5.383 3.448 3.380 220 HH TYR 30 HH TYR 30 4.686 6.763 3.118 221 H GLU 31 H GLU 31 -1.800 3.048 5.857 222 HA GLU 31 HA GLU 31 -3.192 0.462 5.988 223 HB2 GLU 31 HB2 GLU 31 -4.172 3.250 6.666 224 HB3 GLU 31 HB3 GLU 31 -5.113 1.775 6.841 225 HG2 GLU 31 HG2 GLU 31 -3.361 0.963 8.448 226 HG3 GLU 31 HG3 GLU 31 -2.652 2.578 8.377 227 H PHE 32 H PHE 32 -4.164 -0.266 4.211 228 HA PHE 32 HA PHE 32 -5.666 1.536 2.488 229 HB2 PHE 32 HB2 PHE 32 -4.583 0.653 0.419 230 HB3 PHE 32 HB3 PHE 32 -3.496 1.614 1.415 231 HD1 PHE 32 HD1 PHE 32 -1.803 0.435 2.865 232 HD2 PHE 32 HD2 PHE 32 -4.080 -1.595 -0.113 233 HE1 PHE 32 HE1 PHE 32 -0.191 -1.424 2.895 234 HE2 PHE 32 HE2 PHE 32 -2.471 -3.451 -0.080 235 HZ PHE 32 HZ PHE 32 -0.524 -3.370 1.420 236 H LYS 33 H LYS 33 -7.415 0.544 1.510 237 HA LYS 33 HA LYS 33 -7.903 -2.243 2.279 238 HB2 LYS 33 HB2 LYS 33 -9.648 -0.568 2.746 239 HB3 LYS 33 HB3 LYS 33 -9.758 -0.202 1.029 240 HG2 LYS 33 HG2 LYS 33 -10.478 -2.537 0.614 241 HG3 LYS 33 HG3 LYS 33 -10.451 -2.825 2.355 242 HD2 LYS 33 HD2 LYS 33 -12.173 -0.782 0.933 243 HD3 LYS 33 HD3 LYS 33 -12.721 -2.353 1.523 244 HE2 LYS 33 HE2 LYS 33 -12.167 -1.681 3.817 245 HE3 LYS 33 HE3 LYS 33 -11.615 -0.111 3.226 246 HZ1 LYS 33 HZ1 LYS 33 -14.382 -1.172 2.987 247 HZ2 LYS 33 HZ2 LYS 33 -13.852 0.342 2.453 248 HZ3 LYS 33 HZ3 LYS 33 -13.869 -0.011 4.104 249 H GLN 34 H GLN 34 -7.162 -3.728 0.899 250 HA GLN 34 HA GLN 34 -6.501 -3.269 -1.799 251 HB2 GLN 34 HB2 GLN 34 -7.072 -5.906 -0.422 252 HB3 GLN 34 HB3 GLN 34 -6.208 -5.705 -1.941 253 HG2 GLN 34 HG2 GLN 34 -4.394 -4.593 -0.849 254 HG3 GLN 34 HG3 GLN 34 -5.284 -4.516 0.669 255 HE21 GLN 34 HE21 GLN 34 -5.570 -6.423 1.862 256 HE22 GLN 34 HE22 GLN 34 -4.558 -7.801 1.619 257 H LEU 35 H LEU 35 -7.439 -4.359 -3.711 258 HA LEU 35 HA LEU 35 -10.091 -3.626 -4.140 259 HB2 LEU 35 HB2 LEU 35 -8.491 -5.702 -5.643 260 HB3 LEU 35 HB3 LEU 35 -9.965 -4.948 -6.220 261 HG LEU 35 HG LEU 35 -7.321 -3.565 -5.728 262 HD11 LEU 35 HD11 LEU 35 -7.324 -4.922 -7.738 263 HD12 LEU 35 HD12 LEU 35 -7.333 -3.208 -8.151 264 HD13 LEU 35 HD13 LEU 35 -8.817 -4.155 -8.280 265 HD21 LEU 35 HD21 LEU 35 -8.381 -1.566 -6.661 266 HD22 LEU 35 HD22 LEU 35 -9.168 -2.074 -5.168 267 HD23 LEU 35 HD23 LEU 35 -9.927 -2.410 -6.724 268 H ASP 36 H ASP 36 -8.847 -6.659 -2.906 269 HA ASP 36 HA ASP 36 -11.250 -8.177 -3.293 270 HB2 ASP 36 HB2 ASP 36 -9.038 -8.746 -1.315 271 HB3 ASP 36 HB3 ASP 36 -10.156 -9.900 -2.040 272 H GLY 37 H GLY 37 -10.438 -5.745 -1.094 273 HA2 GLY 37 HA2 GLY 37 -12.172 -4.882 0.355 274 HA3 GLY 37 HA3 GLY 37 -12.664 -6.535 0.683 