NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
23049 | 2jt1 | 15386 | 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 1H MET 1 -17.143 -9.436 4.274 2 H2 MET 1 2H MET 1 -18.371 -8.551 3.517 3 H3 MET 1 3H MET 1 -17.871 -8.137 5.079 4 HA MET 1 HA MET 1 -15.668 -7.574 4.233 5 HB2 MET 1 2HB MET 1 -16.973 -7.999 1.530 6 HB3 MET 1 1HB MET 1 -15.367 -7.337 1.797 7 HG2 MET 1 2HG MET 1 -16.295 -10.136 2.417 8 HG3 MET 1 1HG MET 1 -15.188 -9.637 1.138 9 HE1 MET 1 3HE MET 1 -12.787 -11.572 3.532 10 HE2 MET 1 1HE MET 1 -13.351 -11.384 1.871 11 HE3 MET 1 2HE MET 1 -14.450 -11.979 3.116 12 H SER 2 H SER 2 -15.262 -5.382 3.909 13 HA SER 2 HA SER 2 -17.350 -3.576 3.007 14 HB2 SER 2 2HB SER 2 -16.443 -3.515 5.901 15 HB3 SER 2 1HB SER 2 -17.425 -2.276 5.124 16 HG SER 2 HG SER 2 -18.643 -4.549 4.652 17 H GLU 3 H GLU 3 -14.143 -4.218 4.062 18 HA GLU 3 HA GLU 3 -12.861 -1.826 4.198 19 HB2 GLU 3 2HB GLU 3 -10.831 -2.977 3.472 20 HB3 GLU 3 1HB GLU 3 -11.762 -3.972 4.577 21 HG2 GLU 3 2HG GLU 3 -11.573 -4.293 1.581 22 HG3 GLU 3 1HG GLU 3 -10.862 -5.340 2.808 23 H SER 4 H SER 4 -13.564 -3.557 1.148 24 HA SER 4 HA SER 4 -13.520 -2.914 -1.036 25 HB2 SER 4 2HB SER 4 -15.546 -1.782 -0.310 26 HB3 SER 4 1HB SER 4 -14.613 -0.370 0.185 27 HG SER 4 HG SER 4 -15.427 0.044 -1.843 28 H ILE 5 H ILE 5 -12.768 0.345 0.225 29 HA ILE 5 HA ILE 5 -10.942 1.012 -1.766 30 HB ILE 5 HB ILE 5 -11.944 2.694 -0.314 31 HG12 ILE 5 2HG1 ILE 5 -9.917 4.072 0.176 32 HG13 ILE 5 1HG1 ILE 5 -8.916 2.659 -0.141 33 HG21 ILE 5 1HG2 ILE 5 -11.959 1.480 1.789 34 HG22 ILE 5 2HG2 ILE 5 -11.168 3.043 1.993 35 HG23 ILE 5 3HG2 ILE 5 -10.199 1.575 1.884 36 HD11 ILE 5 3HD1 ILE 5 -8.984 4.181 -2.043 37 HD12 ILE 5 1HD1 ILE 5 -10.736 3.999 -2.133 38 HD13 ILE 5 2HD1 ILE 5 -9.687 2.615 -2.447 39 H VAL 6 H VAL 6 -10.380 -0.620 1.322 40 HA VAL 6 HA VAL 6 -7.556 -0.614 1.264 41 HB VAL 6 HB VAL 6 -9.382 -2.704 2.484 42 HG11 VAL 6 1HG1 VAL 6 -7.486 -3.148 4.007 43 HG12 VAL 6 2HG1 VAL 6 -6.492 -2.034 3.067 44 HG13 VAL 6 3HG1 VAL 6 -7.102 -3.511 2.324 45 HG21 VAL 6 3HG2 VAL 6 -9.929 -0.468 3.292 46 HG22 VAL 6 1HG2 VAL 6 -8.238 -0.183 3.707 47 HG23 VAL 6 2HG2 VAL 6 -9.164 -1.416 4.566 48 H THR 7 H THR 7 -9.928 -2.952 -0.018 49 HA THR 7 HA THR 7 -8.111 -4.827 -1.070 50 HB THR 7 HB THR 7 -10.863 -4.081 -2.120 51 HG1 THR 7 HG1 THR 7 -11.510 -5.893 -0.849 52 HG21 THR 7 3HG2 THR 7 -9.196 -6.564 -2.611 53 HG22 THR 7 1HG2 THR 7 -9.587 -5.322 -3.802 54 HG23 THR 7 2HG2 THR 7 -10.866 -6.332 -3.130 55 H LYS 8 H LYS 8 -9.529 -1.893 -2.506 56 HA LYS 8 HA LYS 8 -8.326 -1.983 -5.029 57 HB2 LYS 8 2HB LYS 8 -10.034 -0.327 -4.435 58 HB3 LYS 8 1HB LYS 8 -8.933 0.428 -3.292 59 HG2 LYS 8 2HG LYS 8 -7.429 0.994 -5.192 60 HG3 LYS 8 1HG LYS 8 -8.652 0.354 -6.295 61 HD2 LYS 8 2HD LYS 8 -10.261 2.005 -5.489 62 HD3 LYS 8 1HD LYS 8 -9.073 2.624 -4.340 63 HE2 LYS 8 2HE LYS 8 -9.153 4.087 -6.254 64 HE3 LYS 8 1HE LYS 8 -7.610 3.233 -6.251 65 HZ1 LYS 8 3HZ LYS 8 -8.537 1.691 -7.889 66 HZ2 LYS 8 1HZ LYS 8 -8.536 3.282 -8.454 67 HZ3 LYS 8 2HZ LYS 8 -9.975 2.575 -7.920 68 H ILE 9 H ILE 9 -7.104 -0.581 -1.987 69 HA ILE 9 HA ILE 9 -4.616 0.316 -2.845 70 HB ILE 9 HB ILE 9 -5.419 -0.822 -0.159 71 HG12 ILE 9 2HG1 ILE 9 -5.130 2.037 -1.134 72 HG13 ILE 9 1HG1 ILE 9 -6.649 1.197 -0.851 73 HG21 ILE 9 1HG2 ILE 9 -3.426 0.292 0.760 74 HG22 ILE 9 2HG2 ILE 9 -2.917 0.715 -0.875 75 HG23 ILE 9 3HG2 ILE 9 -3.000 -0.977 -0.388 76 HD11 ILE 9 3HD1 ILE 9 -4.596 1.881 1.239 77 HD12 ILE 9 1HD1 ILE 9 -6.119 1.036 1.525 78 HD13 ILE 9 2HD1 ILE 9 -6.128 2.710 0.968 79 H ILE 10 H ILE 10 -5.448 -2.903 -1.523 80 HA ILE 10 HA ILE 10 -2.930 -4.098 -1.724 81 HB ILE 10 HB ILE 10 -5.641 -5.410 -2.072 82 HG12 ILE 10 2HG1 ILE 10 -3.893 -5.092 0.395 83 HG13 ILE 10 1HG1 ILE 10 -5.380 -4.207 0.076 84 HG21 ILE 10 1HG2 ILE 10 -2.957 -6.651 -1.434 85 HG22 ILE 10 2HG2 ILE 10 -3.864 -6.843 -2.934 86 HG23 ILE 10 3HG2 ILE 10 -4.505 -7.500 -1.428 87 HD11 ILE 10 3HD1 ILE 10 -5.140 -7.178 0.495 88 HD12 ILE 10 1HD1 ILE 10 -6.635 -6.305 0.152 89 HD13 ILE 10 2HD1 ILE 10 -5.757 -5.998 1.652 90 H SER 11 H SER 11 -5.556 -3.977 -4.126 91 HA SER 11 HA SER 11 -4.331 -5.383 -6.211 92 HB2 SER 11 2HB SER 11 -6.680 -4.757 -6.322 93 HB3 SER 11 1HB SER 11 -6.262 -3.047 -6.340 94 HG SER 11 HG SER 11 -5.117 -4.613 -8.347 95 H ILE 12 H ILE 12 -4.213 -1.905 -5.473 96 HA ILE 12 HA ILE 12 -2.536 -1.085 -7.564 97 HB ILE 12 HB ILE 12 -2.785 0.037 -4.759 98 HG12 ILE 12 2HG1 ILE 12 -4.059 0.999 -7.340 99 HG13 ILE 12 1HG1 ILE 12 -4.877 -0.030 -6.167 100 HG21 ILE 12 1HG2 ILE 12 -0.699 0.785 -5.759 101 HG22 ILE 12 2HG2 ILE 12 -1.849 2.119 -5.692 102 HG23 ILE 12 3HG2 ILE 12 -1.551 1.289 -7.220 103 HD11 ILE 12 3HD1 ILE 12 -4.660 1.723 -4.482 104 HD12 ILE 12 1HD1 ILE 12 -5.526 2.291 -5.908 105 HD13 ILE 12 2HD1 ILE 12 -3.842 2.754 -5.659 106 H VAL 13 H VAL 13 -1.709 -2.211 -4.285 107 HA VAL 13 HA VAL 13 1.065 -1.914 -4.431 108 HB VAL 13 HB VAL 13 -0.528 -3.996 -2.911 109 HG11 VAL 13 1HG1 VAL 13 2.355 -3.151 -2.551 110 HG12 VAL 13 2HG1 VAL 13 1.795 -4.719 -3.135 111 HG13 VAL 13 3HG1 VAL 13 1.457 -4.226 -1.476 112 HG21 VAL 13 3HG2 VAL 13 -1.099 -1.697 -2.307 113 HG22 VAL 13 1HG2 VAL 13 0.604 -1.332 -2.035 114 HG23 VAL 13 2HG2 VAL 13 -0.227 -2.491 -0.996 115 H GLN 14 H GLN 14 -0.896 -4.814 -5.238 116 HA GLN 14 HA GLN 14 1.263 -6.418 -6.084 117 HB2 GLN 14 2HB GLN 14 -0.895 -7.414 -5.623 118 HB3 GLN 14 1HB GLN 14 -1.654 -6.470 -6.901 119 HG2 GLN 14 2HG GLN 14 -0.345 -7.667 -8.581 120 HG3 GLN 14 1HG GLN 14 0.457 -8.589 -7.312 121 HE21 GLN 14 1HE2 GLN 14 -2.959 -7.799 -7.215 122 HE22 GLN 14 2HE2 GLN 14 -3.518 -9.412 -7.465 123 H GLU 15 H GLU 15 -0.967 -4.399 -8.001 124 HA GLU 15 HA GLU 15 0.159 -5.071 -10.503 125 HB2 GLU 15 2HB GLU 15 -2.148 -4.126 -10.059 126 HB3 GLU 15 1HB GLU 15 -1.388 -2.551 -9.881 127 HG2 GLU 15 2HG GLU 15 -0.618 -2.599 -12.158 128 HG3 GLU 15 1HG GLU 15 -1.179 -4.261 -12.353 129 H ARG 16 H ARG 16 0.916 -2.487 -8.209 130 HA ARG 16 HA ARG 16 2.592 -1.000 -9.938 131 HB2 ARG 16 2HB ARG 16 2.202 -1.105 -6.990 132 HB3 ARG 16 1HB ARG 16 3.702 -0.395 -7.574 133 HG2 ARG 16 2HG ARG 16 0.896 0.496 -8.216 134 HG3 ARG 16 1HG ARG 16 2.098 1.348 -7.245 135 HD2 ARG 16 2HD ARG 16 2.121 0.850 -10.218 136 HD3 ARG 16 1HD ARG 16 2.081 2.396 -9.375 137 HE ARG 16 HE ARG 16 4.439 0.613 -9.282 138 HH11 ARG 16 1HH1 ARG 16 3.036 3.728 -9.594 139 HH12 ARG 16 2HH1 ARG 16 4.542 4.506 -9.902 140 HH21 ARG 16 1HH2 ARG 16 6.378 1.604 -9.663 141 HH22 ARG 16 2HH2 ARG 16 6.421 3.313 -9.950 142 H GLN 17 H GLN 17 3.620 -3.222 -7.293 143 HA GLN 17 HA GLN 17 6.317 -3.300 -8.037 144 HB2 GLN 17 2HB GLN 17 6.499 -5.317 -6.672 145 HB3 GLN 17 1HB GLN 17 5.489 -4.121 -5.873 146 HG2 GLN 17 2HG GLN 17 3.493 -5.374 -6.793 147 HG3 GLN 17 1HG GLN 17 4.621 -6.647 -7.257 148 HE21 GLN 17 1HE2 GLN 17 3.102 -4.999 -4.615 149 HE22 GLN 17 2HE2 GLN 17 3.514 -6.150 -3.400 150 H ASN 18 H ASN 18 3.570 -4.941 -9.374 151 HA ASN 18 HA ASN 18 4.871 -6.863 -10.978 152 HB2 ASN 18 2HB ASN 18 2.404 -6.718 -10.522 153 HB3 ASN 18 1HB ASN 18 2.324 -5.341 -11.613 154 HD21 ASN 18 1HD2 ASN 18 2.677 -8.754 -11.339 155 HD22 ASN 18 2HD2 ASN 18 2.482 -9.112 -13.013 156 H MET 19 H MET 19 4.069 -3.443 -11.539 157 HA MET 19 HA MET 19 5.247 -3.406 -14.188 158 HB2 MET 19 2HB MET 19 4.255 -1.143 -12.437 159 HB3 MET 19 1HB MET 19 4.778 -0.970 -14.107 160 HG2 MET 19 2HG MET 19 2.969 -2.466 -14.818 161 HG3 MET 19 1HG MET 19 2.432 -2.591 -13.143 162 HE1 MET 19 3HE MET 19 -0.371 -0.373 -14.730 163 HE2 MET 19 1HE MET 19 -0.019 -1.811 -13.771 164 HE3 MET 19 2HE MET 19 0.465 -1.740 -15.465 165 H ASP 20 H ASP 20 6.275 -2.635 -10.927 166 HA ASP 20 HA ASP 20 8.660 -1.235 -11.716 167 HB2 ASP 20 2HB ASP 20 7.691 -2.347 -9.082 168 HB3 ASP 20 1HB ASP 20 9.274 -1.598 -9.257 169 H ASP 21 H ASP 21 7.758 -4.476 -11.641 170 HA ASP 21 HA ASP 21 8.814 -6.387 -12.201 171 HB2 ASP 21 2HB ASP 21 11.138 -4.583 -12.905 172 HB3 ASP 21 1HB ASP 21 10.955 -6.264 -13.400 173 H GLY 22 H GLY 22 11.652 -4.608 -10.940 174 HA2 GLY 22 2HA GLY 22 12.090 -6.871 -9.084 175 HA3 GLY 22 1HA GLY 22 13.347 -5.812 -9.700 176 H ALA 23 H ALA 23 11.133 -3.620 -9.083 177 HA ALA 23 HA ALA 23 12.131 -3.167 -6.355 178 HB1 ALA 23 3HB ALA 23 12.677 -1.446 -7.998 179 HB2 ALA 23 1HB ALA 23 11.623 -0.809 -6.735 180 HB3 ALA 23 2HB ALA 23 10.962 -1.201 -8.324 181 HA PRO 24 HA PRO 24 7.982 -3.680 -4.718 182 HB2 PRO 24 2HB PRO 24 8.341 -2.442 -2.320 183 HB3 PRO 24 1HB PRO 24 8.955 -4.062 -2.675 184 HG2 PRO 24 2HG PRO 24 10.396 -1.440 -2.701 185 HG3 PRO 24 1HG PRO 24 10.937 -3.007 -2.075 186 HD2 PRO 24 2HD PRO 24 11.728 -2.023 -4.481 187 HD3 PRO 24 1HD PRO 24 11.565 -3.760 -4.158 188 H VAL 25 H VAL 25 6.419 -2.122 -3.337 189 HA VAL 25 HA VAL 25 5.916 0.109 -5.145 190 HB VAL 25 HB VAL 25 4.161 -0.822 -2.867 191 HG11 VAL 25 1HG1 VAL 25 3.538 0.694 -5.407 192 HG12 VAL 25 2HG1 VAL 25 3.599 1.373 -3.781 193 HG13 VAL 25 3HG1 VAL 25 2.361 0.187 -4.196 194 HG21 VAL 25 3HG2 VAL 25 4.646 -2.725 -4.310 195 HG22 VAL 25 1HG2 VAL 25 4.184 -1.785 -5.731 196 HG23 VAL 25 2HG2 VAL 25 2.976 -2.199 -4.514 197 H LYS 26 H LYS 26 5.410 2.245 -4.410 198 HA LYS 26 HA LYS 26 7.024 3.027 -2.082 199 HB2 LYS 26 2HB LYS 26 5.978 4.649 -4.420 200 HB3 LYS 26 1HB LYS 26 6.916 5.313 -3.092 201 HG2 LYS 26 2HG LYS 26 8.377 4.995 -4.956 202 HG3 LYS 26 1HG LYS 26 8.793 3.804 -3.726 203 HD2 LYS 26 2HD LYS 26 7.502 2.100 -4.978 204 HD3 LYS 26 1HD LYS 26 7.148 3.304 -6.219 205 HE2 LYS 26 2HE LYS 26 9.498 3.506 -6.752 206 HE3 LYS 26 1HE LYS 26 9.928 2.430 -5.426 207 HZ1 LYS 26 3HZ LYS 26 9.974 1.276 -7.535 208 HZ2 LYS 26 1HZ LYS 26 8.358 1.673 -7.837 209 HZ3 LYS 26 2HZ LYS 26 8.748 0.638 -6.558 210 H THR 27 H THR 27 6.130 3.918 -0.274 211 HA THR 27 HA THR 27 3.483 3.772 0.419 212 HB THR 27 HB THR 27 5.425 5.877 1.417 213 HG1 THR 27 HG1 THR 27 6.335 4.263 2.424 214 HG21 THR 27 3HG2 THR 27 3.119 6.422 2.045 215 HG22 THR 27 1HG2 THR 27 4.041 5.897 3.453 216 HG23 THR 27 2HG2 THR 27 2.899 4.793 2.685 217 H ARG 28 H ARG 28 5.090 6.687 -0.893 218 HA ARG 28 HA ARG 28 2.844 8.353 -1.000 219 HB2 ARG 28 2HB ARG 28 5.386 8.249 -2.592 220 HB3 ARG 28 1HB ARG 28 4.118 9.381 -3.038 221 HG2 ARG 28 2HG ARG 28 4.231 10.323 -0.739 222 HG3 ARG 28 1HG ARG 28 5.616 9.269 -0.425 223 HD2 ARG 28 2HD ARG 28 6.194 11.625 -1.124 224 HD3 ARG 28 1HD ARG 28 6.925 10.352 -2.102 225 HE ARG 28 HE ARG 28 4.555 11.053 -3.356 226 HH11 ARG 28 1HH1 ARG 28 7.493 12.645 -2.519 227 HH12 ARG 28 2HH1 ARG 28 7.455 13.661 -3.919 228 HH21 ARG 28 1HH2 ARG 28 4.528 12.370 -5.133 229 HH22 ARG 28 2HH2 ARG 28 5.800 13.519 -5.362 230 H ASP 29 H ASP 29 4.193 6.303 -3.589 231 HA ASP 29 HA ASP 29 2.478 7.007 -5.626 232 HB2 ASP 29 2HB ASP 29 4.548 5.589 -5.796 233 HB3 ASP 29 1HB ASP 29 3.595 4.227 -5.210 234 H ILE 30 H ILE 30 1.989 4.498 -3.160 235 HA ILE 30 HA ILE 30 -0.444 3.451 -4.085 236 HB ILE 30 HB ILE 30 0.424 3.787 -1.198 237 HG12 ILE 30 2HG1 ILE 30 0.843 1.455 -3.096 238 HG13 ILE 30 1HG1 ILE 30 2.089 2.592 -2.599 239 HG21 ILE 30 1HG2 ILE 30 -1.582 1.897 -2.449 240 HG22 ILE 30 2HG2 ILE 30 -1.950 3.261 -1.393 241 HG23 ILE 30 3HG2 ILE 30 -1.065 1.873 -0.763 242 HD11 ILE 30 3HD1 ILE 30 0.610 0.689 -0.795 243 HD12 ILE 30 1HD1 ILE 30 1.849 1.838 -0.286 244 HD13 ILE 30 2HD1 ILE 30 2.266 0.515 -1.374 245 H ALA 31 H ALA 31 0.212 6.253 -2.001 246 HA ALA 31 HA ALA 31 -2.504 6.950 -1.520 247 HB1 ALA 31 3HB ALA 31 -0.674 7.737 -0.100 248 HB2 ALA 31 1HB ALA 31 -1.606 9.088 -0.743 249 HB3 ALA 31 2HB ALA 31 -0.035 8.691 -1.440 250 H ASP 32 H ASP 32 -0.148 7.938 -3.995 251 HA ASP 32 HA ASP 32 -1.694 9.906 -5.278 252 HB2 ASP 32 2HB ASP 32 0.434 8.040 -6.346 253 HB3 ASP 32 1HB ASP 32 -0.280 9.335 -7.302 254 H ALA 33 H ALA 33 -1.290 6.472 -6.177 255 HA ALA 33 HA ALA 33 -3.144 6.439 -8.275 256 HB1 ALA 33 3HB ALA 33 -2.354 4.141 -6.485 257 HB2 ALA 33 1HB ALA 33 -1.460 4.694 -7.901 258 HB3 ALA 33 2HB ALA 33 -3.078 4.016 -8.089 259 H ALA 34 H ALA 34 -3.616 5.605 -4.837 260 HA ALA 34 HA ALA 34 -6.402 4.980 -5.159 261 HB1 ALA 34 3HB ALA 34 -5.047 3.975 -3.383 262 HB2 ALA 34 1HB ALA 34 -6.447 4.821 -2.726 263 HB3 ALA 34 2HB ALA 34 -4.847 5.559 -2.635 264 H GLY 35 H GLY 35 -4.641 7.921 -4.626 265 HA2 GLY 35 2HA GLY 35 -5.375 10.110 -4.551 266 HA3 GLY 35 1HA GLY 35 -7.018 9.531 -4.774 267 H LEU 36 H LEU 36 -4.645 8.868 -2.208 268 HA LEU 36 HA LEU 36 -6.544 9.990 -0.236 269 HB2 LEU 36 2HB LEU 36 -4.901 7.465 0.063 270 HB3 LEU 36 1HB LEU 36 -5.920 8.166 1.306 271 HG LEU 36 HG LEU 36 -6.897 7.034 -1.326 272 HD11 LEU 36 1HD1 LEU 36 -7.855 5.241 0.036 273 HD12 LEU 36 2HD1 LEU 36 -7.110 5.927 1.479 274 HD13 LEU 36 3HD1 LEU 36 -6.097 5.288 0.183 275 HD21 LEU 36 3HD2 LEU 36 -8.305 8.867 -0.542 276 HD22 LEU 36 1HD2 LEU 36 -8.445 8.099 1.040 277 HD23 LEU 36 2HD2 LEU 36 -9.138 7.322 -0.383 278 H SER 37 H SER 37 -5.355 10.072 2.018 279 HA SER 37 HA SER 37 -2.956 11.689 1.679 280 HB2 SER 37 2HB SER 37 -4.627 12.535 3.217 281 HB3 SER 37 1HB SER 37 -4.608 11.027 4.133 282 HG SER 37 HG SER 37 -2.982 13.185 4.335 283 H ILE 38 H ILE 38 -0.960 11.291 2.690 284 HA ILE 38 HA ILE 38 0.025 8.690 2.484 285 HB ILE 38 HB ILE 38 1.210 10.965 4.097 286 HG12 ILE 38 2HG1 ILE 38 0.836 11.580 1.747 287 HG13 ILE 38 1HG1 ILE 38 2.556 11.428 2.086 288 HG21 ILE 38 1HG2 ILE 38 2.204 8.826 4.711 289 HG22 ILE 38 2HG2 ILE 38 3.358 9.812 3.815 290 HG23 ILE 38 3HG2 ILE 38 2.534 8.472 3.014 291 HD11 ILE 38 3HD1 ILE 38 2.583 9.245 1.017 292 HD12 ILE 38 1HD1 ILE 38 1.962 10.482 -0.076 293 HD13 ILE 38 2HD1 ILE 38 0.850 9.363 0.712 294 H TYR 39 H TYR 39 -0.950 10.464 5.421 295 HA TYR 39 HA TYR 39 -0.134 8.513 7.276 296 HB2 TYR 39 2HB TYR 39 -0.725 10.843 7.880 297 HB3 TYR 39 1HB TYR 39 -2.420 10.480 7.569 298 HD1 TYR 39 HD1 TYR 39 0.464 9.360 9.667 299 HD2 TYR 39 HD2 TYR 39 -3.771 9.702 9.323 300 HE1 TYR 39 HE1 TYR 39 0.216 8.583 11.986 301 HE2 TYR 39 HE2 TYR 39 -4.022 8.929 11.644 302 HH TYR 39 HH TYR 39 -2.752 7.598 13.290 303 H GLN 40 H GLN 40 -3.429 9.090 5.974 304 HA GLN 40 HA GLN 40 -4.754 6.952 7.120 305 HB2 GLN 40 2HB GLN 40 -5.854 8.712 5.775 306 HB3 GLN 40 1HB GLN 40 -5.138 8.043 4.316 307 HG2 GLN 40 2HG GLN 40 -7.394 7.318 4.397 308 HG3 GLN 40 1HG GLN 40 -6.383 5.922 4.771 309 HE21 GLN 40 1HE2 GLN 40 -8.740 8.143 5.969 310 HE22 GLN 40 2HE2 GLN 40 -9.038 7.337 7.469 311 H VAL 41 H VAL 41 -2.985 6.977 4.037 312 HA VAL 41 HA VAL 41 -3.467 4.319 3.294 313 HB VAL 41 HB VAL 41 -1.126 6.108 2.599 314 HG11 VAL 41 1HG1 VAL 41 -0.793 4.616 0.659 315 HG12 VAL 41 2HG1 VAL 41 -2.013 3.519 1.310 316 HG13 VAL 41 3HG1 VAL 41 -0.511 3.793 2.194 317 HG21 VAL 41 3HG2 VAL 41 -3.318 6.993 1.939 318 HG22 VAL 41 1HG2 VAL 41 -3.669 5.491 1.084 319 HG23 VAL 41 2HG2 VAL 41 -2.357 6.533 0.533 320 H ARG 42 H ARG 42 -0.600 5.683 4.988 321 HA ARG 42 HA ARG 42 0.786 3.241 5.190 322 HB2 ARG 42 2HB ARG 42 2.222 4.292 6.803 323 HB3 ARG 42 1HB ARG 42 1.819 5.483 5.574 324 HG2 ARG 42 2HG ARG 42 0.317 6.608 7.034 325 HG3 ARG 42 1HG ARG 42 0.385 5.303 8.218 326 HD2 ARG 42 2HD ARG 42 2.668 7.128 7.448 327 HD3 ARG 42 1HD ARG 42 1.727 7.212 8.939 328 HE ARG 42 HE ARG 42 3.538 5.001 8.205 329 HH11 ARG 42 1HH1 ARG 42 1.970 6.922 10.600 330 HH12 ARG 42 2HH1 ARG 42 2.714 6.077 11.909 331 HH21 ARG 42 1HH2 ARG 42 4.485 3.948 9.896 332 HH22 ARG 42 2HH2 ARG 42 4.114 4.422 11.520 333 H LEU 43 H LEU 43 -1.815 4.562 7.136 334 HA LEU 43 HA LEU 43 -1.602 2.850 9.370 335 HB2 LEU 43 2HB LEU 43 -4.053 4.080 8.093 336 HB3 LEU 43 1HB LEU 43 -4.060 3.251 9.639 337 HG LEU 43 HG LEU 43 -2.561 5.799 9.003 338 HD11 LEU 43 1HD1 LEU 43 -4.943 6.173 9.154 339 HD12 LEU 43 2HD1 LEU 43 -4.146 6.822 10.587 340 HD13 LEU 43 3HD1 LEU 43 -5.016 5.290 10.680 341 HD21 LEU 43 3HD2 LEU 43 -1.340 4.433 10.618 342 HD22 LEU 43 1HD2 LEU 43 -2.792 4.290 11.610 343 HD23 LEU 43 2HD2 LEU 43 -2.025 5.863 11.389 344 H TYR 44 H TYR 44 -3.630 2.531 6.432 345 HA TYR 44 HA TYR 44 -4.549 -0.075 6.933 346 HB2 TYR 44 2HB TYR 44 -4.019 1.258 4.264 347 HB3 TYR 44 1HB TYR 44 -4.929 -0.233 4.473 348 HD1 TYR 44 HD1 TYR 44 -6.813 0.098 6.479 349 HD2 TYR 44 HD2 TYR 44 -5.346 3.104 3.844 350 HE1 TYR 44 HE1 TYR 44 -8.885 1.380 6.796 351 HE2 TYR 44 HE2 TYR 44 -7.416 4.393 4.158 352 HH TYR 44 HH TYR 44 -9.706 4.077 4.833 353 H LEU 45 H LEU 45 -1.689 0.991 5.117 354 HA LEU 45 HA LEU 45 -0.763 -1.514 4.286 355 HB2 LEU 45 2HB LEU 45 0.848 0.952 4.972 356 HB3 LEU 45 1HB LEU 45 1.440 -0.419 4.053 357 HG LEU 45 HG LEU 45 -0.792 1.430 3.185 358 HD11 LEU 45 1HD1 LEU 45 1.369 2.542 3.159 359 HD12 LEU 45 2HD1 LEU 45 0.813 2.230 1.517 360 HD13 LEU 45 3HD1 LEU 45 2.063 1.212 2.232 361 HD21 LEU 45 3HD2 LEU 45 0.565 -0.844 1.726 362 HD22 LEU 45 1HD2 LEU 45 -0.615 0.268 1.028 363 HD23 LEU 45 2HD2 LEU 45 -1.096 -0.831 2.320 364 H GLU 46 H GLU 46 -0.057 0.274 7.286 365 HA GLU 46 HA GLU 46 1.906 -1.538 8.244 366 HB2 GLU 46 2HB GLU 46 1.681 0.815 9.011 367 HB3 GLU 46 1HB GLU 46 0.197 0.379 9.847 368 HG2 GLU 46 2HG GLU 46 1.383 -1.053 11.354 369 HG3 GLU 46 1HG GLU 46 2.876 -0.875 10.430 370 H GLN 47 H GLN 47 -1.596 -1.286 8.838 371 HA GLN 47 HA GLN 47 -1.777 -3.402 10.702 372 HB2 GLN 47 2HB GLN 47 -3.845 -2.426 8.715 373 HB3 GLN 47 1HB GLN 47 -4.174 -3.486 10.080 374 HG2 GLN 47 2HG GLN 47 -3.435 -1.715 11.619 375 HG3 GLN 47 1HG GLN 47 -3.154 -0.653 10.243 376 HE21 GLN 47 1HE2 GLN 47 -4.937 -0.290 12.500 377 HE22 GLN 47 2HE2 GLN 47 -6.520 -0.102 11.839 378 H LEU 48 H LEU 48 -2.319 -3.413 7.159 379 HA LEU 48 HA LEU 48 -2.601 -6.177 6.819 380 HB2 LEU 48 2HB LEU 48 -1.395 -4.140 4.936 381 HB3 LEU 48 1HB LEU 48 -1.836 -5.775 4.478 382 HG LEU 48 HG LEU 48 -3.760 -3.645 5.436 383 HD11 LEU 48 1HD1 LEU 48 -4.583 -3.658 3.130 384 HD12 LEU 48 2HD1 LEU 48 -3.307 -4.789 2.678 385 HD13 LEU 48 3HD1 LEU 48 -2.895 -3.159 3.215 386 HD21 LEU 48 3HD2 LEU 48 -5.514 -5.233 4.801 387 HD22 LEU 48 1HD2 LEU 48 -4.489 -5.886 6.079 388 HD23 LEU 48 2HD2 LEU 48 -4.287 -6.440 4.416 389 H HIS 49 H HIS 49 0.276 -4.210 7.194 390 HA HIS 49 HA HIS 49 2.212 -6.137 6.496 391 HB2 HIS 49 2HB HIS 49 2.880 -3.841 6.676 392 HB3 HIS 49 1HB HIS 49 2.332 -3.746 8.344 393 HD1 HIS 49 HD1 HIS 49 4.111 -4.014 10.052 394 HD2 HIS 49 HD2 HIS 49 5.170 -5.735 6.426 395 HE1 HIS 49 HE1 HIS 49 6.461 -4.822 10.353 396 HE2 HIS 49 HE2 HIS 49 6.965 -6.098 8.245 397 H ASP 50 H ASP 50 0.940 -5.233 9.714 398 HA ASP 50 HA ASP 50 2.594 -7.059 11.112 399 HB2 ASP 50 2HB ASP 50 1.508 -4.970 12.046 400 HB3 ASP 50 1HB ASP 50 0.002 -5.882 12.127 401 H VAL 51 H VAL 51 -0.558 -7.437 9.618 402 HA VAL 51 HA VAL 51 -1.042 -9.997 10.912 403 HB VAL 51 HB VAL 51 -3.057 -10.153 9.555 404 HG11 VAL 51 1HG1 VAL 51 -3.165 -8.841 11.609 405 HG12 VAL 51 2HG1 VAL 51 -4.235 -8.160 10.383 406 HG13 VAL 51 3HG1 VAL 51 -2.683 -7.391 10.727 407 HG21 VAL 51 3HG2 VAL 51 -2.118 -7.613 8.210 408 HG22 VAL 51 1HG2 VAL 51 -3.682 -8.392 7.965 409 HG23 VAL 51 2HG2 VAL 51 -2.201 -9.211 7.469 410 H GLY 52 H GLY 52 0.981 -9.076 8.427 411 HA2 GLY 52 2HA GLY 52 2.479 -10.778 7.625 412 HA3 GLY 52 1HA GLY 52 1.134 -11.899 7.575 413 H VAL 53 H VAL 53 -0.325 -9.404 6.213 414 HA VAL 53 HA VAL 53 -0.196 -10.491 3.610 415 HB VAL 53 HB VAL 53 -1.194 -7.744 4.418 416 HG11 VAL 53 1HG1 VAL 53 -1.805 -9.389 1.953 417 HG12 VAL 53 2HG1 VAL 53 -0.821 -7.926 2.004 418 HG13 VAL 53 3HG1 VAL 53 -2.543 -7.842 2.374 419 HG21 VAL 53 3HG2 VAL 53 -2.699 -10.354 4.160 420 HG22 VAL 53 1HG2 VAL 53 -3.407 -8.779 4.528 421 HG23 VAL 53 2HG2 VAL 53 -2.298 -9.535 5.668 422 H LEU 54 H LEU 54 1.176 -7.450 4.887 423 HA LEU 54 HA LEU 54 2.903 -7.289 2.486 424 HB2 LEU 54 2HB LEU 54 1.916 -5.053 4.271 425 HB3 LEU 54 1HB LEU 54 3.003 -4.854 2.908 426 HG LEU 54 HG LEU 54 0.135 -5.808 2.731 427 HD11 LEU 54 1HD1 LEU 54 1.366 -3.168 1.936 428 HD12 LEU 54 2HD1 LEU 54 0.307 -3.443 3.320 429 HD13 LEU 54 3HD1 LEU 54 -0.311 -3.656 1.684 430 HD21 LEU 54 3HD2 LEU 54 2.140 -5.199 0.552 431 HD22 LEU 54 1HD2 LEU 54 0.436 -5.585 0.308 432 HD23 LEU 54 2HD2 LEU 54 1.523 -6.794 0.987 433 H GLU 55 H GLU 55 5.077 -6.570 2.769 434 HA GLU 55 HA GLU 55 6.114 -6.718 5.525 435 HB2 GLU 55 2HB GLU 55 6.804 -8.700 4.281 436 HB3 GLU 55 1HB GLU 55 7.454 -7.699 2.992 437 HG2 GLU 55 2HG GLU 55 9.255 -8.527 4.350 438 HG3 GLU 55 1HG GLU 55 9.117 -6.785 4.567 439 H LYS 56 H LYS 56 7.803 -5.349 6.084 440 HA LYS 56 HA LYS 56 7.783 -2.799 4.734 441 HB2 LYS 56 2HB LYS 56 9.109 -2.057 6.702 442 HB3 LYS 56 1HB LYS 56 7.613 -2.866 7.155 443 HG2 LYS 56 2HG LYS 56 8.951 -4.966 7.490 444 HG3 LYS 56 1HG LYS 56 10.405 -4.002 7.252 445 HD2 LYS 56 2HD LYS 56 9.720 -2.584 9.172 446 HD3 LYS 56 1HD LYS 56 8.349 -3.665 9.438 447 HE2 LYS 56 2HE LYS 56 11.282 -4.362 9.606 448 HE3 LYS 56 1HE LYS 56 10.133 -4.282 10.939 449 HZ1 LYS 56 3HZ LYS 56 10.610 -6.565 10.193 450 HZ2 LYS 56 1HZ LYS 56 9.955 -6.204 8.675 451 HZ3 LYS 56 2HZ LYS 56 8.972 -6.174 10.052 452 H VAL 57 H VAL 57 8.955 -3.025 2.809 453 HA VAL 57 HA VAL 57 11.719 -3.927 2.913 454 HB VAL 57 HB VAL 57 10.243 -2.668 0.584 455 HG11 VAL 57 1HG1 VAL 57 12.020 -3.703 -0.782 456 HG12 VAL 57 2HG1 VAL 57 12.826 -4.236 0.695 457 HG13 VAL 57 3HG1 VAL 57 12.660 -2.515 0.353 458 HG21 VAL 57 3HG2 VAL 57 10.678 -5.593 1.215 459 HG22 VAL 57 1HG2 VAL 57 9.935 -4.950 -0.249 460 HG23 VAL 57 2HG2 VAL 57 9.142 -4.733 1.312 461 H ASN 58 H ASN 58 12.566 -2.410 4.393 462 HA ASN 58 HA ASN 58 13.374 0.108 3.200 463 HB2 ASN 58 2HB ASN 58 12.535 1.499 5.039 464 HB3 ASN 58 1HB ASN 58 11.210 0.694 4.205 465 HD21 ASN 58 1HD2 ASN 58 11.317 1.782 6.907 466 HD22 ASN 58 2HD2 ASN 58 10.930 0.473 7.963 467 H ALA 59 H ALA 59 15.156 1.092 4.228 468 HA ALA 59 HA ALA 59 16.911 -0.593 5.677 469 HB1 ALA 59 3HB ALA 59 18.354 1.358 5.858 470 HB2 ALA 59 1HB ALA 59 17.025 2.411 5.371 471 HB3 ALA 59 2HB ALA 59 17.685 1.237 4.230 472 H GLY 60 H GLY 60 14.588 1.840 6.685 473 HA2 GLY 60 2HA GLY 60 13.882 0.997 9.111 474 HA3 GLY 60 1HA GLY 60 15.441 1.719 9.475 475 H LYS 61 H LYS 61 15.432 3.805 10.044 476 HA LYS 61 HA LYS 61 13.010 5.398 9.576 477 HB2 LYS 61 2HB LYS 61 15.346 5.772 11.464 478 HB3 LYS 61 1HB LYS 61 14.103 6.992 11.230 479 HG2 LYS 61 2HG LYS 61 13.558 5.789 13.201 480 HG3 LYS 61 1HG LYS 61 12.407 5.305 11.958 481 HD2 LYS 61 2HD LYS 61 13.713 3.253 11.562 482 HD3 LYS 61 1HD LYS 61 14.850 3.739 12.820 483 HE2 LYS 61 2HE LYS 61 13.006 3.690 14.466 484 HE3 LYS 61 1HE LYS 61 11.912 3.134 13.199 485 HZ1 LYS 61 3HZ LYS 61 12.725 1.304 14.544 486 HZ2 LYS 61 1HZ LYS 61 14.324 1.693 14.158 487 HZ3 LYS 61 2HZ LYS 61 13.272 1.153 12.951 488 H GLY 62 H GLY 62 13.160 7.604 8.822 489 HA2 GLY 62 2HA GLY 62 14.104 9.365 7.623 490 HA3 GLY 62 1HA GLY 62 15.624 8.491 7.566 491 H VAL 63 H VAL 63 13.166 6.455 6.568 492 HA VAL 63 HA VAL 63 13.668 7.102 3.725 493 HB VAL 63 HB VAL 63 13.460 4.685 3.224 494 HG11 VAL 63 1HG1 VAL 63 15.613 5.354 5.243 495 HG12 VAL 63 2HG1 VAL 63 15.680 5.667 3.508 496 HG13 VAL 63 3HG1 VAL 63 15.655 4.006 4.104 497 HG21 VAL 63 3HG2 VAL 63 13.441 4.345 6.229 498 HG22 VAL 63 1HG2 VAL 63 13.578 3.040 5.051 499 HG23 VAL 63 2HG2 VAL 63 12.101 4.000 5.133 500 HA PRO 64 HA PRO 64 9.295 7.547 3.106 501 HB2 PRO 64 2HB PRO 64 9.701 6.196 0.484 502 HB3 PRO 64 1HB PRO 64 9.033 7.792 0.836 503 HG2 PRO 64 2HG PRO 64 11.475 7.548 -0.200 504 HG3 PRO 64 1HG PRO 64 11.131 8.773 1.035 505 HD2 PRO 64 2HD PRO 64 12.499 6.119 1.331 506 HD3 PRO 64 1HD PRO 64 12.916 7.687 2.054 507 H GLY 65 H GLY 65 10.800 4.418 2.642 508 HA2 GLY 65 2HA GLY 65 10.034 2.372 3.463 509 HA3 GLY 65 1HA GLY 65 8.468 3.105 3.773 510 H LEU 66 H LEU 66 9.875 0.755 2.055 511 HA LEU 66 HA LEU 66 8.033 1.025 -0.237 512 HB2 LEU 66 2HB LEU 66 10.524 -0.670 0.037 513 HB3 LEU 66 1HB LEU 66 9.484 -0.611 -1.374 514 HG LEU 66 HG LEU 66 11.054 1.744 -0.303 515 HD11 LEU 66 1HD1 LEU 66 11.638 -0.030 -2.681 516 HD12 LEU 66 2HD1 LEU 66 12.550 0.014 -1.171 517 HD13 LEU 66 3HD1 LEU 66 12.527 1.425 -2.227 518 HD21 LEU 66 3HD2 LEU 66 10.469 2.779 -2.465 519 HD22 LEU 66 1HD2 LEU 66 9.049 2.429 -1.481 520 HD23 LEU 66 2HD2 LEU 66 9.457 1.382 -2.840 521 H TRP 67 H TRP 67 6.519 -0.550 -0.601 522 HA TRP 67 HA TRP 67 6.269 -2.595 1.511 523 HB2 TRP 67 2HB TRP 67 4.075 -1.249 -0.088 524 HB3 TRP 67 1HB TRP 67 3.836 -2.457 1.173 525 HD1 TRP 67 HD1 TRP 67 4.699 1.224 0.679 526 HE1 TRP 67 HE1 TRP 67 4.597 2.425 2.950 527 HE3 TRP 67 HE3 TRP 67 4.113 -2.848 3.722 528 HZ2 TRP 67 HZ2 TRP 67 4.310 1.736 5.672 529 HZ3 TRP 67 HZ3 TRP 67 3.939 -2.486 6.149 530 HH2 TRP 67 HH2 TRP 67 4.035 -0.244 7.103 531 H ARG 68 H ARG 68 6.115 -4.673 1.012 532 HA ARG 68 HA ARG 68 5.505 -5.507 -1.748 533 HB2 ARG 68 2HB ARG 68 7.890 -5.568 -1.693 534 HB3 ARG 68 1HB ARG 68 7.908 -6.300 -0.095 535 HG2 ARG 68 2HG ARG 68 7.058 -8.380 -0.991 536 HG3 ARG 68 1HG ARG 68 6.900 -7.655 -2.595 537 HD2 ARG 68 2HD ARG 68 9.290 -7.396 -2.771 538 HD3 ARG 68 1HD ARG 68 9.513 -7.922 -1.102 539 HE ARG 68 HE ARG 68 8.326 -10.060 -2.153 540 HH11 ARG 68 1HH1 ARG 68 10.913 -8.146 -3.389 541 HH12 ARG 68 2HH1 ARG 68 11.658 -9.478 -4.192 542 HH21 ARG 68 1HH2 ARG 68 9.290 -11.752 -3.176 543 HH22 ARG 68 2HH2 ARG 68 10.745 -11.504 -4.079 544 H LEU 69 H LEU 69 4.284 -7.368 -1.903 545 HA LEU 69 HA LEU 69 3.132 -8.350 0.570 546 HB2 LEU 69 2HB LEU 69 1.677 -9.717 -1.003 547 HB3 LEU 69 1HB LEU 69 1.519 -7.976 -1.079 548 HG LEU 69 HG LEU 69 3.067 -8.052 -3.108 549 HD11 LEU 69 1HD1 LEU 69 3.138 -10.160 -4.361 550 HD12 LEU 69 2HD1 LEU 69 2.392 -10.991 -2.994 551 HD13 LEU 69 3HD1 LEU 69 3.995 -10.278 -2.823 552 HD21 LEU 69 3HD2 LEU 69 0.667 -7.650 -3.271 553 HD22 LEU 69 1HD2 LEU 69 0.370 -9.388 -3.314 554 HD23 LEU 69 2HD2 LEU 69 1.246 -8.610 -4.631 555 H LEU 70 H LEU 70 3.006 -10.587 1.175 556 HA LEU 70 HA LEU 70 4.901 -12.401 -0.120 557 HB2 LEU 70 2HB LEU 70 6.003 -13.022 1.959 558 HB3 LEU 70 1HB LEU 70 6.254 -11.331 1.584 559 HG LEU 70 HG LEU 70 4.227 -12.304 3.611 560 HD11 LEU 70 1HD1 LEU 70 5.827 -11.671 5.331 561 HD12 LEU 70 2HD1 LEU 70 7.021 -11.264 4.098 562 HD13 LEU 70 3HD1 LEU 70 6.495 -12.936 4.300 563 HD21 LEU 70 3HD2 LEU 70 4.318 -9.968 4.400 564 HD22 LEU 70 1HD2 LEU 70 3.734 -10.092 2.741 565 HD23 LEU 70 2HD2 LEU 70 5.388 -9.569 3.055 566 H GLU 71 H GLU 71 2.560 -12.128 2.593 567 HA GLU 71 HA GLU 71 1.860 -14.955 2.193 568 HB2 GLU 71 2HB GLU 71 0.983 -13.078 4.401 569 HB3 GLU 71 1HB GLU 71 0.694 -14.810 4.334 570 HG2 GLU 71 2HG GLU 71 3.357 -13.428 4.633 571 HG3 GLU 71 1HG GLU 71 2.494 -14.354 5.859 Start of MODEL 2 1 H1 MET 1 1H MET 1 -19.598 -1.963 4.368 2 H2 MET 1 2H MET 1 -18.806 -3.281 3.667 3 H3 MET 1 3H MET 1 -20.307 -3.497 4.407 4 HA MET 1 HA MET 1 -20.536 -3.511 2.017 5 HB2 MET 1 2HB MET 1 -21.687 -1.061 3.375 6 HB3 MET 1 1HB MET 1 -22.232 -1.677 1.823 7 HG2 MET 1 2HG MET 1 -22.362 -3.159 4.442 8 HG3 MET 1 1HG MET 1 -23.712 -2.354 3.640 9 HE1 MET 1 3HE MET 1 -25.199 -4.533 3.685 10 HE2 MET 1 1HE MET 1 -23.914 -5.371 4.555 11 HE3 MET 1 2HE MET 1 -24.641 -6.110 3.129 12 H SER 2 H SER 2 -19.416 -0.293 3.125 13 HA SER 2 HA SER 2 -18.565 0.342 0.372 14 HB2 SER 2 2HB SER 2 -18.744 2.215 2.751 15 HB3 SER 2 1HB SER 2 -18.569 2.660 1.053 16 HG SER 2 HG SER 2 -20.649 1.916 0.666 17 H GLU 3 H GLU 3 -17.039 -1.403 2.294 18 HA GLU 3 HA GLU 3 -14.774 0.314 3.067 19 HB2 GLU 3 2HB GLU 3 -15.465 -2.497 3.946 20 HB3 GLU 3 1HB GLU 3 -14.236 -1.452 4.651 21 HG2 GLU 3 2HG GLU 3 -15.796 -0.071 5.666 22 HG3 GLU 3 1HG GLU 3 -17.083 -0.540 4.557 23 H SER 4 H SER 4 -15.249 -0.904 0.306 24 HA SER 4 HA SER 4 -13.421 -3.032 -0.107 25 HB2 SER 4 2HB SER 4 -13.683 -2.526 -2.520 26 HB3 SER 4 1HB SER 4 -15.234 -2.593 -1.682 27 HG SER 4 HG SER 4 -14.547 -0.705 -3.206 28 H ILE 5 H ILE 5 -12.738 0.147 0.637 29 HA ILE 5 HA ILE 5 -10.632 0.872 -1.039 30 HB ILE 5 HB ILE 5 -11.066 1.532 1.885 31 HG12 ILE 5 2HG1 ILE 5 -11.648 3.803 0.877 32 HG13 ILE 5 1HG1 ILE 5 -11.650 3.012 -0.693 33 HG21 ILE 5 1HG2 ILE 5 -8.694 1.769 1.392 34 HG22 ILE 5 2HG2 ILE 5 -9.439 3.351 1.602 35 HG23 ILE 5 3HG2 ILE 5 -9.064 2.762 -0.016 36 HD11 ILE 5 3HD1 ILE 5 -13.894 3.245 0.180 37 HD12 ILE 5 1HD1 ILE 5 -13.445 2.347 1.630 38 HD13 ILE 5 2HD1 ILE 5 -13.450 1.543 0.059 39 H VAL 6 H VAL 6 -10.626 -1.237 1.801 40 HA VAL 6 HA VAL 6 -7.844 -1.477 2.151 41 HB VAL 6 HB VAL 6 -9.939 -3.595 2.704 42 HG11 VAL 6 1HG1 VAL 6 -7.190 -3.201 3.900 43 HG12 VAL 6 2HG1 VAL 6 -7.656 -4.472 2.771 44 HG13 VAL 6 3HG1 VAL 6 -8.362 -4.428 4.386 45 HG21 VAL 6 3HG2 VAL 6 -10.531 -1.476 3.766 46 HG22 VAL 6 1HG2 VAL 6 -8.926 -1.378 4.494 47 HG23 VAL 6 2HG2 VAL 6 -10.037 -2.662 4.973 48 H THR 7 H THR 7 -10.076 -3.652 0.385 49 HA THR 7 HA THR 7 -8.120 -5.342 -0.714 50 HB THR 7 HB THR 7 -10.800 -4.623 -1.947 51 HG1 THR 7 HG1 THR 7 -10.919 -6.970 -0.771 52 HG21 THR 7 3HG2 THR 7 -9.039 -7.059 -2.330 53 HG22 THR 7 1HG2 THR 7 -9.319 -5.790 -3.523 54 HG23 THR 7 2HG2 THR 7 -10.648 -6.835 -3.021 55 H LYS 8 H LYS 8 -9.434 -2.272 -1.867 56 HA LYS 8 HA LYS 8 -8.229 -2.193 -4.395 57 HB2 LYS 8 2HB LYS 8 -9.928 -0.570 -3.757 58 HB3 LYS 8 1HB LYS 8 -8.878 0.088 -2.509 59 HG2 LYS 8 2HG LYS 8 -7.320 0.881 -4.209 60 HG3 LYS 8 1HG LYS 8 -8.326 0.177 -5.476 61 HD2 LYS 8 2HD LYS 8 -10.165 1.680 -4.835 62 HD3 LYS 8 1HD LYS 8 -9.146 2.388 -3.578 63 HE2 LYS 8 2HE LYS 8 -9.200 3.793 -5.585 64 HE3 LYS 8 1HE LYS 8 -7.577 3.175 -5.278 65 HZ1 LYS 8 3HZ LYS 8 -7.869 1.543 -6.999 66 HZ2 LYS 8 1HZ LYS 8 -8.248 3.062 -7.633 67 HZ3 LYS 8 2HZ LYS 8 -9.483 1.985 -7.225 68 H ILE 9 H ILE 9 -7.001 -0.968 -1.268 69 HA ILE 9 HA ILE 9 -4.554 0.024 -2.211 70 HB ILE 9 HB ILE 9 -5.234 -1.079 0.524 71 HG12 ILE 9 2HG1 ILE 9 -5.162 1.763 -0.540 72 HG13 ILE 9 1HG1 ILE 9 -6.617 0.833 -0.202 73 HG21 ILE 9 1HG2 ILE 9 -3.290 0.194 1.341 74 HG22 ILE 9 2HG2 ILE 9 -2.870 0.611 -0.320 75 HG23 ILE 9 3HG2 ILE 9 -2.813 -1.071 0.209 76 HD11 ILE 9 3HD1 ILE 9 -4.574 1.729 1.817 77 HD12 ILE 9 1HD1 ILE 9 -6.011 0.770 2.168 78 HD13 ILE 9 2HD1 ILE 9 -6.178 2.418 1.565 79 H ILE 10 H ILE 10 -5.350 -3.218 -0.934 80 HA ILE 10 HA ILE 10 -2.831 -4.407 -1.200 81 HB ILE 10 HB ILE 10 -5.538 -5.700 -1.670 82 HG12 ILE 10 2HG1 ILE 10 -3.853 -5.564 0.852 83 HG13 ILE 10 1HG1 ILE 10 -5.312 -4.625 0.557 84 HG21 ILE 10 1HG2 ILE 10 -2.868 -6.969 -1.036 85 HG22 ILE 10 2HG2 ILE 10 -3.729 -7.065 -2.573 86 HG23 ILE 10 3HG2 ILE 10 -4.412 -7.817 -1.132 87 HD11 ILE 10 3HD1 ILE 10 -5.147 -7.623 0.765 88 HD12 ILE 10 1HD1 ILE 10 -6.612 -6.690 0.451 89 HD13 ILE 10 2HD1 ILE 10 -5.768 -6.515 1.988 90 H SER 11 H SER 11 -5.432 -4.044 -3.585 91 HA SER 11 HA SER 11 -4.113 -5.316 -5.753 92 HB2 SER 11 2HB SER 11 -6.274 -3.190 -5.811 93 HB3 SER 11 1HB SER 11 -5.796 -4.200 -7.176 94 HG SER 11 HG SER 11 -7.103 -4.951 -4.774 95 H ILE 12 H ILE 12 -3.980 -2.034 -4.506 96 HA ILE 12 HA ILE 12 -2.673 -0.835 -6.723 97 HB ILE 12 HB ILE 12 -2.687 -0.061 -3.799 98 HG12 ILE 12 2HG1 ILE 12 -4.156 1.134 -6.168 99 HG13 ILE 12 1HG1 ILE 12 -4.868 0.009 -5.017 100 HG21 ILE 12 1HG2 ILE 12 -0.680 0.839 -4.846 101 HG22 ILE 12 2HG2 ILE 12 -1.834 2.134 -4.521 102 HG23 ILE 12 3HG2 ILE 12 -1.646 1.512 -6.162 103 HD11 ILE 12 3HD1 ILE 12 -5.496 2.296 -4.532 104 HD12 ILE 12 1HD1 ILE 12 -3.796 2.744 -4.370 105 HD13 ILE 12 2HD1 ILE 12 -4.527 1.615 -3.225 106 H VAL 13 H VAL 13 -1.378 -2.193 -3.671 107 HA VAL 13 HA VAL 13 1.346 -1.839 -4.277 108 HB VAL 13 HB VAL 13 0.132 -4.092 -2.647 109 HG11 VAL 13 1HG1 VAL 13 2.466 -4.511 -3.277 110 HG12 VAL 13 2HG1 VAL 13 2.320 -4.200 -1.549 111 HG13 VAL 13 3HG1 VAL 13 2.932 -2.942 -2.620 112 HG21 VAL 13 3HG2 VAL 13 1.069 -1.347 -1.787 113 HG22 VAL 13 1HG2 VAL 13 0.575 -2.644 -0.697 114 HG23 VAL 13 2HG2 VAL 13 -0.596 -1.927 -1.802 115 H GLN 14 H GLN 14 -0.806 -4.616 -4.877 116 HA GLN 14 HA GLN 14 0.927 -6.303 -6.255 117 HB2 GLN 14 2HB GLN 14 -1.390 -6.892 -5.599 118 HB3 GLN 14 1HB GLN 14 -2.009 -5.794 -6.823 119 HG2 GLN 14 2HG GLN 14 -2.188 -7.985 -7.694 120 HG3 GLN 14 1HG GLN 14 -0.864 -7.203 -8.551 121 HE21 GLN 14 1HE2 GLN 14 -0.617 -8.490 -5.291 122 HE22 GLN 14 2HE2 GLN 14 0.456 -9.777 -5.691 123 H GLU 15 H GLU 15 -1.116 -3.696 -7.544 124 HA GLU 15 HA GLU 15 -0.433 -3.860 -10.238 125 HB2 GLU 15 2HB GLU 15 -2.278 -2.481 -9.357 126 HB3 GLU 15 1HB GLU 15 -1.113 -1.397 -8.610 127 HG2 GLU 15 2HG GLU 15 -0.216 -0.935 -10.924 128 HG3 GLU 15 1HG GLU 15 -1.611 -1.813 -11.550 129 H ARG 16 H ARG 16 0.856 -1.442 -7.934 130 HA ARG 16 HA ARG 16 2.831 -0.364 -9.544 131 HB2 ARG 16 2HB ARG 16 2.944 -0.746 -6.543 132 HB3 ARG 16 1HB ARG 16 3.946 0.365 -7.463 133 HG2 ARG 16 2HG ARG 16 0.952 0.505 -7.140 134 HG3 ARG 16 1HG ARG 16 2.144 1.542 -6.358 135 HD2 ARG 16 2HD ARG 16 2.877 2.142 -8.764 136 HD3 ARG 16 1HD ARG 16 1.330 1.444 -9.250 137 HE ARG 16 HE ARG 16 1.307 3.520 -7.200 138 HH11 ARG 16 1HH1 ARG 16 0.575 2.569 -10.423 139 HH12 ARG 16 2HH1 ARG 16 -0.242 4.045 -10.790 140 HH21 ARG 16 1HH2 ARG 16 0.249 5.393 -7.663 141 HH22 ARG 16 2HH2 ARG 16 -0.436 5.638 -9.230 142 H GLN 17 H GLN 17 3.226 -3.010 -7.184 143 HA GLN 17 HA GLN 17 5.960 -3.444 -7.532 144 HB2 GLN 17 2HB GLN 17 4.573 -4.344 -5.689 145 HB3 GLN 17 1HB GLN 17 3.827 -5.470 -6.812 146 HG2 GLN 17 2HG GLN 17 5.912 -6.626 -7.125 147 HG3 GLN 17 1HG GLN 17 6.773 -5.413 -6.176 148 HE21 GLN 17 1HE2 GLN 17 6.487 -8.324 -5.782 149 HE22 GLN 17 2HE2 GLN 17 5.838 -8.510 -4.193 150 H ASN 18 H ASN 18 3.215 -4.714 -9.374 151 HA ASN 18 HA ASN 18 4.877 -6.409 -11.024 152 HB2 ASN 18 2HB ASN 18 1.965 -5.614 -11.185 153 HB3 ASN 18 1HB ASN 18 2.734 -6.667 -12.366 154 HD21 ASN 18 1HD2 ASN 18 0.563 -7.241 -10.536 155 HD22 ASN 18 2HD2 ASN 18 1.090 -8.567 -9.564 156 H MET 19 H MET 19 3.703 -3.118 -11.188 157 HA MET 19 HA MET 19 4.136 -2.739 -13.991 158 HB2 MET 19 2HB MET 19 3.959 -0.737 -11.726 159 HB3 MET 19 1HB MET 19 4.055 -0.297 -13.426 160 HG2 MET 19 2HG MET 19 1.853 -1.872 -12.111 161 HG3 MET 19 1HG MET 19 1.771 -0.192 -12.632 162 HE1 MET 19 3HE MET 19 -0.599 -1.935 -15.209 163 HE2 MET 19 1HE MET 19 -0.432 -0.633 -14.029 164 HE3 MET 19 2HE MET 19 -0.426 -2.315 -13.496 165 H ASP 20 H ASP 20 6.007 -1.558 -11.167 166 HA ASP 20 HA ASP 20 8.272 -0.868 -12.782 167 HB2 ASP 20 2HB ASP 20 7.966 -1.095 -9.777 168 HB3 ASP 20 1HB ASP 20 9.391 -0.454 -10.590 169 H ASP 21 H ASP 21 7.329 -3.657 -10.886 170 HA ASP 21 HA ASP 21 7.999 -5.815 -10.971 171 HB2 ASP 21 2HB ASP 21 8.159 -5.454 -13.397 172 HB3 ASP 21 1HB ASP 21 9.819 -4.901 -13.210 173 H GLY 22 H GLY 22 11.084 -4.186 -11.749 174 HA2 GLY 22 2HA GLY 22 12.431 -5.802 -9.727 175 HA3 GLY 22 1HA GLY 22 13.196 -4.737 -10.892 176 H ALA 23 H ALA 23 10.647 -3.990 -8.528 177 HA ALA 23 HA ALA 23 12.428 -2.487 -6.834 178 HB1 ALA 23 3HB ALA 23 10.442 -0.957 -8.518 179 HB2 ALA 23 1HB ALA 23 12.194 -0.947 -8.729 180 HB3 ALA 23 2HB ALA 23 11.479 -0.288 -7.259 181 HA PRO 24 HA PRO 24 8.961 -3.200 -4.029 182 HB2 PRO 24 2HB PRO 24 9.868 -1.681 -1.954 183 HB3 PRO 24 1HB PRO 24 10.501 -3.293 -2.317 184 HG2 PRO 24 2HG PRO 24 11.643 -0.610 -3.009 185 HG3 PRO 24 1HG PRO 24 12.473 -2.058 -2.412 186 HD2 PRO 24 2HD PRO 24 12.480 -1.334 -5.029 187 HD3 PRO 24 1HD PRO 24 12.549 -3.030 -4.500 188 H VAL 25 H VAL 25 7.161 -2.028 -3.236 189 HA VAL 25 HA VAL 25 6.600 0.400 -4.704 190 HB VAL 25 HB VAL 25 4.816 -0.988 -2.689 191 HG11 VAL 25 1HG1 VAL 25 2.998 0.033 -3.992 192 HG12 VAL 25 2HG1 VAL 25 4.190 0.840 -5.011 193 HG13 VAL 25 3HG1 VAL 25 4.076 1.243 -3.298 194 HG21 VAL 25 3HG2 VAL 25 5.526 -2.625 -4.338 195 HG22 VAL 25 1HG2 VAL 25 5.078 -1.533 -5.648 196 HG23 VAL 25 2HG2 VAL 25 3.833 -2.201 -4.592 197 H LYS 26 H LYS 26 5.936 2.412 -3.774 198 HA LYS 26 HA LYS 26 6.980 2.862 -1.040 199 HB2 LYS 26 2HB LYS 26 6.732 4.878 -3.293 200 HB3 LYS 26 1HB LYS 26 7.386 5.193 -1.696 201 HG2 LYS 26 2HG LYS 26 9.230 5.002 -3.157 202 HG3 LYS 26 1HG LYS 26 9.190 3.511 -2.217 203 HD2 LYS 26 2HD LYS 26 8.265 2.287 -4.054 204 HD3 LYS 26 1HD LYS 26 7.981 3.765 -4.974 205 HE2 LYS 26 2HE LYS 26 10.692 2.685 -4.188 206 HE3 LYS 26 1HE LYS 26 9.947 2.510 -5.777 207 HZ1 LYS 26 3HZ LYS 26 10.716 5.059 -4.469 208 HZ2 LYS 26 1HZ LYS 26 9.914 4.942 -5.953 209 HZ3 LYS 26 2HZ LYS 26 11.483 4.338 -5.787 210 H THR 27 H THR 27 5.808 4.277 0.361 211 HA THR 27 HA THR 27 3.029 3.975 0.382 212 HB THR 27 HB THR 27 4.626 6.160 1.755 213 HG1 THR 27 HG1 THR 27 5.149 3.853 2.211 214 HG21 THR 27 3HG2 THR 27 2.218 6.663 1.720 215 HG22 THR 27 1HG2 THR 27 2.761 6.262 3.349 216 HG23 THR 27 2HG2 THR 27 1.873 5.071 2.397 217 H ARG 28 H ARG 28 5.001 6.468 -1.080 218 HA ARG 28 HA ARG 28 3.019 8.445 -1.451 219 HB2 ARG 28 2HB ARG 28 5.451 7.961 -3.187 220 HB3 ARG 28 1HB ARG 28 4.538 9.458 -3.052 221 HG2 ARG 28 2HG ARG 28 5.203 9.585 -0.658 222 HG3 ARG 28 1HG ARG 28 6.217 8.163 -0.908 223 HD2 ARG 28 2HD ARG 28 6.496 10.878 -2.195 224 HD3 ARG 28 1HD ARG 28 7.617 10.095 -1.081 225 HE ARG 28 HE ARG 28 7.086 8.887 -3.705 226 HH11 ARG 28 1HH1 ARG 28 9.272 10.427 -1.536 227 HH12 ARG 28 2HH1 ARG 28 10.657 10.048 -2.494 228 HH21 ARG 28 1HH2 ARG 28 8.857 8.430 -4.930 229 HH22 ARG 28 2HH2 ARG 28 10.425 8.933 -4.401 230 H ASP 29 H ASP 29 4.327 6.149 -3.901 231 HA ASP 29 HA ASP 29 2.370 6.869 -5.821 232 HB2 ASP 29 2HB ASP 29 3.192 4.542 -6.841 233 HB3 ASP 29 1HB ASP 29 4.143 6.016 -6.944 234 H ILE 30 H ILE 30 2.260 4.565 -3.210 235 HA ILE 30 HA ILE 30 -0.018 3.116 -4.116 236 HB ILE 30 HB ILE 30 0.812 3.733 -1.263 237 HG12 ILE 30 2HG1 ILE 30 1.299 1.266 -2.957 238 HG13 ILE 30 1HG1 ILE 30 2.505 2.495 -2.604 239 HG21 ILE 30 1HG2 ILE 30 -1.528 3.099 -1.349 240 HG22 ILE 30 2HG2 ILE 30 -0.585 1.769 -0.678 241 HG23 ILE 30 3HG2 ILE 30 -1.145 1.698 -2.348 242 HD11 ILE 30 3HD1 ILE 30 2.816 0.564 -1.193 243 HD12 ILE 30 1HD1 ILE 30 1.162 0.697 -0.599 244 HD13 ILE 30 2HD1 ILE 30 2.338 1.952 -0.218 245 H ALA 31 H ALA 31 0.261 5.940 -1.937 246 HA ALA 31 HA ALA 31 -2.459 6.530 -1.685 247 HB1 ALA 31 3HB ALA 31 -0.743 7.575 -0.302 248 HB2 ALA 31 1HB ALA 31 -1.742 8.801 -1.084 249 HB3 ALA 31 2HB ALA 31 -0.127 8.451 -1.702 250 H ASP 32 H ASP 32 -0.133 7.523 -4.146 251 HA ASP 32 HA ASP 32 -1.607 9.264 -5.689 252 HB2 ASP 32 2HB ASP 32 0.744 8.770 -6.102 253 HB3 ASP 32 1HB ASP 32 0.347 7.122 -6.573 254 H ALA 33 H ALA 33 -1.508 5.697 -6.041 255 HA ALA 33 HA ALA 33 -3.527 5.640 -8.074 256 HB1 ALA 33 3HB ALA 33 -2.438 3.405 -6.363 257 HB2 ALA 33 1HB ALA 33 -1.820 3.909 -7.934 258 HB3 ALA 33 2HB ALA 33 -3.431 3.203 -7.807 259 H ALA 34 H ALA 34 -3.582 5.575 -4.603 260 HA ALA 34 HA ALA 34 -6.260 4.511 -4.384 261 HB1 ALA 34 3HB ALA 34 -4.587 4.118 -2.628 262 HB2 ALA 34 1HB ALA 34 -6.022 4.925 -1.997 263 HB3 ALA 34 2HB ALA 34 -4.546 5.847 -2.285 264 H GLY 35 H GLY 35 -4.860 7.650 -4.794 265 HA2 GLY 35 2HA GLY 35 -5.816 9.743 -4.973 266 HA3 GLY 35 1HA GLY 35 -7.393 8.966 -4.929 267 H LEU 36 H LEU 36 -5.110 8.409 -2.375 268 HA LEU 36 HA LEU 36 -6.805 9.997 -0.542 269 HB2 LEU 36 2HB LEU 36 -5.395 7.376 -0.004 270 HB3 LEU 36 1HB LEU 36 -6.270 8.310 1.195 271 HG LEU 36 HG LEU 36 -7.488 7.014 -1.254 272 HD11 LEU 36 1HD1 LEU 36 -6.796 5.369 0.398 273 HD12 LEU 36 2HD1 LEU 36 -8.553 5.498 0.344 274 HD13 LEU 36 3HD1 LEU 36 -7.654 6.252 1.661 275 HD21 LEU 36 3HD2 LEU 36 -8.667 9.060 -0.639 276 HD22 LEU 36 1HD2 LEU 36 -8.801 8.493 1.029 277 HD23 LEU 36 2HD2 LEU 36 -9.640 7.636 -0.265 278 H SER 37 H SER 37 -5.578 10.205 1.681 279 HA SER 37 HA SER 37 -3.166 11.713 1.137 280 HB2 SER 37 2HB SER 37 -4.574 11.195 3.775 281 HB3 SER 37 1HB SER 37 -3.302 12.385 3.493 282 HG SER 37 HG SER 37 -4.676 13.576 2.247 283 H ILE 38 H ILE 38 -1.123 11.369 2.086 284 HA ILE 38 HA ILE 38 -0.104 8.792 2.022 285 HB ILE 38 HB ILE 38 1.006 11.167 3.546 286 HG12 ILE 38 2HG1 ILE 38 0.641 11.639 1.155 287 HG13 ILE 38 1HG1 ILE 38 2.357 11.572 1.533 288 HG21 ILE 38 1HG2 ILE 38 2.388 8.642 2.626 289 HG22 ILE 38 2HG2 ILE 38 2.063 9.116 4.292 290 HG23 ILE 38 3HG2 ILE 38 3.193 10.052 3.316 291 HD11 ILE 38 3HD1 ILE 38 1.869 10.482 -0.578 292 HD12 ILE 38 1HD1 ILE 38 0.750 9.386 0.229 293 HD13 ILE 38 2HD1 ILE 38 2.470 9.319 0.602 294 H TYR 39 H TYR 39 -1.206 10.642 4.837 295 HA TYR 39 HA TYR 39 -0.330 8.908 6.861 296 HB2 TYR 39 2HB TYR 39 -1.146 11.275 7.142 297 HB3 TYR 39 1HB TYR 39 -2.787 10.677 6.940 298 HD1 TYR 39 HD2 TYR 39 0.250 10.088 9.032 299 HD2 TYR 39 HD1 TYR 39 -4.004 10.123 8.851 300 HE1 TYR 39 HE2 TYR 39 0.149 9.647 11.448 301 HE2 TYR 39 HE1 TYR 39 -4.114 9.688 11.267 302 HH TYR 39 HH TYR 39 -2.668 8.698 13.042 303 H GLN 40 H GLN 40 -3.691 9.214 5.613 304 HA GLN 40 HA GLN 40 -4.842 7.023 6.815 305 HB2 GLN 40 2HB GLN 40 -5.314 8.335 4.158 306 HB3 GLN 40 1HB GLN 40 -6.178 6.857 4.544 307 HG2 GLN 40 2HG GLN 40 -6.246 9.356 6.221 308 HG3 GLN 40 1HG GLN 40 -7.444 8.935 5.000 309 HE21 GLN 40 1HE2 GLN 40 -9.169 8.739 6.371 310 HE22 GLN 40 2HE2 GLN 40 -9.296 7.508 7.577 311 H VAL 41 H VAL 41 -3.350 7.008 3.573 312 HA VAL 41 HA VAL 41 -3.603 4.302 3.026 313 HB VAL 41 HB VAL 41 -1.404 6.193 2.156 314 HG11 VAL 41 1HG1 VAL 41 -1.033 4.632 0.286 315 HG12 VAL 41 2HG1 VAL 41 -2.184 3.505 1.008 316 HG13 VAL 41 3HG1 VAL 41 -0.679 3.886 1.844 317 HG21 VAL 41 3HG2 VAL 41 -3.629 6.945 1.524 318 HG22 VAL 41 1HG2 VAL 41 -3.987 5.369 0.820 319 HG23 VAL 41 2HG2 VAL 41 -2.746 6.395 0.100 320 H ARG 42 H ARG 42 -0.909 5.970 4.664 321 HA ARG 42 HA ARG 42 0.745 3.721 4.948 322 HB2 ARG 42 2HB ARG 42 1.458 6.093 5.309 323 HB3 ARG 42 1HB ARG 42 0.600 6.071 6.848 324 HG2 ARG 42 2HG ARG 42 2.985 5.695 7.171 325 HG3 ARG 42 1HG ARG 42 2.057 4.271 7.641 326 HD2 ARG 42 2HD ARG 42 2.566 3.242 5.457 327 HD3 ARG 42 1HD ARG 42 3.522 4.658 5.025 328 HE ARG 42 HE ARG 42 4.207 2.914 7.309 329 HH11 ARG 42 1HH1 ARG 42 5.082 4.567 4.413 330 HH12 ARG 42 2HH1 ARG 42 6.769 4.255 4.614 331 HH21 ARG 42 1HH2 ARG 42 6.377 2.493 7.538 332 HH22 ARG 42 2HH2 ARG 42 7.496 3.097 6.366 333 H LEU 43 H LEU 43 -1.790 5.006 7.099 334 HA LEU 43 HA LEU 43 -1.459 3.270 9.263 335 HB2 LEU 43 2HB LEU 43 -4.050 4.354 8.134 336 HB3 LEU 43 1HB LEU 43 -3.866 3.646 9.728 337 HG LEU 43 HG LEU 43 -2.576 6.209 8.766 338 HD11 LEU 43 1HD1 LEU 43 -4.971 6.437 9.149 339 HD12 LEU 43 2HD1 LEU 43 -4.052 7.293 10.384 340 HD13 LEU 43 3HD1 LEU 43 -4.795 5.739 10.759 341 HD21 LEU 43 3HD2 LEU 43 -1.844 6.472 11.101 342 HD22 LEU 43 1HD2 LEU 43 -1.112 5.067 10.327 343 HD23 LEU 43 2HD2 LEU 43 -2.445 4.852 11.465 344 H TYR 44 H TYR 44 -3.355 2.823 6.294 345 HA TYR 44 HA TYR 44 -4.268 0.210 6.898 346 HB2 TYR 44 2HB TYR 44 -3.959 1.693 4.284 347 HB3 TYR 44 1HB TYR 44 -4.638 0.070 4.381 348 HD1 TYR 44 HD2 TYR 44 -6.769 -0.300 5.637 349 HD2 TYR 44 HD1 TYR 44 -5.274 3.620 4.877 350 HE1 TYR 44 HE2 TYR 44 -8.983 0.640 6.137 351 HE2 TYR 44 HE1 TYR 44 -7.486 4.562 5.379 352 HH TYR 44 HH TYR 44 -9.835 3.850 5.420 353 H LEU 45 H LEU 45 -1.398 1.369 5.135 354 HA LEU 45 HA LEU 45 -0.443 -1.120 4.244 355 HB2 LEU 45 2HB LEU 45 1.162 1.313 5.065 356 HB3 LEU 45 1HB LEU 45 1.773 -0.031 4.118 357 HG LEU 45 HG LEU 45 -0.388 1.899 3.261 358 HD11 LEU 45 1HD1 LEU 45 1.851 2.893 3.319 359 HD12 LEU 45 2HD1 LEU 45 1.238 2.734 1.675 360 HD13 LEU 45 3HD1 LEU 45 2.449 1.600 2.276 361 HD21 LEU 45 3HD2 LEU 45 0.902 -0.352 1.718 362 HD22 LEU 45 1HD2 LEU 45 -0.262 0.815 1.087 363 HD23 LEU 45 2HD2 LEU 45 -0.753 -0.333 2.333 364 H GLU 46 H GLU 46 0.257 0.645 7.256 365 HA GLU 46 HA GLU 46 2.002 -1.109 8.498 366 HB2 GLU 46 2HB GLU 46 -0.247 0.486 9.756 367 HB3 GLU 46 1HB GLU 46 1.088 -0.235 10.643 368 HG2 GLU 46 2HG GLU 46 1.365 1.893 8.525 369 HG3 GLU 46 1HG GLU 46 1.342 2.189 10.261 370 H GLN 47 H GLN 47 -1.558 -1.107 8.689 371 HA GLN 47 HA GLN 47 -1.759 -3.445 10.269 372 HB2 GLN 47 2HB GLN 47 -3.816 -2.184 8.444 373 HB3 GLN 47 1HB GLN 47 -4.156 -3.384 9.684 374 HG2 GLN 47 2HG GLN 47 -3.113 -0.588 10.114 375 HG3 GLN 47 1HG GLN 47 -4.727 -1.188 10.497 376 HE21 GLN 47 1HE2 GLN 47 -5.008 -2.488 12.316 377 HE22 GLN 47 2HE2 GLN 47 -3.799 -2.624 13.545 378 H LEU 48 H LEU 48 -1.705 -2.967 6.761 379 HA LEU 48 HA LEU 48 -2.407 -5.613 6.047 380 HB2 LEU 48 2HB LEU 48 -0.800 -3.511 4.601 381 HB3 LEU 48 1HB LEU 48 -1.174 -5.071 3.889 382 HG LEU 48 HG LEU 48 -3.209 -3.012 4.772 383 HD11 LEU 48 1HD1 LEU 48 -3.649 -2.743 2.375 384 HD12 LEU 48 2HD1 LEU 48 -2.311 -3.836 2.009 385 HD13 LEU 48 3HD1 LEU 48 -1.997 -2.286 2.795 386 HD21 LEU 48 3HD2 LEU 48 -3.590 -5.646 3.344 387 HD22 LEU 48 1HD2 LEU 48 -4.850 -4.459 3.679 388 HD23 LEU 48 2HD2 LEU 48 -4.052 -5.296 5.009 389 H HIS 49 H HIS 49 0.646 -4.205 7.091 390 HA HIS 49 HA HIS 49 2.186 -6.573 6.543 391 HB2 HIS 49 2HB HIS 49 3.117 -4.226 6.904 392 HB3 HIS 49 1HB HIS 49 2.833 -4.470 8.622 393 HD1 HIS 49 HD1 HIS 49 3.983 -7.062 9.329 394 HD2 HIS 49 HD2 HIS 49 5.691 -4.733 6.338 395 HE1 HIS 49 HE1 HIS 49 6.332 -7.888 9.094 396 HE2 HIS 49 HE2 HIS 49 7.262 -6.625 7.137 397 H ASP 50 H ASP 50 0.382 -5.307 9.290 398 HA ASP 50 HA ASP 50 1.123 -7.201 11.233 399 HB2 ASP 50 2HB ASP 50 0.082 -5.170 11.924 400 HB3 ASP 50 1HB ASP 50 -1.317 -5.450 10.891 401 H VAL 51 H VAL 51 -1.582 -7.216 8.915 402 HA VAL 51 HA VAL 51 -2.682 -9.667 9.964 403 HB VAL 51 HB VAL 51 -4.327 -9.517 8.177 404 HG11 VAL 51 1HG1 VAL 51 -4.654 -8.163 10.185 405 HG12 VAL 51 2HG1 VAL 51 -5.321 -7.359 8.766 406 HG13 VAL 51 3HG1 VAL 51 -3.781 -6.825 9.439 407 HG21 VAL 51 3HG2 VAL 51 -2.713 -7.179 7.137 408 HG22 VAL 51 1HG2 VAL 51 -4.268 -7.731 6.508 409 HG23 VAL 51 2HG2 VAL 51 -2.843 -8.762 6.372 410 H GLY 52 H GLY 52 -0.170 -9.008 7.775 411 HA2 GLY 52 2HA GLY 52 1.243 -10.696 6.905 412 HA3 GLY 52 1HA GLY 52 -0.084 -11.841 7.010 413 H VAL 53 H VAL 53 0.305 -8.687 5.381 414 HA VAL 53 HA VAL 53 -0.235 -10.019 2.795 415 HB VAL 53 HB VAL 53 -1.142 -7.252 3.641 416 HG11 VAL 53 1HG1 VAL 53 -1.504 -8.675 0.995 417 HG12 VAL 53 2HG1 VAL 53 -0.483 -7.265 1.292 418 HG13 VAL 53 3HG1 VAL 53 -2.235 -7.131 1.439 419 HG21 VAL 53 3HG2 VAL 53 -3.411 -8.126 3.393 420 HG22 VAL 53 1HG2 VAL 53 -2.507 -9.048 4.594 421 HG23 VAL 53 2HG2 VAL 53 -2.766 -9.717 2.984 422 H LEU 54 H LEU 54 1.082 -6.988 4.173 423 HA LEU 54 HA LEU 54 2.941 -6.803 1.904 424 HB2 LEU 54 2HB LEU 54 2.275 -4.742 4.010 425 HB3 LEU 54 1HB LEU 54 3.307 -4.490 2.614 426 HG LEU 54 HG LEU 54 0.325 -4.985 2.587 427 HD11 LEU 54 1HD1 LEU 54 0.963 -2.734 3.254 428 HD12 LEU 54 2HD1 LEU 54 0.226 -2.730 1.651 429 HD13 LEU 54 3HD1 LEU 54 1.977 -2.580 1.818 430 HD21 LEU 54 3HD2 LEU 54 2.228 -4.633 0.267 431 HD22 LEU 54 1HD2 LEU 54 0.467 -4.677 0.156 432 HD23 LEU 54 2HD2 LEU 54 1.353 -6.107 0.686 433 H GLU 55 H GLU 55 5.116 -6.908 2.124 434 HA GLU 55 HA GLU 55 6.231 -7.243 4.832 435 HB2 GLU 55 2HB GLU 55 6.536 -9.172 3.313 436 HB3 GLU 55 1HB GLU 55 7.366 -8.134 2.164 437 HG2 GLU 55 2HG GLU 55 8.950 -9.458 3.426 438 HG3 GLU 55 1HG GLU 55 9.150 -7.744 3.786 439 H LYS 56 H LYS 56 8.456 -6.335 5.141 440 HA LYS 56 HA LYS 56 8.548 -3.645 3.965 441 HB2 LYS 56 2HB LYS 56 9.929 -3.047 5.918 442 HB3 LYS 56 1HB LYS 56 8.369 -3.709 6.386 443 HG2 LYS 56 2HG LYS 56 9.422 -5.866 6.880 444 HG3 LYS 56 1HG LYS 56 10.990 -5.211 6.396 445 HD2 LYS 56 2HD LYS 56 10.775 -3.502 8.192 446 HD3 LYS 56 1HD LYS 56 9.279 -4.280 8.709 447 HE2 LYS 56 2HE LYS 56 12.014 -5.562 8.649 448 HE3 LYS 56 1HE LYS 56 11.187 -4.970 10.086 449 HZ1 LYS 56 3HZ LYS 56 9.423 -6.601 9.652 450 HZ2 LYS 56 1HZ LYS 56 10.926 -7.329 9.909 451 HZ3 LYS 56 2HZ LYS 56 10.306 -7.206 8.342 452 H VAL 57 H VAL 57 10.241 -2.914 2.813 453 HA VAL 57 HA VAL 57 12.657 -4.609 2.583 454 HB VAL 57 HB VAL 57 11.401 -2.874 0.435 455 HG11 VAL 57 1HG1 VAL 57 13.832 -2.861 0.258 456 HG12 VAL 57 2HG1 VAL 57 13.130 -3.801 -1.055 457 HG13 VAL 57 3HG1 VAL 57 13.867 -4.624 0.319 458 HG21 VAL 57 3HG2 VAL 57 10.961 -4.978 -0.742 459 HG22 VAL 57 1HG2 VAL 57 10.147 -4.945 0.824 460 HG23 VAL 57 2HG2 VAL 57 11.626 -5.885 0.617 461 H ASN 58 H ASN 58 14.539 -3.627 3.149 462 HA ASN 58 HA ASN 58 15.149 -0.908 2.654 463 HB2 ASN 58 2HB ASN 58 15.227 -0.104 5.019 464 HB3 ASN 58 1HB ASN 58 13.596 -0.391 4.425 465 HD21 ASN 58 1HD2 ASN 58 12.825 -0.582 6.521 466 HD22 ASN 58 2HD2 ASN 58 13.118 -1.980 7.489 467 H ALA 59 H ALA 59 17.111 -0.212 4.192 468 HA ALA 59 HA ALA 59 19.046 -2.403 4.195 469 HB1 ALA 59 3HB ALA 59 20.718 -0.680 4.597 470 HB2 ALA 59 1HB ALA 59 19.450 0.527 4.816 471 HB3 ALA 59 2HB ALA 59 19.685 -0.231 3.240 472 H GLY 60 H GLY 60 17.419 -0.284 6.508 473 HA2 GLY 60 2HA GLY 60 16.978 -1.649 8.643 474 HA3 GLY 60 1HA GLY 60 18.729 -1.700 8.743 475 H LYS 61 H LYS 61 19.831 0.462 8.831 476 HA LYS 61 HA LYS 61 18.398 2.100 10.798 477 HB2 LYS 61 2HB LYS 61 20.544 1.233 11.505 478 HB3 LYS 61 1HB LYS 61 21.334 1.920 10.092 479 HG2 LYS 61 2HG LYS 61 20.830 4.179 10.904 480 HG3 LYS 61 1HG LYS 61 20.043 3.488 12.326 481 HD2 LYS 61 2HD LYS 61 22.151 2.480 13.028 482 HD3 LYS 61 1HD LYS 61 22.947 3.089 11.575 483 HE2 LYS 61 2HE LYS 61 23.456 4.496 13.505 484 HE3 LYS 61 1HE LYS 61 22.527 5.391 12.306 485 HZ1 LYS 61 3HZ LYS 61 20.547 5.070 13.630 486 HZ2 LYS 61 1HZ LYS 61 21.754 5.792 14.569 487 HZ3 LYS 61 2HZ LYS 61 21.401 4.147 14.758 488 H GLY 62 H GLY 62 17.655 4.089 10.356 489 HA2 GLY 62 2HA GLY 62 17.420 6.179 9.424 490 HA3 GLY 62 1HA GLY 62 19.098 6.048 8.927 491 H VAL 63 H VAL 63 16.277 4.119 7.922 492 HA VAL 63 HA VAL 63 16.580 5.172 5.183 493 HB VAL 63 HB VAL 63 16.271 2.873 4.278 494 HG11 VAL 63 1HG1 VAL 63 18.700 3.182 6.050 495 HG12 VAL 63 2HG1 VAL 63 18.514 3.864 4.436 496 HG13 VAL 63 3HG1 VAL 63 18.563 2.115 4.652 497 HG21 VAL 63 3HG2 VAL 63 16.684 2.018 7.152 498 HG22 VAL 63 1HG2 VAL 63 16.662 0.937 5.758 499 HG23 VAL 63 2HG2 VAL 63 15.207 1.824 6.208 500 HA PRO 64 HA PRO 64 12.117 5.179 5.280 501 HB2 PRO 64 2HB PRO 64 11.528 5.271 2.654 502 HB3 PRO 64 1HB PRO 64 12.291 6.630 3.488 503 HG2 PRO 64 2HG PRO 64 13.538 4.540 1.739 504 HG3 PRO 64 1HG PRO 64 13.843 6.287 1.794 505 HD2 PRO 64 2HD PRO 64 15.436 4.405 3.011 506 HD3 PRO 64 1HD PRO 64 15.313 6.095 3.540 507 H GLY 65 H GLY 65 10.961 3.435 5.892 508 HA2 GLY 65 2HA GLY 65 11.317 0.799 5.020 509 HA3 GLY 65 1HA GLY 65 9.885 1.408 5.832 510 H LEU 66 H LEU 66 11.186 0.263 2.903 511 HA LEU 66 HA LEU 66 9.026 1.234 1.222 512 HB2 LEU 66 2HB LEU 66 11.223 -0.767 0.647 513 HB3 LEU 66 1HB LEU 66 10.126 -0.091 -0.544 514 HG LEU 66 HG LEU 66 12.104 1.539 1.070 515 HD11 LEU 66 1HD1 LEU 66 13.249 0.007 -0.479 516 HD12 LEU 66 2HD1 LEU 66 13.425 1.695 -0.959 517 HD13 LEU 66 3HD1 LEU 66 12.285 0.652 -1.810 518 HD21 LEU 66 3HD2 LEU 66 10.368 2.261 -1.294 519 HD22 LEU 66 1HD2 LEU 66 11.586 3.307 -0.557 520 HD23 LEU 66 2HD2 LEU 66 10.163 2.823 0.366 521 H TRP 67 H TRP 67 7.541 -0.205 0.092 522 HA TRP 67 HA TRP 67 6.771 -2.484 1.801 523 HB2 TRP 67 2HB TRP 67 5.045 -0.705 0.057 524 HB3 TRP 67 1HB TRP 67 4.459 -2.096 0.968 525 HD1 TRP 67 HD1 TRP 67 5.257 1.559 1.341 526 HE1 TRP 67 HE1 TRP 67 4.819 2.296 3.767 527 HE3 TRP 67 HE3 TRP 67 4.619 -3.039 3.493 528 HZ2 TRP 67 HZ2 TRP 67 4.273 1.094 6.257 529 HZ3 TRP 67 HZ3 TRP 67 4.144 -3.155 5.902 530 HH2 TRP 67 HH2 TRP 67 3.974 -1.127 7.256 531 H ARG 68 H ARG 68 6.486 -4.468 0.973 532 HA ARG 68 HA ARG 68 5.988 -4.887 -1.854 533 HB2 ARG 68 2HB ARG 68 8.457 -4.785 -1.731 534 HB3 ARG 68 1HB ARG 68 8.445 -6.069 -0.529 535 HG2 ARG 68 2HG ARG 68 7.748 -7.678 -2.086 536 HG3 ARG 68 1HG ARG 68 7.265 -6.452 -3.262 537 HD2 ARG 68 2HD ARG 68 9.727 -5.778 -3.327 538 HD3 ARG 68 1HD ARG 68 10.046 -7.283 -2.462 539 HE ARG 68 HE ARG 68 8.689 -8.225 -4.521 540 HH11 ARG 68 1HH1 ARG 68 11.169 -5.825 -4.497 541 HH12 ARG 68 2HH1 ARG 68 11.696 -6.200 -6.097 542 HH21 ARG 68 1HH2 ARG 68 9.366 -8.684 -6.569 543 HH22 ARG 68 2HH2 ARG 68 10.676 -7.797 -7.263 544 H LEU 69 H LEU 69 4.394 -6.369 -1.931 545 HA LEU 69 HA LEU 69 3.517 -7.637 0.448 546 HB2 LEU 69 2HB LEU 69 1.823 -8.746 -1.076 547 HB3 LEU 69 1HB LEU 69 1.823 -6.997 -1.019 548 HG LEU 69 HG LEU 69 3.155 -7.034 -3.179 549 HD11 LEU 69 1HD1 LEU 69 2.320 -9.933 -3.180 550 HD12 LEU 69 2HD1 LEU 69 3.973 -9.316 -3.125 551 HD13 LEU 69 3HD1 LEU 69 2.982 -9.055 -4.559 552 HD21 LEU 69 3HD2 LEU 69 0.784 -6.488 -3.094 553 HD22 LEU 69 1HD2 LEU 69 0.371 -8.199 -3.203 554 HD23 LEU 69 2HD2 LEU 69 1.170 -7.395 -4.556 555 H LEU 70 H LEU 70 2.769 -10.039 0.342 556 HA LEU 70 HA LEU 70 5.053 -11.654 0.521 557 HB2 LEU 70 2HB LEU 70 2.183 -12.545 0.184 558 HB3 LEU 70 1HB LEU 70 3.503 -13.538 0.774 559 HG LEU 70 HG LEU 70 2.332 -11.116 2.157 560 HD11 LEU 70 1HD1 LEU 70 1.634 -12.738 3.865 561 HD12 LEU 70 2HD1 LEU 70 2.228 -14.053 2.850 562 HD13 LEU 70 3HD1 LEU 70 0.884 -13.051 2.300 563 HD21 LEU 70 3HD2 LEU 70 4.724 -11.220 2.572 564 HD22 LEU 70 1HD2 LEU 70 4.597 -12.924 3.017 565 HD23 LEU 70 2HD2 LEU 70 3.836 -11.688 4.021 566 H GLU 71 H GLU 71 6.244 -11.584 -1.352 567 HA GLU 71 HA GLU 71 5.073 -12.547 -3.859 568 HB2 GLU 71 2HB GLU 71 6.416 -10.456 -3.833 569 HB3 GLU 71 1HB GLU 71 7.811 -11.377 -3.291 570 HG2 GLU 71 2HG GLU 71 7.719 -12.679 -5.394 571 HG3 GLU 71 1HG GLU 71 6.393 -11.651 -5.938 Start of MODEL 3 1 H1 MET 1 1H MET 1 -9.369 -3.587 10.924 2 H2 MET 1 2H MET 1 -9.895 -4.764 9.833 3 H3 MET 1 3H MET 1 -10.732 -3.298 9.965 4 HA MET 1 HA MET 1 -8.821 -2.089 9.138 5 HB2 MET 1 2HB MET 1 -6.926 -3.393 8.160 6 HB3 MET 1 1HB MET 1 -7.043 -3.508 9.909 7 HG2 MET 1 2HG MET 1 -6.502 -5.662 9.000 8 HG3 MET 1 1HG MET 1 -8.128 -5.708 9.671 9 HE1 MET 1 3HE MET 1 -5.936 -5.744 6.428 10 HE2 MET 1 1HE MET 1 -6.841 -4.241 6.229 11 HE3 MET 1 2HE MET 1 -7.151 -5.608 5.159 12 H SER 2 H SER 2 -10.980 -4.494 8.183 13 HA SER 2 HA SER 2 -10.327 -4.502 5.367 14 HB2 SER 2 2HB SER 2 -12.713 -5.671 6.827 15 HB3 SER 2 1HB SER 2 -12.325 -5.944 5.129 16 HG SER 2 HG SER 2 -10.259 -6.456 6.898 17 H GLU 3 H GLU 3 -10.505 -2.291 4.835 18 HA GLU 3 HA GLU 3 -13.256 -1.243 4.658 19 HB2 GLU 3 2HB GLU 3 -11.617 0.232 5.764 20 HB3 GLU 3 1HB GLU 3 -10.601 0.191 4.331 21 HG2 GLU 3 2HG GLU 3 -11.851 2.271 4.464 22 HG3 GLU 3 1HG GLU 3 -12.336 1.337 3.051 23 H SER 4 H SER 4 -14.026 -0.430 2.632 24 HA SER 4 HA SER 4 -13.680 -2.160 0.498 25 HB2 SER 4 2HB SER 4 -15.642 -0.681 0.769 26 HB3 SER 4 1HB SER 4 -14.648 0.705 0.327 27 HG SER 4 HG SER 4 -14.328 -0.278 -1.722 28 H ILE 5 H ILE 5 -11.964 0.866 1.107 29 HA ILE 5 HA ILE 5 -10.735 1.058 -1.452 30 HB ILE 5 HB ILE 5 -10.948 2.976 0.107 31 HG12 ILE 5 2HG1 ILE 5 -8.682 3.926 -0.315 32 HG13 ILE 5 1HG1 ILE 5 -8.121 2.323 -0.778 33 HG21 ILE 5 1HG2 ILE 5 -10.402 1.847 2.196 34 HG22 ILE 5 2HG2 ILE 5 -9.350 3.241 1.948 35 HG23 ILE 5 3HG2 ILE 5 -8.741 1.613 1.653 36 HD11 ILE 5 3HD1 ILE 5 -9.663 2.307 -2.656 37 HD12 ILE 5 1HD1 ILE 5 -8.612 3.722 -2.715 38 HD13 ILE 5 2HD1 ILE 5 -10.283 3.889 -2.176 39 H VAL 6 H VAL 6 -9.874 -0.698 1.465 40 HA VAL 6 HA VAL 6 -7.133 -1.065 1.050 41 HB VAL 6 HB VAL 6 -9.080 -2.972 2.372 42 HG11 VAL 6 1HG1 VAL 6 -7.113 -3.855 3.561 43 HG12 VAL 6 2HG1 VAL 6 -6.067 -2.817 2.590 44 HG13 VAL 6 3HG1 VAL 6 -6.992 -4.107 1.819 45 HG21 VAL 6 3HG2 VAL 6 -8.317 -1.916 4.472 46 HG22 VAL 6 1HG2 VAL 6 -9.130 -0.772 3.404 47 HG23 VAL 6 2HG2 VAL 6 -7.370 -0.761 3.534 48 H THR 7 H THR 7 -9.889 -2.894 -0.216 49 HA THR 7 HA THR 7 -8.588 -4.998 -1.476 50 HB THR 7 HB THR 7 -10.958 -3.458 -2.583 51 HG1 THR 7 HG1 THR 7 -12.208 -4.729 -1.296 52 HG21 THR 7 3HG2 THR 7 -10.050 -6.308 -3.048 53 HG22 THR 7 1HG2 THR 7 -9.989 -4.992 -4.223 54 HG23 THR 7 2HG2 THR 7 -11.546 -5.597 -3.656 55 H LYS 8 H LYS 8 -9.234 -1.725 -2.789 56 HA LYS 8 HA LYS 8 -7.862 -2.152 -5.233 57 HB2 LYS 8 2HB LYS 8 -9.477 -0.295 -4.933 58 HB3 LYS 8 1HB LYS 8 -8.353 0.490 -3.826 59 HG2 LYS 8 2HG LYS 8 -6.687 0.614 -5.658 60 HG3 LYS 8 1HG LYS 8 -7.879 -0.082 -6.753 61 HD2 LYS 8 2HD LYS 8 -9.356 1.863 -6.338 62 HD3 LYS 8 1HD LYS 8 -8.107 2.565 -5.303 63 HE2 LYS 8 2HE LYS 8 -6.551 2.573 -7.215 64 HE3 LYS 8 1HE LYS 8 -7.823 1.914 -8.242 65 HZ1 LYS 8 3HZ LYS 8 -9.135 3.939 -7.710 66 HZ2 LYS 8 1HZ LYS 8 -7.721 4.243 -8.586 67 HZ3 LYS 8 2HZ LYS 8 -7.777 4.572 -6.934 68 H ILE 9 H ILE 9 -6.813 -0.863 -2.091 69 HA ILE 9 HA ILE 9 -4.268 0.033 -2.750 70 HB ILE 9 HB ILE 9 -5.197 -1.310 -0.202 71 HG12 ILE 9 2HG1 ILE 9 -4.837 1.615 -0.932 72 HG13 ILE 9 1HG1 ILE 9 -6.376 0.777 -0.759 73 HG21 ILE 9 1HG2 ILE 9 -3.227 -0.300 0.882 74 HG22 ILE 9 2HG2 ILE 9 -2.646 0.234 -0.695 75 HG23 ILE 9 3HG2 ILE 9 -2.777 -1.489 -0.340 76 HD11 ILE 9 3HD1 ILE 9 -5.906 0.420 1.614 77 HD12 ILE 9 1HD1 ILE 9 -5.901 2.131 1.185 78 HD13 ILE 9 2HD1 ILE 9 -4.375 1.281 1.433 79 H ILE 10 H ILE 10 -5.227 -3.270 -1.769 80 HA ILE 10 HA ILE 10 -2.714 -4.490 -2.020 81 HB ILE 10 HB ILE 10 -5.427 -5.730 -2.549 82 HG12 ILE 10 2HG1 ILE 10 -3.768 -5.630 -0.010 83 HG13 ILE 10 1HG1 ILE 10 -5.235 -4.702 -0.308 84 HG21 ILE 10 1HG2 ILE 10 -2.765 -7.028 -1.939 85 HG22 ILE 10 2HG2 ILE 10 -3.657 -7.118 -3.458 86 HG23 ILE 10 3HG2 ILE 10 -4.313 -7.870 -2.006 87 HD11 ILE 10 3HD1 ILE 10 -6.515 -6.783 -0.440 88 HD12 ILE 10 1HD1 ILE 10 -5.682 -6.619 1.105 89 HD13 ILE 10 2HD1 ILE 10 -5.041 -7.701 -0.130 90 H SER 11 H SER 11 -5.286 -4.037 -4.446 91 HA SER 11 HA SER 11 -3.997 -5.288 -6.616 92 HB2 SER 11 2HB SER 11 -6.350 -4.735 -6.751 93 HB3 SER 11 1HB SER 11 -6.000 -3.014 -6.594 94 HG SER 11 HG SER 11 -5.552 -4.738 -8.782 95 H ILE 12 H ILE 12 -3.807 -1.934 -5.464 96 HA ILE 12 HA ILE 12 -2.223 -0.884 -7.540 97 HB ILE 12 HB ILE 12 -2.314 -0.072 -4.619 98 HG12 ILE 12 2HG1 ILE 12 -3.736 1.105 -7.028 99 HG13 ILE 12 1HG1 ILE 12 -4.488 0.068 -5.822 100 HG21 ILE 12 1HG2 ILE 12 -0.272 0.745 -5.689 101 HG22 ILE 12 2HG2 ILE 12 -1.378 2.075 -5.349 102 HG23 ILE 12 3HG2 ILE 12 -1.225 1.452 -6.992 103 HD11 ILE 12 3HD1 ILE 12 -5.029 2.392 -5.423 104 HD12 ILE 12 1HD1 ILE 12 -3.316 2.797 -5.332 105 HD13 ILE 12 2HD1 ILE 12 -4.042 1.758 -4.106 106 H VAL 13 H VAL 13 -1.319 -2.419 -4.457 107 HA VAL 13 HA VAL 13 1.467 -2.204 -4.692 108 HB VAL 13 HB VAL 13 -0.119 -4.435 -3.384 109 HG11 VAL 13 1HG1 VAL 13 2.772 -3.628 -2.999 110 HG12 VAL 13 2HG1 VAL 13 2.191 -5.115 -3.749 111 HG13 VAL 13 3HG1 VAL 13 1.903 -4.824 -2.034 112 HG21 VAL 13 3HG2 VAL 13 0.235 -3.169 -1.304 113 HG22 VAL 13 1HG2 VAL 13 -0.696 -2.245 -2.482 114 HG23 VAL 13 2HG2 VAL 13 1.009 -1.879 -2.223 115 H GLN 14 H GLN 14 -0.698 -4.831 -5.758 116 HA GLN 14 HA GLN 14 1.244 -6.489 -6.928 117 HB2 GLN 14 2HB GLN 14 -1.045 -7.225 -6.458 118 HB3 GLN 14 1HB GLN 14 -1.671 -6.115 -7.670 119 HG2 GLN 14 2HG GLN 14 -0.570 -7.365 -9.430 120 HG3 GLN 14 1HG GLN 14 0.171 -8.435 -8.241 121 HE21 GLN 14 1HE2 GLN 14 -0.781 -10.251 -9.133 122 HE22 GLN 14 2HE2 GLN 14 -2.464 -10.585 -8.983 123 H GLU 15 H GLU 15 -0.746 -3.929 -8.387 124 HA GLU 15 HA GLU 15 0.150 -4.129 -11.029 125 HB2 GLU 15 2HB GLU 15 -1.820 -2.828 -10.253 126 HB3 GLU 15 1HB GLU 15 -0.741 -1.644 -9.535 127 HG2 GLU 15 2HG GLU 15 -0.376 -2.194 -12.426 128 HG3 GLU 15 1HG GLU 15 -1.853 -1.359 -11.955 129 H ARG 16 H ARG 16 1.335 -1.952 -8.451 130 HA ARG 16 HA ARG 16 3.451 -0.852 -9.935 131 HB2 ARG 16 2HB ARG 16 3.099 -1.138 -6.953 132 HB3 ARG 16 1HB ARG 16 4.395 -0.210 -7.699 133 HG2 ARG 16 2HG ARG 16 1.449 0.307 -8.094 134 HG3 ARG 16 1HG ARG 16 2.490 1.183 -6.974 135 HD2 ARG 16 2HD ARG 16 3.253 2.514 -8.607 136 HD3 ARG 16 1HD ARG 16 3.642 1.138 -9.635 137 HE ARG 16 HE ARG 16 1.244 1.188 -10.314 138 HH11 ARG 16 1HH1 ARG 16 2.729 4.056 -9.087 139 HH12 ARG 16 2HH1 ARG 16 1.704 5.096 -10.011 140 HH21 ARG 16 1HH2 ARG 16 -0.068 2.518 -11.446 141 HH22 ARG 16 2HH2 ARG 16 0.119 4.240 -11.324 142 H GLN 17 H GLN 17 3.328 -3.758 -7.903 143 HA GLN 17 HA GLN 17 6.064 -4.424 -8.069 144 HB2 GLN 17 2HB GLN 17 3.565 -5.999 -7.580 145 HB3 GLN 17 1HB GLN 17 5.056 -6.868 -7.913 146 HG2 GLN 17 2HG GLN 17 6.124 -5.670 -6.017 147 HG3 GLN 17 1HG GLN 17 4.558 -4.938 -5.652 148 HE21 GLN 17 1HE2 GLN 17 6.286 -6.839 -4.130 149 HE22 GLN 17 2HE2 GLN 17 5.258 -8.180 -3.759 150 H ASN 18 H ASN 18 3.502 -4.644 -10.416 151 HA ASN 18 HA ASN 18 4.988 -6.443 -12.131 152 HB2 ASN 18 2HB ASN 18 2.378 -4.979 -12.507 153 HB3 ASN 18 1HB ASN 18 3.095 -6.005 -13.748 154 HD21 ASN 18 1HD2 ASN 18 0.583 -6.380 -12.408 155 HD22 ASN 18 2HD2 ASN 18 0.674 -7.899 -11.591 156 H MET 19 H MET 19 4.701 -2.966 -11.800 157 HA MET 19 HA MET 19 6.064 -2.559 -14.352 158 HB2 MET 19 2HB MET 19 6.029 -0.177 -13.851 159 HB3 MET 19 1HB MET 19 4.432 -0.881 -13.654 160 HG2 MET 19 2HG MET 19 4.524 -0.725 -11.326 161 HG3 MET 19 1HG MET 19 6.268 -0.466 -11.318 162 HE1 MET 19 3HE MET 19 7.449 1.795 -11.865 163 HE2 MET 19 1HE MET 19 6.632 3.172 -12.606 164 HE3 MET 19 2HE MET 19 6.804 1.661 -13.502 165 H ASP 20 H ASP 20 6.916 -2.436 -10.899 166 HA ASP 20 HA ASP 20 9.668 -1.710 -11.528 167 HB2 ASP 20 2HB ASP 20 8.220 -2.156 -8.913 168 HB3 ASP 20 1HB ASP 20 9.947 -1.827 -9.007 169 H ASP 21 H ASP 21 7.906 -4.479 -10.190 170 HA ASP 21 HA ASP 21 8.366 -6.684 -10.036 171 HB2 ASP 21 2HB ASP 21 10.514 -6.057 -12.072 172 HB3 ASP 21 1HB ASP 21 9.991 -7.678 -11.623 173 H GLY 22 H GLY 22 11.722 -5.530 -10.485 174 HA2 GLY 22 2HA GLY 22 12.738 -7.226 -8.441 175 HA3 GLY 22 1HA GLY 22 13.612 -5.916 -9.216 176 H ALA 23 H ALA 23 11.546 -3.944 -8.367 177 HA ALA 23 HA ALA 23 12.492 -3.611 -5.596 178 HB1 ALA 23 3HB ALA 23 11.456 -1.530 -7.523 179 HB2 ALA 23 1HB ALA 23 13.151 -1.846 -7.160 180 HB3 ALA 23 2HB ALA 23 12.084 -1.226 -5.902 181 HA PRO 24 HA PRO 24 8.286 -3.951 -4.123 182 HB2 PRO 24 2HB PRO 24 8.978 -2.323 -1.804 183 HB3 PRO 24 1HB PRO 24 8.628 -4.049 -1.884 184 HG2 PRO 24 2HG PRO 24 11.111 -3.059 -1.353 185 HG3 PRO 24 1HG PRO 24 10.834 -4.623 -2.144 186 HD2 PRO 24 2HD PRO 24 11.584 -1.984 -3.360 187 HD3 PRO 24 1HD PRO 24 12.166 -3.618 -3.758 188 H VAL 25 H VAL 25 6.529 -2.494 -3.174 189 HA VAL 25 HA VAL 25 6.240 -0.267 -4.984 190 HB VAL 25 HB VAL 25 4.320 -1.261 -2.869 191 HG11 VAL 25 1HG1 VAL 25 2.598 -0.175 -4.272 192 HG12 VAL 25 2HG1 VAL 25 3.871 0.468 -5.309 193 HG13 VAL 25 3HG1 VAL 25 3.763 0.980 -3.624 194 HG21 VAL 25 3HG2 VAL 25 4.899 -3.055 -4.399 195 HG22 VAL 25 1HG2 VAL 25 4.557 -2.019 -5.786 196 HG23 VAL 25 2HG2 VAL 25 3.251 -2.510 -4.706 197 H LYS 26 H LYS 26 5.734 1.889 -4.396 198 HA LYS 26 HA LYS 26 7.026 2.725 -1.895 199 HB2 LYS 26 2HB LYS 26 6.348 4.368 -4.352 200 HB3 LYS 26 1HB LYS 26 7.268 4.920 -2.964 201 HG2 LYS 26 2HG LYS 26 8.844 4.467 -4.666 202 HG3 LYS 26 1HG LYS 26 8.972 3.133 -3.514 203 HD2 LYS 26 2HD LYS 26 7.566 1.743 -4.987 204 HD3 LYS 26 1HD LYS 26 7.464 3.074 -6.142 205 HE2 LYS 26 2HE LYS 26 10.027 1.732 -5.274 206 HE3 LYS 26 1HE LYS 26 9.142 1.349 -6.750 207 HZ1 LYS 26 3HZ LYS 26 10.273 4.014 -6.095 208 HZ2 LYS 26 1HZ LYS 26 9.504 3.577 -7.535 209 HZ3 LYS 26 2HZ LYS 26 10.988 2.883 -7.126 210 H THR 27 H THR 27 6.032 4.213 -0.489 211 HA THR 27 HA THR 27 3.350 3.777 0.070 212 HB THR 27 HB THR 27 5.044 6.135 0.939 213 HG1 THR 27 HG1 THR 27 5.873 4.793 2.370 214 HG21 THR 27 3HG2 THR 27 2.500 5.026 2.151 215 HG22 THR 27 1HG2 THR 27 2.669 6.581 1.335 216 HG23 THR 27 2HG2 THR 27 3.509 6.289 2.857 217 H ARG 28 H ARG 28 4.779 6.361 -1.883 218 HA ARG 28 HA ARG 28 2.522 8.042 -2.028 219 HB2 ARG 28 2HB ARG 28 4.839 7.652 -3.921 220 HB3 ARG 28 1HB ARG 28 3.576 8.840 -4.213 221 HG2 ARG 28 2HG ARG 28 5.445 8.758 -1.847 222 HG3 ARG 28 1HG ARG 28 5.502 9.890 -3.200 223 HD2 ARG 28 2HD ARG 28 3.359 9.654 -1.084 224 HD3 ARG 28 1HD ARG 28 4.466 11.001 -1.343 225 HE ARG 28 HE ARG 28 2.489 10.291 -3.407 226 HH11 ARG 28 1HH1 ARG 28 3.718 12.572 -1.123 227 HH12 ARG 28 2HH1 ARG 28 2.737 13.857 -1.737 228 HH21 ARG 28 1HH2 ARG 28 1.255 11.944 -4.170 229 HH22 ARG 28 2HH2 ARG 28 1.405 13.521 -3.468 230 H ASP 29 H ASP 29 3.465 5.288 -4.084 231 HA ASP 29 HA ASP 29 1.676 5.668 -6.171 232 HB2 ASP 29 2HB ASP 29 2.695 3.078 -4.989 233 HB3 ASP 29 1HB ASP 29 1.842 3.195 -6.526 234 H ILE 30 H ILE 30 1.105 3.972 -3.090 235 HA ILE 30 HA ILE 30 -1.539 3.138 -3.697 236 HB ILE 30 HB ILE 30 -0.217 3.612 -1.014 237 HG12 ILE 30 2HG1 ILE 30 -0.330 1.059 -0.944 238 HG13 ILE 30 1HG1 ILE 30 -0.749 1.117 -2.652 239 HG21 ILE 30 1HG2 ILE 30 -2.616 3.877 -0.746 240 HG22 ILE 30 2HG2 ILE 30 -2.091 2.358 -0.021 241 HG23 ILE 30 3HG2 ILE 30 -2.906 2.350 -1.585 242 HD11 ILE 30 3HD1 ILE 30 1.392 2.175 -3.146 243 HD12 ILE 30 1HD1 ILE 30 1.608 0.638 -2.309 244 HD13 ILE 30 2HD1 ILE 30 1.803 2.153 -1.429 245 H ALA 31 H ALA 31 -0.320 5.959 -1.886 246 HA ALA 31 HA ALA 31 -2.787 7.081 -1.183 247 HB1 ALA 31 3HB ALA 31 -0.669 7.769 -0.189 248 HB2 ALA 31 1HB ALA 31 -1.540 9.162 -0.832 249 HB3 ALA 31 2HB ALA 31 -0.170 8.490 -1.719 250 H ASP 32 H ASP 32 -0.663 8.069 -3.873 251 HA ASP 32 HA ASP 32 -2.397 9.946 -5.006 252 HB2 ASP 32 2HB ASP 32 -0.137 8.336 -6.206 253 HB3 ASP 32 1HB ASP 32 -0.949 9.645 -7.059 254 H ALA 33 H ALA 33 -2.044 6.474 -5.760 255 HA ALA 33 HA ALA 33 -3.851 6.571 -7.992 256 HB1 ALA 33 3HB ALA 33 -2.061 4.910 -7.865 257 HB2 ALA 33 1HB ALA 33 -3.642 4.144 -8.029 258 HB3 ALA 33 2HB ALA 33 -2.835 4.177 -6.459 259 H ALA 34 H ALA 34 -4.205 5.767 -4.565 260 HA ALA 34 HA ALA 34 -6.949 4.872 -4.913 261 HB1 ALA 34 3HB ALA 34 -6.945 4.511 -2.506 262 HB2 ALA 34 1HB ALA 34 -5.392 5.337 -2.369 263 HB3 ALA 34 2HB ALA 34 -5.501 3.808 -3.240 264 H GLY 35 H GLY 35 -5.349 7.862 -4.266 265 HA2 GLY 35 2HA GLY 35 -6.306 9.993 -4.221 266 HA3 GLY 35 1HA GLY 35 -7.898 9.255 -4.104 267 H LEU 36 H LEU 36 -5.405 8.252 -1.908 268 HA LEU 36 HA LEU 36 -6.936 9.443 0.312 269 HB2 LEU 36 2HB LEU 36 -4.874 7.232 0.383 270 HB3 LEU 36 1HB LEU 36 -5.866 7.764 1.727 271 HG LEU 36 HG LEU 36 -6.872 6.409 -0.784 272 HD11 LEU 36 1HD1 LEU 36 -5.665 4.879 0.674 273 HD12 LEU 36 2HD1 LEU 36 -7.395 4.540 0.720 274 HD13 LEU 36 3HD1 LEU 36 -6.630 5.403 2.056 275 HD21 LEU 36 3HD2 LEU 36 -8.516 7.998 0.076 276 HD22 LEU 36 1HD2 LEU 36 -8.371 7.291 1.689 277 HD23 LEU 36 2HD2 LEU 36 -9.040 6.338 0.362 278 H SER 37 H SER 37 -5.496 9.893 2.321 279 HA SER 37 HA SER 37 -3.256 11.608 1.497 280 HB2 SER 37 2HB SER 37 -4.972 12.673 2.877 281 HB3 SER 37 1HB SER 37 -4.753 11.455 4.133 282 HG SER 37 HG SER 37 -3.440 13.732 3.816 283 H ILE 38 H ILE 38 -1.219 11.514 2.541 284 HA ILE 38 HA ILE 38 -0.094 9.000 2.699 285 HB ILE 38 HB ILE 38 0.924 11.535 3.992 286 HG12 ILE 38 2HG1 ILE 38 0.567 11.793 1.588 287 HG13 ILE 38 1HG1 ILE 38 2.290 11.736 1.932 288 HG21 ILE 38 1HG2 ILE 38 2.063 9.607 4.941 289 HG22 ILE 38 2HG2 ILE 38 3.153 10.488 3.873 290 HG23 ILE 38 3HG2 ILE 38 2.409 8.987 3.326 291 HD11 ILE 38 3HD1 ILE 38 1.712 10.464 -0.066 292 HD12 ILE 38 1HD1 ILE 38 0.640 9.441 0.895 293 HD13 ILE 38 2HD1 ILE 38 2.379 9.424 1.197 294 H TYR 39 H TYR 39 -0.990 11.060 5.491 295 HA TYR 39 HA TYR 39 -0.179 9.424 7.560 296 HB2 TYR 39 2HB TYR 39 -0.982 11.618 8.058 297 HB3 TYR 39 1HB TYR 39 -2.561 11.273 7.361 298 HD1 TYR 39 HD1 TYR 39 -0.326 9.947 10.075 299 HD2 TYR 39 HD2 TYR 39 -4.298 10.867 8.837 300 HE1 TYR 39 HE1 TYR 39 -1.165 9.307 12.297 301 HE2 TYR 39 HE2 TYR 39 -5.143 10.230 11.054 302 HH TYR 39 HH TYR 39 -4.528 8.930 12.954 303 H GLN 40 H GLN 40 -3.367 9.337 5.939 304 HA GLN 40 HA GLN 40 -4.344 7.169 7.507 305 HB2 GLN 40 2HB GLN 40 -5.814 8.783 6.327 306 HB3 GLN 40 1HB GLN 40 -5.297 8.105 4.788 307 HG2 GLN 40 2HG GLN 40 -6.230 5.931 5.448 308 HG3 GLN 40 1HG GLN 40 -6.779 6.637 6.966 309 HE21 GLN 40 1HE2 GLN 40 -7.296 6.456 3.541 310 HE22 GLN 40 2HE2 GLN 40 -8.853 7.200 3.539 311 H VAL 41 H VAL 41 -2.782 7.354 4.336 312 HA VAL 41 HA VAL 41 -3.160 4.698 3.515 313 HB VAL 41 HB VAL 41 -0.941 6.638 2.831 314 HG11 VAL 41 1HG1 VAL 41 -0.521 5.187 0.868 315 HG12 VAL 41 2HG1 VAL 41 -1.637 3.995 1.534 316 HG13 VAL 41 3HG1 VAL 41 -0.148 4.388 2.396 317 HG21 VAL 41 3HG2 VAL 41 -3.176 7.377 2.180 318 HG22 VAL 41 1HG2 VAL 41 -3.453 5.844 1.350 319 HG23 VAL 41 2HG2 VAL 41 -2.218 6.954 0.762 320 H ARG 42 H ARG 42 -0.347 6.165 5.172 321 HA ARG 42 HA ARG 42 1.204 3.846 5.322 322 HB2 ARG 42 2HB ARG 42 2.495 4.955 7.050 323 HB3 ARG 42 1HB ARG 42 2.079 6.103 5.785 324 HG2 ARG 42 2HG ARG 42 0.275 6.993 7.196 325 HG3 ARG 42 1HG ARG 42 0.722 5.858 8.470 326 HD2 ARG 42 2HD ARG 42 2.387 8.117 7.359 327 HD3 ARG 42 1HD ARG 42 1.684 8.005 8.972 328 HE ARG 42 HE ARG 42 4.128 6.822 8.062 329 HH11 ARG 42 1HH1 ARG 42 1.570 6.513 10.350 330 HH12 ARG 42 2HH1 ARG 42 2.523 5.595 11.452 331 HH21 ARG 42 1HH2 ARG 42 5.338 5.659 9.478 332 HH22 ARG 42 2HH2 ARG 42 4.639 5.115 10.964 333 H LEU 43 H LEU 43 -1.368 4.986 7.476 334 HA LEU 43 HA LEU 43 -1.023 3.135 9.560 335 HB2 LEU 43 2HB LEU 43 -3.584 4.364 8.519 336 HB3 LEU 43 1HB LEU 43 -3.426 3.520 10.049 337 HG LEU 43 HG LEU 43 -2.040 6.105 9.310 338 HD11 LEU 43 1HD1 LEU 43 -4.439 6.385 9.678 339 HD12 LEU 43 2HD1 LEU 43 -3.502 7.123 10.975 340 HD13 LEU 43 3HD1 LEU 43 -4.302 5.572 11.239 341 HD21 LEU 43 3HD2 LEU 43 -1.333 6.154 11.661 342 HD22 LEU 43 1HD2 LEU 43 -0.650 4.779 10.792 343 HD23 LEU 43 2HD2 LEU 43 -2.009 4.543 11.892 344 H TYR 44 H TYR 44 -3.072 2.916 6.632 345 HA TYR 44 HA TYR 44 -4.058 0.323 7.026 346 HB2 TYR 44 2HB TYR 44 -3.381 1.724 4.424 347 HB3 TYR 44 1HB TYR 44 -4.286 0.220 4.528 348 HD1 TYR 44 HD2 TYR 44 -6.151 0.715 6.733 349 HD2 TYR 44 HD1 TYR 44 -4.852 3.334 3.637 350 HE1 TYR 44 HE2 TYR 44 -8.253 1.980 6.923 351 HE2 TYR 44 HE1 TYR 44 -6.947 4.601 3.817 352 HH TYR 44 HH TYR 44 -9.244 4.261 4.598 353 H LEU 45 H LEU 45 -1.103 1.393 5.369 354 HA LEU 45 HA LEU 45 -0.234 -1.125 4.468 355 HB2 LEU 45 2HB LEU 45 1.418 1.309 5.160 356 HB3 LEU 45 1HB LEU 45 1.954 -0.044 4.179 357 HG LEU 45 HG LEU 45 -0.315 1.825 3.451 358 HD11 LEU 45 1HD1 LEU 45 2.502 1.700 2.388 359 HD12 LEU 45 2HD1 LEU 45 1.811 2.990 3.374 360 HD13 LEU 45 3HD1 LEU 45 1.201 2.704 1.745 361 HD21 LEU 45 3HD2 LEU 45 1.017 -0.370 1.862 362 HD22 LEU 45 1HD2 LEU 45 -0.198 0.751 1.249 363 HD23 LEU 45 2HD2 LEU 45 -0.621 -0.402 2.513 364 H GLU 46 H GLU 46 0.587 0.653 7.452 365 HA GLU 46 HA GLU 46 2.352 -1.201 8.576 366 HB2 GLU 46 2HB GLU 46 0.375 0.650 9.925 367 HB3 GLU 46 1HB GLU 46 1.617 -0.249 10.786 368 HG2 GLU 46 2HG GLU 46 3.344 0.931 9.482 369 HG3 GLU 46 1HG GLU 46 2.080 1.866 8.685 370 H GLN 47 H GLN 47 -1.177 -0.927 9.046 371 HA GLN 47 HA GLN 47 -1.506 -3.178 10.687 372 HB2 GLN 47 2HB GLN 47 -3.473 -1.965 8.727 373 HB3 GLN 47 1HB GLN 47 -3.886 -3.099 10.007 374 HG2 GLN 47 2HG GLN 47 -2.706 -0.355 10.430 375 HG3 GLN 47 1HG GLN 47 -4.409 -0.770 10.594 376 HE21 GLN 47 1HE2 GLN 47 -2.559 0.315 12.568 377 HE22 GLN 47 2HE2 GLN 47 -2.575 -0.798 13.891 378 H LEU 48 H LEU 48 -1.585 -2.907 7.141 379 HA LEU 48 HA LEU 48 -2.282 -5.559 6.548 380 HB2 LEU 48 2HB LEU 48 -0.618 -3.560 5.016 381 HB3 LEU 48 1HB LEU 48 -1.039 -5.136 4.370 382 HG LEU 48 HG LEU 48 -3.040 -3.015 5.181 383 HD11 LEU 48 1HD1 LEU 48 -3.425 -2.706 2.796 384 HD12 LEU 48 2HD1 LEU 48 -2.152 -3.871 2.425 385 HD13 LEU 48 3HD1 LEU 48 -1.748 -2.344 3.210 386 HD21 LEU 48 3HD2 LEU 48 -4.676 -4.447 4.064 387 HD22 LEU 48 1HD2 LEU 48 -3.908 -5.289 5.408 388 HD23 LEU 48 2HD2 LEU 48 -3.423 -5.649 3.751 389 H HIS 49 H HIS 49 0.929 -4.123 7.148 390 HA HIS 49 HA HIS 49 2.381 -6.536 6.756 391 HB2 HIS 49 2HB HIS 49 3.619 -4.491 6.733 392 HB3 HIS 49 1HB HIS 49 3.025 -4.032 8.325 393 HD1 HIS 49 HD1 HIS 49 5.084 -6.890 6.847 394 HD2 HIS 49 HD2 HIS 49 4.825 -4.565 10.282 395 HE1 HIS 49 HE1 HIS 49 6.964 -7.654 8.321 396 HE2 HIS 49 HE2 HIS 49 6.653 -6.383 10.465 397 H ASP 50 H ASP 50 0.836 -5.098 9.583 398 HA ASP 50 HA ASP 50 1.900 -6.859 11.519 399 HB2 ASP 50 2HB ASP 50 0.917 -4.658 12.041 400 HB3 ASP 50 1HB ASP 50 -0.676 -5.265 11.598 401 H VAL 51 H VAL 51 -1.164 -6.963 9.689 402 HA VAL 51 HA VAL 51 -2.053 -9.374 10.990 403 HB VAL 51 HB VAL 51 -3.910 -9.366 9.389 404 HG11 VAL 51 1HG1 VAL 51 -4.087 -7.992 11.394 405 HG12 VAL 51 2HG1 VAL 51 -4.916 -7.221 10.042 406 HG13 VAL 51 3HG1 VAL 51 -3.331 -6.638 10.553 407 HG21 VAL 51 3HG2 VAL 51 -2.476 -7.027 8.116 408 HG22 VAL 51 1HG2 VAL 51 -4.112 -7.558 7.720 409 HG23 VAL 51 2HG2 VAL 51 -2.741 -8.615 7.394 410 H GLY 52 H GLY 52 0.136 -8.796 8.453 411 HA2 GLY 52 2HA GLY 52 1.498 -10.542 7.582 412 HA3 GLY 52 1HA GLY 52 0.198 -11.680 7.877 413 H VAL 53 H VAL 53 0.398 -8.633 6.028 414 HA VAL 53 HA VAL 53 -0.410 -10.123 3.603 415 HB VAL 53 HB VAL 53 -1.231 -7.305 4.367 416 HG11 VAL 53 1HG1 VAL 53 -2.603 -7.346 2.324 417 HG12 VAL 53 2HG1 VAL 53 -1.911 -8.913 1.897 418 HG13 VAL 53 3HG1 VAL 53 -0.881 -7.479 1.962 419 HG21 VAL 53 3HG2 VAL 53 -3.512 -8.204 4.458 420 HG22 VAL 53 1HG2 VAL 53 -2.458 -9.011 5.621 421 HG23 VAL 53 2HG2 VAL 53 -2.893 -9.821 4.116 422 H LEU 54 H LEU 54 1.307 -7.250 4.832 423 HA LEU 54 HA LEU 54 2.825 -7.141 2.301 424 HB2 LEU 54 2HB LEU 54 2.322 -4.989 4.358 425 HB3 LEU 54 1HB LEU 54 3.391 -4.800 2.982 426 HG LEU 54 HG LEU 54 0.401 -5.242 2.868 427 HD11 LEU 54 1HD1 LEU 54 1.005 -3.002 3.590 428 HD12 LEU 54 2HD1 LEU 54 0.352 -2.969 1.954 429 HD13 LEU 54 3HD1 LEU 54 2.092 -2.826 2.211 430 HD21 LEU 54 3HD2 LEU 54 2.379 -4.843 0.619 431 HD22 LEU 54 1HD2 LEU 54 0.624 -4.903 0.455 432 HD23 LEU 54 2HD2 LEU 54 1.508 -6.332 0.982 433 H GLU 55 H GLU 55 4.990 -7.203 2.276 434 HA GLU 55 HA GLU 55 6.479 -7.809 4.707 435 HB2 GLU 55 2HB GLU 55 6.839 -9.148 2.634 436 HB3 GLU 55 1HB GLU 55 7.380 -7.695 1.806 437 HG2 GLU 55 2HG GLU 55 9.271 -7.524 3.376 438 HG3 GLU 55 1HG GLU 55 8.734 -9.008 4.162 439 H LYS 56 H LYS 56 7.516 -6.224 5.802 440 HA LYS 56 HA LYS 56 7.424 -3.526 4.717 441 HB2 LYS 56 2HB LYS 56 6.718 -4.239 7.086 442 HB3 LYS 56 1HB LYS 56 8.435 -4.314 7.451 443 HG2 LYS 56 2HG LYS 56 7.334 -1.805 6.266 444 HG3 LYS 56 1HG LYS 56 7.010 -2.159 7.961 445 HD2 LYS 56 2HD LYS 56 9.427 -2.334 8.380 446 HD3 LYS 56 1HD LYS 56 9.745 -1.973 6.681 447 HE2 LYS 56 2HE LYS 56 8.886 0.230 6.894 448 HE3 LYS 56 1HE LYS 56 8.185 -0.119 8.474 449 HZ1 LYS 56 3HZ LYS 56 11.103 -0.122 7.928 450 HZ2 LYS 56 1HZ LYS 56 10.341 -0.230 9.435 451 HZ3 LYS 56 2HZ LYS 56 10.256 1.207 8.549 452 H VAL 57 H VAL 57 9.026 -3.311 3.229 453 HA VAL 57 HA VAL 57 11.744 -4.200 3.836 454 HB VAL 57 HB VAL 57 10.627 -3.006 1.286 455 HG11 VAL 57 1HG1 VAL 57 13.043 -2.716 1.453 456 HG12 VAL 57 2HG1 VAL 57 12.639 -3.907 0.217 457 HG13 VAL 57 3HG1 VAL 57 13.240 -4.437 1.789 458 HG21 VAL 57 3HG2 VAL 57 11.109 -5.898 2.019 459 HG22 VAL 57 1HG2 VAL 57 10.617 -5.308 0.430 460 HG23 VAL 57 2HG2 VAL 57 9.537 -5.123 1.812 461 H ASN 58 H ASN 58 13.556 -2.854 3.845 462 HA ASN 58 HA ASN 58 13.107 0.054 3.657 463 HB2 ASN 58 2HB ASN 58 13.191 -0.709 6.064 464 HB3 ASN 58 1HB ASN 58 14.844 -1.243 5.780 465 HD21 ASN 58 1HD2 ASN 58 13.316 1.668 4.494 466 HD22 ASN 58 2HD2 ASN 58 14.331 2.780 5.332 467 H ALA 59 H ALA 59 14.172 0.367 1.724 468 HA ALA 59 HA ALA 59 16.599 -0.933 1.000 469 HB1 ALA 59 3HB ALA 59 15.370 1.583 -0.132 470 HB2 ALA 59 1HB ALA 59 15.068 -0.064 -0.686 471 HB3 ALA 59 2HB ALA 59 16.670 0.649 -0.874 472 H GLY 60 H GLY 60 18.240 -0.659 2.456 473 HA2 GLY 60 2HA GLY 60 20.162 0.408 3.209 474 HA3 GLY 60 1HA GLY 60 19.595 1.902 2.485 475 H LYS 61 H LYS 61 18.303 3.310 3.696 476 HA LYS 61 HA LYS 61 17.192 2.737 6.226 477 HB2 LYS 61 2HB LYS 61 19.611 2.593 6.853 478 HB3 LYS 61 1HB LYS 61 19.805 4.270 6.370 479 HG2 LYS 61 2HG LYS 61 19.599 4.140 8.760 480 HG3 LYS 61 1HG LYS 61 18.173 4.934 8.094 481 HD2 LYS 61 2HD LYS 61 17.449 3.419 9.801 482 HD3 LYS 61 1HD LYS 61 16.963 2.748 8.246 483 HE2 LYS 61 2HE LYS 61 19.514 1.919 9.621 484 HE3 LYS 61 1HE LYS 61 17.971 1.147 9.975 485 HZ1 LYS 61 3HZ LYS 61 19.336 -0.019 8.293 486 HZ2 LYS 61 1HZ LYS 61 19.154 1.297 7.254 487 HZ3 LYS 61 2HZ LYS 61 17.801 0.405 7.732 488 H GLY 62 H GLY 62 18.597 5.192 4.107 489 HA2 GLY 62 2HA GLY 62 17.359 7.474 5.171 490 HA3 GLY 62 1HA GLY 62 17.906 7.299 3.513 491 H VAL 63 H VAL 63 16.054 5.022 3.018 492 HA VAL 63 HA VAL 63 13.787 6.586 2.201 493 HB VAL 63 HB VAL 63 12.908 4.506 1.234 494 HG11 VAL 63 1HG1 VAL 63 15.849 4.921 0.673 495 HG12 VAL 63 2HG1 VAL 63 14.516 5.829 -0.040 496 HG13 VAL 63 3HG1 VAL 63 14.696 4.113 -0.388 497 HG21 VAL 63 3HG2 VAL 63 15.309 3.185 2.517 498 HG22 VAL 63 1HG2 VAL 63 14.216 2.423 1.360 499 HG23 VAL 63 2HG2 VAL 63 13.617 2.919 2.941 500 HA PRO 64 HA PRO 64 11.211 6.074 5.764 501 HB2 PRO 64 2HB PRO 64 8.746 6.340 4.596 502 HB3 PRO 64 1HB PRO 64 9.833 7.695 4.916 503 HG2 PRO 64 2HG PRO 64 9.397 6.178 2.365 504 HG3 PRO 64 1HG PRO 64 9.534 7.930 2.615 505 HD2 PRO 64 2HD PRO 64 11.601 6.467 1.700 506 HD3 PRO 64 1HD PRO 64 11.849 7.850 2.788 507 H GLY 65 H GLY 65 10.371 4.133 2.890 508 HA2 GLY 65 2HA GLY 65 10.437 1.662 4.095 509 HA3 GLY 65 1HA GLY 65 8.796 2.231 4.353 510 H LEU 66 H LEU 66 9.603 -0.070 2.853 511 HA LEU 66 HA LEU 66 8.380 0.612 0.260 512 HB2 LEU 66 2HB LEU 66 10.757 -1.199 0.724 513 HB3 LEU 66 1HB LEU 66 9.839 -1.174 -0.767 514 HG LEU 66 HG LEU 66 11.366 1.182 0.357 515 HD11 LEU 66 1HD1 LEU 66 12.038 -0.692 -1.912 516 HD12 LEU 66 2HD1 LEU 66 12.889 -0.559 -0.373 517 HD13 LEU 66 3HD1 LEU 66 12.915 0.786 -1.514 518 HD21 LEU 66 3HD2 LEU 66 9.963 0.808 -2.294 519 HD22 LEU 66 1HD2 LEU 66 10.930 2.209 -1.827 520 HD23 LEU 66 2HD2 LEU 66 9.427 1.851 -0.975 521 H TRP 67 H TRP 67 6.883 -0.902 -0.501 522 HA TRP 67 HA TRP 67 6.113 -2.927 1.511 523 HB2 TRP 67 2HB TRP 67 4.263 -1.343 -0.288 524 HB3 TRP 67 1HB TRP 67 3.793 -2.427 1.023 525 HD1 TRP 67 HD1 TRP 67 4.762 1.136 0.343 526 HE1 TRP 67 HE1 TRP 67 4.830 2.469 2.542 527 HE3 TRP 67 HE3 TRP 67 4.406 -2.747 3.653 528 HZ2 TRP 67 HZ2 TRP 67 4.756 1.943 5.315 529 HZ3 TRP 67 HZ3 TRP 67 4.416 -2.245 6.062 530 HH2 TRP 67 HH2 TRP 67 4.587 0.052 6.875 531 H ARG 68 H ARG 68 6.084 -4.951 0.883 532 HA ARG 68 HA ARG 68 5.619 -5.643 -1.961 533 HB2 ARG 68 2HB ARG 68 7.933 -5.994 -1.696 534 HB3 ARG 68 1HB ARG 68 7.750 -6.577 -0.047 535 HG2 ARG 68 2HG ARG 68 6.699 -8.636 -0.926 536 HG3 ARG 68 1HG ARG 68 7.002 -8.059 -2.566 537 HD2 ARG 68 2HD ARG 68 9.355 -8.190 -2.275 538 HD3 ARG 68 1HD ARG 68 9.199 -8.393 -0.529 539 HE ARG 68 HE ARG 68 7.946 -10.556 -1.346 540 HH11 ARG 68 1HH1 ARG 68 10.908 -9.234 -2.500 541 HH12 ARG 68 2HH1 ARG 68 11.541 -10.774 -2.955 542 HH21 ARG 68 1HH2 ARG 68 8.765 -12.507 -1.913 543 HH22 ARG 68 2HH2 ARG 68 10.331 -12.615 -2.631 544 H LEU 69 H LEU 69 3.700 -6.775 -2.065 545 HA LEU 69 HA LEU 69 2.477 -7.884 0.229 546 HB2 LEU 69 2HB LEU 69 0.822 -8.871 -1.344 547 HB3 LEU 69 1HB LEU 69 1.068 -7.151 -1.528 548 HG LEU 69 HG LEU 69 2.606 -7.734 -3.496 549 HD11 LEU 69 1HD1 LEU 69 1.182 -10.386 -3.254 550 HD12 LEU 69 2HD1 LEU 69 2.910 -10.109 -3.042 551 HD13 LEU 69 3HD1 LEU 69 2.168 -9.861 -4.621 552 HD21 LEU 69 3HD2 LEU 69 -0.349 -8.324 -3.671 553 HD22 LEU 69 1HD2 LEU 69 0.703 -7.939 -5.034 554 HD23 LEU 69 2HD2 LEU 69 0.411 -6.736 -3.778 555 H LEU 70 H LEU 70 2.028 -10.052 0.798 556 HA LEU 70 HA LEU 70 4.253 -11.842 0.287 557 HB2 LEU 70 2HB LEU 70 1.825 -12.172 2.060 558 HB3 LEU 70 1HB LEU 70 3.201 -13.261 2.014 559 HG LEU 70 HG LEU 70 3.258 -10.371 2.914 560 HD11 LEU 70 1HD1 LEU 70 3.706 -11.288 5.133 561 HD12 LEU 70 2HD1 LEU 70 3.538 -12.926 4.498 562 HD13 LEU 70 3HD1 LEU 70 2.147 -11.840 4.515 563 HD21 LEU 70 3HD2 LEU 70 5.577 -10.819 3.573 564 HD22 LEU 70 1HD2 LEU 70 5.351 -10.983 1.831 565 HD23 LEU 70 2HD2 LEU 70 5.474 -12.424 2.843 566 H GLU 71 H GLU 71 3.917 -14.131 -0.217 567 HA GLU 71 HA GLU 71 2.494 -14.485 -2.616 568 HB2 GLU 71 2HB GLU 71 3.146 -16.894 -2.376 569 HB3 GLU 71 1HB GLU 71 4.475 -15.754 -2.230 570 HG2 GLU 71 2HG GLU 71 4.164 -15.952 0.295 571 HG3 GLU 71 1HG GLU 71 3.140 -17.345 -0.057 Start of MODEL 4 1 H1 MET 1 1H MET 1 -21.284 -0.054 2.835 2 H2 MET 1 2H MET 1 -20.512 1.236 3.602 3 H3 MET 1 3H MET 1 -19.973 -0.344 3.865 4 HA MET 1 HA MET 1 -19.867 1.133 1.297 5 HB2 MET 1 2HB MET 1 -17.624 0.270 3.147 6 HB3 MET 1 1HB MET 1 -17.422 1.079 1.599 7 HG2 MET 1 2HG MET 1 -18.714 2.217 4.070 8 HG3 MET 1 1HG MET 1 -17.146 2.658 3.396 9 HE1 MET 1 3HE MET 1 -17.797 5.226 3.427 10 HE2 MET 1 1HE MET 1 -19.358 4.815 4.136 11 HE3 MET 1 2HE MET 1 -19.279 5.871 2.723 12 H SER 2 H SER 2 -20.297 -0.289 -0.285 13 HA SER 2 HA SER 2 -20.001 -3.112 0.021 14 HB2 SER 2 2HB SER 2 -20.558 -1.459 -2.456 15 HB3 SER 2 1HB SER 2 -20.665 -3.219 -2.378 16 HG SER 2 HG SER 2 -22.631 -1.731 -1.963 17 H GLU 3 H GLU 3 -18.190 -0.701 -1.874 18 HA GLU 3 HA GLU 3 -16.264 -2.660 -2.765 19 HB2 GLU 3 2HB GLU 3 -16.342 0.355 -3.008 20 HB3 GLU 3 1HB GLU 3 -15.058 -0.642 -3.681 21 HG2 GLU 3 2HG GLU 3 -16.692 -1.811 -5.078 22 HG3 GLU 3 1HG GLU 3 -17.982 -0.817 -4.405 23 H SER 4 H SER 4 -13.937 -2.463 -2.335 24 HA SER 4 HA SER 4 -13.455 -1.729 0.488 25 HB2 SER 4 2HB SER 4 -13.412 -4.134 0.258 26 HB3 SER 4 1HB SER 4 -12.312 -4.031 -1.117 27 HG SER 4 HG SER 4 -11.799 -3.826 1.597 28 H ILE 5 H ILE 5 -12.270 0.086 0.543 29 HA ILE 5 HA ILE 5 -10.343 0.866 -1.391 30 HB ILE 5 HB ILE 5 -10.542 1.707 1.516 31 HG12 ILE 5 2HG1 ILE 5 -11.675 2.992 -0.989 32 HG13 ILE 5 1HG1 ILE 5 -12.607 2.166 0.255 33 HG21 ILE 5 1HG2 ILE 5 -8.348 2.208 0.580 34 HG22 ILE 5 2HG2 ILE 5 -9.268 3.693 0.824 35 HG23 ILE 5 3HG2 ILE 5 -9.099 3.016 -0.797 36 HD11 ILE 5 3HD1 ILE 5 -11.025 4.703 0.624 37 HD12 ILE 5 1HD1 ILE 5 -11.952 3.874 1.875 38 HD13 ILE 5 2HD1 ILE 5 -12.777 4.573 0.484 39 H VAL 6 H VAL 6 -10.181 -1.036 1.563 40 HA VAL 6 HA VAL 6 -7.410 -1.249 1.877 41 HB VAL 6 HB VAL 6 -9.496 -3.368 2.463 42 HG11 VAL 6 1HG1 VAL 6 -7.876 -4.228 4.097 43 HG12 VAL 6 2HG1 VAL 6 -6.696 -3.030 3.559 44 HG13 VAL 6 3HG1 VAL 6 -7.238 -4.293 2.454 45 HG21 VAL 6 3HG2 VAL 6 -10.027 -1.263 3.573 46 HG22 VAL 6 1HG2 VAL 6 -8.390 -1.166 4.222 47 HG23 VAL 6 2HG2 VAL 6 -9.474 -2.449 4.752 48 H THR 7 H THR 7 -9.590 -3.535 0.159 49 HA THR 7 HA THR 7 -7.555 -5.122 -0.971 50 HB THR 7 HB THR 7 -10.317 -4.589 -2.106 51 HG1 THR 7 HG1 THR 7 -9.342 -6.311 -0.095 52 HG21 THR 7 3HG2 THR 7 -8.397 -6.868 -2.626 53 HG22 THR 7 1HG2 THR 7 -8.826 -5.595 -3.768 54 HG23 THR 7 2HG2 THR 7 -10.046 -6.751 -3.240 55 H LYS 8 H LYS 8 -9.036 -2.114 -2.064 56 HA LYS 8 HA LYS 8 -7.964 -1.962 -4.651 57 HB2 LYS 8 2HB LYS 8 -9.689 -0.421 -3.746 58 HB3 LYS 8 1HB LYS 8 -8.473 0.312 -2.710 59 HG2 LYS 8 2HG LYS 8 -7.241 1.057 -4.709 60 HG3 LYS 8 1HG LYS 8 -8.495 0.348 -5.728 61 HD2 LYS 8 2HD LYS 8 -10.160 1.844 -4.679 62 HD3 LYS 8 1HD LYS 8 -8.877 2.578 -3.716 63 HE2 LYS 8 2HE LYS 8 -9.381 3.974 -5.634 64 HE3 LYS 8 1HE LYS 8 -7.761 3.297 -5.795 65 HZ1 LYS 8 3HZ LYS 8 -8.600 1.666 -7.328 66 HZ2 LYS 8 1HZ LYS 8 -9.042 3.204 -7.867 67 HZ3 LYS 8 2HZ LYS 8 -10.187 2.209 -7.120 68 H ILE 9 H ILE 9 -6.644 -0.724 -1.577 69 HA ILE 9 HA ILE 9 -4.209 0.264 -2.515 70 HB ILE 9 HB ILE 9 -4.899 -0.963 0.165 71 HG12 ILE 9 2HG1 ILE 9 -4.632 1.927 -0.721 72 HG13 ILE 9 1HG1 ILE 9 -6.149 1.081 -0.439 73 HG21 ILE 9 1HG2 ILE 9 -2.871 0.188 1.025 74 HG22 ILE 9 2HG2 ILE 9 -2.409 0.546 -0.638 75 HG23 ILE 9 3HG2 ILE 9 -2.508 -1.127 -0.091 76 HD11 ILE 9 3HD1 ILE 9 -5.599 2.520 1.424 77 HD12 ILE 9 1HD1 ILE 9 -4.051 1.699 1.632 78 HD13 ILE 9 2HD1 ILE 9 -5.559 0.829 1.923 79 H ILE 10 H ILE 10 -4.925 -2.990 -1.224 80 HA ILE 10 HA ILE 10 -2.432 -4.172 -1.520 81 HB ILE 10 HB ILE 10 -5.127 -5.487 -1.958 82 HG12 ILE 10 2HG1 ILE 10 -3.433 -5.269 0.554 83 HG13 ILE 10 1HG1 ILE 10 -4.907 -4.357 0.239 84 HG21 ILE 10 1HG2 ILE 10 -2.439 -6.716 -1.309 85 HG22 ILE 10 2HG2 ILE 10 -3.318 -6.867 -2.831 86 HG23 ILE 10 3HG2 ILE 10 -3.975 -7.585 -1.360 87 HD11 ILE 10 3HD1 ILE 10 -4.696 -7.347 0.539 88 HD12 ILE 10 1HD1 ILE 10 -6.175 -6.454 0.187 89 HD13 ILE 10 2HD1 ILE 10 -5.345 -6.214 1.723 90 H SER 11 H SER 11 -5.013 -3.837 -3.936 91 HA SER 11 HA SER 11 -3.778 -5.273 -6.027 92 HB2 SER 11 2HB SER 11 -5.751 -2.976 -6.211 93 HB3 SER 11 1HB SER 11 -5.348 -4.081 -7.525 94 HG SER 11 HG SER 11 -6.598 -4.731 -5.054 95 H ILE 12 H ILE 12 -3.702 -1.819 -5.201 96 HA ILE 12 HA ILE 12 -2.109 -0.912 -7.334 97 HB ILE 12 HB ILE 12 -2.254 0.153 -4.498 98 HG12 ILE 12 2HG1 ILE 12 -3.775 1.087 -6.949 99 HG13 ILE 12 1HG1 ILE 12 -4.436 -0.031 -5.760 100 HG21 ILE 12 1HG2 ILE 12 -0.299 1.025 -5.663 101 HG22 ILE 12 2HG2 ILE 12 -1.509 2.290 -5.463 102 HG23 ILE 12 3HG2 ILE 12 -1.306 1.506 -7.029 103 HD11 ILE 12 3HD1 ILE 12 -5.216 2.237 -5.377 104 HD12 ILE 12 1HD1 ILE 12 -3.551 2.796 -5.214 105 HD13 ILE 12 2HD1 ILE 12 -4.227 1.674 -4.030 106 H VAL 13 H VAL 13 -1.199 -2.114 -4.119 107 HA VAL 13 HA VAL 13 1.568 -1.757 -4.268 108 HB VAL 13 HB VAL 13 0.044 -3.963 -2.849 109 HG11 VAL 13 1HG1 VAL 13 2.856 -2.950 -2.389 110 HG12 VAL 13 2HG1 VAL 13 2.401 -4.528 -3.033 111 HG13 VAL 13 3HG1 VAL 13 2.001 -4.110 -1.369 112 HG21 VAL 13 3HG2 VAL 13 -0.710 -1.752 -2.167 113 HG22 VAL 13 1HG2 VAL 13 0.955 -1.254 -1.866 114 HG23 VAL 13 2HG2 VAL 13 0.214 -2.508 -0.871 115 H GLN 14 H GLN 14 -0.326 -4.693 -5.100 116 HA GLN 14 HA GLN 14 1.861 -6.167 -6.115 117 HB2 GLN 14 2HB GLN 14 -0.181 -7.299 -5.499 118 HB3 GLN 14 1HB GLN 14 -1.103 -6.391 -6.692 119 HG2 GLN 14 2HG GLN 14 0.039 -7.508 -8.498 120 HG3 GLN 14 1HG GLN 14 1.123 -8.314 -7.367 121 HE21 GLN 14 1HE2 GLN 14 0.387 -10.070 -6.214 122 HE22 GLN 14 2HE2 GLN 14 -1.087 -10.884 -6.592 123 H GLU 15 H GLU 15 -0.448 -4.007 -7.723 124 HA GLU 15 HA GLU 15 0.194 -4.429 -10.381 125 HB2 GLU 15 2HB GLU 15 -1.649 -3.000 -9.653 126 HB3 GLU 15 1HB GLU 15 -0.520 -1.829 -8.997 127 HG2 GLU 15 2HG GLU 15 -0.435 -2.514 -11.911 128 HG3 GLU 15 1HG GLU 15 -1.664 -1.409 -11.299 129 H ARG 16 H ARG 16 1.705 -2.026 -8.197 130 HA ARG 16 HA ARG 16 3.668 -1.111 -9.954 131 HB2 ARG 16 2HB ARG 16 3.744 -1.340 -6.938 132 HB3 ARG 16 1HB ARG 16 4.933 -0.458 -7.886 133 HG2 ARG 16 2HG ARG 16 1.984 0.166 -7.929 134 HG3 ARG 16 1HG ARG 16 3.128 0.940 -6.834 135 HD2 ARG 16 2HD ARG 16 2.769 2.373 -8.738 136 HD3 ARG 16 1HD ARG 16 4.411 1.734 -8.810 137 HE ARG 16 HE ARG 16 2.252 0.490 -10.377 138 HH11 ARG 16 1HH1 ARG 16 5.273 2.140 -10.259 139 HH12 ARG 16 2HH1 ARG 16 5.625 1.840 -11.923 140 HH21 ARG 16 1HH2 ARG 16 2.716 0.109 -12.501 141 HH22 ARG 16 2HH2 ARG 16 4.187 0.714 -13.192 142 H GLN 17 H GLN 17 3.876 -3.823 -7.630 143 HA GLN 17 HA GLN 17 6.595 -4.450 -8.141 144 HB2 GLN 17 2HB GLN 17 4.421 -6.339 -7.214 145 HB3 GLN 17 1HB GLN 17 6.155 -6.562 -7.015 146 HG2 GLN 17 2HG GLN 17 6.262 -4.655 -5.528 147 HG3 GLN 17 1HG GLN 17 4.547 -4.337 -5.778 148 HE21 GLN 17 1HE2 GLN 17 3.925 -4.608 -3.702 149 HE22 GLN 17 2HE2 GLN 17 3.961 -6.122 -2.877 150 H ASN 18 H ASN 18 3.615 -5.560 -9.677 151 HA ASN 18 HA ASN 18 4.902 -7.629 -11.204 152 HB2 ASN 18 2HB ASN 18 2.126 -6.439 -11.341 153 HB3 ASN 18 1HB ASN 18 2.666 -7.781 -12.348 154 HD21 ASN 18 1HD2 ASN 18 1.106 -9.145 -11.428 155 HD22 ASN 18 2HD2 ASN 18 1.292 -9.787 -9.835 156 H MET 19 H MET 19 3.764 -4.343 -11.911 157 HA MET 19 HA MET 19 4.275 -4.563 -14.728 158 HB2 MET 19 2HB MET 19 3.735 -2.130 -13.017 159 HB3 MET 19 1HB MET 19 3.799 -2.130 -14.773 160 HG2 MET 19 2HG MET 19 1.848 -3.775 -13.171 161 HG3 MET 19 1HG MET 19 1.503 -2.164 -13.791 162 HE1 MET 19 3HE MET 19 1.524 -5.929 -14.486 163 HE2 MET 19 1HE MET 19 3.082 -5.588 -15.238 164 HE3 MET 19 2HE MET 19 1.709 -6.063 -16.236 165 H ASP 20 H ASP 20 5.983 -2.934 -12.039 166 HA ASP 20 HA ASP 20 8.137 -2.111 -13.796 167 HB2 ASP 20 2HB ASP 20 7.274 -0.881 -11.679 168 HB3 ASP 20 1HB ASP 20 8.246 -2.039 -10.779 169 H ASP 21 H ASP 21 7.415 -4.761 -11.685 170 HA ASP 21 HA ASP 21 8.364 -6.773 -11.345 171 HB2 ASP 21 2HB ASP 21 8.717 -6.716 -13.817 172 HB3 ASP 21 1HB ASP 21 10.328 -6.062 -13.533 173 H GLY 22 H GLY 22 9.187 -6.793 -9.357 174 HA2 GLY 22 2HA GLY 22 10.999 -7.178 -7.917 175 HA3 GLY 22 1HA GLY 22 12.064 -6.379 -9.059 176 H ALA 23 H ALA 23 10.278 -4.005 -9.213 177 HA ALA 23 HA ALA 23 11.605 -2.418 -7.319 178 HB1 ALA 23 3HB ALA 23 10.749 -1.568 -9.447 179 HB2 ALA 23 1HB ALA 23 10.180 -0.602 -8.081 180 HB3 ALA 23 2HB ALA 23 9.097 -1.758 -8.859 181 HA PRO 24 HA PRO 24 8.836 -2.688 -3.768 182 HB2 PRO 24 2HB PRO 24 10.002 -0.816 -2.230 183 HB3 PRO 24 1HB PRO 24 10.789 -2.369 -2.549 184 HG2 PRO 24 2HG PRO 24 11.281 0.301 -3.823 185 HG3 PRO 24 1HG PRO 24 12.455 -0.913 -3.281 186 HD2 PRO 24 2HD PRO 24 11.647 -0.605 -5.897 187 HD3 PRO 24 1HD PRO 24 12.273 -2.123 -5.221 188 H VAL 25 H VAL 25 7.055 -1.546 -2.973 189 HA VAL 25 HA VAL 25 6.137 0.616 -4.682 190 HB VAL 25 HB VAL 25 4.655 -0.726 -2.410 191 HG11 VAL 25 1HG1 VAL 25 2.647 0.043 -3.613 192 HG12 VAL 25 2HG1 VAL 25 3.677 0.863 -4.787 193 HG13 VAL 25 3HG1 VAL 25 3.669 1.389 -3.104 194 HG21 VAL 25 3HG2 VAL 25 5.375 -2.416 -4.002 195 HG22 VAL 25 1HG2 VAL 25 4.730 -1.465 -5.342 196 HG23 VAL 25 2HG2 VAL 25 3.637 -2.155 -4.142 197 H LYS 26 H LYS 26 5.758 2.695 -4.101 198 HA LYS 26 HA LYS 26 6.724 3.587 -1.475 199 HB2 LYS 26 2HB LYS 26 6.107 5.178 -3.982 200 HB3 LYS 26 1HB LYS 26 6.735 5.853 -2.488 201 HG2 LYS 26 2HG LYS 26 8.539 5.664 -4.032 202 HG3 LYS 26 1HG LYS 26 8.775 4.437 -2.784 203 HD2 LYS 26 2HD LYS 26 8.024 2.698 -4.250 204 HD3 LYS 26 1HD LYS 26 7.482 3.866 -5.455 205 HE2 LYS 26 2HE LYS 26 10.355 3.494 -4.602 206 HE3 LYS 26 1HE LYS 26 9.628 2.751 -6.030 207 HZ1 LYS 26 3HZ LYS 26 9.874 5.671 -5.532 208 HZ2 LYS 26 1HZ LYS 26 9.149 4.964 -6.888 209 HZ3 LYS 26 2HZ LYS 26 10.802 4.766 -6.617 210 H THR 27 H THR 27 5.452 4.806 -0.073 211 HA THR 27 HA THR 27 2.686 4.418 -0.002 212 HB THR 27 HB THR 27 4.233 6.681 1.301 213 HG1 THR 27 HG1 THR 27 3.486 4.218 2.501 214 HG21 THR 27 3HG2 THR 27 1.570 5.444 2.043 215 HG22 THR 27 1HG2 THR 27 1.797 7.046 1.339 216 HG23 THR 27 2HG2 THR 27 2.418 6.695 2.952 217 H ARG 28 H ARG 28 4.585 7.001 -1.452 218 HA ARG 28 HA ARG 28 2.587 8.852 -2.050 219 HB2 ARG 28 2HB ARG 28 5.161 8.129 -3.441 220 HB3 ARG 28 1HB ARG 28 4.108 9.388 -4.072 221 HG2 ARG 28 2HG ARG 28 5.252 9.378 -1.280 222 HG3 ARG 28 1HG ARG 28 5.960 10.235 -2.653 223 HD2 ARG 28 2HD ARG 28 3.965 11.577 -2.898 224 HD3 ARG 28 1HD ARG 28 3.149 10.658 -1.635 225 HE ARG 28 HE ARG 28 5.456 11.758 -0.524 226 HH11 ARG 28 1HH1 ARG 28 2.505 12.857 -1.925 227 HH12 ARG 28 2HH1 ARG 28 2.414 14.252 -0.907 228 HH21 ARG 28 1HH2 ARG 28 5.330 13.571 0.768 229 HH22 ARG 28 2HH2 ARG 28 3.987 14.652 0.591 230 H ASP 29 H ASP 29 3.788 6.257 -4.248 231 HA ASP 29 HA ASP 29 1.978 6.687 -6.314 232 HB2 ASP 29 2HB ASP 29 3.233 4.079 -5.425 233 HB3 ASP 29 1HB ASP 29 2.410 4.322 -6.966 234 H ILE 30 H ILE 30 1.603 4.614 -3.453 235 HA ILE 30 HA ILE 30 -0.936 3.566 -4.103 236 HB ILE 30 HB ILE 30 0.183 4.092 -1.337 237 HG12 ILE 30 2HG1 ILE 30 0.394 1.609 -3.070 238 HG13 ILE 30 1HG1 ILE 30 1.706 2.736 -2.742 239 HG21 ILE 30 1HG2 ILE 30 -2.220 3.643 -1.318 240 HG22 ILE 30 2HG2 ILE 30 -1.327 2.291 -0.619 241 HG23 ILE 30 3HG2 ILE 30 -1.966 2.170 -2.260 242 HD11 ILE 30 3HD1 ILE 30 1.614 2.159 -0.372 243 HD12 ILE 30 1HD1 ILE 30 1.891 0.737 -1.377 244 HD13 ILE 30 2HD1 ILE 30 0.292 1.036 -0.696 245 H ALA 31 H ALA 31 0.008 6.471 -2.277 246 HA ALA 31 HA ALA 31 -2.541 7.258 -1.407 247 HB1 ALA 31 3HB ALA 31 -0.484 8.209 -0.502 248 HB2 ALA 31 1HB ALA 31 -1.568 9.477 -1.074 249 HB3 ALA 31 2HB ALA 31 -0.166 9.012 -2.039 250 H ASP 32 H ASP 32 -0.735 8.304 -4.310 251 HA ASP 32 HA ASP 32 -2.785 9.971 -5.326 252 HB2 ASP 32 2HB ASP 32 -0.455 8.618 -6.701 253 HB3 ASP 32 1HB ASP 32 -1.516 9.779 -7.495 254 H ALA 33 H ALA 33 -2.006 6.558 -5.975 255 HA ALA 33 HA ALA 33 -3.962 6.214 -8.016 256 HB1 ALA 33 3HB ALA 33 -1.997 4.770 -7.795 257 HB2 ALA 33 1HB ALA 33 -3.492 3.837 -7.805 258 HB3 ALA 33 2HB ALA 33 -2.642 4.124 -6.287 259 H ALA 34 H ALA 34 -4.048 5.748 -4.509 260 HA ALA 34 HA ALA 34 -6.727 4.608 -4.592 261 HB1 ALA 34 3HB ALA 34 -5.084 3.772 -2.970 262 HB2 ALA 34 1HB ALA 34 -6.523 4.413 -2.177 263 HB3 ALA 34 2HB ALA 34 -5.036 5.360 -2.204 264 H GLY 35 H GLY 35 -5.282 7.734 -4.161 265 HA2 GLY 35 2HA GLY 35 -6.310 9.814 -4.091 266 HA3 GLY 35 1HA GLY 35 -7.872 9.011 -4.066 267 H LEU 36 H LEU 36 -5.199 8.549 -1.778 268 HA LEU 36 HA LEU 36 -6.916 9.662 0.365 269 HB2 LEU 36 2HB LEU 36 -5.053 7.292 0.574 270 HB3 LEU 36 1HB LEU 36 -6.018 7.956 1.877 271 HG LEU 36 HG LEU 36 -7.097 6.606 -0.609 272 HD11 LEU 36 1HD1 LEU 36 -7.811 4.846 0.961 273 HD12 LEU 36 2HD1 LEU 36 -6.955 5.674 2.260 274 HD13 LEU 36 3HD1 LEU 36 -6.058 5.014 0.894 275 HD21 LEU 36 3HD2 LEU 36 -8.619 8.346 0.167 276 HD22 LEU 36 1HD2 LEU 36 -8.549 7.701 1.808 277 HD23 LEU 36 2HD2 LEU 36 -9.282 6.750 0.517 278 H SER 37 H SER 37 -5.534 10.025 2.446 279 HA SER 37 HA SER 37 -3.291 11.741 1.725 280 HB2 SER 37 2HB SER 37 -4.565 11.220 4.431 281 HB3 SER 37 1HB SER 37 -3.341 12.447 4.094 282 HG SER 37 HG SER 37 -5.335 12.731 2.343 283 H ILE 38 H ILE 38 -1.162 11.510 2.456 284 HA ILE 38 HA ILE 38 0.015 9.035 2.378 285 HB ILE 38 HB ILE 38 1.033 11.471 3.859 286 HG12 ILE 38 2HG1 ILE 38 0.556 11.904 1.488 287 HG13 ILE 38 1HG1 ILE 38 2.291 11.923 1.785 288 HG21 ILE 38 1HG2 ILE 38 2.236 9.471 4.571 289 HG22 ILE 38 2HG2 ILE 38 3.274 10.506 3.591 290 HG23 ILE 38 3HG2 ILE 38 2.564 9.051 2.888 291 HD11 ILE 38 3HD1 ILE 38 1.766 10.791 -0.290 292 HD12 ILE 38 1HD1 ILE 38 0.728 9.655 0.569 293 HD13 ILE 38 2HD1 ILE 38 2.465 9.665 0.872 294 H TYR 39 H TYR 39 -0.701 10.845 5.375 295 HA TYR 39 HA TYR 39 0.146 8.980 7.253 296 HB2 TYR 39 2HB TYR 39 -0.482 11.228 7.891 297 HB3 TYR 39 1HB TYR 39 -2.142 10.961 7.375 298 HD1 TYR 39 HD2 TYR 39 0.389 9.716 9.828 299 HD2 TYR 39 HD1 TYR 39 -3.739 10.288 8.944 300 HE1 TYR 39 HE2 TYR 39 -0.195 9.008 12.109 301 HE2 TYR 39 HE1 TYR 39 -4.329 9.584 11.223 302 HH TYR 39 HH TYR 39 -3.243 8.118 13.043 303 H GLN 40 H GLN 40 -3.183 9.398 6.032 304 HA GLN 40 HA GLN 40 -4.397 7.235 7.286 305 HB2 GLN 40 2HB GLN 40 -5.666 8.964 6.151 306 HB3 GLN 40 1HB GLN 40 -4.980 8.503 4.600 307 HG2 GLN 40 2HG GLN 40 -6.115 6.308 4.801 308 HG3 GLN 40 1HG GLN 40 -6.872 6.879 6.289 309 HE21 GLN 40 1HE2 GLN 40 -8.942 6.680 5.395 310 HE22 GLN 40 2HE2 GLN 40 -9.531 7.781 4.201 311 H VAL 41 H VAL 41 -2.896 7.334 4.060 312 HA VAL 41 HA VAL 41 -3.426 4.742 3.226 313 HB VAL 41 HB VAL 41 -0.990 6.443 2.626 314 HG11 VAL 41 1HG1 VAL 41 -0.720 5.016 0.625 315 HG12 VAL 41 2HG1 VAL 41 -2.004 3.965 1.224 316 HG13 VAL 41 3HG1 VAL 41 -0.497 4.119 2.127 317 HG21 VAL 41 3HG2 VAL 41 -2.175 6.998 0.553 318 HG22 VAL 41 1HG2 VAL 41 -3.102 7.486 1.973 319 HG23 VAL 41 2HG2 VAL 41 -3.556 6.034 1.079 320 H ARG 42 H ARG 42 -0.497 5.920 4.942 321 HA ARG 42 HA ARG 42 0.712 3.361 5.004 322 HB2 ARG 42 2HB ARG 42 2.422 4.277 6.309 323 HB3 ARG 42 1HB ARG 42 1.894 5.593 5.274 324 HG2 ARG 42 2HG ARG 42 0.934 6.766 7.033 325 HG3 ARG 42 1HG ARG 42 0.788 5.327 8.049 326 HD2 ARG 42 2HD ARG 42 3.310 6.816 7.322 327 HD3 ARG 42 1HD ARG 42 2.581 6.653 8.925 328 HE ARG 42 HE ARG 42 3.015 4.155 8.539 329 HH11 ARG 42 1HH1 ARG 42 5.092 6.686 7.455 330 HH12 ARG 42 2HH1 ARG 42 6.471 5.646 7.348 331 HH21 ARG 42 1HH2 ARG 42 4.741 2.834 8.363 332 HH22 ARG 42 2HH2 ARG 42 6.268 3.468 7.842 333 H LEU 43 H LEU 43 -1.586 4.911 7.158 334 HA LEU 43 HA LEU 43 -1.360 3.221 9.384 335 HB2 LEU 43 2HB LEU 43 -3.812 4.504 8.173 336 HB3 LEU 43 1HB LEU 43 -3.818 3.668 9.713 337 HG LEU 43 HG LEU 43 -2.254 6.173 9.064 338 HD11 LEU 43 1HD1 LEU 43 -4.636 6.585 9.260 339 HD12 LEU 43 2HD1 LEU 43 -3.785 7.240 10.657 340 HD13 LEU 43 3HD1 LEU 43 -4.683 5.728 10.802 341 HD21 LEU 43 3HD2 LEU 43 -1.046 4.757 10.649 342 HD22 LEU 43 1HD2 LEU 43 -2.487 4.646 11.663 343 HD23 LEU 43 2HD2 LEU 43 -1.676 6.199 11.445 344 H TYR 44 H TYR 44 -3.361 2.852 6.454 345 HA TYR 44 HA TYR 44 -4.305 0.250 7.094 346 HB2 TYR 44 2HB TYR 44 -4.081 1.722 4.464 347 HB3 TYR 44 1HB TYR 44 -4.787 0.112 4.597 348 HD1 TYR 44 HD1 TYR 44 -6.922 -0.223 5.757 349 HD2 TYR 44 HD2 TYR 44 -5.270 3.679 5.301 350 HE1 TYR 44 HE1 TYR 44 -9.093 0.763 6.357 351 HE2 TYR 44 HE2 TYR 44 -7.438 4.668 5.905 352 HH TYR 44 HH TYR 44 -9.993 2.834 7.239 353 H LEU 45 H LEU 45 -1.413 1.384 5.418 354 HA LEU 45 HA LEU 45 -0.526 -1.111 4.447 355 HB2 LEU 45 2HB LEU 45 1.114 1.288 5.294 356 HB3 LEU 45 1HB LEU 45 1.721 -0.070 4.365 357 HG LEU 45 HG LEU 45 -0.399 1.889 3.458 358 HD11 LEU 45 1HD1 LEU 45 1.283 2.592 1.813 359 HD12 LEU 45 2HD1 LEU 45 2.459 1.511 2.561 360 HD13 LEU 45 3HD1 LEU 45 1.817 2.879 3.468 361 HD21 LEU 45 3HD2 LEU 45 -0.843 -0.323 2.556 362 HD22 LEU 45 1HD2 LEU 45 0.828 -0.456 2.004 363 HD23 LEU 45 2HD2 LEU 45 -0.245 0.746 1.288 364 H GLU 46 H GLU 46 0.231 0.568 7.510 365 HA GLU 46 HA GLU 46 1.808 -1.392 8.698 366 HB2 GLU 46 2HB GLU 46 0.142 0.843 9.681 367 HB3 GLU 46 1HB GLU 46 0.390 -0.445 10.846 368 HG2 GLU 46 2HG GLU 46 2.124 0.966 11.334 369 HG3 GLU 46 1HG GLU 46 2.895 -0.185 10.249 370 H GLN 47 H GLN 47 -1.746 -1.049 8.800 371 HA GLN 47 HA GLN 47 -2.333 -3.296 10.356 372 HB2 GLN 47 2HB GLN 47 -3.953 -2.134 8.074 373 HB3 GLN 47 1HB GLN 47 -4.568 -3.255 9.281 374 HG2 GLN 47 2HG GLN 47 -4.124 -1.590 11.034 375 HG3 GLN 47 1HG GLN 47 -3.548 -0.466 9.806 376 HE21 GLN 47 1HE2 GLN 47 -5.761 -0.174 11.660 377 HE22 GLN 47 2HE2 GLN 47 -7.174 0.080 10.697 378 H LEU 48 H LEU 48 -2.164 -3.065 6.791 379 HA LEU 48 HA LEU 48 -2.601 -5.767 6.205 380 HB2 LEU 48 2HB LEU 48 -0.986 -3.702 4.708 381 HB3 LEU 48 1HB LEU 48 -1.411 -5.275 4.056 382 HG LEU 48 HG LEU 48 -3.378 -3.118 4.851 383 HD11 LEU 48 1HD1 LEU 48 -2.525 -4.079 2.120 384 HD12 LEU 48 2HD1 LEU 48 -2.126 -2.521 2.850 385 HD13 LEU 48 3HD1 LEU 48 -3.801 -2.905 2.455 386 HD21 LEU 48 3HD2 LEU 48 -5.050 -4.568 3.774 387 HD22 LEU 48 1HD2 LEU 48 -4.318 -5.331 5.187 388 HD23 LEU 48 2HD2 LEU 48 -3.820 -5.815 3.564 389 H HIS 49 H HIS 49 0.329 -4.108 7.193 390 HA HIS 49 HA HIS 49 2.154 -6.227 6.764 391 HB2 HIS 49 2HB HIS 49 3.090 -4.095 7.137 392 HB3 HIS 49 1HB HIS 49 2.125 -3.823 8.580 393 HD1 HIS 49 HD1 HIS 49 3.649 -3.721 10.510 394 HD2 HIS 49 HD2 HIS 49 4.794 -6.666 7.812 395 HE1 HIS 49 HE1 HIS 49 5.655 -4.821 11.531 396 HE2 HIS 49 HE2 HIS 49 6.175 -6.743 9.998 397 H ASP 50 H ASP 50 0.179 -5.351 9.597 398 HA ASP 50 HA ASP 50 1.265 -7.486 11.203 399 HB2 ASP 50 2HB ASP 50 -0.993 -5.537 11.690 400 HB3 ASP 50 1HB ASP 50 -0.445 -6.718 12.876 401 H VAL 51 H VAL 51 -1.523 -7.186 9.111 402 HA VAL 51 HA VAL 51 -2.775 -9.564 10.262 403 HB VAL 51 HB VAL 51 -4.563 -9.263 8.648 404 HG11 VAL 51 1HG1 VAL 51 -4.625 -7.951 10.719 405 HG12 VAL 51 2HG1 VAL 51 -5.406 -7.097 9.388 406 HG13 VAL 51 3HG1 VAL 51 -3.784 -6.628 9.907 407 HG21 VAL 51 3HG2 VAL 51 -2.894 -7.012 7.514 408 HG22 VAL 51 1HG2 VAL 51 -4.558 -7.379 7.058 409 HG23 VAL 51 2HG2 VAL 51 -3.273 -8.538 6.716 410 H GLY 52 H GLY 52 -0.179 -9.225 8.401 411 HA2 GLY 52 2HA GLY 52 1.040 -10.851 7.297 412 HA3 GLY 52 1HA GLY 52 -0.337 -11.928 7.431 413 H VAL 53 H VAL 53 0.333 -8.836 5.740 414 HA VAL 53 HA VAL 53 -0.401 -10.167 3.205 415 HB VAL 53 HB VAL 53 -1.275 -7.389 4.048 416 HG11 VAL 53 1HG1 VAL 53 -1.732 -8.835 1.431 417 HG12 VAL 53 2HG1 VAL 53 -0.705 -7.422 1.677 418 HG13 VAL 53 3HG1 VAL 53 -2.451 -7.290 1.891 419 HG21 VAL 53 3HG2 VAL 53 -3.561 -8.294 3.844 420 HG22 VAL 53 1HG2 VAL 53 -2.627 -9.130 5.083 421 HG23 VAL 53 2HG2 VAL 53 -2.890 -9.891 3.517 422 H LEU 54 H LEU 54 1.139 -7.233 4.579 423 HA LEU 54 HA LEU 54 2.692 -6.931 2.109 424 HB2 LEU 54 2HB LEU 54 2.347 -5.052 4.449 425 HB3 LEU 54 1HB LEU 54 3.307 -4.709 3.020 426 HG LEU 54 HG LEU 54 0.310 -5.101 3.116 427 HD11 LEU 54 1HD1 LEU 54 1.059 -2.954 3.992 428 HD12 LEU 54 2HD1 LEU 54 0.222 -2.757 2.452 429 HD13 LEU 54 3HD1 LEU 54 1.982 -2.662 2.517 430 HD21 LEU 54 3HD2 LEU 54 2.100 -4.558 0.744 431 HD22 LEU 54 1HD2 LEU 54 0.337 -4.503 0.728 432 HD23 LEU 54 2HD2 LEU 54 1.168 -6.023 1.045 433 H GLU 55 H GLU 55 4.871 -6.876 1.997 434 HA GLU 55 HA GLU 55 6.395 -7.978 4.255 435 HB2 GLU 55 2HB GLU 55 6.466 -9.233 2.136 436 HB3 GLU 55 1HB GLU 55 7.056 -7.805 1.298 437 HG2 GLU 55 2HG GLU 55 8.881 -9.301 1.683 438 HG3 GLU 55 1HG GLU 55 9.096 -7.870 2.690 439 H LYS 56 H LYS 56 8.520 -7.083 4.745 440 HA LYS 56 HA LYS 56 8.539 -4.156 4.426 441 HB2 LYS 56 2HB LYS 56 10.218 -5.809 6.336 442 HB3 LYS 56 1HB LYS 56 10.002 -4.067 6.351 443 HG2 LYS 56 2HG LYS 56 8.666 -4.846 8.107 444 HG3 LYS 56 1HG LYS 56 7.527 -4.541 6.794 445 HD2 LYS 56 2HD LYS 56 7.024 -6.659 7.901 446 HD3 LYS 56 1HD LYS 56 7.533 -6.937 6.238 447 HE2 LYS 56 2HE LYS 56 9.839 -7.401 7.117 448 HE3 LYS 56 1HE LYS 56 9.169 -7.320 8.746 449 HZ1 LYS 56 3HZ LYS 56 9.293 -9.586 8.009 450 HZ2 LYS 56 1HZ LYS 56 8.401 -9.240 6.618 451 HZ3 LYS 56 2HZ LYS 56 7.666 -9.146 8.138 452 H VAL 57 H VAL 57 9.893 -3.263 2.992 453 HA VAL 57 HA VAL 57 12.230 -4.828 2.089 454 HB VAL 57 HB VAL 57 10.812 -2.569 0.657 455 HG11 VAL 57 1HG1 VAL 57 12.137 -3.238 -1.294 456 HG12 VAL 57 2HG1 VAL 57 12.968 -4.455 -0.323 457 HG13 VAL 57 3HG1 VAL 57 13.179 -2.742 0.042 458 HG21 VAL 57 3HG2 VAL 57 9.404 -4.563 0.857 459 HG22 VAL 57 1HG2 VAL 57 10.688 -5.549 0.154 460 HG23 VAL 57 2HG2 VAL 57 9.906 -4.297 -0.812 461 H ASN 58 H ASN 58 13.979 -4.194 3.237 462 HA ASN 58 HA ASN 58 14.487 -1.374 3.767 463 HB2 ASN 58 2HB ASN 58 15.021 -3.058 5.496 464 HB3 ASN 58 1HB ASN 58 16.179 -3.808 4.402 465 HD21 ASN 58 1HD2 ASN 58 15.470 -0.954 6.294 466 HD22 ASN 58 2HD2 ASN 58 17.089 -0.348 6.334 467 H ALA 59 H ALA 59 15.053 -0.289 1.967 468 HA ALA 59 HA ALA 59 16.579 -1.448 -0.169 469 HB1 ALA 59 3HB ALA 59 14.815 0.209 -0.572 470 HB2 ALA 59 1HB ALA 59 16.364 0.725 -1.241 471 HB3 ALA 59 2HB ALA 59 15.774 1.431 0.265 472 H GLY 60 H GLY 60 17.523 -0.028 2.766 473 HA2 GLY 60 2HA GLY 60 20.228 -0.317 2.457 474 HA3 GLY 60 1HA GLY 60 19.907 1.298 1.842 475 H LYS 61 H LYS 61 21.564 1.390 3.813 476 HA LYS 61 HA LYS 61 20.365 1.355 6.430 477 HB2 LYS 61 2HB LYS 61 23.004 2.591 5.610 478 HB3 LYS 61 1HB LYS 61 22.516 2.125 7.232 479 HG2 LYS 61 2HG LYS 61 23.042 0.264 4.916 480 HG3 LYS 61 1HG LYS 61 24.080 0.517 6.319 481 HD2 LYS 61 2HD LYS 61 21.266 -0.587 6.414 482 HD3 LYS 61 1HD LYS 61 22.737 -1.556 6.471 483 HE2 LYS 61 2HE LYS 61 23.399 -0.456 8.548 484 HE3 LYS 61 1HE LYS 61 21.955 0.557 8.486 485 HZ1 LYS 61 3HZ LYS 61 21.681 -1.330 9.976 486 HZ2 LYS 61 1HZ LYS 61 21.965 -2.403 8.698 487 HZ3 LYS 61 2HZ LYS 61 20.595 -1.409 8.685 488 H GLY 62 H GLY 62 18.695 2.830 6.578 489 HA2 GLY 62 2HA GLY 62 18.797 5.280 7.478 490 HA3 GLY 62 1HA GLY 62 19.229 5.628 5.810 491 H VAL 63 H VAL 63 17.348 3.406 4.929 492 HA VAL 63 HA VAL 63 14.978 5.043 4.753 493 HB VAL 63 HB VAL 63 14.055 3.284 3.329 494 HG11 VAL 63 1HG1 VAL 63 16.933 3.933 2.668 495 HG12 VAL 63 2HG1 VAL 63 15.523 4.932 2.305 496 HG13 VAL 63 3HG1 VAL 63 15.718 3.365 1.519 497 HG21 VAL 63 3HG2 VAL 63 14.884 1.305 4.454 498 HG22 VAL 63 1HG2 VAL 63 16.547 1.723 4.035 499 HG23 VAL 63 2HG2 VAL 63 15.400 1.283 2.770 500 HA PRO 64 HA PRO 64 12.857 3.307 8.279 501 HB2 PRO 64 2HB PRO 64 10.282 3.921 7.552 502 HB3 PRO 64 1HB PRO 64 11.415 5.091 8.237 503 HG2 PRO 64 2HG PRO 64 10.673 4.627 5.369 504 HG3 PRO 64 1HG PRO 64 10.902 6.160 6.235 505 HD2 PRO 64 2HD PRO 64 12.802 5.138 4.608 506 HD3 PRO 64 1HD PRO 64 13.211 6.053 6.075 507 H GLY 65 H GLY 65 11.350 2.668 5.090 508 HA2 GLY 65 2HA GLY 65 11.644 -0.014 4.904 509 HA3 GLY 65 1HA GLY 65 10.270 0.133 5.989 510 H LEU 66 H LEU 66 11.138 -0.255 2.829 511 HA LEU 66 HA LEU 66 8.864 1.148 1.658 512 HB2 LEU 66 2HB LEU 66 10.950 -0.655 0.411 513 HB3 LEU 66 1HB LEU 66 9.705 0.202 -0.481 514 HG LEU 66 HG LEU 66 11.893 1.525 1.147 515 HD11 LEU 66 1HD1 LEU 66 12.840 2.183 -1.011 516 HD12 LEU 66 2HD1 LEU 66 11.612 1.230 -1.841 517 HD13 LEU 66 3HD1 LEU 66 12.807 0.431 -0.823 518 HD21 LEU 66 3HD2 LEU 66 9.824 2.713 -0.707 519 HD22 LEU 66 1HD2 LEU 66 11.133 3.594 0.080 520 HD23 LEU 66 2HD2 LEU 66 9.854 2.867 1.050 521 H TRP 67 H TRP 67 7.351 -0.120 0.190 522 HA TRP 67 HA TRP 67 6.450 -2.413 1.805 523 HB2 TRP 67 2HB TRP 67 4.841 -0.491 0.114 524 HB3 TRP 67 1HB TRP 67 4.173 -1.822 1.058 525 HD1 TRP 67 HD1 TRP 67 5.306 1.753 1.369 526 HE1 TRP 67 HE1 TRP 67 5.010 2.545 3.799 527 HE3 TRP 67 HE3 TRP 67 4.307 -2.749 3.584 528 HZ2 TRP 67 HZ2 TRP 67 4.428 1.417 6.319 529 HZ3 TRP 67 HZ3 TRP 67 3.890 -2.803 6.008 530 HH2 TRP 67 HH2 TRP 67 3.950 -0.763 7.347 531 H ARG 68 H ARG 68 6.222 -4.360 0.980 532 HA ARG 68 HA ARG 68 5.434 -4.680 -1.831 533 HB2 ARG 68 2HB ARG 68 7.794 -5.985 -0.505 534 HB3 ARG 68 1HB ARG 68 6.890 -6.886 -1.715 535 HG2 ARG 68 2HG ARG 68 7.285 -5.047 -3.330 536 HG3 ARG 68 1HG ARG 68 8.267 -4.231 -2.116 537 HD2 ARG 68 2HD ARG 68 9.514 -5.593 -3.870 538 HD3 ARG 68 1HD ARG 68 9.931 -5.897 -2.184 539 HE ARG 68 HE ARG 68 8.504 -7.890 -2.324 540 HH11 ARG 68 1HH1 ARG 68 9.664 -6.563 -5.293 541 HH12 ARG 68 2HH1 ARG 68 9.542 -8.078 -6.121 542 HH21 ARG 68 1HH2 ARG 68 8.396 -9.790 -3.374 543 HH22 ARG 68 2HH2 ARG 68 8.846 -9.895 -5.042 544 H LEU 69 H LEU 69 5.129 -7.443 -1.886 545 HA LEU 69 HA LEU 69 3.226 -7.906 0.331 546 HB2 LEU 69 2HB LEU 69 2.037 -9.459 -1.275 547 HB3 LEU 69 1HB LEU 69 1.922 -7.746 -1.618 548 HG LEU 69 HG LEU 69 3.776 -8.080 -3.326 549 HD11 LEU 69 1HD1 LEU 69 3.108 -10.990 -2.898 550 HD12 LEU 69 2HD1 LEU 69 4.655 -10.208 -2.568 551 HD13 LEU 69 3HD1 LEU 69 4.069 -10.338 -4.227 552 HD21 LEU 69 3HD2 LEU 69 2.238 -8.938 -5.027 553 HD22 LEU 69 1HD2 LEU 69 1.458 -7.765 -3.965 554 HD23 LEU 69 2HD2 LEU 69 1.144 -9.490 -3.757 555 H LEU 70 H LEU 70 2.823 -10.315 0.765 556 HA LEU 70 HA LEU 70 5.300 -11.581 1.349 557 HB2 LEU 70 2HB LEU 70 2.496 -12.714 1.392 558 HB3 LEU 70 1HB LEU 70 3.906 -13.508 2.071 559 HG LEU 70 HG LEU 70 2.705 -10.894 3.015 560 HD11 LEU 70 1HD1 LEU 70 2.143 -12.131 5.041 561 HD12 LEU 70 2HD1 LEU 70 2.785 -13.611 4.328 562 HD13 LEU 70 3HD1 LEU 70 1.365 -12.838 3.625 563 HD21 LEU 70 3HD2 LEU 70 5.122 -10.856 3.278 564 HD22 LEU 70 1HD2 LEU 70 5.085 -12.428 4.083 565 HD23 LEU 70 2HD2 LEU 70 4.337 -11.022 4.847 566 H GLU 71 H GLU 71 6.497 -11.975 -0.465 567 HA GLU 71 HA GLU 71 5.383 -13.229 -2.818 568 HB2 GLU 71 2HB GLU 71 7.077 -11.490 -3.042 569 HB3 GLU 71 1HB GLU 71 8.220 -12.446 -2.110 570 HG2 GLU 71 2HG GLU 71 8.136 -14.178 -3.899 571 HG3 GLU 71 1HG GLU 71 7.123 -13.083 -4.843 Start of MODEL 5 1 H1 MET 1 1H MET 1 -13.843 -4.851 8.428 2 H2 MET 1 2H MET 1 -14.448 -5.541 7.010 3 H3 MET 1 3H MET 1 -15.131 -5.947 8.502 4 HA MET 1 HA MET 1 -16.566 -4.434 7.337 5 HB2 MET 1 2HB MET 1 -16.436 -4.333 9.795 6 HB3 MET 1 1HB MET 1 -15.145 -3.146 9.682 7 HG2 MET 1 2HG MET 1 -16.698 -1.588 8.582 8 HG3 MET 1 1HG MET 1 -17.992 -2.772 8.765 9 HE1 MET 1 3HE MET 1 -18.978 -0.034 11.389 10 HE2 MET 1 1HE MET 1 -19.527 -0.998 10.018 11 HE3 MET 1 2HE MET 1 -18.265 0.215 9.795 12 H SER 2 H SER 2 -16.355 -3.367 5.463 13 HA SER 2 HA SER 2 -15.993 -1.659 4.016 14 HB2 SER 2 2HB SER 2 -16.500 -0.242 6.021 15 HB3 SER 2 1HB SER 2 -14.773 -0.158 6.350 16 HG SER 2 HG SER 2 -15.250 1.647 5.190 17 H GLU 3 H GLU 3 -13.918 -3.715 4.348 18 HA GLU 3 HA GLU 3 -11.447 -2.231 3.832 19 HB2 GLU 3 2HB GLU 3 -10.343 -4.474 3.795 20 HB3 GLU 3 1HB GLU 3 -11.119 -4.068 5.314 21 HG2 GLU 3 2HG GLU 3 -12.566 -5.725 3.280 22 HG3 GLU 3 1HG GLU 3 -11.362 -6.458 4.343 23 H SER 4 H SER 4 -13.908 -2.771 1.882 24 HA SER 4 HA SER 4 -12.863 -4.069 -0.389 25 HB2 SER 4 2HB SER 4 -14.889 -1.821 -0.199 26 HB3 SER 4 1HB SER 4 -14.519 -2.681 -1.693 27 HG SER 4 HG SER 4 -15.869 -4.139 -1.060 28 H ILE 5 H ILE 5 -12.641 -0.679 0.640 29 HA ILE 5 HA ILE 5 -11.158 0.293 -1.549 30 HB ILE 5 HB ILE 5 -12.227 1.770 0.103 31 HG12 ILE 5 2HG1 ILE 5 -9.221 2.172 -0.030 32 HG13 ILE 5 1HG1 ILE 5 -10.365 2.627 -1.288 33 HG21 ILE 5 1HG2 ILE 5 -11.775 0.475 2.124 34 HG22 ILE 5 2HG2 ILE 5 -11.228 2.139 2.308 35 HG23 ILE 5 3HG2 ILE 5 -10.058 0.857 1.999 36 HD11 ILE 5 3HD1 ILE 5 -10.238 3.774 1.494 37 HD12 ILE 5 1HD1 ILE 5 -11.415 4.214 0.257 38 HD13 ILE 5 2HD1 ILE 5 -9.704 4.555 0.006 39 H VAL 6 H VAL 6 -10.206 -1.484 1.328 40 HA VAL 6 HA VAL 6 -7.395 -1.133 1.064 41 HB VAL 6 HB VAL 6 -8.928 -3.353 2.452 42 HG11 VAL 6 1HG1 VAL 6 -6.844 -3.732 3.716 43 HG12 VAL 6 2HG1 VAL 6 -6.022 -2.553 2.697 44 HG13 VAL 6 3HG1 VAL 6 -6.639 -4.045 1.991 45 HG21 VAL 6 3HG2 VAL 6 -9.448 -1.131 3.345 46 HG22 VAL 6 1HG2 VAL 6 -7.729 -0.807 3.561 47 HG23 VAL 6 2HG2 VAL 6 -8.512 -2.074 4.505 48 H THR 7 H THR 7 -9.687 -3.558 -0.169 49 HA THR 7 HA THR 7 -7.956 -5.344 -1.404 50 HB THR 7 HB THR 7 -10.559 -4.287 -2.565 51 HG1 THR 7 HG1 THR 7 -11.146 -6.529 -1.613 52 HG21 THR 7 3HG2 THR 7 -9.072 -6.857 -3.153 53 HG22 THR 7 1HG2 THR 7 -9.226 -5.480 -4.245 54 HG23 THR 7 2HG2 THR 7 -10.653 -6.412 -3.793 55 H LYS 8 H LYS 8 -9.133 -2.210 -2.615 56 HA LYS 8 HA LYS 8 -7.739 -2.168 -5.051 57 HB2 LYS 8 2HB LYS 8 -9.516 -0.557 -4.482 58 HB3 LYS 8 1HB LYS 8 -8.478 0.162 -3.256 59 HG2 LYS 8 2HG LYS 8 -6.885 0.821 -5.024 60 HG3 LYS 8 1HG LYS 8 -7.976 0.151 -6.236 61 HD2 LYS 8 2HD LYS 8 -8.630 2.414 -4.336 62 HD3 LYS 8 1HD LYS 8 -8.205 2.592 -6.040 63 HE2 LYS 8 2HE LYS 8 -10.191 1.298 -6.670 64 HE3 LYS 8 1HE LYS 8 -10.616 1.112 -4.968 65 HZ1 LYS 8 3HZ LYS 8 -11.873 2.890 -5.985 66 HZ2 LYS 8 1HZ LYS 8 -10.452 3.683 -6.446 67 HZ3 LYS 8 2HZ LYS 8 -10.840 3.517 -4.807 68 H ILE 9 H ILE 9 -6.784 -0.904 -1.849 69 HA ILE 9 HA ILE 9 -4.282 0.120 -2.455 70 HB ILE 9 HB ILE 9 -5.134 -1.315 0.076 71 HG12 ILE 9 2HG1 ILE 9 -5.095 1.634 -0.644 72 HG13 ILE 9 1HG1 ILE 9 -6.535 0.629 -0.505 73 HG21 ILE 9 1HG2 ILE 9 -3.302 -0.100 1.182 74 HG22 ILE 9 2HG2 ILE 9 -2.778 0.524 -0.384 75 HG23 ILE 9 3HG2 ILE 9 -2.703 -1.208 -0.053 76 HD11 ILE 9 3HD1 ILE 9 -4.643 1.342 1.728 77 HD12 ILE 9 1HD1 ILE 9 -6.074 0.322 1.881 78 HD13 ILE 9 2HD1 ILE 9 -6.244 2.025 1.453 79 H ILE 10 H ILE 10 -5.069 -3.232 -1.513 80 HA ILE 10 HA ILE 10 -2.467 -4.291 -1.705 81 HB ILE 10 HB ILE 10 -5.109 -5.708 -2.166 82 HG12 ILE 10 2HG1 ILE 10 -3.427 -5.451 0.351 83 HG13 ILE 10 1HG1 ILE 10 -4.939 -4.601 0.046 84 HG21 ILE 10 1HG2 ILE 10 -2.387 -6.852 -1.523 85 HG22 ILE 10 2HG2 ILE 10 -3.233 -6.981 -3.064 86 HG23 ILE 10 3HG2 ILE 10 -3.893 -7.767 -1.630 87 HD11 ILE 10 3HD1 ILE 10 -4.604 -7.583 0.294 88 HD12 ILE 10 1HD1 ILE 10 -6.120 -6.735 -0.014 89 HD13 ILE 10 2HD1 ILE 10 -5.272 -6.497 1.512 90 H SER 11 H SER 11 -5.073 -4.107 -4.141 91 HA SER 11 HA SER 11 -3.601 -5.389 -6.206 92 HB2 SER 11 2HB SER 11 -5.334 -4.533 -7.739 93 HB3 SER 11 1HB SER 11 -6.042 -5.261 -6.300 94 HG SER 11 HG SER 11 -5.542 -2.539 -6.141 95 H ILE 12 H ILE 12 -3.503 -2.151 -4.986 96 HA ILE 12 HA ILE 12 -2.188 -0.986 -7.262 97 HB ILE 12 HB ILE 12 -2.244 -0.099 -4.363 98 HG12 ILE 12 2HG1 ILE 12 -3.705 1.025 -6.772 99 HG13 ILE 12 1HG1 ILE 12 -4.427 -0.074 -5.602 100 HG21 ILE 12 1HG2 ILE 12 -0.239 0.758 -5.454 101 HG22 ILE 12 2HG2 ILE 12 -1.392 2.063 -5.176 102 HG23 ILE 12 3HG2 ILE 12 -1.211 1.376 -6.790 103 HD11 ILE 12 3HD1 ILE 12 -5.050 2.234 -5.173 104 HD12 ILE 12 1HD1 ILE 12 -3.351 2.671 -5.004 105 HD13 ILE 12 2HD1 ILE 12 -4.099 1.575 -3.842 106 H VAL 13 H VAL 13 -1.072 -2.336 -4.154 107 HA VAL 13 HA VAL 13 1.693 -2.085 -4.587 108 HB VAL 13 HB VAL 13 0.273 -4.302 -3.078 109 HG11 VAL 13 1HG1 VAL 13 2.622 -4.812 -3.505 110 HG12 VAL 13 2HG1 VAL 13 2.361 -4.472 -1.796 111 HG13 VAL 13 3HG1 VAL 13 3.099 -3.252 -2.833 112 HG21 VAL 13 3HG2 VAL 13 1.267 -1.631 -2.058 113 HG22 VAL 13 1HG2 VAL 13 0.539 -2.913 -1.087 114 HG23 VAL 13 2HG2 VAL 13 -0.424 -2.073 -2.305 115 H GLN 14 H GLN 14 -0.568 -4.684 -5.450 116 HA GLN 14 HA GLN 14 1.288 -6.375 -6.755 117 HB2 GLN 14 2HB GLN 14 -1.017 -7.042 -6.045 118 HB3 GLN 14 1HB GLN 14 -1.671 -6.050 -7.341 119 HG2 GLN 14 2HG GLN 14 -1.693 -8.272 -8.128 120 HG3 GLN 14 1HG GLN 14 -0.354 -7.477 -8.950 121 HE21 GLN 14 1HE2 GLN 14 0.727 -9.363 -9.370 122 HE22 GLN 14 2HE2 GLN 14 1.485 -10.313 -8.143 123 H GLU 15 H GLU 15 -0.831 -3.789 -7.972 124 HA GLU 15 HA GLU 15 -0.338 -3.922 -10.681 125 HB2 GLU 15 2HB GLU 15 -2.015 -2.449 -9.774 126 HB3 GLU 15 1HB GLU 15 -0.806 -1.509 -8.918 127 HG2 GLU 15 2HG GLU 15 -0.559 -1.651 -11.875 128 HG3 GLU 15 1HG GLU 15 -1.906 -0.723 -11.219 129 H ARG 16 H ARG 16 1.518 -1.971 -8.314 130 HA ARG 16 HA ARG 16 3.457 -1.090 -10.147 131 HB2 ARG 16 2HB ARG 16 3.485 -1.355 -7.151 132 HB3 ARG 16 1HB ARG 16 4.904 -0.796 -8.027 133 HG2 ARG 16 2HG ARG 16 2.184 0.510 -7.975 134 HG3 ARG 16 1HG ARG 16 3.665 1.100 -7.217 135 HD2 ARG 16 2HD ARG 16 4.666 1.121 -9.568 136 HD3 ARG 16 1HD ARG 16 3.016 0.908 -10.154 137 HE ARG 16 HE ARG 16 4.011 3.246 -8.662 138 HH11 ARG 16 1HH1 ARG 16 1.656 1.801 -10.734 139 HH12 ARG 16 2HH1 ARG 16 0.945 3.324 -11.140 140 HH21 ARG 16 1HH2 ARG 16 3.091 5.162 -9.180 141 HH22 ARG 16 2HH2 ARG 16 1.745 5.212 -10.274 142 H GLN 17 H GLN 17 3.383 -4.041 -8.145 143 HA GLN 17 HA GLN 17 5.998 -4.869 -9.008 144 HB2 GLN 17 2HB GLN 17 3.769 -6.317 -7.588 145 HB3 GLN 17 1HB GLN 17 5.233 -7.148 -8.101 146 HG2 GLN 17 2HG GLN 17 6.507 -5.363 -6.790 147 HG3 GLN 17 1HG GLN 17 4.949 -4.943 -6.081 148 HE21 GLN 17 1HE2 GLN 17 5.729 -5.552 -4.027 149 HE22 GLN 17 2HE2 GLN 17 5.912 -7.214 -3.583 150 H ASN 18 H ASN 18 2.918 -4.948 -10.499 151 HA ASN 18 HA ASN 18 3.610 -7.013 -12.415 152 HB2 ASN 18 2HB ASN 18 1.382 -4.959 -12.394 153 HB3 ASN 18 1HB ASN 18 1.570 -6.197 -13.632 154 HD21 ASN 18 1HD2 ASN 18 -0.595 -5.731 -11.707 155 HD22 ASN 18 2HD2 ASN 18 -0.763 -7.209 -10.827 156 H MET 19 H MET 19 3.404 -3.458 -12.415 157 HA MET 19 HA MET 19 4.467 -3.112 -15.041 158 HB2 MET 19 2HB MET 19 4.387 -1.168 -12.712 159 HB3 MET 19 1HB MET 19 4.746 -0.743 -14.381 160 HG2 MET 19 2HG MET 19 2.133 -1.825 -13.336 161 HG3 MET 19 1HG MET 19 2.462 -0.167 -13.836 162 HE1 MET 19 3HE MET 19 3.047 -0.601 -17.698 163 HE2 MET 19 1HE MET 19 4.287 -0.667 -16.444 164 HE3 MET 19 2HE MET 19 3.000 0.534 -16.353 165 H ASP 20 H ASP 20 5.982 -2.231 -11.916 166 HA ASP 20 HA ASP 20 8.636 -2.530 -13.026 167 HB2 ASP 20 2HB ASP 20 7.784 -2.011 -10.158 168 HB3 ASP 20 1HB ASP 20 9.415 -1.839 -10.805 169 H ASP 21 H ASP 21 9.273 -4.566 -13.419 170 HA ASP 21 HA ASP 21 8.153 -6.885 -12.465 171 HB2 ASP 21 2HB ASP 21 10.997 -6.536 -13.428 172 HB3 ASP 21 1HB ASP 21 10.099 -8.053 -13.377 173 H GLY 22 H GLY 22 7.896 -7.013 -10.263 174 HA2 GLY 22 2HA GLY 22 8.420 -7.836 -8.181 175 HA3 GLY 22 1HA GLY 22 9.958 -8.358 -8.847 176 H ALA 23 H ALA 23 8.863 -5.008 -8.776 177 HA ALA 23 HA ALA 23 11.183 -4.345 -7.099 178 HB1 ALA 23 3HB ALA 23 10.968 -3.170 -9.236 179 HB2 ALA 23 1HB ALA 23 10.879 -2.057 -7.870 180 HB3 ALA 23 2HB ALA 23 9.408 -2.525 -8.723 181 HA PRO 24 HA PRO 24 8.713 -3.449 -3.501 182 HB2 PRO 24 2HB PRO 24 10.272 -1.517 -2.342 183 HB3 PRO 24 1HB PRO 24 10.653 -3.241 -2.291 184 HG2 PRO 24 2HG PRO 24 11.723 -1.118 -4.118 185 HG3 PRO 24 1HG PRO 24 12.598 -2.414 -3.280 186 HD2 PRO 24 2HD PRO 24 11.939 -2.599 -5.887 187 HD3 PRO 24 1HD PRO 24 11.943 -4.022 -4.823 188 H VAL 25 H VAL 25 6.969 -2.218 -3.174 189 HA VAL 25 HA VAL 25 6.478 0.042 -4.911 190 HB VAL 25 HB VAL 25 4.661 -1.178 -2.818 191 HG11 VAL 25 1HG1 VAL 25 2.846 -0.159 -4.139 192 HG12 VAL 25 2HG1 VAL 25 4.047 0.596 -5.189 193 HG13 VAL 25 3HG1 VAL 25 3.952 1.053 -3.488 194 HG21 VAL 25 3HG2 VAL 25 5.356 -2.863 -4.438 195 HG22 VAL 25 1HG2 VAL 25 4.891 -1.799 -5.768 196 HG23 VAL 25 2HG2 VAL 25 3.659 -2.438 -4.677 197 H LYS 26 H LYS 26 5.918 2.145 -4.250 198 HA LYS 26 HA LYS 26 7.047 2.934 -1.651 199 HB2 LYS 26 2HB LYS 26 6.374 4.650 -4.058 200 HB3 LYS 26 1HB LYS 26 7.143 5.210 -2.586 201 HG2 LYS 26 2HG LYS 26 8.803 4.993 -4.291 202 HG3 LYS 26 1HG LYS 26 9.077 3.740 -3.083 203 HD2 LYS 26 2HD LYS 26 8.195 2.048 -4.506 204 HD3 LYS 26 1HD LYS 26 7.531 3.238 -5.627 205 HE2 LYS 26 2HE LYS 26 10.483 2.891 -5.106 206 HE3 LYS 26 1HE LYS 26 9.616 2.085 -6.414 207 HZ1 LYS 26 3HZ LYS 26 9.705 5.028 -6.052 208 HZ2 LYS 26 1HZ LYS 26 9.058 4.181 -7.363 209 HZ3 LYS 26 2HZ LYS 26 10.727 4.168 -7.089 210 H THR 27 H THR 27 5.904 4.227 -0.188 211 HA THR 27 HA THR 27 3.145 3.910 0.066 212 HB THR 27 HB THR 27 4.815 6.151 1.246 213 HG1 THR 27 HG1 THR 27 5.344 4.738 2.822 214 HG21 THR 27 3HG2 THR 27 2.406 6.568 1.468 215 HG22 THR 27 1HG2 THR 27 3.119 6.176 3.034 216 HG23 THR 27 2HG2 THR 27 2.183 4.962 2.161 217 H ARG 28 H ARG 28 4.948 6.442 -1.597 218 HA ARG 28 HA ARG 28 2.897 8.347 -1.878 219 HB2 ARG 28 2HB ARG 28 5.424 7.777 -3.385 220 HB3 ARG 28 1HB ARG 28 4.269 8.916 -4.065 221 HG2 ARG 28 2HG ARG 28 5.902 10.147 -2.841 222 HG3 ARG 28 1HG ARG 28 4.381 10.220 -1.954 223 HD2 ARG 28 2HD ARG 28 5.203 8.434 -0.456 224 HD3 ARG 28 1HD ARG 28 6.740 8.441 -1.324 225 HE ARG 28 HE ARG 28 5.692 10.688 0.278 226 HH11 ARG 28 1HH1 ARG 28 8.331 8.965 -1.107 227 HH12 ARG 28 2HH1 ARG 28 9.518 9.995 -0.383 228 HH21 ARG 28 1HH2 ARG 28 7.225 11.978 1.221 229 HH22 ARG 28 2HH2 ARG 28 8.903 11.661 0.931 230 H ASP 29 H ASP 29 3.930 5.834 -4.220 231 HA ASP 29 HA ASP 29 2.045 6.298 -6.195 232 HB2 ASP 29 2HB ASP 29 3.160 3.628 -5.303 233 HB3 ASP 29 1HB ASP 29 2.374 3.940 -6.849 234 H ILE 30 H ILE 30 1.768 4.150 -3.376 235 HA ILE 30 HA ILE 30 -0.807 3.171 -3.868 236 HB ILE 30 HB ILE 30 0.477 3.648 -1.167 237 HG12 ILE 30 2HG1 ILE 30 0.545 1.183 -2.937 238 HG13 ILE 30 1HG1 ILE 30 1.886 2.302 -2.713 239 HG21 ILE 30 1HG2 ILE 30 -1.917 3.212 -0.995 240 HG22 ILE 30 2HG2 ILE 30 -0.996 1.834 -0.393 241 HG23 ILE 30 3HG2 ILE 30 -1.743 1.768 -1.990 242 HD11 ILE 30 3HD1 ILE 30 2.190 0.318 -1.371 243 HD12 ILE 30 1HD1 ILE 30 0.635 0.580 -0.583 244 HD13 ILE 30 2HD1 ILE 30 1.956 1.723 -0.332 245 H ALA 31 H ALA 31 0.230 6.052 -2.061 246 HA ALA 31 HA ALA 31 -2.293 6.829 -1.093 247 HB1 ALA 31 3HB ALA 31 -1.271 9.012 -0.690 248 HB2 ALA 31 1HB ALA 31 0.097 8.561 -1.711 249 HB3 ALA 31 2HB ALA 31 -0.197 7.701 -0.200 250 H ASP 32 H ASP 32 -0.510 8.096 -3.936 251 HA ASP 32 HA ASP 32 -2.589 9.762 -4.857 252 HB2 ASP 32 2HB ASP 32 -0.192 8.549 -6.231 253 HB3 ASP 32 1HB ASP 32 -1.309 9.626 -7.068 254 H ALA 33 H ALA 33 -1.737 6.424 -5.751 255 HA ALA 33 HA ALA 33 -3.649 6.112 -7.800 256 HB1 ALA 33 3HB ALA 33 -1.761 4.590 -7.513 257 HB2 ALA 33 1HB ALA 33 -3.291 3.712 -7.532 258 HB3 ALA 33 2HB ALA 33 -2.457 4.000 -6.004 259 H ALA 34 H ALA 34 -3.869 5.551 -4.302 260 HA ALA 34 HA ALA 34 -6.628 4.668 -4.462 261 HB1 ALA 34 3HB ALA 34 -6.525 4.588 -2.015 262 HB2 ALA 34 1HB ALA 34 -4.934 5.347 -2.056 263 HB3 ALA 34 2HB ALA 34 -5.162 3.740 -2.746 264 H GLY 35 H GLY 35 -4.986 7.670 -4.232 265 HA2 GLY 35 2HA GLY 35 -5.850 9.817 -4.353 266 HA3 GLY 35 1HA GLY 35 -7.466 9.142 -4.242 267 H LEU 36 H LEU 36 -5.143 8.303 -1.805 268 HA LEU 36 HA LEU 36 -6.692 9.911 0.138 269 HB2 LEU 36 2HB LEU 36 -5.201 7.321 0.595 270 HB3 LEU 36 1HB LEU 36 -6.115 8.204 1.803 271 HG LEU 36 HG LEU 36 -7.264 6.870 -0.658 272 HD11 LEU 36 1HD1 LEU 36 -8.311 5.344 0.969 273 HD12 LEU 36 2HD1 LEU 36 -7.419 6.134 2.267 274 HD13 LEU 36 3HD1 LEU 36 -6.549 5.255 1.010 275 HD21 LEU 36 3HD2 LEU 36 -8.518 8.886 -0.069 276 HD22 LEU 36 1HD2 LEU 36 -8.657 8.329 1.598 277 HD23 LEU 36 2HD2 LEU 36 -9.452 7.437 0.300 278 H SER 37 H SER 37 -5.365 10.141 2.294 279 HA SER 37 HA SER 37 -2.996 11.686 1.643 280 HB2 SER 37 2HB SER 37 -4.274 11.163 4.341 281 HB3 SER 37 1HB SER 37 -3.060 12.390 3.986 282 HG SER 37 HG SER 37 -4.716 13.151 2.376 283 H ILE 38 H ILE 38 -0.904 11.354 2.460 284 HA ILE 38 HA ILE 38 0.150 8.812 2.414 285 HB ILE 38 HB ILE 38 1.269 11.235 3.838 286 HG12 ILE 38 2HG1 ILE 38 0.822 11.545 1.413 287 HG13 ILE 38 1HG1 ILE 38 2.538 11.615 1.793 288 HG21 ILE 38 1HG2 ILE 38 2.367 9.216 4.648 289 HG22 ILE 38 2HG2 ILE 38 3.465 10.134 3.617 290 HG23 ILE 38 3HG2 ILE 38 2.670 8.691 2.990 291 HD11 ILE 38 3HD1 ILE 38 1.105 9.232 0.627 292 HD12 ILE 38 1HD1 ILE 38 2.832 9.350 0.964 293 HD13 ILE 38 2HD1 ILE 38 2.103 10.381 -0.265 294 H TYR 39 H TYR 39 -0.564 10.701 5.376 295 HA TYR 39 HA TYR 39 0.330 8.776 7.218 296 HB2 TYR 39 2HB TYR 39 -0.085 11.134 7.812 297 HB3 TYR 39 1HB TYR 39 -1.816 10.885 7.601 298 HD1 TYR 39 HD2 TYR 39 1.088 9.588 9.569 299 HD2 TYR 39 HD1 TYR 39 -3.109 10.321 9.475 300 HE1 TYR 39 HE2 TYR 39 0.920 8.918 11.926 301 HE2 TYR 39 HE1 TYR 39 -3.283 9.651 11.837 302 HH TYR 39 HH TYR 39 -2.094 8.359 13.482 303 H GLN 40 H GLN 40 -2.984 9.412 6.057 304 HA GLN 40 HA GLN 40 -4.302 7.401 7.486 305 HB2 GLN 40 2HB GLN 40 -5.499 9.178 6.322 306 HB3 GLN 40 1HB GLN 40 -4.938 8.579 4.768 307 HG2 GLN 40 2HG GLN 40 -6.240 6.551 5.047 308 HG3 GLN 40 1HG GLN 40 -6.755 7.080 6.649 309 HE21 GLN 40 1HE2 GLN 40 -8.306 8.702 6.826 310 HE22 GLN 40 2HE2 GLN 40 -9.254 9.217 5.476 311 H VAL 41 H VAL 41 -3.018 7.281 4.158 312 HA VAL 41 HA VAL 41 -3.501 4.602 3.583 313 HB VAL 41 HB VAL 41 -1.210 6.379 2.703 314 HG11 VAL 41 1HG1 VAL 41 -0.525 4.062 2.434 315 HG12 VAL 41 2HG1 VAL 41 -0.870 4.774 0.858 316 HG13 VAL 41 3HG1 VAL 41 -2.038 3.685 1.606 317 HG21 VAL 41 3HG2 VAL 41 -3.476 7.117 2.066 318 HG22 VAL 41 1HG2 VAL 41 -3.746 5.565 