275 H LYS 38 H LYS 38 -9.643 -7.168 0.927 276 HA LYS 38 HA LYS 38 -9.573 -6.897 3.786 277 HB2 LYS 38 HB2 LYS 38 -7.574 -8.002 1.804 278 HB3 LYS 38 HB3 LYS 38 -7.306 -8.001 3.541 279 HG2 LYS 38 HG2 LYS 38 -9.229 -9.435 3.881 280 HG3 LYS 38 HG3 LYS 38 -9.615 -9.365 2.161 281 HD2 LYS 38 HD2 LYS 38 -8.470 -11.459 2.768 282 HD3 LYS 38 HD3 LYS 38 -7.533 -10.507 1.619 283 HE2 LYS 38 HE2 LYS 38 -6.080 -11.426 3.335 284 HE3 LYS 38 HE3 LYS 38 -6.137 -9.669 3.462 285 HZ1 LYS 38 HZ1 LYS 38 -6.282 -10.808 5.619 286 HZ2 LYS 38 HZ2 LYS 38 -7.731 -11.529 5.138 287 HZ3 LYS 38 HZ3 LYS 38 -7.637 -9.849 5.311 288 H GLN 39 H GLN 39 -9.172 -4.899 4.627 289 HA GLN 39 HA GLN 39 -7.030 -3.254 3.556 290 HB2 GLN 39 HB2 GLN 39 -8.959 -2.070 4.377 291 HB3 GLN 39 HB3 GLN 39 -8.860 -2.877 5.936 292 HG2 GLN 39 HG2 GLN 39 -6.937 -1.666 6.564 293 HG3 GLN 39 HG3 GLN 39 -6.652 -1.110 4.916 294 HE21 GLN 39 HE21 GLN 39 -6.996 0.383 7.443 295 HE22 GLN 39 HE22 GLN 39 -8.276 1.502 7.132 296 H THR 40 H THR 40 -4.972 -3.433 4.136 297 HA THR 40 HA THR 40 -4.284 -4.623 6.745 298 HB THR 40 HB THR 40 -4.129 -6.443 5.103 299 HG1 THR 40 HG1 THR 40 -1.617 -6.605 5.342 300 HG21 THR 40 HG21 THR 40 -3.718 -5.080 3.088 301 HG22 THR 40 HG22 THR 40 -2.525 -6.367 3.262 302 HG23 THR 40 HG23 THR 40 -2.097 -4.708 3.679 303 H ARG 41 H ARG 41 -1.940 -4.322 7.271 304 HA ARG 41 HA ARG 41 -1.009 -1.702 6.276 305 HB2 ARG 41 HB2 ARG 41 -0.406 -3.012 8.940 306 HB3 ARG 41 HB3 ARG 41 0.116 -1.414 8.431 307 HG2 ARG 41 HG2 ARG 41 -2.251 -0.705 8.338 308 HG3 ARG 41 HG3 ARG 41 -2.722 -2.298 8.937 309 HD2 ARG 41 HD2 ARG 41 -1.023 -0.247 10.368 310 HD3 ARG 41 HD3 ARG 41 -2.665 -0.742 10.783 311 HE ARG 41 HE ARG 41 -1.138 -3.041 10.853 312 HH11 ARG 41 HH11 ARG 41 -1.143 -0.003 12.503 313 HH12 ARG 41 HH12 ARG 41 -0.462 -0.672 13.942 314 HH21 ARG 41 HH21 ARG 41 -0.266 -3.873 12.716 315 HH22 ARG 41 HH22 ARG 41 0.013 -2.824 14.066 316 H ILE 42 H ILE 42 1.030 -1.485 5.484 317 HA ILE 42 HA ILE 42 2.962 -3.667 5.922 318 HB ILE 42 HB ILE 42 1.969 -3.885 3.640 319 HG12 ILE 42 HG12 ILE 42 4.904 -3.118 3.622 320 HG13 ILE 42 HG13 ILE 42 4.279 -4.663 4.189 321 HG21 ILE 42 HG21 ILE 42 1.583 -1.502 3.192 322 HG22 ILE 42 HG22 ILE 42 2.528 -2.256 1.908 323 HG23 ILE 42 HG23 ILE 42 3.324 -1.236 3.106 324 HD11 ILE 42 HD11 ILE 42 3.457 -5.166 1.961 325 HD12 ILE 42 HD12 ILE 42 5.182 -4.809 1.934 326 HD13 ILE 42 HD13 ILE 42 4.026 -3.598 1.384 327 H ASN 43 H ASN 43 5.153 -3.036 6.006 328 HA ASN 43 HA ASN 43 5.544 -0.484 7.177 329 HB2 ASN 43 HB2 ASN 43 6.755 -2.678 7.673 330 HB3 ASN 43 HB3 ASN 43 