1.270 319 HG23 VAL 41 2HG2 VAL 41 -2.504 6.663 0.671 320 H ARG 42 H ARG 42 -0.641 6.059 5.131 321 HA ARG 42 HA ARG 42 0.893 3.792 5.529 322 HB2 ARG 42 2HB ARG 42 1.867 5.894 6.032 323 HB3 ARG 42 1HB ARG 42 0.591 6.305 7.172 324 HG2 ARG 42 2HG ARG 42 1.397 4.637 8.732 325 HG3 ARG 42 1HG ARG 42 2.622 4.110 7.578 326 HD2 ARG 42 2HD ARG 42 3.791 6.182 7.754 327 HD3 ARG 42 1HD ARG 42 2.469 6.922 8.658 328 HE ARG 42 HE ARG 42 3.017 5.273 10.452 329 HH11 ARG 42 1HH1 ARG 42 5.444 6.194 8.180 330 HH12 ARG 42 2HH1 ARG 42 6.732 5.916 9.295 331 HH21 ARG 42 1HH2 ARG 42 4.685 4.907 11.846 332 HH22 ARG 42 2HH2 ARG 42 6.311 5.189 11.337 333 H LEU 43 H LEU 43 -1.734 5.051 7.591 334 HA LEU 43 HA LEU 43 -1.541 3.246 9.707 335 HB2 LEU 43 2HB LEU 43 -4.041 4.458 8.503 336 HB3 LEU 43 1HB LEU 43 -3.961 3.672 10.070 337 HG LEU 43 HG LEU 43 -2.492 6.208 9.307 338 HD11 LEU 43 1HD1 LEU 43 -4.888 6.570 9.510 339 HD12 LEU 43 2HD1 LEU 43 -4.032 7.303 10.867 340 HD13 LEU 43 3HD1 LEU 43 -4.892 5.778 11.086 341 HD21 LEU 43 3HD2 LEU 43 -1.936 6.334 11.706 342 HD22 LEU 43 1HD2 LEU 43 -1.228 4.914 10.935 343 HD23 LEU 43 2HD2 LEU 43 -2.663 4.743 11.947 344 H TYR 44 H TYR 44 -3.393 2.945 6.678 345 HA TYR 44 HA TYR 44 -4.407 0.350 7.156 346 HB2 TYR 44 2HB TYR 44 -3.793 1.716 4.522 347 HB3 TYR 44 1HB TYR 44 -4.719 0.227 4.684 348 HD1 TYR 44 HD1 TYR 44 -6.707 0.475 6.533 349 HD2 TYR 44 HD2 TYR 44 -5.047 3.644 4.217 350 HE1 TYR 44 HE1 TYR 44 -8.774 1.771 6.834 351 HE2 TYR 44 HE2 TYR 44 -7.112 4.945 4.515 352 HH TYR 44 HH TYR 44 -9.523 4.510 5.011 353 H LEU 45 H LEU 45 -1.446 1.415 5.508 354 HA LEU 45 HA LEU 45 -0.592 -1.117 4.620 355 HB2 LEU 45 2HB LEU 45 1.095 1.292 5.327 356 HB3 LEU 45 1HB LEU 45 1.623 -0.081 4.370 357 HG LEU 45 HG LEU 45 -0.532 1.894 3.586 358 HD11 LEU 45 1HD1 LEU 45 2.255 1.498 2.492 359 HD12 LEU 45 2HD1 LEU 45 1.707 2.855 3.478 360 HD13 LEU 45 3HD1 LEU 45 1.042 2.616 1.863 361 HD21 LEU 45 3HD2 LEU 45 -1.022 -0.338 2.729 362 HD22 LEU 45 1HD2 LEU 45 0.605 -0.448 2.053 363 HD23 LEU 45 2HD2 LEU 45 -0.536 0.742 1.424 364 H GLU 46 H GLU 46 0.102 0.637 7.628 365 HA GLU 46 HA GLU 46 1.931 -1.149 8.768 366 HB2 GLU 46 2HB GLU 46 -0.136 0.597 10.128 367 HB3 GLU 46 1HB GLU 46 1.189 -0.208 10.960 368 HG2 GLU 46 2HG GLU 46 2.790 1.086 9.603 369 HG3 GLU 46 1HG GLU 46 1.439 1.920 8.838 370 H GLN 47 H GLN 47 -1.627 -1.119 8.900 371 HA GLN 47 HA GLN 47 -1.811 -3.442 10.564 372 HB2 GLN 47 2HB GLN 47 -3.897 -2.197 8.753 373 HB3 GLN 47 1HB GLN 47 -4.210 -3.427 9.970 374 HG2 GLN 47 2HG GLN 47 -3.210 -0.628 10.474 375 HG3 GLN 47 1HG GLN 47 -4.832 -1.236 10.799 376 HE21 GLN 47 1HE2 GLN 47 -2.832 -0.061 12.600 377 HE22 GLN 47 2HE2 GLN 47 -2.581 -1.225 13.849 378 H LEU 48 H LEU 48 -1.757 -2.932 7.067 379 HA LEU 48 HA LEU 48 -2.354 -5.598 6.321 380 HB2 LEU 48 2HB LEU 48 -0.782 -3.441 4.909 381 HB3 LEU 48 1HB LEU 48 -1.154 -4.994 4.182 382 HG LEU 48 HG LEU 48 -3.197 -2.949 5.089 383 HD11 LEU 48 1HD1 LEU 48 -3.653 -2.656 2.705 384 HD12 LEU 48 2HD1 LEU 48 -2.335 -3.761 2.311 385 HD13 LEU 48 3HD1 LEU 48 -1.989 -2.222 3.101 386 HD21 LEU 48 3HD2 LEU 48 -4.837 -4.406 4.010 387 HD22 LEU 48 1HD2 LEU 48 -4.015 -5.242 5.325 388 HD23 LEU 48 2HD2 LEU 48 -3.571 -5.582 3.651 389 H HIS 49 H HIS 49 0.620 -4.047 7.360 390 HA HIS 49 HA HIS 49 2.314 -6.289 6.826 391 HB2 HIS 49 2HB HIS 49 3.233 -4.036 7.127 392 HB3 HIS 49 1HB HIS 49 2.646 -3.999 8.786 393 HD1 HIS 49 HD1 HIS 49 4.004 -5.287 10.546 394 HD2 HIS 49 HD2 HIS 49 5.534 -5.609 6.704 395 HE1 HIS 49 HE1 HIS 49 6.281 -6.295 10.818 396 HE2 HIS 49 HE2 HIS 49 7.131 -6.611 8.473 397 H ASP 50 H ASP 50 0.162 -5.392 9.400 398 HA ASP 50 HA ASP 50 1.172 -7.171 11.395 399 HB2 ASP 50 2HB ASP 50 -0.153 -5.075 11.821 400 HB3 ASP 50 1HB ASP 50 -1.578 -5.910 11.214 401 H VAL 51 H VAL 51 -1.724 -7.273 9.292 402 HA VAL 51 HA VAL 51 -2.559 -9.843 10.221 403 HB VAL 51 HB VAL 51 -4.260 -9.745 8.454 404 HG11 VAL 51 1HG1 VAL 51 -5.416 -7.720 9.228 405 HG12 VAL 51 2HG1 VAL 51 -3.911 -7.138 9.945 406 HG13 VAL 51 3HG1 VAL 51 -4.677 -8.601 10.567 407 HG21 VAL 51 3HG2 VAL 51 -2.889 -7.192 7.586 408 HG22 VAL 51 1HG2 VAL 51 -4.403 -7.829 6.943 409 HG23 VAL 51 2HG2 VAL 51 -2.896 -8.711 6.690 410 H GLY 52 H GLY 52 -0.165 -8.977 7.974 411 HA2 GLY 52 2HA GLY 52 1.326 -10.593 7.083 412 HA3 GLY 52 1HA GLY 52 0.048 -11.791 7.157 413 H VAL 53 H VAL 53 0.196 -8.581 5.613 414 HA VAL 53 HA VAL 53 -0.297 -9.890 3.003 415 HB VAL 53 HB VAL 53 -1.198 -7.130 3.885 416 HG11 VAL 53 1HG1 VAL 53 -1.647 -8.575 1.264 417 HG12 VAL 53 2HG1 VAL 53 -0.637 -7.151 1.513 418 HG13 VAL 53 3HG1 VAL 53 -2.383 -7.040 1.725 419 HG21 VAL 53 3HG2 VAL 53 -2.512 -8.930 4.909 420 HG22 VAL 53 1HG2 VAL 53 -2.827 -9.614 3.316 421 HG23 VAL 53 2HG2 VAL 53 -3.469 -8.026 3.737 422 H LEU 54 H LEU 54 1.143 -6.956 4.476 423 HA LEU 54 HA LEU 54 3.020 -6.831 2.191 424 HB2 LEU 54 2HB LEU 54 2.066 -4.573 3.961 425 HB3 LEU 54 1HB LEU 54 3.200 -4.422 2.633 426 HG LEU 54 HG LEU 54 0.287 -5.200 2.384 427 HD11 LEU 54 1HD1 LEU 54 1.720 -2.659 1.610 428 HD12 LEU 54 2HD1 LEU 54 0.606 -2.851 2.963 429 HD13 LEU 54 3HD1 LEU 54 0.020 -3.028 1.310 430 HD21 LEU 54 3HD2 LEU 54 2.374 -4.744 0.249 431 HD22 LEU 54 1HD2 LEU 54 0.655 -5.016 -0.032 432 HD23 LEU 54 2HD2 LEU 54 1.644 -6.289 0.680 433 H GLU 55 H GLU 55 5.194 -6.445 2.570 434 HA GLU 55 HA GLU 55 6.090 -6.570 5.376 435 HB2 GLU 55 2HB GLU 55 6.842 -8.486 4.064 436 HB3 GLU 55 1HB GLU 55 7.537 -7.418 2.854 437 HG2 GLU 55 2HG GLU 55 9.252 -8.359 4.309 438 HG3 GLU 55 1HG GLU 55 9.167 -6.606 4.461 439 H LYS 56 H LYS 56 7.369 -5.008 6.187 440 HA LYS 56 HA LYS 56 7.629 -2.551 4.654 441 HB2 LYS 56 2HB LYS 56 6.732 -2.525 6.955 442 HB3 LYS 56 1HB LYS 56 8.251 -3.166 7.557 443 HG2 LYS 56 2HG LYS 56 8.041 -0.772 7.971 444 HG3 LYS 56 1HG LYS 56 9.401 -1.127 6.905 445 HD2 LYS 56 2HD LYS 56 8.326 -0.249 5.030 446 HD3 LYS 56 1HD LYS 56 6.722 -0.410 5.752 447 HE2 LYS 56 2HE LYS 56 7.561 1.944 5.593 448 HE3 LYS 56 1HE LYS 56 7.115 1.433 7.221 449 HZ1 LYS 56 3HZ LYS 56 9.425 1.106 7.741 450 HZ2 LYS 56 1HZ LYS 56 9.208 2.675 7.154 451 HZ3 LYS 56 2HZ LYS 56 9.886 1.489 6.161 452 H VAL 57 H VAL 57 9.309 -2.725 3.249 453 HA VAL 57 HA VAL 57 11.773 -4.033 3.813 454 HB VAL 57 HB VAL 57 11.197 -1.989 1.654 455 HG11 VAL 57 1HG1 VAL 57 13.587 -2.361 1.969 456 HG12 VAL 57 2HG1 VAL 57 13.046 -3.060 0.441 457 HG13 VAL 57 3HG1 VAL 57 13.349 -4.104 1.831 458 HG21 VAL 57 3HG2 VAL 57 10.926 -4.997 1.569 459 HG22 VAL 57 1HG2 VAL 57 10.719 -3.901 0.199 460 HG23 VAL 57 2HG2 VAL 57 9.601 -3.831 1.562 461 H ASN 58 H ASN 58 13.200 -3.318 5.257 462 HA ASN 58 HA ASN 58 14.027 -0.494 5.193 463 HB2 ASN 58 2HB ASN 58 12.443 -1.000 7.123 464 HB3 ASN 58 1HB ASN 58 13.695 -2.059 7.764 465 HD21 ASN 58 1HD2 ASN 58 15.479 -1.167 8.727 466 HD22 ASN 58 2HD2 ASN 58 15.636 0.525 9.042 467 H ALA 59 H ALA 59 16.146 -0.431 4.704 468 HA ALA 59 HA ALA 59 17.836 -2.762 5.357 469 HB1 ALA 59 3HB ALA 59 19.266 -2.069 3.521 470 HB2 ALA 59 1HB ALA 59 18.288 -0.622 3.274 471 HB3 ALA 59 2HB ALA 59 17.597 -2.216 2.972 472 H GLY 60 H GLY 60 17.223 -0.349 7.134 473 HA2 GLY 60 2HA GLY 60 19.439 -0.186 8.654 474 HA3 GLY 60 1HA GLY 60 19.810 0.963 7.379 475 H LYS 61 H LYS 61 19.814 2.039 9.768 476 HA LYS 61 HA LYS 61 17.245 2.913 10.690 477 HB2 LYS 61 2HB LYS 61 19.189 2.663 12.198 478 HB3 LYS 61 1HB LYS 61 19.994 3.986 11.365 479 HG2 LYS 61 2HG LYS 61 18.217 5.517 12.076 480 HG3 LYS 61 1HG LYS 61 17.406 4.189 12.910 481 HD2 LYS 61 2HD LYS 61 19.424 3.910 14.332 482 HD3 LYS 61 1HD LYS 61 20.141 5.314 13.538 483 HE2 LYS 61 2HE LYS 61 19.147 5.957 15.665 484 HE3 LYS 61 1HE LYS 61 18.274 6.705 14.328 485 HZ1 LYS 61 3HZ LYS 61 16.552 5.049 14.536 486 HZ2 LYS 61 1HZ LYS 61 16.797 5.788 16.035 487 HZ3 LYS 61 2HZ LYS 61 17.412 4.241 15.746 488 H GLY 62 H GLY 62 16.032 4.491 9.859 489 HA2 GLY 62 2HA GLY 62 15.428 6.496 8.884 490 HA3 GLY 62 1HA GLY 62 17.103 7.007 9.016 491 H VAL 63 H VAL 63 15.562 4.348 7.193 492 HA VAL 63 HA VAL 63 16.657 5.518 4.703 493 HB VAL 63 HB VAL 63 16.756 3.252 3.768 494 HG11 VAL 63 1HG1 VAL 63 18.180 3.488 6.424 495 HG12 VAL 63 2HG1 VAL 63 18.738 4.128 4.878 496 HG13 VAL 63 3HG1 VAL 63 18.616 2.385 5.118 497 HG21 VAL 63 3HG2 VAL 63 14.925 2.223 5.014 498 HG22 VAL 63 1HG2 VAL 63 15.862 2.327 6.505 499 HG23 VAL 63 2HG2 VAL 63 16.404 1.281 5.193 500 HA PRO 64 HA PRO 64 12.665 5.868 2.757 501 HB2 PRO 64 2HB PRO 64 13.694 4.002 0.650 502 HB3 PRO 64 1HB PRO 64 12.905 5.575 0.471 503 HG2 PRO 64 2HG PRO 64 15.530 5.365 0.158 504 HG3 PRO 64 1HG PRO 64 14.843 6.752 1.024 505 HD2 PRO 64 2HD PRO 64 16.229 4.336 2.111 506 HD3 PRO 64 1HD PRO 64 16.295 6.022 2.666 507 H GLY 65 H GLY 65 10.927 4.878 3.589 508 HA2 GLY 65 2HA GLY 65 10.862 2.070 4.180 509 HA3 GLY 65 1HA GLY 65 9.554 3.216 4.418 510 H LEU 66 H LEU 66 10.729 0.647 2.523 511 HA LEU 66 HA LEU 66 8.768 1.201 0.379 512 HB2 LEU 66 2HB LEU 66 11.109 -0.713 0.400 513 HB3 LEU 66 1HB LEU 66 10.031 -0.432 -0.955 514 HG LEU 66 HG LEU 66 11.886 1.632 0.257 515 HD11 LEU 66 1HD1 LEU 66 13.094 -0.131 -0.939 516 HD12 LEU 66 2HD1 LEU 66 13.176 1.409 -1.792 517 HD13 LEU 66 3HD1 LEU 66 12.086 0.144 -2.361 518 HD21 LEU 66 3HD2 LEU 66 10.087 1.773 -2.163 519 HD22 LEU 66 1HD2 LEU 66 11.273 2.995 -1.697 520 HD23 LEU 66 2HD2 LEU 66 9.890 2.667 -0.653 521 H TRP 67 H TRP 67 7.596 -0.726 -0.511 522 HA TRP 67 HA TRP 67 6.918 -2.634 1.648 523 HB2 TRP 67 2HB TRP 67 4.996 -1.332 -0.300 524 HB3 TRP 67 1HB TRP 67 4.569 -2.526 0.924 525 HD1 TRP 67 HD1 TRP 67 5.284 1.174 0.482 526 HE1 TRP 67 HE1 TRP 67 4.780 2.400 2.682 527 HE3 TRP 67 HE3 TRP 67 4.607 -2.881 3.525 528 HZ2 TRP 67 HZ2 TRP 67 4.184 1.737 5.364 529 HZ3 TRP 67 HZ3 TRP 67 4.071 -2.498 5.898 530 HH2 TRP 67 HH2 TRP 67 3.865 -0.234 6.796 531 H ARG 68 H ARG 68 6.907 -4.736 1.137 532 HA ARG 68 HA ARG 68 6.528 -5.523 -1.688 533 HB2 ARG 68 2HB ARG 68 8.478 -6.669 0.318 534 HB3 ARG 68 1HB ARG 68 7.975 -7.561 -1.110 535 HG2 ARG 68 2HG ARG 68 8.809 -5.642 -2.496 536 HG3 ARG 68 1HG ARG 68 9.478 -4.952 -1.015 537 HD2 ARG 68 2HD ARG 68 10.156 -7.699 -2.071 538 HD3 ARG 68 1HD ARG 68 11.117 -6.254 -2.377 539 HE ARG 68 HE ARG 68 10.758 -6.588 0.400 540 HH11 ARG 68 1HH1 ARG 68 12.407 -8.081 -2.233 541 HH12 ARG 68 2HH1 ARG 68 13.754 -8.557 -1.257 542 HH21 ARG 68 1HH2 ARG 68 12.498 -7.218 1.641 543 HH22 ARG 68 2HH2 ARG 68 13.807 -8.079 0.904 544 H LEU 69 H LEU 69 4.725 -6.705 -1.952 545 HA LEU 69 HA LEU 69 3.243 -7.693 0.270 546 HB2 LEU 69 2HB LEU 69 1.770 -8.725 -1.511 547 HB3 LEU 69 1HB LEU 69 1.948 -6.985 -1.545 548 HG LEU 69 HG LEU 69 3.722 -7.371 -3.371 549 HD11 LEU 69 1HD1 LEU 69 3.424 -9.412 -4.709 550 HD12 LEU 69 2HD1 LEU 69 2.361 -10.064 -3.460 551 HD13 LEU 69 3HD1 LEU 69 4.059 -9.753 -3.098 552 HD21 LEU 69 3HD2 LEU 69 1.995 -7.494 -5.117 553 HD22 LEU 69 1HD2 LEU 69 1.557 -6.385 -3.817 554 HD23 LEU 69 2HD2 LEU 69 0.815 -7.984 -3.901 555 H LEU 70 H LEU 70 2.741 -9.839 0.846 556 HA LEU 70 HA LEU 70 5.003 -11.618 0.597 557 HB2 LEU 70 2HB LEU 70 2.394 -12.017 2.076 558 HB3 LEU 70 1HB LEU 70 3.840 -12.998 2.251 559 HG LEU 70 HG LEU 70 3.553 -10.087 3.032 560 HD11 LEU 70 1HD1 LEU 70 3.857 -12.573 4.716 561 HD12 LEU 70 2HD1 LEU 70 2.398 -11.593 4.550 562 HD13 LEU 70 3HD1 LEU 70 3.834 -10.913 5.317 563 HD21 LEU 70 3HD2 LEU 70 5.810 -10.529 2.229 564 HD22 LEU 70 1HD2 LEU 70 5.933 -11.932 3.291 565 HD23 LEU 70 2HD2 LEU 70 5.809 -10.312 3.979 566 H GLU 71 H GLU 71 4.909 -12.181 -1.610 567 HA GLU 71 HA GLU 71 4.494 -13.555 -3.358 568 HB2 GLU 71 2HB GLU 71 3.135 -15.241 -1.245 569 HB3 GLU 71 1HB GLU 71 3.553 -15.797 -2.861 570 HG2 GLU 71 2HG GLU 71 5.927 -15.385 -2.383 571 HG3 GLU 71 1HG GLU 71 5.499 -14.853 -0.757 Start of MODEL 6 1 H1 MET 1 1H MET 1 -22.661 -3.699 -3.416 2 H2 MET 1 2H MET 1 -23.395 -2.508 -2.468 3 H3 MET 1 3H MET 1 -22.543 -3.771 -1.728 4 HA MET 1 HA MET 1 -21.373 -1.690 -3.486 5 HB2 MET 1 2HB MET 1 -21.308 -2.034 -0.482 6 HB3 MET 1 1HB MET 1 -20.196 -0.986 -1.348 7 HG2 MET 1 2HG MET 1 -22.073 0.348 -2.162 8 HG3 MET 1 1HG MET 1 -23.197 -0.712 -1.309 9 HE1 MET 1 3HE MET 1 -23.258 2.668 0.741 10 HE2 MET 1 1HE MET 1 -24.226 1.519 -0.182 11 HE3 MET 1 2HE MET 1 -23.021 2.514 -1.001 12 H SER 2 H SER 2 -20.170 -3.700 -0.791 13 HA SER 2 HA SER 2 -18.339 -5.024 -0.562 14 HB2 SER 2 2HB SER 2 -19.493 -6.398 -2.292 15 HB3 SER 2 1HB SER 2 -18.611 -5.520 -3.542 16 HG SER 2 HG SER 2 -16.662 -6.307 -2.585 17 H GLU 3 H GLU 3 -18.145 -2.140 -1.623 18 HA GLU 3 HA GLU 3 -15.639 -2.095 -3.055 19 HB2 GLU 3 2HB GLU 3 -17.287 0.162 -1.880 20 HB3 GLU 3 1HB GLU 3 -15.892 0.367 -2.935 21 HG2 GLU 3 2HG GLU 3 -17.040 -0.674 -4.765 22 HG3 GLU 3 1HG GLU 3 -18.386 -1.131 -3.726 23 H SER 4 H SER 4 -14.069 -2.938 -1.760 24 HA SER 4 HA SER 4 -13.671 -1.810 0.929 25 HB2 SER 4 2HB SER 4 -12.159 -3.766 1.274 26 HB3 SER 4 1HB SER 4 -13.813 -4.229 0.881 27 HG SER 4 HG SER 4 -12.471 -4.010 -1.406 28 H ILE 5 H ILE 5 -12.259 -0.211 1.124 29 HA ILE 5 HA ILE 5 -10.463 0.648 -0.845 30 HB ILE 5 HB ILE 5 -11.246 2.158 0.879 31 HG12 ILE 5 2HG1 ILE 5 -9.104 3.226 1.536 32 HG13 ILE 5 1HG1 ILE 5 -8.239 1.774 1.047 33 HG21 ILE 5 1HG2 ILE 5 -11.398 0.601 2.744 34 HG22 ILE 5 2HG2 ILE 5 -10.475 2.033 3.198 35 HG23 ILE 5 3HG2 ILE 5 -9.637 0.522 2.843 36 HD11 ILE 5 3HD1 ILE 5 -8.967 2.117 -1.255 37 HD12 ILE 5 1HD1 ILE 5 -8.099 3.522 -0.635 38 HD13 ILE 5 2HD1 ILE 5 -9.856 3.560 -0.761 39 H VAL 6 H VAL 6 -9.912 -1.470 1.957 40 HA VAL 6 HA VAL 6 -7.096 -1.513 1.854 41 HB VAL 6 HB VAL 6 -9.001 -3.627 2.890 42 HG11 VAL 6 1HG1 VAL 6 -7.085 -4.444 4.211 43 HG12 VAL 6 2HG1 VAL 6 -6.033 -3.305 3.368 44 HG13 VAL 6 3HG1 VAL 6 -6.814 -4.611 2.476 45 HG21 VAL 6 3HG2 VAL 6 -9.272 -1.481 4.007 46 HG22 VAL 6 1HG2 VAL 6 -7.536 -1.391 4.302 47 HG23 VAL 6 2HG2 VAL 6 -8.503 -2.636 5.094 48 H THR 7 H THR 7 -9.441 -3.878 0.512 49 HA THR 7 HA THR 7 -7.617 -5.573 -0.751 50 HB THR 7 HB THR 7 -10.378 -4.864 -1.788 51 HG1 THR 7 HG1 THR 7 -11.162 -6.086 -0.239 52 HG21 THR 7 3HG2 THR 7 -8.698 -7.351 -2.175 53 HG22 THR 7 1HG2 THR 7 -9.037 -6.133 -3.404 54 HG23 THR 7 2HG2 THR 7 -10.346 -7.119 -2.753 55 H LYS 8 H LYS 8 -9.041 -2.540 -1.910 56 HA LYS 8 HA LYS 8 -7.971 -2.632 -4.527 57 HB2 LYS 8 2HB LYS 8 -9.795 -1.121 -3.918 58 HB3 LYS 8 1HB LYS 8 -8.733 -0.248 -2.822 59 HG2 LYS 8 2HG LYS 8 -7.450 0.631 -4.631 60 HG3 LYS 8 1HG LYS 8 -8.240 -0.441 -5.790 61 HD2 LYS 8 2HD LYS 8 -9.106 1.852 -5.944 62 HD3 LYS 8 1HD LYS 8 -10.360 0.714 -5.450 63 HE2 LYS 8 2HE LYS 8 -10.051 1.411 -3.109 64 HE3 LYS 8 1HE LYS 8 -8.816 2.563 -3.620 65 HZ1 LYS 8 3HZ LYS 8 -11.673 2.609 -4.435 66 HZ2 LYS 8 1HZ LYS 8 -10.490 3.713 -4.931 67 HZ3 LYS 8 2HZ LYS 8 -10.951 3.639 -3.307 68 H ILE 9 H ILE 9 -6.733 -1.204 -1.509 69 HA ILE 9 HA ILE 9 -4.352 -0.115 -2.516 70 HB ILE 9 HB ILE 9 -5.009 -1.204 0.226 71 HG12 ILE 9 2HG1 ILE 9 -4.775 1.628 -0.841 72 HG13 ILE 9 1HG1 ILE 9 -6.281 0.779 -0.504 73 HG21 ILE 9 1HG2 ILE 9 -3.001 0.032 1.027 74 HG22 ILE 9 2HG2 ILE 9 -2.529 0.277 -0.656 75 HG23 ILE 9 3HG2 ILE 9 -2.619 -1.355 0.007 76 HD11 ILE 9 3HD1 ILE 9 -4.195 1.579 1.514 77 HD12 ILE 9 1HD1 ILE 9 -5.670 0.679 1.869 78 HD13 ILE 9 2HD1 ILE 9 -5.771 2.331 1.265 79 H ILE 10 H ILE 10 -4.968 -3.377 -1.191 80 HA ILE 10 HA ILE 10 -2.403 -4.450 -1.467 81 HB ILE 10 HB ILE 10 -5.046 -5.879 -1.884 82 HG12 ILE 10 2HG1 ILE 10 -3.371 -5.577 0.631 83 HG13 ILE 10 1HG1 ILE 10 -4.876 -4.725 0.307 84 HG21 ILE 10 1HG2 ILE 10 -2.317 -7.000 -1.209 85 HG22 ILE 10 2HG2 ILE 10 -3.161 -7.171 -2.750 86 HG23 ILE 10 3HG2 ILE 10 -3.818 -7.923 -1.296 87 HD11 ILE 10 3HD1 ILE 10 -4.577 -7.713 0.578 88 HD12 ILE 10 1HD1 ILE 10 -6.084 -6.838 0.298 89 HD13 ILE 10 2HD1 ILE 10 -5.204 -6.616 1.809 90 H SER 11 H SER 11 -5.062 -4.328 -3.824 91 HA SER 11 HA SER 11 -3.673 -5.617 -5.934 92 HB2 SER 11 2HB SER 11 -6.043 -3.733 -6.041 93 HB3 SER 11 1HB SER 11 -5.473 -4.719 -7.390 94 HG SER 11 HG SER 11 -6.919 -5.442 -5.152 95 H ILE 12 H ILE 12 -3.794 -2.246 -4.910 96 HA ILE 12 HA ILE 12 -2.542 -1.092 -7.167 97 HB ILE 12 HB ILE 12 -2.497 -0.256 -4.259 98 HG12 ILE 12 2HG1 ILE 12 -4.017 0.888 -6.624 99 HG13 ILE 12 1HG1 ILE 12 -4.702 -0.226 -5.446 100 HG21 ILE 12 1HG2 ILE 12 -0.518 0.645 -5.369 101 HG22 ILE 12 2HG2 ILE 12 -1.673 1.929 -5.025 102 HG23 ILE 12 3HG2 ILE 12 -1.523 1.298 -6.666 103 HD11 ILE 12 3HD1 ILE 12 -5.347 2.065 -4.977 104 HD12 ILE 12 1HD1 ILE 12 -3.651 2.534 -4.858 105 HD13 ILE 12 2HD1 ILE 12 -4.343 1.419 -3.680 106 H VAL 13 H VAL 13 -1.181 -2.462 -4.174 107 HA VAL 13 HA VAL 13 1.539 -2.054 -4.691 108 HB VAL 13 HB VAL 13 0.277 -4.420 -3.268 109 HG11 VAL 13 1HG1 VAL 13 2.435 -4.613 -2.099 110 HG12 VAL 13 2HG1 VAL 13 3.090 -3.321 -3.105 111 HG13 VAL 13 3HG1 VAL 13 2.612 -4.853 -3.838 112 HG21 VAL 13 3HG2 VAL 13 -0.434 -2.270 -2.326 113 HG22 VAL 13 1HG2 VAL 13 1.252 -1.781 -2.155 114 HG23 VAL 13 2HG2 VAL 13 0.626 -3.136 -1.213 115 H GLN 14 H GLN 14 -0.529 -4.831 -5.549 116 HA GLN 14 HA GLN 14 1.390 -6.324 -6.967 117 HB2 GLN 14 2HB GLN 14 -0.759 -7.265 -6.261 118 HB3 GLN 14 1HB GLN 14 -1.616 -6.185 -7.354 119 HG2 GLN 14 2HG GLN 14 -0.564 -7.288 -9.269 120 HG3 GLN 14 1HG GLN 14 0.308 -8.360 -8.174 121 HE21 GLN 14 1HE2 GLN 14 -0.615 -10.191 -9.038 122 HE22 GLN 14 2HE2 GLN 14 -2.270 -10.615 -8.792 123 H GLU 15 H GLU 15 -0.940 -3.893 -8.094 124 HA GLU 15 HA GLU 15 -0.456 -4.031 -10.831 125 HB2 GLU 15 2HB GLU 15 -2.285 -2.747 -9.640 126 HB3 GLU 15 1HB GLU 15 -1.093 -1.500 -9.301 127 HG2 GLU 15 2HG GLU 15 -2.385 -0.852 -11.215 128 HG3 GLU 15 1HG GLU 15 -0.741 -1.221 -11.733 129 H ARG 16 H ARG 16 1.139 -1.977 -8.393 130 HA ARG 16 HA ARG 16 2.873 -0.627 -10.147 131 HB2 ARG 16 2HB ARG 16 3.129 -1.248 -7.200 132 HB3 ARG 16 1HB ARG 16 4.254 -0.212 -8.070 133 HG2 ARG 16 2HG ARG 16 1.285 0.309 -7.938 134 HG3 ARG 16 1HG ARG 16 2.445 0.983 -6.790 135 HD2 ARG 16 2HD ARG 16 3.542 2.228 -8.500 136 HD3 ARG 16 1HD ARG 16 2.679 1.372 -9.776 137 HE ARG 16 HE ARG 16 0.625 2.488 -8.800 138 HH11 ARG 16 1HH1 ARG 16 3.749 3.942 -8.572 139 HH12 ARG 16 2HH1 ARG 16 3.127 5.547 -8.621 140 HH21 ARG 16 1HH2 ARG 16 -0.153 4.560 -8.855 141 HH22 ARG 16 2HH2 ARG 16 0.938 5.898 -8.748 142 H GLN 17 H GLN 17 3.263 -3.741 -8.463 143 HA GLN 17 HA GLN 17 5.951 -4.121 -9.407 144 HB2 GLN 17 2HB GLN 17 3.961 -6.021 -8.165 145 HB3 GLN 17 1HB GLN 17 5.577 -6.515 -8.657 146 HG2 GLN 17 2HG GLN 17 6.494 -4.737 -7.152 147 HG3 GLN 17 1HG GLN 17 4.852 -4.472 -6.567 148 HE21 GLN 17 1HE2 GLN 17 5.470 -5.064 -4.470 149 HE22 GLN 17 2HE2 GLN 17 5.762 -6.712 -4.045 150 H ASN 18 H ASN 18 2.794 -4.764 -10.747 151 HA ASN 18 HA ASN 18 3.670 -6.421 -12.904 152 HB2 ASN 18 2HB ASN 18 1.303 -4.532 -12.714 153 HB3 ASN 18 1HB ASN 18 1.555 -5.689 -14.016 154 HD21 ASN 18 1HD2 ASN 18 -0.612 -5.457 -12.063 155 HD22 ASN 18 2HD2 ASN 18 -0.688 -6.990 -11.272 156 H MET 19 H MET 19 3.444 -2.957 -12.382 157 HA MET 19 HA MET 19 4.181 -2.093 -14.984 158 HB2 MET 19 2HB MET 19 4.520 -0.704 -12.305 159 HB3 MET 19 1HB MET 19 4.637 0.074 -13.878 160 HG2 MET 19 2HG MET 19 2.330 -0.236 -14.312 161 HG3 MET 19 1HG MET 19 2.153 -1.347 -12.956 162 HE1 MET 19 3HE MET 19 4.181 2.037 -12.948 163 HE2 MET 19 1HE MET 19 2.935 3.179 -12.442 164 HE3 MET 19 2HE MET 19 2.819 2.382 -14.013 165 H ASP 20 H ASP 20 6.087 -2.446 -11.989 166 HA ASP 20 HA ASP 20 8.527 -2.728 -13.633 167 HB2 ASP 20 2HB ASP 20 8.222 -1.437 -10.910 168 HB3 ASP 20 1HB ASP 20 9.774 -1.805 -11.655 169 H ASP 21 H ASP 21 9.336 -4.706 -13.541 170 HA ASP 21 HA ASP 21 8.259 -6.894 -12.402 171 HB2 ASP 21 2HB ASP 21 11.236 -6.528 -12.798 172 HB3 ASP 21 1HB ASP 21 10.358 -8.054 -12.794 173 H GLY 22 H GLY 22 10.993 -5.128 -10.913 174 HA2 GLY 22 2HA GLY 22 10.375 -6.518 -8.365 175 HA3 GLY 22 1HA GLY 22 12.017 -6.196 -8.896 176 H ALA 23 H ALA 23 9.046 -4.210 -8.673 177 HA ALA 23 HA ALA 23 10.649 -2.112 -7.372 178 HB1 ALA 23 3HB ALA 23 9.442 -1.453 -9.374 179 HB2 ALA 23 1HB ALA 23 8.827 -0.595 -7.963 180 HB3 ALA 23 2HB ALA 23 7.917 -1.947 -8.639 181 HA PRO 24 HA PRO 24 8.381 -3.135 -3.540 182 HB2 PRO 24 2HB PRO 24 10.029 -1.679 -1.937 183 HB3 PRO 24 1HB PRO 24 10.407 -3.328 -2.447 184 HG2 PRO 24 2HG PRO 24 11.393 -0.727 -3.567 185 HG3 PRO 24 1HG PRO 24 12.306 -2.208 -3.218 186 HD2 PRO 24 2HD PRO 24 11.489 -1.565 -5.721 187 HD3 PRO 24 1HD PRO 24 11.610 -3.247 -5.162 188 H VAL 25 H VAL 25 6.599 -1.950 -3.037 189 HA VAL 25 HA VAL 25 6.294 0.578 -4.392 190 HB VAL 25 HB VAL 25 4.260 -0.873 -2.684 191 HG11 VAL 25 1HG1 VAL 25 2.624 0.340 -4.073 192 HG12 VAL 25 2HG1 VAL 25 3.947 1.188 -4.874 193 HG13 VAL 25 3HG1 VAL 25 3.655 1.435 -3.152 194 HG21 VAL 25 3HG2 VAL 25 5.122 -2.364 -4.428 195 HG22 VAL 25 1HG2 VAL 25 4.770 -1.141 -5.654 196 HG23 VAL 25 2HG2 VAL 25 3.453 -1.895 -4.755 197 H LYS 26 H LYS 26 5.913 2.580 -3.528 198 HA LYS 26 HA LYS 26 6.616 2.939 -0.700 199 HB2 LYS 26 2HB LYS 26 6.368 5.030 -2.883 200 HB3 LYS 26 1HB LYS 26 6.963 5.299 -1.254 201 HG2 LYS 26 2HG LYS 26 8.859 5.224 -2.651 202 HG3 LYS 26 1HG LYS 26 8.831 3.691 -1.780 203 HD2 LYS 26 2HD LYS 26 8.064 2.511 -3.692 204 HD3 LYS 26 1HD LYS 26 7.675 4.006 -4.549 205 HE2 LYS 26 2HE LYS 26 10.467 3.166 -3.753 206 HE3 LYS 26 1HE LYS 26 9.761 2.894 -5.346 207 HZ1 LYS 26 3HZ LYS 26 10.160 5.559 -4.088 208 HZ2 LYS 26 1HZ LYS 26 9.539 5.274 -5.634 209 HZ3 LYS 26 2HZ LYS 26 11.146 4.887 -5.283 210 H THR 27 H THR 27 5.357 4.196 0.708 211 HA THR 27 HA THR 27 2.598 4.010 0.642 212 HB THR 27 HB THR 27 4.186 6.199 2.014 213 HG1 THR 27 HG1 THR 27 4.995 4.477 2.986 214 HG21 THR 27 3HG2 THR 27 1.452 5.050 2.636 215 HG22 THR 27 1HG2 THR 27 1.785 6.667 2.009 216 HG23 THR 27 2HG2 THR 27 2.319 6.221 3.630 217 H ARG 28 H ARG 28 4.653 6.586 -0.638 218 HA ARG 28 HA ARG 28 2.624 8.475 -1.180 219 HB2 ARG 28 2HB ARG 28 5.280 8.127 -2.590 220 HB3 ARG 28 1HB ARG 28 4.264 9.562 -2.651 221 HG2 ARG 28 2HG ARG 28 4.545 9.782 -0.180 222 HG3 ARG 28 1HG ARG 28 5.700 8.450 -0.244 223 HD2 ARG 28 2HD ARG 28 5.953 11.087 -1.694 224 HD3 ARG 28 1HD ARG 28 6.822 10.629 -0.232 225 HE ARG 28 HE ARG 28 7.315 8.730 -2.255 226 HH11 ARG 28 1HH1 ARG 28 8.113 11.963 -1.353 227 HH12 ARG 28 2HH1 ARG 28 9.573 11.968 -2.278 228 HH21 ARG 28 1HH2 ARG 28 9.213 8.743 -3.398 229 HH22 ARG 28 2HH2 ARG 28 10.202 10.166 -3.402 230 H ASP 29 H ASP 29 4.066 5.956 -3.258 231 HA ASP 29 HA ASP 29 2.654 6.561 -5.615 232 HB2 ASP 29 2HB ASP 29 3.799 3.936 -4.628 233 HB3 ASP 29 1HB ASP 29 3.161 4.175 -6.251 234 H ILE 30 H ILE 30 1.835 4.398 -2.921 235 HA ILE 30 HA ILE 30 -0.556 3.369 -4.044 236 HB ILE 30 HB ILE 30 0.143 3.660 -1.110 237 HG12 ILE 30 2HG1 ILE 30 0.572 1.345 -3.024 238 HG13 ILE 30 1HG1 ILE 30 1.836 2.398 -2.401 239 HG21 ILE 30 1HG2 ILE 30 -1.873 1.881 -2.498 240 HG22 ILE 30 2HG2 ILE 30 -2.244 3.253 -1.453 241 HG23 ILE 30 3HG2 ILE 30 -1.467 1.818 -0.783 242 HD11 ILE 30 3HD1 ILE 30 0.127 0.528 -0.777 243 HD12 ILE 30 1HD1 ILE 30 1.387 1.587 -0.144 244 HD13 ILE 30 2HD1 ILE 30 1.810 0.277 -1.247 245 H ALA 31 H ALA 31 0.029 6.109 -1.833 246 HA ALA 31 HA ALA 31 -2.627 7.002 -1.602 247 HB1 ALA 31 3HB ALA 31 -1.652 9.168 -0.973 248 HB2 ALA 31 1HB ALA 31 -0.080 8.638 -1.574 249 HB3 ALA 31 2HB ALA 31 -0.811 7.835 -0.184 250 H ASP 32 H ASP 32 -0.169 7.622 -4.051 251 HA ASP 32 HA ASP 32 -1.506 9.531 -5.610 252 HB2 ASP 32 2HB ASP 32 0.802 9.202 -6.009 253 HB3 ASP 32 1HB ASP 32 0.607 7.465 -6.209 254 H ALA 33 H ALA 33 -1.462 5.972 -5.913 255 HA ALA 33 HA ALA 33 -3.224 5.870 -8.144 256 HB1 ALA 33 3HB ALA 33 -1.668 4.062 -7.599 257 HB2 ALA 33 1HB ALA 33 -3.328 3.476 -7.709 258 HB3 ALA 33 2HB ALA 33 -2.581 3.718 -6.130 259 H ALA 34 H ALA 34 -3.783 5.272 -4.667 260 HA ALA 34 HA ALA 34 -6.576 4.752 -4.977 261 HB1 ALA 34 3HB ALA 34 -6.640 4.682 -2.552 262 HB2 ALA 34 1HB ALA 34 -5.039 5.418 -2.468 263 HB3 ALA 34 2HB ALA 34 -5.233 3.804 -3.150 264 H GLY 35 H GLY 35 -4.764 7.674 -4.702 265 HA2 GLY 35 2HA GLY 35 -5.458 9.876 -4.753 266 HA3 GLY 35 1HA GLY 35 -7.113 9.305 -4.905 267 H LEU 36 H LEU 36 -4.792 8.661 -2.310 268 HA LEU 36 HA LEU 36 -6.602 10.023 -0.408 269 HB2 LEU 36 2HB LEU 36 -5.006 7.501 0.074 270 HB3 LEU 36 1HB LEU 36 -6.025 8.305 1.252 271 HG LEU 36 HG LEU 36 -6.980 6.968 -1.291 272 HD11 LEU 36 1HD1 LEU 36 -6.236 5.378 0.415 273 HD12 LEU 36 2HD1 LEU 36 -7.985 5.321 0.200 274 HD13 LEU 36 3HD1 LEU 36 -7.296 6.144 1.600 275 HD21 LEU 36 3HD2 LEU 36 -8.377 8.893 -0.713 276 HD22 LEU 36 1HD2 LEU 36 -8.571 8.270 0.927 277 HD23 LEU 36 2HD2 LEU 36 -9.237 7.378 -0.441 278 H SER 37 H SER 37 -5.378 10.350 1.799 279 HA SER 37 HA SER 37 -2.955 11.841 1.199 280 HB2 SER 37 2HB SER 37 -4.648 12.826 2.701 281 HB3 SER 37 1HB SER 37 -4.407 11.504 3.842 282 HG SER 37 HG SER 37 -3.003 13.780 3.577 283 H ILE 38 H ILE 38 -0.971 11.595 2.394 284 HA ILE 38 HA ILE 38 0.080 9.039 2.201 285 HB ILE 38 HB ILE 38 1.141 11.333 3.862 286 HG12 ILE 38 2HG1 ILE 38 0.856 11.909 1.491 287 HG13 ILE 38 1HG1 ILE 38 2.564 11.796 1.900 288 HG21 ILE 38 1HG2 ILE 38 2.184 9.255 4.564 289 HG22 ILE 38 2HG2 ILE 38 3.340 10.219 3.644 290 HG23 ILE 38 3HG2 ILE 38 2.543 8.838 2.888 291 HD11 ILE 38 3HD1 ILE 38 0.942 9.699 0.469 292 HD12 ILE 38 1HD1 ILE 38 2.653 9.573 0.886 293 HD13 ILE 38 2HD1 ILE 38 2.111 10.799 -0.261 294 H TYR 39 H TYR 39 -0.904 10.701 5.236 295 HA TYR 39 HA TYR 39 -0.010 8.598 6.917 296 HB2 TYR 39 2HB TYR 39 -0.385 10.951 7.688 297 HB3 TYR 39 1HB TYR 39 -2.120 10.659 7.596 298 HD1 TYR 39 HD1 TYR 39 0.982 9.345 9.187 299 HD2 TYR 39 HD2 TYR 39 -3.249 9.767 9.468 300 HE1 TYR 39 HE1 TYR 39 1.043 8.382 11.444 301 HE2 TYR 39 HE2 TYR 39 -3.194 8.808 11.732 302 HH TYR 39 HH TYR 39 -0.378 8.453 13.520 303 H GLN 40 H GLN 40 -3.260 9.416 5.712 304 HA GLN 40 HA GLN 40 -4.768 7.432 6.888 305 HB2 GLN 40 2HB GLN 40 -5.702 9.203 5.472 306 HB3 GLN 40 1HB GLN 40 -4.962 8.478 4.052 307 HG2 GLN 40 2HG GLN 40 -6.369 6.488 4.348 308 HG3 GLN 40 1HG GLN 40 -7.125 7.245 5.751 309 HE21 GLN 40 1HE2 GLN 40 -9.169 7.202 4.784 310 HE22 GLN 40 2HE2 GLN 40 -9.591 8.260 3.485 311 H VAL 41 H VAL 41 -3.142 7.178 3.715 312 HA VAL 41 HA VAL 41 -3.541 4.417 3.343 313 HB VAL 41 HB VAL 41 -1.280 6.146 2.301 314 HG11 VAL 41 1HG1 VAL 41 -1.042 4.462 0.538 315 HG12 VAL 41 2HG1 VAL 41 -2.287 3.475 1.305 316 HG13 VAL 41 3HG1 VAL 41 -0.755 3.760 2.130 317 HG21 VAL 41 3HG2 VAL 41 -3.446 7.033 1.660 318 HG22 VAL 41 1HG2 VAL 41 -3.954 5.445 1.080 319 HG23 VAL 41 2HG2 VAL 41 -2.657 6.310 0.258 320 H ARG 42 H ARG 42 -0.936 6.208 4.932 321 HA ARG 42 HA ARG 42 0.921 4.198 5.393 322 HB2 ARG 42 2HB ARG 42 0.998 6.736 5.957 323 HB3 ARG 42 1HB ARG 42 0.262 6.275 7.482 324 HG2 ARG 42 2HG ARG 42 2.538 6.383 7.954 325 HG3 ARG 42 1HG ARG 42 2.232 4.658 7.740 326 HD2 ARG 42 2HD ARG 42 3.087 4.783 5.448 327 HD3 ARG 42 1HD ARG 42 3.349 6.517 5.628 328 HE ARG 42 HE ARG 42 4.887 4.382 6.927 329 HH11 ARG 42 1HH1 ARG 42 4.471 7.748 6.247 330 HH12 ARG 42 2HH1 ARG 42 6.089 8.138 6.714 331 HH21 ARG 42 1HH2 ARG 42 6.937 4.915 7.524 332 HH22 ARG 42 2HH2 ARG 42 7.453 6.567 7.448 333 H LEU 43 H LEU 43 -1.966 5.055 7.271 334 HA LEU 43 HA LEU 43 -1.652 3.198 9.369 335 HB2 LEU 43 2HB LEU 43 -4.186 4.355 8.185 336 HB3 LEU 43 1HB LEU 43 -4.106 3.467 9.696 337 HG LEU 43 HG LEU 43 -2.763 6.117 9.132 338 HD11 LEU 43 1HD1 LEU 43 -5.184 6.314 9.349 339 HD12 LEU 43 2HD1 LEU 43 -4.364 7.024 10.740 340 HD13 LEU 43 3HD1 LEU 43 -5.130 5.441 10.880 341 HD21 LEU 43 3HD2 LEU 43 -1.421 4.795 10.663 342 HD22 LEU 43 1HD2 LEU 43 -2.841 4.460 11.656 343 HD23 LEU 43 2HD2 LEU 43 -2.217 6.105 11.535 344 H TYR 44 H TYR 44 -3.626 2.956 6.386 345 HA TYR 44 HA TYR 44 -4.528 0.335 6.753 346 HB2 TYR 44 2HB TYR 44 -3.902 1.767 4.158 347 HB3 TYR 44 1HB TYR 44 -4.794 0.255 4.268 348 HD1 TYR 44 HD2 TYR 44 -6.815 0.423 6.103 349 HD2 TYR 44 HD1 TYR 44 -5.196 3.661 3.862 350 HE1 TYR 44 HE2 TYR 44 -8.909 1.675 6.408 351 HE2 TYR 44 HE1 TYR 44 -7.287 4.918 4.158 352 HH TYR 44 HH TYR 44 -9.686 4.424 4.625 353 H LEU 45 H LEU 45 -1.475 1.488 5.422 354 HA LEU 45 HA LEU 45 -0.543 -1.040 4.506 355 HB2 LEU 45 2HB LEU 45 0.974 1.477 5.202 356 HB3 LEU 45 1HB LEU 45 1.667 0.084 4.388 357 HG LEU 45 HG LEU 45 -0.577 1.804 3.309 358 HD11 LEU 45 1HD1 LEU 45 2.313 1.616 2.478 359 HD12 LEU 45 2HD1 LEU 45 1.557 2.970 3.319 360 HD13 LEU 45 3HD1 LEU 45 1.061 2.566 1.676 361 HD21 LEU 45 3HD2 LEU 45 -0.758 -0.529 2.593 362 HD22 LEU 45 1HD2 LEU 45 0.913 -0.491 2.028 363 HD23 LEU 45 2HD2 LEU 45 -0.306 0.522 1.250 364 H GLU 46 H GLU 46 -0.023 0.764 7.544 365 HA GLU 46 HA GLU 46 1.652 -1.124 8.795 366 HB2 GLU 46 2HB GLU 46 -0.305 0.895 9.883 367 HB3 GLU 46 1HB GLU 46 0.563 -0.194 10.956 368 HG2 GLU 46 2HG GLU 46 1.842 1.751 9.040 369 HG3 GLU 46 1HG GLU 46 1.635 2.003 10.772 370 H GLN 47 H GLN 47 -1.877 -0.945 8.554 371 HA GLN 47 HA GLN 47 -2.495 -3.184 10.141 372 HB2 GLN 47 2HB GLN 47 -3.928 -2.085 7.707 373 HB3 GLN 47 1HB GLN 47 -4.604 -3.285 8.804 374 HG2 GLN 47 2HG GLN 47 -4.424 -1.657 10.652 375 HG3 GLN 47 1HG GLN 47 -3.820 -0.458 9.510 376 HE21 GLN 47 1HE2 GLN 47 -6.600 -2.311 10.515 377 HE22 GLN 47 2HE2 GLN 47 -7.775 -1.341 9.701 378 H LEU 48 H LEU 48 -2.108 -3.005 6.580 379 HA LEU 48 HA LEU 48 -2.196 -5.743 6.031 380 HB2 LEU 48 2HB LEU 48 -0.646 -3.561 4.628 381 HB3 LEU 48 1HB LEU 48 -0.890 -5.173 3.980 382 HG LEU 48 HG LEU 48 -3.085 -3.170 4.561 383 HD11 LEU 48 1HD1 LEU 48 -3.320 -3.023 2.141 384 HD12 LEU 48 2HD1 LEU 48 -1.958 -4.125 1.928 385 HD13 LEU 48 3HD1 LEU 48 -1.701 -2.534 2.645 386 HD21 LEU 48 3HD2 LEU 48 -4.544 -4.775 3.405 387 HD22 LEU 48 1HD2 LEU 48 -3.855 -5.459 4.878 388 HD23 LEU 48 2HD2 LEU 48 -3.203 -5.916 3.304 389 H HIS 49 H HIS 49 0.446 -3.774 7.198 390 HA HIS 49 HA HIS 49 2.562 -5.605 6.896 391 HB2 HIS 49 2HB HIS 49 3.121 -3.356 7.362 392 HB3 HIS 49 1HB HIS 49 2.059 -3.290 8.762 393 HD1 HIS 49 HD1 HIS 49 2.930 -4.347 10.962 394 HD2 HIS 49 HD2 HIS 49 5.686 -4.324 7.856 395 HE1 HIS 49 HE1 HIS 49 5.133 -4.871 12.025 396 HE2 HIS 49 HE2 HIS 49 6.808 -4.578 10.174 397 H ASP 50 H ASP 50 0.427 -5.015 9.716 398 HA ASP 50 HA ASP 50 1.682 -7.076 11.279 399 HB2 ASP 50 2HB ASP 50 -0.722 -5.315 11.709 400 HB3 ASP 50 1HB ASP 50 -0.302 -6.590 12.847 401 H VAL 51 H VAL 51 -1.385 -6.889 9.470 402 HA VAL 51 HA VAL 51 -2.421 -9.338 10.470 403 HB VAL 51 HB VAL 51 -4.072 -9.245 8.697 404 HG11 VAL 51 1HG1 VAL 51 -4.411 -7.802 10.629 405 HG12 VAL 51 2HG1 VAL 51 -5.044 -7.042 9.169 406 HG13 VAL 51 3HG1 VAL 51 -3.504 -6.507 9.844 407 HG21 VAL 51 3HG2 VAL 51 -2.422 -6.998 7.523 408 HG22 VAL 51 1HG2 VAL 51 -4.015 -7.510 6.959 409 HG23 VAL 51 2HG2 VAL 51 -2.640 -8.605 6.830 410 H GLY 52 H GLY 52 0.025 -8.726 8.160 411 HA2 GLY 52 2HA GLY 52 1.494 -10.422 7.417 412 HA3 GLY 52 1HA GLY 52 0.217 -11.603 7.640 413 H VAL 53 H VAL 53 0.295 -8.570 5.761 414 HA VAL 53 HA VAL 53 -0.180 -10.154 3.305 415 HB VAL 53 HB VAL 53 -1.153 -7.350 3.933 416 HG11 VAL 53 1HG1 VAL 53 -1.531 -9.002 1.429 417 HG12 VAL 53 2HG1 VAL 53 -0.531 -7.558 1.577 418 HG13 VAL 53 3HG1 VAL 53 -2.280 -7.437 1.755 419 HG21 VAL 53 3HG2 VAL 53 -3.397 -8.332 3.798 420 HG22 VAL 53 1HG2 VAL 53 -2.441 -9.102 5.064 421 HG23 VAL 53 2HG2 VAL 53 -2.689 -9.926 3.525 422 H LEU 54 H LEU 54 1.426 -7.290 4.661 423 HA LEU 54 HA LEU 54 3.133 -7.178 2.254 424 HB2 LEU 54 2HB LEU 54 2.426 -4.986 4.208 425 HB3 LEU 54 1HB LEU 54 3.601 -4.818 2.917 426 HG LEU 54 HG LEU 54 0.635 -5.312 2.575 427 HD11 LEU 54 1HD1 LEU 54 2.344 -2.883 2.021 428 HD12 LEU 54 2HD1 LEU 54 1.100 -3.041 3.260 429 HD13 LEU 54 3HD1 LEU 54 0.651 -3.062 1.555 430 HD21 LEU 54 3HD2 LEU 54 2.778 -4.938 0.474 431 HD22 LEU 54 1HD2 LEU 54 1.045 -5.067 0.178 432 HD23 LEU 54 2HD2 LEU 54 1.931 -6.445 0.830 433 H GLU 55 H GLU 55 5.262 -7.395 2.420 434 HA GLU 55 HA GLU 55 6.512 -7.861 5.012 435 HB2 GLU 55 2HB GLU 55 6.991 -9.429 3.189 436 HB3 GLU 55 1HB GLU 55 7.553 -8.111 2.172 437 HG2 GLU 55 2HG GLU 55 9.447 -9.305 3.019 438 HG3 GLU 55 1HG GLU 55 9.403 -7.713 3.768 439 H LYS 56 H LYS 56 8.249 -6.587 5.812 440 HA LYS 56 HA LYS 56 8.153 -3.832 4.810 441 HB2 LYS 56 2HB LYS 56 8.804 -3.064 6.937 442 HB3 LYS 56 1HB LYS 56 7.668 -4.360 7.246 443 HG2 LYS 56 2HG LYS 56 10.673 -4.608 7.450 444 HG3 LYS 56 1HG LYS 56 9.583 -4.329 8.803 445 HD2 LYS 56 2HD LYS 56 9.563 -6.756 7.002 446 HD3 LYS 56 1HD LYS 56 10.260 -6.686 8.620 447 HE2 LYS 56 2HE LYS 56 8.066 -6.237 9.573 448 HE3 LYS 56 1HE LYS 56 7.348 -6.217 7.963 449 HZ1 LYS 56 3HZ LYS 56 8.623 -8.553 9.279 450 HZ2 LYS 56 1HZ LYS 56 8.003 -8.547 7.707 451 HZ3 LYS 56 2HZ LYS 56 6.967 -8.330 9.024 452 H VAL 57 H VAL 57 9.589 -3.465 3.252 453 HA VAL 57 HA VAL 57 12.247 -4.615 3.316 454 HB VAL 57 HB VAL 57 11.153 -2.542 1.399 455 HG11 VAL 57 1HG1 VAL 57 12.892 -3.404 -0.133 456 HG12 VAL 57 2HG1 VAL 57 13.505 -4.422 1.172 457 HG13 VAL 57 3HG1 VAL 57 13.571 -2.665 1.320 458 HG21 VAL 57 3HG2 VAL 57 9.742 -4.530 1.397 459 HG22 VAL 57 1HG2 VAL 57 11.159 -5.550 1.139 460 HG23 VAL 57 2HG2 VAL 57 10.656 -4.405 -0.107 461 H ASN 58 H ASN 58 12.748 -3.662 5.398 462 HA ASN 58 HA ASN 58 14.639 -1.637 5.239 463 HB2 ASN 58 2HB ASN 58 12.652 -0.127 4.962 464 HB3 ASN 58 1HB ASN 58 12.101 -0.617 6.560 465 HD21 ASN 58 1HD2 ASN 58 12.254 1.451 7.403 466 HD22 ASN 58 2HD2 ASN 58 13.762 2.231 7.706 467 H ALA 59 H ALA 59 12.240 -1.925 7.872 468 HA ALA 59 HA ALA 59 13.650 -3.832 9.412 469 HB1 ALA 59 3HB ALA 59 14.612 -2.423 11.145 470 HB2 ALA 59 1HB ALA 59 14.096 -0.973 10.280 471 HB3 ALA 59 2HB ALA 59 15.317 -2.036 9.578 472 H GLY 60 H GLY 60 12.147 -4.722 10.676 473 HA2 GLY 60 2HA GLY 60 10.450 -4.985 12.190 474 HA3 GLY 60 1HA GLY 60 10.929 -3.420 12.802 475 H LYS 61 H LYS 61 9.572 -1.712 12.537 476 HA LYS 61 HA LYS 61 7.368 -1.696 10.694 477 HB2 LYS 61 2HB LYS 61 5.549 -1.886 12.260 478 HB3 LYS 61 1HB LYS 61 6.558 -3.313 12.410 479 HG2 LYS 61 2HG LYS 61 6.654 -0.952 14.286 480 HG3 LYS 61 1HG LYS 61 5.737 -2.429 14.574 481 HD2 LYS 61 2HD LYS 61 7.840 -3.723 14.501 482 HD3 LYS 61 1HD LYS 61 8.739 -2.221 14.265 483 HE2 LYS 61 2HE LYS 61 8.838 -2.867 16.600 484 HE3 LYS 61 1HE LYS 61 7.881 -1.396 16.431 485 HZ1 LYS 61 3HZ LYS 61 5.874 -2.712 16.606 486 HZ2 LYS 61 1HZ LYS 61 6.864 -2.979 17.948 487 HZ3 LYS 61 2HZ LYS 61 6.777 -4.136 16.719 488 H GLY 62 H GLY 62 5.933 0.224 11.023 489 HA2 GLY 62 2HA GLY 62 5.527 2.428 11.586 490 HA3 GLY 62 1HA GLY 62 6.727 2.291 12.859 491 H VAL 63 H VAL 63 9.061 1.892 11.675 492 HA VAL 63 HA VAL 63 9.868 4.352 10.675 493 HB VAL 63 HB VAL 63 11.987 3.248 10.052 494 HG11 VAL 63 1HG1 VAL 63 10.866 2.305 12.698 495 HG12 VAL 63 2HG1 VAL 63 11.595 3.880 12.383 496 HG13 VAL 63 3HG1 VAL 63 12.577 2.417 12.282 497 HG21 VAL 63 3HG2 VAL 63 12.268 0.830 10.384 498 HG22 VAL 63 1HG2 VAL 63 11.078 1.169 9.126 499 HG23 VAL 63 2HG2 VAL 63 10.547 0.672 10.734 500 HA PRO 64 HA PRO 64 8.854 4.595 6.366 501 HB2 PRO 64 2HB PRO 64 11.684 5.413 5.892 502 HB3 PRO 64 1HB PRO 64 10.183 6.238 5.454 503 HG2 PRO 64 2HG PRO 64 11.664 7.112 7.488 504 HG3 PRO 64 1HG PRO 64 9.892 7.124 7.582 505 HD2 PRO 64 2HD PRO 64 11.844 5.232 8.842 506 HD3 PRO 64 1HD PRO 64 10.334 5.901 9.498 507 H GLY 65 H GLY 65 8.572 2.478 5.695 508 HA2 GLY 65 2HA GLY 65 10.973 1.136 4.596 509 HA3 GLY 65 1HA GLY 65 9.715 0.252 5.445 510 H LEU 66 H LEU 66 10.722 -0.089 2.705 511 HA LEU 66 HA LEU 66 8.540 0.770 0.999 512 HB2 LEU 66 2HB LEU 66 10.805 -1.136 0.378 513 HB3 LEU 66 1HB LEU 66 9.739 -0.366 -0.782 514 HG LEU 66 HG LEU 66 11.741 1.073 0.975 515 HD11 LEU 66 1HD1 LEU 66 12.976 1.471 -1.090 516 HD12 LEU 66 2HD1 LEU 66 11.807 0.500 -1.989 517 HD13 LEU 66 3HD1 LEU 66 12.824 -0.254 -0.759 518 HD21 LEU 66 3HD2 LEU 66 9.963 2.129 -1.230 519 HD22 LEU 66 1HD2 LEU 66 11.189 3.047 -0.356 520 HD23 LEU 66 2HD2 LEU 66 9.769 2.442 0.494 521 H TRP 67 H TRP 67 6.943 -0.550 0.130 522 HA TRP 67 HA TRP 67 6.305 -2.822 1.851 523 HB2 TRP 67 2HB TRP 67 4.527 -1.363 -0.118 524 HB3 TRP 67 1HB TRP 67 4.012 -2.509 1.121 525 HD1 TRP 67 HD1 TRP 67 4.651 1.134 0.585 526 HE1 TRP 67 HE1 TRP 67 4.430 2.416 2.807 527 HE3 TRP 67 HE3 TRP 67 4.524 -2.839 3.811 528 HZ2 TRP 67 HZ2 TRP 67 4.236 1.826 5.554 529 HZ3 TRP 67 HZ3 TRP 67 4.322 -2.388 6.223 530 HH2 TRP 67 HH2 TRP 67 4.180 -0.104 7.075 531 H ARG 68 H ARG 68 6.737 -4.798 1.210 532 HA ARG 68 HA ARG 68 6.654 -5.471 -1.674 533 HB2 ARG 68 2HB ARG 68 8.872 -5.660 -0.441 534 HB3 ARG 68 1HB ARG 68 8.149 -6.945 0.512 535 HG2 ARG 68 2HG ARG 68 9.310 -8.100 -1.122 536 HG3 ARG 68 1HG ARG 68 7.670 -8.064 -1.775 537 HD2 ARG 68 2HD ARG 68 8.336 -6.035 -3.098 538 HD3 ARG 68 1HD ARG 68 9.987 -6.290 -2.543 539 HE ARG 68 HE ARG 68 8.722 -8.538 -3.887 540 HH11 ARG 68 1HH1 ARG 68 10.905 -5.873 -4.089 541 HH12 ARG 68 2HH1 ARG 68 11.619 -6.440 -5.556 542 HH21 ARG 68 1HH2 ARG 68 9.655 -9.263 -5.718 543 HH22 ARG 68 2HH2 ARG 68 10.934 -8.362 -6.458 544 H LEU 69 H LEU 69 4.730 -6.510 -2.107 545 HA LEU 69 HA LEU 69 3.148 -7.843 -0.221 546 HB2 LEU 69 2HB LEU 69 1.987 -8.864 -2.186 547 HB3 LEU 69 1HB LEU 69 2.118 -7.119 -2.226 548 HG LEU 69 HG LEU 69 4.119 -7.450 -3.796 549 HD11 LEU 69 1HD1 LEU 69 4.114 -9.542 -5.101 550 HD12 LEU 69 2HD1 LEU 69 2.956 -10.229 -3.962 551 HD13 LEU 69 3HD1 LEU 69 4.575 -9.790 -3.419 552 HD21 LEU 69 3HD2 LEU 69 2.662 -7.722 -5.756 553 HD22 LEU 69 1HD2 LEU 69 1.976 -6.617 -4.564 554 HD23 LEU 69 2HD2 LEU 69 1.359 -8.264 -4.697 555 H LEU 70 H LEU 70 2.660 -10.132 0.007 556 HA LEU 70 HA LEU 70 5.005 -11.712 0.284 557 HB2 LEU 70 2HB LEU 70 2.104 -12.553 0.417 558 HB3 LEU 70 1HB LEU 70 3.463 -13.527 0.941 559 HG LEU 70 HG LEU 70 2.561 -10.916 2.172 560 HD11 LEU 70 1HD1 LEU 70 2.031 -12.293 4.122 561 HD12 LEU 70 2HD1 LEU 70 2.496 -13.742 3.232 562 HD13 LEU 70 3HD1 LEU 70 1.103 -12.793 2.708 563 HD21 LEU 70 3HD2 LEU 70 4.992 -11.098 2.259 564 HD22 LEU 70 1HD2 LEU 70 4.865 -12.719 2.944 565 HD23 LEU 70 2HD2 LEU 70 4.296 -11.325 3.863 566 H GLU 71 H GLU 71 6.072 -12.231 -1.531 567 HA GLU 71 HA GLU 71 4.648 -13.379 -3.812 568 HB2 GLU 71 2HB GLU 71 6.943 -13.276 -4.909 569 HB3 GLU 71 1HB GLU 71 6.189 -11.740 -4.507 570 HG2 GLU 71 2HG GLU 71 7.605 -11.525 -2.542 571 HG3 GLU 71 1HG GLU 71 8.322 -13.105 -2.863 Start of MODEL 7 1 H1 MET 1 1H MET 1 -20.203 1.120 4.099 2 H2 MET 1 2H MET 1 -20.817 1.310 5.664 3 H3 MET 1 3H MET 1 -20.089 -0.149 5.217 4 HA MET 1 HA MET 1 -18.747 2.486 5.480 5 HB2 MET 1 2HB MET 1 -18.308 -0.047 7.080 6 HB3 MET 1 1HB MET 1 -17.561 1.520 7.359 7 HG2 MET 1 2HG MET 1 -19.299 1.115 8.983 8 HG3 MET 1 1HG MET 1 -19.756 2.454 7.929 9 HE1 MET 1 3HE MET 1 -23.133 0.554 8.861 10 HE2 MET 1 1HE MET 1 -22.303 2.108 8.933 11 HE3 MET 1 2HE MET 1 -21.705 0.743 9.876 12 H SER 2 H SER 2 -18.441 -0.934 4.580 13 HA SER 2 HA SER 2 -15.647 -0.731 3.938 14 HB2 SER 2 2HB SER 2 -17.646 -2.925 3.313 15 HB3 SER 2 1HB SER 2 -15.898 -3.046 3.095 16 HG SER 2 HG SER 2 -16.565 -3.944 5.093 17 H GLU 3 H GLU 3 -15.755 1.069 2.485 18 HA GLU 3 HA GLU 3 -17.002 0.717 -0.115 19 HB2 GLU 3 2HB GLU 3 -15.228 2.949 0.917 20 HB3 GLU 3 1HB GLU 3 -16.208 2.991 -0.545 21 HG2 GLU 3 2HG GLU 3 -18.239 2.890 0.743 22 HG3 GLU 3 1HG GLU 3 -17.327 2.665 2.235 23 H SER 4 H SER 4 -15.161 -1.282 0.291 24 HA SER 4 HA SER 4 -13.321 -2.347 -0.506 25 HB2 SER 4 2HB SER 4 -12.926 -2.117 -2.914 26 HB3 SER 4 1HB SER 4 -14.649 -2.169 -2.557 27 HG SER 4 HG SER 4 -13.641 0.379 -2.598 28 H ILE 5 H ILE 5 -12.656 0.065 1.016 29 HA ILE 5 HA ILE 5 -10.566 1.542 -0.138 30 HB ILE 5 HB ILE 5 -10.805 0.751 2.785 31 HG12 ILE 5 2HG1 ILE 5 -11.638 3.237 2.902 32 HG13 ILE 5 1HG1 ILE 5 -11.989 3.021 1.192 33 HG21 ILE 5 1HG2 ILE 5 -9.398 2.744 3.212 34 HG22 ILE 5 2HG2 ILE 5 -9.181 2.936 1.472 35 HG23 ILE 5 3HG2 ILE 5 -8.559 1.500 2.285 36 HD11 ILE 5 3HD1 ILE 5 -13.949 2.640 2.564 37 HD12 ILE 5 1HD1 ILE 5 -13.104 1.367 3.444 38 HD13 ILE 5 2HD1 ILE 5 -13.468 1.163 1.731 39 H VAL 6 H VAL 6 -10.429 -1.466 1.767 40 HA VAL 6 HA VAL 6 -7.631 -1.807 1.637 41 HB VAL 6 HB VAL 6 -9.730 -3.971 1.921 42 HG11 VAL 6 1HG1 VAL 6 -7.520 -4.867 1.406 43 HG12 VAL 6 2HG1 VAL 6 -7.969 -5.238 3.069 44 HG13 VAL 6 3HG1 VAL 6 -6.819 -3.943 2.739 45 HG21 VAL 6 3HG2 VAL 6 -10.074 -2.244 3.594 46 HG22 VAL 6 1HG2 VAL 6 -8.368 -2.308 4.047 47 HG23 VAL 6 2HG2 VAL 6 -9.416 -3.693 4.351 48 H THR 7 H THR 7 -10.240 -3.217 -0.366 49 HA THR 7 HA THR 7 -8.766 -4.714 -2.170 50 HB THR 7 HB THR 7 -11.197 -3.018 -2.821 51 HG1 THR 7 HG1 THR 7 -12.037 -5.408 -2.605 52 HG21 THR 7 3HG2 THR 7 -10.056 -5.424 -4.256 53 HG22 THR 7 1HG2 THR 7 -10.064 -3.762 -4.851 54 HG23 THR 7 2HG2 THR 7 -11.585 -4.631 -4.640 55 H LYS 8 H LYS 8 -9.544 -1.245 -2.363 56 HA LYS 8 HA LYS 8 -8.317 -0.622 -4.772 57 HB2 LYS 8 2HB LYS 8 -9.727 0.975 -3.626 58 HB3 LYS 8 1HB LYS 8 -8.621 1.042 -2.263 59 HG2 LYS 8 2HG LYS 8 -8.448 3.025 -3.681 60 HG3 LYS 8 1HG LYS 8 -6.936 2.118 -3.640 61 HD2 LYS 8 2HD LYS 8 -7.414 2.866 -5.907 62 HD3 LYS 8 1HD LYS 8 -7.497 1.106 -5.818 63 HE2 LYS 8 2HE LYS 8 -9.961 1.266 -5.647 64 HE3 LYS 8 1HE LYS 8 -9.839 3.017 -5.825 65 HZ1 LYS 8 3HZ LYS 8 -8.949 1.009 -7.821 66 HZ2 LYS 8 1HZ LYS 8 -8.842 2.687 -7.998 67 HZ3 LYS 8 2HZ LYS 8 -10.356 1.938 -7.922 68 H ILE 9 H ILE 9 -6.881 -0.377 -1.506 69 HA ILE 9 HA ILE 9 -4.319 0.395 -2.355 70 HB ILE 9 HB ILE 9 -5.129 -1.074 0.162 71 HG12 ILE 9 2HG1 ILE 9 -4.695 1.877 -0.409 72 HG13 ILE 9 1HG1 ILE 9 -6.248 1.096 -0.132 73 HG21 ILE 9 1HG2 ILE 9 -3.017 -0.261 1.115 74 HG22 ILE 9 2HG2 ILE 9 -2.567 0.408 -0.455 75 HG23 ILE 9 3HG2 ILE 9 -2.738 -1.336 -0.257 76 HD11 ILE 9 3HD1 ILE 9 -4.017 1.346 1.875 77 HD12 ILE 9 1HD1 ILE 9 -5.578 0.575 2.155 78 HD13 ILE 9 2HD1 ILE 9 -5.495 2.306 1.830 79 H ILE 10 H ILE 10 -5.572 -2.880 -1.629 80 HA ILE 10 HA ILE 10 -3.186 -4.295 -2.002 81 HB ILE 10 HB ILE 10 -6.021 -5.204 -2.518 82 HG12 ILE 10 2HG1 ILE 10 -4.194 -5.571 -0.128 83 HG13 ILE 10 1HG1 ILE 10 -5.596 -4.510 -0.201 84 HG21 ILE 10 1HG2 ILE 10 -5.169 -7.496 -2.369 85 HG22 ILE 10 2HG2 ILE 10 -3.523 -6.882 -2.246 86 HG23 ILE 10 3HG2 ILE 10 -4.447 -6.633 -3.727 87 HD11 ILE 10 3HD1 ILE 10 -5.645 -7.518 -0.388 88 HD12 ILE 10 1HD1 ILE 10 -7.051 -6.454 -0.469 89 HD13 ILE 10 2HD1 ILE 10 -6.098 -6.545 1.011 90 H SER 11 H SER 11 -5.775 -3.663 -4.401 91 HA SER 11 HA SER 11 -4.611 -4.937 -6.592 92 HB2 SER 11 2HB SER 11 -6.018 -3.458 -8.005 93 HB3 SER 11 1HB SER 11 -6.917 -4.132 -6.647 94 HG SER 11 HG SER 11 -6.731 -2.168 -5.581 95 H ILE 12 H ILE 12 -4.184 -1.568 -5.516 96 HA ILE 12 HA ILE 12 -2.490 -0.708 -7.593 97 HB ILE 12 HB ILE 12 -2.563 0.210 -4.710 98 HG12 ILE 12 2HG1 ILE 12 -3.890 1.441 -7.139 99 HG13 ILE 12 1HG1 ILE 12 -4.714 0.367 -6.011 100 HG21 ILE 12 1HG2 ILE 12 -0.486 0.916 -5.734 101 HG22 ILE 12 2HG2 ILE 12 -1.555 2.307 -5.569 102 HG23 ILE 12 3HG2 ILE 12 -1.352 1.538 -7.142 103 HD11 ILE 12 3HD1 ILE 12 -5.202 2.699 -5.545 104 HD12 ILE 12 1HD1 ILE 12 -3.484 3.029 -5.329 105 HD13 ILE 12 2HD1 ILE 12 -4.324 1.956 -4.208 106 H VAL 13 H VAL 13 -1.588 -1.829 -4.310 107 HA VAL 13 HA VAL 13 1.181 -1.794 -4.613 108 HB VAL 13 HB VAL 13 -0.461 -3.717 -2.940 109 HG11 VAL 13 1HG1 VAL 13 1.829 -4.517 -3.181 110 HG12 VAL 13 2HG1 VAL 13 1.556 -3.923 -1.542 111 HG13 VAL 13 3HG1 VAL 13 2.451 -2.938 -2.699 112 HG21 VAL 13 3HG2 VAL 13 -0.945 -1.355 -2.460 113 HG22 VAL 13 1HG2 VAL 13 0.772 -1.059 -2.193 114 HG23 VAL 13 2HG2 VAL 13 -0.118 -2.134 -1.113 115 H GLN 14 H GLN 14 -1.118 -4.380 -5.372 116 HA GLN 14 HA GLN 14 0.775 -6.346 -6.116 117 HB2 GLN 14 2HB GLN 14 -1.628 -6.778 -5.580 118 HB3 GLN 14 1HB GLN 14 -2.071 -6.031 -7.109 119 HG2 GLN 14 2HG GLN 14 -0.754 -7.773 -8.286 120 HG3 GLN 14 1HG GLN 14 -0.452 -8.546 -6.729 121 HE21 GLN 14 1HE2 GLN 14 -1.525 -10.434 -7.256 122 HE22 GLN 14 2HE2 GLN 14 -3.240 -10.512 -7.449 123 H GLU 15 H GLU 15 -1.202 -4.157 -8.137 124 HA GLU 15 HA GLU 15 -0.266 -4.823 -10.652 125 HB2 GLU 15 2HB GLU 15 -2.138 -3.287 -10.250 126 HB3 GLU 15 1HB GLU 15 -1.030 -2.080 -9.613 127 HG2 GLU 15 2HG GLU 15 0.068 -1.999 -11.850 128 HG3 GLU 15 1HG GLU 15 -1.187 -3.081 -12.451 129 H ARG 16 H ARG 16 1.035 -2.342 -8.462 130 HA ARG 16 HA ARG 16 3.141 -1.408 -10.005 131 HB2 ARG 16 2HB ARG 16 2.845 -1.684 -7.015 132 HB3 ARG 16 1HB ARG 16 4.227 -0.888 -7.755 133 HG2 ARG 16 2HG ARG 16 1.361 -0.052 -8.188 134 HG3 ARG 16 1HG ARG 16 2.438 0.661 -6.985 135 HD2 ARG 16 2HD ARG 16 2.800 0.678 -9.986 136 HD3 ARG 16 1HD ARG 16 2.423 2.059 -8.954 137 HE ARG 16 HE ARG 16 4.964 0.568 -8.739 138 HH11 ARG 16 1HH1 ARG 16 3.265 3.544 -9.055 139 HH12 ARG 16 2HH1 ARG 16 4.676 4.503 -8.776 140 HH21 ARG 16 1HH2 ARG 16 6.747 1.777 -8.394 141 HH22 ARG 16 2HH2 ARG 16 6.645 3.508 -8.416 142 H GLN 17 H GLN 17 3.239 -4.094 -7.629 143 HA GLN 17 HA GLN 17 5.987 -4.662 -8.047 144 HB2 GLN 17 2HB GLN 17 3.795 -6.400 -6.904 145 HB3 GLN 17 1HB GLN 17 5.510 -6.791 -6.843 146 HG2 GLN 17 2HG GLN 17 5.921 -4.744 -5.547 147 HG3 GLN 17 1HG GLN 17 4.196 -4.382 -5.590 148 HE21 GLN 17 1HE2 GLN 17 3.952 -4.461 -3.369 149 HE22 GLN 17 2HE2 GLN 17 4.017 -5.938 -2.483 150 H ASN 18 H ASN 18 3.204 -5.502 -9.922 151 HA ASN 18 HA ASN 18 4.542 -7.604 -11.385 152 HB2 ASN 18 2HB ASN 18 1.996 -6.062 -11.863 153 HB3 ASN 18 1HB ASN 18 2.652 -7.137 -13.092 154 HD21 ASN 18 1HD2 ASN 18 1.098 -6.927 -10.019 155 HD22 ASN 18 2HD2 ASN 18 0.760 -8.612 -9.848 156 H MET 19 H MET 19 4.266 -4.122 -11.627 157 HA MET 19 HA MET 19 5.704 -4.074 -14.175 158 HB2 MET 19 2HB MET 19 4.605 -1.855 -12.437 159 HB3 MET 19 1HB MET 19 5.468 -1.586 -13.949 160 HG2 MET 19 2HG MET 19 2.872 -3.079 -13.617 161 HG3 MET 19 1HG MET 19 3.080 -1.468 -14.308 162 HE1 MET 19 3HE MET 19 2.138 -3.518 -17.481 163 HE2 MET 19 1HE MET 19 1.808 -2.076 -16.522 164 HE3 MET 19 2HE MET 19 1.471 -3.674 -15.856 165 H ASP 20 H ASP 20 6.239 -2.114 -11.228 166 HA ASP 20 HA ASP 20 9.109 -2.320 -11.656 167 HB2 ASP 20 2HB ASP 20 9.122 -0.755 -9.569 168 HB3 ASP 20 1HB ASP 20 8.612 -0.128 -11.127 169 H ASP 21 H ASP 21 9.211 -4.567 -11.244 170 HA ASP 21 HA ASP 21 8.738 -5.579 -8.564 171 HB2 ASP 21 2HB ASP 21 8.250 -6.925 -10.591 172 HB3 ASP 21 1HB ASP 21 9.960 -6.904 -11.000 173 H GLY 22 H GLY 22 11.397 -4.438 -10.497 174 HA2 GLY 22 2HA GLY 22 13.485 -5.601 -8.889 175 HA3 GLY 22 1HA GLY 22 13.689 -4.404 -10.156 176 H ALA 23 H ALA 23 11.420 -3.068 -8.230 177 HA ALA 23 HA ALA 23 13.175 -2.113 -6.108 178 HB1 ALA 23 3HB ALA 23 13.689 -0.635 -8.006 179 HB2 ALA 23 1HB ALA 23 12.921 0.237 -6.678 180 HB3 ALA 23 2HB ALA 23 11.986 -0.190 -8.111 181 HA PRO 24 HA PRO 24 9.199 -2.642 -4.054 182 HB2 PRO 24 2HB PRO 24 9.954 -1.195 -1.772 183 HB3 PRO 24 1HB PRO 24 10.170 -2.930 -2.019 184 HG2 PRO 24 2HG PRO 24 12.128 -0.701 -2.407 185 HG3 PRO 24 1HG PRO 24 12.394 -2.331 -1.758 186 HD2 PRO 24 2HD PRO 24 13.142 -1.705 -4.246 187 HD3 PRO 24 1HD PRO 24 12.444 -3.300 -3.885 188 H VAL 25 H VAL 25 7.394 -1.370 -3.399 189 HA VAL 25 HA VAL 25 7.180 1.024 -5.000 190 HB VAL 25 HB VAL 25 5.054 -0.212 -3.238 191 HG11 VAL 25 1HG1 VAL 25 3.491 0.837 -4.818 192 HG12 VAL 25 2HG1 VAL 25 4.852 1.536 -5.696 193 HG13 VAL 25 3HG1 VAL 25 4.527 2.034 -4.036 194 HG21 VAL 25 3HG2 VAL 25 5.970 -1.922 -4.730 195 HG22 VAL 25 1HG2 VAL 25 5.708 -0.864 -6.116 196 HG23 VAL 25 2HG2 VAL 25 4.329 -1.481 -5.204 197 H LYS 26 H LYS 26 6.497 3.100 -4.277 198 HA LYS 26 HA LYS 26 7.314 3.739 -1.533 199 HB2 LYS 26 2HB LYS 26 6.714 5.601 -3.848 200 HB3 LYS 26 1HB LYS 26 7.352 6.084 -2.285 201 HG2 LYS 26 2HG LYS 26 9.192 6.086 -3.742 202 HG3 LYS 26 1HG LYS 26 9.353 4.604 -2.801 203 HD2 LYS 26 2HD LYS 26 8.431 3.301 -4.646 204 HD3 LYS 26 1HD LYS 26 8.169 4.773 -5.582 205 HE2 LYS 26 2HE LYS 26 10.585 5.174 -5.626 206 HE3 LYS 26 1HE LYS 26 10.851 3.721 -4.665 207 HZ1 LYS 26 3HZ LYS 26 9.968 2.389 -6.453 208 HZ2 LYS 26 1HZ LYS 26 11.223 3.359 -7.043 209 HZ3 LYS 26 2HZ LYS 26 9.615 3.767 -7.365 210 H THR 27 H THR 27 6.023 4.992 -0.125 211 HA THR 27 HA THR 27 3.301 4.445 0.024 212 HB THR 27 HB THR 27 4.588 6.920 1.213 213 HG1 THR 27 HG1 THR 27 5.639 5.653 2.545 214 HG21 THR 27 3HG2 THR 27 2.258 5.207 2.112 215 HG22 THR 27 1HG2 THR 27 2.156 6.838 1.444 216 HG23 THR 27 2HG2 THR 27 2.927 6.571 3.008 217 H ARG 28 H ARG 28 4.925 7.166 -1.520 218 HA ARG 28 HA ARG 28 2.781 8.931 -1.841 219 HB2 ARG 28 2HB ARG 28 4.935 8.545 -3.918 220 HB3 ARG 28 1HB ARG 28 4.066 10.018 -3.522 221 HG2 ARG 28 2HG ARG 28 5.218 10.146 -1.379 222 HG3 ARG 28 1HG ARG 28 6.056 8.632 -1.731 223 HD2 ARG 28 2HD ARG 28 6.372 11.308 -3.069 224 HD3 ARG 28 1HD ARG 28 7.603 10.316 -2.283 225 HE ARG 28 HE ARG 28 6.362 9.753 -4.897 226 HH11 ARG 28 1HH1 ARG 28 8.962 9.330 -2.667 227 HH12 ARG 28 2HH1 ARG 28 9.916 8.432 -3.795 228 HH21 ARG 28 1HH2 ARG 28 7.596 8.597 -6.315 229 HH22 ARG 28 2HH2 ARG 28 9.162 8.039 -5.832 230 H ASP 29 H ASP 29 4.045 6.621 -4.229 231 HA ASP 29 HA ASP 29 2.220 7.035 -6.261 232 HB2 ASP 29 2HB ASP 29 3.606 4.440 -5.530 233 HB3 ASP 29 1HB ASP 29 2.941 4.844 -7.110 234 H ILE 30 H ILE 30 1.998 4.690 -3.586 235 HA ILE 30 HA ILE 30 -0.423 3.478 -4.390 236 HB ILE 30 HB ILE 30 0.603 3.797 -1.555 237 HG12 ILE 30 2HG1 ILE 30 1.134 1.570 -3.552 238 HG13 ILE 30 1HG1 ILE 30 2.302 2.794 -3.069 239 HG21 ILE 30 1HG2 ILE 30 -1.722 3.068 -1.658 240 HG22 ILE 30 2HG2 ILE 30 -0.688 1.752 -1.106 241 HG23 ILE 30 3HG2 ILE 30 -1.284 1.765 -2.766 242 HD11 ILE 30 3HD1 ILE 30 1.081 0.702 -1.283 243 HD12 ILE 30 1HD1 ILE 30 2.223 1.945 -0.772 244 HD13 ILE 30 2HD1 ILE 30 2.721 0.710 -1.930 245 H ALA 31 H ALA 31 0.209 6.184 -2.157 246 HA ALA 31 HA ALA 31 -2.466 6.678 -1.419 247 HB1 ALA 31 3HB ALA 31 -1.670 8.851 -0.637 248 HB2 ALA 31 1HB ALA 31 -0.162 8.629 -1.527 249 HB3 ALA 31 2HB ALA 31 -0.555 7.567 -0.174 250 H ASP 32 H ASP 32 -0.484 8.047 -4.016 251 HA ASP 32 HA ASP 32 -2.328 9.939 -4.974 252 HB2 ASP 32 2HB ASP 32 0.072 9.928 -5.555 253 HB3 ASP 32 1HB ASP 32 -0.164 8.457 -6.493 254 H ALA 33 H ALA 33 -1.708 6.580 -6.013 255 HA ALA 33 HA ALA 33 -3.683 6.539 -8.054 256 HB1 ALA 33 3HB ALA 33 -2.465 4.221 -6.551 257 HB2 ALA 33 1HB ALA 33 -1.804 4.972 -8.004 258 HB3 ALA 33 2HB ALA 33 -3.347 4.121 -8.076 259 H ALA 34 H ALA 34 -3.821 5.912 -4.603 260 HA ALA 34 HA ALA 34 -6.528 4.844 -4.735 261 HB1 ALA 34 3HB ALA 34 -4.941 3.931 -3.110 262 HB2 ALA 34 1HB ALA 34 -6.348 4.628 -2.311 263 HB3 ALA 34 2HB ALA 34 -4.819 5.511 -2.334 264 H GLY 35 H GLY 35 -5.094 7.925 -4.541 265 HA2 GLY 35 2HA GLY 35 -5.998 10.033 -4.319 266 HA3 GLY 35 1HA GLY 35 -7.590 9.289 -4.287 267 H LEU 36 H LEU 36 -5.077 8.422 -2.009 268 HA LEU 36 HA LEU 36 -6.662 9.683 0.149 269 HB2 LEU 36 2HB LEU 36 -5.089 7.101 0.261 270 HB3 LEU 36 1HB LEU 36 -5.967 7.816 1.599 271 HG LEU 36 HG LEU 36 -7.198 6.736 -0.946 272 HD11 LEU 36 1HD1 LEU 36 -8.115 4.986 0.490 273 HD12 LEU 36 2HD1 LEU 36 -7.244 5.651 1.872 274 HD13 LEU 36 3HD1 LEU 36 -6.353 4.974 0.509 275 HD21 LEU 36 3HD2 LEU 36 -8.452 8.643 -0.043 276 HD22 LEU 36 1HD2 LEU 36 -8.545 7.839 1.525 277 HD23 LEU 36 2HD2 LEU 36 -9.349 7.135 0.119 278 H SER 37 H SER 37 -5.282 9.760 2.258 279 HA SER 37 HA SER 37 -2.991 11.428 1.705 280 HB2 SER 37 2HB SER 37 -4.387 12.164 3.492 281 HB3 SER 37 1HB SER 37 -4.354 10.581 4.266 282 HG SER 37 HG SER 37 -2.547 12.650 4.400 283 H ILE 38 H ILE 38 -0.866 11.113 2.335 284 HA ILE 38 HA ILE 38 0.349 8.628 2.218 285 HB ILE 38 HB ILE 38 1.297 11.082 3.726 286 HG12 ILE 38 2HG1 ILE 38 0.869 11.479 1.325 287 HG13 ILE 38 1HG1 ILE 38 2.581 11.603 1.713 288 HG21 ILE 38 1HG2 ILE 38 2.526 9.146 4.494 289 HG22 ILE 38 2HG2 ILE 38 3.568 10.141 3.473 290 HG23 ILE 38 3HG2 ILE 38 2.859 8.659 2.831 291 HD11 ILE 38 3HD1 ILE 38 2.279 10.451 -0.382 292 HD12 ILE 38 1HD1 ILE 38 1.214 9.270 0.382 293 HD13 ILE 38 2HD1 ILE 38 2.922 9.333 0.820 294 H TYR 39 H TYR 39 -0.862 10.363 5.049 295 HA TYR 39 HA TYR 39 0.157 8.630 7.038 296 HB2 TYR 39 2HB TYR 39 -0.561 10.881 7.588 297 HB3 TYR 39 1HB TYR 39 -2.207 10.525 7.075 298 HD1 TYR 39 HD2 TYR 39 0.371 9.467 9.563 299 HD2 TYR 39 HD1 TYR 39 -3.775 9.823 8.657 300 HE1 TYR 39 HE2 TYR 39 -0.187 8.782 11.857 301 HE2 TYR 39 HE1 TYR 39 -4.339 9.141 10.949 302 HH TYR 39 HH TYR 39 -2.105 9.056 13.450 303 H GLN 40 H GLN 40 -3.160 8.861 5.707 304 HA GLN 40 HA GLN 40 -4.272 6.734 7.141 305 HB2 GLN 40 2HB GLN 40 -5.604 8.413 5.930 306 HB3 GLN 40 1HB GLN 40 -5.044 7.757 4.398 307 HG2 GLN 40 2HG GLN 40 -7.234 6.922 4.767 308 HG3 GLN 40 1HG GLN 40 -6.115 5.584 5.021 309 HE21 GLN 40 1HE2 GLN 40 -8.393 7.721 6.481 310 HE22 GLN 40 2HE2 GLN 40 -8.473 6.926 8.014 311 H VAL 41 H VAL 41 -2.965 6.738 3.822 312 HA VAL 41 HA VAL 41 -3.391 4.056 3.201 313 HB VAL 41 HB VAL 41 -1.171 5.900 2.279 314 HG11 VAL 41 1HG1 VAL 41 -0.887 4.365 0.380 315 HG12 VAL 41 2HG1 VAL 41 -2.058 3.259 1.099 316 HG13 VAL 41 3HG1 VAL 41 -0.525 3.568 1.913 317 HG21 VAL 41 3HG2 VAL 41 -3.806 5.139 1.005 318 HG22 VAL 41 1HG2 VAL 41 -2.580 6.189 0.294 319 HG23 VAL 41 2HG2 VAL 41 -3.426 6.690 1.756 320 H ARG 42 H ARG 42 -0.500 5.554 4.677 321 HA ARG 42 HA ARG 42 1.063 3.254 4.885 322 HB2 ARG 42 2HB ARG 42 1.956 5.496 5.274 323 HB3 ARG 42 1HB ARG 42 0.992 5.643 6.740 324 HG2 ARG 42 2HG ARG 42 2.244 3.839 7.775 325 HG3 ARG 42 1HG ARG 42 3.171 3.601 6.294 326 HD2 ARG 42 2HD ARG 42 4.449 4.872 7.937 327 HD3 ARG 42 1HD ARG 42 4.105 5.844 6.509 328 HE ARG 42 HE ARG 42 2.761 7.219 7.788 329 HH11 ARG 42 1HH1 ARG 42 3.563 4.418 9.627 330 HH12 ARG 42 2HH1 ARG 42 3.205 5.176 11.137 331 HH21 ARG 42 1HH2 ARG 42 2.264 8.170 9.722 332 HH22 ARG 42 2HH2 ARG 42 2.459 7.278 11.190 333 H LEU 43 H LEU 43 -1.440 4.487 7.077 334 HA LEU 43 HA LEU 43 -1.063 2.717 9.213 335 HB2 LEU 43 2HB LEU 43 -3.648 3.904 8.185 336 HB3 LEU 43 1HB LEU 43 -3.466 3.103 9.733 337 HG LEU 43 HG LEU 43 -2.108 5.674 8.895 338 HD11 LEU 43 1HD1 LEU 43 -4.480 5.980 9.314 339 HD12 LEU 43 2HD1 LEU 43 -3.534 6.699 10.616 340 HD13 LEU 43 3HD1 LEU 43 -4.340 5.149 10.864 341 HD21 LEU 43 3HD2 LEU 43 -1.303 5.791 11.200 342 HD22 LEU 43 1HD2 LEU 43 -0.688 4.349 10.392 343 HD23 LEU 43 2HD2 LEU 43 -2.018 4.215 11.543 344 H TYR 44 H TYR 44 -3.110 2.353 6.312 345 HA TYR 44 HA TYR 44 -4.050 -0.247 6.964 346 HB2 TYR 44 2HB TYR 44 -3.831 1.204 4.323 347 HB3 TYR 44 1HB TYR 44 -4.533 -0.402 4.471 348 HD1 TYR 44 HD2 TYR 44 -6.498 -0.655 6.161 349 HD2 TYR 44 HD1 TYR 44 -5.200 3.085 4.589 350 HE1 TYR 44 HE2 TYR 44 -8.682 0.328 6.711 351 HE2 TYR 44 HE1 TYR 44 -7.383 4.073 5.135 352 HH TYR 44 HH TYR 44 -9.641 2.570 7.158 353 H LEU 45 H LEU 45 -1.273 0.853 5.043 354 HA LEU 45 HA LEU 45 -0.526 -1.648 3.985 355 HB2 LEU 45 2HB LEU 45 1.127 0.810 4.579 356 HB3 LEU 45 1HB LEU 45 1.717 -0.567 3.667 357 HG LEU 45 HG LEU 45 -0.649 1.127 2.836 358 HD11 LEU 45 1HD1 LEU 45 2.198 1.196 1.835 359 HD12 LEU 45 2HD1 LEU 45 1.408 2.443 2.799 360 HD13 LEU 45 3HD1 LEU 45 0.839 2.102 1.166 361 HD21 LEU 45 3HD2 LEU 45 -0.708 -1.160 1.978 362 HD22 LEU 45 1HD2 LEU 45 0.928 -0.974 1.347 363 HD23 LEU 45 2HD2 LEU 45 -0.388 -0.003 0.685 364 H GLU 46 H GLU 46 0.648 0.058 6.890 365 HA GLU 46 HA GLU 46 2.463 -1.970 7.676 366 HB2 GLU 46 2HB GLU 46 1.159 0.240 9.276 367 HB3 GLU 46 1HB GLU 46 2.443 -0.795 9.895 368 HG2 GLU 46 2HG GLU 46 3.813 -0.005 7.881 369 HG3 GLU 46 1HG GLU 46 2.580 1.240 7.684 370 H GLN 47 H GLN 47 -0.922 -1.336 8.625 371 HA GLN 47 HA GLN 47 -1.135 -3.410 10.520 372 HB2 GLN 47 2HB GLN 47 -3.205 -2.092 8.764 373 HB3 GLN 47 1HB GLN 47 -3.622 -3.326 9.947 374 HG2 GLN 47 2HG GLN 47 -2.711 -1.920 11.733 375 HG3 GLN 47 1HG GLN 47 -2.296 -0.681 10.548 376 HE21 GLN 47 1HE2 GLN 47 -3.949 0.504 9.585 377 HE22 GLN 47 2HE2 GLN 47 -5.542 0.570 10.253 378 H LEU 48 H LEU 48 -1.684 -3.437 6.995 379 HA LEU 48 HA LEU 48 -2.521 -6.109 6.771 380 HB2 LEU 48 2HB LEU 48 -1.036 -4.341 4.827 381 HB3 LEU 48 1HB LEU 48 -1.595 -5.952 4.414 382 HG LEU 48 HG LEU 48 -3.379 -3.658 5.259 383 HD11 LEU 48 1HD1 LEU 48 -4.136 -3.646 2.934 384 HD12 LEU 48 2HD1 LEU 48 -2.932 -4.873 2.532 385 HD13 LEU 48 3HD1 LEU 48 -2.418 -3.269 3.061 386 HD21 LEU 48 3HD2 LEU 48 -5.227 -5.116 4.612 387 HD22 LEU 48 1HD2 LEU 48 -4.277 -5.841 5.907 388 HD23 LEU 48 2HD2 LEU 48 -4.091 -6.417 4.250 389 H HIS 49 H HIS 49 0.739 -4.733 6.982 390 HA HIS 49 HA HIS 49 2.133 -7.174 6.611 391 HB2 HIS 49 2HB HIS 49 3.439 -5.195 6.488 392 HB3 HIS 49 1HB HIS 49 2.849 -4.615 8.042 393 HD1 HIS 49 HD1 HIS 49 4.711 -7.772 6.927 394 HD2 HIS 49 HD2 HIS 49 4.781 -4.860 9.897 395 HE1 HIS 49 HE1 HIS 49 6.632 -8.379 8.427 396 HE2 HIS 49 HE2 HIS 49 6.544 -6.703 10.300 397 H ASP 50 H ASP 50 0.999 -5.533 9.568 398 HA ASP 50 HA ASP 50 2.060 -7.356 11.416 399 HB2 ASP 50 2HB ASP 50 1.221 -5.055 11.926 400 HB3 ASP 50 1HB ASP 50 -0.427 -5.657 11.755 401 H VAL 51 H VAL 51 -0.954 -7.460 9.592 402 HA VAL 51 HA VAL 51 -1.923 -9.761 11.110 403 HB VAL 51 HB VAL 51 -3.940 -9.641 9.747 404 HG11 VAL 51 1HG1 VAL 51 -3.073 -6.942 10.789 405 HG12 VAL 51 2HG1 VAL 51 -3.811 -8.239 11.730 406 HG13 VAL 51 3HG1 VAL 51 -4.737 -7.431 10.465 407 HG21 VAL 51 3HG2 VAL 51 -2.943 -8.972 7.620 408 HG22 VAL 51 1HG2 VAL 51 -2.573 -7.379 8.281 409 HG23 VAL 51 2HG2 VAL 51 -4.253 -7.878 8.072 410 H GLY 52 H GLY 52 0.295 -9.496 8.712 411 HA2 GLY 52 2HA GLY 52 1.361 -11.290 7.663 412 HA3 GLY 52 1HA GLY 52 -0.016 -12.308 8.032 413 H VAL 53 H VAL 53 0.326 -9.293 6.134 414 HA VAL 53 HA VAL 53 -0.567 -10.778 3.741 415 HB VAL 53 HB VAL 53 -1.428 -7.961 4.464 416 HG11 VAL 53 1HG1 VAL 53 -2.175 -9.701 2.105 417 HG12 VAL 53 2HG1 VAL 53 -1.190 -8.239 2.061 418 HG13 VAL 53 3HG1 VAL 53 -2.897 -8.137 2.490 419 HG21 VAL 53 3HG2 VAL 53 -3.684 -8.895 4.708 420 HG22 VAL 53 1HG2 VAL 53 -2.560 -9.620 5.859 421 HG23 VAL 53 2HG2 VAL 53 -3.049 -10.516 4.421 422 H LEU 54 H LEU 54 0.771 -7.593 4.711 423 HA LEU 54 HA LEU 54 2.488 -7.634 2.313 424 HB2 LEU 54 2HB LEU 54 1.719 -5.314 4.096 425 HB3 LEU 54 1HB LEU 54 2.751 -5.205 2.684 426 HG LEU 54 HG LEU 54 -0.181 -5.950 2.676 427 HD11 LEU 54 1HD1 LEU 54 1.230 -3.469 1.697 428 HD12 LEU 54 2HD1 LEU 54 0.212 -3.588 3.132 429 HD13 LEU 54 3HD1 LEU 54 -0.493 -3.819 1.533 430 HD21 LEU 54 3HD2 LEU 54 1.002 -7.135 0.918 431 HD22 LEU 54 1HD2 LEU 54 1.762 -5.633 0.386 432 HD23 LEU 54 2HD2 LEU 54 0.017 -5.846 0.226 433 H GLU 55 H GLU 55 4.580 -6.178 2.768 434 HA GLU 55 HA GLU 55 5.822 -6.980 5.305 435 HB2 GLU 55 2HB GLU 55 6.379 -8.726 3.651 436 HB3 GLU 55 1HB GLU 55 7.046 -7.503 2.581 437 HG2 GLU 55 2HG GLU 55 8.793 -8.724 3.779 438 HG3 GLU 55 1HG GLU 55 8.801 -7.008 4.176 439 H LYS 56 H LYS 56 7.531 -5.677 6.003 440 HA LYS 56 HA LYS 56 7.372 -2.943 5.002 441 HB2 LYS 56 2HB LYS 56 8.468 -4.176 7.528 442 HB3 LYS 56 1HB LYS 56 8.739 -2.486 7.134 443 HG2 LYS 56 2HG LYS 56 6.020 -3.755 7.426 444 HG3 LYS 56 1HG LYS 56 6.857 -2.859 8.693 445 HD2 LYS 56 2HD LYS 56 6.057 -1.750 5.996 446 HD3 LYS 56 1HD LYS 56 5.191 -1.477 7.506 447 HE2 LYS 56 2HE LYS 56 8.056 -0.664 6.991 448 HE3 LYS 56 1HE LYS 56 6.667 0.410 6.853 449 HZ1 LYS 56 3HZ LYS 56 7.540 -0.970 9.333 450 HZ2 LYS 56 1HZ LYS 56 6.212 0.069 9.200 451 HZ3 LYS 56 2HZ LYS 56 7.778 0.663 8.977 452 H VAL 57 H VAL 57 8.871 -2.039 3.751 453 HA VAL 57 HA VAL 57 11.701 -2.758 4.219 454 HB VAL 57 HB VAL 57 10.561 -1.522 1.692 455 HG11 VAL 57 1HG1 VAL 57 12.880 -0.870 2.178 456 HG12 VAL 57 2HG1 VAL 57 12.783 -1.903 0.753 457 HG13 VAL 57 3HG1 VAL 57 13.335 -2.571 2.289 458 HG21 VAL 57 3HG2 VAL 57 11.035 -3.682 0.612 459 HG22 VAL 57 1HG2 VAL 57 9.828 -3.841 1.888 460 HG23 VAL 57 2HG2 VAL 57 11.489 -4.361 2.176 461 H ASN 58 H ASN 58 12.753 -1.213 5.300 462 HA ASN 58 HA ASN 58 13.315 0.767 6.261 463 HB2 ASN 58 2HB ASN 58 11.445 1.953 4.202 464 HB3 ASN 58 1HB ASN 58 12.249 2.928 5.428 465 HD21 ASN 58 1HD2 ASN 58 13.411 4.083 3.927 466 HD22 ASN 58 2HD2 ASN 58 14.727 3.406 3.046 467 H ALA 59 H ALA 59 12.699 1.561 8.181 468 HA ALA 59 HA ALA 59 10.394 0.449 9.386 469 HB1 ALA 59 3HB ALA 59 12.493 0.790 10.568 470 HB2 ALA 59 1HB ALA 59 11.156 1.582 11.404 471 HB3 ALA 59 2HB ALA 59 12.289 2.537 10.438 472 H GLY 60 H GLY 60 11.191 3.909 9.701 473 HA2 GLY 60 2HA GLY 60 8.889 5.014 8.570 474 HA3 GLY 60 1HA GLY 60 8.488 4.613 10.233 475 H LYS 61 H LYS 61 11.472 5.238 10.869 476 HA LYS 61 HA LYS 61 11.030 7.974 11.604 477 HB2 LYS 61 2HB LYS 61 12.310 6.512 13.071 478 HB3 LYS 61 1HB LYS 61 13.500 6.232 11.805 479 HG2 LYS 61 2HG LYS 61 14.094 8.631 11.876 480 HG3 LYS 61 1HG LYS 61 12.958 8.847 13.209 481 HD2 LYS 61 2HD LYS 61 14.246 7.283 14.578 482 HD3 LYS 61 1HD LYS 61 15.360 7.010 13.236 483 HE2 LYS 61 2HE LYS 61 16.033 9.360 13.306 484 HE3 LYS 61 1HE LYS 61 14.894 9.658 14.619 485 HZ1 LYS 61 3HZ LYS 61 17.148 9.358 15.428 486 HZ2 LYS 61 1HZ LYS 61 17.216 7.814 14.742 487 HZ3 LYS 61 2HZ LYS 61 16.136 8.129 16.001 488 H GLY 62 H GLY 62 10.942 9.386 9.904 489 HA2 GLY 62 2HA GLY 62 11.866 10.876 8.383 490 HA3 GLY 62 1HA GLY 62 13.411 10.069 8.578 491 H VAL 63 H VAL 63 12.673 7.473 7.789 492 HA VAL 63 HA VAL 63 12.941 7.594 5.006 493 HB VAL 63 HB VAL 63 12.520 5.132 5.047 494 HG11 VAL 63 1HG1 VAL 63 14.454 4.559 6.428 495 HG12 VAL 63 2HG1 VAL 63 14.367 6.135 7.216 496 HG13 VAL 63 3HG1 VAL 63 14.754 6.028 5.497 497 HG21 VAL 63 3HG2 VAL 63 12.161 4.001 7.178 498 HG22 VAL 63 1HG2 VAL 63 10.807 5.058 6.777 499 HG23 VAL 63 2HG2 VAL 63 11.990 5.562 7.985 500 HA PRO 64 HA PRO 64 8.817 8.381 3.602 501 HB2 PRO 64 2HB PRO 64 9.014 7.381 1.056 502 HB3 PRO 64 1HB PRO 64 9.705 8.928 1.558 503 HG2 PRO 64 2HG PRO 64 11.048 6.256 1.289 504 HG3 PRO 64 1HG PRO 64 11.616 7.852 0.760 505 HD2 PRO 64 2HD PRO 64 12.522 6.720 3.024 506 HD3 PRO 64 1HD PRO 64 12.263 8.472 2.904 507 H GLY 65 H GLY 65 10.128 5.121 3.238 508 HA2 GLY 65 2HA GLY 65 8.934 3.227 4.096 509 HA3 GLY 65 1HA GLY 65 7.427 4.048 3.737 510 H LEU 66 H LEU 66 9.525 1.657 2.752 511 HA LEU 66 HA LEU 66 8.423 1.615 0.014 512 HB2 LEU 66 2HB LEU 66 10.853 0.229 1.159 513 HB3 LEU 66 1HB LEU 66 10.252 -0.014 -0.468 514 HG LEU 66 HG LEU 66 11.273 2.615 0.630 515 HD11 LEU 66 1HD1 LEU 66 13.052 0.948 0.373 516 HD12 LEU 66 2HD1 LEU 66 13.205 2.255 -0.800 517 HD13 LEU 66 3HD1 LEU 66 12.567 0.689 -1.304 518 HD21 LEU 66 3HD2 LEU 66 9.584 2.954 -1.087 519 HD22 LEU 66 1HD2 LEU 66 10.420 1.832 -2.161 520 HD23 LEU 66 2HD2 LEU 66 11.181 3.359 -1.714 521 H TRP 67 H TRP 67 7.266 -0.178 -0.683 522 HA TRP 67 HA TRP 67 6.450 -2.008 1.493 523 HB2 TRP 67 2HB TRP 67 4.590 -0.855 -0.593 524 HB3 TRP 67 1HB TRP 67 4.157 -1.743 0.870 525 HD1 TRP 67 HD1 TRP 67 5.060 1.722 -0.366 526 HE1 TRP 67 HE1 TRP 67 4.828 3.400 1.562 527 HE3 TRP 67 HE3 TRP 67 4.378 -1.552 3.506 528 HZ2 TRP 67 HZ2 TRP 67 4.407 3.363 4.342 529 HZ3 TRP 67 HZ3 TRP 67 4.076 -0.642 5.772 530 HH2 TRP 67 HH2 TRP 67 4.091 1.766 6.178 531 H ARG 68 H ARG 68 6.036 -4.101 1.025 532 HA ARG 68 HA ARG 68 5.747 -4.974 -1.750 533 HB2 ARG 68 2HB ARG 68 7.392 -6.819 -1.427 534 HB3 ARG 68 1HB ARG 68 8.129 -5.222 -1.447 535 HG2 ARG 68 2HG ARG 68 8.625 -5.268 0.813 536 HG3 ARG 68 1HG ARG 68 7.385 -6.471 1.164 537 HD2 ARG 68 2HD ARG 68 9.921 -7.005 -0.391 538 HD3 ARG 68 1HD ARG 68 9.684 -7.376 1.319 539 HE ARG 68 HE ARG 68 7.669 -8.546 -0.334 540 HH11 ARG 68 1HH1 ARG 68 10.891 -8.959 0.808 541 HH12 ARG 68 2HH1 ARG 68 10.850 -10.678 0.608 542 HH21 ARG 68 1HH2 ARG 68 7.619 -10.738 -0.560 543 HH22 ARG 68 2HH2 ARG 68 9.009 -11.677 -0.135 544 H LEU 69 H LEU 69 5.290 -7.466 -1.751 545 HA LEU 69 HA LEU 69 3.807 -8.206 0.691 546 HB2 LEU 69 2HB LEU 69 2.170 -9.406 -0.791 547 HB3 LEU 69 1HB LEU 69 2.117 -7.658 -0.860 548 HG LEU 69 HG LEU 69 3.538 -7.854 -2.986 549 HD11 LEU 69 1HD1 LEU 69 3.311 -9.958 -4.230 550 HD12 LEU 69 2HD1 LEU 69 2.598 -10.714 -2.804 551 HD13 LEU 69 3HD1 LEU 69 4.267 -10.150 -2.764 552 HD21 LEU 69 3HD2 LEU 69 1.573 -8.227 -4.382 553 HD22 LEU 69 1HD2 LEU 69 1.182 -7.222 -2.988 554 HD23 LEU 69 2HD2 LEU 69 0.715 -8.923 -3.006 555 H LEU 70 H LEU 70 3.221 -10.687 0.544 556 HA LEU 70 HA LEU 70 5.365 -12.237 -0.693 557 HB2 LEU 70 2HB LEU 70 5.766 -13.536 1.370 558 HB3 LEU 70 1HB LEU 70 6.263 -11.863 1.506 559 HG LEU 70 HG LEU 70 3.657 -12.903 2.642 560 HD11 LEU 70 1HD1 LEU 70 6.316 -12.550 4.032 561 HD12 LEU 70 2HD1 LEU 70 5.502 -14.083 3.706 562 HD13 LEU 70 3HD1 LEU 70 4.782 -12.921 4.821 563 HD21 LEU 70 3HD2 LEU 70 5.225 -10.379 3.199 564 HD22 LEU 70 1HD2 LEU 70 3.729 -10.869 3.996 565 HD23 LEU 70 2HD2 LEU 70 3.726 -10.484 2.276 566 H GLU 71 H GLU 71 3.630 -12.806 -2.106 567 HA GLU 71 HA GLU 71 1.704 -14.742 -0.976 568 HB2 GLU 71 2HB GLU 71 0.590 -12.801 -1.964 569 HB3 GLU 71 1HB GLU 71 1.462 -13.037 -3.472 570 HG2 GLU 71 2HG GLU 71 0.334 -15.249 -3.706 571 HG3 GLU 71 1HG GLU 71 -0.618 -14.862 -2.274 Start of MODEL 8 1 H1 MET 1 1H MET 1 -18.446 -10.658 -0.561 2 H2 MET 1 2H MET 1 -17.370 -10.988 0.702 3 H3 MET 1 3H MET 1 -17.080 -11.615 -0.843 4 HA MET 1 HA MET 1 -15.629 -9.751 -0.410 5 HB2 MET 1 2HB MET 1 -17.796 -9.096 -2.425 6 HB3 MET 1 1HB MET 1 -16.178 -8.406 -2.399 7 HG2 MET 1 2HG MET 1 -16.315 -10.126 -4.076 8 HG3 MET 1 1HG MET 1 -15.236 -10.640 -2.779 9 HE1 MET 1 3HE MET 1 -19.215 -10.613 -2.939 10 HE2 MET 1 1HE MET 1 -19.500 -12.263 -3.490 11 HE3 MET 1 2HE MET 1 -18.675 -11.113 -4.541 12 H SER 2 H SER 2 -15.568 -8.437 1.324 13 HA SER 2 HA SER 2 -17.908 -6.762 1.939 14 HB2 SER 2 2HB SER 2 -15.493 -7.472 3.627 15 HB3 SER 2 1HB SER 2 -16.829 -6.455 4.160 16 HG SER 2 HG SER 2 -16.862 -8.813 4.695 17 H GLU 3 H GLU 3 -14.369 -6.336 2.228 18 HA GLU 3 HA GLU 3 -14.719 -3.449 1.991 19 HB2 GLU 3 2HB GLU 3 -13.213 -4.828 3.674 20 HB3 GLU 3 1HB GLU 3 -12.060 -4.805 2.352 21 HG2 GLU 3 2HG GLU 3 -13.253 -2.390 3.710 22 HG3 GLU 3 1HG GLU 3 -11.627 -3.026 3.950 23 H SER 4 H SER 4 -13.947 -2.203 0.274 24 HA SER 4 HA SER 4 -12.849 -3.687 -2.042 25 HB2 SER 4 2HB SER 4 -14.703 -1.292 -2.054 26 HB3 SER 4 1HB SER 4 -13.971 -1.996 -3.493 27 HG SER 4 HG SER 4 -15.781 -3.097 -3.454 28 H ILE 5 H ILE 5 -12.573 -0.692 -0.162 29 HA ILE 5 HA ILE 5 -10.892 0.662 -2.046 30 HB ILE 5 HB ILE 5 -11.496 1.248 0.861 31 HG12 ILE 5 2HG1 ILE 5 -12.668 3.242 -0.162 32 HG13 ILE 5 1HG1 ILE 5 -12.373 2.536 -1.744 33 HG21 ILE 5 1HG2 ILE 5 -9.260 2.077 0.398 34 HG22 ILE 5 2HG2 ILE 5 -10.388 3.427 0.530 35 HG23 ILE 5 3HG2 ILE 5 -9.836 2.891 -1.058 36 HD11 ILE 5 3HD1 ILE 5 -14.012 1.296 0.456 37 HD12 ILE 5 1HD1 ILE 5 -13.740 0.615 -1.148 38 HD13 ILE 5 2HD1 ILE 5 -14.638 2.122 -0.972 39 H VAL 6 H VAL 6 -10.137 -0.681 1.197 40 HA VAL 6 HA VAL 6 -7.324 -0.402 0.932 41 HB VAL 6 HB VAL 6 -8.842 -2.354 2.690 42 HG11 VAL 6 1HG1 VAL 6 -6.480 -2.934 2.487 43 HG12 VAL 6 2HG1 VAL 6 -6.829 -2.320 4.103 44 HG13 VAL 6 3HG1 VAL 6 -6.022 -1.287 2.921 45 HG21 VAL 6 3HG2 VAL 6 -9.581 -0.062 3.090 46 HG22 VAL 6 1HG2 VAL 6 -7.907 0.459 3.286 47 HG23 VAL 6 2HG2 VAL 6 -8.627 -0.651 4.453 48 H THR 7 H THR 7 -9.566 -3.022 0.168 49 HA THR 7 HA THR 7 -7.705 -4.979 -0.614 50 HB THR 7 HB THR 7 -10.447 -4.485 -1.823 51 HG1 THR 7 HG1 THR 7 -11.100 -5.057 0.108 52 HG21 THR 7 3HG2 THR 7 -8.738 -6.983 -1.729 53 HG22 THR 7 1HG2 THR 7 -9.099 -6.024 -3.166 54 HG23 THR 7 2HG2 THR 7 -10.389 -6.896 -2.340 55 H LYS 8 H LYS 8 -9.114 -2.252 -2.398 56 HA LYS 8 HA LYS 8 -7.913 -2.764 -4.899 57 HB2 LYS 8 2HB LYS 8 -9.724 -1.138 -4.642 58 HB3 LYS 8 1HB LYS 8 -8.700 -0.124 -3.636 59 HG2 LYS 8 2HG LYS 8 -7.183 0.208 -5.555 60 HG3 LYS 8 1HG LYS 8 -8.275 -0.751 -6.556 61 HD2 LYS 8 2HD LYS 8 -10.056 0.878 -6.202 62 HD3 LYS 8 1HD LYS 8 -9.009 1.815 -5.134 63 HE2 LYS 8 2HE LYS 8 -7.457 2.182 -7.018 64 HE3 LYS 8 1HE LYS 8 -8.553 1.294 -8.075 65 HZ1 LYS 8 3HZ LYS 8 -10.234 2.962 -7.716 66 HZ2 LYS 8 1HZ LYS 8 -8.818 3.706 -8.252 67 HZ3 LYS 8 2HZ LYS 8 -9.249 3.787 -6.622 68 H ILE 9 H ILE 9 -6.806 -0.881 -2.092 69 HA ILE 9 HA ILE 9 -4.378 0.071 -3.029 70 HB ILE 9 HB ILE 9 -5.028 -0.982 -0.262 71 HG12 ILE 9 2HG1 ILE 9 -5.038 1.836 -1.395 72 HG13 ILE 9 1HG1 ILE 9 -6.460 0.882 -0.991 73 HG21 ILE 9 1HG2 ILE 9 -3.116 0.371 0.522 74 HG22 ILE 9 2HG2 ILE 9 -2.695 0.715 -1.157 75 HG23 ILE 9 3HG2 ILE 9 -2.620 -0.938 -0.550 76 HD11 ILE 9 3HD1 ILE 9 -5.812 0.907 1.362 77 HD12 ILE 9 1HD1 ILE 9 -5.999 2.539 0.715 78 HD13 ILE 9 2HD1 ILE 9 -4.386 1.865 0.957 79 H ILE 10 H ILE 10 -5.082 -3.121 -1.612 80 HA ILE 10 HA ILE 10 -2.519 -4.235 -1.773 81 HB ILE 10 HB ILE 10 -5.179 -5.649 -2.105 82 HG12 ILE 10 2HG1 ILE 10 -3.512 -5.178 0.390 83 HG13 ILE 10 1HG1 ILE 10 -5.004 -4.334 -0.009 84 HG21 ILE 10 1HG2 ILE 10 -3.992 -7.662 -1.353 85 HG22 ILE 10 2HG2 ILE 10 -2.474 -6.761 -1.334 86 HG23 ILE 10 3HG2 ILE 10 -3.317 -7.038 -2.859 87 HD11 ILE 10 3HD1 ILE 10 -6.214 -6.474 0.101 88 HD12 ILE 10 1HD1 ILE 10 -5.425 -6.053 1.621 89 HD13 ILE 10 2HD1 ILE 10 -4.714 -7.276 0.569 90 H SER 11 H SER 11 -5.147 -4.237 -4.191 91 HA SER 11 HA SER 11 -3.842 -5.664 -6.221 92 HB2 SER 11 2HB SER 11 -5.864 -3.420 -6.519 93 HB3 SER 11 1HB SER 11 -5.418 -4.567 -7.782 94 HG SER 11 HG SER 11 -7.383 -5.007 -6.464 95 H ILE 12 H ILE 12 -3.830 -2.186 -5.508 96 HA ILE 12 HA ILE 12 -2.295 -1.300 -7.682 97 HB ILE 12 HB ILE 12 -2.375 -0.191 -4.861 98 HG12 ILE 12 2HG1 ILE 12 -3.951 0.645 -7.317 99 HG13 ILE 12 1HG1 ILE 12 -4.588 -0.355 -6.014 100 HG21 ILE 12 1HG2 ILE 12 -0.433 0.639 -6.094 101 HG22 ILE 12 2HG2 ILE 12 -1.616 1.920 -5.844 102 HG23 ILE 12 3HG2 ILE 12 -1.478 1.145 -7.421 103 HD11 ILE 12 3HD1 ILE 12 -5.306 1.948 -5.799 104 HD12 ILE 12 1HD1 ILE 12 -3.628 2.484 -5.741 105 HD13 ILE 12 2HD1 ILE 12 -4.280 1.479 -4.445 106 H VAL 13 H VAL 13 -1.254 -2.374 -4.444 107 HA VAL 13 HA VAL 13 1.513 -2.048 -4.803 108 HB VAL 13 HB VAL 13 0.091 -4.107 -3.089 109 HG11 VAL 13 1HG1 VAL 13 2.928 -3.072 -2.952 110 HG12 VAL 13 2HG1 VAL 13 2.423 -4.708 -3.370 111 HG13 VAL 13 3HG1 VAL 13 2.162 -4.097 -1.738 112 HG21 VAL 13 3HG2 VAL 13 1.066 -1.328 -2.395 113 HG22 VAL 13 1HG2 VAL 13 0.371 -2.490 -1.265 114 HG23 VAL 13 2HG2 VAL 13 -0.618 -1.828 -2.566 115 H GLN 14 H GLN 14 -0.513 -4.943 -5.277 116 HA GLN 14 HA GLN 14 1.466 -6.691 -6.219 117 HB2 GLN 14 2HB GLN 14 -0.869 -7.275 -5.508 118 HB3 GLN 14 1HB GLN 14 -1.459 -6.610 -7.018 119 HG2 GLN 14 2HG GLN 14 0.532 -8.859 -6.954 120 HG3 GLN 14 1HG GLN 14 -1.199 -9.149 -6.820 121 HE21 GLN 14 1HE2 GLN 14 0.589 -10.050 -8.870 122 HE22 GLN 14 2HE2 GLN 14 0.011 -9.399 -10.364 123 H GLU 15 H GLU 15 -0.560 -4.360 -7.933 124 HA GLU 15 HA GLU 15 0.074 -5.023 -10.575 125 HB2 GLU 15 2HB GLU 15 -1.793 -3.574 -9.935 126 HB3 GLU 15 1HB GLU 15 -0.666 -2.344 -9.385 127 HG2 GLU 15 2HG GLU 15 0.135 -2.033 -11.664 128 HG3 GLU 15 1HG GLU 15 -0.956 -3.298 -12.231 129 H ARG 16 H ARG 16 1.545 -2.506 -8.491 130 HA ARG 16 HA ARG 16 3.454 -1.604 -10.343 131 HB2 ARG 16 2HB ARG 16 3.611 -1.629 -7.316 132 HB3 ARG 16 1HB ARG 16 4.684 -0.713 -8.367 133 HG2 ARG 16 2HG ARG 16 1.695 -0.342 -8.155 134 HG3 ARG 16 1HG ARG 16 2.920 0.690 -7.418 135 HD2 ARG 16 2HD ARG 16 3.728 1.381 -9.573 136 HD3 ARG 16 1HD ARG 16 2.702 0.202 -10.391 137 HE ARG 16 HE ARG 16 1.355 2.229 -8.791 138 HH11 ARG 16 1HH1 ARG 16 2.410 1.242 -11.910 139 HH12 ARG 16 2HH1 ARG 16 1.225 2.189 -12.738 140 HH21 ARG 16 1HH2 ARG 16 -0.157 3.449 -9.858 141 HH22 ARG 16 2HH2 ARG 16 -0.226 3.408 -11.590 142 H GLN 17 H GLN 17 3.571 -4.292 -8.063 143 HA GLN 17 HA GLN 17 6.288 -5.003 -8.478 144 HB2 GLN 17 2HB GLN 17 3.896 -6.584 -7.538 145 HB3 GLN 17 1HB GLN 17 5.512 -7.273 -7.625 146 HG2 GLN 17 2HG GLN 17 6.339 -5.769 -5.987 147 HG3 GLN 17 1HG GLN 17 4.875 -4.787 -6.051 148 HE21 GLN 17 1HE2 GLN 17 3.058 -5.478 -4.975 149 HE22 GLN 17 2HE2 GLN 17 3.071 -6.782 -3.850 150 H ASN 18 H ASN 18 3.366 -5.659 -10.305 151 HA ASN 18 HA ASN 18 4.578 -7.634 -12.020 152 HB2 ASN 18 2HB ASN 18 2.043 -6.004 -12.246 153 HB3 ASN 18 1HB ASN 18 2.556 -7.137 -13.492 154 HD21 ASN 18 1HD2 ASN 18 3.135 -7.743 -10.101 155 HD22 ASN 18 2HD2 ASN 18 2.008 -9.035 -9.953 156 H MET 19 H MET 19 4.464 -4.179 -11.911 157 HA MET 19 HA MET 19 5.370 -3.717 -14.600 158 HB2 MET 19 2HB MET 19 5.570 -1.915 -12.164 159 HB3 MET 19 1HB MET 19 5.789 -1.420 -13.838 160 HG2 MET 19 2HG MET 19 3.236 -2.525 -12.685 161 HG3 MET 19 1HG MET 19 3.581 -0.815 -12.928 162 HE1 MET 19 3HE MET 19 0.895 -1.690 -15.689 163 HE2 MET 19 1HE MET 19 1.247 -0.710 -14.267 164 HE3 MET 19 2HE MET 19 1.010 -2.449 -14.102 165 H ASP 20 H ASP 20 6.996 -3.488 -11.417 166 HA ASP 20 HA ASP 20 9.536 -4.240 -12.734 167 HB2 ASP 20 2HB ASP 20 9.203 -2.535 -10.244 168 HB3 ASP 20 1HB ASP 20 10.727 -2.960 -11.020 169 H ASP 21 H ASP 21 9.631 -6.410 -12.350 170 HA ASP 21 HA ASP 21 8.456 -7.727 -10.162 171 HB2 ASP 21 2HB ASP 21 9.705 -9.722 -10.941 172 HB3 ASP 21 1HB ASP 21 8.881 -8.879 -12.251 173 H GLY 22 H GLY 22 11.423 -6.030 -10.291 174 HA2 GLY 22 2HA GLY 22 12.347 -7.359 -7.811 175 HA3 GLY 22 1HA GLY 22 13.428 -6.643 -8.992 176 H ALA 23 H ALA 23 10.430 -5.107 -7.937 177 HA ALA 23 HA ALA 23 11.962 -3.237 -6.261 178 HB1 ALA 23 3HB ALA 23 11.886 -2.267 -8.512 179 HB2 ALA 23 1HB ALA 23 10.986 -1.297 -7.348 180 HB3 ALA 23 2HB ALA 23 10.125 -2.339 -8.480 181 HA PRO 24 HA PRO 24 8.142 -3.419 -3.873 182 HB2 PRO 24 2HB PRO 24 8.949 -1.909 -1.792 183 HB3 PRO 24 1HB PRO 24 9.547 -3.555 -2.039 184 HG2 PRO 24 2HG PRO 24 10.882 -0.950 -2.591 185 HG3 PRO 24 1HG PRO 24 11.580 -2.467 -2.003 186 HD2 PRO 24 2HD PRO 24 11.668 -1.542 -4.637 187 HD3 PRO 24 1HD PRO 24 11.969 -3.213 -4.120 188 H VAL 25 H VAL 25 6.497 -1.892 -3.132 189 HA VAL 25 HA VAL 25 6.289 0.332 -4.987 190 HB VAL 25 HB VAL 25 4.206 -0.571 -2.995 191 HG11 VAL 25 1HG1 VAL 25 2.626 0.396 -4.597 192 HG12 VAL 25 2HG1 VAL 25 3.963 0.868 -5.645 193 HG13 VAL 25 3HG1 VAL 25 3.792 1.603 -4.050 194 HG21 VAL 25 3HG2 VAL 25 4.910 -2.508 -4.287 195 HG22 VAL 25 1HG2 VAL 25 4.703 -1.606 -5.789 196 HG23 VAL 25 2HG2 VAL 25 3.301 -1.993 -4.792 197 H LYS 26 H LYS 26 5.515 2.458 -4.312 198 HA LYS 26 HA LYS 26 6.935 3.343 -1.892 199 HB2 LYS 26 2HB LYS 26 5.879 5.149 -4.072 200 HB3 LYS 26 1HB LYS 26 7.137 5.487 -2.900 201 HG2 LYS 26 2HG LYS 26 8.243 5.232 -4.951 202 HG3 LYS 26 1HG LYS 26 8.529 3.719 -4.089 203 HD2 LYS 26 2HD LYS 26 7.005 2.533 -5.432 204 HD3 LYS 26 1HD LYS 26 6.240 4.008 -6.021 205 HE2 LYS 26 2HE LYS 26 9.082 3.214 -6.653 206 HE3 LYS 26 1HE LYS 26 7.702 2.851 -7.689 207 HZ1 LYS 26 3HZ LYS 26 7.269 5.228 -7.870 208 HZ2 LYS 26 1HZ LYS 26 8.823 4.846 -8.421 209 HZ3 LYS 26 2HZ LYS 26 8.618 5.566 -6.905 210 H THR 27 H THR 27 5.903 4.487 -0.267 211 HA THR 27 HA THR 27 3.171 4.206 0.201 212 HB THR 27 HB THR 27 4.985 6.364 1.322 213 HG1 THR 27 HG1 THR 27 5.632 4.899 2.757 214 HG21 THR 27 3HG2 THR 27 3.419 6.397 3.222 215 HG22 THR 27 1HG2 THR 27 2.367 5.265 2.369 216 HG23 THR 27 2HG2 THR 27 2.632 6.884 1.722 217 H ARG 28 H ARG 28 4.913 6.956 -1.237 218 HA ARG 28 HA ARG 28 2.743 8.748 -1.427 219 HB2 ARG 28 2HB ARG 28 5.150 8.502 -3.254 220 HB3 ARG 28 1HB ARG 28 4.076 9.892 -3.166 221 HG2 ARG 28 2HG ARG 28 5.776 8.878 -0.890 222 HG3 ARG 28 1HG ARG 28 6.202 10.218 -1.956 223 HD2 ARG 28 2HD ARG 28 3.753 10.115 -0.185 224 HD3 ARG 28 1HD ARG 28 5.248 10.966 0.202 225 HE ARG 28 HE ARG 28 4.194 11.809 -2.303 226 HH11 ARG 28 1HH1 ARG 28 3.889 12.238 1.108 227 HH12 ARG 28 2HH1 ARG 28 3.108 13.776 0.946 228 HH21 ARG 28 1HH2 ARG 28 3.204 13.802 -2.473 229 HH22 ARG 28 2HH2 ARG 28 2.728 14.638 -1.036 230 H ASP 29 H ASP 29 4.060 6.532 -3.899 231 HA ASP 29 HA ASP 29 2.172 7.033 -5.905 232 HB2 ASP 29 2HB ASP 29 3.749 4.502 -5.355 233 HB3 ASP 29 1HB ASP 29 2.937 4.884 -6.872 234 H ILE 30 H ILE 30 2.079 4.749 -3.202 235 HA ILE 30 HA ILE 30 -0.293 3.389 -3.961 236 HB ILE 30 HB ILE 30 0.915 3.813 -1.216 237 HG12 ILE 30 2HG1 ILE 30 0.984 1.417 -3.079 238 HG13 ILE 30 1HG1 ILE 30 2.319 2.531 -2.804 239 HG21 ILE 30 1HG2 ILE 30 -1.457 3.343 -0.980 240 HG22 ILE 30 2HG2 ILE 30 -0.513 1.944 -0.475 241 HG23 ILE 30 3HG2 ILE 30 -1.312 1.947 -2.047 242 HD11 ILE 30 3HD1 ILE 30 2.614 0.468 -1.562 243 HD12 ILE 30 1HD1 ILE 30 1.076 0.725 -0.739 244 HD13 ILE 30 2HD1 ILE 30 2.420 1.835 -0.466 245 H ALA 31 H ALA 31 0.189 6.006 -1.572 246 HA ALA 31 HA ALA 31 -2.474 6.370 -0.847 247 HB1 ALA 31 3HB ALA 31 -0.595 7.315 0.388 248 HB2 ALA 31 1HB ALA 31 -1.774 8.561 -0.013 249 HB3 ALA 31 2HB ALA 31 -0.275 8.435 -0.934 250 H ASP 32 H ASP 32 -0.632 7.937 -3.439 251 HA ASP 32 HA ASP 32 -2.611 9.784 -4.230 252 HB2 ASP 32 2HB ASP 32 -0.152 9.824 -4.842 253 HB3 ASP 32 1HB ASP 32 -0.494 8.562 -6.019 254 H ALA 33 H ALA 33 -1.736 6.613 -5.652 255 HA ALA 33 HA ALA 33 -3.804 6.565 -7.574 256 HB1 ALA 33 3HB ALA 33 -1.816 5.154 -7.737 257 HB2 ALA 33 1HB ALA 33 -3.292 4.192 -7.824 258 HB3 ALA 33 2HB ALA 33 -2.349 4.229 -6.333 259 H ALA 34 H ALA 34 -3.746 5.632 -4.198 260 HA ALA 34 HA ALA 34 -6.282 4.263 -4.257 261 HB1 ALA 34 3HB ALA 34 -6.071 4.175 -1.830 262 HB2 ALA 34 1HB ALA 34 -4.715 5.304 -1.893 263 HB3 ALA 34 2HB ALA 34 -4.560 3.697 -2.607 264 H GLY 35 H GLY 35 -5.238 7.560 -3.789 265 HA2 GLY 35 2HA GLY 35 -6.509 9.498 -3.782 266 HA3 GLY 35 1HA GLY 35 -7.959 8.513 -3.890 267 H LEU 36 H LEU 36 -5.380 8.599 -1.442 268 HA LEU 36 HA LEU 36 -7.321 9.562 0.556 269 HB2 LEU 36 2HB LEU 36 -5.478 7.189 0.902 270 HB3 LEU 36 1HB LEU 36 -6.399 7.927 2.199 271 HG LEU 36 HG LEU 36 -7.619 6.598 -0.233 272 HD11 LEU 36 1HD1 LEU 36 -6.470 4.970 1.183 273 HD12 LEU 36 2HD1 LEU 36 -8.221 4.777 1.275 274 HD13 LEU 36 3HD1 LEU 36 -7.351 5.565 2.591 275 HD21 LEU 36 3HD2 LEU 36 -9.049 8.335 0.704 276 HD22 LEU 36 1HD2 LEU 36 -8.879 7.631 2.313 277 HD23 LEU 36 2HD2 LEU 36 -9.716 6.739 1.042 278 H SER 37 H SER 37 -5.997 9.936 2.746 279 HA SER 37 HA SER 37 -3.901 11.826 2.075 280 HB2 SER 37 2HB SER 37 -5.073 11.058 4.766 281 HB3 SER 37 1HB SER 37 -3.915 12.364 4.503 282 HG SER 37 HG SER 37 -6.162 13.023 4.549 283 H ILE 38 H ILE 38 -1.745 11.738 2.692 284 HA ILE 38 HA ILE 38 -0.434 9.312 2.459 285 HB ILE 38 HB ILE 38 0.621 11.794 3.837 286 HG12 ILE 38 2HG1 ILE 38 -0.209 12.258 1.565 287 HG13 ILE 38 1HG1 ILE 38 1.544 12.394 1.638 288 HG21 ILE 38 1HG2 ILE 38 2.092 9.450 2.619 289 HG22 ILE 38 2HG2 ILE 38 2.027 9.884 4.327 290 HG23 ILE 38 3HG2 ILE 38 2.851 10.940 3.181 291 HD11 ILE 38 3HD1 ILE 38 1.763 10.200 0.604 292 HD12 ILE 38 1HD1 ILE 38 0.809 11.295 -0.398 293 HD13 ILE 38 2HD1 ILE 38 0.005 10.044 0.552 294 H TYR 39 H TYR 39 -0.838 11.176 5.492 295 HA TYR 39 HA TYR 39 0.271 9.349 7.270 296 HB2 TYR 39 2HB TYR 39 -0.338 11.633 7.902 297 HB3 TYR 39 1HB TYR 39 -2.044 11.254 7.718 298 HD1 TYR 39 HD2 TYR 39 0.969 10.566 9.770 299 HD2 TYR 39 HD1 TYR 39 -3.272 10.236 9.495 300 HE1 TYR 39 HE2 TYR 39 0.864 9.919 12.140 301 HE2 TYR 39 HE1 TYR 39 -3.381 9.596 11.866 302 HH TYR 39 HH TYR 39 -0.774 9.974 13.993 303 H GLN 40 H GLN 40 -3.124 9.627 6.262 304 HA GLN 40 HA GLN 40 -4.216 7.555 7.782 305 HB2 GLN 40 2HB GLN 40 -5.594 9.186 6.620 306 HB3 GLN 40 1HB GLN 40 -5.027 8.605 5.062 307 HG2 GLN 40 2HG GLN 40 -6.126 6.456 5.459 308 HG3 GLN 40 1HG GLN 40 -6.689 7.036 7.026 309 HE21 GLN 40 1HE2 GLN 40 -8.839 6.739 6.433 310 HE22 GLN 40 2HE2 GLN 40 -9.641 7.793 5.324 311 H VAL 41 H VAL 41 -2.858 7.446 4.490 312 HA VAL 41 HA VAL 41 -3.374 4.693 4.045 313 HB VAL 41 HB VAL 41 -1.312 6.488 2.747 314 HG11 VAL 41 1HG1 VAL 41 -1.321 4.862 0.903 315 HG12 VAL 41 2HG1 VAL 41 -2.385 3.811 1.837 316 HG13 VAL 41 3HG1 VAL 41 -0.746 4.135 2.404 317 HG21 VAL 41 3HG2 VAL 41 -3.586 7.315 2.476 318 HG22 VAL 41 1HG2 VAL 41 -4.111 5.735 1.889 319 HG23 VAL 41 2HG2 VAL 41 -2.970 6.694 0.944 320 H ARG 42 H ARG 42 -0.533 6.408 5.329 321 HA ARG 42 HA ARG 42 1.280 4.308 5.490 322 HB2 ARG 42 2HB ARG 42 0.837 6.611 7.402 323 HB3 ARG 42 1HB ARG 42 2.210 5.515 7.502 324 HG2 ARG 42 2HG ARG 42 2.981 6.219 5.314 325 HG3 ARG 42 1HG ARG 42 1.559 7.245 5.117 326 HD2 ARG 42 2HD ARG 42 3.526 8.552 5.771 327 HD3 ARG 42 1HD ARG 42 2.267 8.620 7.003 328 HE ARG 42 HE ARG 42 4.037 6.541 7.643 329 HH11 ARG 42 1HH1 ARG 42 3.951 9.987 7.525 330 HH12 ARG 42 2HH1 ARG 42 5.157 10.156 8.755 331 HH21 ARG 42 1HH2 ARG 42 5.581 6.796 9.219 332 HH22 ARG 42 2HH2 ARG 42 6.055 8.393 9.696 333 H LEU 43 H LEU 43 -1.261 5.212 7.813 334 HA LEU 43 HA LEU 43 -0.805 3.201 9.714 335 HB2 LEU 43 2HB LEU 43 -3.418 4.498 8.910 336 HB3 LEU 43 1HB LEU 43 -3.181 3.534 10.356 337 HG LEU 43 HG LEU 43 -1.812 6.165 9.760 338 HD11 LEU 43 1HD1 LEU 43 -4.180 6.460 10.234 339 HD12 LEU 43 2HD1 LEU 43 -3.200 7.047 11.578 340 HD13 LEU 43 3HD1 LEU 43 -4.024 5.491 11.701 341 HD21 LEU 43 3HD2 LEU 43 -0.984 6.029 12.052 342 HD22 LEU 43 1HD2 LEU 43 -0.408 4.668 11.091 343 HD23 LEU 43 2HD2 LEU 43 -1.727 4.440 12.244 344 H TYR 44 H TYR 44 -3.004 3.199 6.897 345 HA TYR 44 HA TYR 44 -4.027 0.607 7.214 346 HB2 TYR 44 2HB TYR 44 -3.574 2.170 4.659 347 HB3 TYR 44 1HB TYR 44 -4.548 0.709 4.774 348 HD1 TYR 44 HD1 TYR 44 -5.482 1.874 7.714 349 HD2 TYR 44 HD2 TYR 44 -5.664 3.178 3.661 350 HE1 TYR 44 HE1 TYR 44 -7.460 3.229 8.241 351 HE2 TYR 44 HE2 TYR 44 -7.644 4.539 4.187 352 HH TYR 44 HH TYR 44 -9.447 4.610 5.846 353 H LEU 45 H LEU 45 -1.153 1.705 5.444 354 HA LEU 45 HA LEU 45 -0.471 -0.779 4.299 355 HB2 LEU 45 2HB LEU 45 1.279 1.587 4.990 356 HB3 LEU 45 1HB LEU 45 1.776 0.236 3.985 357 HG LEU 45 HG LEU 45 -0.484 2.138 3.333 358 HD11 LEU 45 1HD1 LEU 45 1.675 3.256 3.213 359 HD12 LEU 45 2HD1 LEU 45 1.009 3.008 1.598 360 HD13 LEU 45 3HD1 LEU 45 2.303 1.963 2.187 361 HD21 LEU 45 3HD2 LEU 45 0.772 -0.086 1.718 362 HD22 LEU 45 1HD2 LEU 45 -0.425 1.064 1.120 363 HD23 LEU 45 2HD2 LEU 45 -0.856 -0.072 2.397 364 H GLU 46 H GLU 46 0.683 0.778 7.313 365 HA GLU 46 HA GLU 46 2.352 -1.336 8.131 366 HB2 GLU 46 2HB GLU 46 0.882 0.769 9.731 367 HB3 GLU 46 1HB GLU 46 1.979 -0.394 10.470 368 HG2 GLU 46 2HG GLU 46 3.779 0.437 8.957 369 HG3 GLU 46 1HG GLU 46 2.666 1.678 8.390 370 H GLN 47 H GLN 47 -1.120 -0.769 8.703 371 HA GLN 47 HA GLN 47 -1.681 -3.041 10.241 372 HB2 GLN 47 2HB GLN 47 -3.384 -1.653 8.159 373 HB3 GLN 47 1HB GLN 47 -3.983 -2.921 9.219 374 HG2 GLN 47 2HG GLN 47 -3.504 -1.520 11.164 375 HG3 GLN 47 1HG GLN 47 -2.897 -0.251 10.100 376 HE21 GLN 47 1HE2 GLN 47 -4.438 1.216 10.798 377 HE22 GLN 47 2HE2 GLN 47 -6.105 1.094 10.364 378 H LEU 48 H LEU 48 -1.522 -2.671 6.709 379 HA LEU 48 HA LEU 48 -2.320 -5.278 6.036 380 HB2 LEU 48 2HB LEU 48 -0.625 -3.279 4.544 381 HB3 LEU 48 1HB LEU 48 -1.106 -4.819 3.855 382 HG LEU 48 HG LEU 48 -3.002 -2.634 4.752 383 HD11 LEU 48 1HD1 LEU 48 -3.460 -2.321 2.380 384 HD12 LEU 48 2HD1 LEU 48 -2.259 -3.545 1.970 385 HD13 LEU 48 3HD1 LEU 48 -1.755 -2.034 2.729 386 HD21 LEU 48 3HD2 LEU 48 -4.740 -4.003 3.689 387 HD22 LEU 48 1HD2 LEU 48 -3.981 -4.846 5.040 388 HD23 LEU 48 2HD2 LEU 48 -3.554 -5.271 3.381 389 H HIS 49 H HIS 49 0.863 -4.024 6.933 390 HA HIS 49 HA HIS 49 2.226 -6.486 6.351 391 HB2 HIS 49 2HB HIS 49 3.503 -4.411 6.491 392 HB3 HIS 49 1HB HIS 49 3.024 -4.194 8.171 393 HD1 HIS 49 HD1 HIS 49 4.521 -7.216 6.392 394 HD2 HIS 49 HD2 HIS 49 5.254 -4.735 9.637 395 HE1 HIS 49 HE1 HIS 49 6.528 -8.182 7.529 396 HE2 HIS 49 HE2 HIS 49 7.068 -6.559 9.369 397 H ASP 50 H ASP 50 0.645 -5.133 9.195 398 HA ASP 50 HA ASP 50 1.411 -7.104 11.061 399 HB2 ASP 50 2HB ASP 50 0.482 -4.971 11.759 400 HB3 ASP 50 1HB ASP 50 -1.039 -5.326 10.948 401 H VAL 51 H VAL 51 -1.555 -6.838 9.074 402 HA VAL 51 HA VAL 51 -2.590 -9.361 9.962 403 HB VAL 51 HB VAL 51 -4.354 -9.042 8.286 404 HG11 VAL 51 1HG1 VAL 51 -4.582 -7.943 10.450 405 HG12 VAL 51 2HG1 VAL 51 -5.290 -6.948 9.180 406 HG13 VAL 51 3HG1 VAL 51 -3.713 -6.531 9.848 407 HG21 VAL 51 3HG2 VAL 51 -3.001 -8.071 6.490 408 HG22 VAL 51 1HG2 VAL 51 -2.786 -6.599 7.436 409 HG23 VAL 51 2HG2 VAL 51 -4.392 -7.051 6.858 410 H GLY 52 H GLY 52 -0.028 -8.815 7.985 411 HA2 GLY 52 2HA GLY 52 1.266 -10.479 7.008 412 HA3 GLY 52 1HA GLY 52 -0.084 -11.585 7.159 413 H VAL 53 H VAL 53 -0.455 -8.518 5.493 414 HA VAL 53 HA VAL 53 -0.742 -9.940 2.943 415 HB VAL 53 HB VAL 53 -1.376 -7.059 3.639 416 HG11 VAL 53 1HG1 VAL 53 -2.013 -8.630 1.133 417 HG12 VAL 53 2HG1 VAL 53 -0.834 -7.323 1.264 418 HG13 VAL 53 3HG1 VAL 53 -2.551 -6.987 1.488 419 HG21 VAL 53 3HG2 VAL 53 -3.713 -7.742 3.587 420 HG22 VAL 53 1HG2 VAL 53 -2.827 -8.687 4.783 421 HG23 VAL 53 2HG2 VAL 53 -3.240 -9.403 3.226 422 H LEU 54 H LEU 54 0.808 -6.919 4.071 423 HA LEU 54 HA LEU 54 2.622 -7.025 1.766 424 HB2 LEU 54 2HB LEU 54 2.050 -4.768 3.696 425 HB3 LEU 54 1HB LEU 54 3.130 -4.668 2.318 426 HG LEU 54 HG LEU 54 0.129 -5.041 2.243 427 HD11 LEU 54 1HD1 LEU 54 1.874 -2.770 1.282 428 HD12 LEU 54 2HD1 LEU 54 0.880 -2.760 2.737 429 HD13 LEU 54 3HD1 LEU 54 0.119 -2.865 1.151 430 HD21 LEU 54 3HD2 LEU 54 1.132 -6.367 0.470 431 HD22 LEU 54 1HD2 LEU 54 2.106 -4.989 -0.043 432 HD23 LEU 54 2HD2 LEU 54 0.350 -4.940 -0.209 433 H GLU 55 H GLU 55 4.826 -7.009 1.946 434 HA GLU 55 HA GLU 55 6.012 -7.650 4.523 435 HB2 GLU 55 2HB GLU 55 6.608 -9.004 2.546 436 HB3 GLU 55 1HB GLU 55 7.233 -7.568 1.749 437 HG2 GLU 55 2HG GLU 55 9.049 -8.898 2.635 438 HG3 GLU 55 1HG GLU 55 8.954 -7.353 3.479 439 H LYS 56 H LYS 56 7.571 -6.436 5.531 440 HA LYS 56 HA LYS 56 7.606 -3.583 4.920 441 HB2 LYS 56 2HB LYS 56 7.199 -4.328 7.223 442 HB3 LYS 56 1HB LYS 56 8.730 -5.185 7.234 443 HG2 LYS 56 2HG LYS 56 9.861 -2.946 6.923 444 HG3 LYS 56 1HG LYS 56 8.285 -2.204 7.220 445 HD2 LYS 56 2HD LYS 56 8.174 -3.356 9.401 446 HD3 LYS 56 1HD LYS 56 9.761 -4.059 9.100 447 HE2 LYS 56 2HE LYS 56 10.064 -2.180 10.543 448 HE3 LYS 56 1HE LYS 56 10.677 -1.730 8.953 449 HZ1 LYS 56 3HZ LYS 56 7.981 -1.020 9.976 450 HZ2 LYS 56 1HZ LYS 56 8.688 -0.482 8.536 451 HZ3 LYS 56 2HZ LYS 56 9.322 0.007 10.024 452 H VAL 57 H VAL 57 9.088 -2.986 3.388 453 HA VAL 57 HA VAL 57 11.761 -4.251 3.460 454 HB VAL 57 HB VAL 57 10.462 -2.756 1.166 455 HG11 VAL 57 1HG1 VAL 57 13.010 -4.386 1.261 456 HG12 VAL 57 2HG1 VAL 57 12.908 -2.631 1.122 457 HG13 VAL 57 3HG1 VAL 57 12.306 -3.654 -0.182 458 HG21 VAL 57 3HG2 VAL 57 10.171 -4.943 0.116 459 HG22 VAL 57 1HG2 VAL 57 9.310 -4.873 1.655 460 HG23 VAL 57 2HG2 VAL 57 10.847 -5.734 1.542 461 H ASN 58 H ASN 58 13.052 -3.003 4.737 462 HA ASN 58 HA ASN 58 13.277 -0.135 4.043 463 HB2 ASN 58 2HB ASN 58 12.474 -0.497 6.360 464 HB3 ASN 58 1HB ASN 58 13.917 -1.442 6.703 465 HD21 ASN 58 1HD2 ASN 58 13.724 1.529 4.800 466 HD22 ASN 58 2HD2 ASN 58 14.688 2.477 5.874 467 H ALA 59 H ALA 59 15.050 0.225 2.863 468 HA ALA 59 HA ALA 59 17.287 -1.615 2.885 469 HB1 ALA 59 3HB ALA 59 18.147 -0.294 1.041 470 HB2 ALA 59 1HB ALA 59 16.930 0.951 1.333 471 HB3 ALA 59 2HB ALA 59 16.440 -0.653 0.786 472 H GLY 60 H GLY 60 16.508 0.876 4.891 473 HA2 GLY 60 2HA GLY 60 18.468 1.095 6.566 474 HA3 GLY 60 1HA GLY 60 19.277 1.840 5.197 475 H LYS 61 H LYS 61 19.502 3.753 6.522 476 HA LYS 61 HA LYS 61 17.119 5.166 7.371 477 HB2 LYS 61 2HB LYS 61 20.010 6.068 7.374 478 HB3 LYS 61 1HB LYS 61 18.673 6.914 8.141 479 HG2 LYS 61 2HG LYS 61 18.319 4.886 9.572 480 HG3 LYS 61 1HG LYS 61 19.814 4.228 8.903 481 HD2 LYS 61 2HD LYS 61 19.529 6.806 10.458 482 HD3 LYS 61 1HD LYS 61 20.215 5.299 11.061 483 HE2 LYS 61 2HE LYS 61 21.326 6.919 8.766 484 HE3 LYS 61 1HE LYS 61 21.936 6.950 10.417 485 HZ1 LYS 61 3HZ LYS 61 23.256 5.500 9.038 486 HZ2 LYS 61 1HZ LYS 61 21.899 4.583 8.625 487 HZ3 LYS 61 2HZ LYS 61 22.458 4.593 10.220 488 H GLY 62 H GLY 62 16.688 7.423 6.701 489 HA2 GLY 62 2HA GLY 62 16.544 9.135 5.112 490 HA3 GLY 62 1HA GLY 62 17.696 8.270 4.106 491 H VAL 63 H VAL 63 16.635 5.953 3.486 492 HA VAL 63 HA VAL 63 14.272 6.549 1.941 493 HB VAL 63 HB VAL 63 14.428 4.190 1.173 494 HG11 VAL 63 1HG1 VAL 63 17.016 5.749 1.047 495 HG12 VAL 63 2HG1 VAL 63 15.631 5.931 -0.028 496 HG13 VAL 63 3HG1 VAL 63 16.561 4.433 -0.036 497 HG21 VAL 63 3HG2 VAL 63 15.308 3.156 3.203 498 HG22 VAL 63 1HG2 VAL 63 16.821 4.046 3.022 499 HG23 VAL 63 2HG2 VAL 63 16.370 2.821 1.837 500 HA PRO 64 HA PRO 64 11.420 5.297 5.121 501 HB2 PRO 64 2HB PRO 64 9.139 5.278 3.684 502 HB3 PRO 64 1HB PRO 64 9.985 6.782 4.072 503 HG2 PRO 64 2HG PRO 64 10.046 5.178 1.535 504 HG3 PRO 64 1HG PRO 64 9.878 6.933 1.743 505 HD2 PRO 64 2HD PRO 64 12.243 5.734 1.120 506 HD3 PRO 64 1HD PRO 64 12.145 7.237 2.058 507 H GLY 65 H GLY 65 9.366 3.707 5.183 508 HA2 GLY 65 2HA GLY 65 10.381 1.053 4.677 509 HA3 GLY 65 1HA GLY 65 8.845 1.462 5.426 510 H LEU 66 H LEU 66 10.448 0.576 2.509 511 HA LEU 66 HA LEU 66 8.307 1.194 0.709 512 HB2 LEU 66 2HB LEU 66 10.707 -0.620 0.416 513 HB3 LEU 66 1HB LEU 66 9.598 -0.228 -0.890 514 HG LEU 66 HG LEU 66 11.294 1.784 0.606 515 HD11 LEU 66 1HD1 LEU 66 12.649 0.302 -0.792 516 HD12 LEU 66 2HD1 LEU 66 12.605 1.943 -1.438 517 HD13 LEU 66 3HD1 LEU 66 11.627 0.677 -2.181 518 HD21 LEU 66 3HD2 LEU 66 9.495 2.097 -1.804 519 HD22 LEU 66 1HD2 LEU 66 10.575 3.339 -1.166 520 HD23 LEU 66 2HD2 LEU 66 9.221 2.765 -0.194 521 H TRP 67 H TRP 67 6.781 -0.191 -0.228 522 HA TRP 67 HA TRP 67 6.109 -2.448 1.548 523 HB2 TRP 67 2HB TRP 67 4.239 -0.775 -0.143 524 HB3 TRP 67 1HB TRP 67 3.775 -1.991 1.046 525 HD1 TRP 67 HD1 TRP 67 4.636 1.635 0.714 526 HE1 TRP 67 HE1 TRP 67 4.611 2.766 3.020 527 HE3 TRP 67 HE3 TRP 67 4.343 -2.537 3.649 528 HZ2 TRP 67 HZ2 TRP 67 4.481 1.993 5.736 529 HZ3 TRP 67 HZ3 TRP 67 4.280 -2.260 6.093 530 HH2 TRP 67 HH2 TRP 67 4.348 -0.039 7.114 531 H ARG 68 H ARG 68 6.425 -4.381 0.708 532 HA ARG 68 HA ARG 68 5.517 -4.892 -2.068 533 HB2 ARG 68 2HB ARG 68 7.989 -5.193 -1.735 534 HB3 ARG 68 1HB ARG 68 7.644 -6.420 -0.525 535 HG2 ARG 68 2HG ARG 68 6.678 -7.866 -2.166 536 HG3 ARG 68 1HG ARG 68 6.742 -6.603 -3.394 537 HD2 ARG 68 2HD ARG 68 9.184 -6.660 -3.334 538 HD3 ARG 68 1HD ARG 68 9.131 -7.902 -2.080 539 HE ARG 68 HE ARG 68 7.716 -9.061 -4.013 540 HH11 ARG 68 1HH1 ARG 68 10.750 -7.425 -4.171 541 HH12 ARG 68 2HH1 ARG 68 11.308 -8.387 -5.497 542 HH21 ARG 68 1HH2 ARG 68 8.455 -10.281 -5.692 543 HH22 ARG 68 2HH2 ARG 68 10.032 -9.987 -6.332 544 H LEU 69 H LEU 69 4.887 -7.480 -2.158 545 HA LEU 69 HA LEU 69 3.249 -7.967 0.243 546 HB2 LEU 69 2HB LEU 69 2.083 -9.689 -1.186 547 HB3 LEU 69 1HB LEU 69 1.872 -8.016 -1.654 548 HG LEU 69 HG LEU 69 3.639 -8.386 -3.430 549 HD11 LEU 69 1HD1 LEU 69 4.704 -10.380 -2.544 550 HD12 LEU 69 2HD1 LEU 69 4.049 -10.690 -4.152 551 HD13 LEU 69 3HD1 LEU 69 3.201 -11.286 -2.726 552 HD21 LEU 69 3HD2 LEU 69 1.276 -8.290 -3.971 553 HD22 LEU 69 1HD2 LEU 69 1.093 -10.005 -3.592 554 HD23 LEU 69 2HD2 LEU 69 2.083 -9.503 -4.966 555 H LEU 70 H LEU 70 3.062 -10.189 1.085 556 HA LEU 70 HA LEU 70 5.610 -11.412 1.464 557 HB2 LEU 70 2HB LEU 70 2.844 -12.454 2.116 558 HB3 LEU 70 1HB LEU 70 4.343 -13.190 2.651 559 HG LEU 70 HG LEU 70 3.314 -10.457 3.445 560 HD11 LEU 70 1HD1 LEU 70 3.130 -11.434 5.673 561 HD12 LEU 70 2HD1 LEU 70 3.675 -12.992 5.047 562 HD13 LEU 70 3HD1 LEU 70 2.137 -12.314 4.513 563 HD21 LEU 70 3HD2 LEU 70 5.844 -11.883 4.273 564 HD22 LEU 70 1HD2 LEU 70 5.249 -10.360 4.936 565 HD23 LEU 70 2HD2 LEU 70 5.749 -10.451 3.247 566 H GLU 71 H GLU 71 6.494 -12.109 -0.436 567 HA GLU 71 HA GLU 71 4.913 -13.645 -2.339 568 HB2 GLU 71 2HB GLU 71 6.454 -11.811 -3.051 569 HB3 GLU 71 1HB GLU 71 7.812 -12.785 -2.504 570 HG2 GLU 71 2HG GLU 71 7.177 -14.528 -4.140 571 HG3 GLU 71 1HG GLU 71 5.886 -13.476 -4.720 Start of MODEL 9 1 H1 MET 1 1H MET 1 -11.256 -7.536 6.767 2 H2 MET 1 2H MET 1 -12.584 -8.568 6.596 3 H3 MET 1 3H MET 1 -12.208 -7.922 8.111 4 HA MET 1 HA MET 1 -14.097 -6.790 7.162 5 HB2 MET 1 2HB MET 1 -12.610 -5.529 8.627 6 HB3 MET 1 1HB MET 1 -11.569 -5.128 7.267 7 HG2 MET 1 2HG MET 1 -13.395 -3.844 6.257 8 HG3 MET 1 1HG MET 1 -14.421 -4.230 7.636 9 HE1 MET 1 3HE MET 1 -14.861 -1.567 7.830 10 HE2 MET 1 1HE MET 1 -13.731 -1.239 6.516 11 HE3 MET 1 2HE MET 1 -13.570 -0.389 8.055 12 H SER 2 H SER 2 -14.995 -7.080 5.177 13 HA SER 2 HA SER 2 -13.621 -6.711 2.714 14 HB2 SER 2 2HB SER 2 -15.590 -8.148 2.825 15 HB3 SER 2 1HB SER 2 -16.598 -6.777 3.287 16 HG SER 2 HG SER 2 -16.889 -6.531 1.225 17 H GLU 3 H GLU 3 -12.746 -4.729 2.343 18 HA GLU 3 HA GLU 3 -14.593 -2.432 2.200 19 HB2 GLU 3 2HB GLU 3 -13.386 -2.115 4.253 20 HB3 GLU 3 1HB GLU 3 -11.855 -2.490 3.481 21 HG2 GLU 3 2HG GLU 3 -12.047 -0.117 3.927 22 HG3 GLU 3 1HG GLU 3 -11.975 -0.422 2.195 23 H SER 4 H SER 4 -14.490 -1.315 0.345 24 HA SER 4 HA SER 4 -12.940 -2.191 -1.847 25 HB2 SER 4 2HB SER 4 -14.486 0.386 -1.454 26 HB3 SER 4 1HB SER 4 -13.785 -0.122 -2.991 27 HG SER 4 HG SER 4 -16.045 -1.022 -1.688 28 H ILE 5 H ILE 5 -12.455 0.441 0.458 29 HA ILE 5 HA ILE 5 -10.332 1.762 -0.819 30 HB ILE 5 HB ILE 5 -10.790 1.415 2.159 31 HG12 ILE 5 2HG1 ILE 5 -12.708 2.445 1.021 32 HG13 ILE 5 1HG1 ILE 5 -11.880 3.629 2.026 33 HG21 ILE 5 1HG2 ILE 5 -8.508 2.119 1.728 34 HG22 ILE 5 2HG2 ILE 5 -9.431 3.457 2.411 35 HG23 ILE 5 3HG2 ILE 5 -9.078 3.420 0.683 36 HD11 ILE 5 3HD1 ILE 5 -11.625 3.358 -0.963 37 HD12 ILE 5 1HD1 ILE 5 -10.793 4.547 0.041 38 HD13 ILE 5 2HD1 ILE 5 -12.552 4.584 -0.098 39 H VAL 6 H VAL 6 -10.231 -0.900 1.561 40 HA VAL 6 HA VAL 6 -7.442 -1.270 1.588 41 HB VAL 6 HB VAL 6 -9.589 -3.372 2.016 42 HG11 VAL 6 1HG1 VAL 6 -7.392 -4.367 1.652 43 HG12 VAL 6 2HG1 VAL 6 -7.882 -4.551 3.336 44 HG13 VAL 6 3HG1 VAL 6 -6.697 -3.322 2.892 45 HG21 VAL 6 3HG2 VAL 6 -9.346 -2.856 4.409 46 HG22 VAL 6 1HG2 VAL 6 -9.909 -1.457 3.496 47 HG23 VAL 6 2HG2 VAL 6 -8.226 -1.552 4.012 48 H THR 7 H THR 7 -9.959 -2.901 -0.347 49 HA THR 7 HA THR 7 -8.305 -4.590 -1.844 50 HB THR 7 HB THR 7 -10.921 -3.299 -2.673 51 HG1 THR 7 HG1 THR 7 -11.432 -4.615 -1.024 52 HG21 THR 7 3HG2 THR 7 -9.487 -5.682 -3.868 53 HG22 THR 7 1HG2 THR 7 -9.703 -4.112 -4.639 54 HG23 THR 7 2HG2 THR 7 -11.102 -5.130 -4.306 55 H LYS 8 H LYS 8 -9.247 -1.221 -2.455 56 HA LYS 8 HA LYS 8 -8.088 -0.866 -4.970 57 HB2 LYS 8 2HB LYS 8 -9.547 0.803 -3.900 58 HB3 LYS 8 1HB LYS 8 -8.315 1.115 -2.685 59 HG2 LYS 8 2HG LYS 8 -8.292 2.886 -4.310 60 HG3 LYS 8 1HG LYS 8 -6.813 1.938 -4.481 61 HD2 LYS 8 2HD LYS 8 -7.754 0.771 -6.406 62 HD3 LYS 8 1HD LYS 8 -9.282 1.633 -6.202 63 HE2 LYS 8 2HE LYS 8 -8.098 3.765 -6.613 64 HE3 LYS 8 1HE LYS 8 -6.607 2.865 -6.886 65 HZ1 LYS 8 3HZ LYS 8 -7.657 1.755 -8.753 66 HZ2 LYS 8 1HZ LYS 8 -7.699 3.434 -8.964 67 HZ3 LYS 8 2HZ LYS 8 -9.092 2.607 -8.484 68 H ILE 9 H ILE 9 -6.681 -0.205 -1.765 69 HA ILE 9 HA ILE 9 -4.108 0.490 -2.596 70 HB ILE 9 HB ILE 9 -5.006 -0.798 -0.008 71 HG12 ILE 9 2HG1 ILE 9 -4.464 2.094 -0.758 72 HG13 ILE 9 1HG1 ILE 9 -6.050 1.379 -0.492 73 HG21 ILE 9 1HG2 ILE 9 -2.903 0.028 0.960 74 HG22 ILE 9 2HG2 ILE 9 -2.378 0.562 -0.637 75 HG23 ILE 9 3HG2 ILE 9 -2.610 -1.156 -0.314 76 HD11 ILE 9 3HD1 ILE 9 -3.885 1.732 1.567 77 HD12 ILE 9 1HD1 ILE 9 -5.449 0.968 1.850 78 HD13 ILE 9 2HD1 ILE 9 -5.365 2.676 1.420 79 H ILE 10 H ILE 10 -5.316 -2.733 -1.588 80 HA ILE 10 HA ILE 10 -2.909 -4.141 -1.926 81 HB ILE 10 HB ILE 10 -5.751 -5.149 -2.246 82 HG12 ILE 10 2HG1 ILE 10 -3.850 -5.237 0.121 83 HG13 ILE 10 1HG1 ILE 10 -5.265 -4.200 -0.021 84 HG21 ILE 10 1HG2 ILE 10 -3.185 -6.708 -1.903 85 HG22 ILE 10 2HG2 ILE 10 -4.208 -6.673 -3.341 86 HG23 ILE 10 3HG2 ILE 10 -4.809 -7.393 -1.847 87 HD11 ILE 10 3HD1 ILE 10 -6.705 -6.179 -0.051 88 HD12 ILE 10 1HD1 ILE 10 -5.718 -6.104 1.408 89 HD13 ILE 10 2HD1 ILE 10 -5.284 -7.210 0.106 90 H SER 11 H SER 11 -5.536 -3.537 -4.253 91 HA SER 11 HA SER 11 -4.461 -5.011 -6.405 92 HB2 SER 11 2HB SER 11 -6.803 -4.255 -6.355 93 HB3 SER 11 1HB SER 11 -6.271 -2.578 -6.494 94 HG SER 11 HG SER 11 -6.676 -4.390 -8.432 95 H ILE 12 H ILE 12 -3.869 -1.724 -5.305 96 HA ILE 12 HA ILE 12 -2.309 -0.891 -7.552 97 HB ILE 12 HB ILE 12 -2.393 0.152 -4.711 98 HG12 ILE 12 2HG1 ILE 12 -3.615 1.280 -7.250 99 HG13 ILE 12 1HG1 ILE 12 -4.499 0.327 -6.064 100 HG21 ILE 12 1HG2 ILE 12 -0.261 0.747 -5.714 101 HG22 ILE 12 2HG2 ILE 12 -1.289 2.175 -5.603 102 HG23 ILE 12 3HG2 ILE 12 -1.081 1.357 -7.152 103 HD11 ILE 12 3HD1 ILE 12 -4.903 2.705 -5.798 104 HD12 ILE 12 1HD1 ILE 12 -3.180 2.980 -5.541 105 HD13 ILE 12 2HD1 ILE 12 -4.107 2.026 -4.380 106 H VAL 13 H VAL 13 -1.402 -2.048 -4.288 107 HA VAL 13 HA VAL 13 1.370 -2.101 -4.618 108 HB VAL 13 HB VAL 13 -0.330 -4.032 -3.013 109 HG11 VAL 13 1HG1 VAL 13 1.910 -4.923 -3.318 110 HG12 VAL 13 2HG1 VAL 13 1.711 -4.369 -1.655 111 HG13 VAL 13 3HG1 VAL 13 2.619 -3.389 -2.807 112 HG21 VAL 13 3HG2 VAL 13 -0.714 -1.682 -2.408 113 HG22 VAL 13 1HG2 VAL 13 1.018 -1.465 -2.157 114 HG23 VAL 13 2HG2 VAL 13 0.105 -2.556 -1.116 115 H GLN 14 H GLN 14 -1.038 -4.603 -5.364 116 HA GLN 14 HA GLN 14 0.770 -6.526 -6.372 117 HB2 GLN 14 2HB GLN 14 -1.581 -6.992 -5.681 118 HB3 GLN 14 1HB GLN 14 -2.143 -6.146 -7.116 119 HG2 GLN 14 2HG GLN 14 -1.057 -7.787 -8.542 120 HG3 GLN 14 1HG GLN 14 -0.410 -8.615 -7.126 121 HE21 GLN 14 1HE2 GLN 14 -1.450 -10.542 -7.598 122 HE22 GLN 14 2HE2 GLN 14 -3.158 -10.740 -7.453 123 H GLU 15 H GLU 15 -1.043 -3.908 -7.955 124 HA GLU 15 HA GLU 15 -0.379 -4.393 -10.616 125 HB2 GLU 15 2HB GLU 15 -1.979 -2.662 -9.917 126 HB3 GLU 15 1HB GLU 15 -0.675 -1.724 -9.208 127 HG2 GLU 15 2HG GLU 15 -1.268 -0.744 -11.303 128 HG3 GLU 15 1HG GLU 15 0.325 -1.482 -11.467 129 H ARG 16 H ARG 16 1.405 -2.491 -8.188 130 HA ARG 16 HA ARG 16 3.585 -1.834 -9.857 131 HB2 ARG 16 2HB ARG 16 3.503 -2.053 -6.841 132 HB3 ARG 16 1HB ARG 16 4.774 -1.267 -7.770 133 HG2 ARG 16 2HG ARG 16 1.884 -0.419 -7.577 134 HG3 ARG 16 1HG ARG 16 3.280 0.402 -6.882 135 HD2 ARG 16 2HD ARG 16 3.810 0.112 -9.652 136 HD3 ARG 16 1HD ARG 16 2.141 0.663 -9.512 137 HE ARG 16 HE ARG 16 3.245 2.429 -7.949 138 HH11 ARG 16 1HH1 ARG 16 4.563 1.163 -10.867 139 HH12 ARG 16 2HH1 ARG 16 5.432 2.610 -11.235 140 HH21 ARG 16 1HH2 ARG 16 4.361 4.289 -8.436 141 HH22 ARG 16 2HH2 ARG 16 5.346 4.349 -9.858 142 H GLN 17 H GLN 17 2.975 -4.613 -7.769 143 HA GLN 17 HA GLN 17 5.492 -5.879 -8.035 144 HB2 GLN 17 2HB GLN 17 2.719 -6.836 -7.396 145 HB3 GLN 17 1HB GLN 17 4.002 -8.007 -7.655 146 HG2 GLN 17 2HG GLN 17 4.217 -5.778 -5.648 147 HG3 GLN 17 1HG GLN 17 3.530 -7.354 -5.263 148 HE21 GLN 17 1HE2 GLN 17 5.120 -7.912 -3.809 149 HE22 GLN 17 2HE2 GLN 17 6.742 -8.253 -4.274 150 H ASN 18 H ASN 18 2.579 -5.987 -10.031 151 HA ASN 18 HA ASN 18 3.536 -8.069 -11.747 152 HB2 ASN 18 2HB ASN 18 1.194 -6.172 -11.965 153 HB3 ASN 18 1HB ASN 18 1.520 -7.450 -13.132 154 HD21 ASN 18 1HD2 ASN 18 -0.493 -8.391 -12.603 155 HD22 ASN 18 2HD2 ASN 18 -0.704 -9.300 -11.150 156 H MET 19 H MET 19 3.878 -4.596 -11.756 157 HA MET 19 HA MET 19 4.702 -4.519 -14.540 158 HB2 MET 19 2HB MET 19 5.199 -2.167 -14.190 159 HB3 MET 19 1HB MET 19 3.609 -2.549 -13.552 160 HG2 MET 19 2HG MET 19 4.391 -2.474 -11.319 161 HG3 MET 19 1HG MET 19 6.072 -2.405 -11.837 162 HE1 MET 19 3HE MET 19 6.125 -0.315 -14.159 163 HE2 MET 19 1HE MET 19 7.257 -0.342 -12.804 164 HE3 MET 19 2HE MET 19 6.453 1.161 -13.251 165 H ASP 20 H ASP 20 6.266 -4.743 -11.398 166 HA ASP 20 HA ASP 20 8.755 -5.465 -12.704 167 HB2 ASP 20 2HB ASP 20 8.792 -2.949 -12.403 168 HB3 ASP 20 1HB ASP 20 8.776 -3.231 -10.663 169 H ASP 21 H ASP 21 9.337 -7.295 -11.744 170 HA ASP 21 HA ASP 21 8.175 -8.191 -9.312 171 HB2 ASP 21 2HB ASP 21 10.488 -9.355 -10.873 172 HB3 ASP 21 1HB ASP 21 9.557 -10.191 -9.632 173 H GLY 22 H GLY 22 10.919 -6.235 -9.832 174 HA2 GLY 22 2HA GLY 22 12.018 -6.974 -7.172 175 HA3 GLY 22 1HA GLY 22 13.003 -6.398 -8.505 176 H ALA 23 H ALA 23 10.002 -4.784 -8.203 177 HA ALA 23 HA ALA 23 11.380 -2.455 -7.030 178 HB1 ALA 23 3HB ALA 23 10.554 -2.117 -9.295 179 HB2 ALA 23 1HB ALA 23 9.697 -1.080 -8.151 180 HB3 ALA 23 2HB ALA 23 8.921 -2.538 -8.776 181 HA PRO 24 HA PRO 24 8.486 -2.989 -3.551 182 HB2 PRO 24 2HB PRO 24 9.744 -1.237 -1.907 183 HB3 PRO 24 1HB PRO 24 10.308 -2.898 -2.135 184 HG2 PRO 24 2HG PRO 24 11.307 -0.367 -3.403 185 HG3 PRO 24 1HG PRO 24 12.235 -1.717 -2.721 186 HD2 PRO 24 2HD PRO 24 11.808 -1.429 -5.390 187 HD3 PRO 24 1HD PRO 24 11.970 -3.017 -4.613 188 H VAL 25 H VAL 25 6.713 -1.765 -3.017 189 HA VAL 25 HA VAL 25 6.175 0.548 -4.651 190 HB VAL 25 HB VAL 25 4.382 -0.527 -2.472 191 HG11 VAL 25 1HG1 VAL 25 2.589 0.284 -3.952 192 HG12 VAL 25 2HG1 VAL 25 3.802 0.880 -5.085 193 HG13 VAL 25 3HG1 VAL 25 3.683 1.579 -3.468 194 HG21 VAL 25 3HG2 VAL 25 5.060 -2.441 -3.795 195 HG22 VAL 25 1HG2 VAL 25 4.665 -1.589 -5.289 196 HG23 VAL 25 2HG2 VAL 25 3.384 -2.029 -4.157 197 H LYS 26 H LYS 26 5.407 2.612 -3.807 198 HA LYS 26 HA LYS 26 6.810 3.351 -1.317 199 HB2 LYS 26 2HB LYS 26 5.987 5.200 -3.575 200 HB3 LYS 26 1HB LYS 26 7.011 5.595 -2.204 201 HG2 LYS 26 2HG LYS 26 8.476 5.354 -4.017 202 HG3 LYS 26 1HG LYS 26 8.639 3.856 -3.100 203 HD2 LYS 26 2HD LYS 26 7.155 2.716 -4.684 204 HD3 LYS 26 1HD LYS 26 6.941 4.216 -5.583 205 HE2 LYS 26 2HE LYS 26 8.559 2.736 -6.673 206 HE3 LYS 26 1HE LYS 26 9.315 4.237 -6.143 207 HZ1 LYS 26 3HZ LYS 26 9.435 1.669 -4.663 208 HZ2 LYS 26 1HZ LYS 26 10.235 3.099 -4.253 209 HZ3 LYS 26 2HZ LYS 26 10.662 2.264 -5.658 210 H THR 27 H THR 27 5.719 4.403 0.318 211 HA THR 27 HA THR 27 2.984 4.110 0.652 212 HB THR 27 HB THR 27 4.718 6.232 1.956 213 HG1 THR 27 HG1 THR 27 5.631 4.511 2.807 214 HG21 THR 27 3HG2 THR 27 2.100 5.003 2.856 215 HG22 THR 27 1HG2 THR 27 2.325 6.657 2.285 216 HG23 THR 27 2HG2 THR 27 3.078 6.135 3.791 217 H ARG 28 H ARG 28 4.698 7.110 -0.265 218 HA ARG 28 HA ARG 28 2.381 8.670 -0.675 219 HB2 ARG 28 2HB ARG 28 5.182 8.956 -1.782 220 HB3 ARG 28 1HB ARG 28 3.922 10.170 -1.982 221 HG2 ARG 28 2HG ARG 28 3.769 10.400 0.461 222 HG3 ARG 28 1HG ARG 28 5.056 9.209 0.643 223 HD2 ARG 28 2HD ARG 28 6.629 10.656 -0.459 224 HD3 ARG 28 1HD ARG 28 5.354 11.809 -0.858 225 HE ARG 28 HE ARG 28 5.369 11.509 1.904 226 HH11 ARG 28 1HH1 ARG 28 7.534 12.654 -0.521 227 HH12 ARG 28 2HH1 ARG 28 8.217 13.854 0.519 228 HH21 ARG 28 1HH2 ARG 28 6.262 13.030 3.226 229 HH22 ARG 28 2HH2 ARG 28 7.513 14.060 2.618 230 H ASP 29 H ASP 29 4.088 6.460 -2.796 231 HA ASP 29 HA ASP 29 2.952 7.259 -5.253 232 HB2 ASP 29 2HB ASP 29 4.901 5.828 -5.207 233 HB3 ASP 29 1HB ASP 29 4.020 4.579 -4.331 234 H ILE 30 H ILE 30 2.015 4.601 -3.046 235 HA ILE 30 HA ILE 30 -0.318 3.789 -4.340 236 HB ILE 30 HB ILE 30 0.159 3.855 -1.345 237 HG12 ILE 30 2HG1 ILE 30 0.745 1.657 -3.352 238 HG13 ILE 30 1HG1 ILE 30 1.954 2.694 -2.606 239 HG21 ILE 30 1HG2 ILE 30 -1.725 2.160 -2.997 240 HG22 ILE 30 2HG2 ILE 30 -2.186 3.467 -1.905 241 HG23 ILE 30 3HG2 ILE 30 -1.450 2.001 -1.262 242 HD11 ILE 30 3HD1 ILE 30 1.870 0.517 -1.549 243 HD12 ILE 30 1HD1 ILE 30 0.167 0.751 -1.160 244 HD13 ILE 30 2HD1 ILE 30 1.392 1.783 -0.420 245 H ALA 31 H ALA 31 0.133 6.324 -1.893 246 HA ALA 31 HA ALA 31 -2.525 7.124 -1.573 247 HB1 ALA 31 3HB ALA 31 -0.707 7.850 -0.107 248 HB2 ALA 31 1HB ALA 31 -1.613 9.230 -0.731 249 HB3 ALA 31 2HB ALA 31 -0.037 8.831 -1.414 250 H ASP 32 H ASP 32 -0.170 8.021 -4.055 251 HA ASP 32 HA ASP 32 -1.803 10.051 -5.248 252 HB2 ASP 32 2HB ASP 32 0.657 10.012 -5.479 253 HB3 ASP 32 1HB ASP 32 0.541 8.525 -6.417 254 H ALA 33 H ALA 33 -1.049 6.674 -6.118 255 HA ALA 33 HA ALA 33 -2.673 6.555 -8.424 256 HB1 ALA 33 3HB ALA 33 -0.882 4.941 -7.929 257 HB2 ALA 33 1HB ALA 33 -2.416 4.143 -8.286 258 HB3 ALA 33 2HB ALA 33 -1.856 4.276 -6.617 259 H ALA 34 H ALA 34 -3.443 6.149 -5.031 260 HA ALA 34 HA ALA 34 -6.151 5.210 -5.627 261 HB1 ALA 34 3HB ALA 34 -4.895 4.172 -3.783 262 HB2 ALA 34 1HB ALA 34 -6.394 4.920 -3.229 263 HB3 ALA 34 2HB ALA 34 -4.849 5.727 -2.952 264 H GLY 35 H GLY 35 -4.513 8.156 -4.747 265 HA2 GLY 35 2HA GLY 35 -5.338 10.326 -4.666 266 HA3 GLY 35 1HA GLY 35 -6.953 9.698 -4.958 267 H LEU 36 H LEU 36 -4.863 8.604 -2.357 268 HA LEU 36 HA LEU 36 -6.750 9.760 -0.396 269 HB2 LEU 36 2HB LEU 36 -5.125 7.217 -0.195 270 HB3 LEU 36 1HB LEU 36 -6.173 7.849 1.061 271 HG LEU 36 HG LEU 36 -7.085 6.893 -1.665 272 HD11 LEU 36 1HD1 LEU 36 -7.373 5.614 1.057 273 HD12 LEU 36 2HD1 LEU 36 -6.343 5.048 -0.259 274 HD13 LEU 36 3HD1 LEU 36 -8.097 5.029 -0.442 275 HD21 LEU 36 3HD2 LEU 36 -8.507 8.684 -0.809 276 HD22 LEU 36 1HD2 LEU 36 -8.690 7.824 0.722 277 HD23 LEU 36 2HD2 LEU 36 -9.353 7.136 -0.762 278 H SER 37 H SER 37 -5.722 9.957 1.864 279 HA SER 37 HA SER 37 -3.290 11.534 1.560 280 HB2 SER 37 2HB SER 37 -5.136 12.499 2.847 281 HB3 SER 37 1HB SER 37 -5.071 11.146 3.979 282 HG SER 37 HG SER 37 -3.908 13.167 4.563 283 H ILE 38 H ILE 38 -1.451 11.315 2.960 284 HA ILE 38 HA ILE 38 -0.393 8.732 2.816 285 HB ILE 38 HB ILE 38 0.645 11.024 4.496 286 HG12 ILE 38 2HG1 ILE 38 0.342 11.713 2.174 287 HG13 ILE 38 1HG1 ILE 38 2.058 11.539 2.527 288 HG21 ILE 38 1HG2 ILE 38 1.702 8.924 5.107 289 HG22 ILE 38 2HG2 ILE 38 2.842 9.934 4.214 290 HG23 ILE 38 3HG2 ILE 38 2.050 8.576 3.410 291 HD11 ILE 38 3HD1 ILE 38 1.516 10.662 0.338 292 HD12 ILE 38 1HD1 ILE 38 0.344 9.552 1.050 293 HD13 ILE 38 2HD1 ILE 38 2.064 9.369 1.405 294 H TYR 39 H TYR 39 -1.490 10.510 5.727 295 HA TYR 39 HA TYR 39 -0.629 8.650 7.615 296 HB2 TYR 39 2HB TYR 39 -2.075 9.709 9.203 297 HB3 TYR 39 1HB TYR 39 -1.441 10.954 8.141 298 HD1 TYR 39 HD1 TYR 39 -2.924 12.070 6.508 299 HD2 TYR 39 HD2 TYR 39 -4.442 9.204 9.269 300 HE1 TYR 39 HE1 TYR 39 -5.206 12.873 6.084 301 HE2 TYR 39 HE2 TYR 39 -6.729 10.000 8.844 302 HH TYR 39 HH TYR 39 -7.526 12.046 6.255 303 H GLN 40 H GLN 40 -3.641 8.718 5.776 304 HA GLN 40 HA GLN 40 -4.841 6.539 7.214 305 HB2 GLN 40 2HB GLN 40 -6.173 8.287 6.087 306 HB3 GLN 40 1HB GLN 40 -5.568 7.739 4.529 307 HG2 GLN 40 2HG GLN 40 -6.704 5.639 4.753 308 HG3 GLN 40 1HG GLN 40 -7.169 6.012 6.414 309 HE21 GLN 40 1HE2 GLN 40 -8.797 7.529 6.778 310 HE22 GLN 40 2HE2 GLN 40 -9.899 8.001 5.536 311 H VAL 41 H VAL 41 -3.315 6.877 4.014 312 HA VAL 41 HA VAL 41 -3.583 4.258 3.110 313 HB VAL 41 HB VAL 41 -1.314 6.198 2.602 314 HG11 VAL 41 1HG1 VAL 41 -0.853 4.861 0.582 315 HG12 VAL 41 2HG1 VAL 41 -2.046 3.671 1.105 316 HG13 VAL 41 3HG1 VAL 41 -0.586 3.941 2.063 317 HG21 VAL 41 3HG2 VAL 41 -2.515 6.683 0.514 318 HG22 VAL 41 1HG2 VAL 41 -3.501 7.051 1.928 319 HG23 VAL 41 2HG2 VAL 41 -3.804 5.582 1.001 320 H ARG 42 H ARG 42 -0.891 5.651 5.029 321 HA ARG 42 HA ARG 42 0.594 3.246 5.142 322 HB2 ARG 42 2HB ARG 42 1.925 4.280 6.881 323 HB3 ARG 42 1HB ARG 42 1.609 5.437 5.597 324 HG2 ARG 42 2HG ARG 42 0.110 6.670 6.908 325 HG3 ARG 42 1HG ARG 42 -0.089 5.357 8.072 326 HD2 ARG 42 2HD ARG 42 2.459 6.923 7.642 327 HD3 ARG 42 1HD ARG 42 1.297 7.210 8.938 328 HE ARG 42 HE ARG 42 2.570 4.574 8.680 329 HH11 ARG 42 1HH1 ARG 42 2.127 7.487 10.462 330 HH12 ARG 42 2HH1 ARG 42 2.797 6.826 11.910 331 HH21 ARG 42 1HH2 ARG 42 3.423 3.742 10.551 332 HH22 ARG 42 2HH2 ARG 42 3.534 4.741 11.955 333 H LEU 43 H LEU 43 -2.055 4.437 7.156 334 HA LEU 43 HA LEU 43 -1.766 2.675 9.323 335 HB2 LEU 43 2HB LEU 43 -4.211 3.916 8.074 336 HB3 LEU 43 1HB LEU 43 -4.319 2.880 9.483 337 HG LEU 43 HG LEU 43 -2.754 5.466 9.351 338 HD11 LEU 43 1HD1 LEU 43 -4.499 6.388 10.781 339 HD12 LEU 43 2HD1 LEU 43 -5.393 4.871 10.688 340 HD13 LEU 43 3HD1 LEU 43 -5.169 5.851 9.240 341 HD21 LEU 43 3HD2 LEU 43 -2.541 5.209 11.775 342 HD22 LEU 43 1HD2 LEU 43 -1.784 3.864 10.918 343 HD23 LEU 43 2HD2 LEU 43 -3.359 3.647 11.686 344 H TYR 44 H TYR 44 -3.616 2.268 6.295 345 HA TYR 44 HA TYR 44 -4.412 -0.399 6.757 346 HB2 TYR 44 2HB TYR 44 -3.918 1.065 4.150 347 HB3 TYR 44 1HB TYR 44 -4.655 -0.531 4.253 348 HD1 TYR 44 HD1 TYR 44 -6.783 -0.710 5.765 349 HD2 TYR 44 HD2 TYR 44 -5.297 2.955 4.187 350 HE1 TYR 44 HE1 TYR 44 -9.002 0.307 6.052 351 HE2 TYR 44 HE2 TYR 44 -7.513 3.981 4.471 352 HH TYR 44 HH TYR 44 -9.981 2.572 6.307 353 H LEU 45 H LEU 45 -1.627 0.834 4.885 354 HA LEU 45 HA LEU 45 -0.524 -1.595 4.090 355 HB2 LEU 45 2HB LEU 45 0.905 0.977 4.784 356 HB3 LEU 45 1HB LEU 45 1.613 -0.349 3.882 357 HG LEU 45 HG LEU 45 -0.780 1.258 2.963 358 HD11 LEU 45 1HD1 LEU 45 0.764 2.286 1.366 359 HD12 LEU 45 2HD1 LEU 45 2.112 1.432 2.118 360 HD13 LEU 45 3HD1 LEU 45 1.216 2.645 3.032 361 HD21 LEU 45 3HD2 LEU 45 0.930 -0.761 1.503 362 HD22 LEU 45 1HD2 LEU 45 -0.414 0.155 0.821 363 HD23 LEU 45 2HD2 LEU 45 -0.711 -1.035 2.087 364 H GLU 46 H GLU 46 0.228 0.282 7.008 365 HA GLU 46 HA GLU 46 2.306 -1.382 7.933 366 HB2 GLU 46 2HB GLU 46 1.944 0.987 8.583 367 HB3 GLU 46 1HB GLU 46 0.551 0.491 9.530 368 HG2 GLU 46 2HG GLU 46 1.937 -0.763 11.032 369 HG3 GLU 46 1HG GLU 46 3.357 -0.489 10.019 370 H GLN 47 H GLN 47 -1.167 -1.304 8.755 371 HA GLN 47 HA GLN 47 -1.010 -3.400 10.683 372 HB2 GLN 47 2HB GLN 47 -3.372 -2.390 9.074 373 HB3 GLN 47 1HB GLN 47 -3.494 -3.549 10.392 374 HG2 GLN 47 2HG GLN 47 -2.499 -0.710 10.617 375 HG3 GLN 47 1HG GLN 47 -4.080 -1.302 11.124 376 HE21 GLN 47 1HE2 GLN 47 -1.978 -0.009 12.676 377 HE22 GLN 47 2HE2 GLN 47 -1.590 -1.098 13.957 378 H LEU 48 H LEU 48 -1.769 -3.365 7.199 379 HA LEU 48 HA LEU 48 -2.275 -6.108 6.885 380 HB2 LEU 48 2HB LEU 48 -1.107 -4.098 4.958 381 HB3 LEU 48 1HB LEU 48 -1.497 -5.745 4.498 382 HG LEU 48 HG LEU 48 -3.479 -3.688 5.501 383 HD11 LEU 48 1HD1 LEU 48 -4.335 -3.707 3.209 384 HD12 LEU 48 2HD1 LEU 48 -3.040 -4.805 2.729 385 HD13 LEU 48 3HD1 LEU 48 -2.655 -3.169 3.264 386 HD21 LEU 48 3HD2 LEU 48 -4.102 -5.975 6.134 387 HD22 LEU 48 1HD2 LEU 48 -3.941 -6.485 4.453 388 HD23 LEU 48 2HD2 LEU 48 -5.188 -5.324 4.908 389 H HIS 49 H HIS 49 0.784 -4.356 7.095 390 HA HIS 49 HA HIS 49 2.470 -6.547 6.471 391 HB2 HIS 49 2HB HIS 49 3.414 -4.319 6.518 392 HB3 HIS 49 1HB HIS 49 2.974 -4.118 8.212 393 HD1 HIS 49 HD1 HIS 49 4.553 -5.112 9.963 394 HD2 HIS 49 HD2 HIS 49 5.640 -6.032 6.067 395 HE1 HIS 49 HE1 HIS 49 6.812 -6.185 10.132 396 HE2 HIS 49 HE2 HIS 49 7.352 -6.909 7.785 397 H ASP 50 H ASP 50 1.224 -5.326 9.565 398 HA ASP 50 HA ASP 50 2.624 -7.073 11.245 399 HB2 ASP 50 2HB ASP 50 1.380 -4.960 11.882 400 HB3 ASP 50 1HB ASP 50 -0.105 -5.900 11.812 401 H VAL 51 H VAL 51 -0.428 -7.521 9.526 402 HA VAL 51 HA VAL 51 -0.944 -10.060 10.861 403 HB VAL 51 HB VAL 51 -2.995 -10.166 9.518 404 HG11 VAL 51 1HG1 VAL 51 -3.042 -8.970 11.640 405 HG12 VAL 51 2HG1 VAL 51 -4.119 -8.199 10.476 406 HG13 VAL 51 3HG1 VAL 51 -2.549 -7.482 10.835 407 HG21 VAL 51 3HG2 VAL 51 -2.159 -9.108 7.472 408 HG22 VAL 51 1HG2 VAL 51 -2.060 -7.558 8.305 409 HG23 VAL 51 2HG2 VAL 51 -3.629 -8.319 8.040 410 H GLY 52 H GLY 52 1.085 -9.238 8.387 411 HA2 GLY 52 2HA GLY 52 2.439 -10.797 7.268 412 HA3 GLY 52 1HA GLY 52 1.250 -12.041 7.593 413 H VAL 53 H VAL 53 0.024 -9.153 6.147 414 HA VAL 53 HA VAL 53 -0.397 -10.534 3.611 415 HB VAL 53 HB VAL 53 -1.320 -7.810 4.574 416 HG11 VAL 53 1HG1 VAL 53 -1.059 -7.820 2.135 417 HG12 VAL 53 2HG1 VAL 53 -2.758 -7.747 2.596 418 HG13 VAL 53 3HG1 VAL 53 -2.065 -9.266 2.028 419 HG21 VAL 53 3HG2 VAL 53 -3.536 -8.865 4.692 420 HG22 VAL 53 1HG2 VAL 53 -2.375 -9.675 5.744 421 HG23 VAL 53 2HG2 VAL 53 -2.828 -10.404 4.204 422 H LEU 54 H LEU 54 1.160 -7.536 4.747 423 HA LEU 54 HA LEU 54 2.649 -7.393 2.192 424 HB2 LEU 54 2HB LEU 54 1.983 -5.149 4.109 425 HB3 LEU 54 1HB LEU 54 2.880 -4.980 2.613 426 HG LEU 54 HG LEU 54 -0.027 -5.793 2.831 427 HD11 LEU 54 1HD1 LEU 54 1.220 -3.194 1.929 428 HD12 LEU 54 2HD1 LEU 54 0.326 -3.456 3.428 429 HD13 LEU 54 3HD1 LEU 54 -0.498 -3.595 1.876 430 HD21 LEU 54 3HD2 LEU 54 1.033 -6.799 0.888 431 HD22 LEU 54 1HD2 LEU 54 1.677 -5.230 0.401 432 HD23 LEU 54 2HD2 LEU 54 -0.064 -5.511 0.394 433 H GLU 55 H GLU 55 4.875 -6.869 2.258 434 HA GLU 55 HA GLU 55 6.173 -7.147 4.892 435 HB2 GLU 55 2HB GLU 55 6.791 -8.863 3.210 436 HB3 GLU 55 1HB GLU 55 7.357 -7.593 2.134 437 HG2 GLU 55 2HG GLU 55 9.229 -8.637 3.250 438 HG3 GLU 55 1HG GLU 55 9.064 -6.962 3.781 439 H LYS 56 H LYS 56 7.913 -5.704 5.433 440 HA LYS 56 HA LYS 56 7.626 -3.094 4.114 441 HB2 LYS 56 2HB LYS 56 8.668 -2.162 6.185 442 HB3 LYS 56 1HB LYS 56 7.145 -2.987 6.455 443 HG2 LYS 56 2HG LYS 56 8.374 -3.761 8.231 444 HG3 LYS 56 1HG LYS 56 8.675 -5.033 7.049 445 HD2 LYS 56 2HD LYS 56 10.748 -4.418 8.150 446 HD3 LYS 56 1HD LYS 56 10.813 -3.939 6.453 447 HE2 LYS 56 2HE LYS 56 10.171 -1.629 7.145 448 HE3 LYS 56 1HE LYS 56 10.275 -2.151 8.826 449 HZ1 LYS 56 3HZ LYS 56 12.602 -2.680 8.480 450 HZ2 LYS 56 1HZ LYS 56 12.296 -1.060 8.113 451 HZ3 LYS 56 2HZ LYS 56 12.501 -2.179 6.869 452 H VAL 57 H VAL 57 9.311 -2.000 3.216 453 HA VAL 57 HA VAL 57 11.902 -3.415 3.067 454 HB VAL 57 HB VAL 57 10.534 -1.839 0.867 455 HG11 VAL 57 1HG1 VAL 57 12.396 -2.610 -0.556 456 HG12 VAL 57 2HG1 VAL 57 13.183 -3.288 0.870 457 HG13 VAL 57 3HG1 VAL 57 12.934 -1.547 0.744 458 HG21 VAL 57 3HG2 VAL 57 9.491 -4.012 1.212 459 HG22 VAL 57 1HG2 VAL 57 11.064 -4.805 1.116 460 HG23 VAL 57 2HG2 VAL 57 10.394 -3.998 -0.301 461 H ASN 58 H ASN 58 13.684 -2.270 3.547 462 HA ASN 58 HA ASN 58 13.786 0.608 3.170 463 HB2 ASN 58 2HB ASN 58 12.825 0.338 5.462 464 HB3 ASN 58 1HB ASN 58 14.263 -0.564 5.931 465 HD21 ASN 58 1HD2 ASN 58 12.999 2.554 5.055 466 HD22 ASN 58 2HD2 ASN 58 14.340 3.475 5.631 467 H ALA 59 H ALA 59 15.522 0.567 1.859 468 HA ALA 59 HA ALA 59 17.517 -1.384 1.814 469 HB1 ALA 59 3HB ALA 59 18.674 0.039 0.229 470 HB2 ALA 59 1HB ALA 59 17.694 1.422 0.720 471 HB3 ALA 59 2HB ALA 59 16.940 0.051 -0.092 472 H GLY 60 H GLY 60 17.386 1.577 3.693 473 HA2 GLY 60 2HA GLY 60 19.493 0.825 5.392 474 HA3 GLY 60 1HA GLY 60 20.141 1.919 4.181 475 H LYS 61 H LYS 61 20.244 2.572 6.849 476 HA LYS 61 HA LYS 61 18.092 4.102 7.823 477 HB2 LYS 61 2HB LYS 61 21.056 4.381 8.384 478 HB3 LYS 61 1HB LYS 61 19.780 5.139 9.328 479 HG2 LYS 61 2HG LYS 61 20.200 2.168 8.997 480 HG3 LYS 61 1HG LYS 61 20.644 3.124 10.413 481 HD2 LYS 61 2HD LYS 61 18.287 3.687 10.777 482 HD3 LYS 61 1HD LYS 61 17.836 2.761 9.344 483 HE2 LYS 61 2HE LYS 61 18.683 0.715 10.396 484 HE3 LYS 61 1HE LYS 61 19.147 1.638 11.826 485 HZ1 LYS 61 3HZ LYS 61 17.024 0.494 12.102 486 HZ2 LYS 61 1HZ LYS 61 16.373 1.357 10.802 487 HZ3 LYS 61 2HZ LYS 61 16.839 2.170 12.211 488 H GLY 62 H GLY 62 17.211 5.543 6.435 489 HA2 GLY 62 2HA GLY 62 17.720 8.090 6.116 490 HA3 GLY 62 1HA GLY 62 18.931 7.457 5.013 491 H VAL 63 H VAL 63 17.195 5.228 4.134 492 HA VAL 63 HA VAL 63 15.735 6.669 2.092 493 HB VAL 63 HB VAL 63 15.302 4.521 1.077 494 HG11 VAL 63 1HG1 VAL 63 18.125 4.651 2.146 495 HG12 VAL 63 2HG1 VAL 63 17.509 5.472 0.713 496 HG13 VAL 63 3HG1 VAL 63 17.597 3.711 0.750 497 HG21 VAL 63 3HG2 VAL 63 16.437 3.274 3.584 498 HG22 VAL 63 1HG2 VAL 63 15.998 2.406 2.113 499 HG23 VAL 63 2HG2 VAL 63 14.754 3.218 3.063 500 HA PRO 64 HA PRO 64 11.687 6.641 3.863 501 HB2 PRO 64 2HB PRO 64 10.073 6.105 1.727 502 HB3 PRO 64 1HB PRO 64 10.905 7.648 1.952 503 HG2 PRO 64 2HG PRO 64 11.709 5.300 0.260 504 HG3 PRO 64 1HG PRO 64 11.708 7.026 -0.154 505 HD2 PRO 64 2HD PRO 64 13.969 5.755 0.567 506 HD3 PRO 64 1HD PRO 64 13.663 7.442 1.026 507 H GLY 65 H GLY 65 9.727 5.374 4.298 508 HA2 GLY 65 2HA GLY 65 10.280 2.560 4.642 509 HA3 GLY 65 1HA GLY 65 8.835 3.416 5.160 510 H LEU 66 H LEU 66 10.287 1.500 2.690 511 HA LEU 66 HA LEU 66 8.089 1.848 0.812 512 HB2 LEU 66 2HB LEU 66 10.470 -0.009 0.674 513 HB3 LEU 66 1HB LEU 66 9.366 0.360 -0.639 514 HG LEU 66 HG LEU 66 11.262 2.315 0.676 515 HD11 LEU 66 1HD1 LEU 66 11.346 1.041 -2.059 516 HD12 LEU 66 2HD1 LEU 66 12.433 0.701 -0.713 517 HD13 LEU 66 3HD1 LEU 66 12.440 2.294 -1.468 518 HD21 LEU 66 3HD2 LEU 66 9.229 3.435 -0.059 519 HD22 LEU 66 1HD2 LEU 66 9.384 2.707 -1.660 520 HD23 LEU 66 2HD2 LEU 66 10.587 3.869 -1.096 521 H TRP 67 H TRP 67 7.036 -0.136 -0.123 522 HA TRP 67 HA TRP 67 6.612 -2.239 1.904 523 HB2 TRP 67 2HB TRP 67 4.414 -0.888 0.310 524 HB3 TRP 67 1HB TRP 67 4.201 -2.181 1.485 525 HD1 TRP 67 HD1 TRP 67 4.628 1.567 1.210 526 HE1 TRP 67 HE1 TRP 67 4.373 2.630 3.535 527 HE3 TRP 67 HE3 TRP 67 4.636 -2.686 4.059 528 HZ2 TRP 67 HZ2 TRP 67 4.194 1.785 6.221 529 HZ3 TRP 67 HZ3 TRP 67 4.426 -2.465 6.502 530 HH2 TRP 67 HH2 TRP 67 4.211 -0.274 7.559 531 H ARG 68 H ARG 68 5.859 -4.267 1.082 532 HA ARG 68 HA ARG 68 5.515 -4.737 -1.723 533 HB2 ARG 68 2HB ARG 68 7.911 -4.515 -1.801 534 HB3 ARG 68 1HB ARG 68 8.112 -5.559 -0.400 535 HG2 ARG 68 2HG ARG 68 7.378 -7.477 -1.673 536 HG3 ARG 68 1HG ARG 68 7.028 -6.455 -3.069 537 HD2 ARG 68 2HD ARG 68 9.356 -5.940 -3.358 538 HD3 ARG 68 1HD ARG 68 9.769 -6.731 -1.836 539 HE ARG 68 HE ARG 68 9.507 -8.812 -2.850 540 HH11 ARG 68 1HH1 ARG 68 8.833 -6.268 -5.082 541 HH12 ARG 68 2HH1 ARG 68 8.890 -7.314 -6.454 542 HH21 ARG 68 1HH2 ARG 68 9.592 -10.137 -4.634 543 HH22 ARG 68 2HH2 ARG 68 9.301 -9.472 -6.207 544 H LEU 69 H LEU 69 3.955 -6.275 -1.727 545 HA LEU 69 HA LEU 69 3.370 -7.898 0.509 546 HB2 LEU 69 2HB LEU 69 1.779 -9.075 -0.993 547 HB3 LEU 69 1HB LEU 69 1.602 -7.335 -0.985 548 HG LEU 69 HG LEU 69 3.011 -7.380 -3.159 549 HD11 LEU 69 1HD1 LEU 69 2.756 -9.442 -4.485 550 HD12 LEU 69 2HD1 LEU 69 2.117 -10.260 -3.061 551 HD13 LEU 69 3HD1 LEU 69 3.778 -9.674 -3.068 552 HD21 LEU 69 3HD2 LEU 69 0.996 -7.756 -4.507 553 HD22 LEU 69 1HD2 LEU 69 0.659 -6.773 -3.082 554 HD23 LEU 69 2HD2 LEU 69 0.196 -8.475 -3.107 555 H LEU 70 H LEU 70 3.406 -10.228 0.675 556 HA LEU 70 HA LEU 70 5.647 -11.466 -0.796 557 HB2 LEU 70 2HB LEU 70 6.290 -12.677 1.215 558 HB3 LEU 70 1HB LEU 70 6.352 -10.947 1.485 559 HG LEU 70 HG LEU 70 3.966 -12.573 2.363 560 HD11 LEU 70 1HD1 LEU 70 5.004 -12.750 4.584 561 HD12 LEU 70 2HD1 LEU 70 6.500 -12.076 3.937 562 HD13 LEU 70 3HD1 LEU 70 5.912 -13.637 3.361 563 HD21 LEU 70 3HD2 LEU 70 5.136 -9.945 3.305 564 HD22 LEU 70 1HD2 LEU 70 3.743 -10.757 4.020 565 HD23 LEU 70 2HD2 LEU 70 3.659 -10.158 2.367 566 H GLU 71 H GLU 71 2.541 -11.519 -0.846 567 HA GLU 71 HA GLU 71 2.328 -14.310 -1.550 568 HB2 GLU 71 2HB GLU 71 1.860 -14.486 0.825 569 HB3 GLU 71 1HB GLU 71 0.691 -13.177 0.734 570 HG2 GLU 71 2HG GLU 71 -0.812 -14.517 -0.564 571 HG3 GLU 71 1HG GLU 71 0.390 -15.795 -0.724 Start of MODEL 10 1 H1 MET 1 1H MET 1 -22.785 -3.873 1.652 2 H2 MET 1 2H MET 1 -23.596 -3.646 0.187 3 H3 MET 1 3H MET 1 -23.625 -2.431 1.363 4 HA MET 1 HA MET 1 -21.222 -3.379 -0.093 5 HB2 MET 1 2HB MET 1 -21.258 -1.221 -1.234 6 HB3 MET 1 1HB MET 1 -22.756 -2.095 -1.522 7 HG2 MET 1 2HG MET 1 -22.386 0.150 0.453 8 HG3 MET 1 1HG MET 1 -23.151 0.278 -1.132 9 HE1 MET 1 3HE MET 1 -26.153 0.632 1.381 10 HE2 MET 1 1HE MET 1 -25.266 1.394 0.059 11 HE3 MET 1 2HE MET 1 -24.506 1.206 1.640 12 H SER 2 H SER 2 -19.360 -1.907 0.194 13 HA SER 2 HA SER 2 -19.279 -0.136 2.464 14 HB2 SER 2 2HB SER 2 -17.593 -1.402 3.759 15 HB3 SER 2 1HB SER 2 -19.109 -2.292 3.644 16 HG SER 2 HG SER 2 -17.145 -3.536 3.232 17 H GLU 3 H GLU 3 -16.993 0.692 2.820 18 HA GLU 3 HA GLU 3 -15.896 1.467 0.316 19 HB2 GLU 3 2HB GLU 3 -15.854 2.904 2.333 20 HB3 GLU 3 1HB GLU 3 -14.712 1.800 3.084 21 HG2 GLU 3 2HG GLU 3 -13.636 3.811 2.157 22 HG3 GLU 3 1HG GLU 3 -13.038 2.322 1.427 23 H SER 4 H SER 4 -14.974 -0.077 -0.916 24 HA SER 4 HA SER 4 -13.379 -2.222 0.192 25 HB2 SER 4 2HB SER 4 -14.881 -2.626 -1.713 26 HB3 SER 4 1HB SER 4 -13.961 -1.485 -2.692 27 HG SER 4 HG SER 4 -12.291 -2.876 -2.789 28 H ILE 5 H ILE 5 -12.370 0.603 0.391 29 HA ILE 5 HA ILE 5 -10.305 1.156 -1.384 30 HB ILE 5 HB ILE 5 -11.132 2.783 0.257 31 HG12 ILE 5 2HG1 ILE 5 -8.931 3.748 0.918 32 HG13 ILE 5 1HG1 ILE 5 -8.155 2.233 0.472 33 HG21 ILE 5 1HG2 ILE 5 -10.390 2.703 2.594 34 HG22 ILE 5 2HG2 ILE 5 -9.641 1.133 2.302 35 HG23 ILE 5 3HG2 ILE 5 -11.394 1.312 2.180 36 HD11 ILE 5 3HD1 ILE 5 -8.853 2.555 -1.843 37 HD12 ILE 5 1HD1 ILE 5 -7.899 3.918 -1.260 38 HD13 ILE 5 2HD1 ILE 5 -9.651 4.064 -1.393 39 H VAL 6 H VAL 6 -10.260 -0.946 1.467 40 HA VAL 6 HA VAL 6 -7.494 -1.318 1.713 41 HB VAL 6 HB VAL 6 -9.666 -3.357 2.272 42 HG11 VAL 6 1HG1 VAL 6 -8.053 -4.310 3.874 43 HG12 VAL 6 2HG1 VAL 6 -6.839 -3.152 3.329 44 HG13 VAL 6 3HG1 VAL 6 -7.453 -4.373 2.217 45 HG21 VAL 6 3HG2 VAL 6 -10.112 -1.269 3.439 46 HG22 VAL 6 1HG2 VAL 6 -8.463 -1.238 4.065 47 HG23 VAL 6 2HG2 VAL 6 -9.582 -2.498 4.588 48 H THR 7 H THR 7 -9.853 -3.292 -0.119 49 HA THR 7 HA THR 7 -8.009 -5.065 -1.292 50 HB THR 7 HB THR 7 -10.646 -4.109 -2.450 51 HG1 THR 7 HG1 THR 7 -10.970 -6.482 -1.467 52 HG21 THR 7 3HG2 THR 7 -10.643 -6.235 -3.684 53 HG22 THR 7 1HG2 THR 7 -9.044 -6.609 -3.043 54 HG23 THR 7 2HG2 THR 7 -9.260 -5.240 -4.132 55 H LYS 8 H LYS 8 -9.205 -1.904 -2.379 56 HA LYS 8 HA LYS 8 -7.973 -1.811 -4.892 57 HB2 LYS 8 2HB LYS 8 -9.630 -0.162 -4.250 58 HB3 LYS 8 1HB LYS 8 -8.604 0.419 -2.945 59 HG2 LYS 8 2HG LYS 8 -6.975 1.230 -4.576 60 HG3 LYS 8 1HG LYS 8 -7.990 0.637 -5.893 61 HD2 LYS 8 2HD LYS 8 -9.021 2.609 -3.863 62 HD3 LYS 8 1HD LYS 8 -8.123 3.135 -5.285 63 HE2 LYS 8 2HE LYS 8 -10.493 3.285 -5.723 64 HE3 LYS 8 1HE LYS 8 -9.790 2.021 -6.726 65 HZ1 LYS 8 3HZ LYS 8 -11.931 1.418 -5.709 66 HZ2 LYS 8 1HZ LYS 8 -11.226 1.527 -4.177 67 HZ3 LYS 8 2HZ LYS 8 -10.684 0.361 -5.277 68 H ILE 9 H