7.741 -2.334 6.259 331 HD21 ASN 43 HD21 ASN 43 8.462 -2.555 9.072 332 HD22 ASN 43 HD22 ASN 43 9.246 -1.070 9.471 333 H LYS 44 H LYS 44 6.765 1.270 6.522 334 HA LYS 44 HA LYS 44 6.438 2.086 3.851 335 HB2 LYS 44 HB2 LYS 44 7.764 4.079 4.536 336 HB3 LYS 44 HB3 LYS 44 6.435 3.701 5.624 337 HG2 LYS 44 HG2 LYS 44 8.002 2.662 7.193 338 HG3 LYS 44 HG3 LYS 44 9.339 3.021 6.098 339 HD2 LYS 44 HD2 LYS 44 9.001 5.397 6.385 340 HD3 LYS 44 HD3 LYS 44 7.536 5.116 7.328 341 HE2 LYS 44 HE2 LYS 44 9.456 5.680 8.757 342 HE3 LYS 44 HE3 LYS 44 8.842 4.063 9.091 343 HZ1 LYS 44 HZ1 LYS 44 11.264 4.131 9.007 344 HZ2 LYS 44 HZ2 LYS 44 11.209 4.674 7.405 345 HZ3 LYS 44 HZ3 LYS 44 10.636 3.133 7.799 346 H ASP 45 H ASP 45 9.016 0.287 5.264 347 HA ASP 45 HA ASP 45 11.024 1.202 3.389 348 HB2 ASP 45 HB2 ASP 45 12.472 -0.508 4.439 349 HB3 ASP 45 HB3 ASP 45 11.745 0.583 5.610 350 H GLN 46 H GLN 46 8.517 -1.069 3.272 351 HA GLN 46 HA GLN 46 9.804 -2.817 1.321 352 HB2 GLN 46 HB2 GLN 46 6.972 -2.819 2.392 353 HB3 GLN 46 HB3 GLN 46 7.676 -4.062 1.368 354 HG2 GLN 46 HG2 GLN 46 8.751 -3.341 4.079 355 HG3 GLN 46 HG3 GLN 46 7.549 -4.598 3.817 356 HE21 GLN 46 HE21 GLN 46 8.977 -6.135 4.671 357 HE22 GLN 46 HE22 GLN 46 10.322 -6.727 3.764 358 H VAL 47 H VAL 47 7.592 -0.110 1.360 359 HA VAL 47 HA VAL 47 6.519 -0.613 -1.259 360 HB VAL 47 HB VAL 47 5.129 0.579 0.312 361 HG11 VAL 47 HG11 VAL 47 5.659 2.848 1.089 362 HG12 VAL 47 HG12 VAL 47 7.242 2.739 0.319 363 HG13 VAL 47 HG13 VAL 47 6.837 1.665 1.658 364 HG21 VAL 47 HG21 VAL 47 5.990 2.407 -1.941 365 HG22 VAL 47 HG22 VAL 47 4.469 2.513 -1.052 366 HG23 VAL 47 HG23 VAL 47 4.808 1.101 -2.053 367 H ARG 48 H ARG 48 7.604 -0.341 -3.077 368 HA ARG 48 HA ARG 48 9.917 1.389 -3.274 369 HB2 ARG 48 HB2 ARG 48 9.881 -0.804 -4.390 370 HB3 ARG 48 HB3 ARG 48 8.518 -0.291 -5.375 371 HG2 ARG 48 HG2 ARG 48 9.936 1.461 -6.377 372 HG3 ARG 48 HG3 ARG 48 11.299 0.877 -5.424 373 HD2 ARG 48 HD2 ARG 48 11.173 -1.287 -6.541 374 HD3 ARG 48 HD3 ARG 48 9.768 -0.750 -7.461 375 HE ARG 48 HE ARG 48 11.821 1.058 -7.952 376 HH11 ARG 48 HH11 ARG 48 11.162 -2.280 -8.539 377 HH12 ARG 48 HH12 ARG 48 12.119 -2.316 -9.977 378 HH21 ARG 48 HH21 ARG 48 13.044 0.977 -9.771 379 HH22 ARG 48 HH22 ARG 48 13.176 -0.505 -10.657 380 H THR 49 H THR 49 6.930 1.157 -5.255 381 HA THR 49 HA THR 49 6.916 4.105 -5.493 382 HB THR 49 HB THR 49 6.254 3.950 -7.868 383 HG1 THR 49 HG1 THR 49 5.467 1.705 -7.642 384 HG21 THR 49 HG21 THR 49 8.637 4.266 -7.334 385 HG22 THR 49 HG22 THR 49 8.416 3.337 -8.818 386 HG23 THR 49 HG23 THR 49 8.858 2.516 -7.323 387 H