ILE 9 -6.753 -0.680 -1.735 69 HA ILE 9 HA ILE 9 -4.265 0.272 -2.557 70 HB ILE 9 HB ILE 9 -5.081 -0.988 0.068 71 HG12 ILE 9 2HG1 ILE 9 -4.733 1.911 -0.760 72 HG13 ILE 9 1HG1 ILE 9 -6.272 1.083 -0.549 73 HG21 ILE 9 1HG2 ILE 9 -3.079 0.065 1.051 74 HG22 ILE 9 2HG2 ILE 9 -2.547 0.533 -0.565 75 HG23 ILE 9 3HG2 ILE 9 -2.666 -1.173 -0.135 76 HD11 ILE 9 3HD1 ILE 9 -5.748 2.496 1.352 77 HD12 ILE 9 1HD1 ILE 9 -4.248 1.609 1.617 78 HD13 ILE 9 2HD1 ILE 9 -5.802 0.799 1.822 79 H ILE 10 H ILE 10 -5.100 -3.014 -1.399 80 HA ILE 10 HA ILE 10 -2.573 -4.191 -1.742 81 HB ILE 10 HB ILE 10 -5.281 -5.512 -2.081 82 HG12 ILE 10 2HG1 ILE 10 -3.514 -5.258 0.374 83 HG13 ILE 10 1HG1 ILE 10 -5.014 -4.381 0.104 84 HG21 ILE 10 1HG2 ILE 10 -2.583 -6.742 -1.482 85 HG22 ILE 10 2HG2 ILE 10 -3.456 -6.864 -3.010 86 HG23 ILE 10 3HG2 ILE 10 -4.119 -7.608 -1.554 87 HD11 ILE 10 3HD1 ILE 10 -4.735 -7.363 0.408 88 HD12 ILE 10 1HD1 ILE 10 -6.243 -6.498 0.114 89 HD13 ILE 10 2HD1 ILE 10 -5.355 -6.238 1.617 90 H SER 11 H SER 11 -5.266 -3.851 -4.021 91 HA SER 11 HA SER 11 -4.179 -5.246 -6.205 92 HB2 SER 11 2HB SER 11 -6.552 -4.553 -6.032 93 HB3 SER 11 1HB SER 11 -6.070 -2.872 -6.248 94 HG SER 11 HG SER 11 -6.273 -4.933 -8.099 95 H ILE 12 H ILE 12 -3.863 -1.831 -5.270 96 HA ILE 12 HA ILE 12 -2.404 -0.919 -7.496 97 HB ILE 12 HB ILE 12 -2.260 0.011 -4.614 98 HG12 ILE 12 2HG1 ILE 12 -3.808 1.209 -6.929 99 HG13 ILE 12 1HG1 ILE 12 -4.515 0.094 -5.765 100 HG21 ILE 12 1HG2 ILE 12 -0.296 0.768 -5.826 101 HG22 ILE 12 2HG2 ILE 12 -1.382 2.129 -5.538 102 HG23 ILE 12 3HG2 ILE 12 -1.307 1.384 -7.137 103 HD11 ILE 12 3HD1 ILE 12 -3.361 2.807 -5.152 104 HD12 ILE 12 1HD1 ILE 12 -4.028 1.685 -3.965 105 HD13 ILE 12 2HD1 ILE 12 -5.070 2.376 -5.208 106 H VAL 13 H VAL 13 -1.219 -2.108 -4.342 107 HA VAL 13 HA VAL 13 1.526 -1.997 -4.875 108 HB VAL 13 HB VAL 13 0.094 -4.020 -3.127 109 HG11 VAL 13 1HG1 VAL 13 2.950 -3.037 -3.049 110 HG12 VAL 13 2HG1 VAL 13 2.419 -4.632 -3.584 111 HG13 VAL 13 3HG1 VAL 13 2.210 -4.151 -1.899 112 HG21 VAL 13 3HG2 VAL 13 -0.521 -1.715 -2.545 113 HG22 VAL 13 1HG2 VAL 13 1.186 -1.289 -2.409 114 HG23 VAL 13 2HG2 VAL 13 0.472 -2.450 -1.289 115 H GLN 14 H GLN 14 -0.706 -4.758 -5.228 116 HA GLN 14 HA GLN 14 1.034 -6.646 -6.283 117 HB2 GLN 14 2HB GLN 14 -1.275 -7.119 -5.575 118 HB3 GLN 14 1HB GLN 14 -1.891 -6.224 -6.956 119 HG2 GLN 14 2HG GLN 14 -0.947 -7.860 -8.481 120 HG3 GLN 14 1HG GLN 14 -0.215 -8.726 -7.130 121 HE21 GLN 14 1HE2 GLN 14 -1.338 -10.626 -7.630 122 HE22 GLN 14 2HE2 GLN 14 -3.030 -10.797 -7.321 123 H GLU 15 H GLU 15 -0.928 -4.248 -8.036 124 HA GLU 15 HA GLU 15 -0.170 -4.895 -10.643 125 HB2 GLU 15 2HB GLU 15 -2.003 -3.387 -10.216 126 HB3 GLU 15 1HB GLU 15 -0.933 -2.237 -9.424 127 HG2 GLU 15 2HG GLU 15 0.206 -1.816 -11.548 128 HG3 GLU 15 1HG GLU 15 -0.851 -2.978 -12.348 129 H ARG 16 H ARG 16 1.265 -2.413 -8.499 130 HA ARG 16 HA ARG 16 3.279 -1.644 -10.315 131 HB2 ARG 16 2HB ARG 16 3.198 -1.402 -7.303 132 HB3 ARG 16 1HB ARG 16 4.388 -0.613 -8.330 133 HG2 ARG 16 2HG ARG 16 1.409 -0.124 -8.284 134 HG3 ARG 16 1HG ARG 16 2.684 0.979 -7.762 135 HD2 ARG 16 2HD ARG 16 3.526 1.028 -10.105 136 HD3 ARG 16 1HD ARG 16 2.158 0.028 -10.585 137 HE ARG 16 HE ARG 16 1.810 2.706 -9.400 138 HH11 ARG 16 1HH1 ARG 16 1.071 0.383 -11.842 139 HH12 ARG 16 2HH1 ARG 16 -0.082 1.409 -12.615 140 HH21 ARG 16 1HH2 ARG 16 0.360 4.009 -10.422 141 HH22 ARG 16 2HH2 ARG 16 -0.486 3.430 -11.818 142 H GLN 17 H GLN 17 3.148 -4.313 -8.035 143 HA GLN 17 HA GLN 17 5.955 -4.919 -8.335 144 HB2 GLN 17 2HB GLN 17 3.686 -6.490 -7.110 145 HB3 GLN 17 1HB GLN 17 5.352 -7.064 -7.167 146 HG2 GLN 17 2HG GLN 17 6.036 -5.012 -5.933 147 HG3 GLN 17 1HG GLN 17 4.330 -4.603 -5.762 148 HE21 GLN 17 1HE2 GLN 17 5.599 -7.873 -5.580 149 HE22 GLN 17 2HE2 GLN 17 5.260 -8.095 -3.902 150 H ASN 18 H ASN 18 2.986 -5.897 -9.970 151 HA ASN 18 HA ASN 18 4.134 -7.960 -11.532 152 HB2 ASN 18 2HB ASN 18 1.882 -6.042 -12.206 153 HB3 ASN 18 1HB ASN 18 2.311 -7.449 -13.174 154 HD21 ASN 18 1HD2 ASN 18 -0.176 -6.836 -11.799 155 HD22 ASN 18 2HD2 ASN 18 -0.457 -8.162 -10.727 156 H MET 19 H MET 19 4.324 -4.494 -11.670 157 HA MET 19 HA MET 19 5.649 -4.372 -14.226 158 HB2 MET 19 2HB MET 19 5.581 -2.311 -12.006 159 HB3 MET 19 1HB MET 19 6.088 -2.029 -13.666 160 HG2 MET 19 2HG MET 19 3.316 -2.793 -12.768 161 HG3 MET 19 1HG MET 19 3.841 -1.190 -13.277 162 HE1 MET 19 3HE MET 19 4.627 -1.795 -17.089 163 HE2 MET 19 1HE MET 19 5.771 -1.927 -15.755 164 HE3 MET 19 2HE MET 19 4.598 -0.610 -15.783 165 H ASP 20 H ASP 20 6.828 -3.772 -10.885 166 HA ASP 20 HA ASP 20 9.589 -4.050 -11.818 167 HB2 ASP 20 2HB ASP 20 8.486 -3.163 -9.141 168 HB3 ASP 20 1HB ASP 20 10.189 -3.160 -9.584 169 H ASP 21 H ASP 21 7.620 -5.343 -9.126 170 HA ASP 21 HA ASP 21 7.692 -7.245 -7.907 171 HB2 ASP 21 2HB ASP 21 7.704 -8.429 -10.067 172 HB3 ASP 21 1HB ASP 21 9.462 -8.334 -10.110 173 H GLY 22 H GLY 22 11.021 -7.208 -9.255 174 HA2 GLY 22 2HA GLY 22 12.308 -7.857 -6.849 175 HA3 GLY 22 1HA GLY 22 13.069 -7.053 -8.214 176 H ALA 23 H ALA 23 11.408 -4.708 -8.156 177 HA ALA 23 HA ALA 23 12.562 -3.346 -5.831 178 HB1 ALA 23 3HB ALA 23 12.987 -2.395 -8.052 179 HB2 ALA 23 1HB ALA 23 12.079 -1.278 -7.034 180 HB3 ALA 23 2HB ALA 23 11.254 -2.189 -8.297 181 HA PRO 24 HA PRO 24 8.569 -3.437 -3.815 182 HB2 PRO 24 2HB PRO 24 9.101 -1.652 -1.823 183 HB3 PRO 24 1HB PRO 24 9.712 -3.310 -1.826 184 HG2 PRO 24 2HG PRO 24 11.108 -0.780 -2.639 185 HG3 PRO 24 1HG PRO 24 11.715 -2.126 -1.656 186 HD2 PRO 24 2HD PRO 24 12.333 -1.862 -4.275 187 HD3 PRO 24 1HD PRO 24 12.139 -3.449 -3.503 188 H VAL 25 H VAL 25 6.780 -1.992 -3.244 189 HA VAL 25 HA VAL 25 6.502 0.179 -5.159 190 HB VAL 25 HB VAL 25 4.481 -0.829 -3.137 191 HG11 VAL 25 1HG1 VAL 25 2.823 0.200 -4.632 192 HG12 VAL 25 2HG1 VAL 25 4.126 0.809 -5.653 193 HG13 VAL 25 3HG1 VAL 25 3.960 1.390 -3.995 194 HG21 VAL 25 3HG2 VAL 25 5.162 -2.660 -4.591 195 HG22 VAL 25 1HG2 VAL 25 4.878 -1.661 -6.019 196 HG23 VAL 25 2HG2 VAL 25 3.524 -2.142 -4.992 197 H LYS 26 H LYS 26 6.043 2.348 -4.611 198 HA LYS 26 HA LYS 26 7.280 3.170 -2.101 199 HB2 LYS 26 2HB LYS 26 6.322 4.999 -4.311 200 HB3 LYS 26 1HB LYS 26 7.482 5.355 -3.043 201 HG2 LYS 26 2HG LYS 26 8.824 5.095 -4.910 202 HG3 LYS 26 1HG LYS 26 8.925 3.507 -4.147 203 HD2 LYS 26 2HD LYS 26 7.412 2.554 -5.721 204 HD3 LYS 26 1HD LYS 26 6.936 4.140 -6.329 205 HE2 LYS 26 2HE LYS 26 9.252 4.447 -7.184 206 HE3 LYS 26 1HE LYS 26 9.621 2.799 -6.674 207 HZ1 LYS 26 3HZ LYS 26 7.503 3.540 -8.614 208 HZ2 LYS 26 1HZ LYS 26 7.949 1.970 -8.175 209 HZ3 LYS 26 2HZ LYS 26 9.031 2.944 -9.032 210 H THR 27 H THR 27 6.253 4.286 -0.484 211 HA THR 27 HA THR 27 3.544 4.040 -0.009 212 HB THR 27 HB THR 27 5.447 6.141 1.062 213 HG1 THR 27 HG1 THR 27 6.100 4.321 2.001 214 HG21 THR 27 3HG2 THR 27 3.150 6.952 1.313 215 HG22 THR 27 1HG2 THR 27 3.824 6.489 2.876 216 HG23 THR 27 2HG2 THR 27 2.681 5.424 2.059 217 H ARG 28 H ARG 28 5.202 6.706 -1.663 218 HA ARG 28 HA ARG 28 2.988 8.450 -1.847 219 HB2 ARG 28 2HB ARG 28 5.552 8.190 -3.394 220 HB3 ARG 28 1HB ARG 28 4.312 9.307 -3.939 221 HG2 ARG 28 2HG ARG 28 5.933 10.488 -2.607 222 HG3 ARG 28 1HG ARG 28 4.394 10.440 -1.747 223 HD2 ARG 28 2HD ARG 28 5.237 8.565 -0.389 224 HD3 ARG 28 1HD ARG 28 6.781 8.661 -1.232 225 HE ARG 28 HE ARG 28 5.769 10.981 0.259 226 HH11 ARG 28 1HH1 ARG 28 8.194 8.593 -0.264 227 HH12 ARG 28 2HH1 ARG 28 9.281 9.292 0.886 228 HH21 ARG 28 1HH2 ARG 28 7.154 11.865 1.718 229 HH22 ARG 28 2HH2 ARG 28 8.697 11.129 2.001 230 H ASP 29 H ASP 29 4.216 6.033 -4.192 231 HA ASP 29 HA ASP 29 2.366 6.353 -6.220 232 HB2 ASP 29 2HB ASP 29 3.629 3.804 -5.178 233 HB3 ASP 29 1HB ASP 29 2.724 3.902 -6.686 234 H ILE 30 H ILE 30 2.090 4.194 -3.403 235 HA ILE 30 HA ILE 30 -0.450 3.151 -3.931 236 HB ILE 30 HB ILE 30 0.780 3.642 -1.208 237 HG12 ILE 30 2HG1 ILE 30 1.000 1.207 -3.005 238 HG13 ILE 30 1HG1 ILE 30 2.281 2.388 -2.749 239 HG21 ILE 30 1HG2 ILE 30 -1.590 3.091 -1.085 240 HG22 ILE 30 2HG2 ILE 30 -0.617 1.748 -0.491 241 HG23 ILE 30 3HG2 ILE 30 -1.335 1.670 -2.099 242 HD11 ILE 30 3HD1 ILE 30 2.642 0.386 -1.427 243 HD12 ILE 30 1HD1 ILE 30 1.079 0.604 -0.643 244 HD13 ILE 30 2HD1 ILE 30 2.366 1.781 -0.384 245 H ALA 31 H ALA 31 0.412 5.873 -1.772 246 HA ALA 31 HA ALA 31 -2.207 6.530 -0.985 247 HB1 ALA 31 3HB ALA 31 -0.186 7.287 0.188 248 HB2 ALA 31 1HB ALA 31 -1.267 8.627 -0.197 249 HB3 ALA 31 2HB ALA 31 0.188 8.361 -1.160 250 H ASP 32 H ASP 32 -0.210 7.851 -3.605 251 HA ASP 32 HA ASP 32 -2.013 9.837 -4.468 252 HB2 ASP 32 2HB ASP 32 0.376 9.838 -5.041 253 HB3 ASP 32 1HB ASP 32 0.156 8.385 -6.010 254 H ALA 33 H ALA 33 -1.597 6.446 -5.477 255 HA ALA 33 HA ALA 33 -3.522 6.576 -7.595 256 HB1 ALA 33 3HB ALA 33 -1.734 4.883 -7.527 257 HB2 ALA 33 1HB ALA 33 -3.335 4.153 -7.674 258 HB3 ALA 33 2HB ALA 33 -2.499 4.145 -6.118 259 H ALA 34 H ALA 34 -3.662 5.615 -4.192 260 HA ALA 34 HA ALA 34 -6.365 4.706 -4.228 261 HB1 ALA 34 3HB ALA 34 -6.203 4.748 -1.790 262 HB2 ALA 34 1HB ALA 34 -4.702 5.670 -1.893 263 HB3 ALA 34 2HB ALA 34 -4.764 4.015 -2.500 264 H GLY 35 H GLY 35 -4.854 7.845 -3.647 265 HA2 GLY 35 2HA GLY 35 -5.862 9.940 -3.889 266 HA3 GLY 35 1HA GLY 35 -7.434 9.164 -3.954 267 H LEU 36 H LEU 36 -5.259 8.408 -1.340 268 HA LEU 36 HA LEU 36 -7.014 9.917 0.504 269 HB2 LEU 36 2HB LEU 36 -5.459 7.370 0.995 270 HB3 LEU 36 1HB LEU 36 -6.387 8.226 2.210 271 HG LEU 36 HG LEU 36 -7.497 6.853 -0.248 272 HD11 LEU 36 1HD1 LEU 36 -6.782 5.307 1.496 273 HD12 LEU 36 2HD1 LEU 36 -8.542 5.344 1.377 274 HD13 LEU 36 3HD1 LEU 36 -7.726 6.194 2.692 275 HD21 LEU 36 3HD2 LEU 36 -9.706 7.406 0.679 276 HD22 LEU 36 1HD2 LEU 36 -8.793 8.854 0.258 277 HD23 LEU 36 2HD2 LEU 36 -8.932 8.358 1.947 278 H SER 37 H SER 37 -5.906 10.381 2.669 279 HA SER 37 HA SER 37 -3.556 11.950 2.224 280 HB2 SER 37 2HB SER 37 -4.898 11.157 4.827 281 HB3 SER 37 1HB SER 37 -3.661 12.403 4.654 282 HG SER 37 HG SER 37 -5.137 13.739 3.999 283 H ILE 38 H ILE 38 -1.449 11.662 3.002 284 HA ILE 38 HA ILE 38 -0.317 9.175 2.596 285 HB ILE 38 HB ILE 38 0.826 11.429 4.264 286 HG12 ILE 38 2HG1 ILE 38 0.190 12.143 1.988 287 HG13 ILE 38 1HG1 ILE 38 1.936 12.146 2.196 288 HG21 ILE 38 1HG2 ILE 38 2.040 9.351 4.648 289 HG22 ILE 38 2HG2 ILE 38 3.024 10.471 3.708 290 HG23 ILE 38 3HG2 ILE 38 2.226 9.118 2.909 291 HD11 ILE 38 3HD1 ILE 38 1.284 11.284 0.021 292 HD12 ILE 38 1HD1 ILE 38 0.339 10.011 0.795 293 HD13 ILE 38 2HD1 ILE 38 2.095 10.044 0.977 294 H TYR 39 H TYR 39 -0.672 10.738 5.811 295 HA TYR 39 HA TYR 39 0.234 8.623 7.354 296 HB2 TYR 39 2HB TYR 39 -1.047 9.638 9.235 297 HB3 TYR 39 1HB TYR 39 -0.080 10.798 8.337 298 HD1 TYR 39 HD2 TYR 39 -3.498 9.720 9.153 299 HD2 TYR 39 HD1 TYR 39 -1.140 12.542 7.003 300 HE1 TYR 39 HE2 TYR 39 -5.479 11.145 8.855 301 HE2 TYR 39 HE1 TYR 39 -3.115 13.973 6.708 302 HH TYR 39 HH TYR 39 -5.516 13.826 6.718 303 H GLN 40 H GLN 40 -3.056 9.168 6.145 304 HA GLN 40 HA GLN 40 -4.315 7.097 7.610 305 HB2 GLN 40 2HB GLN 40 -5.528 8.965 6.510 306 HB3 GLN 40 1HB GLN 40 -5.119 8.285 4.941 307 HG2 GLN 40 2HG GLN 40 -7.396 7.736 5.531 308 HG3 GLN 40 1HG GLN 40 -6.414 6.274 5.471 309 HE21 GLN 40 1HE2 GLN 40 -7.908 5.182 6.788 310 HE22 GLN 40 2HE2 GLN 40 -8.000 5.474 8.486 311 H VAL 41 H VAL 41 -3.030 7.202 4.286 312 HA VAL 41 HA VAL 41 -3.598 4.556 3.560 313 HB VAL 41 HB VAL 41 -1.249 6.249 2.663 314 HG11 VAL 41 1HG1 VAL 41 -1.216 4.829 0.668 315 HG12 VAL 41 2HG1 VAL 41 -2.521 3.845 1.334 316 HG13 VAL 41 3HG1 VAL 41 -0.943 3.872 2.125 317 HG21 VAL 41 3HG2 VAL 41 -3.381 7.371 2.286 318 HG22 VAL 41 1HG2 VAL 41 -4.014 5.936 1.478 319 HG23 VAL 41 2HG2 VAL 41 -2.683 6.842 0.753 320 H ARG 42 H ARG 42 -0.713 5.922 5.150 321 HA ARG 42 HA ARG 42 0.805 3.575 5.284 322 HB2 ARG 42 2HB ARG 42 0.741 5.934 7.173 323 HB3 ARG 42 1HB ARG 42 1.934 4.646 7.256 324 HG2 ARG 42 2HG ARG 42 2.522 5.227 4.853 325 HG3 ARG 42 1HG ARG 42 1.546 6.683 5.076 326 HD2 ARG 42 2HD ARG 42 3.928 7.115 5.492 327 HD3 ARG 42 1HD ARG 42 2.960 7.362 6.948 328 HE ARG 42 HE ARG 42 3.837 4.753 7.062 329 HH11 ARG 42 1HH1 ARG 42 5.322 7.866 6.988 330 HH12 ARG 42 2HH1 ARG 42 6.727 7.324 7.833 331 HH21 ARG 42 1HH2 ARG 42 5.597 4.085 8.150 332 HH22 ARG 42 2HH2 ARG 42 6.887 5.187 8.487 333 H LEU 43 H LEU 43 -1.809 4.706 7.379 334 HA LEU 43 HA LEU 43 -1.544 2.803 9.434 335 HB2 LEU 43 2HB LEU 43 -4.065 4.057 8.317 336 HB3 LEU 43 1HB LEU 43 -3.975 3.163 9.823 337 HG LEU 43 HG LEU 43 -2.565 5.777 9.238 338 HD11 LEU 43 1HD1 LEU 43 -4.969 6.067 9.504 339 HD12 LEU 43 2HD1 LEU 43 -4.106 6.721 10.894 340 HD13 LEU 43 3HD1 LEU 43 -4.926 5.165 11.019 341 HD21 LEU 43 3HD2 LEU 43 -1.959 5.746 11.619 342 HD22 LEU 43 1HD2 LEU 43 -1.247 4.392 10.743 343 HD23 LEU 43 2HD2 LEU 43 -2.654 4.134 11.773 344 H TYR 44 H TYR 44 -3.566 2.683 6.476 345 HA TYR 44 HA TYR 44 -4.470 0.041 6.745 346 HB2 TYR 44 2HB TYR 44 -3.879 1.624 4.230 347 HB3 TYR 44 1HB TYR 44 -4.696 0.067 4.231 348 HD1 TYR 44 HD1 TYR 44 -6.932 -0.133 5.391 349 HD2 TYR 44 HD2 TYR 44 -5.066 3.625 4.662 350 HE1 TYR 44 HE1 TYR 44 -9.092 0.997 5.703 351 HE2 TYR 44 HE2 TYR 44 -7.220 4.761 4.977 352 HH TYR 44 HH TYR 44 -9.572 4.302 4.896 353 H LEU 45 H LEU 45 -1.533 1.263 5.168 354 HA LEU 45 HA LEU 45 -0.600 -1.152 4.098 355 HB2 LEU 45 2HB LEU 45 0.959 1.256 5.041 356 HB3 LEU 45 1HB LEU 45 1.611 -0.022 4.032 357 HG LEU 45 HG LEU 45 -0.658 1.819 3.251 358 HD11 LEU 45 1HD1 LEU 45 2.223 1.809 2.352 359 HD12 LEU 45 2HD1 LEU 45 1.461 3.016 3.389 360 HD13 LEU 45 3HD1 LEU 45 0.938 2.838 1.714 361 HD21 LEU 45 3HD2 LEU 45 0.838 -0.258 1.652 362 HD22 LEU 45 1HD2 LEU 45 -0.373 0.856 1.018 363 HD23 LEU 45 2HD2 LEU 45 -0.837 -0.368 2.198 364 H GLU 46 H GLU 46 0.158 0.371 7.245 365 HA GLU 46 HA GLU 46 1.947 -1.670 8.084 366 HB2 GLU 46 2HB GLU 46 1.928 0.610 9.062 367 HB3 GLU 46 1HB GLU 46 0.374 0.262 9.809 368 HG2 GLU 46 2HG GLU 46 1.352 -1.438 11.198 369 HG3 GLU 46 1HG GLU 46 2.896 -1.298 10.361 370 H GLN 47 H GLN 47 -1.549 -1.203 8.561 371 HA GLN 47 HA GLN 47 -2.023 -3.403 10.244 372 HB2 GLN 47 2HB GLN 47 -3.800 -2.234 8.081 373 HB3 GLN 47 1HB GLN 47 -4.335 -3.394 9.291 374 HG2 GLN 47 2HG GLN 47 -3.798 -1.778 11.063 375 HG3 GLN 47 1HG GLN 47 -3.298 -0.616 9.838 376 HE21 GLN 47 1HE2 GLN 47 -5.389 -0.369 11.827 377 HE22 GLN 47 2HE2 GLN 47 -6.858 -0.101 10.960 378 H LEU 48 H LEU 48 -1.960 -3.223 6.681 379 HA LEU 48 HA LEU 48 -2.440 -5.944 6.166 380 HB2 LEU 48 2HB LEU 48 -0.884 -3.901 4.573 381 HB3 LEU 48 1HB LEU 48 -1.306 -5.495 3.974 382 HG LEU 48 HG LEU 48 -3.294 -3.360 4.787 383 HD11 LEU 48 1HD1 LEU 48 -2.484 -4.334 2.047 384 HD12 LEU 48 2HD1 LEU 48 -2.125 -2.753 2.743 385 HD13 LEU 48 3HD1 LEU 48 -3.793 -3.201 2.395 386 HD21 LEU 48 3HD2 LEU 48 -4.971 -4.853 3.815 387 HD22 LEU 48 1HD2 LEU 48 -4.140 -5.624 5.167 388 HD23 LEU 48 2HD2 LEU 48 -3.724 -6.064 3.509 389 H HIS 49 H HIS 49 0.560 -4.240 6.939 390 HA HIS 49 HA HIS 49 2.281 -6.488 6.554 391 HB2 HIS 49 2HB HIS 49 3.186 -4.211 6.617 392 HB3 HIS 49 1HB HIS 49 2.648 -4.020 8.282 393 HD1 HIS 49 HD1 HIS 49 4.321 -4.599 10.038 394 HD2 HIS 49 HD2 HIS 49 5.270 -6.317 6.376 395 HE1 HIS 49 HE1 HIS 49 6.570 -5.661 10.354 396 HE2 HIS 49 HE2 HIS 49 7.183 -6.578 8.091 397 H ASP 50 H ASP 50 0.210 -5.440 9.146 398 HA ASP 50 HA ASP 50 1.442 -7.065 11.180 399 HB2 ASP 50 2HB ASP 50 0.136 -4.859 11.483 400 HB3 ASP 50 1HB ASP 50 -1.314 -5.850 11.350 401 H VAL 51 H VAL 51 -1.498 -7.305 9.183 402 HA VAL 51 HA VAL 51 -2.341 -9.786 10.377 403 HB VAL 51 HB VAL 51 -4.074 -9.843 8.650 404 HG11 VAL 51 1HG1 VAL 51 -4.451 -8.455 10.623 405 HG12 VAL 51 2HG1 VAL 51 -5.223 -7.752 9.205 406 HG13 VAL 51 3HG1 VAL 51 -3.711 -7.077 9.811 407 HG21 VAL 51 3HG2 VAL 51 -2.652 -7.450 7.467 408 HG22 VAL 51 1HG2 VAL 51 -4.228 -8.054 6.957 409 HG23 VAL 51 2HG2 VAL 51 -2.789 -9.050 6.738 410 H GLY 52 H GLY 52 -0.265 -8.917 7.720 411 HA2 GLY 52 2HA GLY 52 1.360 -10.570 6.994 412 HA3 GLY 52 1HA GLY 52 0.114 -11.795 7.144 413 H VAL 53 H VAL 53 0.804 -8.790 5.369 414 HA VAL 53 HA VAL 53 0.028 -10.111 2.861 415 HB VAL 53 HB VAL 53 -1.016 -7.376 3.678 416 HG11 VAL 53 1HG1 VAL 53 -1.402 -8.918 1.104 417 HG12 VAL 53 2HG1 VAL 53 -0.449 -7.448 1.307 418 HG13 VAL 53 3HG1 VAL 53 -2.199 -7.399 1.520 419 HG21 VAL 53 3HG2 VAL 53 -3.250 -8.394 3.527 420 HG22 VAL 53 1HG2 VAL 53 -2.260 -9.177 4.760 421 HG23 VAL 53 2HG2 VAL 53 -2.511 -9.965 3.202 422 H LEU 54 H LEU 54 1.107 -6.930 4.104 423 HA LEU 54 HA LEU 54 3.014 -6.730 1.863 424 HB2 LEU 54 2HB LEU 54 2.044 -4.566 3.746 425 HB3 LEU 54 1HB LEU 54 3.083 -4.330 2.353 426 HG LEU 54 HG LEU 54 0.193 -5.228 2.255 427 HD11 LEU 54 1HD1 LEU 54 1.472 -2.582 1.572 428 HD12 LEU 54 2HD1 LEU 54 0.411 -2.911 2.945 429 HD13 LEU 54 3HD1 LEU 54 -0.219 -3.011 1.300 430 HD21 LEU 54 3HD2 LEU 54 1.473 -6.155 0.409 431 HD22 LEU 54 1HD2 LEU 54 2.128 -4.560 0.037 432 HD23 LEU 54 2HD2 LEU 54 0.403 -4.877 -0.166 433 H GLU 55 H GLU 55 5.196 -6.361 2.206 434 HA GLU 55 HA GLU 55 6.144 -6.370 4.997 435 HB2 GLU 55 2HB GLU 55 6.999 -8.222 3.617 436 HB3 GLU 55 1HB GLU 55 7.656 -7.071 2.462 437 HG2 GLU 55 2HG GLU 55 9.370 -7.985 3.951 438 HG3 GLU 55 1HG GLU 55 9.210 -6.238 4.117 439 H LYS 56 H LYS 56 7.510 -4.793 5.735 440 HA LYS 56 HA LYS 56 7.558 -2.312 4.199 441 HB2 LYS 56 2HB LYS 56 8.529 -1.407 6.415 442 HB3 LYS 56 1HB LYS 56 6.845 -1.909 6.391 443 HG2 LYS 56 2HG LYS 56 7.225 -3.760 7.702 444 HG3 LYS 56 1HG LYS 56 8.914 -3.893 7.219 445 HD2 LYS 56 2HD LYS 56 7.830 -1.682 8.973 446 HD3 LYS 56 1HD LYS 56 8.560 -3.166 9.590 447 HE2 LYS 56 2HE LYS 56 9.891 -1.058 7.881 448 HE3 LYS 56 1HE LYS 56 10.230 -1.421 9.573 449 HZ1 LYS 56 3HZ LYS 56 10.764 -3.164 7.230 450 HZ2 LYS 56 1HZ LYS 56 10.919 -3.677 8.834 451 HZ3 LYS 56 2HZ LYS 56 11.903 -2.433 8.239 452 H VAL 57 H VAL 57 9.168 -2.585 2.668 453 HA VAL 57 HA VAL 57 11.829 -3.427 3.377 454 HB VAL 57 HB VAL 57 10.910 -2.065 0.830 455 HG11 VAL 57 1HG1 VAL 57 12.910 -3.071 -0.171 456 HG12 VAL 57 2HG1 VAL 57 13.368 -3.733 1.400 457 HG13 VAL 57 3HG1 VAL 57 13.334 -1.984 1.154 458 HG21 VAL 57 3HG2 VAL 57 11.135 -5.015 1.459 459 HG22 VAL 57 1HG2 VAL 57 10.749 -4.325 -0.120 460 HG23 VAL 57 2HG2 VAL 57 9.637 -4.112 1.234 461 H ASN 58 H ASN 58 12.406 -2.022 5.025 462 HA ASN 58 HA ASN 58 14.054 0.094 4.635 463 HB2 ASN 58 2HB ASN 58 12.001 1.250 3.645 464 HB3 ASN 58 1HB ASN 58 11.302 1.221 5.258 465 HD21 ASN 58 1HD2 ASN 58 11.240 3.402 5.584 466 HD22 ASN 58 2HD2 ASN 58 12.653 4.388 5.695 467 H ALA 59 H ALA 59 14.132 1.569 6.783 468 HA ALA 59 HA ALA 59 13.814 0.027 9.147 469 HB1 ALA 59 3HB ALA 59 15.382 1.903 9.010 470 HB2 ALA 59 1HB ALA 59 14.245 2.131 10.342 471 HB3 ALA 59 2HB ALA 59 14.034 3.027 8.835 472 H GLY 60 H GLY 60 12.432 1.525 11.011 473 HA2 GLY 60 2HA GLY 60 9.745 1.975 9.917 474 HA3 GLY 60 1HA GLY 60 9.928 0.678 11.083 475 H LYS 61 H LYS 61 8.349 1.847 12.311 476 HA LYS 61 HA LYS 61 7.821 2.908 14.247 477 HB2 LYS 61 2HB LYS 61 10.185 2.261 14.893 478 HB3 LYS 61 1HB LYS 61 10.683 3.873 14.401 479 HG2 LYS 61 2HG LYS 61 9.138 4.824 16.094 480 HG3 LYS 61 1HG LYS 61 8.761 3.184 16.626 481 HD2 LYS 61 2HD LYS 61 11.486 4.500 16.681 482 HD3 LYS 61 1HD LYS 61 10.444 4.213 18.073 483 HE2 LYS 61 2HE LYS 61 11.638 2.073 16.307 484 HE3 LYS 61 1HE LYS 61 12.246 2.544 17.891 485 HZ1 LYS 61 3HZ LYS 61 10.859 0.554 17.973 486 HZ2 LYS 61 1HZ LYS 61 9.541 1.430 17.377 487 HZ3 LYS 61 2HZ LYS 61 10.198 1.808 18.888 488 H GLY 62 H GLY 62 8.356 4.383 11.446 489 HA2 GLY 62 2HA GLY 62 6.836 6.582 11.734 490 HA3 GLY 62 1HA GLY 62 8.367 7.159 12.359 491 H VAL 63 H VAL 63 10.127 5.911 10.579 492 HA VAL 63 HA VAL 63 10.259 7.727 8.473 493 HB VAL 63 HB VAL 63 11.955 6.267 7.464 494 HG11 VAL 63 1HG1 VAL 63 12.161 6.394 10.474 495 HG12 VAL 63 2HG1 VAL 63 12.604 7.674 9.345 496 HG13 VAL 63 3HG1 VAL 63 13.508 6.162 9.359 497 HG21 VAL 63 3HG2 VAL 63 12.491 4.084 8.495 498 HG22 VAL 63 1HG2 VAL 63 10.885 4.108 7.765 499 HG23 VAL 63 2HG2 VAL 63 11.060 4.233 9.516 500 HA PRO 64 HA PRO 64 7.332 6.777 5.399 501 HB2 PRO 64 2HB PRO 64 8.865 6.662 3.068 502 HB3 PRO 64 1HB PRO 64 8.243 8.134 3.822 503 HG2 PRO 64 2HG PRO 64 10.953 6.880 4.064 504 HG3 PRO 64 1HG PRO 64 10.522 8.592 3.894 505 HD2 PRO 64 2HD PRO 64 11.216 7.608 6.268 506 HD3 PRO 64 1HD PRO 64 9.882 8.777 6.139 507 H GLY 65 H GLY 65 10.107 4.995 4.008 508 HA2 GLY 65 2HA GLY 65 10.433 2.694 3.871 509 HA3 GLY 65 1HA GLY 65 8.890 2.445 4.667 510 H LEU 66 H LEU 66 10.042 1.116 2.313 511 HA LEU 66 HA LEU 66 7.938 1.760 0.341 512 HB2 LEU 66 2HB LEU 66 10.529 0.245 -0.014 513 HB3 LEU 66 1HB LEU 66 9.296 0.393 -1.250 514 HG LEU 66 HG LEU 66 9.626 2.934 -1.040 515 HD11 LEU 66 1HD1 LEU 66 12.156 2.014 0.320 516 HD12 LEU 66 2HD1 LEU 66 10.864 2.972 1.043 517 HD13 LEU 66 3HD1 LEU 66 11.837 3.650 -0.259 518 HD21 LEU 66 3HD2 LEU 66 11.845 1.216 -2.145 519 HD22 LEU 66 1HD2 LEU 66 11.533 2.897 -2.576 520 HD23 LEU 66 2HD2 LEU 66 10.348 1.651 -2.970 521 H TRP 67 H TRP 67 6.419 0.222 -0.168 522 HA TRP 67 HA TRP 67 6.371 -2.083 1.659 523 HB2 TRP 67 2HB TRP 67 4.066 -0.771 0.198 524 HB3 TRP 67 1HB TRP 67 3.950 -2.014 1.444 525 HD1 TRP 67 HD1 TRP 67 4.722 1.712 0.995 526 HE1 TRP 67 HE1 TRP 67 4.609 2.872 3.284 527 HE3 TRP 67 HE3 TRP 67 4.175 -2.417 3.968 528 HZ2 TRP 67 HZ2 TRP 67 4.324 2.138 5.994 529 HZ3 TRP 67 HZ3 TRP 67 3.988 -2.097 6.403 530 HH2 TRP 67 HH2 TRP 67 4.060 0.136 7.395 531 H ARG 68 H ARG 68 6.245 -4.118 0.968 532 HA ARG 68 HA ARG 68 5.707 -4.705 -1.857 533 HB2 ARG 68 2HB ARG 68 8.113 -4.489 -1.762 534 HB3 ARG 68 1HB ARG 68 8.199 -5.525 -0.344 535 HG2 ARG 68 2HG ARG 68 7.509 -7.436 -1.644 536 HG3 ARG 68 1HG ARG 68 7.279 -6.423 -3.073 537 HD2 ARG 68 2HD ARG 68 9.700 -5.870 -3.012 538 HD3 ARG 68 1HD ARG 68 9.887 -6.978 -1.650 539 HE ARG 68 HE ARG 68 8.703 -8.143 -4.014 540 HH11 ARG 68 1HH1 ARG 68 11.662 -7.486 -2.364 541 HH12 ARG 68 2HH1 ARG 68 12.492 -8.792 -3.131 542 HH21 ARG 68 1HH2 ARG 68 9.785 -9.781 -4.993 543 HH22 ARG 68 2HH2 ARG 68 11.448 -10.068 -4.615 544 H LEU 69 H LEU 69 4.089 -6.161 -1.833 545 HA LEU 69 HA LEU 69 3.473 -7.752 0.433 546 HB2 LEU 69 2HB LEU 69 1.771 -8.835 -1.001 547 HB3 LEU 69 1HB LEU 69 1.671 -7.090 -0.976 548 HG LEU 69 HG LEU 69 2.979 -7.188 -3.215 549 HD11 LEU 69 1HD1 LEU 69 3.610 -9.544 -3.143 550 HD12 LEU 69 2HD1 LEU 69 2.596 -9.205 -4.544 551 HD13 LEU 69 3HD1 LEU 69 1.908 -10.012 -3.134 552 HD21 LEU 69 3HD2 LEU 69 0.881 -7.463 -4.467 553 HD22 LEU 69 1HD2 LEU 69 0.682 -6.447 -3.037 554 HD23 LEU 69 2HD2 LEU 69 0.113 -8.118 -3.020 555 H LEU 70 H LEU 70 3.439 -10.007 0.645 556 HA LEU 70 HA LEU 70 5.293 -11.532 -1.043 557 HB2 LEU 70 2HB LEU 70 6.468 -12.430 0.902 558 HB3 LEU 70 1HB LEU 70 6.668 -10.693 0.782 559 HG LEU 70 HG LEU 70 4.655 -11.963 2.651 560 HD11 LEU 70 1HD1 LEU 70 6.280 -11.658 4.446 561 HD12 LEU 70 2HD1 LEU 70 7.486 -11.110 3.280 562 HD13 LEU 70 3HD1 LEU 70 6.897 -12.773 3.226 563 HD21 LEU 70 3HD2 LEU 70 4.218 -9.632 2.183 564 HD22 LEU 70 1HD2 LEU 70 5.893 -9.214 2.526 565 HD23 LEU 70 2HD2 LEU 70 4.845 -9.791 3.820 566 H GLU 71 H GLU 71 5.135 -13.873 -0.691 567 HA GLU 71 HA GLU 71 2.376 -14.635 -0.049 568 HB2 GLU 71 2HB GLU 71 3.668 -15.248 -2.227 569 HB3 GLU 71 1HB GLU 71 4.455 -16.469 -1.240 570 HG2 GLU 71 2HG GLU 71 1.464 -16.260 -1.521 571 HG3 GLU 71 1HG GLU 71 2.465 -17.219 -2.605 Start of MODEL 11 1 H1 MET 1 1H MET 1 -17.765 6.267 5.345 2 H2 MET 1 2H MET 1 -16.439 6.048 4.319 3 H3 MET 1 3H MET 1 -16.232 5.969 5.994 4 HA MET 1 HA MET 1 -17.599 3.988 6.111 5 HB2 MET 1 2HB MET 1 -17.720 4.359 3.109 6 HB3 MET 1 1HB MET 1 -18.157 2.862 3.917 7 HG2 MET 1 2HG MET 1 -19.965 3.974 5.073 8 HG3 MET 1 1HG MET 1 -19.493 5.522 4.370 9 HE1 MET 1 3HE MET 1 -20.679 1.846 3.477 10 HE2 MET 1 1HE MET 1 -19.296 2.133 2.421 11 HE3 MET 1 2HE MET 1 -20.915 2.000 1.737 12 H SER 2 H SER 2 -16.779 1.780 5.533 13 HA SER 2 HA SER 2 -13.903 1.750 5.154 14 HB2 SER 2 2HB SER 2 -15.903 -0.512 5.493 15 HB3 SER 2 1HB SER 2 -14.155 -0.726 5.418 16 HG SER 2 HG SER 2 -15.435 -0.404 7.574 17 H GLU 3 H GLU 3 -16.707 0.367 3.435 18 HA GLU 3 HA GLU 3 -17.201 0.214 1.229 19 HB2 GLU 3 2HB GLU 3 -16.558 2.643 1.445 20 HB3 GLU 3 1HB GLU 3 -14.972 2.213 0.826 21 HG2 GLU 3 2HG GLU 3 -15.964 1.470 -1.266 22 HG3 GLU 3 1HG GLU 3 -17.575 1.841 -0.644 23 H SER 4 H SER 4 -14.899 -1.444 2.387 24 HA SER 4 HA SER 4 -13.565 -3.152 1.682 25 HB2 SER 4 2HB SER 4 -14.809 -2.618 -1.035 26 HB3 SER 4 1HB SER 4 -13.877 -4.053 -0.603 27 HG SER 4 HG SER 4 -16.481 -3.358 0.037 28 H ILE 5 H ILE 5 -12.705 -0.243 1.426 29 HA ILE 5 HA ILE 5 -11.063 0.202 -0.774 30 HB ILE 5 HB ILE 5 -11.628 1.930 0.897 31 HG12 ILE 5 2HG1 ILE 5 -9.409 3.052 0.975 32 HG13 ILE 5 1HG1 ILE 5 -8.647 1.544 0.482 33 HG21 ILE 5 1HG2 ILE 5 -11.344 0.580 2.921 34 HG22 ILE 5 2HG2 ILE 5 -10.434 2.087 3.010 35 HG23 ILE 5 3HG2 ILE 5 -9.597 0.571 2.672 36 HD11 ILE 5 3HD1 ILE 5 -8.895 3.102 -1.377 37 HD12 ILE 5 1HD1 ILE 5 -10.643 3.110 -1.144 38 HD13 ILE 5 2HD1 ILE 5 -9.824 1.628 -1.643 39 H VAL 6 H VAL 6 -10.492 -1.834 1.989 40 HA VAL 6 HA VAL 6 -7.735 -2.093 2.033 41 HB VAL 6 HB VAL 6 -9.776 -4.287 2.481 42 HG11 VAL 6 1HG1 VAL 6 -8.044 -5.313 3.913 43 HG12 VAL 6 2HG1 VAL 6 -6.900 -4.077 3.391 44 HG13 VAL 6 3HG1 VAL 6 -7.552 -5.226 2.222 45 HG21 VAL 6 3HG2 VAL 6 -10.223 -2.340 3.879 46 HG22 VAL 6 1HG2 VAL 6 -8.549 -2.328 4.433 47 HG23 VAL 6 2HG2 VAL 6 -9.608 -3.671 4.861 48 H THR 7 H THR 7 -10.045 -4.009 0.071 49 HA THR 7 HA THR 7 -8.220 -5.669 -1.227 50 HB THR 7 HB THR 7 -10.778 -4.540 -2.406 51 HG1 THR 7 HG1 THR 7 -11.443 -6.799 -1.673 52 HG21 THR 7 3HG2 THR 7 -9.222 -7.035 -3.128 53 HG22 THR 7 1HG2 THR 7 -9.349 -5.574 -4.112 54 HG23 THR 7 2HG2 THR 7 -10.781 -6.558 -3.805 55 H LYS 8 H LYS 8 -9.387 -2.451 -2.228 56 HA LYS 8 HA LYS 8 -8.050 -2.223 -4.656 57 HB2 LYS 8 2HB LYS 8 -9.748 -0.619 -3.945 58 HB3 LYS 8 1HB LYS 8 -8.714 -0.064 -2.634 59 HG2 LYS 8 2HG LYS 8 -8.729 1.501 -4.524 60 HG3 LYS 8 1HG LYS 8 -7.119 0.838 -4.231 61 HD2 LYS 8 2HD LYS 8 -7.516 -0.813 -6.041 62 HD3 LYS 8 1HD LYS 8 -9.068 -0.040 -6.371 63 HE2 LYS 8 2HE LYS 8 -7.931 2.030 -6.955 64 HE3 LYS 8 1HE LYS 8 -6.373 1.316 -6.538 65 HZ1 LYS 8 3HZ LYS 8 -8.171 0.455 -8.738 66 HZ2 LYS 8 1HZ LYS 8 -6.740 -0.331 -8.302 67 HZ3 LYS 8 2HZ LYS 8 -6.691 1.246 -8.900 68 H ILE 9 H ILE 9 -6.933 -1.205 -1.428 69 HA ILE 9 HA ILE 9 -4.467 -0.132 -2.184 70 HB ILE 9 HB ILE 9 -5.205 -1.502 0.412 71 HG12 ILE 9 2HG1 ILE 9 -5.282 1.420 -0.404 72 HG13 ILE 9 1HG1 ILE 9 -6.683 0.380 -0.175 73 HG21 ILE 9 1HG2 ILE 9 -3.378 -0.185 1.409 74 HG22 ILE 9 2HG2 ILE 9 -2.924 0.383 -0.198 75 HG23 ILE 9 3HG2 ILE 9 -2.787 -1.329 0.203 76 HD11 ILE 9 3HD1 ILE 9 -6.361 1.858 1.714 77 HD12 ILE 9 1HD1 ILE 9 -4.735 1.222 1.962 78 HD13 ILE 9 2HD1 ILE 9 -6.137 0.176 2.196 79 H ILE 10 H ILE 10 -5.288 -3.479 -1.277 80 HA ILE 10 HA ILE 10 -2.693 -4.563 -1.441 81 HB ILE 10 HB ILE 10 -5.320 -5.942 -2.045 82 HG12 ILE 10 2HG1 ILE 10 -3.770 -5.777 0.557 83 HG13 ILE 10 1HG1 ILE 10 -5.231 -4.865 0.197 84 HG21 ILE 10 1HG2 ILE 10 -2.622 -7.104 -1.309 85 HG22 ILE 10 2HG2 ILE 10 -3.433 -7.240 -2.871 86 HG23 ILE 10 3HG2 ILE 10 -4.124 -8.020 -1.450 87 HD11 ILE 10 3HD1 ILE 10 -5.001 -7.859 0.431 88 HD12 ILE 10 1HD1 ILE 10 -6.470 -6.983 -0.007 89 HD13 ILE 10 2HD1 ILE 10 -5.753 -6.760 1.589 90 H SER 11 H SER 11 -5.248 -4.311 -3.925 91 HA SER 11 HA SER 11 -3.837 -5.472 -6.065 92 HB2 SER 11 2HB SER 11 -5.967 -3.314 -6.142 93 HB3 SER 11 1HB SER 11 -5.432 -4.260 -7.531 94 HG SER 11 HG SER 11 -6.264 -6.098 -6.584 95 H ILE 12 H ILE 12 -3.751 -2.208 -4.767 96 HA ILE 12 HA ILE 12 -2.316 -0.994 -6.896 97 HB ILE 12 HB ILE 12 -2.464 -0.247 -3.973 98 HG12 ILE 12 2HG1 ILE 12 -3.891 0.924 -6.379 99 HG13 ILE 12 1HG1 ILE 12 -4.611 -0.218 -5.251 100 HG21 ILE 12 1HG2 ILE 12 -0.457 0.716 -4.934 101 HG22 ILE 12 2HG2 ILE 12 -1.660 1.979 -4.684 102 HG23 ILE 12 3HG2 ILE 12 -1.377 1.341 -6.305 103 HD11 ILE 12 3HD1 ILE 12 -3.638 2.548 -4.596 104 HD12 ILE 12 1HD1 ILE 12 -4.323 1.399 -3.446 105 HD13 ILE 12 2HD1 ILE 12 -5.315 2.029 -4.760 106 H VAL 13 H VAL 13 -1.242 -2.564 -3.882 107 HA VAL 13 HA VAL 13 1.512 -2.084 -4.160 108 HB VAL 13 HB VAL 13 0.167 -4.492 -2.903 109 HG11 VAL 13 1HG1 VAL 13 2.959 -3.387 -2.532 110 HG12 VAL 13 2HG1 VAL 13 2.534 -4.914 -3.305 111 HG13 VAL 13 3HG1 VAL 13 2.243 -4.688 -1.581 112 HG21 VAL 13 3HG2 VAL 13 1.034 -1.862 -1.686 113 HG22 VAL 13 1HG2 VAL 13 0.403 -3.247 -0.795 114 HG23 VAL 13 2HG2 VAL 13 -0.628 -2.396 -1.943 115 H GLN 14 H GLN 14 -0.497 -4.743 -5.399 116 HA GLN 14 HA GLN 14 1.557 -6.136 -6.757 117 HB2 GLN 14 2HB GLN 14 -0.667 -7.097 -6.327 118 HB3 GLN 14 1HB GLN 14 -1.394 -5.924 -7.415 119 HG2 GLN 14 2HG GLN 14 -0.187 -6.897 -9.304 120 HG3 GLN 14 1HG GLN 14 0.593 -8.048 -8.214 121 HE21 GLN 14 1HE2 GLN 14 -0.270 -9.847 -9.220 122 HE22 GLN 14 2HE2 GLN 14 -1.939 -10.262 -9.104 123 H GLU 15 H GLU 15 -0.711 -3.636 -7.833 124 HA GLU 15 HA GLU 15 -0.090 -3.446 -10.516 125 HB2 GLU 15 2HB GLU 15 -1.970 -2.306 -9.369 126 HB3 GLU 15 1HB GLU 15 -0.828 -1.194 -8.629 127 HG2 GLU 15 2HG GLU 15 -1.838 -0.069 -10.459 128 HG3 GLU 15 1HG GLU 15 -0.176 -0.434 -10.916 129 H ARG 16 H ARG 16 1.320 -1.456 -7.894 130 HA ARG 16 HA ARG 16 3.080 -0.070 -9.633 131 HB2 ARG 16 2HB ARG 16 3.054 -0.322 -6.626 132 HB3 ARG 16 1HB ARG 16 4.161 0.729 -7.504 133 HG2 ARG 16 2HG ARG 16 1.155 0.906 -7.697 134 HG3 ARG 16 1HG ARG 16 2.141 1.876 -6.600 135 HD2 ARG 16 2HD ARG 16 3.244 2.962 -8.421 136 HD3 ARG 16 1HD ARG 16 2.559 1.834 -9.590 137 HE ARG 16 HE ARG 16 0.350 2.844 -8.966 138 HH11 ARG 16 1HH1 ARG 16 3.268 4.681 -8.649 139 HH12 ARG 16 2HH1 ARG 16 2.454 6.184 -8.893 140 HH21 ARG 16 1HH2 ARG 16 -0.650 4.757 -9.279 141 HH22 ARG 16 2HH2 ARG 16 0.246 6.235 -9.218 142 H GLN 17 H GLN 17 3.617 -2.922 -7.528 143 HA GLN 17 HA GLN 17 6.420 -3.030 -8.174 144 HB2 GLN 17 2HB GLN 17 6.523 -5.066 -6.978 145 HB3 GLN 17 1HB GLN 17 5.350 -4.078 -6.119 146 HG2 GLN 17 2HG GLN 17 3.524 -5.314 -7.137 147 HG3 GLN 17 1HG GLN 17 4.670 -6.269 -8.076 148 HE21 GLN 17 1HE2 GLN 17 5.144 -5.317 -4.734 149 HE22 GLN 17 2HE2 GLN 17 5.038 -6.909 -4.084 150 H ASN 18 H ASN 18 3.519 -4.101 -9.716 151 HA ASN 18 HA ASN 18 4.708 -5.932 -11.558 152 HB2 ASN 18 2HB ASN 18 2.263 -5.821 -11.024 153 HB3 ASN 18 1HB ASN 18 2.181 -4.282 -11.868 154 HD21 ASN 18 1HD2 ASN 18 0.564 -5.315 -13.147 155 HD22 ASN 18 2HD2 ASN 18 1.018 -6.341 -14.457 156 H MET 19 H MET 19 4.387 -2.458 -11.371 157 HA MET 19 HA MET 19 5.533 -1.973 -13.975 158 HB2 MET 19 2HB MET 19 4.882 -0.261 -11.595 159 HB3 MET 19 1HB MET 19 5.944 0.371 -12.847 160 HG2 MET 19 2HG MET 19 3.134 -0.631 -13.256 161 HG3 MET 19 1HG MET 19 3.644 1.057 -13.214 162 HE1 MET 19 3HE MET 19 2.844 0.651 -17.007 163 HE2 MET 19 1HE MET 19 2.583 1.614 -15.553 164 HE3 MET 19 2HE MET 19 1.949 -0.030 -15.648 165 H ASP 20 H ASP 20 6.802 -1.850 -10.627 166 HA ASP 20 HA ASP 20 9.539 -1.744 -11.684 167 HB2 ASP 20 2HB ASP 20 8.553 -1.471 -8.833 168 HB3 ASP 20 1HB ASP 20 10.220 -1.283 -9.362 169 H ASP 21 H ASP 21 9.636 -3.910 -12.437 170 HA ASP 21 HA ASP 21 8.968 -6.211 -11.023 171 HB2 ASP 21 2HB ASP 21 9.394 -6.276 -13.392 172 HB3 ASP 21 1HB ASP 21 11.060 -5.758 -13.161 173 H GLY 22 H GLY 22 11.954 -4.328 -10.921 174 HA2 GLY 22 2HA GLY 22 13.139 -6.310 -9.069 175 HA3 GLY 22 1HA GLY 22 14.053 -5.183 -10.052 176 H ALA 23 H ALA 23 11.259 -3.932 -8.448 177 HA ALA 23 HA ALA 23 12.648 -3.159 -6.029 178 HB1 ALA 23 3HB ALA 23 12.528 -0.751 -6.407 179 HB2 ALA 23 1HB ALA 23 11.922 -1.032 -8.040 180 HB3 ALA 23 2HB ALA 23 13.557 -1.535 -7.608 181 HA PRO 24 HA PRO 24 8.290 -3.796 -4.932 182 HB2 PRO 24 2HB PRO 24 8.863 -2.868 -2.296 183 HB3 PRO 24 1HB PRO 24 8.671 -4.536 -2.838 184 HG2 PRO 24 2HG PRO 24 11.138 -2.982 -2.358 185 HG3 PRO 24 1HG PRO 24 10.879 -4.731 -2.297 186 HD2 PRO 24 2HD PRO 24 12.244 -3.524 -4.293 187 HD3 PRO 24 1HD PRO 24 11.281 -4.992 -4.553 188 H VAL 25 H VAL 25 6.753 -2.383 -3.429 189 HA VAL 25 HA VAL 25 6.422 -0.020 -5.049 190 HB VAL 25 HB VAL 25 4.650 -1.090 -2.843 191 HG11 VAL 25 1HG1 VAL 25 2.865 0.188 -3.964 192 HG12 VAL 25 2HG1 VAL 25 4.055 0.854 -5.084 193 HG13 VAL 25 3HG1 VAL 25 4.151 1.237 -3.364 194 HG21 VAL 25 3HG2 VAL 25 4.988 -2.766 -4.563 195 HG22 VAL 25 1HG2 VAL 25 4.580 -1.596 -5.818 196 HG23 VAL 25 2HG2 VAL 25 3.351 -2.114 -4.664 197 H LYS 26 H LYS 26 6.014 2.085 -4.291 198 HA LYS 26 HA LYS 26 7.344 2.760 -1.752 199 HB2 LYS 26 2HB LYS 26 6.766 4.543 -4.139 200 HB3 LYS 26 1HB LYS 26 7.676 4.998 -2.706 201 HG2 LYS 26 2HG LYS 26 9.239 4.593 -4.451 202 HG3 LYS 26 1HG LYS 26 9.365 3.245 -3.321 203 HD2 LYS 26 2HD LYS 26 7.948 1.885 -4.828 204 HD3 LYS 26 1HD LYS 26 7.870 3.236 -5.954 205 HE2 LYS 26 2HE LYS 26 10.234 3.108 -6.365 206 HE3 LYS 26 1HE LYS 26 10.437 1.909 -5.088 207 HZ1 LYS 26 3HZ LYS 26 8.814 1.465 -7.540 208 HZ2 LYS 26 1HZ LYS 26 9.221 0.317 -6.363 209 HZ3 LYS 26 2HZ LYS 26 10.420 0.971 -7.360 210 H THR 27 H THR 27 6.328 4.202 -0.293 211 HA THR 27 HA THR 27 3.612 3.830 0.135 212 HB THR 27 HB THR 27 5.331 6.104 1.161 213 HG1 THR 27 HG1 THR 27 6.170 4.229 1.946 214 HG21 THR 27 3HG2 THR 27 2.945 6.635 1.404 215 HG22 THR 27 1HG2 THR 27 3.683 6.304 2.972 216 HG23 THR 27 2HG2 THR 27 2.676 5.082 2.196 217 H ARG 28 H ARG 28 5.181 6.643 -1.415 218 HA ARG 28 HA ARG 28 2.889 8.250 -1.653 219 HB2 ARG 28 2HB ARG 28 5.322 8.133 -3.454 220 HB3 ARG 28 1HB ARG 28 4.107 9.405 -3.494 221 HG2 ARG 28 2HG ARG 28 4.666 9.971 -1.149 222 HG3 ARG 28 1HG ARG 28 5.944 8.752 -1.190 223 HD2 ARG 28 2HD ARG 28 5.749 11.217 -2.925 224 HD3 ARG 28 1HD ARG 28 6.885 10.952 -1.602 225 HE ARG 28 HE ARG 28 7.079 8.946 -3.630 226 HH11 ARG 28 1HH1 ARG 28 8.039 12.148 -2.810 227 HH12 ARG 28 2HH1 ARG 28 9.460 12.088 -3.791 228 HH21 ARG 28 1HH2 ARG 28 8.879 8.892 -4.905 229 HH22 ARG 28 2HH2 ARG 28 9.933 10.262 -4.963 230 H ASP 29 H ASP 29 4.209 5.829 -3.903 231 HA ASP 29 HA ASP 29 2.464 6.198 -6.039 232 HB2 ASP 29 2HB ASP 29 3.794 3.688 -5.010 233 HB3 ASP 29 1HB ASP 29 2.952 3.783 -6.555 234 H ILE 30 H ILE 30 2.010 4.277 -3.095 235 HA ILE 30 HA ILE 30 -0.448 3.088 -3.899 236 HB ILE 30 HB ILE 30 0.608 3.532 -1.096 237 HG12 ILE 30 2HG1 ILE 30 0.865 1.140 -2.948 238 HG13 ILE 30 1HG1 ILE 30 2.160 2.263 -2.546 239 HG21 ILE 30 1HG2 ILE 30 -1.789 3.047 -1.115 240 HG22 ILE 30 2HG2 ILE 30 -0.882 1.683 -0.463 241 HG23 ILE 30 3HG2 ILE 30 -1.505 1.621 -2.111 242 HD11 ILE 30 3HD1 ILE 30 0.759 0.407 -0.634 243 HD12 ILE 30 1HD1 ILE 30 2.033 1.552 -0.207 244 HD13 ILE 30 2HD1 ILE 30 2.381 0.211 -1.297 245 H ALA 31 H ALA 31 0.303 5.928 -1.872 246 HA ALA 31 HA ALA 31 -2.352 6.728 -1.351 247 HB1 ALA 31 3HB ALA 31 -0.399 7.642 -0.161 248 HB2 ALA 31 1HB ALA 31 -1.417 8.918 -0.828 249 HB3 ALA 31 2HB ALA 31 0.091 8.485 -1.630 250 H ASP 32 H ASP 32 -0.227 7.316 -4.079 251 HA ASP 32 HA ASP 32 -1.775 9.239 -5.448 252 HB2 ASP 32 2HB ASP 32 0.580 8.860 -5.959 253 HB3 ASP 32 1HB ASP 32 0.239 7.211 -6.467 254 H ALA 33 H ALA 33 -1.496 5.715 -5.987 255 HA ALA 33 HA ALA 33 -3.359 5.577 -8.090 256 HB1 ALA 33 3HB ALA 33 -1.665 3.856 -7.626 257 HB2 ALA 33 1HB ALA 33 -3.283 3.178 -7.800 258 HB3 ALA 33 2HB ALA 33 -2.574 3.367 -6.195 259 H ALA 34 H ALA 34 -3.831 5.202 -4.584 260 HA ALA 34 HA ALA 34 -6.617 4.464 -4.902 261 HB1 ALA 34 3HB ALA 34 -5.068 5.163 -2.406 262 HB2 ALA 34 1HB ALA 34 -5.323 3.542 -3.056 263 HB3 ALA 34 2HB ALA 34 -6.691 4.475 -2.456 264 H GLY 35 H GLY 35 -4.819 7.419 -4.381 265 HA2 GLY 35 2HA GLY 35 -5.554 9.616 -4.465 266 HA3 GLY 35 1HA GLY 35 -7.193 9.028 -4.699 267 H LEU 36 H LEU 36 -4.984 8.303 -2.025 268 HA LEU 36 HA LEU 36 -6.928 9.534 -0.163 269 HB2 LEU 36 2HB LEU 36 -5.164 7.119 0.280 270 HB3 LEU 36 1HB LEU 36 -6.220 7.831 1.486 271 HG LEU 36 HG LEU 36 -7.113 6.507 -1.090 272 HD11 LEU 36 1HD1 LEU 36 -8.021 4.770 0.364 273 HD12 LEU 36 2HD1 LEU 36 -7.355 5.588 1.778 274 HD13 LEU 36 3HD1 LEU 36 -6.273 4.911 0.558 275 HD21 LEU 36 3HD2 LEU 36 -8.618 8.323 -0.470 276 HD22 LEU 36 1HD2 LEU 36 -8.749 7.679 1.167 277 HD23 LEU 36 2HD2 LEU 36 -9.385 6.760 -0.197 278 H SER 37 H SER 37 -5.832 9.946 2.076 279 HA SER 37 HA SER 37 -3.633 11.768 1.604 280 HB2 SER 37 2HB SER 37 -5.031 11.027 4.193 281 HB3 SER 37 1HB SER 37 -3.895 12.359 3.991 282 HG SER 37 HG SER 37 -6.506 12.383 3.591 283 H ILE 38 H ILE 38 -1.567 11.707 2.591 284 HA ILE 38 HA ILE 38 -0.218 9.295 2.393 285 HB ILE 38 HB ILE 38 0.610 11.730 3.992 286 HG12 ILE 38 2HG1 ILE 38 0.181 12.231 1.630 287 HG13 ILE 38 1HG1 ILE 38 1.903 12.329 1.981 288 HG21 ILE 38 1HG2 ILE 38 2.287 9.414 3.002 289 HG22 ILE 38 2HG2 ILE 38 1.917 9.800 4.682 290 HG23 ILE 38 3HG2 ILE 38 2.916 10.893 3.729 291 HD11 ILE 38 3HD1 ILE 38 1.515 11.262 -0.153 292 HD12 ILE 38 1HD1 ILE 38 0.495 10.045 0.615 293 HD13 ILE 38 2HD1 ILE 38 2.219 10.113 0.985 294 H TYR 39 H TYR 39 -0.922 10.970 5.502 295 HA TYR 39 HA TYR 39 -0.067 8.921 7.195 296 HB2 TYR 39 2HB TYR 39 -0.518 11.168 8.013 297 HB3 TYR 39 1HB TYR 39 -2.230 10.996 7.645 298 HD1 TYR 39 HD1 TYR 39 0.412 9.210 9.616 299 HD2 TYR 39 HD2 TYR 39 -3.629 10.544 9.437 300 HE1 TYR 39 HE1 TYR 39 0.035 8.354 11.889 301 HE2 TYR 39 HE2 TYR 39 -4.018 9.687 11.709 302 HH TYR 39 HH TYR 39 -3.092 8.053 13.249 303 H GLN 40 H GLN 40 -3.267 9.468 5.790 304 HA GLN 40 HA GLN 40 -4.721 7.457 7.061 305 HB2 GLN 40 2HB GLN 40 -5.718 9.202 5.656 306 HB3 GLN 40 1HB GLN 40 -4.959 8.513 4.233 307 HG2 GLN 40 2HG GLN 40 -6.315 6.474 4.524 308 HG3 GLN 40 1HG GLN 40 -7.110 7.228 5.908 309 HE21 GLN 40 1HE2 GLN 40 -9.133 7.163 4.913 310 HE22 GLN 40 2HE2 GLN 40 -9.548 8.204 3.599 311 H VAL 41 H VAL 41 -2.917 7.309 3.991 312 HA VAL 41 HA VAL 41 -3.329 4.556 3.498 313 HB VAL 41 HB VAL 41 -1.085 6.350 2.530 314 HG11 VAL 41 1HG1 VAL 41 -0.869 4.732 0.685 315 HG12 VAL 41 2HG1 VAL 41 -2.059 3.691 1.468 316 HG13 VAL 41 3HG1 VAL 41 -0.507 4.002 2.248 317 HG21 VAL 41 3HG2 VAL 41 -2.464 6.582 0.498 318 HG22 VAL 41 1HG2 VAL 41 -3.275 7.222 1.927 319 HG23 VAL 41 2HG2 VAL 41 -3.747 5.652 1.275 320 H ARG 42 H ARG 42 -0.716 6.297 5.169 321 HA ARG 42 HA ARG 42 1.060 4.244 5.705 322 HB2 ARG 42 2HB ARG 42 0.222 6.643 7.325 323 HB3 ARG 42 1HB ARG 42 1.393 5.504 7.968 324 HG2 ARG 42 2HG ARG 42 1.732 6.932 5.337 325 HG3 ARG 42 1HG ARG 42 2.361 7.532 6.873 326 HD2 ARG 42 2HD ARG 42 3.083 4.928 5.517 327 HD3 ARG 42 1HD ARG 42 4.110 6.353 5.676 328 HE ARG 42 HE ARG 42 3.309 4.556 7.874 329 HH11 ARG 42 1HH1 ARG 42 5.336 7.093 6.685 330 HH12 ARG 42 2HH1 ARG 42 6.457 6.947 7.993 331 HH21 ARG 42 1HH2 ARG 42 4.758 4.391 9.535 332 HH22 ARG 42 2HH2 ARG 42 6.138 5.438 9.585 333 H LEU 43 H LEU 43 -1.846 5.114 7.574 334 HA LEU 43 HA LEU 43 -1.614 3.175 9.584 335 HB2 LEU 43 2HB LEU 43 -4.124 4.372 8.395 336 HB3 LEU 43 1HB LEU 43 -4.042 3.502 9.916 337 HG LEU 43 HG LEU 43 -2.672 6.135 9.323 338 HD11 LEU 43 1HD1 LEU 43 -5.099 6.350 9.515 339 HD12 LEU 43 2HD1 LEU 43 -4.280 7.091 10.887 340 HD13 LEU 43 3HD1 LEU 43 -5.055 5.518 11.068 341 HD21 LEU 43 3HD2 LEU 43 -2.136 6.153 11.726 342 HD22 LEU 43 1HD2 LEU 43 -1.373 4.796 10.893 343 HD23 LEU 43 2HD2 LEU 43 -2.809 4.529 11.882 344 H TYR 44 H TYR 44 -3.472 3.047 6.534 345 HA TYR 44 HA TYR 44 -4.445 0.431 6.860 346 HB2 TYR 44 2HB TYR 44 -3.981 2.122 4.411 347 HB3 TYR 44 1HB TYR 44 -4.631 0.490 4.295 348 HD1 TYR 44 HD1 TYR 44 -6.694 0.009 5.866 349 HD2 TYR 44 HD2 TYR 44 -5.493 3.894 4.603 350 HE1 TYR 44 HE1 TYR 44 -8.960 0.844 6.303 351 HE2 TYR 44 HE2 TYR 44 -7.762 4.741 5.041 352 HH TYR 44 HH TYR 44 -10.073 3.827 5.185 353 H LEU 45 H LEU 45 -1.463 1.546 5.264 354 HA LEU 45 HA LEU 45 -0.722 -0.963 4.181 355 HB2 LEU 45 2HB LEU 45 0.985 1.422 4.920 356 HB3 LEU 45 1HB LEU 45 1.549 0.048 3.988 357 HG LEU 45 HG LEU 45 -0.606 1.994 3.150 358 HD11 LEU 45 1HD1 LEU 45 2.207 1.597 2.134 359 HD12 LEU 45 2HD1 LEU 45 1.624 2.966 3.079 360 HD13 LEU 45 3HD1 LEU 45 1.008 2.693 1.451 361 HD21 LEU 45 3HD2 LEU 45 -1.078 -0.234 2.297 362 HD22 LEU 45 1HD2 LEU 45 0.568 -0.366 1.678 363 HD23 LEU 45 2HD2 LEU 45 -0.540 0.823 0.994 364 H GLU 46 H GLU 46 0.408 0.731 7.108 365 HA GLU 46 HA GLU 46 2.167 -1.338 7.903 366 HB2 GLU 46 2HB GLU 46 0.970 0.947 9.477 367 HB3 GLU 46 1HB GLU 46 2.253 -0.102 10.076 368 HG2 GLU 46 2HG GLU 46 3.583 0.588 8.024 369 HG3 GLU 46 1HG GLU 46 2.361 1.831 7.769 370 H GLN 47 H GLN 47 -1.249 -0.769 8.588 371 HA GLN 47 HA GLN 47 -1.431 -2.884 10.519 372 HB2 GLN 47 2HB GLN 47 -3.514 -1.420 8.899 373 HB3 GLN 47 1HB GLN 47 -3.926 -2.718 10.014 374 HG2 GLN 47 2HG GLN 47 -2.508 -0.158 10.747 375 HG3 GLN 47 1HG GLN 47 -4.215 -0.505 11.025 376 HE21 GLN 47 1HE2 GLN 47 -2.025 0.098 12.912 377 HE22 GLN 47 2HE2 GLN 47 -2.005 -1.216 14.032 378 H LEU 48 H LEU 48 -1.947 -2.687 6.999 379 HA LEU 48 HA LEU 48 -2.713 -5.385 6.646 380 HB2 LEU 48 2HB LEU 48 -1.397 -3.409 4.790 381 HB3 LEU 48 1HB LEU 48 -1.775 -5.045 4.282 382 HG LEU 48 HG LEU 48 -3.794 -3.000 5.232 383 HD11 LEU 48 1HD1 LEU 48 -3.237 -4.044 2.454 384 HD12 LEU 48 2HD1 LEU 48 -2.876 -2.424 3.048 385 HD13 LEU 48 3HD1 LEU 48 -4.550 -2.957 2.908 386 HD21 LEU 48 3HD2 LEU 48 -5.465 -4.637 4.472 387 HD22 LEU 48 1HD2 LEU 48 -4.481 -5.261 5.797 388 HD23 LEU 48 2HD2 LEU 48 -4.171 -5.791 4.143 389 H HIS 49 H HIS 49 0.419 -3.881 7.109 390 HA HIS 49 HA HIS 49 1.940 -6.243 6.559 391 HB2 HIS 49 2HB HIS 49 3.054 -4.073 6.557 392 HB3 HIS 49 1HB HIS 49 2.630 -3.819 8.248 393 HD1 HIS 49 HD1 HIS 49 4.280 -6.805 6.530 394 HD2 HIS 49 HD2 HIS 49 4.944 -4.119 9.633 395 HE1 HIS 49 HE1 HIS 49 6.397 -7.561 7.631 396 HE2 HIS 49 HE2 HIS 49 6.696 -6.023 9.596 397 H ASP 50 H ASP 50 0.477 -4.865 9.468 398 HA ASP 50 HA ASP 50 1.573 -6.636 11.351 399 HB2 ASP 50 2HB ASP 50 0.410 -4.476 11.846 400 HB3 ASP 50 1HB ASP 50 -1.122 -5.267 11.489 401 H VAL 51 H VAL 51 -1.373 -6.891 9.379 402 HA VAL 51 HA VAL 51 -2.138 -9.413 10.565 403 HB VAL 51 HB VAL 51 -3.913 -9.487 8.858 404 HG11 VAL 51 1HG1 VAL 51 -4.271 -8.258 10.954 405 HG12 VAL 51 2HG1 VAL 51 -5.161 -7.532 9.617 406 HG13 VAL 51 3HG1 VAL 51 -3.671 -6.784 10.192 407 HG21 VAL 51 3HG2 VAL 51 -2.724 -6.899 7.843 408 HG22 VAL 51 1HG2 VAL 51 -4.213 -7.656 7.277 409 HG23 VAL 51 2HG2 VAL 51 -2.664 -8.452 7.013 410 H GLY 52 H GLY 52 0.091 -8.532 8.139 411 HA2 GLY 52 2HA GLY 52 1.676 -10.105 7.344 412 HA3 GLY 52 1HA GLY 52 0.500 -11.384 7.573 413 H VAL 53 H VAL 53 -0.484 -8.513 5.857 414 HA VAL 53 HA VAL 53 -0.658 -10.042 3.371 415 HB VAL 53 HB VAL 53 -1.632 -7.231 3.973 416 HG11 VAL 53 1HG1 VAL 53 -2.209 -9.018 1.600 417 HG12 VAL 53 2HG1 VAL 53 -1.194 -7.574 1.588 418 HG13 VAL 53 3HG1 VAL 53 -2.924 -7.432 1.902 419 HG21 VAL 53 3HG2 VAL 53 -3.856 -8.190 4.127 420 HG22 VAL 53 1HG2 VAL 53 -2.786 -8.966 5.292 421 HG23 VAL 53 2HG2 VAL 53 -3.216 -9.803 3.801 422 H LEU 54 H LEU 54 0.612 -6.850 4.365 423 HA LEU 54 HA LEU 54 2.308 -6.816 1.954 424 HB2 LEU 54 2HB LEU 54 1.562 -4.519 3.772 425 HB3 LEU 54 1HB LEU 54 2.428 -4.405 2.251 426 HG LEU 54 HG LEU 54 -0.465 -5.210 2.614 427 HD11 LEU 54 1HD1 LEU 54 -0.124 -2.836 2.881 428 HD12 LEU 54 2HD1 LEU 54 -0.898 -3.143 1.328 429 HD13 LEU 54 3HD1 LEU 54 0.825 -2.767 1.396 430 HD21 LEU 54 3HD2 LEU 54 -0.573 -5.282 0.165 431 HD22 LEU 54 1HD2 LEU 54 0.548 -6.489 0.796 432 HD23 LEU 54 2HD2 LEU 54 1.167 -5.001 0.073 433 H GLU 55 H GLU 55 4.438 -7.094 2.170 434 HA GLU 55 HA GLU 55 5.653 -7.042 4.824 435 HB2 GLU 55 2HB GLU 55 6.098 -9.005 3.488 436 HB3 GLU 55 1HB GLU 55 6.665 -8.019 2.146 437 HG2 GLU 55 2HG GLU 55 8.583 -7.299 3.443 438 HG3 GLU 55 1HG GLU 55 8.000 -8.198 4.843 439 H LYS 56 H LYS 56 7.245 -5.650 5.464 440 HA LYS 56 HA LYS 56 7.773 -3.308 3.809 441 HB2 LYS 56 2HB LYS 56 8.541 -3.993 6.655 442 HB3 LYS 56 1HB LYS 56 9.023 -2.509 5.848 443 HG2 LYS 56 2HG LYS 56 6.695 -1.838 5.636 444 HG3 LYS 56 1HG LYS 56 6.176 -3.354 6.381 445 HD2 LYS 56 2HD LYS 56 7.293 -2.755 8.456 446 HD3 LYS 56 1HD LYS 56 7.943 -1.292 7.719 447 HE2 LYS 56 2HE LYS 56 5.743 -0.342 7.522 448 HE3 LYS 56 1HE LYS 56 4.994 -1.852 8.039 449 HZ1 LYS 56 3HZ LYS 56 6.816 -0.242 9.752 450 HZ2 LYS 56 1HZ LYS 56 5.891 -1.580 10.217 451 HZ3 LYS 56 2HZ LYS 56 5.131 -0.126 9.799 452 H VAL 57 H VAL 57 9.148 -4.081 2.184 453 HA VAL 57 HA VAL 57 11.563 -5.508 2.727 454 HB VAL 57 HB VAL 57 10.850 -3.843 0.297 455 HG11 VAL 57 1HG1 VAL 57 12.536 -5.197 -0.872 456 HG12 VAL 57 2HG1 VAL 57 12.950 -5.987 0.650 457 HG13 VAL 57 3HG1 VAL 57 13.247 -4.261 0.446 458 HG21 VAL 57 3HG2 VAL 57 9.197 -5.594 0.679 459 HG22 VAL 57 1HG2 VAL 57 10.478 -6.802 0.815 460 HG23 VAL 57 2HG2 VAL 57 10.189 -5.989 -0.724 461 H ASN 58 H ASN 58 13.557 -4.766 3.243 462 HA ASN 58 HA ASN 58 15.279 -3.369 3.769 463 HB2 ASN 58 2HB ASN 58 14.818 -2.266 1.576 464 HB3 ASN 58 1HB ASN 58 13.705 -1.173 2.390 465 HD21 ASN 58 1HD2 ASN 58 14.796 0.689 2.015 466 HD22 ASN 58 2HD2 ASN 58 16.359 1.040 2.657 467 H ALA 59 H ALA 59 12.768 -3.723 5.398 468 HA ALA 59 HA ALA 59 12.386 -1.293 6.866 469 HB1 ALA 59 3HB ALA 59 11.049 -2.617 8.392 470 HB2 ALA 59 1HB ALA 59 11.650 -4.106 7.660 471 HB3 ALA 59 2HB ALA 59 10.643 -3.007 6.720 472 H GLY 60 H GLY 60 14.776 -3.747 6.989 473 HA2 GLY 60 2HA GLY 60 16.535 -4.180 8.398 474 HA3 GLY 60 1HA GLY 60 16.450 -2.471 8.786 475 H LYS 61 H LYS 61 15.494 -1.812 10.696 476 HA LYS 61 HA LYS 61 14.513 -3.920 12.513 477 HB2 LYS 61 2HB LYS 61 16.368 -1.632 13.217 478 HB3 LYS 61 1HB LYS 61 15.613 -2.699 14.393 479 HG2 LYS 61 2HG LYS 61 16.774 -4.621 13.327 480 HG3 LYS 61 1HG LYS 61 17.605 -3.484 12.266 481 HD2 LYS 61 2HD LYS 61 17.774 -3.519 15.287 482 HD3 LYS 61 1HD LYS 61 18.995 -4.156 14.184 483 HE2 LYS 61 2HE LYS 61 18.104 -1.276 14.377 484 HE3 LYS 61 1HE LYS 61 19.611 -1.941 15.004 485 HZ1 LYS 61 3HZ LYS 61 18.808 -1.814 12.147 486 HZ2 LYS 61 1HZ LYS 61 20.228 -2.528 12.723 487 HZ3 LYS 61 2HZ LYS 61 19.988 -0.867 12.901 488 H GLY 62 H GLY 62 12.924 -2.215 10.855 489 HA2 GLY 62 2HA GLY 62 10.673 -1.712 11.616 490 HA3 GLY 62 1HA GLY 62 11.367 -0.945 13.028 491 H VAL 63 H VAL 63 12.282 -0.455 9.605 492 HA VAL 63 HA VAL 63 11.344 2.337 9.871 493 HB VAL 63 HB VAL 63 12.919 3.004 8.183 494 HG11 VAL 63 1HG1 VAL 63 14.274 1.246 10.226 495 HG12 VAL 63 2HG1 VAL 63 13.775 2.919 10.454 496 HG13 VAL 63 3HG1 VAL 63 15.052 2.531 9.304 497 HG21 VAL 63 3HG2 VAL 63 12.858 1.048 6.726 498 HG22 VAL 63 1HG2 VAL 63 13.723 0.104 7.940 499 HG23 VAL 63 2HG2 VAL 63 14.521 1.459 7.143 500 HA PRO 64 HA PRO 64 8.368 1.572 6.601 501 HB2 PRO 64 2HB PRO 64 8.650 4.410 5.846 502 HB3 PRO 64 1HB PRO 64 7.236 3.550 6.464 503 HG2 PRO 64 2HG PRO 64 8.572 5.347 7.962 504 HG3 PRO 64 1HG PRO 64 7.815 3.908 8.673 505 HD2 PRO 64 2HD PRO 64 10.703 4.396 7.998 506 HD3 PRO 64 1HD PRO 64 9.999 3.627 9.439 507 H GLY 65 H GLY 65 9.630 0.298 5.210 508 HA2 GLY 65 2HA GLY 65 11.352 1.676 3.270 509 HA3 GLY 65 1HA GLY 65 11.315 -0.053 3.570 510 H LEU 66 H LEU 66 10.836 -0.935 1.658 511 HA LEU 66 HA LEU 66 8.806 0.294 -0.064 512 HB2 LEU 66 2HB LEU 66 10.804 -1.910 -0.597 513 HB3 LEU 66 1HB LEU 66 9.686 -1.260 -1.783 514 HG LEU 66 HG LEU 66 11.865 0.342 -0.417 515 HD11 LEU 66 1HD1 LEU 66 11.762 -0.806 -3.208 516 HD12 LEU 66 2HD1 LEU 66 12.810 -1.350 -1.895 517 HD13 LEU 66 3HD1 LEU 66 13.013 0.267 -2.573 518 HD21 LEU 66 3HD2 LEU 66 10.014 1.019 -2.710 519 HD22 LEU 66 1HD2 LEU 66 11.341 2.027 -2.126 520 HD23 LEU 66 2HD2 LEU 66 9.956 1.703 -1.082 521 H TRP 67 H TRP 67 6.878 -0.625 -0.494 522 HA TRP 67 HA TRP 67 6.032 -2.823 1.186 523 HB2 TRP 67 2HB TRP 67 4.457 -1.112 -0.751 524 HB3 TRP 67 1HB TRP 67 3.771 -2.246 0.411 525 HD1 TRP 67 HD1 TRP 67 5.026 1.286 0.114 526 HE1 TRP 67 HE1 TRP 67 4.827 2.468 2.391 527 HE3 TRP 67 HE3 TRP 67 3.967 -2.769 3.040 528 HZ2 TRP 67 HZ2 TRP 67 4.303 1.771 5.076 529 HZ3 TRP 67 HZ3 TRP 67 3.634 -2.426 5.455 530 HH2 TRP 67 HH2 TRP 67 3.800 -0.205 6.446 531 H ARG 68 H ARG 68 5.897 -4.867 0.605 532 HA ARG 68 HA ARG 68 5.233 -5.579 -2.170 533 HB2 ARG 68 2HB ARG 68 7.618 -5.842 -2.119 534 HB3 ARG 68 1HB ARG 68 7.557 -6.663 -0.565 535 HG2 ARG 68 2HG ARG 68 6.455 -8.572 -1.590 536 HG3 ARG 68 1HG ARG 68 6.452 -7.750 -3.153 537 HD2 ARG 68 2HD ARG 68 8.884 -7.769 -3.195 538 HD3 ARG 68 1HD ARG 68 8.930 -8.495 -1.587 539 HE ARG 68 HE ARG 68 7.422 -10.155 -3.266 540 HH11 ARG 68 1HH1 ARG 68 10.693 -9.136 -2.858 541 HH12 ARG 68 2HH1 ARG 68 11.334 -10.605 -3.498 542 HH21 ARG 68 1HH2 ARG 68 8.255 -12.003 -4.099 543 HH22 ARG 68 2HH2 ARG 68 9.966 -12.207 -4.209 544 H LEU 69 H LEU 69 3.394 -6.791 -2.077 545 HA LEU 69 HA LEU 69 2.479 -7.989 0.322 546 HB2 LEU 69 2HB LEU 69 0.632 -8.843 -0.892 547 HB3 LEU 69 1HB LEU 69 0.980 -7.253 -1.536 548 HG LEU 69 HG LEU 69 1.941 -9.772 -2.898 549 HD11 LEU 69 1HD1 LEU 69 -0.010 -9.658 -4.339 550 HD12 LEU 69 2HD1 LEU 69 -0.644 -8.296 -3.414 551 HD13 LEU 69 3HD1 LEU 69 -0.497 -9.884 -2.660 552 HD21 LEU 69 3HD2 LEU 69 3.048 -7.725 -3.605 553 HD22 LEU 69 1HD2 LEU 69 1.487 -6.951 -3.888 554 HD23 LEU 69 2HD2 LEU 69 1.990 -8.317 -4.886 555 H LEU 70 H LEU 70 2.136 -10.249 0.782 556 HA LEU 70 HA LEU 70 4.510 -11.777 0.162 557 HB2 LEU 70 2HB LEU 70 2.131 -12.439 1.902 558 HB3 LEU 70 1HB LEU 70 3.575 -13.427 1.763 559 HG LEU 70 HG LEU 70 3.457 -10.613 2.874 560 HD11 LEU 70 1HD1 LEU 70 4.023 -11.687 5.007 561 HD12 LEU 70 2HD1 LEU 70 3.893 -13.271 4.241 562 HD13 LEU 70 3HD1 LEU 70 2.470 -12.238 4.381 563 HD21 LEU 70 3HD2 LEU 70 5.574 -11.024 1.722 564 HD22 LEU 70 1HD2 LEU 70 5.798 -12.513 2.640 565 HD23 LEU 70 2HD2 LEU 70 5.814 -10.956 3.468 566 H GLU 71 H GLU 71 4.716 -13.238 -1.407 567 HA GLU 71 HA GLU 71 2.302 -14.302 -2.681 568 HB2 GLU 71 2HB GLU 71 3.774 -15.045 -4.519 569 HB3 GLU 71 1HB GLU 71 3.847 -13.315 -4.246 570 HG2 GLU 71 2HG GLU 71 5.918 -15.256 -3.224 571 HG3 GLU 71 1HG GLU 71 6.025 -14.440 -4.780 Start of MODEL 12 1 H1 MET 1 1H MET 1 -20.700 -4.394 -3.439 2 H2 MET 1 2H MET 1 -21.493 -3.061 -4.108 3 H3 MET 1 3H MET 1 -21.108 -3.076 -2.458 4 HA MET 1 HA MET 1 -19.166 -3.034 -4.701 5 HB2 MET 1 2HB MET 1 -20.317 -0.899 -4.441 6 HB3 MET 1 1HB MET 1 -19.994 -0.895 -2.715 7 HG2 MET 1 2HG MET 1 -17.606 -0.672 -3.143 8 HG3 MET 1 1HG MET 1 -17.901 -0.735 -4.882 9 HE1 MET 1 3HE MET 1 -16.236 1.577 -3.500 10 HE2 MET 1 1HE MET 1 -16.889 3.016 -4.283 11 HE3 MET 1 2HE MET 1 -16.566 1.563 -5.235 12 H SER 2 H SER 2 -16.985 -3.205 -4.134 13 HA SER 2 HA SER 2 -16.341 -4.790 -1.927 14 HB2 SER 2 2HB SER 2 -13.957 -4.244 -2.453 15 HB3 SER 2 1HB SER 2 -14.887 -4.742 -3.864 16 HG SER 2 HG SER 2 -14.638 -2.004 -3.222 17 H GLU 3 H GLU 3 -16.920 -4.077 0.043 18 HA GLU 3 HA GLU 3 -16.658 -1.500 1.113 19 HB2 GLU 3 2HB GLU 3 -16.932 -2.565 3.293 20 HB3 GLU 3 1HB GLU 3 -18.028 -3.292 2.123 21 HG2 GLU 3 2HG GLU 3 -16.380 -5.146 1.833 22 HG3 GLU 3 1HG GLU 3 -15.438 -4.447 3.148 23 H SER 4 H SER 4 -14.356 -4.126 0.873 24 HA SER 4 HA SER 4 -12.434 -3.008 2.679 25 HB2 SER 4 2HB SER 4 -12.467 -5.407 2.356 26 HB3 SER 4 1HB SER 4 -12.180 -5.222 0.626 27 HG SER 4 HG SER 4 -10.210 -5.629 1.440 28 H ILE 5 H ILE 5 -12.157 -0.855 1.853 29 HA ILE 5 HA ILE 5 -11.009 -0.224 -0.627 30 HB ILE 5 HB ILE 5 -11.824 1.495 0.933 31 HG12 ILE 5 2HG1 ILE 5 -8.877 1.834 0.291 32 HG13 ILE 5 1HG1 ILE 5 -10.201 2.117 -0.835 33 HG21 ILE 5 1HG2 ILE 5 -11.074 0.513 3.032 34 HG22 ILE 5 2HG2 ILE 5 -10.485 2.168 2.881 35 HG23 ILE 5 3HG2 ILE 5 -9.392 0.814 2.593 36 HD11 ILE 5 3HD1 ILE 5 -9.399 4.201 0.035 37 HD12 ILE 5 1HD1 ILE 5 -9.634 3.646 1.692 38 HD13 ILE 5 2HD1 ILE 5 -11.026 3.906 0.643 39 H VAL 6 H VAL 6 -9.706 -1.707 2.204 40 HA VAL 6 HA VAL 6 -6.959 -1.527 1.823 41 HB VAL 6 HB VAL 6 -8.598 -3.840 2.894 42 HG11 VAL 6 1HG1 VAL 6 -6.530 -4.553 4.022 43 HG12 VAL 6 2HG1 VAL 6 -5.640 -3.290 3.172 44 HG13 VAL 6 3HG1 VAL 6 -6.375 -4.611 2.265 45 HG21 VAL 6 3HG2 VAL 6 -8.932 -1.741 4.115 46 HG22 VAL 6 1HG2 VAL 6 -7.188 -1.582 4.332 47 HG23 VAL 6 2HG2 VAL 6 -8.053 -2.914 5.097 48 H THR 7 H THR 7 -9.229 -3.990 0.558 49 HA THR 7 HA THR 7 -7.374 -5.515 -0.891 50 HB THR 7 HB THR 7 -10.299 -5.052 -1.545 51 HG1 THR 7 HG1 THR 7 -9.298 -7.352 -0.256 52 HG21 THR 7 3HG2 THR 7 -8.432 -7.276 -2.408 53 HG22 THR 7 1HG2 THR 7 -9.127 -6.034 -3.452 54 HG23 THR 7 2HG2 THR 7 -10.173 -7.236 -2.695 55 H LYS 8 H LYS 8 -9.069 -2.551 -1.773 56 HA LYS 8 HA LYS 8 -8.303 -2.417 -4.483 57 HB2 LYS 8 2HB LYS 8 -10.010 -0.942 -3.495 58 HB3 LYS 8 1HB LYS 8 -8.779 -0.165 -2.506 59 HG2 LYS 8 2HG LYS 8 -7.657 0.593 -4.596 60 HG3 LYS 8 1HG LYS 8 -9.010 -0.076 -5.514 61 HD2 LYS 8 2HD LYS 8 -10.550 1.418 -4.303 62 HD3 LYS 8 1HD LYS 8 -9.182 2.097 -3.416 63 HE2 LYS 8 2HE LYS 8 -9.741 3.587 -5.210 64 HE3 LYS 8 1HE LYS 8 -8.206 2.813 -5.592 65 HZ1 LYS 8 3HZ LYS 8 -9.404 1.279 -7.051 66 HZ2 LYS 8 1HZ LYS 8 -9.646 2.888 -7.516 67 HZ3 LYS 8 2HZ LYS 8 -10.860 2.057 -6.688 68 H ILE 9 H ILE 9 -6.778 -1.068 -1.559 69 HA ILE 9 HA ILE 9 -4.504 0.055 -2.746 70 HB ILE 9 HB ILE 9 -4.823 -1.119 0.029 71 HG12 ILE 9 2HG1 ILE 9 -5.047 1.734 -0.981 72 HG13 ILE 9 1HG1 ILE 9 -6.396 0.708 -0.505 73 HG21 ILE 9 1HG2 ILE 9 -2.890 0.278 0.656 74 HG22 ILE 9 2HG2 ILE 9 -2.674 0.716 -1.038 75 HG23 ILE 9 3HG2 ILE 9 -2.460 -0.956 -0.528 76 HD11 ILE 9 3HD1 ILE 9 -4.199 1.698 1.296 77 HD12 ILE 9 1HD1 ILE 9 -5.539 0.655 1.782 78 HD13 ILE 9 2HD1 ILE 9 -5.855 2.301 1.228 79 H ILE 10 H ILE 10 -4.989 -3.229 -1.433 80 HA ILE 10 HA ILE 10 -2.435 -4.266 -1.895 81 HB ILE 10 HB ILE 10 -5.097 -5.707 -2.076 82 HG12 ILE 10 2HG1 ILE 10 -3.149 -5.427 0.234 83 HG13 ILE 10 1HG1 ILE 10 -4.680 -4.572 0.088 84 HG21 ILE 10 1HG2 ILE 10 -2.305 -6.827 -1.743 85 HG22 ILE 10 2HG2 ILE 10 -3.350 -7.015 -3.153 86 HG23 ILE 10 3HG2 ILE 10 -3.801 -7.755 -1.619 87 HD11 ILE 10 3HD1 ILE 10 -4.325 -7.552 0.349 88 HD12 ILE 10 1HD1 ILE 10 -5.868 -6.715 0.166 89 HD13 ILE 10 2HD1 ILE 10 -4.882 -6.442 1.603 90 H SER 11 H SER 11 -5.229 -4.069 -4.082 91 HA SER 11 HA SER 11 -4.054 -5.350 -6.320 92 HB2 SER 11 2HB SER 11 -6.222 -3.228 -6.256 93 HB3 SER 11 1HB SER 11 -5.831 -4.249 -7.643 94 HG SER 11 HG SER 11 -6.952 -4.992 -5.150 95 H ILE 12 H ILE 12 -3.958 -2.014 -5.193 96 HA ILE 12 HA ILE 12 -2.692 -0.883 -7.468 97 HB ILE 12 HB ILE 12 -2.588 -0.003 -4.571 98 HG12 ILE 12 2HG1 ILE 12 -4.342 1.005 -6.829 99 HG13 ILE 12 1HG1 ILE 12 -4.867 -0.155 -5.618 100 HG21 ILE 12 1HG2 ILE 12 -1.973 2.213 -5.456 101 HG22 ILE 12 2HG2 ILE 12 -1.884 1.533 -7.081 102 HG23 ILE 12 3HG2 ILE 12 -0.757 0.992 -5.836 103 HD11 ILE 12 3HD1 ILE 12 -5.645 2.084 -5.105 104 HD12 ILE 12 1HD1 ILE 12 -3.983 2.670 -5.077 105 HD13 ILE 12 2HD1 ILE 12 -4.529 1.505 -3.870 106 H VAL 13 H VAL 13 -1.366 -2.154 -4.404 107 HA VAL 13 HA VAL 13 1.367 -1.828 -4.993 108 HB VAL 13 HB VAL 13 0.095 -4.031 -3.340 109 HG11 VAL 13 1HG1 VAL 13 2.918 -2.943 -3.301 110 HG12 VAL 13 2HG1 VAL 13 2.421 -4.526 -3.902 111 HG13 VAL 13 3HG1 VAL 13 2.261 -4.143 -2.186 112 HG21 VAL 13 3HG2 VAL 13 -0.590 -1.805 -2.575 113 HG22 VAL 13 1HG2 VAL 13 1.100 -1.316 -2.468 114 HG23 VAL 13 2HG2 VAL 13 0.479 -2.581 -1.410 115 H GLN 14 H GLN 14 -0.799 -4.599 -5.564 116 HA GLN 14 HA GLN 14 0.965 -6.353 -6.818 117 HB2 GLN 14 2HB GLN 14 -1.271 -7.031 -6.179 118 HB3 GLN 14 1HB GLN 14 -1.986 -5.865 -7.282 119 HG2 GLN 14 2HG GLN 14 -1.060 -7.126 -9.188 120 HG3 GLN 14 1HG GLN 14 -0.408 -8.316 -8.063 121 HE21 GLN 14 1HE2 GLN 14 -1.829 -9.727 -7.023 122 HE22 GLN 14 2HE2 GLN 14 -3.461 -9.939 -7.536 123 H GLU 15 H GLU 15 -1.100 -3.867 -8.281 124 HA GLU 15 HA GLU 15 -0.441 -4.169 -10.961 125 HB2 GLU 15 2HB GLU 15 -2.285 -2.798 -10.177 126 HB3 GLU 15 1HB GLU 15 -1.179 -1.695 -9.382 127 HG2 GLU 15 2HG GLU 15 -0.718 -1.992 -12.268 128 HG3 GLU 15 1HG GLU 15 -2.282 -1.304 -11.840 129 H ARG 16 H ARG 16 1.002 -1.817 -8.673 130 HA ARG 16 HA ARG 16 3.031 -0.884 -10.348 131 HB2 ARG 16 2HB ARG 16 2.898 -1.083 -7.339 132 HB3 ARG 16 1HB ARG 16 4.229 -0.300 -8.181 133 HG2 ARG 16 2HG ARG 16 1.326 0.517 -8.307 134 HG3 ARG 16 1HG ARG 16 2.604 1.333 -7.402 135 HD2 ARG 16 2HD ARG 16 3.798 1.590 -9.648 136 HD3 ARG 16 1HD ARG 16 2.272 1.112 -10.391 137 HE ARG 16 HE ARG 16 2.630 3.512 -8.710 138 HH11 ARG 16 1HH1 ARG 16 1.030 1.836 -11.278 139 HH12 ARG 16 2HH1 ARG 16 0.144 3.240 -11.767 140 HH21 ARG 16 1HH2 ARG 16 1.485 5.294 -9.364 141 HH22 ARG 16 2HH2 ARG 16 0.416 5.173 -10.719 142 H GLN 17 H GLN 17 3.080 -3.675 -8.118 143 HA GLN 17 HA GLN 17 5.777 -4.382 -8.522 144 HB2 GLN 17 2HB GLN 17 3.375 -6.071 -7.809 145 HB3 GLN 17 1HB GLN 17 4.987 -6.755 -7.966 146 HG2 GLN 17 2HG GLN 17 5.731 -5.060 -6.236 147 HG3 GLN 17 1HG GLN 17 4.020 -4.733 -5.960 148 HE21 GLN 17 1HE2 GLN 17 4.099 -5.500 -3.849 149 HE22 GLN 17 2HE2 GLN 17 4.253 -7.182 -3.479 150 H ASN 18 H ASN 18 2.849 -5.388 -10.280 151 HA ASN 18 HA ASN 18 4.041 -7.256 -11.980 152 HB2 ASN 18 2HB ASN 18 1.600 -5.522 -12.380 153 HB3 ASN 18 1HB ASN 18 2.063 -6.812 -13.488 154 HD21 ASN 18 1HD2 ASN 18 -0.332 -6.572 -11.855 155 HD22 ASN 18 2HD2 ASN 18 -0.365 -7.978 -10.854 156 H MET 19 H MET 19 3.987 -3.748 -12.214 157 HA MET 19 HA MET 19 4.810 -3.385 -14.850 158 HB2 MET 19 2HB MET 19 5.497 -1.859 -12.342 159 HB3 MET 19 1HB MET 19 6.089 -1.359 -13.918 160 HG2 MET 19 2HG MET 19 3.740 -1.198 -14.693 161 HG3 MET 19 1HG MET 19 3.213 -1.567 -13.052 162 HE1 MET 19 3HE MET 19 2.565 2.345 -13.697 163 HE2 MET 19 1HE MET 19 1.778 0.786 -13.457 164 HE3 MET 19 2HE MET 19 2.615 1.125 -14.970 165 H ASP 20 H ASP 20 6.808 -4.264 -12.039 166 HA ASP 20 HA ASP 20 9.064 -4.782 -13.883 167 HB2 ASP 20 2HB ASP 20 9.384 -2.672 -12.600 168 HB3 ASP 20 1HB ASP 20 9.274 -3.589 -11.105 169 H ASP 21 H ASP 21 6.909 -6.323 -12.163 170 HA ASP 21 HA ASP 21 6.681 -8.225 -10.968 171 HB2 ASP 21 2HB ASP 21 7.705 -9.171 -12.986 172 HB3 ASP 21 1HB ASP 21 9.309 -8.934 -12.295 173 H GLY 22 H GLY 22 6.763 -7.611 -8.845 174 HA2 GLY 22 2HA GLY 22 7.588 -8.219 -6.717 175 HA3 GLY 22 1HA GLY 22 9.192 -8.399 -7.401 176 H ALA 23 H ALA 23 8.470 -5.557 -8.651 177 HA ALA 23 HA ALA 23 10.152 -4.073 -7.008 178 HB1 ALA 23 3HB ALA 23 9.677 -3.477 -9.322 179 HB2 ALA 23 1HB ALA 23 9.409 -2.107 -8.247 180 HB3 ALA 23 2HB ALA 23 8.035 -3.017 -8.878 181 HA PRO 24 HA PRO 24 7.317 -3.133 -3.626 182 HB2 PRO 24 2HB PRO 24 9.093 -1.876 -2.036 183 HB3 PRO 24 1HB PRO 24 9.114 -3.630 -2.255 184 HG2 PRO 24 2HG PRO 24 10.818 -1.540 -3.572 185 HG3 PRO 24 1HG PRO 24 11.305 -3.096 -2.874 186 HD2 PRO 24 2HD PRO 24 10.923 -2.716 -5.549 187 HD3 PRO 24 1HD PRO 24 10.657 -4.279 -4.747 188 H VAL 25 H VAL 25 6.285 -1.256 -2.769 189 HA VAL 25 HA VAL 25 6.732 1.196 -4.372 190 HB VAL 25 HB VAL 25 4.079 0.372 -3.184 191 HG11 VAL 25 1HG1 VAL 25 3.156 1.909 -4.846 192 HG12 VAL 25 2HG1 VAL 25 4.780 2.257 -5.444 193 HG13 VAL 25 3HG1 VAL 25 4.323 2.730 -3.808 194 HG21 VAL 25 3HG2 VAL 25 4.801 -1.417 -4.681 195 HG22 VAL 25 1HG2 VAL 25 5.086 -0.244 -5.966 196 HG23 VAL 25 2HG2 VAL 25 3.449 -0.524 -5.371 197 H LYS 26 H LYS 26 6.442 3.243 -3.336 198 HA LYS 26 HA LYS 26 6.808 3.212 -0.436 199 HB2 LYS 26 2HB LYS 26 6.716 5.594 -2.308 200 HB3 LYS 26 1HB LYS 26 7.189 5.625 -0.620 201 HG2 LYS 26 2HG LYS 26 9.201 5.711 -1.775 202 HG3 LYS 26 1HG LYS 26 9.067 4.022 -1.296 203 HD2 LYS 26 2HD LYS 26 8.370 3.386 -3.508 204 HD3 LYS 26 1HD LYS 26 8.249 5.075 -4.004 205 HE2 LYS 26 2HE LYS 26 10.685 5.318 -3.657 206 HE3 LYS 26 1HE LYS 26 10.780 3.605 -3.248 207 HZ1 LYS 26 3HZ LYS 26 9.805 4.664 -5.843 208 HZ2 LYS 26 1HZ LYS 26 10.043 3.038 -5.446 209 HZ3 LYS 26 2HZ LYS 26 11.367 4.080 -5.573 210 H THR 27 H THR 27 5.514 4.579 0.989 211 HA THR 27 HA THR 27 2.766 4.144 0.823 212 HB THR 27 HB THR 27 4.132 6.355 2.385 213 HG1 THR 27 HG1 THR 27 4.340 4.853 4.016 214 HG21 THR 27 3HG2 THR 27 1.698 6.655 2.267 215 HG22 THR 27 1HG2 THR 27 2.202 6.197 3.894 216 HG23 THR 27 2HG2 THR 27 1.462 5.001 2.833 217 H ARG 28 H ARG 28 4.590 7.121 0.058 218 HA ARG 28 HA ARG 28 2.344 8.724 -0.497 219 HB2 ARG 28 2HB ARG 28 3.849 10.362 -1.227 220 HB3 ARG 28 1HB ARG 28 4.790 9.424 -0.082 221 HG2 ARG 28 2HG ARG 28 6.338 9.539 -1.732 222 HG3 ARG 28 1HG ARG 28 5.467 8.128 -2.332 223 HD2 ARG 28 2HD ARG 28 4.004 9.926 -3.568 224 HD3 ARG 28 1HD ARG 28 5.412 10.957 -3.312 225 HE ARG 28 HE ARG 28 6.199 8.493 -4.442 226 HH11 ARG 28 1HH1 ARG 28 4.647 11.453 -5.236 227 HH12 ARG 28 2HH1 ARG 28 5.022 11.330 -6.919 228 HH21 ARG 28 1HH2 ARG 28 6.603 8.284 -6.605 229 HH22 ARG 28 2HH2 ARG 28 6.110 9.533 -7.695 230 H ASP 29 H ASP 29 4.265 6.608 -2.597 231 HA ASP 29 HA ASP 29 3.097 7.353 -5.055 232 HB2 ASP 29 2HB ASP 29 4.375 4.751 -4.182 233 HB3 ASP 29 1HB ASP 29 3.907 5.105 -5.844 234 H ILE 30 H ILE 30 2.263 4.773 -2.754 235 HA ILE 30 HA ILE 30 0.089 3.701 -4.201 236 HB ILE 30 HB ILE 30 0.527 3.729 -1.202 237 HG12 ILE 30 2HG1 ILE 30 1.248 1.635 -3.279 238 HG13 ILE 30 1HG1 ILE 30 2.390 2.709 -2.478 239 HG21 ILE 30 1HG2 ILE 30 -1.270 1.979 -2.890 240 HG22 ILE 30 2HG2 ILE 30 -1.787 3.218 -1.746 241 HG23 ILE 30 3HG2 ILE 30 -0.962 1.772 -1.165 242 HD11 ILE 30 3HD1 ILE 30 2.442 0.501 -1.501 243 HD12 ILE 30 1HD1 ILE 30 0.717 0.591 -1.146 244 HD13 ILE 30 2HD1 ILE 30 1.846 1.677 -0.331 245 H ALA 31 H ALA 31 0.165 6.138 -1.589 246 HA ALA 31 HA ALA 31 -2.570 6.704 -1.466 247 HB1 ALA 31 3HB ALA 31 -0.941 7.508 0.180 248 HB2 ALA 31 1HB ALA 31 -1.930 8.829 -0.447 249 HB3 ALA 31 2HB ALA 31 -0.273 8.617 -1.020 250 H ASP 32 H ASP 32 -0.058 8.100 -3.542 251 HA ASP 32 HA ASP 32 -1.654 10.000 -4.865 252 HB2 ASP 32 2HB ASP 32 0.747 10.118 -4.991 253 HB3 ASP 32 1HB ASP 32 0.835 8.530 -5.746 254 H ALA 33 H ALA 33 -0.847 6.642 -5.760 255 HA ALA 33 HA ALA 33 -2.323 6.627 -8.185 256 HB1 ALA 33 3HB ALA 33 -0.516 5.038 -7.727 257 HB2 ALA 33 1HB ALA 33 -2.014 4.206 -8.140 258 HB3 ALA 33 2HB ALA 33 -1.489 4.294 -6.459 259 H ALA 34 H ALA 34 -3.235 6.089 -4.864 260 HA ALA 34 HA ALA 34 -5.847 4.997 -5.564 261 HB1 ALA 34 3HB ALA 34 -6.209 4.823 -3.163 262 HB2 ALA 34 1HB ALA 34 -4.721 5.723 -2.857 263 HB3 ALA 34 2HB ALA 34 -4.649 4.127 -3.606 264 H GLY 35 H GLY 35 -4.449 8.075 -4.934 265 HA2 GLY 35 2HA GLY 35 -5.370 10.189 -4.883 266 HA3 GLY 35 1HA GLY 35 -6.931 9.472 -5.250 267 H LEU 36 H LEU 36 -4.899 8.640 -2.500 268 HA LEU 36 HA LEU 36 -6.994 9.661 -0.679 269 HB2 LEU 36 2HB LEU 36 -5.145 7.292 -0.362 270 HB3 LEU 36 1HB LEU 36 -6.231 7.874 0.885 271 HG LEU 36 HG LEU 36 -7.116 6.811 -1.806 272 HD11 LEU 36 1HD1 LEU 36 -6.115 5.048 -0.447 273 HD12 LEU 36 2HD1 LEU 36 -7.859 4.833 -0.564 274 HD13 LEU 36 3HD1 LEU 36 -7.150 5.487 0.910 275 HD21 LEU 36 3HD2 LEU 36 -8.672 8.443 -0.840 276 HD22 LEU 36 1HD2 LEU 36 -8.704 7.530 0.670 277 HD23 LEU 36 2HD2 LEU 36 -9.356 6.817 -0.808 278 H SER 37 H SER 37 -5.953 9.700 1.687 279 HA SER 37 HA SER 37 -3.871 11.721 1.582 280 HB2 SER 37 2HB SER 37 -5.375 10.571 3.953 281 HB3 SER 37 1HB SER 37 -4.313 11.978 3.995 282 HG SER 37 HG SER 37 -6.076 13.039 3.546 283 H ILE 38 H ILE 38 -1.831 11.572 2.513 284 HA ILE 38 HA ILE 38 -0.476 9.175 2.096 285 HB ILE 38 HB ILE 38 0.458 11.473 3.832 286 HG12 ILE 38 2HG1 ILE 38 -0.239 12.233 1.587 287 HG13 ILE 38 1HG1 ILE 38 1.505 12.363 1.795 288 HG21 ILE 38 1HG2 ILE 38 1.820 9.460 4.109 289 HG22 ILE 38 2HG2 ILE 38 2.721 10.706 3.248 290 HG23 ILE 38 3HG2 ILE 38 2.031 9.345 2.363 291 HD11 ILE 38 3HD1 ILE 38 0.956 11.545 -0.411 292 HD12 ILE 38 1HD1 ILE 38 0.054 10.199 0.284 293 HD13 ILE 38 2HD1 ILE 38 1.800 10.299 0.508 294 H TYR 39 H TYR 39 -1.101 10.702 5.285 295 HA TYR 39 HA TYR 39 -0.013 8.621 6.825 296 HB2 TYR 39 2HB TYR 39 -0.544 10.976 7.592 297 HB3 TYR 39 1HB TYR 39 -2.227 10.483 7.719 298 HD1 TYR 39 HD2 TYR 39 1.177 9.541 8.930 299 HD2 TYR 39 HD1 TYR 39 -3.003 9.597 9.753 300 HE1 TYR 39 HE2 TYR 39 1.619 8.735 11.209 301 HE2 TYR 39 HE1 TYR 39 -2.567 8.789 12.035 302 HH TYR 39 HH TYR 39 -0.883 7.642 13.304 303 H GLN 40 H GLN 40 -3.339 9.171 5.734 304 HA GLN 40 HA GLN 40 -4.624 7.115 7.121 305 HB2 GLN 40 2HB GLN 40 -5.807 8.862 5.842 306 HB3 GLN 40 1HB GLN 40 -5.220 8.166 4.340 307 HG2 GLN 40 2HG GLN 40 -7.484 7.493 4.644 308 HG3 GLN 40 1HG GLN 40 -6.457 6.081 4.886 309 HE21 GLN 40 1HE2 GLN 40 -8.611 8.334 6.371 310 HE22 GLN 40 2HE2 GLN 40 -8.781 7.501 7.874 311 H VAL 41 H VAL 41 -3.262 7.030 3.817 312 HA VAL 41 HA VAL 41 -3.622 4.301 3.310 313 HB VAL 41 HB VAL 41 -1.514 6.209 2.279 314 HG11 VAL 41 1HG1 VAL 41 -0.649 3.959 2.030 315 HG12 VAL 41 2HG1 VAL 41 -1.153 4.571 0.454 316 HG13 VAL 41 3HG1 VAL 41 -2.170 3.416 1.318 317 HG21 VAL 41 3HG2 VAL 41 -3.825 6.787 1.710 318 HG22 VAL 41 1HG2 VAL 41 -4.072 5.172 1.048 319 HG23 VAL 41 2HG2 VAL 41 -2.930 6.276 0.280 320 H ARG 42 H ARG 42 -0.840 5.992 4.727 321 HA ARG 42 HA ARG 42 0.918 3.901 5.124 322 HB2 ARG 42 2HB ARG 42 1.536 6.186 5.601 323 HB3 ARG 42 1HB ARG 42 0.333 6.297 6.875 324 HG2 ARG 42 2HG ARG 42 1.584 4.709 8.232 325 HG3 ARG 42 1HG ARG 42 2.774 4.524 6.940 326 HD2 ARG 42 2HD ARG 42 3.453 6.820 7.153 327 HD3 ARG 42 1HD ARG 42 2.143 7.153 8.286 328 HE ARG 42 HE ARG 42 3.749 5.105 9.337 329 HH11 ARG 42 1HH1 ARG 42 3.943 8.481 8.638 330 HH12 ARG 42 2HH1 ARG 42 5.060 8.790 9.917 331 HH21 ARG 42 1HH2 ARG 42 5.173 5.515 10.961 332 HH22 ARG 42 2HH2 ARG 42 5.748 7.125 11.228 333 H LEU 43 H LEU 43 -1.879 4.804 7.108 334 HA LEU 43 HA LEU 43 -1.450 2.931 9.188 335 HB2 LEU 43 2HB LEU 43 -4.022 4.178 8.205 336 HB3 LEU 43 1HB LEU 43 -3.847 3.292 9.711 337 HG LEU 43 HG LEU 43 -2.396 5.862 9.038 338 HD11 LEU 43 1HD1 LEU 43 -4.788 6.236 9.313 339 HD12 LEU 43 2HD1 LEU 43 -3.875 6.913 10.663 340 HD13 LEU 43 3HD1 LEU 43 -4.749 5.393 10.864 341 HD21 LEU 43 3HD2 LEU 43 -1.732 5.865 11.383 342 HD22 LEU 43 1HD2 LEU 43 -1.143 4.416 10.568 343 HD23 LEU 43 2HD2 LEU 43 -2.547 4.320 11.631 344 H TYR 44 H TYR 44 -3.411 2.719 6.199 345 HA TYR 44 HA TYR 44 -4.400 0.106 6.632 346 HB2 TYR 44 2HB TYR 44 -3.840 1.541 4.024 347 HB3 TYR 44 1HB TYR 44 -4.714 0.020 4.149 348 HD1 TYR 44 HD2 TYR 44 -6.793 0.098 5.831 349 HD2 TYR 44 HD1 TYR 44 -5.075 3.491 3.912 350 HE1 TYR 44 HE2 TYR 44 -8.901 1.330 6.122 351 HE2 TYR 44 HE1 TYR 44 -7.179 4.718 4.193 352 HH TYR 44 HH TYR 44 -9.450 4.411 4.588 353 H LEU 45 H LEU 45 -1.434 1.253 5.088 354 HA LEU 45 HA LEU 45 -0.518 -1.255 4.160 355 HB2 LEU 45 2HB LEU 45 1.070 1.203 4.917 356 HB3 LEU 45 1HB LEU 45 1.678 -0.149 3.977 357 HG LEU 45 HG LEU 45 -0.588 1.663 3.115 358 HD11 LEU 45 1HD1 LEU 45 2.286 1.609 2.207 359 HD12 LEU 45 2HD1 LEU 45 1.517 2.877 3.162 360 HD13 LEU 45 3HD1 LEU 45 0.997 2.586 1.502 361 HD21 LEU 45 3HD2 LEU 45 -0.757 -0.591 2.196 362 HD22 LEU 45 1HD2 LEU 45 0.906 -0.490 1.615 363 HD23 LEU 45 2HD2 LEU 45 -0.331 0.571 0.941 364 H GLU 46 H GLU 46 0.160 0.531 7.168 365 HA GLU 46 HA GLU 46 1.966 -1.364 8.231 366 HB2 GLU 46 2HB GLU 46 0.573 1.036 9.226 367 HB3 GLU 46 1HB GLU 46 0.962 -0.145 10.470 368 HG2 GLU 46 2HG GLU 46 2.941 1.048 8.529 369 HG3 GLU 46 1HG GLU 46 2.709 1.564 10.199 370 H GLN 47 H GLN 47 -1.577 -1.071 8.594 371 HA GLN 47 HA GLN 47 -1.783 -3.126 10.552 372 HB2 GLN 47 2HB GLN 47 -4.156 -3.149 10.124 373 HB3 GLN 47 1HB GLN 47 -3.599 -1.482 10.108 374 HG2 GLN 47 2HG GLN 47 -3.630 -1.488 7.668 375 HG3 GLN 47 1HG GLN 47 -4.166 -3.166 7.673 376 HE21 GLN 47 1HE2 GLN 47 -6.276 -3.631 8.351 377 HE22 GLN 47 2HE2 GLN 47 -7.500 -2.421 8.428 378 H LEU 48 H LEU 48 -1.860 -3.180 7.002 379 HA LEU 48 HA LEU 48 -2.303 -5.979 6.740 380 HB2 LEU 48 2HB LEU 48 -0.982 -3.983 4.901 381 HB3 LEU 48 1HB LEU 48 -1.260 -5.660 4.462 382 HG LEU 48 HG LEU 48 -3.410 -3.643 5.136 383 HD11 LEU 48 1HD1 LEU 48 -2.596 -4.847 2.492 384 HD12 LEU 48 2HD1 LEU 48 -2.341 -3.177 3.000 385 HD13 LEU 48 3HD1 LEU 48 -3.979 -3.785 2.764 386 HD21 LEU 48 3HD2 LEU 48 -4.972 -5.380 4.407 387 HD22 LEU 48 1HD2 LEU 48 -4.028 -5.918 5.793 388 HD23 LEU 48 2HD2 LEU 48 -3.632 -6.502 4.177 389 H HIS 49 H HIS 49 0.615 -4.006 7.007 390 HA HIS 49 HA HIS 49 2.490 -6.127 6.787 391 HB2 HIS 49 2HB HIS 49 3.146 -3.813 6.437 392 HB3 HIS 49 1HB HIS 49 2.688 -3.398 8.083 393 HD1 HIS 49 HD1 HIS 49 4.790 -2.858 9.244 394 HD2 HIS 49 HD2 HIS 49 5.172 -6.255 6.880 395 HE1 HIS 49 HE1 HIS 49 7.099 -3.730 9.688 396 HE2 HIS 49 HE2 HIS 49 7.222 -5.896 8.416 397 H ASP 50 H ASP 50 0.434 -5.060 9.346 398 HA ASP 50 HA ASP 50 1.910 -6.352 11.471 399 HB2 ASP 50 2HB ASP 50 0.600 -4.319 11.897 400 HB3 ASP 50 1HB ASP 50 -0.874 -5.152 11.418 401 H VAL 51 H VAL 51 -1.212 -6.956 9.818 402 HA VAL 51 HA VAL 51 -1.739 -9.371 11.237 403 HB VAL 51 HB VAL 51 -3.570 -9.735 9.645 404 HG11 VAL 51 1HG1 VAL 51 -3.937 -8.234 11.530 405 HG12 VAL 51 2HG1 VAL 51 -4.843 -7.687 10.122 406 HG13 VAL 51 3HG1 VAL 51 -3.352 -6.867 10.582 407 HG21 VAL 51 3HG2 VAL 51 -2.461 -8.980 7.597 408 HG22 VAL 51 1HG2 VAL 51 -2.481 -7.319 8.188 409 HG23 VAL 51 2HG2 VAL 51 -3.997 -8.145 7.829 410 H GLY 52 H GLY 52 -0.078 -8.728 8.190 411 HA2 GLY 52 2HA GLY 52 1.647 -10.400 7.616 412 HA3 GLY 52 1HA GLY 52 0.464 -11.640 7.992 413 H VAL 53 H VAL 53 0.070 -8.700 6.024 414 HA VAL 53 HA VAL 53 -0.455 -10.415 3.669 415 HB VAL 53 HB VAL 53 -1.595 -7.662 4.238 416 HG11 VAL 53 1HG1 VAL 53 -2.133 -9.556 1.940 417 HG12 VAL 53 2HG1 VAL 53 -1.270 -8.021 1.844 418 HG13 VAL 53 3HG1 VAL 53 -2.987 -8.043 2.246 419 HG21 VAL 53 3HG2 VAL 53 -3.752 -8.833 4.445 420 HG22 VAL 53 1HG2 VAL 53 -2.595 -9.347 5.676 421 HG23 VAL 53 2HG2 VAL 53 -2.917 -10.379 4.281 422 H LEU 54 H LEU 54 1.051 -7.416 4.797 423 HA LEU 54 HA LEU 54 2.514 -7.218 2.238 424 HB2 LEU 54 2HB LEU 54 1.974 -5.085 4.313 425 HB3 LEU 54 1HB LEU 54 2.973 -4.858 2.892 426 HG LEU 54 HG LEU 54 0.001 -5.411 2.910 427 HD11 LEU 54 1HD1 LEU 54 0.571 -3.148 3.612 428 HD12 LEU 54 2HD1 LEU 54 -0.186 -3.140 2.022 429 HD13 LEU 54 3HD1 LEU 54 1.559 -2.931 2.167 430 HD21 LEU 54 3HD2 LEU 54 1.877 -4.970 0.580 431 HD22 LEU 54 1HD2 LEU 54 0.116 -5.041 0.480 432 HD23 LEU 54 2HD2 LEU 54 1.026 -6.466 0.976 433 H GLU 55 H GLU 55 4.683 -7.382 2.212 434 HA GLU 55 HA GLU 55 6.150 -7.554 4.767 435 HB2 GLU 55 2HB GLU 55 6.394 -9.432 3.121 436 HB3 GLU 55 1HB GLU 55 7.076 -8.288 1.971 437 HG2 GLU 55 2HG GLU 55 8.855 -7.802 3.716 438 HG3 GLU 55 1HG GLU 55 8.240 -9.206 4.586 439 H LYS 56 H LYS 56 7.714 -6.026 5.285 440 HA LYS 56 HA LYS 56 7.873 -3.715 3.489 441 HB2 LYS 56 2HB LYS 56 8.491 -2.405 5.305 442 HB3 LYS 56 1HB LYS 56 7.417 -3.579 6.053 443 HG2 LYS 56 2HG LYS 56 9.335 -4.851 6.856 444 HG3 LYS 56 1HG LYS 56 10.434 -3.726 6.058 445 HD2 LYS 56 2HD LYS 56 9.454 -1.903 7.486 446 HD3 LYS 56 1HD LYS 56 8.582 -3.155 8.374 447 HE2 LYS 56 2HE LYS 56 11.575 -2.858 8.115 448 HE3 LYS 56 1HE LYS 56 10.611 -2.594 9.564 449 HZ1 LYS 56 3HZ LYS 56 11.710 -4.733 9.630 450 HZ2 LYS 56 1HZ LYS 56 10.985 -5.196 8.174 451 HZ3 LYS 56 2HZ LYS 56 10.036 -4.951 9.549 452 H VAL 57 H VAL 57 9.746 -2.960 2.602 453 HA VAL 57 HA VAL 57 12.154 -4.632 2.845 454 HB VAL 57 HB VAL 57 11.649 -2.466 0.792 455 HG11 VAL 57 1HG1 VAL 57 13.990 -3.077 1.081 456 HG12 VAL 57 2HG1 VAL 57 13.388 -3.616 -0.489 457 HG13 VAL 57 3HG1 VAL 57 13.589 -4.777 0.824 458 HG21 VAL 57 3HG2 VAL 57 9.891 -4.149 0.583 459 HG22 VAL 57 1HG2 VAL 57 11.107 -5.426 0.507 460 HG23 VAL 57 2HG2 VAL 57 11.003 -4.225 -0.783 461 H ASN 58 H ASN 58 14.133 -3.694 3.408 462 HA ASN 58 HA ASN 58 15.579 -2.281 4.448 463 HB2 ASN 58 2HB ASN 58 13.497 -0.121 4.029 464 HB3 ASN 58 1HB ASN 58 15.147 0.135 4.579 465 HD21 ASN 58 1HD2 ASN 58 13.793 1.189 2.246 466 HD22 ASN 58 2HD2 ASN 58 14.753 0.714 0.893 467 H ALA 59 H ALA 59 15.832 -1.079 6.539 468 HA ALA 59 HA ALA 59 14.501 -2.486 8.597 469 HB1 ALA 59 3HB ALA 59 16.809 -1.674 8.785 470 HB2 ALA 59 1HB ALA 59 15.811 -1.134 10.138 471 HB3 ALA 59 2HB ALA 59 16.215 -0.012 8.835 472 H GLY 60 H GLY 60 13.586 0.404 6.978 473 HA2 GLY 60 2HA GLY 60 11.623 1.626 7.237 474 HA3 GLY 60 1HA GLY 60 11.262 0.696 8.681 475 H LYS 61 H LYS 61 13.641 1.271 10.140 476 HA LYS 61 HA LYS 61 13.120 3.929 11.087 477 HB2 LYS 61 2HB LYS 61 15.397 2.053 11.780 478 HB3 LYS 61 1HB LYS 61 14.965 3.513 12.659 479 HG2 LYS 61 2HG LYS 61 12.759 2.488 13.178 480 HG3 LYS 61 1HG LYS 61 13.309 1.004 12.397 481 HD2 LYS 61 2HD LYS 61 13.595 0.831 14.805 482 HD3 LYS 61 1HD LYS 61 15.171 0.863 14.010 483 HE2 LYS 61 2HE LYS 61 15.379 3.256 14.536 484 HE3 LYS 61 1HE LYS 61 13.811 3.213 15.339 485 HZ1 LYS 61 3HZ LYS 61 15.578 3.070 16.941 486 HZ2 LYS 61 1HZ LYS 61 16.243 1.723 16.164 487 HZ3 LYS 61 2HZ LYS 61 14.734 1.608 16.913 488 H GLY 62 H GLY 62 13.924 5.763 10.248 489 HA2 GLY 62 2HA GLY 62 15.429 7.251 9.302 490 HA3 GLY 62 1HA GLY 62 16.649 5.988 9.341 491 H VAL 63 H VAL 63 16.016 4.110 7.710 492 HA VAL 63 HA VAL 63 16.015 5.270 5.084 493 HB VAL 63 HB VAL 63 16.232 2.966 4.266 494 HG11 VAL 63 1HG1 VAL 63 17.972 3.526 6.673 495 HG12 VAL 63 2HG1 VAL 63 18.240 4.117 5.032 496 HG13 VAL 63 3HG1 VAL 63 18.348 2.391 5.373 497 HG21 VAL 63 3HG2 VAL 63 15.826 2.162 7.154 498 HG22 VAL 63 1HG2 VAL 63 16.299 1.077 5.842 499 HG23 VAL 63 2HG2 VAL 63 14.715 1.853 5.817 500 HA PRO 64 HA PRO 64 11.709 5.136 4.093 501 HB2 PRO 64 2HB PRO 64 11.735 4.491 1.441 502 HB3 PRO 64 1HB PRO 64 12.212 6.077 2.058 503 HG2 PRO 64 2HG PRO 64 13.945 3.749 1.288 504 HG3 PRO 64 1HG PRO 64 14.148 5.468 0.894 505 HD2 PRO 64 2HD PRO 64 15.540 4.293 2.880 506 HD3 PRO 64 1HD PRO 64 14.989 5.977 3.001 507 H GLY 65 H GLY 65 10.374 3.601 4.860 508 HA2 GLY 65 2HA GLY 65 10.799 0.790 4.471 509 HA3 GLY 65 1HA GLY 65 9.398 1.536 5.224 510 H LEU 66 H LEU 66 10.537 -0.108 2.510 511 HA LEU 66 HA LEU 66 8.461 0.882 0.702 512 HB2 LEU 66 2HB LEU 66 10.470 -1.317 0.211 513 HB3 LEU 66 1HB LEU 66 9.502 -0.486 -0.987 514 HG LEU 66 HG LEU 66 11.740 0.740 0.638 515 HD11 LEU 66 1HD1 LEU 66 12.551 -0.795 -1.066 516 HD12 LEU 66 2HD1 LEU 66 12.917 0.874 -1.501 517 HD13 LEU 66 3HD1 LEU 66 11.586 0.028 -2.293 518 HD21 LEU 66 3HD2 LEU 66 10.036 1.958 -1.542 519 HD22 LEU 66 1HD2 LEU 66 11.432 2.717 -0.770 520 HD23 LEU 66 2HD2 LEU 66 9.981 2.373 0.173 521 H TRP 67 H TRP 67 6.745 -0.369 -0.075 522 HA TRP 67 HA TRP 67 6.048 -2.666 1.635 523 HB2 TRP 67 2HB TRP 67 4.171 -0.969 -0.029 524 HB3 TRP 67 1HB TRP 67 3.734 -2.134 1.219 525 HD1 TRP 67 HD1 TRP 67 4.647 1.471 0.724 526 HE1 TRP 67 HE1 TRP 67 4.643 2.686 2.990 527 HE3 TRP 67 HE3 TRP 67 4.312 -2.586 3.822 528 HZ2 TRP 67 HZ2 TRP 67 4.526 2.017 5.728 529 HZ3 TRP 67 HZ3 TRP 67 4.269 -2.207 6.254 530 HH2 TRP 67 HH2 TRP 67 4.374 0.046 7.184 531 H ARG 68 H ARG 68 5.957 -4.658 0.760 532 HA ARG 68 HA ARG 68 5.034 -4.932 -2.008 533 HB2 ARG 68 2HB ARG 68 6.737 -6.531 -2.612 534 HB3 ARG 68 1HB ARG 68 7.516 -5.054 -2.071 535 HG2 ARG 68 2HG ARG 68 7.996 -6.101 0.096 536 HG3 ARG 68 1HG ARG 68 7.206 -7.582 -0.447 537 HD2 ARG 68 2HD ARG 68 8.887 -7.582 -2.375 538 HD3 ARG 68 1HD ARG 68 9.757 -6.343 -1.474 539 HE ARG 68 HE ARG 68 9.610 -8.194 0.387 540 HH11 ARG 68 1HH1 ARG 68 10.371 -8.567 -2.963 541 HH12 ARG 68 2HH1 ARG 68 11.254 -10.029 -2.700 542 HH21 ARG 68 1HH2 ARG 68 10.747 -10.053 0.693 543 HH22 ARG 68 2HH2 ARG 68 11.470 -10.855 -0.657 544 H LEU 69 H LEU 69 3.328 -6.255 -2.052 545 HA LEU 69 HA LEU 69 2.593 -7.888 0.151 546 HB2 LEU 69 2HB LEU 69 0.787 -8.733 -1.374 547 HB3 LEU 69 1HB LEU 69 0.831 -6.999 -1.149 548 HG LEU 69 HG LEU 69 2.075 -6.876 -3.383 549 HD11 LEU 69 1HD1 LEU 69 1.659 -8.721 -4.948 550 HD12 LEU 69 2HD1 LEU 69 1.032 -9.699 -3.619 551 HD13 LEU 69 3HD1 LEU 69 2.723 -9.197 -3.627 552 HD21 LEU 69 3HD2 LEU 69 0.004 -6.952 -4.657 553 HD22 LEU 69 1HD2 LEU 69 -0.248 -6.196 -3.084 554 HD23 LEU 69 2HD2 LEU 69 -0.778 -7.858 -3.359 555 H LEU 70 H LEU 70 2.155 -10.229 0.047 556 HA LEU 70 HA LEU 70 3.932 -11.717 -1.757 557 HB2 LEU 70 2HB LEU 70 4.799 -13.083 0.089 558 HB3 LEU 70 1HB LEU 70 5.273 -11.403 0.221 559 HG LEU 70 HG LEU 70 2.970 -12.556 1.809 560 HD11 LEU 70 1HD1 LEU 70 4.532 -12.769 3.691 561 HD12 LEU 70 2HD1 LEU 70 5.872 -12.339 2.627 562 HD13 LEU 70 3HD1 LEU 70 4.975 -13.834 2.356 563 HD21 LEU 70 3HD2 LEU 70 3.387 -10.627 3.263 564 HD22 LEU 70 1HD2 LEU 70 3.021 -10.115 1.617 565 HD23 LEU 70 2HD2 LEU 70 4.688 -10.098 2.195 566 H GLU 71 H GLU 71 1.064 -11.434 -1.743 567 HA GLU 71 HA GLU 71 -0.218 -13.711 -0.646 568 HB2 GLU 71 2HB GLU 71 -0.954 -11.863 -2.917 569 HB3 GLU 71 1HB GLU 71 -1.970 -13.223 -2.460 570 HG2 GLU 71 2HG GLU 71 -2.027 -12.228 -0.128 571 HG3 GLU 71 1HG GLU 71 -1.285 -10.790 -0.830 Start of MODEL 13 1 H1 MET 1 1H MET 1 -18.633 4.606 4.236 2 H2 MET 1 2H MET 1 -17.281 5.617 4.283 3 H3 MET 1 3H MET 1 -17.197 4.070 4.959 4 HA MET 1 HA MET 1 -17.555 4.708 2.085 5 HB2 MET 1 2HB MET 1 -15.177 3.662 3.636 6 HB3 MET 1 1HB MET 1 -15.293 3.573 1.885 7 HG2 MET 1 2HG MET 1 -15.441 6.020 1.778 8 HG3 MET 1 1HG MET 1 -15.297 6.094 3.536 9 HE1 MET 1 3HE MET 1 -13.253 7.849 3.052 10 HE2 MET 1 1HE MET 1 -13.410 7.588 1.315 11 HE3 MET 1 2HE MET 1 -11.834 7.424 2.093 12 H SER 2 H SER 2 -18.595 3.176 0.987 13 HA SER 2 HA SER 2 -18.816 0.452 2.044 14 HB2 SER 2 2HB SER 2 -20.454 0.108 0.242 15 HB3 SER 2 1HB SER 2 -20.848 1.560 1.159 16 HG SER 2 HG SER 2 -20.316 1.304 -1.462 17 H GLU 3 H GLU 3 -17.044 2.251 -0.275 18 HA GLU 3 HA GLU 3 -16.375 0.271 -2.162 19 HB2 GLU 3 2HB GLU 3 -14.765 2.668 -1.248 20 HB3 GLU 3 1HB GLU 3 -14.472 1.747 -2.719 21 HG2 GLU 3 2HG GLU 3 -16.518 2.475 -3.686 22 HG3 GLU 3 1HG GLU 3 -17.069 3.169 -2.160 23 H SER 4 H SER 4 -14.863 -1.321 -2.212 24 HA SER 4 HA SER 4 -13.487 -2.103 0.186 25 HB2 SER 4 2HB SER 4 -13.176 -3.174 -2.637 26 HB3 SER 4 1HB SER 4 -12.591 -3.952 -1.166 27 HG SER 4 HG SER 4 -14.546 -4.636 -0.739 28 H ILE 5 H ILE 5 -12.426 0.161 0.217 29 HA ILE 5 HA ILE 5 -10.397 0.877 -1.576 30 HB ILE 5 HB ILE 5 -11.381 2.492 -0.035 31 HG12 ILE 5 2HG1 ILE 5 -9.291 3.623 0.716 32 HG13 ILE 5 1HG1 ILE 5 -8.393 2.152 0.359 33 HG21 ILE 5 1HG2 ILE 5 -11.664 1.082 1.923 34 HG22 ILE 5 2HG2 ILE 5 -10.770 2.543 2.340 35 HG23 ILE 5 3HG2 ILE 5 -9.914 1.013 2.151 36 HD11 ILE 5 3HD1 ILE 5 -8.148 3.791 -1.413 37 HD12 ILE 5 1HD1 ILE 5 -9.897 3.832 -1.639 38 HD13 ILE 5 2HD1 ILE 5 -8.996 2.360 -1.999 39 H VAL 6 H VAL 6 -10.241 -1.060 1.391 40 HA VAL 6 HA VAL 6 -7.456 -1.286 1.627 41 HB VAL 6 HB VAL 6 -9.504 -3.415 2.306 42 HG11 VAL 6 1HG1 VAL 6 -7.241 -4.294 2.316 43 HG12 VAL 6 2HG1 VAL 6 -7.837 -4.157 3.970 44 HG13 VAL 6 3HG1 VAL 6 -6.698 -2.965 3.340 45 HG21 VAL 6 3HG2 VAL 6 -10.097 -1.297 3.360 46 HG22 VAL 6 1HG2 VAL 6 -8.463 -1.139 4.008 47 HG23 VAL 6 2HG2 VAL 6 -9.513 -2.441 4.569 48 H THR 7 H THR 7 -9.765 -3.358 -0.114 49 HA THR 7 HA THR 7 -7.918 -5.179 -1.204 50 HB THR 7 HB THR 7 -10.523 -4.278 -2.470 51 HG1 THR 7 HG1 THR 7 -11.229 -6.304 -1.290 52 HG21 THR 7 3HG2 THR 7 -8.992 -6.880 -2.710 53 HG22 THR 7 1HG2 THR 7 -9.086 -5.626 -3.950 54 HG23 THR 7 2HG2 THR 7 -10.537 -6.511 -3.479 55 H LYS 8 H LYS 8 -9.130 -2.069 -2.407 56 HA LYS 8 HA LYS 8 -7.888 -2.098 -4.925 57 HB2 LYS 8 2HB LYS 8 -9.633 -0.479 -4.318 58 HB3 LYS 8 1HB LYS 8 -8.543 0.273 -3.157 59 HG2 LYS 8 2HG LYS 8 -7.069 0.986 -4.945 60 HG3 LYS 8 1HG LYS 8 -8.074 0.155 -6.137 61 HD2 LYS 8 2HD LYS 8 -9.958 1.634 -5.565 62 HD3 LYS 8 1HD LYS 8 -8.939 2.471 -4.390 63 HE2 LYS 8 2HE LYS 8 -7.461 3.232 -6.158 64 HE3 LYS 8 1HE LYS 8 -8.361 2.297 -7.354 65 HZ1 LYS 8 3HZ LYS 8 -10.300 3.674 -6.902 66 HZ2 LYS 8 1HZ LYS 8 -8.992 4.613 -7.412 67 HZ3 LYS 8 2HZ LYS 8 -9.422 4.576 -5.778 68 H ILE 9 H ILE 9 -6.743 -0.795 -1.809 69 HA ILE 9 HA ILE 9 -4.257 0.175 -2.605 70 HB ILE 9 HB ILE 9 -5.070 -1.095 0.021 71 HG12 ILE 9 2HG1 ILE 9 -4.775 1.810 -0.804 72 HG13 ILE 9 1HG1 ILE 9 -6.302 0.952 -0.627 73 HG21 ILE 9 1HG2 ILE 9 -3.093 -0.001 1.005 74 HG22 ILE 9 2HG2 ILE 9 -2.576 0.494 -0.608 75 HG23 ILE 9 3HG2 ILE 9 -2.646 -1.220 -0.192 76 HD11 ILE 9 3HD1 ILE 9 -4.330 1.537 1.571 77 HD12 ILE 9 1HD1 ILE 9 -5.843 0.650 1.756 78 HD13 ILE 9 2HD1 ILE 9 -5.872 2.352 1.293 79 H ILE 10 H ILE 10 -5.051 -3.102 -1.406 80 HA ILE 10 HA ILE 10 -2.515 -4.251 -1.749 81 HB ILE 10 HB ILE 10 -5.218 -5.595 -2.021 82 HG12 ILE 10 2HG1 ILE 10 -3.400 -5.330 0.397 83 HG13 ILE 10 1HG1 ILE 10 -4.891 -4.430 0.145 84 HG21 ILE 10 1HG2 ILE 10 -2.508 -6.820 -1.470 85 HG22 ILE 10 2HG2 ILE 10 -3.421 -6.959 -2.974 86 HG23 ILE 10 3HG2 ILE 10 -4.051 -7.678 -1.491 87 HD11 ILE 10 3HD1 ILE 10 -5.210 -6.286 1.683 88 HD12 ILE 10 1HD1 ILE 10 -4.674 -7.421 0.446 89 HD13 ILE 10 2HD1 ILE 10 -6.166 -6.508 0.217 90 H SER 11 H SER 11 -5.209 -3.919 -4.039 91 HA SER 11 HA SER 11 -4.059 -5.318 -6.204 92 HB2 SER 11 2HB SER 11 -6.450 -4.702 -6.121 93 HB3 SER 11 1HB SER 11 -6.016 -3.001 -6.292 94 HG SER 11 HG SER 11 -4.923 -3.783 -8.323 95 H ILE 12 H ILE 12 -3.770 -1.949 -5.165 96 HA ILE 12 HA ILE 12 -2.272 -0.990 -7.373 97 HB ILE 12 HB ILE 12 -2.253 -0.049 -4.490 98 HG12 ILE 12 2HG1 ILE 12 -3.755 1.099 -6.863 99 HG13 ILE 12 1HG1 ILE 12 -4.474 0.003 -5.690 100 HG21 ILE 12 1HG2 ILE 12 -0.263 0.717 -5.674 101 HG22 ILE 12 2HG2 ILE 12 -1.361 2.063 -5.365 102 HG23 ILE 12 3HG2 ILE 12 -1.267 1.354 -6.979 103 HD11 ILE 12 3HD1 ILE 12 -5.046 2.315 -5.224 104 HD12 ILE 12 1HD1 ILE 12 -3.334 2.724 -5.082 105 HD13 ILE 12 2HD1 ILE 12 -4.079 1.625 -3.919 106 H VAL 13 H VAL 13 -1.305 -2.350 -4.238 107 HA VAL 13 HA VAL 13 1.470 -2.231 -4.509 108 HB VAL 13 HB VAL 13 -0.174 -4.370 -3.118 109 HG11 VAL 13 1HG1 VAL 13 2.102 -5.145 -3.459 110 HG12 VAL 13 2HG1 VAL 13 1.846 -4.762 -1.755 111 HG13 VAL 13 3HG1 VAL 13 2.740 -3.643 -2.786 112 HG21 VAL 13 3HG2 VAL 13 -0.666 -2.119 -2.306 113 HG22 VAL 13 1HG2 VAL 13 1.053 -1.824 -2.046 114 HG23 VAL 13 2HG2 VAL 13 0.212 -3.045 -1.089 115 H GLN 14 H GLN 14 -0.756 -4.841 -5.485 116 HA GLN 14 HA GLN 14 1.141 -6.568 -6.639 117 HB2 GLN 14 2HB GLN 14 -1.238 -7.139 -6.109 118 HB3 GLN 14 1HB GLN 14 -1.746 -6.164 -7.480 119 HG2 GLN 14 2HG GLN 14 -0.452 -7.665 -8.974 120 HG3 GLN 14 1HG GLN 14 -0.072 -8.675 -7.579 121 HE21 GLN 14 1HE2 GLN 14 -1.131 -10.478 -8.374 122 HE22 GLN 14 2HE2 GLN 14 -2.850 -10.567 -8.516 123 H GLU 15 H GLU 15 -0.864 -4.035 -8.131 124 HA GLU 15 HA GLU 15 -0.096 -4.294 -10.789 125 HB2 GLU 15 2HB GLU 15 -1.961 -2.905 -9.893 126 HB3 GLU 15 1HB GLU 15 -0.791 -1.743 -9.300 127 HG2 GLU 15 2HG GLU 15 -0.910 -2.442 -12.214 128 HG3 GLU 15 1HG GLU 15 -2.042 -1.289 -11.516 129 H ARG 16 H ARG 16 1.310 -2.088 -8.353 130 HA ARG 16 HA ARG 16 3.310 -0.967 -9.932 131 HB2 ARG 16 2HB ARG 16 3.308 -1.516 -6.961 132 HB3 ARG 16 1HB ARG 16 4.492 -0.503 -7.772 133 HG2 ARG 16 2HG ARG 16 1.526 0.040 -7.788 134 HG3 ARG 16 1HG ARG 16 2.648 0.724 -6.615 135 HD2 ARG 16 2HD ARG 16 2.386 2.387 -8.254 136 HD3 ARG 16 1HD ARG 16 3.941 1.638 -8.606 137 HE ARG 16 HE ARG 16 1.734 0.519 -10.085 138 HH11 ARG 16 1HH1 ARG 16 4.232 2.891 -10.044 139 HH12 ARG 16 2HH1 ARG 16 4.094 3.217 -11.736 140 HH21 ARG 16 1HH2 ARG 16 1.617 0.881 -12.258 141 HH22 ARG 16 2HH2 ARG 16 2.647 2.070 -12.985 142 H GLN 17 H GLN 17 3.453 -3.958 -7.980 143 HA GLN 17 HA GLN 17 6.213 -4.455 -8.504 144 HB2 GLN 17 2HB GLN 17 4.027 -6.338 -7.594 145 HB3 GLN 17 1HB GLN 17 5.743 -6.732 -7.617 146 HG2 GLN 17 2HG GLN 17 6.195 -4.965 -6.012 147 HG3 GLN 17 1HG GLN 17 4.496 -4.496 -6.023 148 HE21 GLN 17 1HE2 GLN 17 4.187 -4.868 -3.869 149 HE22 GLN 17 2HE2 GLN 17 4.172 -6.443 -3.173 150 H ASN 18 H ASN 18 3.235 -5.370 -10.167 151 HA ASN 18 HA ASN 18 4.304 -7.204 -12.010 152 HB2 ASN 18 2HB ASN 18 2.038 -5.215 -12.314 153 HB3 ASN 18 1HB ASN 18 2.401 -6.474 -13.491 154 HD21 ASN 18 1HD2 ASN 18 0.049 -5.988 -11.768 155 HD22 ASN 18 2HD2 ASN 18 -0.197 -7.470 -10.924 156 H MET 19 H MET 19 4.343 -3.688 -11.944 157 HA MET 19 HA MET 19 5.311 -3.200 -14.540 158 HB2 MET 19 2HB MET 19 5.706 -1.644 -11.976 159 HB3 MET 19 1HB MET 19 6.197 -1.055 -13.560 160 HG2 MET 19 2HG MET 19 3.382 -1.751 -12.736 161 HG3 MET 19 1HG MET 19 4.052 -0.124 -12.883 162 HE1 MET 19 3HE MET 19 4.774 0.083 -16.745 163 HE2 MET 19 1HE MET 19 5.889 -0.437 -15.485 164 HE3 MET 19 2HE MET 19 4.837 0.951 -15.211 165 H ASP 20 H ASP 20 7.031 -4.099 -11.588 166 HA ASP 20 HA ASP 20 9.279 -5.014 -13.136 167 HB2 ASP 20 2HB ASP 20 9.715 -2.525 -12.768 168 HB3 ASP 20 1HB ASP 20 9.855 -2.892 -11.052 169 H ASP 21 H ASP 21 9.481 -6.978 -12.296 170 HA ASP 21 HA ASP 21 8.588 -7.797 -9.772 171 HB2 ASP 21 2HB ASP 21 9.875 -9.897 -10.256 172 HB3 ASP 21 1HB ASP 21 8.804 -9.388 -11.557 173 H GLY 22 H GLY 22 11.518 -6.202 -10.598 174 HA2 GLY 22 2HA GLY 22 12.837 -7.072 -8.109 175 HA3 GLY 22 1HA GLY 22 13.610 -6.225 -9.439 176 H ALA 23 H ALA 23 10.578 -4.899 -8.580 177 HA ALA 23 HA ALA 23 11.919 -2.771 -7.019 178 HB1 ALA 23 3HB ALA 23 11.450 -2.016 -9.292 179 HB2 ALA 23 1HB ALA 23 10.471 -1.135 -8.118 180 HB3 ALA 23 2HB ALA 23 9.746 -2.424 -9.086 181 HA PRO 24 HA PRO 24 8.460 -3.376 -4.208 182 HB2 PRO 24 2HB PRO 24 9.347 -1.369 -2.446 183 HB3 PRO 24 1HB PRO 24 9.773 -3.077 -2.380 184 HG2 PRO 24 2HG PRO 24 11.510 -0.921 -2.964 185 HG3 PRO 24 1HG PRO 24 11.873 -2.646 -3.108 186 HD2 PRO 24 2HD PRO 24 11.101 -0.692 -5.214 187 HD3 PRO 24 1HD PRO 24 12.112 -2.149 -5.334 188 H VAL 25 H VAL 25 6.871 -1.903 -2.998 189 HA VAL 25 HA VAL 25 5.983 0.203 -4.856 190 HB VAL 25 HB VAL 25 4.374 -1.120 -2.660 191 HG11 VAL 25 1HG1 VAL 25 2.444 -0.287 -3.953 192 HG12 VAL 25 2HG1 VAL 25 3.553 0.517 -5.061 193 HG13 VAL 25 3HG1 VAL 25 3.478 1.018 -3.373 194 HG21 VAL 25 3HG2 VAL 25 5.113 -2.822 -4.236 195 HG22 VAL 25 1HG2 VAL 25 4.518 -1.857 -5.587 196 HG23 VAL 25 2HG2 VAL 25 3.384 -2.527 -4.413 197 H LYS 26 H LYS 26 5.741 2.312 -4.204 198 HA LYS 26 HA LYS 26 6.807 3.031 -1.578 199 HB2 LYS 26 2HB LYS 26 5.961 4.816 -3.878 200 HB3 LYS 26 1HB LYS 26 6.762 5.353 -2.412 201 HG2 LYS 26 2HG LYS 26 8.384 5.299 -4.133 202 HG3 LYS 26 1HG LYS 26 8.721 3.936 -3.063 203 HD2 LYS 26 2HD LYS 26 7.937 2.371 -4.614 204 HD3 LYS 26 1HD LYS 26 7.029 3.583 -5.520 205 HE2 LYS 26 2HE LYS 26 10.040 3.456 -5.367 206 HE3 LYS 26 1HE LYS 26 9.072 2.799 -6.687 207 HZ1 LYS 26 3HZ LYS 26 9.853 4.961 -7.297 208 HZ2 LYS 26 1HZ LYS 26 9.254 5.649 -5.871 209 HZ3 LYS 26 2HZ LYS 26 8.183 5.061 -7.037 210 H THR 27 H THR 27 5.646 4.043 0.040 211 HA THR 27 HA THR 27 2.872 3.854 0.254 212 HB THR 27 HB THR 27 4.645 5.913 1.605 213 HG1 THR 27 HG1 THR 27 5.390 3.856 2.098 214 HG21 THR 27 3HG2 THR 27 1.940 4.819 2.418 215 HG22 THR 27 1HG2 THR 27 2.250 6.447 1.805 216 HG23 THR 27 2HG2 THR 27 2.924 5.943 3.355 217 H ARG 28 H ARG 28 4.858 6.480 -1.020 218 HA ARG 28 HA ARG 28 2.871 8.432 -1.400 219 HB2 ARG 28 2HB ARG 28 5.346 7.911 -3.071 220 HB3 ARG 28 1HB ARG 28 4.402 9.391 -3.090 221 HG2 ARG 28 2HG ARG 28 5.932 8.318 -0.720 222 HG3 ARG 28 1HG ARG 28 6.457 9.625 -1.782 223 HD2 ARG 28 2HD ARG 28 4.063 9.614 0.061 224 HD3 ARG 28 1HD ARG 28 5.532 10.574 0.232 225 HE ARG 28 HE ARG 28 3.451 10.973 -1.814 226 HH11 ARG 28 1HH1 ARG 28 6.194 12.144 -0.085 227 HH12 ARG 28 2HH1 ARG 28 5.970 13.770 -0.627 228 HH21 ARG 28 1HH2 ARG 28 3.176 13.058 -2.492 229 HH22 ARG 28 2HH2 ARG 28 4.272 14.284 -1.960 230 H ASP 29 H ASP 29 4.191 6.118 -3.781 231 HA ASP 29 HA ASP 29 2.554 6.638 -5.931 232 HB2 ASP 29 2HB ASP 29 3.675 3.962 -5.045 233 HB3 ASP 29 1HB ASP 29 3.044 4.305 -6.654 234 H ILE 30 H ILE 30 1.927 4.363 -3.258 235 HA ILE 30 HA ILE 30 -0.569 3.425 -4.162 236 HB ILE 30 HB ILE 30 0.426 3.712 -1.317 237 HG12 ILE 30 2HG1 ILE 30 0.480 1.341 -3.209 238 HG13 ILE 30 1HG1 ILE 30 1.870 2.330 -2.774 239 HG21 ILE 30 1HG2 ILE 30 -2.006 3.464 -1.381 240 HG22 ILE 30 2HG2 ILE 30 -1.245 2.009 -0.740 241 HG23 ILE 30 3HG2 ILE 30 -1.847 2.032 -2.398 242 HD11 ILE 30 3HD1 ILE 30 0.264 0.620 -0.889 243 HD12 ILE 30 1HD1 ILE 30 1.666 1.600 -0.459 244 HD13 ILE 30 2HD1 ILE 30 1.850 0.230 -1.555 245 H ALA 31 H ALA 31 0.224 6.146 -1.991 246 HA ALA 31 HA ALA 31 -2.402 6.991 -1.458 247 HB1 ALA 31 3HB ALA 31 -1.399 9.149 -0.848 248 HB2 ALA 31 1HB ALA 31 0.119 8.652 -1.595 249 HB3 ALA 31 2HB ALA 31 -0.491 7.794 -0.179 250 H ASP 32 H ASP 32 -0.309 7.603 -4.202 251 HA ASP 32 HA ASP 32 -1.823 9.672 -5.406 252 HB2 ASP 32 2HB ASP 32 0.515 9.212 -5.994 253 HB3 ASP 32 1HB ASP 32 0.051 7.647 -6.658 254 H ALA 33 H ALA 33 -1.749 6.153 -6.039 255 HA ALA 33 HA ALA 33 -3.859 6.267 -7.979 256 HB1 ALA 33 3HB ALA 33 -2.689 3.882 -6.545 257 HB2 ALA 33 1HB ALA 33 -2.129 4.550 -8.080 258 HB3 ALA 33 2HB ALA 33 -3.732 3.826 -7.967 259 H ALA 34 H ALA 34 -3.774 5.813 -4.514 260 HA ALA 34 HA ALA 34 -6.505 4.824 -4.370 261 HB1 ALA 34 3HB ALA 34 -4.818 3.990 -2.798 262 HB2 ALA 34 1HB ALA 34 -6.160 4.767 -1.959 263 HB3 ALA 34 2HB ALA 34 -4.624 5.616 -2.145 264 H GLY 35 H GLY 35 -4.843 7.888 -4.054 265 HA2 GLY 35 2HA GLY 35 -5.693 10.032 -3.952 266 HA3 GLY 35 1HA GLY 35 -7.303 9.350 -4.126 267 H LEU 36 H LEU 36 -5.072 8.482 -1.551 268 HA LEU 36 HA LEU 36 -6.850 9.814 0.400 269 HB2 LEU 36 2HB LEU 36 -5.179 7.318 0.779 270 HB3 LEU 36 1HB LEU 36 -6.179 8.069 2.008 271 HG LEU 36 HG LEU 36 -7.186 6.789 -0.542 272 HD11 LEU 36 1HD1 LEU 36 -6.376 5.140 1.041 273 HD12 LEU 36 2HD1 LEU 36 -8.137 5.098 0.961 274 HD13 LEU 36 3HD1 LEU 36 -7.336 5.871 2.330 275 HD21 LEU 36 3HD2 LEU 36 -8.612 8.641 0.098 276 HD22 LEU 36 1HD2 LEU 36 -8.696 8.043 1.756 277 HD23 LEU 36 2HD2 LEU 36 -9.424 7.116 0.445 278 H SER 37 H SER 37 -5.739 10.367 2.505 279 HA SER 37 HA SER 37 -3.431 11.967 2.001 280 HB2 SER 37 2HB SER 37 -3.502 12.518 4.386 281 HB3 SER 37 1HB SER 37 -5.123 12.586 3.698 282 HG SER 37 HG SER 37 -5.668 11.204 5.168 283 H ILE 38 H ILE 38 -1.300 11.720 2.680 284 HA ILE 38 HA ILE 38 -0.111 9.259 2.401 285 HB ILE 38 HB ILE 38 0.986 11.566 4.027 286 HG12 ILE 38 2HG1 ILE 38 0.356 12.261 1.757 287 HG13 ILE 38 1HG1 ILE 38 2.106 12.243 1.936 288 HG21 ILE 38 1HG2 ILE 38 2.397 9.234 2.718 289 HG22 ILE 38 2HG2 ILE 38 2.245 9.538 4.450 290 HG23 ILE 38 3HG2 ILE 38 3.199 10.628 3.444 291 HD11 ILE 38 3HD1 ILE 38 0.448 10.125 0.576 292 HD12 ILE 38 1HD1 ILE 38 2.205 10.105 0.754 293 HD13 ILE 38 2HD1 ILE 38 1.431 11.357 -0.219 294 H TYR 39 H TYR 39 -0.845 10.860 5.518 295 HA TYR 39 HA TYR 39 0.266 8.855 7.161 296 HB2 TYR 39 2HB TYR 39 -0.291 11.193 7.877 297 HB3 TYR 39 1HB TYR 39 -1.993 10.739 7.881 298 HD1 TYR 39 HD2 TYR 39 1.268 10.191 9.519 299 HD2 TYR 39 HD1 TYR 39 -2.919 9.434 9.686 300 HE1 TYR 39 HE2 TYR 39 1.516 9.365 11.819 301 HE2 TYR 39 HE1 TYR 39 -2.680 8.604 11.989 302 HH TYR 39 HH TYR 39 0.025 9.138 13.866 303 H GLN 40 H GLN 40 -3.056 9.322 5.968 304 HA GLN 40 HA GLN 40 -4.235 7.211 7.431 305 HB2 GLN 40 2HB GLN 40 -5.495 9.044 6.328 306 HB3 GLN 40 1HB GLN 40 -5.102 8.347 4.764 307 HG2 GLN 40 2HG GLN 40 -6.391 6.374 5.259 308 HG3 GLN 40 1HG GLN 40 -6.681 6.935 6.907 309 HE21 GLN 40 1HE2 GLN 40 -8.111 8.643 7.245 310 HE22 GLN 40 2HE2 GLN 40 -9.253 9.131 6.047 311 H VAL 41 H VAL 41 -2.882 7.313 4.140 312 HA VAL 41 HA VAL 41 -3.327 4.649 3.403 313 HB VAL 41 HB VAL 41 -0.964 6.403 2.656 314 HG11 VAL 41 1HG1 VAL 41 -0.777 4.952 0.670 315 HG12 VAL 41 2HG1 VAL 41 -2.041 3.911 1.326 316 HG13 VAL 41 3HG1 VAL 41 -0.500 4.062 2.171 317 HG21 VAL 41 3HG2 VAL 41 -3.080 7.457 2.085 318 HG22 VAL 41 1HG2 VAL 41 -3.623 5.982 1.282 319 HG23 VAL 41 2HG2 VAL 41 -2.268 6.900 0.622 320 H ARG 42 H ARG 42 -0.607 6.113 5.171 321 HA ARG 42 HA ARG 42 0.975 3.857 5.572 322 HB2 ARG 42 2HB ARG 42 0.499 6.253 7.357 323 HB3 ARG 42 1HB ARG 42 1.711 5.026 7.704 324 HG2 ARG 42 2HG ARG 42 2.898 5.558 5.666 325 HG3 ARG 42 1HG ARG 42 1.641 6.707 5.197 326 HD2 ARG 42 2HD ARG 42 3.665 7.779 6.180 327 HD3 ARG 42 1HD ARG 42 2.174 8.142 7.052 328 HE ARG 42 HE ARG 42 3.383 5.918 8.245 329 HH11 ARG 42 1HH1 ARG 42 4.000 9.282 7.826 330 HH12 ARG 42 2HH1 ARG 42 4.829 9.423 9.338 331 HH21 ARG 42 1HH2 ARG 42 4.441 6.122 10.189 332 HH22 ARG 42 2HH2 ARG 42 5.102 7.657 10.638 333 H LEU 43 H LEU 43 -1.859 4.958 7.421 334 HA LEU 43 HA LEU 43 -1.736 3.096 9.515 335 HB2 LEU 43 2HB LEU 43 -4.179 4.315 8.221 336 HB3 LEU 43 1HB LEU 43 -4.163 3.498 9.773 337 HG LEU 43 HG LEU 43 -2.662 6.049 9.139 338 HD11 LEU 43 1HD1 LEU 43 -5.072 6.401 9.171 339 HD12 LEU 43 2HD1 LEU 43 -4.302 7.144 10.572 340 HD13 LEU 43 3HD1 LEU 43 -5.175 5.622 10.751 341 HD21 LEU 43 3HD2 LEU 43 -2.230 6.150 11.541 342 HD22 LEU 43 1HD2 LEU 43 -1.545 4.682 10.843 343 HD23 LEU 43 2HD2 LEU 43 -3.047 4.603 11.764 344 H TYR 44 H TYR 44 -3.346 2.852 6.347 345 HA TYR 44 HA TYR 44 -4.383 0.241 6.725 346 HB2 TYR 44 2HB TYR 44 -3.761 1.849 4.251 347 HB3 TYR 44 1HB TYR 44 -4.403 0.212 4.155 348 HD1 TYR 44 HD1 TYR 44 -6.653 -0.282 5.101 349 HD2 TYR 44 HD2 TYR 44 -5.187 3.702 4.770 350 HE1 TYR 44 HE1 TYR 44 -8.941 0.574 5.348 351 HE2 TYR 44 HE2 TYR 44 -7.476 4.567 5.012 352 HH TYR 44 HH TYR 44 -10.086 2.591 6.025 353 H LEU 45 H LEU 45 -1.462 1.308 4.960 354 HA LEU 45 HA LEU 45 -0.520 -1.215 4.228 355 HB2 LEU 45 2HB LEU 45 1.077 1.269 4.880 356 HB3 LEU 45 1HB LEU 45 1.687 -0.121 3.996 357 HG LEU 45 HG LEU 45 -0.569 1.675 3.079 358 HD11 LEU 45 1HD1 LEU 45 0.986 2.495 1.407 359 HD12 LEU 45 2HD1 LEU 45 2.269 1.484 2.074 360 HD13 LEU 45 3HD1 LEU 45 1.597 2.807 3.031 361 HD21 LEU 45 3HD2 LEU 45 -0.836 -0.609 2.279 362 HD22 LEU 45 1HD2 LEU 45 0.822 -0.610 1.677 363 HD23 LEU 45 2HD2 LEU 45 -0.378 0.464 0.958 364 H GLU 46 H GLU 46 -0.016 0.590 7.211 365 HA GLU 46 HA GLU 46 1.937 -1.039 8.398 366 HB2 GLU 46 2HB GLU 46 1.111 1.283 9.096 367 HB3 GLU 46 1HB GLU 46 -0.217 0.465 9.899 368 HG2 GLU 46 2HG GLU 46 2.688 -0.045 10.509 369 HG3 GLU 46 1HG GLU 46 1.694 1.128 11.366 370 H GLN 47 H GLN 47 -1.628 -1.089 8.845 371 HA GLN 47 HA GLN 47 -1.573 -3.363 10.548 372 HB2 GLN 47 2HB GLN 47 -4.028 -3.409 10.267 373 HB3 GLN 47 1HB GLN 47 -3.416 -1.816 10.682 374 HG2 GLN 47 2HG GLN 47 -3.542 -1.236 8.244 375 HG3 GLN 47 1HG GLN 47 -4.390 -2.762 7.997 376 HE21 GLN 47 1HE2 GLN 47 -4.558 0.417 9.369 377 HE22 GLN 47 2HE2 GLN 47 -6.259 0.427 9.660 378 H LEU 48 H LEU 48 -2.154 -3.039 7.046 379 HA LEU 48 HA LEU 48 -2.669 -5.753 6.504 380 HB2 LEU 48 2HB LEU 48 -1.352 -3.628 4.799 381 HB3 LEU 48 1HB LEU 48 -1.774 -5.224 4.201 382 HG LEU 48 HG LEU 48 -3.742 -3.191 5.270 383 HD11 LEU 48 1HD1 LEU 48 -2.763 -2.511 3.131 384 HD12 LEU 48 2HD1 LEU 48 -4.460 -2.945 2.957 385 HD13 LEU 48 3HD1 LEU 48 -3.207 -4.067 2.430 386 HD21 LEU 48 3HD2 LEU 48 -5.442 -4.735 4.357 387 HD22 LEU 48 1HD2 LEU 48 -4.511 -5.450 5.675 388 HD23 LEU 48 2HD2 LEU 48 -4.164 -5.901 4.005 389 H HIS 49 H HIS 49 0.364 -3.996 6.910 390 HA HIS 49 HA HIS 49 2.103 -6.139 6.264 391 HB2 HIS 49 2HB HIS 49 3.095 -4.005 6.295 392 HB3 HIS 49 1HB HIS 49 2.416 -3.607 7.868 393 HD1 HIS 49 HD1 HIS 49 4.658 -6.478 6.731 394 HD2 HIS 49 HD2 HIS 49 4.482 -3.494 9.612 395 HE1 HIS 49 HE1 HIS 49 6.676 -6.821 8.175 396 HE2 HIS 49 HE2 HIS 49 6.398 -5.172 10.054 397 H ASP 50 H ASP 50 0.706 -5.064 9.350 398 HA ASP 50 HA ASP 50 2.233 -6.790 10.985 399 HB2 ASP 50 2HB ASP 50 0.938 -4.670 11.633 400 HB3 ASP 50 1HB ASP 50 -0.483 -5.709 11.721 401 H VAL 51 H VAL 51 -1.028 -7.153 9.585 402 HA VAL 51 HA VAL 51 -1.606 -9.608 10.930 403 HB VAL 51 HB VAL 51 -3.509 -9.824 9.385 404 HG11 VAL 51 1HG1 VAL 51 -3.123 -7.027 10.467 405 HG12 VAL 51 2HG1 VAL 51 -3.752 -8.416 11.354 406 HG13 VAL 51 3HG1 VAL 51 -4.670 -7.742 10.009 407 HG21 VAL 51 3HG2 VAL 51 -2.458 -9.019 7.335 408 HG22 VAL 51 1HG2 VAL 51 -2.340 -7.394 8.010 409 HG23 VAL 51 2HG2 VAL 51 -3.923 -8.097 7.673 410 H GLY 52 H GLY 52 0.308 -8.889 8.168 411 HA2 GLY 52 2HA GLY 52 1.865 -10.564 7.411 412 HA3 GLY 52 1HA GLY 52 0.647 -11.789 7.715 413 H VAL 53 H VAL 53 -0.183 -8.837 6.001 414 HA VAL 53 HA VAL 53 -0.567 -10.377 3.535 415 HB VAL 53 HB VAL 53 -1.357 -7.520 4.180 416 HG11 VAL 53 1HG1 VAL 53 -2.050 -9.236 1.787 417 HG12 VAL 53 2HG1 VAL 53 -1.007 -7.813 1.787 418 HG13 VAL 53 3HG1 VAL 53 -2.728 -7.644 2.137 419 HG21 VAL 53 3HG2 VAL 53 -3.644 -8.374 4.321 420 HG22 VAL 53 1HG2 VAL 53 -2.603 -9.163 5.505 421 HG23 VAL 53 2HG2 VAL 53 -3.061 -10.014 4.030 422 H LEU 54 H LEU 54 1.041 -7.382 4.607 423 HA LEU 54 HA LEU 54 2.703 -7.460 2.165 424 HB2 LEU 54 2HB LEU 54 2.012 -5.098 3.926 425 HB3 LEU 54 1HB LEU 54 3.038 -5.037 2.506 426 HG LEU 54 HG LEU 54 0.085 -5.690 2.531 427 HD11 LEU 54 1HD1 LEU 54 1.558 -3.243 1.548 428 HD12 LEU 54 2HD1 LEU 54 0.522 -3.338 2.974 429 HD13 LEU 54 3HD1 LEU 54 -0.170 -3.551 1.367 430 HD21 LEU 54 3HD2 LEU 54 1.994 -5.422 0.206 431 HD22 LEU 54 1HD2 LEU 54 0.246 -5.632 0.089 432 HD23 LEU 54 2HD2 LEU 54 1.244 -6.915 0.771 433 H GLU 55 H GLU 55 4.892 -7.481 2.323 434 HA GLU 55 HA GLU 55 6.115 -7.699 4.971 435 HB2 GLU 55 2HB GLU 55 6.667 -9.351 3.190 436 HB3 GLU 55 1HB GLU 55 7.348 -8.051 2.221 437 HG2 GLU 55 2HG GLU 55 8.997 -7.636 4.032 438 HG3 GLU 55 1HG GLU 55 8.356 -9.036 4.888 439 H LYS 56 H LYS 56 7.860 -6.341 5.649 440 HA LYS 56 HA LYS 56 7.500 -3.608 4.700 441 HB2 LYS 56 2HB LYS 56 8.562 -2.908 6.728 442 HB3 LYS 56 1HB LYS 56 7.442 -4.197 7.141 443 HG2 LYS 56 2HG LYS 56 9.321 -5.788 7.208 444 HG3 LYS 56 1HG LYS 56 10.432 -4.469 6.841 445 HD2 LYS 56 2HD LYS 56 9.627 -3.329 8.929 446 HD3 LYS 56 1HD LYS 56 8.717 -4.793 9.304 447 HE2 LYS 56 2HE LYS 56 11.713 -4.542 9.014 448 HE3 LYS 56 1HE LYS 56 10.816 -4.828 10.503 449 HZ1 LYS 56 3HZ LYS 56 10.077 -6.957 9.574 450 HZ2 LYS 56 1HZ LYS 56 11.760 -6.873 9.697 451 HZ3 LYS 56 2HZ LYS 56 11.009 -6.687 8.190 452 H VAL 57 H VAL 57 9.003 -2.384 3.656 453 HA VAL 57 HA VAL 57 11.799 -3.324 3.592 454 HB VAL 57 HB VAL 57 10.336 -2.112 1.230 455 HG11 VAL 57 1HG1 VAL 57 12.693 -1.461 1.312 456 HG12 VAL 57 2HG1 VAL 57 12.395 -2.574 -0.023 457 HG13 VAL 57 3HG1 VAL 57 13.167 -3.156 1.453 458 HG21 VAL 57 3HG2 VAL 57 9.626 -4.416 1.595 459 HG22 VAL 57 1HG2 VAL 57 11.308 -4.947 1.645 460 HG23 VAL 57 2HG2 VAL 57 10.629 -4.304 0.150 461 H ASN 58 H ASN 58 12.865 -1.880 4.777 462 HA ASN 58 HA ASN 58 13.723 0.051 5.590 463 HB2 ASN 58 2HB ASN 58 14.260 0.445 3.212 464 HB3 ASN 58 1HB ASN 58 12.714 1.263 3.003 465 HD21 ASN 58 1HD2 ASN 58 12.397 3.271 4.041 466 HD22 ASN 58 2HD2 ASN 58 13.741 4.234 4.550 467 H ALA 59 H ALA 59 12.436 0.379 7.380 468 HA ALA 59 HA ALA 59 10.336 2.422 7.111 469 HB1 ALA 59 3HB ALA 59 10.062 -0.088 8.768 470 HB2 ALA 59 1HB ALA 59 9.223 0.244 7.253 471 HB3 ALA 59 2HB ALA 59 8.894 1.231 8.678 472 H GLY 60 H GLY 60 9.785 3.484 9.215 473 HA2 GLY 60 2HA GLY 60 10.641 3.451 11.648 474 HA3 GLY 60 1HA GLY 60 12.207 3.706 10.900 475 H LYS 61 H LYS 61 12.871 5.746 11.025 476 HA LYS 61 HA LYS 61 11.046 7.816 11.860 477 HB2 LYS 61 2HB LYS 61 14.007 7.984 11.257 478 HB3 LYS 61 1HB LYS 61 13.053 9.197 12.100 479 HG2 LYS 61 2HG LYS 61 12.625 7.596 13.910 480 HG3 LYS 61 1HG LYS 61 13.597 6.389 13.064 481 HD2 LYS 61 2HD LYS 61 14.944 7.419 14.787 482 HD3 LYS 61 1HD LYS 61 15.549 7.920 13.209 483 HE2 LYS 61 2HE LYS 61 15.513 9.822 14.707 484 HE3 LYS 61 1HE LYS 61 14.307 10.048 13.441 485 HZ1 LYS 61 3HZ LYS 61 12.597 9.332 14.992 486 HZ2 LYS 61 1HZ LYS 61 13.446 10.657 15.613 487 HZ3 LYS 61 2HZ LYS 61 13.758 9.104 16.203 488 H GLY 62 H GLY 62 9.735 8.610 10.284 489 HA2 GLY 62 2HA GLY 62 9.067 9.736 8.393 490 HA3 GLY 62 1HA GLY 62 10.586 10.594 8.570 491 H VAL 63 H VAL 63 9.579 7.335 7.479 492 HA VAL 63 HA VAL 63 11.547 7.521 5.291 493 HB VAL 63 HB VAL 63 11.316 5.091 5.077 494 HG11 VAL 63 1HG1 VAL 63 12.284 4.431 7.235 495 HG12 VAL 63 2HG1 VAL 63 11.751 5.957 7.941 496 HG13 VAL 63 3HG1 VAL 63 12.966 5.953 6.661 497 HG21 VAL 63 3HG2 VAL 63 9.313 5.315 7.331 498 HG22 VAL 63 1HG2 VAL 63 9.951 3.807 6.672 499 HG23 VAL 63 2HG2 VAL 63 8.962 4.863 5.661 500 HA PRO 64 HA PRO 64 8.374 7.704 2.121 501 HB2 PRO 64 2HB PRO 64 9.461 6.177 0.139 502 HB3 PRO 64 1HB PRO 64 10.047 7.799 0.533 503 HG2 PRO 64 2HG PRO 64 11.145 5.134 1.383 504 HG3 PRO 64 1HG PRO 64 12.017 6.557 0.780 505 HD2 PRO 64 2HD PRO 64 11.881 5.983 3.414 506 HD3 PRO 64 1HD PRO 64 11.892 7.657 2.820 507 H GLY 65 H GLY 65 9.410 4.705 3.472 508 HA2 GLY 65 2HA GLY 65 8.294 2.764 3.955 509 HA3 GLY 65 1HA GLY 65 6.814 3.589 3.504 510 H LEU 66 H LEU 66 9.328 1.414 2.466 511 HA LEU 66 HA LEU 66 7.984 1.020 -0.118 512 HB2 LEU 66 2HB LEU 66 10.556 -0.162 0.945 513 HB3 LEU 66 1HB LEU 66 9.894 -0.456 -0.653 514 HG LEU 66 HG LEU 66 10.842 2.226 0.385 515 HD11 LEU 66 1HD1 LEU 66 12.676 0.643 -0.003 516 HD12 LEU 66 2HD1 LEU 66 12.694 1.968 -1.163 517 HD13 LEU 66 3HD1 LEU 66 12.099 0.381 -1.649 518 HD21 LEU 66 3HD2 LEU 66 9.846 1.415 -2.353 519 HD22 LEU 66 1HD2 LEU 66 10.555 2.978 -1.940 520 HD23 LEU 66 2HD2 LEU 66 9.025 2.486 -1.214 521 H TRP 67 H TRP 67 6.735 -0.727 -0.519 522 HA TRP 67 HA TRP 67 6.573 -2.819 1.557 523 HB2 TRP 67 2HB TRP 67 4.197 -1.596 0.128 524 HB3 TRP 67 1HB TRP 67 4.152 -2.795 1.416 525 HD1 TRP 67 HD1 TRP 67 4.420 0.930 0.817 526 HE1 TRP 67 HE1 TRP 67 4.384 2.167 3.073 527 HE3 TRP 67 HE3 TRP 67 4.913 -3.084 3.949 528 HZ2 TRP 67 HZ2 TRP 67 4.547 1.527 5.816 529 HZ3 TRP 67 HZ3 TRP 67 4.974 -2.682 6.377 530 HH2 TRP 67 HH2 TRP 67 4.796 -0.425 7.290 531 H ARG 68 H ARG 68 6.102 -4.881 0.894 532 HA ARG 68 HA ARG 68 5.494 -5.362 -1.942 533 HB2 ARG 68 2HB ARG 68 7.113 -7.221 -2.032 534 HB3 ARG 68 1HB ARG 68 7.912 -5.678 -1.750 535 HG2 ARG 68 2HG ARG 68 8.176 -6.190 0.598 536 HG3 ARG 68 1HG ARG 68 7.257 -7.683 0.406 537 HD2 ARG 68 2HD ARG 68 9.883 -7.073 -0.956 538 HD3 ARG 68 1HD ARG 68 9.697 -8.057 0.496 539 HE ARG 68 HE ARG 68 8.346 -8.831 -2.002 540 HH11 ARG 68 1HH1 ARG 68 10.506 -9.545 0.587 541 HH12 ARG 68 2HH1 ARG 68 10.824 -11.151 0.027 542 HH21 ARG 68 1HH2 ARG 68 8.721 -10.921 -2.687 543 HH22 ARG 68 2HH2 ARG 68 9.817 -11.921 -1.800 544 H LEU 69 H LEU 69 4.920 -7.813 -2.215 545 HA LEU 69 HA LEU 69 3.284 -8.583 0.115 546 HB2 LEU 69 2HB LEU 69 1.976 -9.950 -1.635 547 HB3 LEU 69 1HB LEU 69 1.738 -8.216 -1.558 548 HG LEU 69 HG LEU 69 3.339 -7.999 -3.502 549 HD11 LEU 69 1HD1 LEU 69 2.986 -10.991 -3.638 550 HD12 LEU 69 2HD1 LEU 69 4.488 -10.125 -3.314 551 HD13 LEU 69 3HD1 LEU 69 3.712 -9.980 -4.890 552 HD21 LEU 69 3HD2 LEU 69 1.674 -8.617 -5.168 553 HD22 LEU 69 1HD2 LEU 69 0.912 -7.857 -3.772 554 HD23 LEU 69 2HD2 LEU 69 0.830 -9.608 -3.980 555 H LEU 70 H LEU 70 2.845 -11.045 0.181 556 HA LEU 70 HA LEU 70 5.376 -12.268 0.612 557 HB2 LEU 70 2HB LEU 70 2.641 -13.551 0.638 558 HB3 LEU 70 1HB LEU 70 4.104 -14.216 1.343 559 HG LEU 70 HG LEU 70 2.674 -11.712 2.262 560 HD11 LEU 70 1HD1 LEU 70 2.168 -13.008 4.275 561 HD12 LEU 70 2HD1 LEU 70 2.925 -14.429 3.553 562 HD13 LEU 70 3HD1 LEU 70 1.466 -13.745 2.836 563 HD21 LEU 70 3HD2 LEU 70 5.095 -11.524 2.562 564 HD22 LEU 70 1HD2 LEU 70 5.117 -13.072 3.411 565 HD23 LEU 70 2HD2 LEU 70 4.270 -11.690 4.112 566 H GLU 71 H GLU 71 6.246 -12.120 -1.570 567 HA GLU 71 HA GLU 71 5.951 -14.594 -3.014 568 HB2 GLU 71 2HB GLU 71 4.086 -13.225 -3.944 569 HB3 GLU 71 1HB GLU 71 5.257 -12.015 -4.450 570 HG2 GLU 71 2HG GLU 71 4.602 -13.404 -6.321 571 HG3 GLU 71 1HG GLU 71 6.305 -13.647 -5.942 Start of MODEL 14 1 H1 MET 1 1H MET 1 -21.400 -5.591 -6.441 2 H2 MET 1 2H MET 1 -22.342 -4.646 -7.474 3 H3 MET 1 3H MET 1 -22.084 -4.149 -5.879 4 HA MET 1 HA MET 1 -20.002 -4.402 -7.977 5 HB2 MET 1 2HB MET 1 -21.271 -1.939 -6.740 6 HB3 MET 1 1HB MET 1 -19.894 -1.917 -7.834 7 HG2 MET 1 2HG MET 1 -21.287 -2.917 -9.591 8 HG3 MET 1 1HG MET 1 -22.665 -2.904 -8.491 9 HE1 MET 1 3HE MET 1 -23.588 -0.088 -11.055 10 HE2 MET 1 1HE MET 1 -24.118 -1.580 -10.276 11 HE3 MET 1 2HE MET 1 -22.757 -1.605 -11.397 12 H SER 2 H SER 2 -17.893 -4.142 -7.301 13 HA SER 2 HA SER 2 -17.400 -4.846 -4.576 14 HB2 SER 2 2HB SER 2 -15.001 -4.849 -5.251 15 HB3 SER 2 1HB SER 2 -16.023 -5.804 -6.323 16 HG SER 2 HG SER 2 -14.364 -4.005 -7.081 17 H GLU 3 H GLU 3 -17.659 -3.353 -3.035 18 HA GLU 3 HA GLU 3 -16.397 -0.711 -3.345 19 HB2 GLU 3 2HB GLU 3 -18.577 -1.745 -1.538 20 HB3 GLU 3 1HB GLU 3 -17.723 -0.254 -1.166 21 HG2 GLU 3 2HG GLU 3 -19.220 -0.778 -3.733 22 HG3 GLU 3 1HG GLU 3 -19.870 0.096 -2.344 23 H SER 4 H SER 4 -14.333 -0.715 -2.659 24 HA SER 4 HA SER 4 -13.653 -1.103 0.048 25 HB2 SER 4 2HB SER 4 -13.862 -3.485 -0.356 26 HB3 SER 4 1HB SER 4 -12.815 -3.375 -1.772 27 HG SER 4 HG SER 4 -11.694 -4.123 0.084 28 H ILE 5 H ILE 5 -12.270 0.539 0.187 29 HA ILE 5 HA ILE 5 -10.413 1.232 -1.900 30 HB ILE 5 HB ILE 5 -10.528 2.225 0.961 31 HG12 ILE 5 2HG1 ILE 5 -12.622 2.667 -0.263 32 HG13 ILE 5 1HG1 ILE 5 -11.742 4.159 0.053 33 HG21 ILE 5 1HG2 ILE 5 -8.355 2.648 -0.036 34 HG22 ILE 5 2HG2 ILE 5 -9.251 4.160 0.102 35 HG23 ILE 5 3HG2 ILE 5 -9.115 3.355 -1.461 36 HD11 ILE 5 3HD1 ILE 5 -12.683 4.158 -2.181 37 HD12 ILE 5 1HD1 ILE 5 -11.821 2.668 -2.565 38 HD13 ILE 5 2HD1 ILE 5 -10.921 4.155 -2.255 39 H VAL 6 H VAL 6 -10.255 -0.469 1.195 40 HA VAL 6 HA VAL 6 -7.486 -0.791 1.431 41 HB VAL 6 HB VAL 6 -9.623 -2.799 2.194 42 HG11 VAL 6 1HG1 VAL 6 -7.398 -3.789 2.220 43 HG12 VAL 6 2HG1 VAL 6 -7.996 -3.582 3.865 44 HG13 VAL 6 3HG1 VAL 6 -6.798 -2.461 3.217 45 HG21 VAL 6 3HG2 VAL 6 -10.090 -0.620 3.173 46 HG22 VAL 6 1HG2 VAL 6 -8.440 -0.516 3.787 47 HG23 VAL 6 2HG2 VAL 6 -9.541 -1.739 4.421 48 H THR 7 H THR 7 -9.859 -2.903 -0.215 49 HA THR 7 HA THR 7 -8.024 -4.766 -1.255 50 HB THR 7 HB THR 7 -10.669 -3.912 -2.472 51 HG1 THR 7 HG1 THR 7 -10.061 -6.062 -0.683 52 HG21 THR 7 3HG2 THR 7 -9.071 -6.454 -2.874 53 HG22 THR 7 1HG2 THR 7 -9.281 -5.170 -4.064 54 HG23 THR 7 2HG2 THR 7 -10.668 -6.122 -3.541 55 H LYS 8 H LYS 8 -9.114 -1.638 -2.484 56 HA LYS 8 HA LYS 8 -7.939 -1.724 -5.032 57 HB2 LYS 8 2HB LYS 8 -9.525 0.024 -4.356 58 HB3 LYS 8 1HB LYS 8 -8.362 0.656 -3.197 59 HG2 LYS 8 2HG LYS 8 -6.840 1.198 -5.071 60 HG3 LYS 8 1HG LYS 8 -8.072 0.634 -6.202 61 HD2 LYS 8 2HD LYS 8 -9.618 2.358 -5.383 62 HD3 LYS 8 1HD LYS 8 -8.397 2.917 -4.238 63 HE2 LYS 8 2HE LYS 8 -6.910 3.469 -6.128 64 HE3 LYS 8 1HE LYS 8 -8.168 2.953 -7.252 65 HZ1 LYS 8 3HZ LYS 8 -9.598 4.691 -6.379 66 HZ2 LYS 8 1HZ LYS 8 -8.162 5.344 -6.983 67 HZ3 LYS 8 2HZ LYS 8 -8.389 5.195 -5.316 68 H ILE 9 H ILE 9 -6.624 -0.523 -1.937 69 HA ILE 9 HA ILE 9 -4.074 0.208 -2.818 70 HB ILE 9 HB ILE 9 -4.915 -0.886 -0.122 71 HG12 ILE 9 2HG1 ILE 9 -4.504 1.950 -1.119 72 HG13 ILE 9 1HG1 ILE 9 -6.054 1.186 -0.785 73 HG21 ILE 9 1HG2 ILE 9 -2.851 0.120 0.761 74 HG22 ILE 9 2HG2 ILE 9 -2.353 0.528 -0.882 75 HG23 ILE 9 3HG2 ILE 9 -2.510 -1.161 -0.403 76 HD11 ILE 9 3HD1 ILE 9 -3.909 1.798 1.235 77 HD12 ILE 9 1HD1 ILE 9 -5.457 1.019 1.577 78 HD13 ILE 9 2HD1 ILE 9 -5.415 2.685 1.001 79 H ILE 10 H ILE 10 -5.148 -2.927 -1.481 80 HA ILE 10 HA ILE 10 -2.755 -4.346 -1.762 81 HB ILE 10 HB ILE 10 -5.572 -5.418 -2.089 82 HG12 ILE 10 2HG1 ILE 10 -3.820 -5.227 0.382 83 HG13 ILE 10 1HG1 ILE 10 -5.227 -4.225 0.049 84 HG21 ILE 10 1HG2 ILE 10 -3.005 -6.866 -1.409 85 HG22 ILE 10 2HG2 ILE 10 -3.893 -6.985 -2.929 86 HG23 ILE 10 3HG2 ILE 10 -4.615 -7.586 -1.438 87 HD11 ILE 10 3HD1 ILE 10 -5.231 -7.202 0.493 88 HD12 ILE 10 1HD1 ILE 10 -6.648 -6.218 0.126 89 HD13 ILE 10 2HD1 ILE 10 -5.766 -5.968 1.633 90 H SER 11 H SER 11 -5.347 -3.784 -4.117 91 HA SER 11 HA SER 11 -4.343 -5.334 -6.245 92 HB2 SER 11 2HB SER 11 -6.007 -2.798 -6.317 93 HB3 SER 11 1HB SER 11 -5.715 -3.835 -7.710 94 HG SER 11 HG SER 11 -6.961 -4.670 -5.290 95 H ILE 12 H ILE 12 -3.811 -1.922 -5.402 96 HA ILE 12 HA ILE 12 -2.217 -1.173 -7.574 97 HB ILE 12 HB ILE 12 -2.090 -0.168 -4.719 98 HG12 ILE 12 2HG1 ILE 12 -3.542 1.019 -7.102 99 HG13 ILE 12 1HG1 ILE 12 -4.317 -0.001 -5.895 100 HG21 ILE 12 1HG2 ILE 12 -0.072 0.444 -5.943 101 HG22 ILE 12 2HG2 ILE 12 -1.078 1.866 -5.668 102 HG23 ILE 12 3HG2 ILE 12 -1.046 1.101 -7.258 103 HD11 ILE 12 3HD1 ILE 12 -2.995 2.648 -5.358 104 HD12 ILE 12 1HD1 ILE 12 -3.807 1.631 -4.167 105 HD13 ILE 12 2HD1 ILE 12 -4.730 2.357 -5.482 106 H VAL 13 H VAL 13 -1.121 -2.229 -4.327 107 HA VAL 13 HA VAL 13 1.622 -2.232 -4.857 108 HB VAL 13 HB VAL 13 0.157 -4.096 -2.972 109 HG11 VAL 13 1HG1 VAL 13 2.463 -4.792 -3.362 110 HG12 VAL 13 2HG1 VAL 13 2.275 -4.156 -1.729 111 HG13 VAL 13 3HG1 VAL 13 3.036 -3.168 -2.975 112 HG21 VAL 13 3HG2 VAL 13 -0.433 -1.771 -2.533 113 HG22 VAL 13 1HG2 VAL 13 1.272 -1.328 -2.476 114 HG23 VAL 13 2HG2 VAL 13 0.597 -2.399 -1.247 115 H GLN 14 H GLN 14 -0.655 -4.985 -5.033 116 HA GLN 14 HA GLN 14 1.126 -6.935 -5.943 117 HB2 GLN 14 2HB GLN 14 -1.167 -7.415 -5.161 118 HB3 GLN 14 1HB GLN 14 -1.821 -6.648 -6.602 119 HG2 GLN 14 2HG GLN 14 -1.912 -9.010 -6.913 120 HG3 GLN 14 1HG GLN 14 -0.660 -8.371 -7.974 121 HE21 GLN 14 1HE2 GLN 14 0.416 -10.322 -8.126 122 HE22 GLN 14 2HE2 GLN 14 1.302 -10.998 -6.809 123 H GLU 15 H GLU 15 -0.866 -4.664 -7.818 124 HA GLU 15 HA GLU 15 -0.218 -5.595 -10.378 125 HB2 GLU 15 2HB GLU 15 -2.073 -4.042 -9.857 126 HB3 GLU 15 1HB GLU 15 -0.905 -2.768 -9.545 127 HG2 GLU 15 2HG GLU 15 -0.211 -2.757 -11.849 128 HG3 GLU 15 1HG GLU 15 -1.215 -4.165 -12.200 129 H ARG 16 H ARG 16 1.416 -3.151 -8.356 130 HA ARG 16 HA ARG 16 3.385 -2.414 -10.243 131 HB2 ARG 16 2HB ARG 16 3.717 -2.503 -7.232 132 HB3 ARG 16 1HB ARG 16 4.691 -1.576 -8.363 133 HG2 ARG 16 2HG ARG 16 1.786 -1.141 -7.689 134 HG3 ARG 16 1HG ARG 16 3.147 -0.113 -7.244 135 HD2 ARG 16 2HD ARG 16 2.156 -0.633 -10.052 136 HD3 ARG 16 1HD ARG 16 1.866 0.825 -9.110 137 HE ARG 16 HE ARG 16 4.457 -0.023 -10.212 138 HH11 ARG 16 1HH1 ARG 16 2.489 2.395 -8.749 139 HH12 ARG 16 2HH1 ARG 16 3.552 3.681 -9.177 140 HH21 ARG 16 1HH2 ARG 16 5.813 1.646 -10.770 141 HH22 ARG 16 2HH2 ARG 16 5.405 3.269 -10.318 142 H GLN 17 H GLN 17 3.288 -5.026 -7.851 143 HA GLN 17 HA GLN 17 5.874 -6.064 -8.346 144 HB2 GLN 17 2HB GLN 17 3.350 -7.296 -7.241 145 HB3 GLN 17 1HB GLN 17 4.831 -8.224 -7.420 146 HG2 GLN 17 2HG GLN 17 4.685 -5.671 -5.832 147 HG3 GLN 17 1HG GLN 17 4.374 -7.259 -5.136 148 HE21 GLN 17 1HE2 GLN 17 6.096 -7.271 -3.773 149 HE22 GLN 17 2HE2 GLN 17 7.733 -7.359 -4.301 150 H ASN 18 H ASN 18 2.828 -6.440 -10.036 151 HA ASN 18 HA ASN 18 3.743 -8.559 -11.755 152 HB2 ASN 18 2HB ASN 18 1.382 -6.677 -11.903 153 HB3 ASN 18 1HB ASN 18 1.704 -7.900 -13.129 154 HD21 ASN 18 1HD2 ASN 18 -0.234 -8.934 -12.659 155 HD22 ASN 18 2HD2 ASN 18 -0.436 -9.893 -11.239 156 H MET 19 H MET 19 4.112 -5.134 -11.682 157 HA MET 19 HA MET 19 4.891 -4.859 -14.456 158 HB2 MET 19 2HB MET 19 5.260 -2.990 -12.096 159 HB3 MET 19 1HB MET 19 5.609 -2.580 -13.770 160 HG2 MET 19 2HG MET 19 2.901 -3.324 -12.685 161 HG3 MET 19 1HG MET 19 3.458 -1.688 -13.029 162 HE1 MET 19 3HE MET 19 3.892 -1.808 -16.936 163 HE2 MET 19 1HE MET 19 5.119 -2.090 -15.702 164 HE3 MET 19 2HE MET 19 3.958 -0.776 -15.504 165 H ASP 20 H ASP 20 6.532 -5.291 -11.349 166 HA ASP 20 HA ASP 20 8.944 -6.118 -12.800 167 HB2 ASP 20 2HB ASP 20 9.229 -3.714 -12.102 168 HB3 ASP 20 1HB ASP 20 9.081 -4.238 -10.432 169 H ASP 21 H ASP 21 10.052 -7.784 -11.835 170 HA ASP 21 HA ASP 21 8.603 -9.484 -10.136 171 HB2 ASP 21 2HB ASP 21 11.528 -9.550 -10.908 172 HB3 ASP 21 1HB ASP 21 10.665 -10.873 -10.125 173 H GLY 22 H GLY 22 10.517 -6.815 -9.249 174 HA2 GLY 22 2HA GLY 22 10.247 -7.581 -6.437 175 HA3 GLY 22 1HA GLY 22 11.875 -7.250 -7.009 176 H ALA 23 H ALA 23 8.709 -5.691 -7.539 177 HA ALA 23 HA ALA 23 9.935 -3.070 -7.360 178 HB1 ALA 23 3HB ALA 23 8.244 -3.495 -9.054 179 HB2 ALA 23 1HB ALA 23 7.713 -2.226 -7.958 180 HB3 ALA 23 2HB ALA 23 7.053 -3.854 -7.808 181 HA PRO 24 HA PRO 24 8.593 -2.693 -3.014 182 HB2 PRO 24 2HB PRO 24 10.369 -0.810 -2.292 183 HB3 PRO 24 1HB PRO 24 10.841 -2.508 -2.446 184 HG2 PRO 24 2HG PRO 24 11.251 -0.245 -4.360 185 HG3 PRO 24 1HG PRO 24 12.382 -1.526 -3.892 186 HD2 PRO 24 2HD PRO 24 10.886 -1.556 -6.204 187 HD3 PRO 24 1HD PRO 24 11.498 -3.015 -5.402 188 H VAL 25 H VAL 25 6.665 -1.667 -3.055 189 HA VAL 25 HA VAL 25 6.231 0.658 -4.698 190 HB VAL 25 HB VAL 25 4.253 -0.626 -2.807 191 HG11 VAL 25 1HG1 VAL 25 3.879 1.008 -5.325 192 HG12 VAL 25 2HG1 VAL 25 3.547 1.533 -3.672 193 HG13 VAL 25 3HG1 VAL 25 2.584 0.245 -4.397 194 HG21 VAL 25 3HG2 VAL 25 5.187 -2.369 -4.232 195 HG22 VAL 25 1HG2 VAL 25 4.875 -1.390 -5.668 196 HG23 VAL 25 2HG2 VAL 25 3.529 -2.010 -4.715 197 H LYS 26 H LYS 26 5.536 2.708 -4.019 198 HA LYS 26 HA LYS 26 6.759 3.479 -1.471 199 HB2 LYS 26 2HB LYS 26 5.885 5.255 -3.769 200 HB3 LYS 26 1HB LYS 26 6.850 5.737 -2.383 201 HG2 LYS 26 2HG LYS 26 8.344 5.525 -4.198 202 HG3 LYS 26 1HG LYS 26 8.613 4.119 -3.169 203 HD2 LYS 26 2HD LYS 26 7.249 2.745 -4.678 204 HD3 LYS 26 1HD LYS 26 6.938 4.157 -5.690 205 HE2 LYS 26 2HE LYS 26 9.661 2.960 -5.156 206 HE3 LYS 26 1HE LYS 26 8.696 2.684 -6.605 207 HZ1 LYS 26 3HZ LYS 26 10.348 4.384 -6.980 208 HZ2 LYS 26 1HZ LYS 26 9.751 5.306 -5.694 209 HZ3 LYS 26 2HZ LYS 26 8.800 5.057 -7.072 210 H THR 27 H THR 27 5.652 4.463 0.188 211 HA THR 27 HA THR 27 2.904 4.314 0.503 212 HB THR 27 HB THR 27 4.745 6.376 1.759 213 HG1 THR 27 HG1 THR 27 4.000 3.731 2.515 214 HG21 THR 27 3HG2 THR 27 2.040 5.383 2.681 215 HG22 THR 27 1HG2 THR 27 2.375 6.982 2.010 216 HG23 THR 27 2HG2 THR 27 3.086 6.506 3.550 217 H ARG 28 H ARG 28 4.817 6.975 -0.828 218 HA ARG 28 HA ARG 28 2.774 8.870 -1.177 219 HB2 ARG 28 2HB ARG 28 5.225 8.413 -2.899 220 HB3 ARG 28 1HB ARG 28 4.251 9.877 -2.877 221 HG2 ARG 28 2HG ARG 28 5.764 8.803 -0.499 222 HG3 ARG 28 1HG ARG 28 6.373 10.044 -1.596 223 HD2 ARG 28 2HD ARG 28 4.528 11.510 -0.995 224 HD3 ARG 28 1HD ARG 28 3.843 10.259 0.042 225 HE ARG 28 HE ARG 28 6.236 10.539 1.144 226 HH11 ARG 28 1HH1 ARG 28 4.071 12.994 0.042 227 HH12 ARG 28 2HH1 ARG 28 4.546 14.110 1.276 228 HH21 ARG 28 1HH2 ARG 28 6.843 11.998 2.703 229 HH22 ARG 28 2HH2 ARG 28 6.103 13.562 2.745 230 H ASP 29 H ASP 29 4.133 6.632 -3.616 231 HA ASP 29 HA ASP 29 2.408 7.106 -5.713 232 HB2 ASP 29 2HB ASP 29 4.474 5.663 -5.726 233 HB3 ASP 29 1HB ASP 29 3.529 4.388 -4.966 234 H ILE 30 H ILE 30 2.000 4.740 -3.087 235 HA ILE 30 HA ILE 30 -0.460 3.659 -3.892 236 HB ILE 30 HB ILE 30 0.647 3.987 -1.093 237 HG12 ILE 30 2HG1 ILE 30 0.707 1.601 -2.969 238 HG13 ILE 30 1HG1 ILE 30 2.069 2.677 -2.669 239 HG21 ILE 30 1HG2 ILE 30 -1.759 3.608 -1.007 240 HG22 ILE 30 2HG2 ILE 30 -0.897 2.172 -0.461 241 HG23 ILE 30 3HG2 ILE 30 -1.599 2.218 -2.079 242 HD11 ILE 30 3HD1 ILE 30 0.727 0.905 -0.638 243 HD12 ILE 30 1HD1 ILE 30 2.080 1.990 -0.320 244 HD13 ILE 30 2HD1 ILE 30 2.286 0.621 -1.410 245 H ALA 31 H ALA 31 0.234 6.437 -1.762 246 HA ALA 31 HA ALA 31 -2.405 7.022 -1.018 247 HB1 ALA 31 3HB ALA 31 -1.589 9.246 -0.439 248 HB2 ALA 31 1HB ALA 31 -0.111 8.954 -1.357 249 HB3 ALA 31 2HB ALA 31 -0.454 8.004 0.089 250 H ASP 32 H ASP 32 -0.473 8.326 -3.717 251 HA ASP 32 HA ASP 32 -2.456 9.999 -4.797 252 HB2 ASP 32 2HB ASP 32 -0.071 8.632 -6.053 253 HB3 ASP 32 1HB ASP 32 -1.097 9.758 -6.938 254 H ALA 33 H ALA 33 -1.543 6.678 -5.759 255 HA ALA 33 HA ALA 33 -3.495 6.424 -7.788 256 HB1 ALA 33 3HB ALA 33 -2.149 4.214 -6.234 257 HB2 ALA 33 1HB ALA 33 -1.466 5.035 -7.637 258 HB3 ALA 33 2HB ALA 33 -2.933 4.070 -7.807 259 H ALA 34 H ALA 34 -3.582 5.592 -4.345 260 HA ALA 34 HA ALA 34 -6.108 4.228 -4.496 261 HB1 ALA 34 3HB ALA 34 -4.464 3.679 -2.762 262 HB2 ALA 34 1HB ALA 34 -6.009 4.157 -2.060 263 HB3 ALA 34 2HB ALA 34 -4.655 5.286 -2.069 264 H GLY 35 H GLY 35 -5.087 7.512 -3.758 265 HA2 GLY 35 2HA GLY 35 -6.430 9.432 -3.885 266 HA3 GLY 35 1HA GLY 35 -7.864 8.419 -3.862 267 H LEU 36 H LEU 36 -5.213 8.229 -1.543 268 HA LEU 36 HA LEU 36 -7.067 9.160 0.570 269 HB2 LEU 36 2HB LEU 36 -4.944 7.016 0.782 270 HB3 LEU 36 1HB LEU 36 -5.948 7.585 2.102 271 HG LEU 36 HG LEU 36 -6.896 6.082 -0.344 272 HD11 LEU 36 1HD1 LEU 36 -5.717 4.677 1.260 273 HD12 LEU 36 2HD1 LEU 36 -7.442 4.316 1.269 274 HD13 LEU 36 3HD1 LEU 36 -6.738 5.283 2.564 275 HD21 LEU 36 3HD2 LEU 36 -8.558 7.733 0.376 276 HD22 LEU 36 1HD2 LEU 36 -8.480 7.102 2.022 277 HD23 LEU 36 2HD2 LEU 36 -9.097 6.090 0.715 278 H SER 37 H SER 37 -5.839 9.753 2.634 279 HA SER 37 HA SER 37 -3.843 11.750 1.984 280 HB2 SER 37 2HB SER 37 -4.984 10.952 4.679 281 HB3 SER 37 1HB SER 37 -4.021 12.391 4.346 282 HG SER 37 HG SER 37 -6.300 12.789 4.380 283 H ILE 38 H ILE 38 -1.702 11.838 2.814 284 HA ILE 38 HA ILE 38 -0.217 9.528 2.572 285 HB ILE 38 HB ILE 38 0.538 12.039 4.082 286 HG12 ILE 38 2HG1 ILE 38 -0.051 12.408 1.714 287 HG13 ILE 38 1HG1 ILE 38 1.666 12.673 1.992 288 HG21 ILE 38 1HG2 ILE 38 1.996 10.205 4.748 289 HG22 ILE 38 2HG2 ILE 38 2.872 11.352 3.735 290 HG23 ILE 38 3HG2 ILE 38 2.316 9.822 3.055 291 HD11 ILE 38 3HD1 ILE 38 1.249 11.471 -0.088 292 HD12 ILE 38 1HD1 ILE 38 0.450 10.185 0.813 293 HD13 ILE 38 2HD1 ILE 38 2.169 10.487 1.052 294 H TYR 39 H TYR 39 -0.890 11.150 5.718 295 HA TYR 39 HA TYR 39 0.315 9.131 7.285 296 HB2 TYR 39 2HB TYR 39 -0.088 11.393 8.142 297 HB3 TYR 39 1HB TYR 39 -1.825 11.130 8.060 298 HD1 TYR 39 HD2 TYR 39 1.248 9.708 9.644 299 HD2 TYR 39 HD1 TYR 39 -2.945 10.388 9.967 300 HE1 TYR 39 HE2 TYR 39 1.289 8.836 11.941 301 HE2 TYR 39 HE1 TYR 39 -2.913 9.515 12.264 302 HH TYR 39 HH TYR 39 0.005 8.957 13.973 303 H GLN 40 H GLN 40 -2.952 9.498 6.052 304 HA GLN 40 HA GLN 40 -4.230 7.447 7.493 305 HB2 GLN 40 2HB GLN 40 -5.320 9.164 5.993 306 HB3 GLN 40 1HB GLN 40 -4.759 8.230 4.614 307 HG2 GLN 40 2HG GLN 40 -6.072 6.298 5.457 308 HG3 GLN 40 1HG GLN 40 -6.708 7.335 6.733 309 HE21 GLN 40 1HE2 GLN 40 -8.211 5.975 4.695 310 HE22 GLN 40 2HE2 GLN 40 -9.023 7.192 3.773 311 H VAL 41 H VAL 41 -2.437 7.385 4.427 312 HA VAL 41 HA VAL 41 -2.819 4.661 3.823 313 HB VAL 41 HB VAL 41 -0.530 6.475 3.022 314 HG11 VAL 41 1HG1 VAL 41 -0.217 4.934 1.134 315 HG12 VAL 41 2HG1 VAL 41 -1.452 3.868 1.799 316 HG13 VAL 41 3HG1 VAL 41 0.054 4.129 2.677 317 HG21 VAL 41 3HG2 VAL 41 -1.806 6.826 0.967 318 HG22 VAL 41 1HG2 VAL 41 -2.725 7.347 2.377 319 HG23 VAL 41 2HG2 VAL 41 -3.107 5.816 1.593 320 H ARG 42 H ARG 42 -0.286 6.288 5.742 321 HA ARG 42 HA ARG 42 1.462 4.228 6.287 322 HB2 ARG 42 2HB ARG 42 0.416 6.481 7.950 323 HB3 ARG 42 1HB ARG 42 1.320 5.222 8.771 324 HG2 ARG 42 2HG ARG 42 2.791 7.027 8.244 325 HG3 ARG 42 1HG ARG 42 3.224 5.635 7.259 326 HD2 ARG 42 2HD ARG 42 2.712 6.685 5.324 327 HD3 ARG 42 1HD ARG 42 1.310 7.499 6.017 328 HE ARG 42 HE ARG 42 2.672 9.257 6.697 329 HH11 ARG 42 1HH1 ARG 42 4.573 6.808 5.174 330 HH12 ARG 42 2HH1 ARG 42 5.952 7.842 5.025 331 HH21 ARG 42 1HH2 ARG 42 4.438 10.539 6.501 332 HH22 ARG 42 2HH2 ARG 42 5.887 9.914 5.790 333 H LEU 43 H LEU 43 -1.584 4.863 8.004 334 HA LEU 43 HA LEU 43 -1.457 2.708 9.796 335 HB2 LEU 43 2HB LEU 43 -3.925 4.058 8.682 336 HB3 LEU 43 1HB LEU 43 -3.848 3.105 10.155 337 HG LEU 43 HG LEU 43 -2.460 5.751 9.679 338 HD11 LEU 43 1HD1 LEU 43 -4.867 5.992 9.956 339 HD12 LEU 43 2HD1 LEU 43 -4.007 6.615 11.363 340 HD13 LEU 43 3HD1 LEU 43 -4.804 5.045 11.443 341 HD21 LEU 43 3HD2 LEU 43 -1.871 5.628 12.072 342 HD22 LEU 43 1HD2 LEU 43 -1.113 4.346 11.126 343 HD23 LEU 43 2HD2 LEU 43 -2.517 3.987 12.132 344 H TYR 44 H TYR 44 -3.153 2.968 6.665 345 HA TYR 44 HA TYR 44 -4.275 0.406 6.611 346 HB2 TYR 44 2HB TYR 44 -3.379 2.221 4.367 347 HB3 TYR 44 1HB TYR 44 -4.169 0.679 4.070 348 HD1 TYR 44 HD2 TYR 44 -4.818 3.509 6.453 349 HD2 TYR 44 HD1 TYR 44 -6.355 0.981 3.390 350 HE1 TYR 44 HE2 TYR 44 -7.008 4.608 6.650 351 HE2 TYR 44 HE1 TYR 44 -8.550 2.070 3.583 352 HH TYR 44 HH TYR 44 -9.838 3.367 5.136 353 H LEU 45 H LEU 45 -1.116 1.470 5.316 354 HA LEU 45 HA LEU 45 -0.403 -1.011 4.175 355 HB2 LEU 45 2HB LEU 45 1.416 1.191 5.165 356 HB3 LEU 45 1HB LEU 45 1.890 -0.117 4.096 357 HG LEU 45 HG LEU 45 -0.026 2.135 3.469 358 HD11 LEU 45 1HD1 LEU 45 1.623 2.736 1.777 359 HD12 LEU 45 2HD1 LEU 45 2.664 1.415 2.312 360 HD13 LEU 45 3HD1 LEU 45 2.321 2.766 3.398 361 HD21 LEU 45 3HD2 LEU 45 -0.183 1.170 1.215 362 HD22 LEU 45 1HD2 LEU 45 -0.858 0.094 2.440 363 HD23 LEU 45 2HD2 LEU 45 0.736 -0.234 1.758 364 H GLU 46 H GLU 46 0.444 0.410 7.333 365 HA GLU 46 HA GLU 46 2.127 -1.672 8.183 366 HB2 GLU 46 2HB GLU 46 0.481 0.308 9.756 367 HB3 GLU 46 1HB GLU 46 1.597 -0.824 10.511 368 HG2 GLU 46 2HG GLU 46 3.423 0.152 9.114 369 HG3 GLU 46 1HG GLU 46 2.275 1.369 8.558 370 H GLN 47 H GLN 47 -1.392 -1.254 8.618 371 HA GLN 47 HA GLN 47 -1.762 -3.603 10.161 372 HB2 GLN 47 2HB GLN 47 -3.710 -2.155 8.355 373 HB3 GLN 47 1HB GLN 47 -4.151 -3.422 9.493 374 HG2 GLN 47 2HG GLN 47 -3.225 -2.000 11.325 375 HG3 GLN 47 1HG GLN 47 -3.010 -0.713 10.143 376 HE21 GLN 47 1HE2 GLN 47 -4.661 -0.806 12.540 377 HE22 GLN 47 2HE2 GLN 47 -6.279 -0.497 12.021 378 H LEU 48 H LEU 48 -1.875 -3.039 6.652 379 HA LEU 48 HA LEU 48 -2.569 -5.658 5.880 380 HB2 LEU 48 2HB LEU 48 -0.945 -3.548 4.453 381 HB3 LEU 48 1HB LEU 48 -1.415 -5.066 3.710 382 HG LEU 48 HG LEU 48 -3.321 -2.947 4.725 383 HD11 LEU 48 1HD1 LEU 48 -3.843 -2.587 2.358 384 HD12 LEU 48 2HD1 LEU 48 -2.575 -3.729 1.908 385 HD13 LEU 48 3HD1 LEU 48 -2.158 -2.218 2.719 386 HD21 LEU 48 3HD2 LEU 48 -3.878 -5.521 3.245 387 HD22 LEU 48 1HD2 LEU 48 -5.070 -4.292 3.670 388 HD23 LEU 48 2HD2 LEU 48 -4.251 -5.200 4.939 389 H HIS 49 H HIS 49 0.536 -4.264 6.804 390 HA HIS 49 HA HIS 49 2.153 -6.482 6.121 391 HB2 HIS 49 2HB HIS 49 3.238 -4.414 6.666 392 HB3 HIS 49 1HB HIS 49 2.470 -4.355 8.249 393 HD1 HIS 49 HD1 HIS 49 4.870 -6.687 6.403 394 HD2 HIS 49 HD2 HIS 49 4.111 -5.223 10.219 395 HE1 HIS 49 HE1 HIS 49 6.681 -7.630 7.856 396 HE2 HIS 49 HE2 HIS 49 6.048 -6.938 10.185 397 H ASP 50 H ASP 50 0.381 -5.677 9.092 398 HA ASP 50 HA ASP 50 1.263 -7.828 10.670 399 HB2 ASP 50 2HB ASP 50 -1.363 -6.327 10.807 400 HB3 ASP 50 1HB ASP 50 -0.689 -7.329 12.088 401 H VAL 51 H VAL 51 -1.675 -7.540 8.657 402 HA VAL 51 HA VAL 51 -2.626 -10.158 9.326 403 HB VAL 51 HB VAL 51 -4.351 -9.785 7.627 404 HG11 VAL 51 1HG1 VAL 51 -4.643 -8.832 9.863 405 HG12 VAL 51 2HG1 VAL 51 -5.398 -7.815 8.635 406 HG13 VAL 51 3HG1 VAL 51 -3.851 -7.346 9.340 407 HG21 VAL 51 3HG2 VAL 51 -3.032 -8.666 5.917 408 HG22 VAL 51 1HG2 VAL 51 -2.816 -7.266 6.968 409 HG23 VAL 51 2HG2 VAL 51 -4.421 -7.673 6.358 410 H GLY 52 H GLY 52 -0.023 -9.384 7.471 411 HA2 GLY 52 2HA GLY 52 1.326 -10.971 6.412 412 HA3 GLY 52 1HA GLY 52 -0.047 -12.057 6.327 413 H VAL 53 H VAL 53 -0.068 -8.750 5.111 414 HA VAL 53 HA VAL 53 -0.238 -9.812 2.363 415 HB VAL 53 HB VAL 53 -1.154 -7.114 3.401 416 HG11 VAL 53 1HG1 VAL 53 -1.462 -8.367 0.665 417 HG12 VAL 53 2HG1 VAL 53 -0.455 -6.980 1.073 418 HG13 VAL 53 3HG1 VAL 53 -2.209 -6.857 1.188 419 HG21 VAL 53 3HG2 VAL 53 -3.419 -7.938 3.089 420 HG22 VAL 53 1HG2 VAL 53 -2.543 -8.989 4.202 421 HG23 VAL 53 2HG2 VAL 53 -2.802 -9.494 2.532 422 H LEU 54 H LEU 54 0.997 -6.896 4.042 423 HA LEU 54 HA LEU 54 2.951 -6.558 1.871 424 HB2 LEU 54 2HB LEU 54 2.064 -4.597 3.991 425 HB3 LEU 54 1HB LEU 54 3.198 -4.252 2.698 426 HG LEU 54 HG LEU 54 0.261 -4.904 2.380 427 HD11 LEU 54 1HD1 LEU 54 1.788 -2.358 1.832 428 HD12 LEU 54 2HD1 LEU 54 0.714 -2.640 3.203 429 HD13 LEU 54 3HD1 LEU 54 0.064 -2.623 1.564 430 HD21 LEU 54 3HD2 LEU 54 2.339 -4.323 0.267 431 HD22 LEU 54 1HD2 LEU 54 0.602 -4.473 -0.011 432 HD23 LEU 54 2HD2 LEU 54 1.530 -5.868 0.540 433 H GLU 55 H GLU 55 5.082 -5.671 2.431 434 HA GLU 55 HA GLU 55 6.137 -6.516 5.036 435 HB2 GLU 55 2HB GLU 55 6.569 -8.349 3.432 436 HB3 GLU 55 1HB GLU 55 7.386 -7.219 2.361 437 HG2 GLU 55 2HG GLU 55 8.972 -8.573 3.635 438 HG3 GLU 55 1HG GLU 55 9.126 -6.859 4.013 439 H LYS 56 H LYS 56 7.973 -5.346 5.732 440 HA LYS 56 HA LYS 56 8.000 -2.639 4.675 441 HB2 LYS 56 2HB LYS 56 9.274 -2.088 6.698 442 HB3 LYS 56 1HB LYS 56 7.817 -2.992 7.092 443 HG2 LYS 56 2HG LYS 56 9.127 -5.029 7.363 444 HG3 LYS 56 1HG LYS 56 10.594 -4.159 6.912 445 HD2 LYS 56 2HD LYS 56 10.259 -2.678 8.886 446 HD3 LYS 56 1HD LYS 56 8.881 -3.680 9.355 447 HE2 LYS 56 2HE LYS 56 10.933 -4.298 10.574 448 HE3 LYS 56 1HE LYS 56 10.331 -5.621 9.574 449 HZ1 LYS 56 3HZ LYS 56 12.501 -3.768 8.745 450 HZ2 LYS 56 1HZ LYS 56 11.999 -5.171 7.944 451 HZ3 LYS 56 2HZ LYS 56 12.768 -5.285 9.448 452 H VAL 57 H VAL 57 9.685 -1.602 3.698 453 HA VAL 57 HA VAL 57 12.269 -3.029 3.469 454 HB VAL 57 HB VAL 57 11.115 -1.047 1.490 455 HG11 VAL 57 1HG1 VAL 57 13.538 -0.976 1.514 456 HG12 VAL 57 2HG1 VAL 57 12.976 -1.746 0.030 457 HG13 VAL 57 3HG1 VAL 57 13.620 -2.732 1.346 458 HG21 VAL 57 3HG2 VAL 57 11.357 -4.048 1.256 459 HG22 VAL 57 1HG2 VAL 57 10.834 -2.954 -0.024 460 HG23 VAL 57 2HG2 VAL 57 9.858 -3.134 1.434 461 H ASN 58 H ASN 58 13.127 -2.099 5.310 462 HA ASN 58 HA ASN 58 14.164 0.580 5.120 463 HB2 ASN 58 2HB ASN 58 13.089 1.329 7.290 464 HB3 ASN 58 1HB ASN 58 11.992 1.210 5.917 465 HD21 ASN 58 1HD2 ASN 58 10.208 1.001 7.285 466 HD22 ASN 58 2HD2 ASN 58 9.887 -0.463 8.139 467 H ALA 59 H ALA 59 14.894 1.046 7.747 468 HA ALA 59 HA ALA 59 16.893 -1.007 8.173 469 HB1 ALA 59 3HB ALA 59 16.389 1.545 9.701 470 HB2 ALA 59 1HB ALA 59 17.492 1.355 8.339 471 HB3 ALA 59 2HB ALA 59 17.804 0.504 9.851 472 H GLY 60 H GLY 60 14.403 0.493 10.281 473 HA2 GLY 60 2HA GLY 60 14.619 -1.855 12.065 474 HA3 GLY 60 1HA GLY 60 14.074 -0.263 12.557 475 H LYS 61 H LYS 61 12.033 -0.542 13.259 476 HA LYS 61 HA LYS 61 10.115 -1.873 11.434 477 HB2 LYS 61 2HB LYS 61 9.973 -1.840 14.464 478 HB3 LYS 61 1HB LYS 61 8.806 -2.585 13.383 479 HG2 LYS 61 2HG LYS 61 10.036 -4.392 14.121 480 HG3 LYS 61 1HG LYS 61 10.808 -4.018 12.580 481 HD2 LYS 61 2HD LYS 61 12.603 -2.846 13.726 482 HD3 LYS 61 1HD LYS 61 11.805 -3.087 15.283 483 HE2 LYS 61 2HE LYS 61 12.036 -5.535 14.983 484 HE3 LYS 61 1HE LYS 61 12.907 -5.242 13.476 485 HZ1 LYS 61 3HZ LYS 61 14.399 -5.644 15.340 486 HZ2 LYS 61 1HZ LYS 61 13.771 -4.306 16.158 487 HZ3 LYS 61 2HZ LYS 61 14.615 -4.092 14.706 488 H GLY 62 H GLY 62 8.064 -0.891 11.197 489 HA2 GLY 62 2HA GLY 62 6.394 0.697 11.454 490 HA3 GLY 62 1HA GLY 62 7.245 1.321 12.853 491 H VAL 63 H VAL 63 9.702 1.960 11.523 492 HA VAL 63 HA VAL 63 9.252 4.561 10.691 493 HB VAL 63 HB VAL 63 11.572 4.525 9.792 494 HG11 VAL 63 1HG1 VAL 63 11.220 3.205 12.487 495 HG12 VAL 63 2HG1 VAL 63 11.169 4.936 12.161 496 HG13 VAL 63 3HG1 VAL 63 12.671 4.042 11.932 497 HG21 VAL 63 3HG2 VAL 63 11.501 1.587 10.515 498 HG22 VAL 63 1HG2 VAL 63 12.928 2.493 10.011 499 HG23 VAL 63 2HG2 VAL 63 11.597 2.247 8.880 500 HA PRO 64 HA PRO 64 7.606 4.057 6.609 501 HB2 PRO 64 2HB PRO 64 7.877 6.606 5.704 502 HB3 PRO 64 1HB PRO 64 6.666 6.134 6.902 503 HG2 PRO 64 2HG PRO 64 9.341 7.423 7.321 504 HG3 PRO 64 1HG PRO 64 7.782 7.808 8.077 505 HD2 PRO 64 2HD PRO 64 9.676 6.326 9.328 506 HD3 PRO 64 1HD PRO 64 7.939 6.069 9.589 507 H GLY 65 H GLY 65 8.248 3.691 4.521 508 HA2 GLY 65 2HA GLY 65 10.547 4.805 3.285 509 HA3 GLY 65 1HA GLY 65 10.921 3.197 3.892 510 H LEU 66 H LEU 66 10.723 1.654 2.380 511 HA LEU 66 HA LEU 66 8.676 1.995 0.275 512 HB2 LEU 66 2HB LEU 66 11.137 0.235 0.283 513 HB3 LEU 66 1HB LEU 66 9.987 0.371 -1.033 514 HG LEU 66 HG LEU 66 11.784 2.584 -0.023 515 HD11 LEU 66 1HD1 LEU 66 12.905 2.344 -2.196 516 HD12 LEU 66 2HD1 LEU 66 11.881 0.955 -2.562 517 HD13 LEU 66 3HD1 LEU 66 13.024 0.878 -1.223 518 HD21 LEU 66 3HD2 LEU 66 9.843 2.551 -2.336 519 HD22 LEU 66 1HD2 LEU 66 10.968 3.856 -1.957 520 HD23 LEU 66 2HD2 LEU 66 9.660 3.468 -0.839 521 H TRP 67 H TRP 67 7.439 0.101 -0.369 522 HA TRP 67 HA TRP 67 7.153 -1.895 1.792 523 HB2 TRP 67 2HB TRP 67 4.894 -0.445 0.381 524 HB3 TRP 67 1HB TRP 67 4.698 -1.732 1.566 525 HD1 TRP 67 HD1 TRP 67 5.637 1.966 1.292 526 HE1 TRP 67 HE1 TRP 67 5.521 3.023 3.633 527 HE3 TRP 67 HE3 TRP 67 4.891 -2.272 4.054 528 HZ2 TRP 67 HZ2 TRP 67 5.165 2.174 6.302 529 HZ3 TRP 67 HZ3 TRP 67 4.672 -2.064 6.498 530 HH2 TRP 67 HH2 TRP 67 4.807 0.114 7.598 531 H ARG 68 H ARG 68 7.366 -3.894 1.038 532 HA ARG 68 HA ARG 68 6.497 -4.544 -1.711 533 HB2 ARG 68 2HB ARG 68 8.294 -6.037 0.226 534 HB3 ARG 68 1HB ARG 68 7.751 -6.708 -1.307 535 HG2 ARG 68 2HG ARG 68 8.925 -5.033 -2.542 536 HG3 ARG 68 1HG ARG 68 9.309 -4.141 -1.068 537 HD2 ARG 68 2HD ARG 68 11.253 -5.369 -1.829 538 HD3 ARG 68 1HD ARG 68 10.685 -6.025 -0.295 539 HE ARG 68 HE ARG 68 9.534 -7.539 -2.340 540 HH11 ARG 68 1HH1 ARG 68 12.672 -6.880 -1.061 541 HH12 ARG 68 2HH1 ARG 68 13.305 -8.415 -1.540 542 HH21 ARG 68 1HH2 ARG 68 10.355 -9.503 -2.926 543 HH22 ARG 68 2HH2 ARG 68 12.003 -9.896 -2.558 544 H LEU 69 H LEU 69 5.819 -7.134 -1.595 545 HA LEU 69 HA LEU 69 3.960 -7.453 0.667 546 HB2 LEU 69 2HB LEU 69 2.432 -8.686 -0.926 547 HB3 LEU 69 1HB LEU 69 2.514 -6.949 -1.112 548 HG LEU 69 HG LEU 69 4.207 -7.418 -3.009 549 HD11 LEU 69 1HD1 LEU 69 3.913 -9.557 -4.161 550 HD12 LEU 69 2HD1 LEU 69 2.918 -10.139 -2.826 551 HD13 LEU 69 3HD1 LEU 69 4.622 -9.767 -2.559 552 HD21 LEU 69 3HD2 LEU 69 1.303 -8.176 -3.343 553 HD22 LEU 69 1HD2 LEU 69 2.405 -7.679 -4.629 554 HD23 LEU 69 2HD2 LEU 69 1.960 -6.538 -3.360 555 H LEU 70 H LEU 70 3.344 -9.795 1.050 556 HA LEU 70 HA LEU 70 5.728 -11.333 1.232 557 HB2 LEU 70 2HB LEU 70 2.858 -12.159 1.690 558 HB3 LEU 70 1HB LEU 70 4.253 -13.156 2.066 559 HG LEU 70 HG LEU 70 3.490 -10.533 3.370 560 HD11 LEU 70 1HD1 LEU 70 3.344 -11.890 5.398 561 HD12 LEU 70 2HD1 LEU 70 3.740 -13.333 4.465 562 HD13 LEU 70 3HD1 LEU 70 2.234 -12.466 4.154 563 HD21 LEU 70 3HD2 LEU 70 5.911 -10.594 3.073 564 HD22 LEU 70 1HD2 LEU 70 5.975 -12.200 3.802 565 HD23 LEU 70 2HD2 LEU 70 5.485 -10.808 4.770 566 H GLU 71 H GLU 71 6.590 -11.687 -0.730 567 HA GLU 71 HA GLU 71 5.155 -12.698 -2.992 568 HB2 GLU 71 2HB GLU 71 8.120 -12.406 -2.453 569 HB3 GLU 71 1HB GLU 71 7.432 -12.842 -4.013 570 HG2 GLU 71 2HG GLU 71 6.472 -10.722 -4.312 571 HG3 GLU 71 1HG GLU 71 6.656 -10.302 -2.610 Start of MODEL 15 1 H1 MET 1 1H MET 1 -24.330 -1.917 1.002 2 H2 MET 1 2H MET 1 -24.727 -1.462 -0.579 3 H3 MET 1 3H MET 1 -25.381 -0.618 0.733 4 HA MET 1 HA MET 1 -23.610 0.644 -0.310 5 HB2 MET 1 2HB MET 1 -22.948 -0.432 2.443 6 HB3 MET 1 1HB MET 1 -22.203 0.996 1.735 7 HG2 MET 1 2HG MET 1 -24.405 2.075 1.632 8 HG3 MET 1 1HG MET 1 -25.127 0.648 2.378 9 HE1 MET 1 3HE MET 1 -25.556 3.537 3.557 10 HE2 MET 1 1HE MET 1 -25.299 3.260 5.278 11 HE3 MET 1 2HE MET 1 -26.202 2.083 4.321 12 H SER 2 H SER 2 -21.134 0.888 -0.248 13 HA SER 2 HA SER 2 -19.715 -1.679 -0.514 14 HB2 SER 2 2HB SER 2 -20.270 -1.018 -2.808 15 HB3 SER 2 1HB SER 2 -19.562 0.576 -2.540 16 HG SER 2 HG SER 2 -18.321 -1.479 -3.469 17 H GLU 3 H GLU 3 -17.783 -1.682 0.486 18 HA GLU 3 HA GLU 3 -16.500 0.896 1.138 19 HB2 GLU 3 2HB GLU 3 -16.048 0.107 3.416 20 HB3 GLU 3 1HB GLU 3 -17.777 0.149 3.096 21 HG2 GLU 3 2HG GLU 3 -17.618 -2.322 2.580 22 HG3 GLU 3 1HG GLU 3 -15.983 -2.261 3.235 23 H SER 4 H SER 4 -15.984 -1.321 -0.830 24 HA SER 4 HA SER 4 -13.599 -2.656 0.094 25 HB2 SER 4 2HB SER 4 -15.146 -3.739 -1.517 26 HB3 SER 4 1HB SER 4 -14.735 -2.512 -2.715 27 HG SER 4 HG SER 4 -13.421 -4.215 -3.141 28 H ILE 5 H ILE 5 -12.655 -0.423 0.645 29 HA ILE 5 HA ILE 5 -11.373 0.906 -1.624 30 HB ILE 5 HB ILE 5 -11.434 1.543 1.333 31 HG12 ILE 5 2HG1 ILE 5 -12.406 3.705 0.476 32 HG13 ILE 5 1HG1 ILE 5 -12.410 3.007 -1.138 33 HG21 ILE 5 1HG2 ILE 5 -9.176 2.036 0.601 34 HG22 ILE 5 2HG2 ILE 5 -10.061 3.542 0.837 35 HG23 ILE 5 3HG2 ILE 5 -9.789 2.926 -0.794 36 HD11 ILE 5 3HD1 ILE 5 -14.605 2.914 -0.119 37 HD12 ILE 5 1HD1 ILE 5 -13.958 1.989 1.235 38 HD13 ILE 5 2HD1 ILE 5 -13.975 1.289 -0.384 39 H VAL 6 H VAL 6 -10.485 -1.074 1.176 40 HA VAL 6 HA VAL 6 -7.690 -0.892 0.948 41 HB VAL 6 HB VAL 6 -9.288 -3.263 1.962 42 HG11 VAL 6 1HG1 VAL 6 -7.280 -3.786 3.283 43 HG12 VAL 6 2HG1 VAL 6 -6.429 -2.446 2.514 44 HG13 VAL 6 3HG1 VAL 6 -6.950 -3.829 1.552 45 HG21 VAL 6 3HG2 VAL 6 -9.939 -1.205 3.109 46 HG22 VAL 6 1HG2 VAL 6 -8.248 -0.850 3.461 47 HG23 VAL 6 2HG2 VAL 6 -9.024 -2.258 4.192 48 H THR 7 H THR 7 -10.011 -3.040 -0.650 49 HA THR 7 HA THR 7 -8.293 -4.808 -1.939 50 HB THR 7 HB THR 7 -10.844 -3.595 -3.046 51 HG1 THR 7 HG1 THR 7 -11.782 -4.870 -1.662 52 HG21 THR 7 3HG2 THR 7 -10.949 -5.638 -4.444 53 HG22 THR 7 1HG2 THR 7 -9.339 -6.084 -3.887 54 HG23 THR 7 2HG2 THR 7 -9.569 -4.619 -4.846 55 H LYS 8 H LYS 8 -9.229 -1.514 -2.930 56 HA LYS 8 HA LYS 8 -7.900 -1.495 -5.408 57 HB2 LYS 8 2HB LYS 8 -9.485 0.244 -4.888 58 HB3 LYS 8 1HB LYS 8 -8.543 0.764 -3.498 59 HG2 LYS 8 2HG LYS 8 -6.818 1.642 -4.888 60 HG3 LYS 8 1HG LYS 8 -7.519 0.907 -6.329 61 HD2 LYS 8 2HD LYS 8 -8.846 3.057 -4.667 62 HD3 LYS 8 1HD LYS 8 -7.958 3.348 -6.163 63 HE2 LYS 8 2HE LYS 8 -10.448 1.660 -5.867 64 HE3 LYS 8 1HE LYS 8 -10.364 3.270 -6.577 65 HZ1 LYS 8 3HZ LYS 8 -10.402 1.499 -8.252 66 HZ2 LYS 8 1HZ LYS 8 -8.955 0.875 -7.639 67 HZ3 LYS 8 2HZ LYS 8 -8.985 2.414 -8.337 68 H ILE 9 H ILE 9 -6.781 -0.484 -2.176 69 HA ILE 9 HA ILE 9 -4.187 0.292 -2.866 70 HB ILE 9 HB ILE 9 -5.151 -0.989 -0.296 71 HG12 ILE 9 2HG1 ILE 9 -4.773 1.923 -1.075 72 HG13 ILE 9 1HG1 ILE 9 -6.314 1.102 -0.845 73 HG21 ILE 9 1HG2 ILE 9 -3.153 0.004 0.749 74 HG22 ILE 9 2HG2 ILE 9 -2.592 0.521 -0.841 75 HG23 ILE 9 3HG2 ILE 9 -2.735 -1.198 -0.473 76 HD11 ILE 9 3HD1 ILE 9 -5.804 0.792 1.516 77 HD12 ILE 9 1HD1 ILE 9 -5.747 2.495 1.060 78 HD13 ILE 9 2HD1 ILE 9 -4.248 1.595 1.290 79 H ILE 10 H ILE 10 -5.379 -2.927 -1.871 80 HA ILE 10 HA ILE 10 -2.954 -4.327 -2.077 81 HB ILE 10 HB ILE 10 -5.759 -5.353 -2.597 82 HG12 ILE 10 2HG1 ILE 10 -4.081 -5.403 -0.066 83 HG13 ILE 10 1HG1 ILE 10 -5.451 -4.338 -0.358 84 HG21 ILE 10 1HG2 ILE 10 -3.224 -6.880 -1.973 85 HG22 ILE 10 2HG2 ILE 10 -4.085 -6.877 -3.513 86 HG23 ILE 10 3HG2 ILE 10 -4.841 -7.578 -2.083 87 HD11 ILE 10 3HD1 ILE 10 -5.565 -7.341 -0.192 88 HD12 ILE 10 1HD1 ILE 10 -6.935 -6.271 -0.481 89 HD13 ILE 10 2HD1 ILE 10 -6.074 -6.206 1.056 90 H SER 11 H SER 11 -5.453 -3.692 -4.529 91 HA SER 11 HA SER 11 -4.288 -5.118 -6.665 92 HB2 SER 11 2HB SER 11 -6.608 -4.348 -6.748 93 HB3 SER 11 1HB SER 11 -6.077 -2.667 -6.737 94 HG SER 11 HG SER 11 -6.623 -3.759 -8.839 95 H ILE 12 H ILE 12 -3.852 -1.768 -5.583 96 HA ILE 12 HA ILE 12 -2.165 -0.881 -7.659 97 HB ILE 12 HB ILE 12 -2.244 -0.023 -4.749 98 HG12 ILE 12 2HG1 ILE 12 -3.489 1.275 -7.191 99 HG13 ILE 12 1HG1 ILE 12 -4.362 0.244 -6.063 100 HG21 ILE 12 1HG2 ILE 12 -1.154 2.060 -5.513 101 HG22 ILE 12 2HG2 ILE 12 -0.947 1.345 -7.113 102 HG23 ILE 12 3HG2 ILE 12 -0.123 0.642 -5.721 103 HD11 ILE 12 3HD1 ILE 12 -4.792 2.565 -5.595 104 HD12 ILE 12 1HD1 ILE 12 -3.066 2.882 -5.425 105 HD13 ILE 12 2HD1 ILE 12 -3.891 1.841 -4.264 106 H VAL 13 H VAL 13 -1.338 -2.242 -4.455 107 HA VAL 13 HA VAL 13 1.451 -2.296 -4.801 108 HB VAL 13 HB VAL 13 -0.236 -4.173 -3.121 109 HG11 VAL 13 1HG1 VAL 13 2.684 -3.432 -2.877 110 HG12 VAL 13 2HG1 VAL 13 2.056 -4.984 -3.430 111 HG13 VAL 13 3HG1 VAL 13 1.783 -4.464 -1.768 112 HG21 VAL 13 3HG2 VAL 13 -0.685 -1.825 -2.595 113 HG22 VAL 13 1HG2 VAL 13 1.042 -1.531 -2.392 114 HG23 VAL 13 2HG2 VAL 13 0.193 -2.608 -1.282 115 H GLN 14 H GLN 14 -0.985 -4.828 -5.452 116 HA GLN 14 HA GLN 14 0.766 -6.830 -6.343 117 HB2 GLN 14 2HB GLN 14 -1.580 -7.314 -5.855 118 HB3 GLN 14 1HB GLN 14 -2.092 -6.290 -7.190 119 HG2 GLN 14 2HG GLN 14 -2.245 -8.622 -7.826 120 HG3 GLN 14 1HG GLN 14 -0.996 -7.823 -8.782 121 HE21 GLN 14 1HE2 GLN 14 0.070 -9.741 -9.234 122 HE22 GLN 14 2HE2 GLN 14 0.973 -10.607 -8.046 123 H GLU 15 H GLU 15 -0.911 -4.276 -8.166 124 HA GLU 15 HA GLU 15 -0.040 -5.055 -10.720 125 HB2 GLU 15 2HB GLU 15 -1.808 -3.247 -9.918 126 HB3 GLU 15 1HB GLU 15 -0.445 -2.151 -10.104 127 HG2 GLU 15 2HG GLU 15 -1.717 -2.125 -12.124 128 HG3 GLU 15 1HG GLU 15 -0.191 -2.950 -12.447 129 H ARG 16 H ARG 16 1.426 -2.877 -8.325 130 HA ARG 16 HA ARG 16 3.647 -2.101 -9.900 131 HB2 ARG 16 2HB ARG 16 3.385 -2.296 -6.891 132 HB3 ARG 16 1HB ARG 16 4.718 -1.513 -7.729 133 HG2 ARG 16 2HG ARG 16 1.818 -0.681 -7.819 134 HG3 ARG 16 1HG ARG 16 3.119 0.130 -6.946 135 HD2 ARG 16 2HD ARG 16 2.885 -0.185 -9.945 136 HD3 ARG 16 1HD ARG 16 2.629 1.297 -9.025 137 HE ARG 16 HE ARG 16 5.234 -0.067 -9.301 138 HH11 ARG 16 1HH1 ARG 16 3.356 2.792 -8.967 139 HH12 ARG 16 2HH1 ARG 16 4.732 3.833 -8.938 140 HH21 ARG 16 1HH2 ARG 16 6.992 1.264 -9.333 141 HH22 ARG 16 2HH2 ARG 16 6.777 2.976 -9.184 142 H GLN 17 H GLN 17 3.229 -4.804 -7.605 143 HA GLN 17 HA GLN 17 5.800 -5.938 -7.959 144 HB2 GLN 17 2HB GLN 17 3.144 -7.181 -7.210 145 HB3 GLN 17 1HB GLN 17 4.653 -8.083 -7.223 146 HG2 GLN 17 2HG GLN 17 4.199 -5.610 -5.562 147 HG3 GLN 17 1HG GLN 17 3.920 -7.253 -4.985 148 HE21 GLN 17 1HE2 GLN 17 5.489 -7.170 -3.421 149 HE22 GLN 17 2HE2 GLN 17 7.174 -7.117 -3.776 150 H ASN 18 H ASN 18 2.869 -6.078 -9.807 151 HA ASN 18 HA ASN 18 3.626 -8.234 -11.535 152 HB2 ASN 18 2HB ASN 18 1.271 -7.367 -10.898 153 HB3 ASN 18 1HB ASN 18 1.540 -6.130 -12.116 154 HD21 ASN 18 1HD2 ASN 18 -0.359 -7.070 -13.071 155 HD22 ASN 18 2HD2 ASN 18 -0.210 -8.478 -14.057 156 H MET 19 H MET 19 4.250 -4.850 -11.430 157 HA MET 19 HA MET 19 5.296 -4.809 -14.180 158 HB2 MET 19 2HB MET 19 4.748 -2.577 -12.210 159 HB3 MET 19 1HB MET 19 5.495 -2.334 -13.784 160 HG2 MET 19 2HG MET 19 2.757 -3.522 -13.367 161 HG3 MET 19 1HG MET 19 3.072 -1.824 -13.725 162 HE1 MET 19 3HE MET 19 4.590 -1.968 -17.310 163 HE2 MET 19 1HE MET 19 5.463 -1.930 -15.780 164 HE3 MET 19 2HE MET 19 4.029 -0.927 -16.000 165 H ASP 20 H ASP 20 6.357 -3.323 -11.100 166 HA ASP 20 HA ASP 20 9.083 -3.223 -11.849 167 HB2 ASP 20 2HB ASP 20 7.827 -3.011 -9.102 168 HB3 ASP 20 1HB ASP 20 9.487 -2.576 -9.496 169 H ASP 21 H ASP 21 7.645 -5.108 -9.174 170 HA ASP 21 HA ASP 21 8.130 -7.118 -8.246 171 HB2 ASP 21 2HB ASP 21 8.025 -7.931 -10.630 172 HB3 ASP 21 1HB ASP 21 9.774 -7.742 -10.711 173 H GLY 22 H GLY 22 11.143 -6.199 -9.980 174 HA2 GLY 22 2HA GLY 22 12.858 -6.900 -7.820 175 HA3 GLY 22 1HA GLY 22 13.298 -5.929 -9.216 176 H ALA 23 H ALA 23 11.147 -3.965 -8.644 177 HA ALA 23 HA ALA 23 12.489 -2.513 -6.461 178 HB1 ALA 23 3HB ALA 23 10.687 -1.448 -8.644 179 HB2 ALA 23 1HB ALA 23 12.448 -1.374 -8.632 180 HB3 ALA 23 2HB ALA 23 11.521 -0.484 -7.425 181 HA PRO 24 HA PRO 24 8.844 -3.208 -3.965 182 HB2 PRO 24 2HB PRO 24 9.770 -1.064 -2.199 183 HB3 PRO 24 1HB PRO 24 9.671 -2.798 -1.888 184 HG2 PRO 24 2HG PRO 24 12.029 -1.482 -2.166 185 HG3 PRO 24 1HG PRO 24 11.817 -3.182 -2.623 186 HD2 PRO 24 2HD PRO 24 11.855 -0.738 -4.363 187 HD3 PRO 24 1HD PRO 24 12.586 -2.333 -4.646 188 H VAL 25 H VAL 25 7.016 -2.003 -3.014 189 HA VAL 25 HA VAL 25 6.149 0.152 -4.759 190 HB VAL 25 HB VAL 25 4.646 -1.127 -2.460 191 HG11 VAL 25 1HG1 VAL 25 2.643 -0.297 -3.594 192 HG12 VAL 25 2HG1 VAL 25 3.644 0.436 -4.848 193 HG13 VAL 25 3HG1 VAL 25 3.733 1.029 -3.189 194 HG21 VAL 25 3HG2 VAL 25 5.317 -2.835 -4.068 195 HG22 VAL 25 1HG2 VAL 25 4.628 -1.890 -5.387 196 HG23 VAL 25 2HG2 VAL 25 3.579 -2.563 -4.139 197 H LYS 26 H LYS 26 5.694 2.251 -4.118 198 HA LYS 26 HA LYS 26 6.863 3.076 -1.545 199 HB2 LYS 26 2HB LYS 26 6.174 4.811 -3.934 200 HB3 LYS 26 1HB LYS 26 7.038 5.318 -2.496 201 HG2 LYS 26 2HG LYS 26 8.620 5.071 -4.252 202 HG3 LYS 26 1HG LYS 26 8.874 3.736 -3.128 203 HD2 LYS 26 2HD LYS 26 7.736 2.206 -4.601 204 HD3 LYS 26 1HD LYS 26 7.241 3.524 -5.663 205 HE2 LYS 26 2HE LYS 26 10.126 2.822 -5.139 206 HE3 LYS 26 1HE LYS 26 9.189 2.132 -6.464 207 HZ1 LYS 26 3HZ LYS 26 8.810 4.369 -7.303 208 HZ2 LYS 26 1HZ LYS 26 10.464 4.032 -7.204 209 HZ3 LYS 26 2HZ LYS 26 9.737 5.020 -6.047 210 H THR 27 H THR 27 5.725 4.385 -0.101 211 HA THR 27 HA THR 27 2.934 4.139 0.092 212 HB THR 27 HB THR 27 4.661 6.292 1.356 213 HG1 THR 27 HG1 THR 27 5.498 4.446 2.136 214 HG21 THR 27 3HG2 THR 27 2.251 6.776 1.519 215 HG22 THR 27 1HG2 THR 27 2.942 6.384 3.093 216 HG23 THR 27 2HG2 THR 27 1.983 5.183 2.228 217 H ARG 28 H ARG 28 4.926 6.505 -1.506 218 HA ARG 28 HA ARG 28 3.133 8.627 -1.873 219 HB2 ARG 28 2HB ARG 28 5.344 7.638 -3.694 220 HB3 ARG 28 1HB ARG 28 4.553 9.200 -3.839 221 HG2 ARG 28 2HG ARG 28 6.052 8.319 -1.378 222 HG3 ARG 28 1HG ARG 28 6.782 9.235 -2.699 223 HD2 ARG 28 2HD ARG 28 4.417 10.125 -1.034 224 HD3 ARG 28 1HD ARG 28 6.079 10.684 -0.837 225 HE ARG 28 HE ARG 28 4.624 11.099 -3.368 226 HH11 ARG 28 1HH1 ARG 28 6.430 12.335 -0.712 227 HH12 ARG 28 2HH1 ARG 28 6.532 13.925 -1.379 228 HH21 ARG 28 1HH2 ARG 28 4.743 13.126 -4.216 229 HH22 ARG 28 2HH2 ARG 28 5.584 14.371 -3.356 230 H ASP 29 H ASP 29 3.941 6.083 -4.261 231 HA ASP 29 HA ASP 29 2.099 6.729 -6.212 232 HB2 ASP 29 2HB ASP 29 2.994 3.932 -5.461 233 HB3 ASP 29 1HB ASP 29 2.378 4.444 -7.031 234 H ILE 30 H ILE 30 1.624 4.582 -3.416 235 HA ILE 30 HA ILE 30 -1.019 3.790 -4.035 236 HB ILE 30 HB ILE 30 0.299 3.990 -1.313 237 HG12 ILE 30 2HG1 ILE 30 0.060 1.632 -3.213 238 HG13 ILE 30 1HG1 ILE 30 1.528 2.561 -2.932 239 HG21 ILE 30 1HG2 ILE 30 -2.150 2.439 -2.189 240 HG22 ILE 30 2HG2 ILE 30 -2.133 3.849 -1.129 241 HG23 ILE 30 3HG2 ILE 30 -1.388 2.341 -0.601 242 HD11 ILE 30 3HD1 ILE 30 1.577 0.476 -1.713 243 HD12 ILE 30 1HD1 ILE 30 0.070 0.892 -0.897 244 HD13 ILE 30 2HD1 ILE 30 1.526 1.840 -0.595 245 H ALA 31 H ALA 31 0.240 6.492 -2.090 246 HA ALA 31 HA ALA 31 -2.238 7.459 -1.149 247 HB1 ALA 31 3HB ALA 31 -0.074 8.116 -0.196 248 HB2 ALA 31 1HB ALA 31 -1.047 9.518 -0.639 249 HB3 ALA 31 2HB ALA 31 0.296 9.015 -1.667 250 H ASP 32 H ASP 32 -0.307 8.444 -3.982 251 HA ASP 32 HA ASP 32 -2.159 10.369 -4.930 252 HB2 ASP 32 2HB ASP 32 0.115 8.892 -6.253 253 HB3 ASP 32 1HB ASP 32 -0.865 10.071 -7.119 254 H ALA 33 H ALA 33 -1.703 6.936 -5.731 255 HA ALA 33 HA ALA 33 -3.564 6.899 -7.884 256 HB1 ALA 33 3HB ALA 33 -1.772 5.245 -7.657 257 HB2 ALA 33 1HB ALA 33 -3.354 4.475 -7.793 258 HB3 ALA 33 2HB ALA 33 -2.559 4.589 -6.220 259 H ALA 34 H ALA 34 -3.864 5.801 -4.486 260 HA ALA 34 HA ALA 34 -6.643 5.108 -4.806 261 HB1 ALA 34 3HB ALA 34 -5.195 3.903 -3.240 262 HB2 ALA 34 1HB ALA 34 -6.590 4.605 -2.420 263 HB3 ALA 34 2HB ALA 34 -5.008 5.371 -2.281 264 H GLY 35 H GLY 35 -4.909 7.961 -3.772 265 HA2 GLY 35 2HA GLY 35 -5.732 10.124 -3.509 266 HA3 GLY 35 1HA GLY 35 -7.364 9.504 -3.707 267 H LEU 36 H LEU 36 -4.722 8.974 -1.357 268 HA LEU 36 HA LEU 36 -6.572 9.690 0.832 269 HB2 LEU 36 2HB LEU 36 -4.701 7.312 0.791 270 HB3 LEU 36 1HB LEU 36 -5.632 7.833 2.180 271 HG LEU 36 HG LEU 36 -6.837 6.850 -0.416 272 HD11 LEU 36 1HD1 LEU 36 -7.378 4.808 0.810 273 HD12 LEU 36 2HD1 LEU 36 -6.507 5.414 2.221 274 HD13 LEU 36 3HD1 LEU 36 -5.634 5.059 0.728 275 HD21 LEU 36 3HD2 LEU 36 -8.295 8.384 0.784 276 HD22 LEU 36 1HD2 LEU 36 -8.092 7.447 2.266 277 HD23 LEU 36 2HD2 LEU 36 -8.917 6.737 0.877 278 H SER 37 H SER 37 -5.507 10.360 2.824 279 HA SER 37 HA SER 37 -3.092 11.853 2.430 280 HB2 SER 37 2HB SER 37 -4.646 11.229 4.960 281 HB3 SER 37 1HB SER 37 -3.283 12.346 4.878 282 HG SER 37 HG SER 37 -4.464 13.703 3.604 283 H ILE 38 H ILE 38 -1.033 11.494 3.339 284 HA ILE 38 HA ILE 38 0.001 8.950 3.111 285 HB ILE 38 HB ILE 38 1.125 11.222 4.767 286 HG12 ILE 38 2HG1 ILE 38 0.718 11.819 2.410 287 HG13 ILE 38 1HG1 ILE 38 2.442 11.744 2.756 288 HG21 ILE 38 1HG2 ILE 38 2.186 9.107 5.369 289 HG22 ILE 38 2HG2 ILE 38 3.308 10.131 4.475 290 HG23 ILE 38 3HG2 ILE 38 2.521 8.773 3.669 291 HD11 ILE 38 3HD1 ILE 38 1.882 10.773 0.592 292 HD12 ILE 38 1HD1 ILE 38 0.845 9.592 1.388 293 HD13 ILE 38 2HD1 ILE 38 2.585 9.578 1.682 294 H TYR 39 H TYR 39 -1.036 10.546 6.130 295 HA TYR 39 HA TYR 39 -0.312 8.511 7.924 296 HB2 TYR 39 2HB TYR 39 -1.004 10.707 8.710 297 HB3 TYR 39 1HB TYR 39 -2.617 10.478 8.043 298 HD1 TYR 39 HD1 TYR 39 -0.289 8.695 10.385 299 HD2 TYR 39 HD2 TYR 39 -4.281 9.946 9.575 300 HE1 TYR 39 HE1 TYR 39 -1.021 7.738 12.525 301 HE2 TYR 39 HE2 TYR 39 -5.020 8.983 11.715 302 HH TYR 39 HH TYR 39 -4.332 7.322 13.329 303 H GLN 40 H GLN 40 -3.502 9.097 6.434 304 HA GLN 40 HA GLN 40 -4.864 6.835 7.248 305 HB2 GLN 40 2HB GLN 40 -5.867 8.744 6.044 306 HB3 GLN 40 1HB GLN 40 -5.032 8.263 4.578 307 HG2 GLN 40 2HG GLN 40 -7.286 7.585 4.370 308 HG3 GLN 40 1HG GLN 40 -6.328 6.131 4.628 309 HE21 GLN 40 1HE2 GLN 40 -9.184 6.749 5.092 310 HE22 GLN 40 2HE2 GLN 40 -9.482 6.331 6.740 311 H VAL 41 H VAL 41 -2.803 7.202 4.368 312 HA VAL 41 HA VAL 41 -3.119 4.612 3.322 313 HB VAL 41 HB VAL 41 -0.708 6.435 3.074 314 HG11 VAL 41 1HG1 VAL 41 -0.231 5.182 1.011 315 HG12 VAL 41 2HG1 VAL 41 -1.574 4.096 1.365 316 HG13 VAL 41 3HG1 VAL 41 -0.171 4.141 2.433 317 HG21 VAL 41 3HG2 VAL 41 -3.148 6.154 1.310 318 HG22 VAL 41 1HG2 VAL 41 -1.725 7.131 0.941 319 HG23 VAL 41 2HG2 VAL 41 -2.740 7.538 2.323 320 H ARG 42 H ARG 42 -0.572 5.920 5.474 321 HA ARG 42 HA ARG 42 0.905 3.560 5.761 322 HB2 ARG 42 2HB ARG 42 0.568 5.898 7.641 323 HB3 ARG 42 1HB ARG 42 1.652 4.556 7.980 324 HG2 ARG 42 2HG ARG 42 2.730 5.077 5.720 325 HG3 ARG 42 1HG ARG 42 1.839 6.600 5.787 326 HD2 ARG 42 2HD ARG 42 3.769 5.610 7.896 327 HD3 ARG 42 1HD ARG 42 4.155 6.794 6.650 328 HE ARG 42 HE ARG 42 2.773 8.364 7.739 329 HH11 ARG 42 1HH1 ARG 42 2.856 5.359 9.452 330 HH12 ARG 42 2HH1 ARG 42 2.409 6.088 10.951 331 HH21 ARG 42 1HH2 ARG 42 2.193 9.269 9.680 332 HH22 ARG 42 2HH2 ARG 42 2.050 8.270 11.083 333 H LEU 43 H LEU 43 -1.962 4.674 7.520 334 HA LEU 43 HA LEU 43 -1.998 2.753 9.551 335 HB2 LEU 43 2HB LEU 43 -4.317 4.017 8.075 336 HB3 LEU 43 1HB LEU 43 -4.490 3.055 9.530 337 HG LEU 43 HG LEU 43 -3.019 5.693 9.323 338 HD11 LEU 43 1HD1 LEU 43 -4.837 6.553 10.719 339 HD12 LEU 43 2HD1 LEU 43 -5.651 4.990 10.631 340 HD13 LEU 43 3HD1 LEU 43 -5.434 5.957 9.170 341 HD21 LEU 43 3HD2 LEU 43 -2.862 5.544 11.781 342 HD22 LEU 43 1HD2 LEU 43 -1.961 4.262 10.971 343 HD23 LEU 43 2HD2 LEU 43 -3.523 3.911 11.710 344 H TYR 44 H TYR 44 -3.515 2.625 6.325 345 HA TYR 44 HA TYR 44 -4.456 -0.034 6.592 346 HB2 TYR 44 2HB TYR 44 -3.867 1.578 4.099 347 HB3 TYR 44 1HB TYR 44 -4.726 0.039 4.113 348 HD1 TYR 44 HD2 TYR 44 -6.605 0.161 6.229 349 HD2 TYR 44 HD1 TYR 44 -5.325 3.334 3.687 350 HE1 TYR 44 HE2 TYR 44 -8.714 1.344 6.650 351 HE2 TYR 44 HE1 TYR 44 -7.435 4.525 4.114 352 HH TYR 44 HH TYR 44 -9.765 3.962 4.828 353 H LEU 45 H LEU 45 -1.447 1.246 5.167 354 HA LEU 45 HA LEU 45 -0.531 -1.226 4.112 355 HB2 LEU 45 2HB LEU 45 1.046 1.221 4.928 356 HB3 LEU 45 1HB LEU 45 1.679 -0.112 3.977 357 HG LEU 45 HG LEU 45 -0.501 1.814 3.147 358 HD11 LEU 45 1HD1 LEU 45 1.110 2.520 1.448 359 HD12 LEU 45 2HD1 LEU 45 2.303 1.405 2.114 360 HD13 LEU 45 3HD1 LEU 45 1.738 2.770 3.077 361 HD21 LEU 45 3HD2 LEU 45 -0.987 -0.410 2.279 362 HD22 LEU 45 1HD2 LEU 45 0.655 -0.544 1.649 363 HD23 LEU 45 2HD2 LEU 45 -0.452 0.656 0.981 364 H GLU 46 H GLU 46 0.336 0.482 7.129 365 HA GLU 46 HA GLU 46 2.129 -1.474 8.066 366 HB2 GLU 46 2HB GLU 46 0.537 0.609 9.573 367 HB3 GLU 46 1HB GLU 46 1.772 -0.402 10.317 368 HG2 GLU 46 2HG GLU 46 3.404 0.509 8.651 369 HG3 GLU 46 1HG GLU 46 2.154 1.636 8.129 370 H GLN 47 H GLN 47 -1.393 -1.179 8.459 371 HA GLN 47 HA GLN 47 -1.644 -3.375 10.252 372 HB2 GLN 47 2HB GLN 47 -3.641 -2.210 8.300 373 HB3 GLN 47 1HB GLN 47 -4.029 -3.448 9.486 374 HG2 GLN 47 2HG GLN 47 -3.032 -0.674 10.120 375 HG3 GLN 47 1HG GLN 47 -4.707 -1.209 10.209 376 HE21 GLN 47 1HE2 GLN 47 -4.903 -0.778 12.377 377 HE22 GLN 47 2HE2 GLN 47 -4.099 -1.696 13.600 378 H LEU 48 H LEU 48 -1.983 -3.178 6.691 379 HA LEU 48 HA LEU 48 -2.387 -5.909 6.208 380 HB2 LEU 48 2HB LEU 48 -1.024 -3.816 4.504 381 HB3 LEU 48 1HB LEU 48 -1.393 -5.435 3.939 382 HG LEU 48 HG LEU 48 -3.436 -3.395 4.840 383 HD11 LEU 48 1HD1 LEU 48 -2.405 -2.766 2.722 384 HD12 LEU 48 2HD1 LEU 48 -4.069 -3.295 2.472 385 HD13 LEU 48 3HD1 LEU 48 -2.730 -4.372 2.068 386 HD21 LEU 48 3HD2 LEU 48 -5.092 -4.981 3.970 387 HD22 LEU 48 1HD2 LEU 48 -4.166 -5.678 5.298 388 HD23 LEU 48 2HD2 LEU 48 -3.806 -6.142 3.635 389 H HIS 49 H HIS 49 0.586 -4.113 6.777 390 HA HIS 49 HA HIS 49 2.387 -6.251 6.279 391 HB2 HIS 49 2HB HIS 49 3.268 -4.030 6.346 392 HB3 HIS 49 1HB HIS 49 2.625 -3.748 7.959 393 HD1 HIS 49 HD1 HIS 49 4.645 -6.797 6.955 394 HD2 HIS 49 HD2 HIS 49 5.010 -3.362 9.266 395 HE1 HIS 49 HE1 HIS 49 6.798 -7.057 8.209 396 HE2 HIS 49 HE2 HIS 49 7.088 -4.884 9.447 397 H ASP 50 H ASP 50 0.769 -5.115 9.221 398 HA ASP 50 HA ASP 50 2.056 -6.855 11.029 399 HB2 ASP 50 2HB ASP 50 0.799 -4.763 11.610 400 HB3 ASP 50 1HB ASP 50 -0.699 -5.633 11.305 401 H VAL 51 H VAL 51 -1.018 -7.169 9.255 402 HA VAL 51 HA VAL 51 -1.693 -9.697 10.417 403 HB VAL 51 HB VAL 51 -3.500 -9.804 8.785 404 HG11 VAL 51 1HG1 VAL 51 -3.860 -8.431 10.751 405 HG12 VAL 51 2HG1 VAL 51 -4.660 -7.701 9.361 406 HG13 VAL 51 3HG1 VAL 51 -3.135 -7.037 9.950 407 HG21 VAL 51 3HG2 VAL 51 -2.208 -7.383 7.523 408 HG22 VAL 51 1HG2 VAL 51 -3.789 -8.033 7.091 409 HG23 VAL 51 2HG2 VAL 51 -2.335 -8.991 6.812 410 H GLY 52 H GLY 52 0.560 -8.855 8.017 411 HA2 GLY 52 2HA GLY 52 2.172 -10.512 7.391 412 HA3 GLY 52 1HA GLY 52 0.912 -11.726 7.449 413 H VAL 53 H VAL 53 -0.128 -8.946 5.777 414 HA VAL 53 HA VAL 53 0.016 -10.318 3.226 415 HB VAL 53 HB VAL 53 -1.039 -7.553 3.886 416 HG11 VAL 53 1HG1 VAL 53 -1.377 -9.201 1.372 417 HG12 VAL 53 2HG1 VAL 53 -0.426 -7.724 1.532 418 HG13 VAL 53 3HG1 VAL 53 -2.179 -7.666 1.711 419 HG21 VAL 53 3HG2 VAL 53 -3.259 -8.565 3.767 420 HG22 VAL 53 1HG2 VAL 53 -2.286 -9.337 5.018 421 HG23 VAL 53 2HG2 VAL 53 -2.537 -10.147 3.473 422 H LEU 54 H LEU 54 1.239 -7.219 4.508 423 HA LEU 54 HA LEU 54 3.076 -7.015 2.210 424 HB2 LEU 54 2HB LEU 54 2.159 -4.878 4.145 425 HB3 LEU 54 1HB LEU 54 3.260 -4.625 2.804 426 HG LEU 54 HG LEU 54 0.355 -5.438 2.557 427 HD11 LEU 54 1HD1 LEU 54 1.723 -2.816 1.943 428 HD12 LEU 54 2HD1 LEU 54 0.641 -3.123 3.301 429 HD13 LEU 54 3HD1 LEU 54 0.025 -3.197 1.651 430 HD21 LEU 54 3HD2 LEU 54 2.405 -4.785 0.435 431 HD22 LEU 54 1HD2 LEU 54 0.686 -5.058 0.151 432 HD23 LEU 54 2HD2 LEU 54 1.699 -6.372 0.751 433 H GLU 55 H GLU 55 5.229 -6.178 2.596 434 HA GLU 55 HA GLU 55 6.274 -6.495 5.332 435 HB2 GLU 55 2HB GLU 55 6.959 -8.459 4.056 436 HB3 GLU 55 1HB GLU 55 7.567 -7.447 2.755 437 HG2 GLU 55 2HG GLU 55 9.375 -8.348 4.116 438 HG3 GLU 55 1HG GLU 55 9.322 -6.589 4.203 439 H LYS 56 H LYS 56 7.776 -4.961 5.980 440 HA LYS 56 HA LYS 56 7.825 -2.545 4.346 441 HB2 LYS 56 2HB LYS 56 7.189 -2.364 6.708 442 HB3 LYS 56 1HB LYS 56 8.745 -3.028 7.187 443 HG2 LYS 56 2HG LYS 56 9.866 -1.070 6.174 444 HG3 LYS 56 1HG LYS 56 8.284 -0.397 5.778 445 HD2 LYS 56 2HD LYS 56 9.159 0.608 7.820 446 HD3 LYS 56 1HD LYS 56 7.715 -0.344 8.170 447 HE2 LYS 56 2HE LYS 56 9.124 -2.193 8.951 448 HE3 LYS 56 1HE LYS 56 10.569 -1.251 8.586 449 HZ1 LYS 56 3HZ LYS 56 10.004 -1.160 10.932 450 HZ2 LYS 56 1HZ LYS 56 8.485 -0.512 10.570 451 HZ3 LYS 56 2HZ LYS 56 9.885 0.371 10.230 452 H VAL 57 H VAL 57 9.378 -2.648 2.813 453 HA VAL 57 HA VAL 57 12.035 -3.649 3.336 454 HB VAL 57 HB VAL 57 11.054 -2.048 0.958 455 HG11 VAL 57 1HG1 VAL 57 13.487 -2.066 1.164 456 HG12 VAL 57 2HG1 VAL 57 12.964 -3.016 -0.225 457 HG13 VAL 57 3HG1 VAL 57 13.479 -3.829 1.254 458 HG21 VAL 57 3HG2 VAL 57 9.728 -4.087 1.239 459 HG22 VAL 57 1HG2 VAL 57 11.207 -5.048 1.295 460 HG23 VAL 57 2HG2 VAL 57 10.765 -4.193 -0.182 461 H ASN 58 H ASN 58 12.939 -2.410 4.970 462 HA ASN 58 HA ASN 58 13.723 0.312 4.225 463 HB2 ASN 58 2HB ASN 58 11.688 0.565 5.586 464 HB3 ASN 58 1HB ASN 58 12.436 -0.367 6.880 465 HD21 ASN 58 1HD2 ASN 58 12.494 2.654 5.127 466 HD22 ASN 58 2HD2 ASN 58 13.407 3.531 6.302 467 H ALA 59 H ALA 59 15.833 0.546 4.477 468 HA ALA 59 HA ALA 59 17.458 -1.425 5.723 469 HB1 ALA 59 3HB ALA 59 19.334 -0.047 5.050 470 HB2 ALA 59 1HB ALA 59 18.250 1.309 4.726 471 HB3 ALA 59 2HB ALA 59 18.155 -0.152 3.740 472 H GLY 60 H GLY 60 16.031 1.506 6.919 473 HA2 GLY 60 2HA GLY 60 16.177 1.236 9.526 474 HA3 GLY 60 1HA GLY 60 17.865 1.608 9.211 475 H LYS 61 H LYS 61 17.398 3.389 10.703 476 HA LYS 61 HA LYS 61 15.596 5.476 10.226 477 HB2 LYS 61 2HB LYS 61 18.307 5.623 11.571 478 HB3 LYS 61 1HB LYS 61 17.006 6.793 11.747 479 HG2 LYS 61 2HG LYS 61 15.644 5.228 12.919 480 HG3 LYS 61 1HG LYS 61 16.741 3.898 12.541 481 HD2 LYS 61 2HD LYS 61 17.066 4.604 14.841 482 HD3 LYS 61 1HD LYS 61 18.502 4.986 13.891 483 HE2 LYS 61 2HE LYS 61 17.638 7.326 13.669 484 HE3 LYS 61 1HE LYS 61 16.334 6.897 14.776 485 HZ1 LYS 61 3HZ LYS 61 19.242 6.946 15.359 486 HZ2 LYS 61 1HZ LYS 61 18.093 6.278 16.406 487 HZ3 LYS 61 2HZ LYS 61 18.040 7.921 16.036 488 H GLY 62 H GLY 62 15.491 6.843 8.552 489 HA2 GLY 62 2HA GLY 62 16.748 8.771 7.535 490 HA3 GLY 62 1HA GLY 62 18.000 7.597 7.153 491 H VAL 63 H VAL 63 16.909 5.551 5.986 492 HA VAL 63 HA VAL 63 16.027 6.532 3.462 493 HB VAL 63 HB VAL 63 15.844 4.163 2.795 494 HG11 VAL 63 1HG1 VAL 63 18.359 4.811 4.337 495 HG12 VAL 63 2HG1 VAL 63 18.008 5.269 2.669 496 HG13 VAL 63 3HG1 VAL 63 18.205 3.568 3.092 497 HG21 VAL 63 3HG2 VAL 63 16.518 3.560 5.682 498 HG22 VAL 63 1HG2 VAL 63 16.437 2.378 4.373 499 HG23 VAL 63 2HG2 VAL 63 14.981 3.231 4.881 500 HA PRO 64 HA PRO 64 11.620 6.514 3.850 501 HB2 PRO 64 2HB PRO 64 10.821 5.694 1.370 502 HB3 PRO 64 1HB PRO 64 11.489 7.300 1.693 503 HG2 PRO 64 2HG PRO 64 12.863 4.862 0.603 504 HG3 PRO 64 1HG PRO 64 12.967 6.545 0.048 505 HD2 PRO 64 2HD PRO 64 14.876 5.436 1.594 506 HD3 PRO 64 1HD PRO 64 14.426 7.148 1.746 507 H GLY 65 H GLY 65 9.773 5.198 4.137 508 HA2 GLY 65 2HA GLY 65 10.296 2.379 4.567 509 HA3 GLY 65 1HA GLY 65 8.803 3.235 4.922 510 H LEU 66 H LEU 66 10.421 1.174 2.724 511 HA LEU 66 HA LEU 66 8.393 1.504 0.632 512 HB2 LEU 66 2HB LEU 66 10.827 -0.288 0.747 513 HB3 LEU 66 1HB LEU 66 9.773 -0.096 -0.642 514 HG LEU 66 HG LEU 66 11.462 2.106 0.571 515 HD11 LEU 66 1HD1 LEU 66 12.834 0.392 -0.503 516 HD12 LEU 66 2HD1 LEU 66 12.849 1.896 -1.421 517 HD13 LEU 66 3HD1 LEU 66 11.872 0.535 -1.974 518 HD21 LEU 66 3HD2 LEU 66 9.802 2.060 -1.955 519 HD22 LEU 66 1HD2 LEU 66 10.850 3.377 -1.428 520 HD23 LEU 66 2HD2 LEU 66 9.427 2.952 -0.478 521 H TRP 67 H TRP 67 7.224 -0.383 -0.203 522 HA TRP 67 HA TRP 67 6.722 -2.433 1.868 523 HB2 TRP 67 2HB TRP 67 4.605 -1.035 0.209 524 HB3 TRP 67 1HB TRP 67 4.321 -2.279 1.423 525 HD1 TRP 67 HD1 TRP 67 4.848 1.435 1.040 526 HE1 TRP 67 HE1 TRP 67 4.644 2.571 3.340 527 HE3 TRP 67 HE3 TRP 67 4.840 -2.732 3.996 528 HZ2 TRP 67 HZ2 TRP 67 4.502 1.794 6.058 529 HZ3 TRP 67 HZ3 TRP 67 4.670 -2.453 6.431 530 HH2 TRP 67 HH2 TRP 67 4.507 -0.236 7.441 531 H ARG 68 H ARG 68 6.190 -4.502 1.169 532 HA ARG 68 HA ARG 68 5.606 -4.978 -1.646 533 HB2 ARG 68 2HB ARG 68 7.346 -6.599 -2.008 534 HB3 ARG 68 1HB ARG 68 8.092 -5.101 -1.473 535 HG2 ARG 68 2HG ARG 68 8.392 -6.013 0.760 536 HG3 ARG 68 1HG ARG 68 7.564 -7.498 0.286 537 HD2 ARG 68 2HD ARG 68 9.331 -7.865 -1.431 538 HD3 ARG 68 1HD ARG 68 10.182 -6.455 -0.801 539 HE ARG 68 HE ARG 68 9.586 -8.538 1.129 540 HH11 ARG 68 1HH1 ARG 68 11.898 -7.245 -1.081 541 HH12 ARG 68 2HH1 ARG 68 13.233 -8.009 -0.297 542 HH21 ARG 68 1HH2 ARG 68 11.301 -9.535 2.102 543 HH22 ARG 68 2HH2 ARG 68 12.897 -9.300 1.476 544 H LEU 69 H LEU 69 4.156 -6.621 -1.905 545 HA LEU 69 HA LEU 69 3.206 -7.999 0.434 546 HB2 LEU 69 2HB LEU 69 1.633 -9.116 -1.225 547 HB3 LEU 69 1HB LEU 69 1.487 -7.385 -1.004 548 HG LEU 69 HG LEU 69 2.904 -7.156 -3.136 549 HD11 LEU 69 1HD1 LEU 69 2.744 -9.043 -4.712 550 HD12 LEU 69 2HD1 LEU 69 2.123 -10.056 -3.408 551 HD13 LEU 69 3HD1 LEU 69 3.758 -9.404 -3.317 552 HD21 LEU 69 3HD2 LEU 69 0.524 -6.654 -3.036 553 HD22 LEU 69 1HD2 LEU 69 0.140 -8.355 -3.323 554 HD23 LEU 69 2HD2 LEU 69 0.951 -7.407 -4.571 555 H LEU 70 H LEU 70 3.314 -10.156 0.938 556 HA LEU 70 HA LEU 70 5.162 -11.793 -0.682 557 HB2 LEU 70 2HB LEU 70 6.109 -12.769 1.332 558 HB3 LEU 70 1HB LEU 70 6.350 -11.037 1.304 559 HG LEU 70 HG LEU 70 4.095 -12.274 2.883 560 HD11 LEU 70 1HD1 LEU 70 5.526 -12.241 4.860 561 HD12 LEU 70 2HD1 LEU 70 6.902 -11.748 3.872 562 HD13 LEU 70 3HD1 LEU 70 6.172 -13.336 3.637 563 HD21 LEU 70 3HD2 LEU 70 3.964 -9.867 2.518 564 HD22 LEU 70 1HD2 LEU 70 5.597 -9.662 3.150 565 HD23 LEU 70 2HD2 LEU 70 4.300 -10.217 4.210 566 H GLU 71 H GLU 71 2.250 -11.676 1.218 567 HA GLU 71 HA GLU 71 1.807 -14.561 0.955 568 HB2 GLU 71 2HB GLU 71 1.334 -13.421 3.117 569 HB3 GLU 71 1HB GLU 71 0.094 -12.464 2.316 570 HG2 GLU 71 2HG GLU 71 -1.066 -14.619 1.741 571 HG3 GLU 71 1HG GLU 71 0.105 -15.446 2.766 Start of MODEL 16 1 H1 MET 1 1H MET 1 -21.653 3.521 -7.748 2 H2 MET 1 2H MET 1 -20.445 2.589 -8.473 3 H3 MET 1 3H MET 1 -20.076 3.565 -7.147 4 HA MET 1 HA MET 1 -21.471 2.246 -5.714 5 HB2 MET 1 2HB MET 1 -21.953 0.670 -8.253 6 HB3 MET 1 1HB MET 1 -22.311 0.040 -6.652 7 HG2 MET 1 2HG MET 1 -23.916 1.820 -6.280 8 HG3 MET 1 1HG MET 1 -23.521 2.528 -7.846 9 HE1 MET 1 3HE MET 1 -24.949 -0.678 -6.037 10 HE2 MET 1 1HE MET 1 -23.755 -1.343 -7.151 11 HE3 MET 1 2HE MET 1 -25.472 -1.643 -7.416 12 H SER 2 H SER 2 -20.550 0.577 -4.517 13 HA SER 2 HA SER 2 -18.962 -0.831 -3.736 14 HB2 SER 2 2HB SER 2 -19.830 -2.298 -5.501 15 HB3 SER 2 1HB SER 2 -18.679 -1.614 -6.649 16 HG SER 2 HG SER 2 -17.096 -2.725 -5.757 17 H GLU 3 H GLU 3 -17.746 1.225 -3.295 18 HA GLU 3 HA GLU 3 -15.163 1.252 -4.719 19 HB2 GLU 3 2HB GLU 3 -16.159 3.444 -4.614 20 HB3 GLU 3 1HB GLU 3 -16.446 3.290 -2.887 21 HG2 GLU 3 2HG GLU 3 -14.556 4.777 -3.428 22 HG3 GLU 3 1HG GLU 3 -14.086 3.409 -2.423 23 H SER 4 H SER 4 -13.935 -0.307 -3.840 24 HA SER 4 HA SER 4 -13.953 -0.790 -0.956 25 HB2 SER 4 2HB SER 4 -12.516 -2.269 -3.182 26 HB3 SER 4 1HB SER 4 -12.592 -2.778 -1.498 27 HG SER 4 HG SER 4 -14.374 -3.170 -3.484 28 H ILE 5 H ILE 5 -12.713 0.658 0.132 29 HA ILE 5 HA ILE 5 -10.489 2.032 -0.917 30 HB ILE 5 HB ILE 5 -11.216 1.554 1.986 31 HG12 ILE 5 2HG1 ILE 5 -13.017 2.652 0.730 32 HG13 ILE 5 1HG1 ILE 5 -12.277 3.779 1.861 33 HG21 ILE 5 1HG2 ILE 5 -8.899 2.260 1.790 34 HG22 ILE 5 2HG2 ILE 5 -9.878 3.564 2.459 35 HG23 ILE 5 3HG2 ILE 5 -9.375 3.617 0.770 36 HD11 ILE 5 3HD1 ILE 5 -11.002 4.771 0.020 37 HD12 ILE 5 1HD1 ILE 5 -12.740 4.850 -0.262 38 HD13 ILE 5 2HD1 ILE 5 -11.766 3.648 -1.106 39 H VAL 6 H VAL 6 -10.606 -0.734 1.351 40 HA VAL 6 HA VAL 6 -7.811 -1.049 1.610 41 HB VAL 6 HB VAL 6 -9.941 -3.189 1.887 42 HG11 VAL 6 1HG1 VAL 6 -8.308 -4.341 3.312 43 HG12 VAL 6 2HG1 VAL 6 -7.119 -3.083 2.974 44 HG13 VAL 6 3HG1 VAL 6 -7.692 -4.128 1.673 45 HG21 VAL 6 3HG2 VAL 6 -10.413 -1.297 3.344 46 HG22 VAL 6 1HG2 VAL 6 -8.759 -1.322 3.951 47 HG23 VAL 6 2HG2 VAL 6 -9.844 -2.667 4.300 48 H THR 7 H THR 7 -10.119 -2.859 -0.450 49 HA THR 7 HA THR 7 -8.233 -4.435 -1.799 50 HB THR 7 HB THR 7 -10.869 -3.437 -2.916 51 HG1 THR 7 HG1 THR 7 -11.656 -5.449 -2.074 52 HG21 THR 7 3HG2 THR 7 -9.218 -5.870 -3.643 53 HG22 THR 7 1HG2 THR 7 -9.384 -4.414 -4.625 54 HG23 THR 7 2HG2 THR 7 -10.786 -5.441 -4.325 55 H LYS 8 H LYS 8 -9.368 -1.151 -2.477 56 HA LYS 8 HA LYS 8 -8.190 -0.743 -4.978 57 HB2 LYS 8 2HB LYS 8 -9.749 0.851 -3.904 58 HB3 LYS 8 1HB LYS 8 -8.520 1.245 -2.712 59 HG2 LYS 8 2HG LYS 8 -8.653 2.985 -4.378 60 HG3 LYS 8 1HG LYS 8 -7.098 2.166 -4.490 61 HD2 LYS 8 2HD LYS 8 -8.018 2.604 -6.706 62 HD3 LYS 8 1HD LYS 8 -7.909 0.872 -6.403 63 HE2 LYS 8 2HE LYS 8 -10.013 1.464 -7.509 64 HE3 LYS 8 1HE LYS 8 -10.296 0.790 -5.907 65 HZ1 LYS 8 3HZ LYS 8 -11.654 2.781 -6.492 66 HZ2 LYS 8 1HZ LYS 8 -10.241 3.705 -6.454 67 HZ3 LYS 8 2HZ LYS 8 -10.789 2.926 -5.052 68 H ILE 9 H ILE 9 -6.843 -0.096 -1.735 69 HA ILE 9 HA ILE 9 -4.250 0.626 -2.501 70 HB ILE 9 HB ILE 9 -5.219 -0.778 -0.000 71 HG12 ILE 9 2HG1 ILE 9 -4.576 2.129 -0.569 72 HG13 ILE 9 1HG1 ILE 9 -6.189 1.449 -0.382 73 HG21 ILE 9 1HG2 ILE 9 -2.545 0.542 -0.472 74 HG22 ILE 9 2HG2 ILE 9 -2.828 -1.188 -0.288 75 HG23 ILE 9 3HG2 ILE 9 -3.127 -0.097 1.065 76 HD11 ILE 9 3HD1 ILE 9 -5.499 2.628 1.613 77 HD12 ILE 9 1HD1 ILE 9 -4.069 1.606 1.752 78 HD13 ILE 9 2HD1 ILE 9 -5.677 0.905 1.948 79 H ILE 10 H ILE 10 -5.464 -2.606 -1.568 80 HA ILE 10 HA ILE 10 -3.107 -4.057 -1.872 81 HB ILE 10 HB ILE 10 -5.942 -4.997 -2.367 82 HG12 ILE 10 2HG1 ILE 10 -4.203 -5.190 0.114 83 HG13 ILE 10 1HG1 ILE 10 -5.518 -4.040 -0.110 84 HG21 ILE 10 1HG2 ILE 10 -3.448 -6.625 -1.852 85 HG22 ILE 10 2HG2 ILE 10 -4.343 -6.544 -3.370 86 HG23 ILE 10 3HG2 ILE 10 -5.090 -7.261 -1.943 87 HD11 ILE 10 3HD1 ILE 10 -5.766 -7.040 0.034 88 HD12 ILE 10 1HD1 ILE 10 -7.095 -5.922 -0.278 89 HD13 ILE 10 2HD1 ILE 10 -6.244 -5.871 1.265 90 H SER 11 H SER 11 -5.624 -3.455 -4.328 91 HA SER 11 HA SER 11 -4.477 -4.948 -6.416 92 HB2 SER 11 2HB SER 11 -5.925 -3.707 -7.927 93 HB3 SER 11 1HB SER 11 -6.812 -4.066 -6.447 94 HG SER 11 HG SER 11 -6.444 -1.931 -5.768 95 H ILE 12 H ILE 12 -4.077 -1.529 -5.547 96 HA ILE 12 HA ILE 12 -2.333 -0.801 -7.637 97 HB ILE 12 HB ILE 12 -2.556 0.318 -4.833 98 HG12 ILE 12 2HG1 ILE 12 -3.711 1.361 -7.439 99 HG13 ILE 12 1HG1 ILE 12 -4.616 0.399 -6.277 100 HG21 ILE 12 1HG2 ILE 12 -0.394 0.899 -5.855 101 HG22 ILE 12 2HG2 ILE 12 -1.430 2.313 -5.674 102 HG23 ILE 12 3HG2 ILE 12 -1.239 1.560 -7.257 103 HD11 ILE 12 3HD1 ILE 12 -5.103 2.768 -6.067 104 HD12 ILE 12 1HD1 ILE 12 -3.401 3.101 -5.745 105 HD13 ILE 12 2HD1 ILE 12 -4.344 2.138 -4.606 106 H VAL 13 H VAL 13 -1.618 -1.939 -4.327 107 HA VAL 13 HA VAL 13 1.159 -1.908 -4.409 108 HB VAL 13 HB VAL 13 -0.655 -3.904 -3.026 109 HG11 VAL 13 1HG1 VAL 13 2.285 -3.368 -2.567 110 HG12 VAL 13 2HG1 VAL 13 1.590 -4.842 -3.240 111 HG13 VAL 13 3HG1 VAL 13 1.265 -4.400 -1.563 112 HG21 VAL 13 3HG2 VAL 13 -1.024 -1.598 -2.320 113 HG22 VAL 13 1HG2 VAL 13 0.700 -1.400 -2.008 114 HG23 VAL 13 2HG2 VAL 13 -0.251 -2.518 -1.031 115 H GLN 14 H GLN 14 -0.969 -4.669 -5.206 116 HA GLN 14 HA GLN 14 1.015 -6.421 -6.109 117 HB2 GLN 14 2HB GLN 14 -1.227 -7.196 -5.631 118 HB3 GLN 14 1HB GLN 14 -1.893 -6.200 -6.918 119 HG2 GLN 14 2HG GLN 14 -0.715 -7.547 -8.583 120 HG3 GLN 14 1HG GLN 14 -0.014 -8.532 -7.297 121 HE21 GLN 14 1HE2 GLN 14 -1.286 -10.057 -6.276 122 HE22 GLN 14 2HE2 GLN 14 -2.854 -10.501 -6.842 123 H GLU 15 H GLU 15 -0.792 -3.936 -7.885 124 HA GLU 15 HA GLU 15 0.141 -4.646 -10.464 125 HB2 GLU 15 2HB GLU 15 -1.836 -3.107 -9.773 126 HB3 GLU 15 1HB GLU 15 -0.627 -1.832 -9.704 127 HG2 GLU 15 2HG GLU 15 -1.728 -1.784 -11.840 128 HG3 GLU 15 1HG GLU 15 -0.052 -2.289 -12.064 129 H ARG 16 H ARG 16 1.303 -2.256 -8.088 130 HA ARG 16 HA ARG 16 3.484 -1.244 -9.522 131 HB2 ARG 16 2HB ARG 16 3.226 -1.724 -6.543 132 HB3 ARG 16 1HB ARG 16 4.492 -0.762 -7.293 133 HG2 ARG 16 2HG ARG 16 1.561 -0.118 -7.575 134 HG3 ARG 16 1HG ARG 16 2.564 0.512 -6.270 135 HD2 ARG 16 2HD ARG 16 2.555 2.214 -7.885 136 HD3 ARG 16 1HD ARG 16 4.104 1.403 -8.107 137 HE ARG 16 HE ARG 16 2.220 0.258 -9.846 138 HH11 ARG 16 1HH1 ARG 16 3.871 3.256 -9.377 139 HH12 ARG 16 2HH1 ARG 16 3.845 3.644 -11.060 140 HH21 ARG 16 1HH2 ARG 16 2.181 0.785 -11.985 141 HH22 ARG 16 2HH2 ARG 16 2.885 2.269 -12.526 142 H GLN 17 H GLN 17 3.229 -4.150 -7.494 143 HA GLN 17 HA GLN 17 5.888 -5.047 -7.721 144 HB2 GLN 17 2HB GLN 17 3.348 -6.682 -7.463 145 HB3 GLN 17 1HB GLN 17 4.976 -7.286 -7.189 146 HG2 GLN 17 2HG GLN 17 3.573 -5.152 -5.592 147 HG3 GLN 17 1HG GLN 17 3.870 -6.816 -5.089 148 HE21 GLN 17 1HE2 GLN 17 5.997 -7.437 -4.591 149 HE22 GLN 17 2HE2 GLN 17 7.216 -6.271 -4.228 150 H ASN 18 H ASN 18 3.063 -5.579 -9.794 151 HA ASN 18 HA ASN 18 4.227 -7.363 -11.620 152 HB2 ASN 18 2HB ASN 18 2.054 -5.302 -12.057 153 HB3 ASN 18 1HB ASN 18 2.467 -6.569 -13.208 154 HD21 ASN 18 1HD2 ASN 18 -0.032 -6.087 -11.843 155 HD22 ASN 18 2HD2 ASN 18 -0.383 -7.529 -10.956 156 H MET 19 H MET 19 4.545 -3.900 -11.311 157 HA MET 19 HA MET 19 5.419 -3.234 -13.893 158 HB2 MET 19 2HB MET 19 6.241 -1.961 -11.278 159 HB3 MET 19 1HB MET 19 6.401 -1.234 -12.868 160 HG2 MET 19 2HG MET 19 3.782 -1.978 -11.580 161 HG3 MET 19 1HG MET 19 4.495 -0.368 -11.565 162 HE1 MET 19 3HE MET 19 3.569 -3.252 -14.231 163 HE2 MET 19 1HE MET 19 2.265 -2.377 -15.029 164 HE3 MET 19 2HE MET 19 2.149 -2.760 -13.307 165 H ASP 20 H ASP 20 7.431 -4.019 -11.026 166 HA ASP 20 HA ASP 20 9.727 -4.423 -12.858 167 HB2 ASP 20 2HB ASP 20 9.834 -2.454 -11.241 168 HB3 ASP 20 1HB ASP 20 9.913 -3.631 -9.946 169 H ASP 21 H ASP 21 10.985 -6.261 -12.614 170 HA ASP 21 HA ASP 21 9.825 -8.555 -11.461 171 HB2 ASP 21 2HB ASP 21 12.705 -8.116 -12.302 172 HB3 ASP 21 1HB ASP 21 11.939 -9.680 -12.026 173 H GLY 22 H GLY 22 9.420 -8.398 -9.301 174 HA2 GLY 22 2HA GLY 22 9.955 -8.676 -7.046 175 HA3 GLY 22 1HA GLY 22 11.658 -8.514 -7.453 176 H ALA 23 H ALA 23 8.967 -6.305 -8.126 177 HA ALA 23 HA ALA 23 10.396 -3.990 -7.385 178 HB1 ALA 23 3HB ALA 23 8.383 -2.792 -7.835 179 HB2 ALA 23 1HB ALA 23 7.400 -4.241 -7.602 180 HB3 ALA 23 2HB ALA 23 8.473 -4.122 -8.991 181 HA PRO 24 HA PRO 24 8.649 -3.429 -3.214 182 HB2 PRO 24 2HB PRO 24 10.228 -1.410 -2.435 183 HB3 PRO 24 1HB PRO 24 10.851 -3.060 -2.545 184 HG2 PRO 24 2HG PRO 24 11.366 -0.738 -4.303 185 HG3 PRO 24 1HG PRO 24 12.365 -2.170 -4.012 186 HD2 PRO 24 2HD PRO 24 10.549 -1.672 -6.203 187 HD3 PRO 24 1HD PRO 24 11.588 -3.087 -5.940 188 H VAL 25 H VAL 25 6.822 -2.226 -2.822 189 HA VAL 25 HA VAL 25 6.024 -0.201 -4.711 190 HB VAL 25 HB VAL 25 4.589 -1.119 -2.207 191 HG11 VAL 25 1HG1 VAL 25 2.579 -0.214 -3.285 192 HG12 VAL 25 2HG1 VAL 25 3.563 0.376 -4.625 193 HG13 VAL 25 3HG1 VAL 25 3.786 1.041 -3.006 194 HG21 VAL 25 3HG2 VAL 25 4.962 -2.995 -3.700 195 HG22 VAL 25 1HG2 VAL 25 4.318 -2.075 -5.060 196 HG23 VAL 25 2HG2 VAL 25 3.260 -2.534 -3.726 197 H LYS 26 H LYS 26 5.866 1.971 -4.437 198 HA LYS 26 HA LYS 26 7.100 3.157 -2.077 199 HB2 LYS 26 2HB LYS 26 6.049 4.523 -4.574 200 HB3 LYS 26 1HB LYS 26 6.999 5.276 -3.304 201 HG2 LYS 26 2HG LYS 26 8.506 4.916 -5.048 202 HG3 LYS 26 1HG LYS 26 8.836 3.612 -3.908 203 HD2 LYS 26 2HD LYS 26 7.636 2.030 -5.266 204 HD3 LYS 26 1HD LYS 26 7.043 3.313 -6.326 205 HE2 LYS 26 2HE LYS 26 9.944 2.531 -5.990 206 HE3 LYS 26 1HE LYS 26 8.905 2.026 -7.323 207 HZ1 LYS 26 3HZ LYS 26 9.621 4.836 -6.672 208 HZ2 LYS 26 1HZ LYS 26 8.655 4.337 -7.965 209 HZ3 LYS 26 2HZ LYS 26 10.288 3.919 -7.924 210 H THR 27 H THR 27 6.001 4.197 -0.492 211 HA THR 27 HA THR 27 3.256 3.956 -0.103 212 HB THR 27 HB THR 27 5.041 6.121 1.058 213 HG1 THR 27 HG1 THR 27 5.964 4.277 1.759 214 HG21 THR 27 3HG2 THR 27 2.634 6.549 1.398 215 HG22 THR 27 1HG2 THR 27 3.449 6.160 2.914 216 HG23 THR 27 2HG2 THR 27 2.458 4.944 2.109 217 H ARG 28 H ARG 28 5.015 6.372 -1.896 218 HA ARG 28 HA ARG 28 3.054 8.404 -2.001 219 HB2 ARG 28 2HB ARG 28 5.263 7.729 -3.958 220 HB3 ARG 28 1HB ARG 28 4.344 9.230 -3.954 221 HG2 ARG 28 2HG ARG 28 6.115 8.255 -1.712 222 HG3 ARG 28 1HG ARG 28 6.534 9.497 -2.895 223 HD2 ARG 28 2HD ARG 28 4.748 10.917 -2.098 224 HD3 ARG 28 1HD ARG 28 4.192 9.658 -0.997 225 HE ARG 28 HE ARG 28 6.787 10.114 -0.278 226 HH11 ARG 28 1HH1 ARG 28 3.982 12.086 -0.616 227 HH12 ARG 28 2HH1 ARG 28 4.454 13.165 0.651 228 HH21 ARG 28 1HH2 ARG 28 7.372 11.493 1.363 229 HH22 ARG 28 2HH2 ARG 28 6.337 12.818 1.771 230 H ASP 29 H ASP 29 3.889 5.914 -4.424 231 HA ASP 29 HA ASP 29 2.052 6.457 -6.380 232 HB2 ASP 29 2HB ASP 29 3.030 3.756 -5.429 233 HB3 ASP 29 1HB ASP 29 2.182 4.022 -6.950 234 H ILE 30 H ILE 30 1.534 4.321 -3.580 235 HA ILE 30 HA ILE 30 -1.037 3.436 -4.227 236 HB ILE 30 HB ILE 30 0.046 3.860 -1.434 237 HG12 ILE 30 2HG1 ILE 30 0.285 1.423 -3.227 238 HG13 ILE 30 1HG1 ILE 30 1.598 2.537 -2.856 239 HG21 ILE 30 1HG2 ILE 30 -2.083 1.983 -2.478 240 HG22 ILE 30 2HG2 ILE 30 -2.355 3.420 -1.491 241 HG23 ILE 30 3HG2 ILE 30 -1.487 2.038 -0.819 242 HD11 ILE 30 3HD1 ILE 30 1.755 0.517 -1.526 243 HD12 ILE 30 1HD1 ILE 30 0.137 0.795 -0.882 244 HD13 ILE 30 2HD1 ILE 30 1.446 1.912 -0.493 245 H ALA 31 H ALA 31 -0.163 6.020 -1.902 246 HA ALA 31 HA ALA 31 -2.771 6.872 -1.338 247 HB1 ALA 31 3HB ALA 31 -0.814 7.501 0.010 248 HB2 ALA 31 1HB ALA 31 -1.756 8.912 -0.471 249 HB3 ALA 31 2HB ALA 31 -0.247 8.534 -1.302 250 H ASP 32 H ASP 32 -0.482 8.033 -3.777 251 HA ASP 32 HA ASP 32 -1.977 10.206 -4.732 252 HB2 ASP 32 2HB ASP 32 0.457 9.748 -5.132 253 HB3 ASP 32 1HB ASP 32 -0.012 8.504 -6.284 254 H ALA 33 H ALA 33 -1.918 6.807 -5.788 255 HA ALA 33 HA ALA 33 -3.702 7.276 -8.009 256 HB1 ALA 33 3HB ALA 33 -2.772 4.670 -6.795 257 HB2 ALA 33 1HB ALA 33 -1.987 5.540 -8.114 258 HB3 ALA 33 2HB ALA 33 -3.597 4.859 -8.343 259 H ALA 34 H ALA 34 -4.059 5.884 -4.758 260 HA ALA 34 HA ALA 34 -6.750 4.980 -5.175 261 HB1 ALA 34 3HB ALA 34 -6.743 4.477 -2.787 262 HB2 ALA 34 1HB ALA 34 -5.235 5.372 -2.593 263 HB3 ALA 34 2HB ALA 34 -5.267 3.899 -3.562 264 H GLY 35 H GLY 35 -5.398 8.040 -4.332 265 HA2 GLY 35 2HA GLY 35 -6.580 10.066 -4.181 266 HA3 GLY 35 1HA GLY 35 -8.072 9.164 -3.971 267 H LEU 36 H LEU 36 -5.444 8.195 -1.997 268 HA LEU 36 HA LEU 36 -6.747 9.410 0.356 269 HB2 LEU 36 2HB LEU 36 -4.938 6.993 0.161 270 HB3 LEU 36 1HB LEU 36 -5.627 7.615 1.649 271 HG LEU 36 HG LEU 36 -7.224 6.499 -0.666 272 HD11 LEU 36 1HD1 LEU 36 -5.921 4.769 0.479 273 HD12 LEU 36 2HD1 LEU 36 -7.648 4.592 0.792 274 HD13 LEU 36 3HD1 LEU 36 -6.593 5.286 2.026 275 HD21 LEU 36 3HD2 LEU 36 -8.478 8.175 0.547 276 HD22 LEU 36 1HD2 LEU 36 -8.061 7.416 2.086 277 HD23 LEU 36 2HD2 LEU 36 -9.100 6.571 0.938 278 H SER 37 H SER 37 -5.194 9.793 2.231 279 HA SER 37 HA SER 37 -2.859 11.272 1.257 280 HB2 SER 37 2HB SER 37 -4.326 12.483 2.776 281 HB3 SER 37 1HB SER 37 -4.171 11.213 3.988 282 HG SER 37 HG SER 37 -2.781 13.145 4.225 283 H ILE 38 H ILE 38 -0.842 11.162 2.581 284 HA ILE 38 HA ILE 38 0.230 8.596 2.361 285 HB ILE 38 HB ILE 38 1.347 10.920 3.947 286 HG12 ILE 38 2HG1 ILE 38 0.904 11.494 1.598 287 HG13 ILE 38 1HG1 ILE 38 2.636 11.417 1.909 288 HG21 ILE 38 1HG2 ILE 38 2.452 8.855 4.575 289 HG22 ILE 38 2HG2 ILE 38 3.539 9.830 3.587 290 HG23 ILE 38 3HG2 ILE 38 2.711 8.443 2.880 291 HD11 ILE 38 3HD1 ILE 38 0.972 9.305 0.545 292 HD12 ILE 38 1HD1 ILE 38 2.699 9.184 0.883 293 HD13 ILE 38 2HD1 ILE 38 2.102 10.417 -0.229 294 H TYR 39 H TYR 39 -0.645 10.357 5.374 295 HA TYR 39 HA TYR 39 0.175 8.343 7.158 296 HB2 TYR 39 2HB TYR 39 -1.074 9.473 8.859 297 HB3 TYR 39 1HB TYR 39 -0.441 10.716 7.787 298 HD1 TYR 39 HD1 TYR 39 -2.003 11.812 6.132 299 HD2 TYR 39 HD2 TYR 39 -3.418 9.224 9.202 300 HE1 TYR 39 HE1 TYR 39 -4.275 12.693 5.825 301 HE2 TYR 39 HE2 TYR 39 -5.693 10.105 8.904 302 HH TYR 39 HH TYR 39 -6.754 12.218 8.016 303 H GLN 40 H GLN 40 -2.947 8.890 5.590 304 HA GLN 40 HA GLN 40 -4.482 6.972 6.918 305 HB2 GLN 40 2HB GLN 40 -5.296 8.770 5.333 306 HB3 GLN 40 1HB GLN 40 -4.747 7.761 4.003 307 HG2 GLN 40 2HG GLN 40 -7.087 7.441 4.243 308 HG3 GLN 40 1HG GLN 40 -6.292 5.975 4.816 309 HE21 GLN 40 1HE2 GLN 40 -8.056 8.820 5.741 310 HE22 GLN 40 2HE2 GLN 40 -8.454 8.301 7.339 311 H VAL 41 H VAL 41 -2.756 6.699 3.821 312 HA VAL 41 HA VAL 41 -3.255 3.986 3.352 313 HB VAL 41 HB VAL 41 -0.877 5.646 2.478 314 HG11 VAL 41 1HG1 VAL 41 -0.609 3.991 0.685 315 HG12 VAL 41 2HG1 VAL 41 -1.900 3.016 1.390 316 HG13 VAL 41 3HG1 VAL 41 -0.395 3.261 2.273 317 HG21 VAL 41 3HG2 VAL 41 -2.148 5.870 0.370 318 HG22 VAL 41 1HG2 VAL 41 -2.981 6.602 1.744 319 HG23 VAL 41 2HG2 VAL 41 -3.507 5.036 1.123 320 H ARG 42 H ARG 42 -0.480 5.536 5.006 321 HA ARG 42 HA ARG 42 0.990 3.204 5.507 322 HB2 ARG 42 2HB ARG 42 0.851 5.782 7.075 323 HB3 ARG 42 1HB ARG 42 1.998 4.495 7.428 324 HG2 ARG 42 2HG ARG 42 2.859 4.723 5.091 325 HG3 ARG 42 1HG ARG 42 1.815 6.132 4.904 326 HD2 ARG 42 2HD ARG 42 3.988 5.824 6.980 327 HD3 ARG 42 1HD ARG 42 4.130 6.747 5.486 328 HE ARG 42 HE ARG 42 2.442 8.263 6.369 329 HH11 ARG 42 1HH1 ARG 42 3.869 6.101 8.648 330 HH12 ARG 42 2HH1 ARG 42 3.566 7.147 9.986 331 HH21 ARG 42 1HH2 ARG 42 2.070 9.593 8.100 332 HH22 ARG 42 2HH2 ARG 42 2.547 9.087 9.684 333 H LEU 43 H LEU 43 -1.800 4.504 7.208 334 HA LEU 43 HA LEU 43 -1.668 2.824 9.488 335 HB2 LEU 43 2HB LEU 43 -4.077 4.032 8.113 336 HB3 LEU 43 1HB LEU 43 -4.114 3.262 9.688 337 HG LEU 43 HG LEU 43 -2.624 5.795 8.974 338 HD11 LEU 43 1HD1 LEU 43 -5.013 6.152 9.125 339 HD12 LEU 43 2HD1 LEU 43 -4.209 6.861 10.525 340 HD13 LEU 43 3HD1 LEU 43 -5.067 5.329 10.684 341 HD21 LEU 43 3HD2 LEU 43 -2.815 4.333 11.609 342 HD22 LEU 43 1HD2 LEU 43 -2.107 5.930 11.371 343 HD23 LEU 43 2HD2 LEU 43 -1.370 4.520 10.614 344 H TYR 44 H TYR 44 -3.507 2.462 6.437 345 HA TYR 44 HA TYR 44 -4.479 -0.135 6.998 346 HB2 TYR 44 2HB TYR 44 -4.046 1.290 4.364 347 HB3 TYR 44 1HB TYR 44 -4.840 -0.277 4.497 348 HD1 TYR 44 HD1 TYR 44 -6.990 -0.443 5.799 349 HD2 TYR 44 HD2 TYR 44 -5.234 3.305 4.806 350 HE1 TYR 44 HE1 TYR 44 -9.137 0.671 6.238 351 HE2 TYR 44 HE2 TYR 44 -7.376 4.430 5.240 352 HH TYR 44 HH TYR 44 -9.791 3.851 5.283 353 H LEU 45 H LEU 45 -1.542 0.932 5.299 354 HA LEU 45 HA LEU 45 -0.617 -1.613 4.510 355 HB2 LEU 45 2HB LEU 45 0.991 0.854 5.202 356 HB3 LEU 45 1HB LEU 45 1.609 -0.547 4.346 357 HG LEU 45 HG LEU 45 -0.529 1.343 3.348 358 HD11 LEU 45 1HD1 LEU 45 1.154 1.979 1.675 359 HD12 LEU 45 2HD1 LEU 45 2.336 0.947 2.482 360 HD13 LEU 45 3HD1 LEU 45 1.675 2.353 3.317 361 HD21 LEU 45 3HD2 LEU 45 0.736 -1.034 1.982 362 HD22 LEU 45 1HD2 LEU 45 -0.386 0.110 1.242 363 HD23 LEU 45 2HD2 LEU 45 -0.927 -0.931 2.560 364 H GLU 46 H GLU 46 -0.167 0.224 7.504 365 HA GLU 46 HA GLU 46 1.633 -1.500 8.797 366 HB2 GLU 46 2HB GLU 46 1.040 0.769 9.600 367 HB3 GLU 46 1HB GLU 46 -0.560 0.185 10.039 368 HG2 GLU 46 2HG GLU 46 0.475 -1.367 11.655 369 HG3 GLU 46 1HG GLU 46 2.059 -0.721 11.234 370 H GLN 47 H GLN 47 -1.923 -1.507 8.715 371 HA GLN 47 HA GLN 47 -2.327 -3.739 10.386 372 HB2 GLN 47 2HB GLN 47 -4.028 -2.804 8.062 373 HB3 GLN 47 1HB GLN 47 -4.546 -3.908 9.325 374 HG2 GLN 47 2HG GLN 47 -3.758 -1.026 9.735 375 HG3 GLN 47 1HG GLN 47 -5.405 -1.640 9.656 376 HE21 GLN 47 1HE2 GLN 47 -5.931 -0.957 11.716 377 HE22 GLN 47 2HE2 GLN 47 -5.280 -1.691 13.138 378 H LEU 48 H LEU 48 -2.199 -3.573 6.809 379 HA LEU 48 HA LEU 48 -2.310 -6.319 6.294 380 HB2 LEU 48 2HB LEU 48 -0.891 -4.139 4.752 381 HB3 LEU 48 1HB LEU 48 -1.161 -5.762 4.144 382 HG LEU 48 HG LEU 48 -3.343 -3.796 4.870 383 HD11 LEU 48 1HD1 LEU 48 -2.345 -4.688 2.163 384 HD12 LEU 48 2HD1 LEU 48 -2.122 -3.092 2.878 385 HD13 LEU 48 3HD1 LEU 48 -3.740 -3.650 2.457 386 HD21 LEU 48 3HD2 LEU 48 -4.845 -5.414 3.784 387 HD22 LEU 48 1HD2 LEU 48 -4.054 -6.102 5.202 388 HD23 LEU 48 2HD2 LEU 48 -3.493 -6.528 3.586 389 H HIS 49 H HIS 49 0.411 -4.316 7.245 390 HA HIS 49 HA HIS 49 2.439 -6.289 6.869 391 HB2 HIS 49 2HB HIS 49 2.974 -3.905 7.028 392 HB3 HIS 49 1HB HIS 49 2.355 -3.851 8.673 393 HD1 HIS 49 HD1 HIS 49 3.914 -4.586 10.537 394 HD2 HIS 49 HD2 HIS 49 5.483 -5.241 6.746 395 HE1 HIS 49 HE1 HIS 49 6.324 -5.165 10.898 396 HE2 HIS 49 HE2 HIS 49 7.215 -5.705 8.609 397 H ASP 50 H ASP 50 0.242 -5.491 9.487 398 HA ASP 50 HA ASP 50 1.535 -7.062 11.503 399 HB2 ASP 50 2HB ASP 50 0.019 -5.082 11.899 400 HB3 ASP 50 1HB ASP 50 -1.340 -6.101 11.439 401 H VAL 51 H VAL 51 -1.191 -7.609 9.303 402 HA VAL 51 HA VAL 51 -1.769 -10.219 10.424 403 HB VAL 51 HB VAL 51 -3.527 -10.360 8.698 404 HG11 VAL 51 1HG1 VAL 51 -4.040 -9.298 10.825 405 HG12 VAL 51 2HG1 VAL 51 -4.906 -8.490 9.520 406 HG13 VAL 51 3HG1 VAL 51 -3.468 -7.745 10.216 407 HG21 VAL 51 3HG2 VAL 51 -2.486 -7.664 7.803 408 HG22 VAL 51 1HG2 VAL 51 -3.969 -8.433 7.234 409 HG23 VAL 51 2HG2 VAL 51 -2.406 -9.170 6.889 410 H GLY 52 H GLY 52 0.730 -9.358 8.569 411 HA2 GLY 52 2HA GLY 52 2.270 -10.743 7.534 412 HA3 GLY 52 1HA GLY 52 1.135 -12.069 7.693 413 H VAL 53 H VAL 53 0.726 -8.976 5.977 414 HA VAL 53 HA VAL 53 0.508 -10.476 3.436 415 HB VAL 53 HB VAL 53 -0.746 -7.813 4.170 416 HG11 VAL 53 1HG1 VAL 53 -0.930 -9.415 1.611 417 HG12 VAL 53 2HG1 VAL 53 -0.159 -7.840 1.814 418 HG13 VAL 53 3HG1 VAL 53 -1.907 -7.995 1.993 419 HG21 VAL 53 3HG2 VAL 53 -2.878 -8.991 4.050 420 HG22 VAL 53 1HG2 VAL 53 -1.825 -9.738 5.252 421 HG23 VAL 53 2HG2 VAL 53 -2.042 -10.502 3.677 422 H LEU 54 H LEU 54 1.765 -7.495 4.921 423 HA LEU 54 HA LEU 54 3.477 -7.106 2.542 424 HB2 LEU 54 2HB LEU 54 2.372 -5.024 4.431 425 HB3 LEU 54 1HB LEU 54 3.511 -4.695 3.138 426 HG LEU 54 HG LEU 54 0.686 -5.718 2.786 427 HD11 LEU 54 1HD1 LEU 54 0.717 -3.398 3.451 428 HD12 LEU 54 2HD1 LEU 54 0.301 -3.517 1.741 429 HD13 LEU 54 3HD1 LEU 54 1.926 -3.025 2.223 430 HD21 LEU 54 3HD2 LEU 54 2.772 -5.000 0.719 431 HD22 LEU 54 1HD2 LEU 54 1.085 -5.396 0.384 432 HD23 LEU 54 2HD2 LEU 54 2.156 -6.616 1.067 433 H GLU 55 H GLU 55 5.572 -6.380 2.794 434 HA GLU 55 HA GLU 55 6.789 -6.594 5.476 435 HB2 GLU 55 2HB GLU 55 7.231 -8.476 3.742 436 HB3 GLU 55 1HB GLU 55 8.191 -7.285 2.883 437 HG2 GLU 55 2HG GLU 55 8.697 -8.134 5.731 438 HG3 GLU 55 1HG GLU 55 9.477 -8.856 4.328 439 H LYS 56 H LYS 56 8.018 -4.802 6.066 440 HA LYS 56 HA LYS 56 7.843 -2.542 4.225 441 HB2 LYS 56 2HB LYS 56 7.231 -2.591 6.786 442 HB3 LYS 56 1HB LYS 56 8.952 -2.316 7.009 443 HG2 LYS 56 2HG LYS 56 7.149 -0.549 5.357 444 HG3 LYS 56 1HG LYS 56 7.545 -0.253 7.046 445 HD2 LYS 56 2HD LYS 56 9.671 -0.507 4.920 446 HD3 LYS 56 1HD LYS 56 8.875 1.025 5.271 447 HE2 LYS 56 2HE LYS 56 10.980 0.874 6.473 448 HE3 LYS 56 1HE LYS 56 9.631 0.876 7.606 449 HZ1 LYS 56 3HZ LYS 56 11.400 -0.758 8.121 450 HZ2 LYS 56 1HZ LYS 56 11.027 -1.583 6.696 451 HZ3 LYS 56 2HZ LYS 56 9.876 -1.459 7.930 452 H VAL 57 H VAL 57 9.443 -2.815 2.732 453 HA VAL 57 HA VAL 57 12.134 -3.545 3.385 454 HB VAL 57 HB VAL 57 10.989 -2.427 0.813 455 HG11 VAL 57 1HG1 VAL 57 12.994 -3.337 -0.268 456 HG12 VAL 57 2HG1 VAL 57 13.634 -3.808 1.308 457 HG13 VAL 57 3HG1 VAL 57 13.410 -2.102 0.921 458 HG21 VAL 57 3HG2 VAL 57 11.515 -5.275 1.678 459 HG22 VAL 57 1HG2 VAL 57 11.021 -4.780 0.057 460 HG23 VAL 57 2HG2 VAL 57 9.938 -4.527 1.426 461 H ASN 58 H ASN 58 13.641 -2.233 4.202 462 HA ASN 58 HA ASN 58 13.865 0.504 3.182 463 HB2 ASN 58 2HB ASN 58 14.257 1.409 5.450 464 HB3 ASN 58 1HB ASN 58 12.634 0.756 5.271 465 HD21 ASN 58 1HD2 ASN 58 15.631 0.510 6.945 466 HD22 ASN 58 2HD2 ASN 58 15.156 -0.760 8.017 467 H ALA 59 H ALA 59 15.891 0.936 2.562 468 HA ALA 59 HA ALA 59 17.966 -1.017 2.963 469 HB1 ALA 59 3HB ALA 59 19.303 0.390 1.491 470 HB2 ALA 59 1HB ALA 59 18.104 1.679 1.610 471 HB3 ALA 59 2HB ALA 59 17.686 0.153 0.829 472 H GLY 60 H GLY 60 17.763 -0.589 5.432 473 HA2 GLY 60 2HA GLY 60 19.292 -0.214 7.173 474 HA3 GLY 60 1HA GLY 60 20.136 0.945 6.164 475 H LYS 61 H LYS 61 20.263 2.540 7.703 476 HA LYS 61 HA LYS 61 17.884 3.439 9.121 477 HB2 LYS 61 2HB LYS 61 19.846 3.269 10.454 478 HB3 LYS 61 1HB LYS 61 20.808 4.164 9.286 479 HG2 LYS 61 2HG LYS 61 19.539 6.204 9.807 480 HG3 LYS 61 1HG LYS 61 18.585 5.301 10.987 481 HD2 LYS 61 2HD LYS 61 21.592 5.578 11.114 482 HD3 LYS 61 1HD LYS 61 20.473 6.656 11.951 483 HE2 LYS 61 2HE LYS 61 20.556 3.658 12.335 484 HE3 LYS 61 1HE LYS 61 21.378 4.818 13.379 485 HZ1 LYS 61 3HZ LYS 61 18.448 4.726 12.901 486 HZ2 LYS 61 1HZ LYS 61 19.251 5.798 13.932 487 HZ3 LYS 61 2HZ LYS 61 19.231 4.144 14.276 488 H GLY 62 H GLY 62 16.766 5.279 8.768 489 HA2 GLY 62 2HA GLY 62 16.143 7.334 7.960 490 HA3 GLY 62 1HA GLY 62 17.843 7.651 7.675 491 H VAL 63 H VAL 63 15.685 5.230 6.201 492 HA VAL 63 HA VAL 63 16.120 6.523 3.578 493 HB VAL 63 HB VAL 63 16.178 4.242 2.559 494 HG11 VAL 63 1HG1 VAL 63 18.335 4.759 4.617 495 HG12 VAL 63 2HG1 VAL 63 18.259 5.460 3.001 496 HG13 VAL 63 3HG1 VAL 63 18.483 3.723 3.198 497 HG21 VAL 63 3HG2 VAL 63 16.371 3.324 5.435 498 HG22 VAL 63 1HG2 VAL 63 16.600 2.305 4.012 499 HG23 VAL 63 2HG2 VAL 63 15.022 3.025 4.337 500 HA PRO 64 HA PRO 64 11.760 6.512 2.766 501 HB2 PRO 64 2HB PRO 64 12.432 5.084 0.217 502 HB3 PRO 64 1HB PRO 64 11.447 6.532 0.472 503 HG2 PRO 64 2HG PRO 64 13.913 6.760 -0.475 504 HG3 PRO 64 1HG PRO 64 13.311 7.912 0.735 505 HD2 PRO 64 2HD PRO 64 15.194 5.606 1.084 506 HD3 PRO 64 1HD PRO 64 15.212 7.206 1.856 507 H GLY 65 H GLY 65 10.188 5.217 3.507 508 HA2 GLY 65 2HA GLY 65 10.640 2.400 3.909 509 HA3 GLY 65 1HA GLY 65 9.217 3.310 4.380 510 H LEU 66 H LEU 66 10.497 1.069 2.194 511 HA LEU 66 HA LEU 66 8.307 1.399 0.262 512 HB2 LEU 66 2HB LEU 66 10.723 -0.424 0.184 513 HB3 LEU 66 1HB LEU 66 9.553 -0.218 -1.109 514 HG LEU 66 HG LEU 66 11.399 1.943 -0.067 515 HD11 LEU 66 1HD1 LEU 66 12.626 0.210 -1.271 516 HD12 LEU 66 2HD1 LEU 66 12.566 1.707 -2.204 517 HD13 LEU 66 3HD1 LEU 66 11.514 0.357 -2.634 518 HD21 LEU 66 3HD2 LEU 66 9.478 1.950 -2.399 519 HD22 LEU 66 1HD2 LEU 66 10.631 3.229 -2.013 520 HD23 LEU 66 2HD2 LEU 66 9.308 2.867 -0.903 521 H TRP 67 H TRP 67 7.086 -0.535 -0.408 522 HA TRP 67 HA TRP 67 6.745 -2.456 1.813 523 HB2 TRP 67 2HB TRP 67 4.559 -1.233 0.102 524 HB3 TRP 67 1HB TRP 67 4.321 -2.411 1.390 525 HD1 TRP 67 HD1 TRP 67 5.110 1.284 0.816 526 HE1 TRP 67 HE1 TRP 67 4.808 2.557 3.026 527 HE3 TRP 67 HE3 TRP 67 4.400 -2.693 3.951 528 HZ2 TRP 67 HZ2 TRP 67 4.331 1.961 5.745 529 HZ3 TRP 67 HZ3 TRP 67 4.030 -2.253 6.345 530 HH2 TRP 67 HH2 TRP 67 3.996 0.026 7.223 531 H ARG 68 H ARG 68 7.070 -4.491 1.238 532 HA ARG 68 HA ARG 68 6.558 -5.331 -1.555 533 HB2 ARG 68 2HB ARG 68 8.931 -5.415 -1.073 534 HB3 ARG 68 1HB ARG 68 8.645 -6.294 0.422 535 HG2 ARG 68 2HG ARG 68 7.805 -8.206 -0.889 536 HG3 ARG 68 1HG ARG 68 8.173 -7.323 -2.375 537 HD2 ARG 68 2HD ARG 68 10.539 -7.245 -1.743 538 HD3 ARG 68 1HD ARG 68 10.172 -8.107 -0.249 539 HE ARG 68 HE ARG 68 9.390 -9.472 -2.670 540 HH11 ARG 68 1HH1 ARG 68 11.804 -9.066 -0.238 541 HH12 ARG 68 2HH1 ARG 68 12.611 -10.542 -0.652 542 HH21 ARG 68 1HH2 ARG 68 10.434 -11.376 -3.163 543 HH22 ARG 68 2HH2 ARG 68 11.847 -11.825 -2.272 544 H LEU 69 H LEU 