VAL 50 H VAL 50 4.973 5.022 -5.195 388 HA VAL 50 HA VAL 50 2.562 3.320 -5.169 389 HB VAL 50 HB VAL 50 2.948 6.120 -4.066 390 HG11 VAL 50 HG11 VAL 50 0.611 4.223 -3.765 391 HG12 VAL 50 HG12 VAL 50 0.628 5.696 -4.735 392 HG13 VAL 50 HG13 VAL 50 0.777 5.794 -2.982 393 HG21 VAL 50 HG21 VAL 50 2.786 3.470 -2.620 394 HG22 VAL 50 HG22 VAL 50 2.869 5.056 -1.853 395 HG23 VAL 50 HG23 VAL 50 4.231 4.463 -2.805 396 H LYS 51 H LYS 51 1.484 3.322 -7.084 397 HA LYS 51 HA LYS 51 1.342 5.854 -8.618 398 HB2 LYS 51 HB2 LYS 51 1.443 3.030 -9.697 399 HB3 LYS 51 HB3 LYS 51 1.223 4.475 -10.671 400 HG2 LYS 51 HG2 LYS 51 3.446 5.257 -10.062 401 HG3 LYS 51 HG3 LYS 51 3.671 3.853 -9.015 402 HD2 LYS 51 HD2 LYS 51 3.232 3.766 -12.009 403 HD3 LYS 51 HD3 LYS 51 4.785 3.561 -11.192 404 HE2 LYS 51 HE2 LYS 51 4.080 1.530 -10.179 405 HE3 LYS 51 HE3 LYS 51 2.401 1.794 -10.646 406 HZ1 LYS 51 HZ1 LYS 51 3.577 0.147 -12.022 407 HZ2 LYS 51 HZ2 LYS 51 4.614 1.361 -12.575 408 HZ3 LYS 51 HZ3 LYS 51 2.961 1.436 -12.923 409 H ASP 52 H ASP 52 -0.629 6.413 -9.543 410 HA ASP 52 HA ASP 52 -2.962 4.933 -8.575 411 HB2 ASP 52 HB2 ASP 52 -2.824 7.600 -10.003 412 HB3 ASP 52 HB3 ASP 52 -4.249 6.898 -9.241 413 H LEU 53 H LEU 53 -4.320 3.784 -9.877 414 HA LEU 53 HA LEU 53 -3.446 3.013 -12.465 415 HB2 LEU 53 HB2 LEU 53 -6.115 2.578 -11.113 416 HB3 LEU 53 HB3 LEU 53 -5.599 1.776 -12.587 417 HG LEU 53 HG LEU 53 -4.321 1.487 -9.860 418 HD11 LEU 53 HD11 LEU 53 -5.910 -0.474 -11.515 419 HD12 LEU 53 HD12 LEU 53 -6.460 0.335 -10.047 420 HD13 LEU 53 HD13 LEU 53 -5.125 -0.813 -9.971 421 HD21 LEU 53 HD21 LEU 53 -2.921 -0.239 -10.917 422 HD22 LEU 53 HD22 LEU 53 -2.624 1.363 -11.590 423 HD23 LEU 53 HD23 LEU 53 -3.590 0.193 -12.491 424 H LEU 54 H LEU 54 -5.420 5.622 -11.417 425 HA LEU 54 HA LEU 54 -6.529 6.078 -14.094 426 HB2 LEU 54 HB2 LEU 54 -6.973 7.560 -11.493 427 HB3 LEU 54 HB3 LEU 54 -7.779 7.925 -13.007 428 HG LEU 54 HG LEU 54 -8.062 5.366 -11.421 429 HD11 LEU 54 HD11 LEU 54 -10.037 7.595 -11.907 430 HD12 LEU 54 HD12 LEU 54 -9.189 7.280 -10.393 431 HD13 LEU 54 HD13 LEU 54 -10.342 6.102 -11.020 432 HD21 LEU 54 HD21 LEU 54 -8.215 4.917 -13.811 433 HD22 LEU 54 HD22 LEU 54 -9.395 6.216 -13.997 434 HD23 LEU 54 HD23 LEU 54 -9.802 4.780 -13.058 435 H GLU 55 H GLU 55 -3.701 6.303 -13.741 436 HA GLU 55 HA GLU 55 -2.720 8.869 -13.355 437 HB2 GLU 55 HB2 GLU 55 -0.818 8.070 -14.917 438 HB3 GLU 55 HB3 GLU 55 -1.093 7.234 -13.399 439 HG2 GLU 55 HG2 GLU 55 -0.684 5.561 -14.999 440 HG3 GLU 55 HG3 GLU 55 -2.416 5.526 -14.690
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