69 5.023 -6.890 -1.809 545 HA LEU 69 HA LEU 69 3.798 -8.047 0.534 546 HB2 LEU 69 2HB LEU 69 2.274 -9.169 -1.114 547 HB3 LEU 69 1HB LEU 69 2.278 -7.418 -1.151 548 HG LEU 69 HG LEU 69 3.874 -7.616 -3.148 549 HD11 LEU 69 1HD1 LEU 69 2.862 -10.456 -3.086 550 HD12 LEU 69 2HD1 LEU 69 4.538 -9.928 -2.934 551 HD13 LEU 69 3HD1 LEU 69 3.677 -9.698 -4.455 552 HD21 LEU 69 3HD2 LEU 69 1.537 -6.931 -3.337 553 HD22 LEU 69 1HD2 LEU 69 1.043 -8.623 -3.434 554 HD23 LEU 69 2HD2 LEU 69 2.031 -7.916 -4.714 555 H LEU 70 H LEU 70 3.583 -10.262 1.017 556 HA LEU 70 HA LEU 70 5.353 -12.133 -0.369 557 HB2 LEU 70 2HB LEU 70 6.461 -12.894 1.637 558 HB3 LEU 70 1HB LEU 70 6.744 -11.182 1.418 559 HG LEU 70 HG LEU 70 4.716 -12.310 3.364 560 HD11 LEU 70 1HD1 LEU 70 6.339 -11.813 5.113 561 HD12 LEU 70 2HD1 LEU 70 7.517 -11.317 3.897 562 HD13 LEU 70 3HD1 LEU 70 6.982 -12.997 3.976 563 HD21 LEU 70 3HD2 LEU 70 5.879 -9.537 3.066 564 HD22 LEU 70 1HD2 LEU 70 4.770 -10.058 4.334 565 HD23 LEU 70 2HD2 LEU 70 4.235 -10.022 2.657 566 H GLU 71 H GLU 71 4.542 -14.141 -0.507 567 HA GLU 71 HA GLU 71 2.042 -14.683 0.972 568 HB2 GLU 71 2HB GLU 71 1.819 -16.276 -1.238 569 HB3 GLU 71 1HB GLU 71 1.129 -14.668 -1.085 570 HG2 GLU 71 2HG GLU 71 2.210 -14.757 -3.191 571 HG3 GLU 71 1HG GLU 71 3.217 -13.762 -2.145 Start of MODEL 17 1 H1 MET 1 1H MET 1 -11.000 1.537 8.976 2 H2 MET 1 2H MET 1 -11.775 3.039 9.033 3 H3 MET 1 3H MET 1 -10.553 2.763 7.900 4 HA MET 1 HA MET 1 -12.725 2.701 6.866 5 HB2 MET 1 2HB MET 1 -12.475 0.575 5.702 6 HB3 MET 1 1HB MET 1 -10.900 1.309 5.959 7 HG2 MET 1 2HG MET 1 -10.409 -0.211 7.747 8 HG3 MET 1 1HG MET 1 -12.050 -0.857 7.713 9 HE1 MET 1 3HE MET 1 -11.036 -3.326 7.615 10 HE2 MET 1 1HE MET 1 -9.393 -2.677 7.614 11 HE3 MET 1 2HE MET 1 -9.877 -3.856 6.395 12 H SER 2 H SER 2 -14.839 2.043 6.851 13 HA SER 2 HA SER 2 -15.718 0.140 8.927 14 HB2 SER 2 2HB SER 2 -17.328 2.108 7.268 15 HB3 SER 2 1HB SER 2 -18.020 0.976 8.431 16 HG SER 2 HG SER 2 -17.752 2.693 9.674 17 H GLU 3 H GLU 3 -15.935 0.829 5.447 18 HA GLU 3 HA GLU 3 -16.838 -1.926 4.947 19 HB2 GLU 3 2HB GLU 3 -16.596 0.461 3.099 20 HB3 GLU 3 1HB GLU 3 -17.026 -1.152 2.554 21 HG2 GLU 3 2HG GLU 3 -19.032 0.094 2.751 22 HG3 GLU 3 1HG GLU 3 -19.001 -1.069 4.072 23 H SER 4 H SER 4 -15.755 -3.098 3.113 24 HA SER 4 HA SER 4 -12.925 -3.186 3.541 25 HB2 SER 4 2HB SER 4 -14.597 -4.610 1.451 26 HB3 SER 4 1HB SER 4 -12.927 -4.994 1.868 27 HG SER 4 HG SER 4 -15.260 -5.284 3.460 28 H ILE 5 H ILE 5 -12.102 -1.176 2.906 29 HA ILE 5 HA ILE 5 -12.203 -0.515 0.035 30 HB ILE 5 HB ILE 5 -12.740 1.297 1.605 31 HG12 ILE 5 2HG1 ILE 5 -10.103 1.726 0.160 32 HG13 ILE 5 1HG1 ILE 5 -11.707 1.875 -0.553 33 HG21 ILE 5 1HG2 ILE 5 -11.411 0.581 3.513 34 HG22 ILE 5 2HG2 ILE 5 -11.028 2.246 3.082 35 HG23 ILE 5 3HG2 ILE 5 -9.921 0.948 2.638 36 HD11 ILE 5 3HD1 ILE 5 -10.801 4.052 -0.076 37 HD12 ILE 5 1HD1 ILE 5 -10.540 3.611 1.611 38 HD13 ILE 5 2HD1 ILE 5 -12.181 3.741 0.978 39 H VAL 6 H VAL 6 -10.106 -1.804 2.449 40 HA VAL 6 HA VAL 6 -7.580 -1.027 1.579 41 HB VAL 6 HB VAL 6 -8.321 -3.676 2.843 42 HG11 VAL 6 1HG1 VAL 6 -6.006 -3.667 3.687 43 HG12 VAL 6 2HG1 VAL 6 -5.683 -2.203 2.757 44 HG13 VAL 6 3HG1 VAL 6 -6.067 -3.709 1.924 45 HG21 VAL 6 3HG2 VAL 6 -9.151 -1.790 4.153 46 HG22 VAL 6 1HG2 VAL 6 -7.550 -1.053 4.132 47 HG23 VAL 6 2HG2 VAL 6 -7.807 -2.578 4.979 48 H THR 7 H THR 7 -9.688 -3.515 0.253 49 HA THR 7 HA THR 7 -7.915 -5.107 -1.146 50 HB THR 7 HB THR 7 -10.591 -4.205 -2.245 51 HG1 THR 7 HG1 THR 7 -11.356 -6.109 -1.100 52 HG21 THR 7 3HG2 THR 7 -9.012 -6.760 -2.636 53 HG22 THR 7 1HG2 THR 7 -9.215 -5.480 -3.833 54 HG23 THR 7 2HG2 THR 7 -10.608 -6.423 -3.306 55 H LYS 8 H LYS 8 -9.293 -1.987 -2.164 56 HA LYS 8 HA LYS 8 -8.152 -1.717 -4.681 57 HB2 LYS 8 2HB LYS 8 -9.735 -0.090 -3.855 58 HB3 LYS 8 1HB LYS 8 -8.665 0.359 -2.536 59 HG2 LYS 8 2HG LYS 8 -7.043 1.219 -4.228 60 HG3 LYS 8 1HG LYS 8 -8.243 0.895 -5.477 61 HD2 LYS 8 2HD LYS 8 -8.871 2.632 -3.099 62 HD3 LYS 8 1HD LYS 8 -8.075 3.285 -4.529 63 HE2 LYS 8 2HE LYS 8 -10.481 3.668 -4.616 64 HE3 LYS 8 1HE LYS 8 -9.971 2.590 -5.912 65 HZ1 LYS 8 3HZ LYS 8 -10.866 0.740 -4.774 66 HZ2 LYS 8 1HZ LYS 8 -12.051 1.942 -4.739 67 HZ3 LYS 8 2HZ LYS 8 -11.132 1.624 -3.358 68 H ILE 9 H ILE 9 -6.790 -0.729 -1.546 69 HA ILE 9 HA ILE 9 -4.319 0.221 -2.460 70 HB ILE 9 HB ILE 9 -5.024 -1.000 0.220 71 HG12 ILE 9 2HG1 ILE 9 -4.918 1.889 -0.709 72 HG13 ILE 9 1HG1 ILE 9 -6.382 0.965 -0.388 73 HG21 ILE 9 1HG2 ILE 9 -3.058 0.193 1.096 74 HG22 ILE 9 2HG2 ILE 9 -2.631 0.679 -0.545 75 HG23 ILE 9 3HG2 ILE 9 -2.612 -1.027 -0.097 76 HD11 ILE 9 3HD1 ILE 9 -4.290 1.724 1.640 77 HD12 ILE 9 1HD1 ILE 9 -5.757 0.801 1.968 78 HD13 ILE 9 2HD1 ILE 9 -5.871 2.478 1.436 79 H ILE 10 H ILE 10 -5.210 -3.039 -1.297 80 HA ILE 10 HA ILE 10 -2.698 -4.260 -1.525 81 HB ILE 10 HB ILE 10 -5.415 -5.528 -1.977 82 HG12 ILE 10 2HG1 ILE 10 -3.742 -5.325 0.549 83 HG13 ILE 10 1HG1 ILE 10 -5.211 -4.413 0.219 84 HG21 ILE 10 1HG2 ILE 10 -2.760 -6.813 -1.303 85 HG22 ILE 10 2HG2 ILE 10 -3.622 -6.938 -2.839 86 HG23 ILE 10 3HG2 ILE 10 -4.314 -7.647 -1.381 87 HD11 ILE 10 3HD1 ILE 10 -5.033 -7.407 0.489 88 HD12 ILE 10 1HD1 ILE 10 -6.500 -6.472 0.199 89 HD13 ILE 10 2HD1 ILE 10 -5.621 -6.284 1.715 90 H SER 11 H SER 11 -5.281 -3.893 -3.941 91 HA SER 11 HA SER 11 -4.013 -5.307 -6.038 92 HB2 SER 11 2HB SER 11 -6.417 -4.735 -6.073 93 HB3 SER 11 1HB SER 11 -6.009 -3.031 -6.246 94 HG SER 11 HG SER 11 -6.512 -4.291 -8.229 95 H ILE 12 H ILE 12 -3.913 -1.875 -5.121 96 HA ILE 12 HA ILE 12 -2.352 -0.960 -7.287 97 HB ILE 12 HB ILE 12 -2.494 0.126 -4.460 98 HG12 ILE 12 2HG1 ILE 12 -3.975 1.016 -6.956 99 HG13 ILE 12 1HG1 ILE 12 -4.671 -0.011 -5.709 100 HG21 ILE 12 1HG2 ILE 12 -0.507 0.957 -5.611 101 HG22 ILE 12 2HG2 ILE 12 -1.701 2.244 -5.436 102 HG23 ILE 12 3HG2 ILE 12 -1.491 1.442 -6.993 103 HD11 ILE 12 3HD1 ILE 12 -3.693 2.810 -5.313 104 HD12 ILE 12 1HD1 ILE 12 -4.426 1.778 -4.081 105 HD13 ILE 12 2HD1 ILE 12 -5.375 2.302 -5.473 106 H VAL 13 H VAL 13 -1.365 -2.110 -4.044 107 HA VAL 13 HA VAL 13 1.404 -1.902 -4.285 108 HB VAL 13 HB VAL 13 -0.192 -4.105 -2.933 109 HG11 VAL 13 1HG1 VAL 13 2.716 -3.360 -2.570 110 HG12 VAL 13 2HG1 VAL 13 2.105 -4.843 -3.302 111 HG13 VAL 13 3HG1 VAL 13 1.826 -4.525 -1.591 112 HG21 VAL 13 3HG2 VAL 13 -0.696 -1.864 -2.080 113 HG22 VAL 13 1HG2 VAL 13 1.022 -1.580 -1.797 114 HG23 VAL 13 2HG2 VAL 13 0.171 -2.823 -0.879 115 H GLN 14 H GLN 14 -0.634 -4.702 -5.104 116 HA GLN 14 HA GLN 14 1.300 -6.328 -6.268 117 HB2 GLN 14 2HB GLN 14 -0.959 -7.080 -5.682 118 HB3 GLN 14 1HB GLN 14 -1.639 -6.077 -6.956 119 HG2 GLN 14 2HG GLN 14 -0.549 -7.430 -8.646 120 HG3 GLN 14 1HG GLN 14 0.240 -8.394 -7.396 121 HE21 GLN 14 1HE2 GLN 14 -1.006 -9.835 -6.179 122 HE22 GLN 14 2HE2 GLN 14 -2.557 -10.368 -6.713 123 H GLU 15 H GLU 15 -0.747 -3.854 -7.796 124 HA GLU 15 HA GLU 15 0.026 -4.230 -10.455 125 HB2 GLU 15 2HB GLU 15 -1.871 -2.792 -9.642 126 HB3 GLU 15 1HB GLU 15 -0.687 -1.585 -9.157 127 HG2 GLU 15 2HG GLU 15 -1.543 -0.896 -11.250 128 HG3 GLU 15 1HG GLU 15 0.080 -1.514 -11.551 129 H ARG 16 H ARG 16 1.322 -1.905 -8.085 130 HA ARG 16 HA ARG 16 3.354 -0.743 -9.533 131 HB2 ARG 16 2HB ARG 16 3.316 -1.532 -6.612 132 HB3 ARG 16 1HB ARG 16 4.531 -0.478 -7.322 133 HG2 ARG 16 2HG ARG 16 1.691 0.285 -7.736 134 HG3 ARG 16 1HG ARG 16 2.332 0.431 -6.100 135 HD2 ARG 16 2HD ARG 16 2.573 2.527 -7.316 136 HD3 ARG 16 1HD ARG 16 4.146 1.841 -6.922 137 HE ARG 16 HE ARG 16 3.017 1.417 -9.597 138 HH11 ARG 16 1HH1 ARG 16 5.412 2.836 -7.556 139 HH12 ARG 16 2HH1 ARG 16 6.435 3.270 -8.881 140 HH21 ARG 16 1HH2 ARG 16 4.329 2.043 -11.295 141 HH22 ARG 16 2HH2 ARG 16 5.821 2.847 -10.961 142 H GLN 17 H GLN 17 3.361 -3.888 -7.924 143 HA GLN 17 HA GLN 17 6.114 -4.439 -8.482 144 HB2 GLN 17 2HB GLN 17 3.858 -6.268 -7.636 145 HB3 GLN 17 1HB GLN 17 5.555 -6.739 -7.717 146 HG2 GLN 17 2HG GLN 17 6.127 -5.055 -6.054 147 HG3 GLN 17 1HG GLN 17 4.449 -4.525 -5.991 148 HE21 GLN 17 1HE2 GLN 17 4.280 -4.954 -3.805 149 HE22 GLN 17 2HE2 GLN 17 4.196 -6.558 -3.185 150 H ASN 18 H ASN 18 3.054 -5.460 -10.062 151 HA ASN 18 HA ASN 18 4.166 -7.079 -12.059 152 HB2 ASN 18 2HB ASN 18 1.722 -5.295 -12.137 153 HB3 ASN 18 1HB ASN 18 2.172 -6.348 -13.474 154 HD21 ASN 18 1HD2 ASN 18 0.816 -6.187 -10.318 155 HD22 ASN 18 2HD2 ASN 18 0.359 -7.846 -10.212 156 H MET 19 H MET 19 4.153 -3.617 -11.750 157 HA MET 19 HA MET 19 4.775 -3.004 -14.464 158 HB2 MET 19 2HB MET 19 5.094 -1.378 -11.932 159 HB3 MET 19 1HB MET 19 5.321 -0.743 -13.557 160 HG2 MET 19 2HG MET 19 2.756 -1.900 -12.473 161 HG3 MET 19 1HG MET 19 3.122 -0.184 -12.648 162 HE1 MET 19 3HE MET 19 0.504 -1.567 -13.866 163 HE2 MET 19 1HE MET 19 0.449 -0.795 -15.451 164 HE3 MET 19 2HE MET 19 0.873 0.151 -14.026 165 H ASP 20 H ASP 20 6.779 -3.542 -11.578 166 HA ASP 20 HA ASP 20 9.181 -3.353 -13.294 167 HB2 ASP 20 2HB ASP 20 8.815 -2.254 -10.503 168 HB3 ASP 20 1HB ASP 20 10.382 -2.412 -11.283 169 H ASP 21 H ASP 21 7.498 -5.629 -12.100 170 HA ASP 21 HA ASP 21 7.829 -7.754 -11.415 171 HB2 ASP 21 2HB ASP 21 9.459 -7.776 -13.226 172 HB3 ASP 21 1HB ASP 21 10.702 -7.146 -12.150 173 H GLY 22 H GLY 22 11.061 -6.875 -10.279 174 HA2 GLY 22 2HA GLY 22 10.343 -7.693 -7.571 175 HA3 GLY 22 1HA GLY 22 11.953 -7.286 -8.153 176 H ALA 23 H ALA 23 8.812 -5.626 -7.819 177 HA ALA 23 HA ALA 23 10.257 -3.127 -7.327 178 HB1 ALA 23 3HB ALA 23 8.493 -3.327 -9.096 179 HB2 ALA 23 1HB ALA 23 8.273 -1.996 -7.959 180 HB3 ALA 23 2HB ALA 23 7.308 -3.464 -7.803 181 HA PRO 24 HA PRO 24 8.819 -3.186 -3.007 182 HB2 PRO 24 2HB PRO 24 10.472 -1.245 -2.138 183 HB3 PRO 24 1HB PRO 24 11.050 -2.897 -2.396 184 HG2 PRO 24 2HG PRO 24 11.320 -0.495 -4.175 185 HG3 PRO 24 1HG PRO 24 12.537 -1.718 -3.757 186 HD2 PRO 24 2HD PRO 24 11.109 -1.748 -6.095 187 HD3 PRO 24 1HD PRO 24 11.753 -3.211 -5.322 188 H VAL 25 H VAL 25 6.919 -2.139 -2.642 189 HA VAL 25 HA VAL 25 6.183 0.071 -4.337 190 HB VAL 25 HB VAL 25 4.596 -1.262 -2.129 191 HG11 VAL 25 1HG1 VAL 25 2.627 -0.300 -3.241 192 HG12 VAL 25 2HG1 VAL 25 3.681 0.542 -4.376 193 HG13 VAL 25 3HG1 VAL 25 3.723 0.956 -2.663 194 HG21 VAL 25 3HG2 VAL 25 5.214 -2.866 -3.837 195 HG22 VAL 25 1HG2 VAL 25 4.658 -1.775 -5.107 196 HG23 VAL 25 2HG2 VAL 25 3.500 -2.484 -3.983 197 H LYS 26 H LYS 26 6.023 2.175 -3.864 198 HA LYS 26 HA LYS 26 7.007 3.099 -1.276 199 HB2 LYS 26 2HB LYS 26 6.313 4.671 -3.778 200 HB3 LYS 26 1HB LYS 26 7.075 5.327 -2.342 201 HG2 LYS 26 2HG LYS 26 8.744 5.018 -4.035 202 HG3 LYS 26 1HG LYS 26 9.031 3.848 -2.746 203 HD2 LYS 26 2HD LYS 26 8.112 2.067 -4.057 204 HD3 LYS 26 1HD LYS 26 7.521 3.191 -5.279 205 HE2 LYS 26 2HE LYS 26 10.441 2.794 -4.640 206 HE3 LYS 26 1HE LYS 26 9.589 1.926 -5.917 207 HZ1 LYS 26 3HZ LYS 26 9.989 4.863 -5.740 208 HZ2 LYS 26 1HZ LYS 26 9.037 4.095 -6.910 209 HZ3 LYS 26 2HZ LYS 26 10.700 3.805 -6.854 210 H THR 27 H THR 27 5.759 4.029 0.264 211 HA THR 27 HA THR 27 3.040 3.697 0.457 212 HB THR 27 HB THR 27 4.620 5.933 1.761 213 HG1 THR 27 HG1 THR 27 5.218 4.451 3.244 214 HG21 THR 27 3HG2 THR 27 2.039 4.592 2.605 215 HG22 THR 27 1HG2 THR 27 2.192 6.237 1.987 216 HG23 THR 27 2HG2 THR 27 2.920 5.805 3.535 217 H ARG 28 H ARG 28 4.724 6.488 -0.916 218 HA ARG 28 HA ARG 28 2.399 8.138 -1.096 219 HB2 ARG 28 2HB ARG 28 5.186 8.330 -2.222 220 HB3 ARG 28 1HB ARG 28 3.944 9.502 -2.652 221 HG2 ARG 28 2HG ARG 28 3.709 10.195 -0.368 222 HG3 ARG 28 1HG ARG 28 4.756 8.890 0.190 223 HD2 ARG 28 2HD ARG 28 5.674 11.072 -1.677 224 HD3 ARG 28 1HD ARG 28 5.823 11.169 0.076 225 HE ARG 28 HE ARG 28 7.138 8.995 -0.195 226 HH11 ARG 28 1HH1 ARG 28 7.106 11.510 -2.548 227 HH12 ARG 28 2HH1 ARG 28 8.689 11.124 -3.129 228 HH21 ARG 28 1HH2 ARG 28 9.169 8.545 -0.903 229 HH22 ARG 28 2HH2 ARG 28 9.849 9.459 -2.201 230 H ASP 29 H ASP 29 3.863 5.792 -3.286 231 HA ASP 29 HA ASP 29 2.701 6.510 -5.710 232 HB2 ASP 29 2HB ASP 29 3.152 3.727 -4.596 233 HB3 ASP 29 1HB ASP 29 2.765 4.075 -6.276 234 H ILE 30 H ILE 30 1.351 4.453 -3.156 235 HA ILE 30 HA ILE 30 -1.125 3.918 -4.409 236 HB ILE 30 HB ILE 30 -0.488 3.932 -1.448 237 HG12 ILE 30 2HG1 ILE 30 -0.317 1.675 -3.468 238 HG13 ILE 30 1HG1 ILE 30 1.060 2.521 -2.773 239 HG21 ILE 30 1HG2 ILE 30 -2.347 2.342 -1.251 240 HG22 ILE 30 2HG2 ILE 30 -2.674 2.507 -2.978 241 HG23 ILE 30 3HG2 ILE 30 -2.893 3.888 -1.901 242 HD11 ILE 30 3HD1 ILE 30 0.735 0.392 -1.697 243 HD12 ILE 30 1HD1 ILE 30 -0.924 0.823 -1.288 244 HD13 ILE 30 2HD1 ILE 30 0.421 1.700 -0.556 245 H ALA 31 H ALA 31 -0.075 6.493 -2.222 246 HA ALA 31 HA ALA 31 -2.604 7.639 -1.711 247 HB1 ALA 31 3HB ALA 31 -0.589 8.159 -0.404 248 HB2 ALA 31 1HB ALA 31 -1.387 9.618 -0.996 249 HB3 ALA 31 2HB ALA 31 0.077 9.029 -1.786 250 H ASP 32 H ASP 32 -0.141 8.464 -4.173 251 HA ASP 32 HA ASP 32 -1.664 10.457 -5.480 252 HB2 ASP 32 2HB ASP 32 0.632 8.729 -6.426 253 HB3 ASP 32 1HB ASP 32 -0.092 9.983 -7.428 254 H ALA 33 H ALA 33 -1.234 6.993 -6.211 255 HA ALA 33 HA ALA 33 -2.765 6.923 -8.566 256 HB1 ALA 33 3HB ALA 33 -2.289 4.682 -6.602 257 HB2 ALA 33 1HB ALA 33 -1.199 5.153 -7.906 258 HB3 ALA 33 2HB ALA 33 -2.795 4.505 -8.283 259 H ALA 34 H ALA 34 -3.748 6.031 -5.239 260 HA ALA 34 HA ALA 34 -6.481 5.568 -6.054 261 HB1 ALA 34 3HB ALA 34 -6.880 5.074 -3.685 262 HB2 ALA 34 1HB ALA 34 -5.251 5.628 -3.299 263 HB3 ALA 34 2HB ALA 34 -5.480 4.201 -4.310 264 H GLY 35 H GLY 35 -4.711 8.315 -4.962 265 HA2 GLY 35 2HA GLY 35 -5.390 10.496 -4.604 266 HA3 GLY 35 1HA GLY 35 -7.017 10.016 -5.060 267 H LEU 36 H LEU 36 -4.885 8.970 -2.414 268 HA LEU 36 HA LEU 36 -6.994 9.703 -0.476 269 HB2 LEU 36 2HB LEU 36 -5.031 7.406 -0.351 270 HB3 LEU 36 1HB LEU 36 -6.157 7.829 0.924 271 HG LEU 36 HG LEU 36 -6.932 6.887 -1.849 272 HD11 LEU 36 1HD1 LEU 36 -6.966 5.457 0.812 273 HD12 LEU 36 2HD1 LEU 36 -5.920 5.095 -0.563 274 HD13 LEU 36 3HD1 LEU 36 -7.661 4.838 -0.687 275 HD21 LEU 36 3HD2 LEU 36 -8.582 8.411 -0.870 276 HD22 LEU 36 1HD2 LEU 36 -8.634 7.424 0.590 277 HD23 LEU 36 2HD2 LEU 36 -9.199 6.761 -0.944 278 H SER 37 H SER 37 -5.910 9.673 1.876 279 HA SER 37 HA SER 37 -3.881 11.766 1.794 280 HB2 SER 37 2HB SER 37 -5.739 12.098 3.311 281 HB3 SER 37 1HB SER 37 -5.429 10.555 4.099 282 HG SER 37 HG SER 37 -4.136 12.992 4.383 283 H ILE 38 H ILE 38 -1.833 11.667 2.699 284 HA ILE 38 HA ILE 38 -0.383 9.306 2.419 285 HB ILE 38 HB ILE 38 0.331 11.737 4.074 286 HG12 ILE 38 2HG1 ILE 38 -0.095 12.244 1.706 287 HG13 ILE 38 1HG1 ILE 38 1.611 12.437 2.096 288 HG21 ILE 38 1HG2 ILE 38 1.694 9.846 4.754 289 HG22 ILE 38 2HG2 ILE 38 2.669 11.001 3.845 290 HG23 ILE 38 3HG2 ILE 38 2.116 9.514 3.073 291 HD11 ILE 38 3HD1 ILE 38 1.291 11.364 -0.064 292 HD12 ILE 38 1HD1 ILE 38 0.380 10.066 0.706 293 HD13 ILE 38 2HD1 ILE 38 2.092 10.278 1.072 294 H TYR 39 H TYR 39 -1.411 10.854 5.472 295 HA TYR 39 HA TYR 39 -0.373 8.911 7.215 296 HB2 TYR 39 2HB TYR 39 -1.163 11.199 7.863 297 HB3 TYR 39 1HB TYR 39 -2.821 10.641 7.668 298 HD1 TYR 39 HD1 TYR 39 0.276 10.176 9.652 299 HD2 TYR 39 HD2 TYR 39 -3.907 9.410 9.401 300 HE1 TYR 39 HE1 TYR 39 0.286 9.397 11.982 301 HE2 TYR 39 HE2 TYR 39 -3.905 8.632 11.735 302 HH TYR 39 HH TYR 39 -2.271 7.687 13.358 303 H GLN 40 H GLN 40 -3.577 9.210 5.725 304 HA GLN 40 HA GLN 40 -4.879 7.044 6.899 305 HB2 GLN 40 2HB GLN 40 -5.999 8.743 5.513 306 HB3 GLN 40 1HB GLN 40 -5.175 8.132 4.085 307 HG2 GLN 40 2HG GLN 40 -6.340 5.994 4.336 308 HG3 GLN 40 1HG GLN 40 -7.173 6.621 5.757 309 HE21 GLN 40 1HE2 GLN 40 -9.203 6.414 4.874 310 HE22 GLN 40 2HE2 GLN 40 -9.769 7.403 3.577 311 H VAL 41 H VAL 41 -3.187 7.100 3.744 312 HA VAL 41 HA VAL 41 -3.398 4.378 3.147 313 HB VAL 41 HB VAL 41 -1.168 6.276 2.364 314 HG11 VAL 41 1HG1 VAL 41 -0.789 4.759 0.468 315 HG12 VAL 41 2HG1 VAL 41 -2.005 3.655 1.112 316 HG13 VAL 41 3HG1 VAL 41 -0.517 3.949 2.010 317 HG21 VAL 41 3HG2 VAL 41 -3.374 7.100 1.708 318 HG22 VAL 41 1HG2 VAL 41 -3.727 5.562 0.921 319 HG23 VAL 41 2HG2 VAL 41 -2.446 6.601 0.296 320 H ARG 42 H ARG 42 -0.889 6.115 4.966 321 HA ARG 42 HA ARG 42 0.947 4.063 5.376 322 HB2 ARG 42 2HB ARG 42 1.301 6.428 6.034 323 HB3 ARG 42 1HB ARG 42 0.150 6.224 7.347 324 HG2 ARG 42 2HG ARG 42 2.268 6.042 8.350 325 HG3 ARG 42 1HG ARG 42 1.680 4.384 8.216 326 HD2 ARG 42 2HD ARG 42 3.014 4.131 6.132 327 HD3 ARG 42 1HD ARG 42 3.667 5.749 6.387 328 HE ARG 42 HE ARG 42 4.563 3.364 7.598 329 HH11 ARG 42 1HH1 ARG 42 4.038 6.705 8.344 330 HH12 ARG 42 2HH1 ARG 42 5.193 6.688 9.630 331 HH21 ARG 42 1HH2 ARG 42 6.048 3.399 9.228 332 HH22 ARG 42 2HH2 ARG 42 6.324 4.860 10.112 333 H LEU 43 H LEU 43 -1.946 4.866 7.299 334 HA LEU 43 HA LEU 43 -1.575 2.953 9.331 335 HB2 LEU 43 2HB LEU 43 -4.145 4.148 8.281 336 HB3 LEU 43 1HB LEU 43 -4.001 3.241 9.776 337 HG LEU 43 HG LEU 43 -2.709 5.910 9.172 338 HD11 LEU 43 1HD1 LEU 43 -5.101 6.065 9.598 339 HD12 LEU 43 2HD1 LEU 43 -4.179 6.750 10.935 340 HD13 LEU 43 3HD1 LEU 43 -4.909 5.151 11.094 341 HD21 LEU 43 3HD2 LEU 43 -1.971 5.857 11.526 342 HD22 LEU 43 1HD2 LEU 43 -1.219 4.594 10.551 343 HD23 LEU 43 2HD2 LEU 43 -2.537 4.190 11.649 344 H TYR 44 H TYR 44 -3.432 2.728 6.288 345 HA TYR 44 HA TYR 44 -4.357 0.080 6.783 346 HB2 TYR 44 2HB TYR 44 -4.157 1.678 4.225 347 HB3 TYR 44 1HB TYR 44 -4.886 0.075 4.314 348 HD1 TYR 44 HD2 TYR 44 -6.704 -0.172 6.257 349 HD2 TYR 44 HD1 TYR 44 -5.593 3.508 4.420 350 HE1 TYR 44 HE2 TYR 44 -8.841 0.817 6.957 351 HE2 TYR 44 HE1 TYR 44 -7.728 4.503 5.123 352 HH TYR 44 HH TYR 44 -9.975 3.796 5.751 353 H LEU 45 H LEU 45 -1.528 1.328 5.036 354 HA LEU 45 HA LEU 45 -0.588 -1.196 4.153 355 HB2 LEU 45 2HB LEU 45 0.868 1.387 4.722 356 HB3 LEU 45 1HB LEU 45 1.636 -0.018 4.003 357 HG LEU 45 HG LEU 45 -0.686 1.499 2.794 358 HD11 LEU 45 1HD1 LEU 45 1.376 2.814 2.779 359 HD12 LEU 45 2HD1 LEU 45 0.925 2.304 1.153 360 HD13 LEU 45 3HD1 LEU 45 2.228 1.476 2.009 361 HD21 LEU 45 3HD2 LEU 45 -0.677 -0.878 2.208 362 HD22 LEU 45 1HD2 LEU 45 0.999 -0.741 1.670 363 HD23 LEU 45 2HD2 LEU 45 -0.276 0.129 0.817 364 H GLU 46 H GLU 46 -0.083 0.629 7.127 365 HA GLU 46 HA GLU 46 1.819 -0.969 8.386 366 HB2 GLU 46 2HB GLU 46 1.155 1.168 9.316 367 HB3 GLU 46 1HB GLU 46 -0.492 0.597 9.560 368 HG2 GLU 46 2HG GLU 46 0.397 -1.076 11.180 369 HG3 GLU 46 1HG GLU 46 1.985 -0.334 11.006 370 H GLN 47 H GLN 47 -1.746 -1.172 8.694 371 HA GLN 47 HA GLN 47 -1.755 -3.448 10.338 372 HB2 GLN 47 2HB GLN 47 -4.120 -3.648 9.851 373 HB3 GLN 47 1HB GLN 47 -3.702 -1.957 10.078 374 HG2 GLN 47 2HG GLN 47 -3.683 -1.653 7.639 375 HG3 GLN 47 1HG GLN 47 -4.147 -3.340 7.437 376 HE21 GLN 47 1HE2 GLN 47 -5.393 -1.264 9.974 377 HE22 GLN 47 2HE2 GLN 47 -7.005 -1.191 9.367 378 H LEU 48 H LEU 48 -1.842 -3.193 6.790 379 HA LEU 48 HA LEU 48 -2.224 -5.922 6.221 380 HB2 LEU 48 2HB LEU 48 -0.748 -3.777 4.696 381 HB3 LEU 48 1HB LEU 48 -1.020 -5.388 4.060 382 HG LEU 48 HG LEU 48 -3.190 -3.415 4.805 383 HD11 LEU 48 1HD1 LEU 48 -1.971 -2.728 2.812 384 HD12 LEU 48 2HD1 LEU 48 -3.595 -3.276 2.397 385 HD13 LEU 48 3HD1 LEU 48 -2.207 -4.325 2.100 386 HD21 LEU 48 3HD2 LEU 48 -4.715 -5.025 3.757 387 HD22 LEU 48 1HD2 LEU 48 -3.897 -5.723 5.155 388 HD23 LEU 48 2HD2 LEU 48 -3.374 -6.149 3.524 389 H HIS 49 H HIS 49 0.795 -4.088 6.696 390 HA HIS 49 HA HIS 49 2.527 -6.329 6.452 391 HB2 HIS 49 2HB HIS 49 3.422 -4.107 6.198 392 HB3 HIS 49 1HB HIS 49 2.871 -3.642 7.801 393 HD1 HIS 49 HD1 HIS 49 5.102 -6.484 6.550 394 HD2 HIS 49 HD2 HIS 49 5.020 -3.473 9.409 395 HE1 HIS 49 HE1 HIS 49 7.253 -6.709 7.820 396 HE2 HIS 49 HE2 HIS 49 7.251 -4.774 9.428 397 H ASP 50 H ASP 50 0.658 -5.018 9.096 398 HA ASP 50 HA ASP 50 2.067 -6.437 11.160 399 HB2 ASP 50 2HB ASP 50 0.969 -4.279 11.587 400 HB3 ASP 50 1HB ASP 50 -0.599 -5.006 11.248 401 H VAL 51 H VAL 51 -0.864 -7.039 9.270 402 HA VAL 51 HA VAL 51 -1.544 -9.382 10.831 403 HB VAL 51 HB VAL 51 -3.329 -9.781 9.203 404 HG11 VAL 51 1HG1 VAL 51 -3.740 -8.240 11.052 405 HG12 VAL 51 2HG1 VAL 51 -4.640 -7.755 9.615 406 HG13 VAL 51 3HG1 VAL 51 -3.171 -6.890 10.069 407 HG21 VAL 51 3HG2 VAL 51 -3.725 -8.257 7.337 408 HG22 VAL 51 1HG2 VAL 51 -2.159 -9.051 7.173 409 HG23 VAL 51 2HG2 VAL 51 -2.247 -7.378 7.725 410 H GLY 52 H GLY 52 0.326 -8.691 7.966 411 HA2 GLY 52 2HA GLY 52 2.117 -10.354 7.581 412 HA3 GLY 52 1HA GLY 52 0.889 -11.595 7.735 413 H VAL 53 H VAL 53 -0.304 -8.949 5.978 414 HA VAL 53 HA VAL 53 -0.296 -10.455 3.517 415 HB VAL 53 HB VAL 53 -1.273 -7.639 4.074 416 HG11 VAL 53 1HG1 VAL 53 -1.752 -9.411 1.671 417 HG12 VAL 53 2HG1 VAL 53 -0.793 -7.932 1.694 418 HG13 VAL 53 3HG1 VAL 53 -2.533 -7.858 1.969 419 HG21 VAL 53 3HG2 VAL 53 -3.503 -8.643 4.118 420 HG22 VAL 53 1HG2 VAL 53 -2.464 -9.355 5.354 421 HG23 VAL 53 2HG2 VAL 53 -2.798 -10.242 3.867 422 H LEU 54 H LEU 54 1.305 -7.507 4.681 423 HA LEU 54 HA LEU 54 2.908 -7.452 2.202 424 HB2 LEU 54 2HB LEU 54 2.315 -5.215 4.147 425 HB3 LEU 54 1HB LEU 54 3.388 -5.080 2.766 426 HG LEU 54 HG LEU 54 0.404 -5.556 2.686 427 HD11 LEU 54 1HD1 LEU 54 1.017 -3.265 3.230 428 HD12 LEU 54 2HD1 LEU 54 0.335 -3.359 1.606 429 HD13 LEU 54 3HD1 LEU 54 2.078 -3.197 1.825 430 HD21 LEU 54 3HD2 LEU 54 1.458 -6.798 0.886 431 HD22 LEU 54 1HD2 LEU 54 2.390 -5.377 0.416 432 HD23 LEU 54 2HD2 LEU 54 0.636 -5.382 0.235 433 H GLU 55 H GLU 55 5.040 -7.711 2.290 434 HA GLU 55 HA GLU 55 6.364 -8.150 4.851 435 HB2 GLU 55 2HB GLU 55 6.719 -9.797 3.084 436 HB3 GLU 55 1HB GLU 55 7.302 -8.547 1.996 437 HG2 GLU 55 2HG GLU 55 9.183 -9.755 2.813 438 HG3 GLU 55 1HG GLU 55 9.205 -8.156 3.552 439 H LYS 56 H LYS 56 8.395 -7.129 5.373 440 HA LYS 56 HA LYS 56 8.407 -4.301 4.772 441 HB2 LYS 56 2HB LYS 56 10.242 -4.190 6.407 442 HB3 LYS 56 1HB LYS 56 8.867 -5.083 7.048 443 HG2 LYS 56 2HG LYS 56 9.966 -7.170 6.748 444 HG3 LYS 56 1HG LYS 56 11.250 -6.431 5.792 445 HD2 LYS 56 2HD LYS 56 11.965 -5.164 7.801 446 HD3 LYS 56 1HD LYS 56 10.731 -6.009 8.741 447 HE2 LYS 56 2HE LYS 56 11.791 -8.135 8.301 448 HE3 LYS 56 1HE LYS 56 12.952 -7.374 7.215 449 HZ1 LYS 56 3HZ LYS 56 13.870 -7.847 9.410 450 HZ2 LYS 56 1HZ LYS 56 12.731 -6.819 10.123 451 HZ3 LYS 56 2HZ LYS 56 13.893 -6.191 9.064 452 H VAL 57 H VAL 57 9.728 -3.229 3.380 453 HA VAL 57 HA VAL 57 12.282 -4.491 2.596 454 HB VAL 57 HB VAL 57 10.562 -2.825 0.731 455 HG11 VAL 57 1HG1 VAL 57 12.947 -2.572 0.299 456 HG12 VAL 57 2HG1 VAL 57 12.184 -3.503 -0.991 457 HG13 VAL 57 3HG1 VAL 57 13.141 -4.327 0.241 458 HG21 VAL 57 3HG2 VAL 57 10.187 -4.891 -0.529 459 HG22 VAL 57 1HG2 VAL 57 9.552 -5.023 1.111 460 HG23 VAL 57 2HG2 VAL 57 11.078 -5.806 0.690 461 H ASN 58 H ASN 58 13.495 -3.286 4.056 462 HA ASN 58 HA ASN 58 13.988 -0.523 3.358 463 HB2 ASN 58 2HB ASN 58 13.483 0.396 5.584 464 HB3 ASN 58 1HB ASN 58 12.042 -0.269 4.826 465 HD21 ASN 58 1HD2 ASN 58 12.611 0.210 7.640 466 HD22 ASN 58 2HD2 ASN 58 12.442 -1.314 8.428 467 H ALA 59 H ALA 59 15.934 0.302 4.197 468 HA ALA 59 HA ALA 59 17.823 -1.698 5.118 469 HB1 ALA 59 3HB ALA 59 19.509 0.035 4.792 470 HB2 ALA 59 1HB ALA 59 18.241 1.227 4.497 471 HB3 ALA 59 2HB ALA 59 18.472 -0.113 3.373 472 H GLY 60 H GLY 60 15.592 -0.181 6.814 473 HA2 GLY 60 2HA GLY 60 15.379 -0.078 9.122 474 HA3 GLY 60 1HA GLY 60 17.104 -0.367 9.271 475 H LYS 61 H LYS 61 18.397 1.639 8.269 476 HA LYS 61 HA LYS 61 17.878 3.774 10.088 477 HB2 LYS 61 2HB LYS 61 19.862 3.644 7.806 478 HB3 LYS 61 1HB LYS 61 19.869 4.829 9.105 479 HG2 LYS 61 2HG LYS 61 20.272 3.026 10.730 480 HG3 LYS 61 1HG LYS 61 20.301 1.856 9.408 481 HD2 LYS 61 2HD LYS 61 22.214 3.069 8.408 482 HD3 LYS 61 1HD LYS 61 22.194 4.188 9.772 483 HE2 LYS 61 2HE LYS 61 23.918 2.511 10.088 484 HE3 LYS 61 1HE LYS 61 22.654 2.316 11.301 485 HZ1 LYS 61 3HZ LYS 61 23.372 0.200 10.360 486 HZ2 LYS 61 1HZ LYS 61 22.898 0.703 8.817 487 HZ3 LYS 61 2HZ LYS 61 21.742 0.493 10.032 488 H GLY 62 H GLY 62 16.625 5.525 9.810 489 HA2 GLY 62 2HA GLY 62 15.773 7.428 8.832 490 HA3 GLY 62 1HA GLY 62 16.715 7.071 7.402 491 H VAL 63 H VAL 63 15.762 5.079 6.143 492 HA VAL 63 HA VAL 63 13.424 5.930 4.954 493 HB VAL 63 HB VAL 63 13.306 3.697 3.867 494 HG11 VAL 63 1HG1 VAL 63 16.073 4.909 4.012 495 HG12 VAL 63 2HG1 VAL 63 14.763 5.428 2.954 496 HG13 VAL 63 3HG1 VAL 63 15.486 3.835 2.739 497 HG21 VAL 63 3HG2 VAL 63 15.604 3.015 5.718 498 HG22 VAL 63 1HG2 VAL 63 15.045 2.023 4.369 499 HG23 VAL 63 2HG2 VAL 63 13.992 2.301 5.755 500 HA PRO 64 HA PRO 64 10.186 4.687 7.786 501 HB2 PRO 64 2HB PRO 64 8.078 4.956 6.047 502 HB3 PRO 64 1HB PRO 64 8.855 6.315 6.868 503 HG2 PRO 64 2HG PRO 64 9.271 5.299 4.077 504 HG3 PRO 64 1HG PRO 64 9.137 6.974 4.651 505 HD2 PRO 64 2HD PRO 64 11.520 5.844 4.082 506 HD3 PRO 64 1HD PRO 64 11.331 7.028 5.391 507 H GLY 65 H GLY 65 10.213 3.321 4.483 508 HA2 GLY 65 2HA GLY 65 10.561 0.753 4.749 509 HA3 GLY 65 1HA GLY 65 8.985 0.850 5.512 510 H LEU 66 H LEU 66 10.288 -0.203 2.833 511 HA LEU 66 HA LEU 66 8.149 0.738 1.047 512 HB2 LEU 66 2HB LEU 66 10.593 -0.945 0.455 513 HB3 LEU 66 1HB LEU 66 9.411 -0.432 -0.735 514 HG LEU 66 HG LEU 66 11.151 1.451 0.872 515 HD11 LEU 66 1HD1 LEU 66 12.495 0.115 -0.680 516 HD12 LEU 66 2HD1 LEU 66 12.408 1.799 -1.188 517 HD13 LEU 66 3HD1 LEU 66 11.430 0.581 -2.008 518 HD21 LEU 66 3HD2 LEU 66 9.357 1.975 -1.501 519 HD22 LEU 66 1HD2 LEU 66 10.366 3.160 -0.670 520 HD23 LEU 66 2HD2 LEU 66 9.004 2.419 0.171 521 H TRP 67 H TRP 67 6.837 -0.863 -0.082 522 HA TRP 67 HA TRP 67 6.265 -3.085 1.769 523 HB2 TRP 67 2HB TRP 67 4.332 -1.757 -0.142 524 HB3 TRP 67 1HB TRP 67 3.948 -2.839 1.197 525 HD1 TRP 67 HD1 TRP 67 4.474 0.789 0.397 526 HE1 TRP 67 HE1 TRP 67 4.310 2.201 2.541 527 HE3 TRP 67 HE3 TRP 67 4.519 -2.973 3.864 528 HZ2 TRP 67 HZ2 TRP 67 4.206 1.786 5.325 529 HZ3 TRP 67 HZ3 TRP 67 4.388 -2.374 6.248 530 HH2 TRP 67 HH2 TRP 67 4.234 -0.045 6.963 531 H ARG 68 H ARG 68 6.423 -5.106 1.125 532 HA ARG 68 HA ARG 68 6.218 -5.771 -1.761 533 HB2 ARG 68 2HB ARG 68 8.497 -6.068 -0.617 534 HB3 ARG 68 1HB ARG 68 7.750 -7.348 0.325 535 HG2 ARG 68 2HG ARG 68 7.323 -8.633 -1.684 536 HG3 ARG 68 1HG ARG 68 7.945 -7.320 -2.687 537 HD2 ARG 68 2HD ARG 68 9.670 -8.970 -2.484 538 HD3 ARG 68 1HD ARG 68 10.149 -7.571 -1.529 539 HE ARG 68 HE ARG 68 8.816 -9.777 -0.149 540 HH11 ARG 68 1HH1 ARG 68 11.756 -8.099 -0.836 541 HH12 ARG 68 2HH1 ARG 68 12.601 -8.831 0.482 542 HH21 ARG 68 1HH2 ARG 68 9.936 -10.714 1.542 543 HH22 ARG 68 2HH2 ARG 68 11.590 -10.288 1.802 544 H LEU 69 H LEU 69 5.352 -8.105 -2.096 545 HA LEU 69 HA LEU 69 3.491 -8.788 0.099 546 HB2 LEU 69 2HB LEU 69 1.793 -9.438 -1.535 547 HB3 LEU 69 1HB LEU 69 2.214 -7.744 -1.658 548 HG LEU 69 HG LEU 69 3.785 -8.556 -3.597 549 HD11 LEU 69 1HD1 LEU 69 2.847 -10.455 -4.851 550 HD12 LEU 69 2HD1 LEU 69 1.766 -10.797 -3.499 551 HD13 LEU 69 3HD1 LEU 69 3.513 -10.938 -3.292 552 HD21 LEU 69 3HD2 LEU 69 1.985 -8.180 -5.199 553 HD22 LEU 69 1HD2 LEU 69 1.884 -7.040 -3.857 554 HD23 LEU 69 2HD2 LEU 69 0.787 -8.421 -3.928 555 H LEU 70 H LEU 70 2.907 -10.967 0.364 556 HA LEU 70 HA LEU 70 4.732 -12.902 -0.921 557 HB2 LEU 70 2HB LEU 70 4.727 -14.177 1.215 558 HB3 LEU 70 1HB LEU 70 5.520 -12.620 1.314 559 HG LEU 70 HG LEU 70 2.659 -12.924 2.216 560 HD11 LEU 70 1HD1 LEU 70 3.433 -13.378 4.478 561 HD12 LEU 70 2HD1 LEU 70 5.104 -13.436 3.918 562 HD13 LEU 70 3HD1 LEU 70 3.952 -14.661 3.385 563 HD21 LEU 70 3HD2 LEU 70 3.555 -10.657 1.981 564 HD22 LEU 70 1HD2 LEU 70 4.894 -11.069 3.051 565 HD23 LEU 70 2HD2 LEU 70 3.243 -11.046 3.671 566 H GLU 71 H GLU 71 1.898 -12.096 -1.474 567 HA GLU 71 HA GLU 71 0.766 -14.809 -1.507 568 HB2 GLU 71 2HB GLU 71 -0.254 -13.508 0.377 569 HB3 GLU 71 1HB GLU 71 -0.843 -12.339 -0.797 570 HG2 GLU 71 2HG GLU 71 -2.664 -13.751 -0.303 571 HG3 GLU 71 1HG GLU 71 -2.092 -14.234 -1.898 Start of MODEL 18 1 H1 MET 1 1H MET 1 -17.640 6.398 -9.207 2 H2 MET 1 2H MET 1 -18.841 5.750 -8.211 3 H3 MET 1 3H MET 1 -18.691 5.219 -9.807 4 HA MET 1 HA MET 1 -17.805 3.605 -8.232 5 HB2 MET 1 2HB MET 1 -15.695 4.923 -9.961 6 HB3 MET 1 1HB MET 1 -15.623 3.281 -9.333 7 HG2 MET 1 2HG MET 1 -17.597 4.374 -11.326 8 HG3 MET 1 1HG MET 1 -16.291 3.232 -11.641 9 HE1 MET 1 3HE MET 1 -19.343 2.773 -12.519 10 HE2 MET 1 1HE MET 1 -19.540 1.067 -12.112 11 HE3 MET 1 2HE MET 1 -18.047 1.629 -12.866 12 H SER 2 H SER 2 -17.581 3.930 -6.052 13 HA SER 2 HA SER 2 -15.018 4.930 -5.113 14 HB2 SER 2 2HB SER 2 -16.302 7.002 -5.126 15 HB3 SER 2 1HB SER 2 -17.607 6.237 -4.219 16 HG SER 2 HG SER 2 -16.567 6.815 -2.502 17 H GLU 3 H GLU 3 -14.608 2.880 -4.334 18 HA GLU 3 HA GLU 3 -15.484 2.195 -1.757 19 HB2 GLU 3 2HB GLU 3 -16.791 0.161 -2.229 20 HB3 GLU 3 1HB GLU 3 -17.591 1.600 -2.843 21 HG2 GLU 3 2HG GLU 3 -16.738 1.066 -5.105 22 HG3 GLU 3 1HG GLU 3 -16.038 -0.419 -4.462 23 H SER 4 H SER 4 -15.068 -0.470 -1.583 24 HA SER 4 HA SER 4 -13.413 -2.009 -1.336 25 HB2 SER 4 2HB SER 4 -12.439 -2.894 -3.346 26 HB3 SER 4 1HB SER 4 -14.073 -2.373 -3.741 27 HG SER 4 HG SER 4 -13.043 -0.377 -4.511 28 H ILE 5 H ILE 5 -12.652 0.519 -0.383 29 HA ILE 5 HA ILE 5 -10.292 1.615 -1.364 30 HB ILE 5 HB ILE 5 -11.326 1.545 1.476 31 HG12 ILE 5 2HG1 ILE 5 -11.767 4.004 0.950 32 HG13 ILE 5 1HG1 ILE 5 -11.397 3.627 -0.728 33 HG21 ILE 5 1HG2 ILE 5 -8.919 1.839 1.589 34 HG22 ILE 5 2HG2 ILE 5 -9.729 3.354 1.983 35 HG23 ILE 5 3HG2 ILE 5 -8.994 3.133 0.394 36 HD11 ILE 5 3HD1 ILE 5 -13.629 2.431 0.902 37 HD12 ILE 5 1HD1 ILE 5 -13.269 2.066 -0.785 38 HD13 ILE 5 2HD1 ILE 5 -13.788 3.685 -0.327 39 H VAL 6 H VAL 6 -10.612 -0.917 1.141 40 HA VAL 6 HA VAL 6 -7.858 -1.226 1.660 41 HB VAL 6 HB VAL 6 -9.990 -3.371 1.860 42 HG11 VAL 6 1HG1 VAL 6 -7.335 -3.086 3.283 43 HG12 VAL 6 2HG1 VAL 6 -7.720 -4.254 2.020 44 HG13 VAL 6 3HG1 VAL 6 -8.532 -4.348 3.581 45 HG21 VAL 6 3HG2 VAL 6 -10.220 -2.653 4.216 46 HG22 VAL 6 1HG2 VAL 6 -10.700 -1.392 3.078 47 HG23 VAL 6 2HG2 VAL 6 -9.136 -1.298 3.890 48 H THR 7 H THR 7 -9.988 -3.223 -0.407 49 HA THR 7 HA THR 7 -8.014 -4.880 -1.502 50 HB THR 7 HB THR 7 -10.589 -4.002 -2.845 51 HG1 THR 7 HG1 THR 7 -10.753 -6.418 -1.688 52 HG21 THR 7 3HG2 THR 7 -8.946 -6.521 -3.191 53 HG22 THR 7 1HG2 THR 7 -9.045 -5.195 -4.351 54 HG23 THR 7 2HG2 THR 7 -10.475 -6.163 -3.992 55 H LYS 8 H LYS 8 -9.068 -1.664 -2.415 56 HA LYS 8 HA LYS 8 -7.902 -1.392 -4.934 57 HB2 LYS 8 2HB LYS 8 -9.415 0.279 -3.978 58 HB3 LYS 8 1HB LYS 8 -8.252 0.651 -2.721 59 HG2 LYS 8 2HG LYS 8 -8.196 2.390 -4.359 60 HG3 LYS 8 1HG LYS 8 -6.690 1.474 -4.462 61 HD2 LYS 8 2HD LYS 8 -7.504 0.286 -6.413 62 HD3 LYS 8 1HD LYS 8 -9.077 1.078 -6.277 63 HE2 LYS 8 2HE LYS 8 -7.979 3.260 -6.640 64 HE3 LYS 8 1HE LYS 8 -6.435 2.431 -6.841 65 HZ1 LYS 8 3HZ LYS 8 -7.348 1.273 -8.753 66 HZ2 LYS 8 1HZ LYS 8 -7.440 2.948 -8.970 67 HZ3 LYS 8 2HZ LYS 8 -8.828 2.071 -8.564 68 H ILE 9 H ILE 9 -6.534 -0.443 -1.773 69 HA ILE 9 HA ILE 9 -3.975 0.242 -2.671 70 HB ILE 9 HB ILE 9 -4.817 -0.813 0.038 71 HG12 ILE 9 2HG1 ILE 9 -4.455 2.019 -1.000 72 HG13 ILE 9 1HG1 ILE 9 -5.996 1.237 -0.663 73 HG21 ILE 9 1HG2 ILE 9 -2.771 0.241 0.901 74 HG22 ILE 9 2HG2 ILE 9 -2.284 0.637 -0.747 75 HG23 ILE 9 3HG2 ILE 9 -2.408 -1.049 -0.245 76 HD11 ILE 9 3HD1 ILE 9 -5.405 2.762 1.109 77 HD12 ILE 9 1HD1 ILE 9 -3.871 1.925 1.356 78 HD13 ILE 9 2HD1 ILE 9 -5.395 1.104 1.709 79 H ILE 10 H ILE 10 -5.169 -2.894 -1.453 80 HA ILE 10 HA ILE 10 -2.758 -4.328 -1.654 81 HB ILE 10 HB ILE 10 -5.574 -5.378 -2.048 82 HG12 ILE 10 2HG1 ILE 10 -3.861 -5.233 0.455 83 HG13 ILE 10 1HG1 ILE 10 -5.260 -4.221 0.115 84 HG21 ILE 10 1HG2 ILE 10 -3.025 -6.854 -1.354 85 HG22 ILE 10 2HG2 ILE 10 -3.899 -6.948 -2.884 86 HG23 ILE 10 3HG2 ILE 10 -4.641 -7.563 -1.407 87 HD11 ILE 10 3HD1 ILE 10 -5.271 -7.204 0.537 88 HD12 ILE 10 1HD1 ILE 10 -6.684 -6.228 0.133 89 HD13 ILE 10 2HD1 ILE 10 -5.844 -5.973 1.662 90 H SER 11 H SER 11 -5.318 -3.774 -4.054 91 HA SER 11 HA SER 11 -4.209 -5.344 -6.135 92 HB2 SER 11 2HB SER 11 -6.567 -4.585 -6.109 93 HB3 SER 11 1HB SER 11 -6.030 -2.927 -6.358 94 HG SER 11 HG SER 11 -6.590 -4.668 -8.203 95 H ILE 12 H ILE 12 -3.707 -1.999 -5.156 96 HA ILE 12 HA ILE 12 -2.170 -1.141 -7.363 97 HB ILE 12 HB ILE 12 -2.071 -0.249 -4.470 98 HG12 ILE 12 2HG1 ILE 12 -3.408 1.057 -6.860 99 HG13 ILE 12 1HG1 ILE 12 -4.247 0.022 -5.713 100 HG21 ILE 12 1HG2 ILE 12 -0.983 1.804 -5.314 101 HG22 ILE 12 2HG2 ILE 12 -0.881 1.072 -6.917 102 HG23 ILE 12 3HG2 ILE 12 0.010 0.366 -5.567 103 HD11 ILE 12 3HD1 ILE 12 -4.623 2.372 -5.242 104 HD12 ILE 12 1HD1 ILE 12 -2.887 2.627 -5.057 105 HD13 ILE 12 2HD1 ILE 12 -3.754 1.593 -3.920 106 H VAL 13 H VAL 13 -1.156 -2.536 -4.230 107 HA VAL 13 HA VAL 13 1.604 -2.574 -4.689 108 HB VAL 13 HB VAL 13 -0.013 -4.573 -3.083 109 HG11 VAL 13 1HG1 VAL 13 2.928 -3.878 -2.964 110 HG12 VAL 13 2HG1 VAL 13 2.231 -5.402 -3.519 111 HG13 VAL 13 3HG1 VAL 13 2.081 -4.927 -1.826 112 HG21 VAL 13 3HG2 VAL 13 -0.447 -2.294 -2.351 113 HG22 VAL 13 1HG2 VAL 13 1.287 -1.973 -2.245 114 HG23 VAL 13 2HG2 VAL 13 0.535 -3.139 -1.151 115 H GLN 14 H GLN 14 -0.819 -5.116 -5.362 116 HA GLN 14 HA GLN 14 0.909 -7.017 -6.498 117 HB2 GLN 14 2HB GLN 14 -1.465 -7.428 -5.849 118 HB3 GLN 14 1HB GLN 14 -1.982 -6.480 -7.234 119 HG2 GLN 14 2HG GLN 14 -2.167 -8.815 -7.758 120 HG3 GLN 14 1HG GLN 14 -0.879 -8.111 -8.732 121 HE21 GLN 14 1HE2 GLN 14 -1.647 -10.264 -6.115 122 HE22 GLN 14 2HE2 GLN 14 -0.090 -11.008 -6.008 123 H GLU 15 H GLU 15 -0.938 -4.398 -8.036 124 HA GLU 15 HA GLU 15 -0.287 -4.784 -10.699 125 HB2 GLU 15 2HB GLU 15 -1.923 -3.137 -9.867 126 HB3 GLU 15 1HB GLU 15 -0.616 -2.169 -9.204 127 HG2 GLU 15 2HG GLU 15 -1.406 -1.190 -11.254 128 HG3 GLU 15 1HG GLU 15 0.239 -1.784 -11.474 129 H ARG 16 H ARG 16 1.531 -2.950 -8.251 130 HA ARG 16 HA ARG 16 3.599 -2.092 -10.004 131 HB2 ARG 16 2HB ARG 16 3.694 -2.358 -6.988 132 HB3 ARG 16 1HB ARG 16 4.759 -1.372 -7.985 133 HG2 ARG 16 2HG ARG 16 1.775 -0.970 -7.777 134 HG3 ARG 16 1HG ARG 16 2.966 -0.091 -6.821 135 HD2 ARG 16 2HD ARG 16 3.367 -0.075 -9.761 136 HD3 ARG 16 1HD ARG 16 1.969 0.816 -9.158 137 HE ARG 16 HE ARG 16 3.569 2.042 -7.717 138 HH11 ARG 16 1HH1 ARG 16 4.734 0.521 -10.589 139 HH12 ARG 16 2HH1 ARG 16 6.067 1.612 -10.738 140 HH21 ARG 16 1HH2 ARG 16 5.244 3.443 -7.956 141 HH22 ARG 16 2HH2 ARG 16 6.348 3.250 -9.278 142 H GLN 17 H GLN 17 3.278 -4.886 -7.845 143 HA GLN 17 HA GLN 17 5.875 -5.948 -8.130 144 HB2 GLN 17 2HB GLN 17 3.203 -7.199 -7.510 145 HB3 GLN 17 1HB GLN 17 4.659 -8.174 -7.622 146 HG2 GLN 17 2HG GLN 17 4.481 -5.810 -5.778 147 HG3 GLN 17 1HG GLN 17 3.902 -7.407 -5.309 148 HE21 GLN 17 1HE2 GLN 17 5.413 -7.748 -3.721 149 HE22 GLN 17 2HE2 GLN 17 7.091 -7.961 -4.038 150 H ASN 18 H ASN 18 3.065 -6.140 -10.224 151 HA ASN 18 HA ASN 18 4.254 -8.257 -11.846 152 HB2 ASN 18 2HB ASN 18 1.549 -6.915 -11.895 153 HB3 ASN 18 1HB ASN 18 2.049 -8.114 -13.087 154 HD21 ASN 18 1HD2 ASN 18 -0.069 -8.180 -10.996 155 HD22 ASN 18 2HD2 ASN 18 0.265 -9.599 -10.071 156 H MET 19 H MET 19 3.665 -4.797 -12.074 157 HA MET 19 HA MET 19 4.056 -4.601 -14.892 158 HB2 MET 19 2HB MET 19 4.248 -2.204 -14.539 159 HB3 MET 19 1HB MET 19 2.918 -2.844 -13.588 160 HG2 MET 19 2HG MET 19 4.358 -2.818 -11.595 161 HG3 MET 19 1HG MET 19 5.659 -2.128 -12.560 162 HE1 MET 19 3HE MET 19 5.592 0.296 -13.634 163 HE2 MET 19 1HE MET 19 4.207 1.381 -13.514 164 HE3 MET 19 2HE MET 19 4.087 -0.102 -14.462 165 H ASP 20 H ASP 20 6.240 -4.822 -12.205 166 HA ASP 20 HA ASP 20 8.539 -4.410 -14.015 167 HB2 ASP 20 2HB ASP 20 8.042 -2.537 -12.297 168 HB3 ASP 20 1HB ASP 20 8.589 -3.684 -11.079 169 H ASP 21 H ASP 21 10.624 -5.327 -12.727 170 HA ASP 21 HA ASP 21 9.900 -8.062 -11.903 171 HB2 ASP 21 2HB ASP 21 12.503 -6.954 -12.975 172 HB3 ASP 21 1HB ASP 21 12.255 -8.627 -12.478 173 H GLY 22 H GLY 22 11.057 -5.134 -10.628 174 HA2 GLY 22 2HA GLY 22 11.314 -6.278 -8.006 175 HA3 GLY 22 1HA GLY 22 12.872 -5.820 -8.675 176 H ALA 23 H ALA 23 9.718 -4.194 -8.965 177 HA ALA 23 HA ALA 23 10.963 -1.734 -7.957 178 HB1 ALA 23 3HB ALA 23 9.801 -1.611 -10.113 179 HB2 ALA 23 1HB ALA 23 9.052 -0.567 -8.904 180 HB3 ALA 23 2HB ALA 23 8.299 -2.105 -9.329 181 HA PRO 24 HA PRO 24 8.713 -2.639 -4.093 182 HB2 PRO 24 2HB PRO 24 9.986 -0.717 -2.627 183 HB3 PRO 24 1HB PRO 24 10.676 -2.316 -2.925 184 HG2 PRO 24 2HG PRO 24 11.235 0.280 -4.318 185 HG3 PRO 24 1HG PRO 24 12.375 -0.971 -3.789 186 HD2 PRO 24 2HD PRO 24 11.564 -0.748 -6.364 187 HD3 PRO 24 1HD PRO 24 11.946 -2.316 -5.624 188 H VAL 25 H VAL 25 6.883 -1.667 -3.295 189 HA VAL 25 HA VAL 25 5.867 0.564 -4.823 190 HB VAL 25 HB VAL 25 4.480 -0.785 -2.501 191 HG11 VAL 25 1HG1 VAL 25 2.443 -0.153 -3.706 192 HG12 VAL 25 2HG1 VAL 25 3.417 0.597 -4.971 193 HG13 VAL 25 3HG1 VAL 25 3.436 1.258 -3.337 194 HG21 VAL 25 3HG2 VAL 25 5.235 -2.550 -3.989 195 HG22 VAL 25 1HG2 VAL 25 4.570 -1.696 -5.382 196 HG23 VAL 25 2HG2 VAL 25 3.491 -2.340 -4.144 197 H LYS 26 H LYS 26 6.019 2.644 -4.243 198 HA LYS 26 HA LYS 26 7.168 3.377 -1.690 199 HB2 LYS 26 2HB LYS 26 6.235 5.144 -3.970 200 HB3 LYS 26 1HB LYS 26 7.166 5.680 -2.583 201 HG2 LYS 26 2HG LYS 26 8.700 5.502 -4.357 202 HG3 LYS 26 1HG LYS 26 8.985 4.081 -3.350 203 HD2 LYS 26 2HD LYS 26 7.675 2.711 -4.900 204 HD3 LYS 26 1HD LYS 26 7.336 4.132 -5.887 205 HE2 LYS 26 2HE LYS 26 10.097 3.030 -5.346 206 HE3 LYS 26 1HE LYS 26 9.150 2.699 -6.796 207 HZ1 LYS 26 3HZ LYS 26 10.057 5.388 -5.910 208 HZ2 LYS 26 1HZ LYS 26 9.165 5.058 -7.307 209 HZ3 LYS 26 2HZ LYS 26 10.748 4.483 -7.158 210 H THR 27 H THR 27 6.099 4.181 0.067 211 HA THR 27 HA THR 27 3.355 4.037 0.428 212 HB THR 27 HB THR 27 5.332 5.844 1.851 213 HG1 THR 27 HG1 THR 27 5.782 3.672 2.211 214 HG21 THR 27 3HG2 THR 27 3.079 6.723 2.171 215 HG22 THR 27 1HG2 THR 27 3.655 5.973 3.659 216 HG23 THR 27 2HG2 THR 27 2.498 5.121 2.634 217 H ARG 28 H ARG 28 5.256 6.907 -0.509 218 HA ARG 28 HA ARG 28 3.120 8.743 -0.672 219 HB2 ARG 28 2HB ARG 28 5.666 8.684 -2.323 220 HB3 ARG 28 1HB ARG 28 4.608 10.072 -2.120 221 HG2 ARG 28 2HG ARG 28 6.111 8.725 0.121 222 HG3 ARG 28 1HG ARG 28 6.657 10.167 -0.734 223 HD2 ARG 28 2HD ARG 28 4.752 11.419 0.057 224 HD3 ARG 28 1HD ARG 28 4.047 9.969 0.776 225 HE ARG 28 HE ARG 28 6.558 10.308 1.910 226 HH11 ARG 28 1HH1 ARG 28 3.642 12.141 1.767 227 HH12 ARG 28 2HH1 ARG 28 3.813 12.742 3.381 228 HH21 ARG 28 1HH2 ARG 28 6.792 11.136 3.955 229 HH22 ARG 28 2HH2 ARG 28 5.565 12.172 4.606 230 H ASP 29 H ASP 29 4.550 6.629 -3.132 231 HA ASP 29 HA ASP 29 2.986 7.353 -5.329 232 HB2 ASP 29 2HB ASP 29 5.028 6.017 -5.488 233 HB3 ASP 29 1HB ASP 29 4.253 4.687 -4.637 234 H ILE 30 H ILE 30 2.385 4.913 -2.812 235 HA ILE 30 HA ILE 30 -0.016 3.856 -3.835 236 HB ILE 30 HB ILE 30 0.783 4.156 -0.926 237 HG12 ILE 30 2HG1 ILE 30 1.194 1.837 -2.836 238 HG13 ILE 30 1HG1 ILE 30 2.453 2.933 -2.281 239 HG21 ILE 30 1HG2 ILE 30 -1.602 3.690 -1.189 240 HG22 ILE 30 2HG2 ILE 30 -0.762 2.295 -0.515 241 HG23 ILE 30 3HG2 ILE 30 -1.232 2.306 -2.216 242 HD11 ILE 30 3HD1 ILE 30 2.102 2.149 0.015 243 HD12 ILE 30 1HD1 ILE 30 2.545 0.840 -1.083 244 HD13 ILE 30 2HD1 ILE 30 0.869 1.029 -0.570 245 H ALA 31 H ALA 31 0.605 6.661 -1.765 246 HA ALA 31 HA ALA 31 -2.017 7.308 -1.054 247 HB1 ALA 31 3HB ALA 31 0.254 9.234 -1.540 248 HB2 ALA 31 1HB ALA 31 -0.019 8.336 -0.047 249 HB3 ALA 31 2HB ALA 31 -1.194 9.538 -0.580 250 H ASP 32 H ASP 32 -0.116 8.510 -3.832 251 HA ASP 32 HA ASP 32 -2.191 10.020 -5.005 252 HB2 ASP 32 2HB ASP 32 0.289 8.745 -6.163 253 HB3 ASP 32 1HB ASP 32 -0.790 9.758 -7.116 254 H ALA 33 H ALA 33 -1.199 6.646 -5.522 255 HA ALA 33 HA ALA 33 -2.930 6.111 -7.691 256 HB1 ALA 33 3HB ALA 33 -0.984 4.734 -7.156 257 HB2 ALA 33 1HB ALA 33 -2.452 3.761 -7.255 258 HB3 ALA 33 2HB ALA 33 -1.775 4.179 -5.679 259 H ALA 34 H ALA 34 -3.361 5.674 -4.195 260 HA ALA 34 HA ALA 34 -6.001 4.506 -4.529 261 HB1 ALA 34 3HB ALA 34 -6.018 4.321 -2.101 262 HB2 ALA 34 1HB ALA 34 -4.543 5.283 -2.001 263 HB3 ALA 34 2HB ALA 34 -4.510 3.692 -2.763 264 H GLY 35 H GLY 35 -4.672 7.664 -3.958 265 HA2 GLY 35 2HA GLY 35 -5.734 9.723 -3.961 266 HA3 GLY 35 1HA GLY 35 -7.268 8.892 -4.156 267 H LEU 36 H LEU 36 -4.889 8.532 -1.551 268 HA LEU 36 HA LEU 36 -6.849 9.659 0.351 269 HB2 LEU 36 2HB LEU 36 -5.164 7.181 0.759 270 HB3 LEU 36 1HB LEU 36 -6.168 7.927 1.987 271 HG LEU 36 HG LEU 36 -7.208 6.708 -0.583 272 HD11 LEU 36 1HD1 LEU 36 -8.035 4.897 0.824 273 HD12 LEU 36 2HD1 LEU 36 -7.272 5.624 2.236 274 HD13 LEU 36 3HD1 LEU 36 -6.279 5.012 0.913 275 HD21 LEU 36 3HD2 LEU 36 -9.413 6.928 0.497 276 HD22 LEU 36 1HD2 LEU 36 -8.645 8.493 0.230 277 HD23 LEU 36 2HD2 LEU 36 -8.657 7.782 1.844 278 H SER 37 H SER 37 -5.907 10.421 2.390 279 HA SER 37 HA SER 37 -3.492 11.884 2.064 280 HB2 SER 37 2HB SER 37 -5.054 11.250 4.589 281 HB3 SER 37 1HB SER 37 -3.751 12.431 4.480 282 HG SER 37 HG SER 37 -6.158 13.033 4.185 283 H ILE 38 H ILE 38 -1.497 11.652 3.220 284 HA ILE 38 HA ILE 38 -0.311 9.162 2.962 285 HB ILE 38 HB ILE 38 0.587 11.417 4.770 286 HG12 ILE 38 2HG1 ILE 38 0.253 12.143 2.449 287 HG13 ILE 38 1HG1 ILE 38 1.965 12.119 2.850 288 HG21 ILE 38 1HG2 ILE 38 1.760 9.363 5.319 289 HG22 ILE 38 2HG2 ILE 38 2.850 10.466 4.479 290 HG23 ILE 38 3HG2 ILE 38 2.147 9.096 3.619 291 HD11 ILE 38 3HD1 ILE 38 0.497 10.004 1.283 292 HD12 ILE 38 1HD1 ILE 38 2.219 9.999 1.669 293 HD13 ILE 38 2HD1 ILE 38 1.553 11.247 0.615 294 H TYR 39 H TYR 39 -1.412 10.702 5.996 295 HA TYR 39 HA TYR 39 -0.689 8.632 7.739 296 HB2 TYR 39 2HB TYR 39 -1.338 10.867 8.520 297 HB3 TYR 39 1HB TYR 39 -2.994 10.587 7.996 298 HD1 TYR 39 HD2 TYR 39 -0.391 9.138 10.263 299 HD2 TYR 39 HD1 TYR 39 -4.538 9.779 9.538 300 HE1 TYR 39 HE2 TYR 39 -0.921 8.175 12.464 301 HE2 TYR 39 HE1 TYR 39 -5.076 8.822 11.733 302 HH TYR 39 HH TYR 39 -4.053 7.252 13.351 303 H GLN 40 H GLN 40 -3.836 9.207 6.139 304 HA GLN 40 HA GLN 40 -5.242 6.985 7.056 305 HB2 GLN 40 2HB GLN 40 -6.274 8.804 5.764 306 HB3 GLN 40 1HB GLN 40 -5.377 8.315 4.333 307 HG2 GLN 40 2HG GLN 40 -7.557 7.482 4.037 308 HG3 GLN 40 1HG GLN 40 -6.578 6.091 4.490 309 HE21 GLN 40 1HE2 GLN 40 -9.116 8.231 5.441 310 HE22 GLN 40 2HE2 GLN 40 -9.638 7.338 6.825 311 H VAL 41 H VAL 41 -3.256 7.271 4.101 312 HA VAL 41 HA VAL 41 -3.515 4.664 3.151 313 HB VAL 41 HB VAL 41 -1.116 6.501 2.921 314 HG11 VAL 41 1HG1 VAL 41 -0.515 5.193 0.940 315 HG12 VAL 41 2HG1 VAL 41 -1.856 4.093 1.255 316 HG13 VAL 41 3HG1 VAL 41 -0.513 4.192 2.392 317 HG21 VAL 41 3HG2 VAL 41 -3.185 7.497 2.073 318 HG22 VAL 41 1HG2 VAL 41 -3.456 6.081 1.053 319 HG23 VAL 41 2HG2 VAL 41 -2.067 7.131 0.759 320 H ARG 42 H ARG 42 -0.979 5.992 5.315 321 HA ARG 42 HA ARG 42 0.406 3.570 5.643 322 HB2 ARG 42 2HB ARG 42 0.260 5.986 7.447 323 HB3 ARG 42 1HB ARG 42 1.276 4.592 7.795 324 HG2 ARG 42 2HG ARG 42 2.147 5.050 5.332 325 HG3 ARG 42 1HG ARG 42 1.567 6.678 5.688 326 HD2 ARG 42 2HD ARG 42 3.904 6.523 6.265 327 HD3 ARG 42 1HD ARG 42 2.959 6.673 7.748 328 HE ARG 42 HE ARG 42 3.289 3.963 7.326 329 HH11 ARG 42 1HH1 ARG 42 5.330 6.678 7.888 330 HH12 ARG 42 2HH1 ARG 42 6.592 5.727 8.587 331 HH21 ARG 42 1HH2 ARG 42 4.885 2.754 8.234 332 HH22 ARG 42 2HH2 ARG 42 6.331 3.522 8.798 333 H LEU 43 H LEU 43 -2.427 4.828 7.385 334 HA LEU 43 HA LEU 43 -2.476 2.973 9.477 335 HB2 LEU 43 2HB LEU 43 -4.789 4.183 7.950 336 HB3 LEU 43 1HB LEU 43 -4.972 3.253 9.427 337 HG LEU 43 HG LEU 43 -3.518 5.891 9.154 338 HD11 LEU 43 1HD1 LEU 43 -5.937 6.122 9.053 339 HD12 LEU 43 2HD1 LEU 43 -5.311 6.755 10.575 340 HD13 LEU 43 3HD1 LEU 43 -6.105 5.181 10.538 341 HD21 LEU 43 3HD2 LEU 43 -3.237 5.805 11.573 342 HD22 LEU 43 1HD2 LEU 43 -2.435 4.432 10.804 343 HD23 LEU 43 2HD2 LEU 43 -3.985 4.206 11.619 344 H TYR 44 H TYR 44 -3.860 2.693 6.207 345 HA TYR 44 HA TYR 44 -4.705 -0.003 6.471 346 HB2 TYR 44 2HB TYR 44 -4.012 1.638 4.027 347 HB3 TYR 44 1HB TYR 44 -4.659 0.003 3.939 348 HD1 TYR 44 HD2 TYR 44 -6.950 -0.450 4.921 349 HD2 TYR 44 HD1 TYR 44 -5.464 3.497 4.331 350 HE1 TYR 44 HE2 TYR 44 -9.242 0.427 5.052 351 HE2 TYR 44 HE1 TYR 44 -7.754 4.385 4.462 352 HH TYR 44 HH TYR 44 -10.086 3.573 4.114 353 H LEU 45 H LEU 45 -1.654 1.406 5.302 354 HA LEU 45 HA LEU 45 -0.515 -0.992 4.321 355 HB2 LEU 45 2HB LEU 45 0.855 1.511 5.323 356 HB3 LEU 45 1HB LEU 45 1.637 0.231 4.412 357 HG LEU 45 HG LEU 45 -0.575 2.029 3.394 358 HD11 LEU 45 1HD1 LEU 45 1.146 2.932 1.913 359 HD12 LEU 45 2HD1 LEU 45 2.355 1.902 2.677 360 HD13 LEU 45 3HD1 LEU 45 1.566 3.176 3.608 361 HD21 LEU 45 3HD2 LEU 45 -0.761 -0.190 2.417 362 HD22 LEU 45 1HD2 LEU 45 0.954 -0.176 2.001 363 HD23 LEU 45 2HD2 LEU 45 -0.155 0.952 1.218 364 H GLU 46 H GLU 46 -0.009 0.694 7.414 365 HA GLU 46 HA GLU 46 1.794 -1.073 8.578 366 HB2 GLU 46 2HB GLU 46 -0.351 0.563 9.954 367 HB3 GLU 46 1HB GLU 46 1.048 -0.148 10.743 368 HG2 GLU 46 2HG GLU 46 1.070 2.039 8.668 369 HG3 GLU 46 1HG GLU 46 1.374 2.223 10.391 370 H GLN 47 H GLN 47 -1.789 -1.077 8.745 371 HA GLN 47 HA GLN 47 -2.015 -3.395 10.347 372 HB2 GLN 47 2HB GLN 47 -3.967 -2.280 8.314 373 HB3 GLN 47 1HB GLN 47 -4.344 -3.541 9.481 374 HG2 GLN 47 2HG GLN 47 -3.792 -1.937 11.304 375 HG3 GLN 47 1HG GLN 47 -3.604 -0.682 10.079 376 HE21 GLN 47 1HE2 GLN 47 -5.475 -0.801 12.282 377 HE22 GLN 47 2HE2 GLN 47 -7.053 -0.729 11.588 378 H LEU 48 H LEU 48 -2.187 -3.048 6.780 379 HA LEU 48 HA LEU 48 -2.398 -5.768 6.152 380 HB2 LEU 48 2HB LEU 48 -1.087 -3.529 4.602 381 HB3 LEU 48 1HB LEU 48 -1.381 -5.127 3.943 382 HG LEU 48 HG LEU 48 -3.526 -3.213 4.891 383 HD11 LEU 48 1HD1 LEU 48 -2.711 -4.002 2.091 384 HD12 LEU 48 2HD1 LEU 48 -2.438 -2.432 2.848 385 HD13 LEU 48 3HD1 LEU 48 -4.082 -2.978 2.522 386 HD21 LEU 48 3HD2 LEU 48 -5.093 -4.797 3.890 387 HD22 LEU 48 1HD2 LEU 48 -4.161 -5.559 5.181 388 HD23 LEU 48 2HD2 LEU 48 -3.757 -5.883 3.494 389 H HIS 49 H HIS 49 0.386 -3.869 7.069 390 HA HIS 49 HA HIS 49 2.408 -5.754 6.430 391 HB2 HIS 49 2HB HIS 49 3.046 -3.489 6.870 392 HB3 HIS 49 1HB HIS 49 2.254 -3.498 8.440 393 HD1 HIS 49 HD1 HIS 49 3.606 -4.268 10.421 394 HD2 HIS 49 HD2 HIS 49 5.526 -4.942 6.795 395 HE1 HIS 49 HE1 HIS 49 5.935 -4.982 11.014 396 HE2 HIS 49 HE2 HIS 49 7.031 -5.514 8.814 397 H ASP 50 H ASP 50 0.813 -5.028 9.545 398 HA ASP 50 HA ASP 50 2.126 -7.124 10.943 399 HB2 ASP 50 2HB ASP 50 -0.215 -5.354 11.615 400 HB3 ASP 50 1HB ASP 50 0.383 -6.582 12.729 401 H VAL 51 H VAL 51 -0.852 -7.109 9.091 402 HA VAL 51 HA VAL 51 -1.739 -9.627 10.231 403 HB VAL 51 HB VAL 51 -3.569 -9.579 8.633 404 HG11 VAL 51 1HG1 VAL 51 -3.796 -8.278 10.688 405 HG12 VAL 51 2HG1 VAL 51 -4.657 -7.505 9.356 406 HG13 VAL 51 3HG1 VAL 51 -3.099 -6.868 9.887 407 HG21 VAL 51 3HG2 VAL 51 -2.212 -7.145 7.467 408 HG22 VAL 51 1HG2 VAL 51 -3.815 -7.733 7.024 409 HG23 VAL 51 2HG2 VAL 51 -2.390 -8.716 6.687 410 H GLY 52 H GLY 52 0.613 -8.826 7.989 411 HA2 GLY 52 2HA GLY 52 2.090 -10.476 7.154 412 HA3 GLY 52 1HA GLY 52 0.794 -11.655 7.236 413 H VAL 53 H VAL 53 -0.031 -8.679 5.701 414 HA VAL 53 HA VAL 53 -0.090 -10.013 3.102 415 HB VAL 53 HB VAL 53 -1.160 -7.305 3.943 416 HG11 VAL 53 1HG1 VAL 53 -1.454 -8.765 1.306 417 HG12 VAL 53 2HG1 VAL 53 -0.581 -7.256 1.579 418 HG13 VAL 53 3HG1 VAL 53 -2.333 -7.306 1.766 419 HG21 VAL 53 3HG2 VAL 53 -3.359 -8.343 3.781 420 HG22 VAL 53 1HG2 VAL 53 -2.350 -9.219 4.934 421 HG23 VAL 53 2HG2 VAL 53 -2.621 -9.880 3.321 422 H LEU 54 H LEU 54 1.250 -6.999 4.484 423 HA LEU 54 HA LEU 54 2.993 -6.753 2.118 424 HB2 LEU 54 2HB LEU 54 2.212 -4.674 4.168 425 HB3 LEU 54 1HB LEU 54 3.282 -4.393 2.808 426 HG LEU 54 HG LEU 54 0.342 -5.088 2.648 427 HD11 LEU 54 1HD1 LEU 54 1.833 -2.532 2.033 428 HD12 LEU 54 2HD1 LEU 54 0.711 -2.803 3.369 429 HD13 LEU 54 3HD1 LEU 54 0.122 -2.822 1.709 430 HD21 LEU 54 3HD2 LEU 54 0.580 -4.733 0.233 431 HD22 LEU 54 1HD2 LEU 54 1.562 -6.089 0.790 432 HD23 LEU 54 2HD2 LEU 54 2.322 -4.538 0.434 433 H GLU 55 H GLU 55 5.113 -6.992 2.289 434 HA GLU 55 HA GLU 55 6.347 -7.286 4.937 435 HB2 GLU 55 2HB GLU 55 6.612 -9.169 3.380 436 HB3 GLU 55 1HB GLU 55 7.352 -8.102 2.194 437 HG2 GLU 55 2HG GLU 55 9.252 -7.744 3.628 438 HG3 GLU 55 1HG GLU 55 8.491 -8.658 4.928 439 H LYS 56 H LYS 56 8.166 -6.130 5.533 440 HA LYS 56 HA LYS 56 8.268 -3.441 4.666 441 HB2 LYS 56 2HB LYS 56 9.867 -3.090 6.370 442 HB3 LYS 56 1HB LYS 56 8.814 -4.354 6.983 443 HG2 LYS 56 2HG LYS 56 11.545 -4.784 5.758 444 HG3 LYS 56 1HG LYS 56 11.176 -4.792 7.482 445 HD2 LYS 56 2HD LYS 56 9.827 -6.768 7.250 446 HD3 LYS 56 1HD LYS 56 9.932 -6.696 5.490 447 HE2 LYS 56 2HE LYS 56 11.424 -8.403 6.348 448 HE3 LYS 56 1HE LYS 56 12.355 -7.091 5.631 449 HZ1 LYS 56 3HZ LYS 56 12.745 -6.220 7.862 450 HZ2 LYS 56 1HZ LYS 56 13.328 -7.798 7.710 451 HZ3 LYS 56 2HZ LYS 56 11.882 -7.506 8.532 452 H VAL 57 H VAL 57 9.658 -2.312 3.366 453 HA VAL 57 HA VAL 57 12.120 -3.647 2.430 454 HB VAL 57 HB VAL 57 10.347 -1.936 0.666 455 HG11 VAL 57 1HG1 VAL 57 11.888 -2.566 -1.138 456 HG12 VAL 57 2HG1 VAL 57 12.890 -3.444 0.019 457 HG13 VAL 57 3HG1 VAL 57 12.725 -1.690 0.144 458 HG21 VAL 57 3HG2 VAL 57 9.944 -3.997 -0.616 459 HG22 VAL 57 1HG2 VAL 57 9.327 -4.110 1.034 460 HG23 VAL 57 2HG2 VAL 57 10.836 -4.916 0.598 461 H ASN 58 H ASN 58 13.581 -2.507 3.613 462 HA ASN 58 HA ASN 58 14.854 -0.786 4.401 463 HB2 ASN 58 2HB ASN 58 15.408 -0.761 1.985 464 HB3 ASN 58 1HB ASN 58 14.141 0.430 1.715 465 HD21 ASN 58 1HD2 ASN 58 14.433 2.529 2.512 466 HD22 ASN 58 2HD2 ASN 58 16.006 3.131 2.901 467 H ALA 59 H ALA 59 13.571 -0.054 6.162 468 HA ALA 59 HA ALA 59 12.396 2.570 5.841 469 HB1 ALA 59 3HB ALA 59 10.564 1.135 5.115 470 HB2 ALA 59 1HB ALA 59 10.173 1.977 6.616 471 HB3 ALA 59 2HB ALA 59 10.626 0.271 6.654 472 H GLY 60 H GLY 60 11.225 3.206 7.987 473 HA2 GLY 60 2HA GLY 60 11.457 2.469 10.483 474 HA3 GLY 60 1HA GLY 60 13.166 2.697 10.133 475 H LYS 61 H LYS 61 14.004 4.686 10.427 476 HA LYS 61 HA LYS 61 12.193 7.017 10.315 477 HB2 LYS 61 2HB LYS 61 14.422 6.544 12.308 478 HB3 LYS 61 1HB LYS 61 13.593 8.083 12.096 479 HG2 LYS 61 2HG LYS 61 11.457 6.949 12.689 480 HG3 LYS 61 1HG LYS 61 12.374 5.483 13.032 481 HD2 LYS 61 2HD LYS 61 12.771 8.149 14.399 482 HD3 LYS 61 1HD LYS 61 11.870 6.790 15.068 483 HE2 LYS 61 2HE LYS 61 14.800 6.749 14.339 484 HE3 LYS 61 1HE LYS 61 14.158 6.943 15.969 485 HZ1 LYS 61 3HZ LYS 61 14.797 4.670 15.588 486 HZ2 LYS 61 1HZ LYS 61 13.809 4.569 14.218 487 HZ3 LYS 61 2HZ LYS 61 13.117 4.753 15.753 488 H GLY 62 H GLY 62 12.924 8.787 9.211 489 HA2 GLY 62 2HA GLY 62 14.323 10.088 7.892 490 HA3 GLY 62 1HA GLY 62 15.678 9.085 8.391 491 H VAL 63 H VAL 63 13.107 7.232 7.269 492 HA VAL 63 HA VAL 63 14.120 7.092 4.518 493 HB VAL 63 HB VAL 63 13.909 4.499 4.785 494 HG11 VAL 63 1HG1 VAL 63 16.263 5.970 5.974 495 HG12 VAL 63 2HG1 VAL 63 16.001 5.651 4.258 496 HG13 VAL 63 3HG1 VAL 63 16.269 4.311 5.373 497 HG21 VAL 63 3HG2 VAL 63 14.456 5.312 7.643 498 HG22 VAL 63 1HG2 VAL 63 14.523 3.669 7.005 499 HG23 VAL 63 2HG2 VAL 63 12.987 4.534 7.051 500 HA PRO 64 HA PRO 64 9.646 6.901 3.826 501 HB2 PRO 64 2HB PRO 64 10.532 6.417 1.033 502 HB3 PRO 64 1HB PRO 64 9.459 7.667 1.674 503 HG2 PRO 64 2HG PRO 64 11.937 8.268 0.868 504 HG3 PRO 64 1HG PRO 64 11.220 9.053 2.288 505 HD2 PRO 64 2HD PRO 64 13.204 6.799 2.169 506 HD3 PRO 64 1HD PRO 64 13.177 8.218 3.238 507 H GLY 65 H GLY 65 8.757 5.017 4.501 508 HA2 GLY 65 2HA GLY 65 9.772 2.456 4.146 509 HA3 GLY 65 1HA GLY 65 8.107 2.822 4.552 510 H LEU 66 H LEU 66 9.964 1.173 2.432 511 HA LEU 66 HA LEU 66 8.054 1.431 0.203 512 HB2 LEU 66 2HB LEU 66 10.635 -0.147 0.331 513 HB3 LEU 66 1HB LEU 66 9.660 0.151 -1.098 514 HG LEU 66 HG LEU 66 11.158 2.263 0.470 515 HD11 LEU 66 1HD1 LEU 66 12.668 0.794 -0.755 516 HD12 LEU 66 2HD1 LEU 66 12.616 2.398 -1.488 517 HD13 LEU 66 3HD1 LEU 66 11.742 1.057 -2.234 518 HD21 LEU 66 3HD2 LEU 66 9.574 2.483 -2.095 519 HD22 LEU 66 1HD2 LEU 66 10.571 3.756 -1.394 520 HD23 LEU 66 2HD2 LEU 66 9.143 3.185 -0.535 521 H TRP 67 H TRP 67 6.853 -0.379 -0.518 522 HA TRP 67 HA TRP 67 6.673 -2.573 1.454 523 HB2 TRP 67 2HB TRP 67 4.388 -1.280 -0.058 524 HB3 TRP 67 1HB TRP 67 4.246 -2.579 1.123 525 HD1 TRP 67 HD1 TRP 67 4.518 1.178 0.851 526 HE1 TRP 67 HE1 TRP 67 4.368 2.223 3.195 527 HE3 TRP 67 HE3 TRP 67 4.897 -3.079 3.669 528 HZ2 TRP 67 HZ2 TRP 67 4.407 1.365 5.882 529 HZ3 TRP 67 HZ3 TRP 67 4.833 -2.874 6.122 530 HH2 TRP 67 HH2 TRP 67 4.594 -0.700 7.204 531 H ARG 68 H ARG 68 6.265 -4.641 0.745 532 HA ARG 68 HA ARG 68 5.591 -5.118 -2.059 533 HB2 ARG 68 2HB ARG 68 7.392 -6.667 -2.462 534 HB3 ARG 68 1HB ARG 68 8.103 -5.158 -1.906 535 HG2 ARG 68 2HG ARG 68 8.368 -6.105 0.338 536 HG3 ARG 68 1HG ARG 68 7.653 -7.620 -0.217 537 HD2 ARG 68 2HD ARG 68 9.502 -7.888 -1.820 538 HD3 ARG 68 1HD ARG 68 10.217 -6.384 -1.234 539 HE ARG 68 HE ARG 68 9.748 -8.497 0.721 540 HH11 ARG 68 1HH1 ARG 68 12.021 -6.831 -1.266 541 HH12 ARG 68 2HH1 ARG 68 13.381 -7.404 -0.371 542 HH21 ARG 68 1HH2 ARG 68 11.479 -9.182 1.873 543 HH22 ARG 68 2HH2 ARG 68 13.077 -8.689 1.418 544 H LEU 69 H LEU 69 4.122 -6.786 -2.221 545 HA LEU 69 HA LEU 69 3.351 -8.234 0.124 546 HB2 LEU 69 2HB LEU 69 1.881 -9.530 -1.479 547 HB3 LEU 69 1HB LEU 69 1.601 -7.807 -1.374 548 HG LEU 69 HG LEU 69 2.985 -7.571 -3.497 549 HD11 LEU 69 1HD1 LEU 69 3.136 -9.555 -4.934 550 HD12 LEU 69 2HD1 LEU 69 2.559 -10.558 -3.600 551 HD13 LEU 69 3HD1 LEU 69 4.109 -9.722 -3.472 552 HD21 LEU 69 3HD2 LEU 69 0.558 -7.371 -3.466 553 HD22 LEU 69 1HD2 LEU 69 0.395 -9.121 -3.628 554 HD23 LEU 69 2HD2 LEU 69 1.103 -8.173 -4.937 555 H LEU 70 H LEU 70 3.219 -10.683 0.142 556 HA LEU 70 HA LEU 70 5.890 -11.649 0.058 557 HB2 LEU 70 2HB LEU 70 3.327 -13.179 0.516 558 HB3 LEU 70 1HB LEU 70 4.942 -13.773 0.854 559 HG LEU 70 HG LEU 70 3.584 -11.448 2.237 560 HD11 LEU 70 1HD1 LEU 70 3.589 -12.907 4.205 561 HD12 LEU 70 2HD1 LEU 70 4.260 -14.220 3.234 562 HD13 LEU 70 3HD1 LEU 70 2.646 -13.601 2.885 563 HD21 LEU 70 3HD2 LEU 70 6.292 -12.692 2.747 564 HD22 LEU 70 1HD2 LEU 70 5.528 -11.432 3.720 565 HD23 LEU 70 2HD2 LEU 70 5.998 -11.094 2.054 566 H GLU 71 H GLU 71 6.543 -11.514 -2.112 567 HA GLU 71 HA GLU 71 7.105 -12.344 -4.135 568 HB2 GLU 71 2HB GLU 71 5.766 -14.795 -3.008 569 HB3 GLU 71 1HB GLU 71 6.418 -14.779 -4.640 570 HG2 GLU 71 2HG GLU 71 8.054 -15.747 -3.205 571 HG3 GLU 71 1HG GLU 71 8.636 -14.158 -3.689 Start of MODEL 19 1 H1 MET 1 1H MET 1 -18.810 3.875 4.504 2 H2 MET 1 2H MET 1 -17.997 4.525 3.172 3 H3 MET 1 3H MET 1 -17.768 5.188 4.709 4 HA MET 1 HA MET 1 -15.875 3.857 4.100 5 HB2 MET 1 2HB MET 1 -17.557 2.458 6.201 6 HB3 MET 1 1HB MET 1 -15.806 2.391 6.056 7 HG2 MET 1 2HG MET 1 -17.453 4.822 6.739 8 HG3 MET 1 1HG MET 1 -16.451 3.883 7.846 9 HE1 MET 1 3HE MET 1 -15.311 6.158 8.620 10 HE2 MET 1 1HE MET 1 -16.267 7.084 7.462 11 HE3 MET 1 2HE MET 1 -14.515 7.281 7.520 12 H SER 2 H SER 2 -15.953 2.883 2.061 13 HA SER 2 HA SER 2 -17.463 0.400 1.724 14 HB2 SER 2 2HB SER 2 -15.732 1.908 -0.257 15 HB3 SER 2 1HB SER 2 -16.766 0.531 -0.632 16 HG SER 2 HG SER 2 -18.116 2.534 0.653 17 H GLU 3 H GLU 3 -16.511 -1.607 1.204 18 HA GLU 3 HA GLU 3 -14.089 -2.260 2.489 19 HB2 GLU 3 2HB GLU 3 -15.304 -3.878 0.241 20 HB3 GLU 3 1HB GLU 3 -14.348 -4.460 1.595 21 HG2 GLU 3 2HG GLU 3 -17.159 -3.381 1.701 22 HG3 GLU 3 1HG GLU 3 -16.662 -5.060 1.887 23 H SER 4 H SER 4 -14.728 -0.997 -0.642 24 HA SER 4 HA SER 4 -12.589 -1.880 -2.183 25 HB2 SER 4 2HB SER 4 -13.836 0.880 -2.285 26 HB3 SER 4 1HB SER 4 -12.972 0.070 -3.590 27 HG SER 4 HG SER 4 -14.651 -1.576 -3.466 28 H ILE 5 H ILE 5 -12.597 0.501 0.381 29 HA ILE 5 HA ILE 5 -10.395 2.068 -0.230 30 HB ILE 5 HB ILE 5 -11.240 1.086 2.510 31 HG12 ILE 5 2HG1 ILE 5 -11.902 3.643 1.016 32 HG13 ILE 5 1HG1 ILE 5 -13.006 2.297 1.276 33 HG21 ILE 5 1HG2 ILE 5 -8.952 1.923 2.570 34 HG22 ILE 5 2HG2 ILE 5 -10.036 3.047 3.388 35 HG23 ILE 5 3HG2 ILE 5 -9.456 3.408 1.762 36 HD11 ILE 5 3HD1 ILE 5 -11.812 4.049 3.416 37 HD12 ILE 5 1HD1 ILE 5 -12.907 2.693 3.690 38 HD13 ILE 5 2HD1 ILE 5 -13.469 4.115 2.811 39 H VAL 6 H VAL 6 -10.327 -0.910 1.761 40 HA VAL 6 HA VAL 6 -7.469 -1.013 1.862 41 HB VAL 6 HB VAL 6 -9.443 -3.246 2.415 42 HG11 VAL 6 1HG1 VAL 6 -7.153 -4.048 2.104 43 HG12 VAL 6 2HG1 VAL 6 -7.659 -4.215 3.782 44 HG13 VAL 6 3HG1 VAL 6 -6.576 -2.903 3.315 45 HG21 VAL 6 3HG2 VAL 6 -9.942 -1.293 3.785 46 HG22 VAL 6 1HG2 VAL 6 -8.259 -1.210 4.311 47 HG23 VAL 6 2HG2 VAL 6 -9.263 -2.586 4.775 48 H THR 7 H THR 7 -9.926 -2.793 0.015 49 HA THR 7 HA THR 7 -8.315 -4.621 -1.315 50 HB THR 7 HB THR 7 -10.814 -3.275 -2.384 51 HG1 THR 7 HG1 THR 7 -11.920 -4.781 -1.258 52 HG21 THR 7 3HG2 THR 7 -9.538 -5.917 -3.136 53 HG22 THR 7 1HG2 THR 7 -9.599 -4.473 -4.148 54 HG23 THR 7 2HG2 THR 7 -11.089 -5.320 -3.728 55 H LYS 8 H LYS 8 -9.059 -1.268 -2.224 56 HA LYS 8 HA LYS 8 -7.806 -1.260 -4.745 57 HB2 LYS 8 2HB LYS 8 -9.298 0.536 -4.088 58 HB3 LYS 8 1HB LYS 8 -8.239 0.986 -2.760 59 HG2 LYS 8 2HG LYS 8 -8.041 2.538 -4.634 60 HG3 LYS 8 1HG LYS 8 -6.520 1.695 -4.335 61 HD2 LYS 8 2HD LYS 8 -7.044 0.141 -6.186 62 HD3 LYS 8 1HD LYS 8 -8.534 1.033 -6.495 63 HE2 LYS 8 2HE LYS 8 -7.255 3.035 -7.031 64 HE3 LYS 8 1HE LYS 8 -5.751 2.202 -6.637 65 HZ1 LYS 8 3HZ LYS 8 -6.166 0.671 -8.455 66 HZ2 LYS 8 1HZ LYS 8 -6.125 2.265 -9.014 67 HZ3 LYS 8 2HZ LYS 8 -7.605 1.471 -8.837 68 H ILE 9 H ILE 9 -6.545 -0.287 -1.549 69 HA ILE 9 HA ILE 9 -3.951 0.387 -2.314 70 HB ILE 9 HB ILE 9 -4.903 -0.825 0.292 71 HG12 ILE 9 2HG1 ILE 9 -4.406 2.060 -0.521 72 HG13 ILE 9 1HG1 ILE 9 -5.987 1.312 -0.311 73 HG21 ILE 9 1HG2 ILE 9 -2.853 0.111 1.286 74 HG22 ILE 9 2HG2 ILE 9 -2.299 0.582 -0.322 75 HG23 ILE 9 3HG2 ILE 9 -2.497 -1.124 0.079 76 HD11 ILE 9 3HD1 ILE 9 -5.505 0.978 2.063 77 HD12 ILE 9 1HD1 ILE 9 -5.415 2.676 1.599 78 HD13 ILE 9 2HD1 ILE 9 -3.934 1.752 1.847 79 H ILE 10 H ILE 10 -5.193 -2.788 -1.244 80 HA ILE 10 HA ILE 10 -2.819 -4.258 -1.504 81 HB ILE 10 HB ILE 10 -5.657 -5.210 -1.987 82 HG12 ILE 10 2HG1 ILE 10 -3.953 -5.285 0.523 83 HG13 ILE 10 1HG1 ILE 10 -5.312 -4.200 0.247 84 HG21 ILE 10 1HG2 ILE 10 -3.145 -6.791 -1.400 85 HG22 ILE 10 2HG2 ILE 10 -4.048 -6.784 -2.915 86 HG23 ILE 10 3HG2 ILE 10 -4.779 -7.458 -1.459 87 HD11 ILE 10 3HD1 ILE 10 -5.458 -7.205 0.420 88 HD12 ILE 10 1HD1 ILE 10 -6.822 -6.117 0.150 89 HD13 ILE 10 2HD1 ILE 10 -5.936 -6.061 1.676 90 H SER 11 H SER 11 -5.369 -3.604 -3.889 91 HA SER 11 HA SER 11 -4.280 -5.065 -6.037 92 HB2 SER 11 2HB SER 11 -6.583 -4.321 -6.114 93 HB3 SER 11 1HB SER 11 -6.082 -2.631 -6.052 94 HG SER 11 HG SER 11 -5.597 -4.491 -8.154 95 H ILE 12 H ILE 12 -3.678 -1.760 -4.938 96 HA ILE 12 HA ILE 12 -2.172 -0.885 -7.170 97 HB ILE 12 HB ILE 12 -2.017 0.005 -4.277 98 HG12 ILE 12 2HG1 ILE 12 -3.414 1.300 -6.637 99 HG13 ILE 12 1HG1 ILE 12 -4.223 0.301 -5.434 100 HG21 ILE 12 1HG2 ILE 12 0.038 0.600 -5.433 101 HG22 ILE 12 2HG2 ILE 12 -0.933 2.040 -5.140 102 HG23 ILE 12 3HG2 ILE 12 -0.886 1.324 -6.750 103 HD11 ILE 12 3HD1 ILE 12 -4.539 2.672 -5.009 104 HD12 ILE 12 1HD1 ILE 12 -2.793 2.891 -4.886 105 HD13 ILE 12 2HD1 ILE 12 -3.645 1.899 -3.700 106 H VAL 13 H VAL 13 -1.112 -2.243 -4.034 107 HA VAL 13 HA VAL 13 1.635 -2.295 -4.486 108 HB VAL 13 HB VAL 13 -0.002 -4.359 -2.981 109 HG11 VAL 13 1HG1 VAL 13 2.255 -5.169 -3.450 110 HG12 VAL 13 2HG1 VAL 13 2.075 -4.801 -1.735 111 HG13 VAL 13 3HG1 VAL 13 2.942 -3.685 -2.790 112 HG21 VAL 13 3HG2 VAL 13 -0.406 -2.090 -2.164 113 HG22 VAL 13 1HG2 VAL 13 1.329 -1.825 -1.997 114 HG23 VAL 13 2HG2 VAL 13 0.516 -3.022 -0.986 115 H GLN 14 H GLN 14 -0.755 -4.845 -5.213 116 HA GLN 14 HA GLN 14 1.005 -6.624 -6.493 117 HB2 GLN 14 2HB GLN 14 -1.184 -7.344 -5.762 118 HB3 GLN 14 1HB GLN 14 -1.971 -6.209 -6.851 119 HG2 GLN 14 2HG GLN 14 -1.175 -7.442 -8.774 120 HG3 GLN 14 1HG GLN 14 -0.260 -8.530 -7.734 121 HE21 GLN 14 1HE2 GLN 14 -2.349 -8.732 -5.728 122 HE22 GLN 14 2HE2 GLN 14 -3.589 -9.715 -6.416 123 H GLU 15 H GLU 15 -0.984 -3.989 -7.816 124 HA GLU 15 HA GLU 15 -0.486 -4.496 -10.536 125 HB2 GLU 15 2HB GLU 15 -2.242 -2.931 -9.490 126 HB3 GLU 15 1HB GLU 15 -0.958 -1.730 -9.426 127 HG2 GLU 15 2HG GLU 15 -2.392 -1.484 -11.408 128 HG3 GLU 15 1HG GLU 15 -0.709 -1.802 -11.830 129 H ARG 16 H ARG 16 1.262 -2.532 -8.172 130 HA ARG 16 HA ARG 16 3.217 -1.517 -9.942 131 HB2 ARG 16 2HB ARG 16 3.383 -2.090 -6.976 132 HB3 ARG 16 1HB ARG 16 4.613 -1.221 -7.885 133 HG2 ARG 16 2HG ARG 16 1.760 -0.366 -7.414 134 HG3 ARG 16 1HG ARG 16 3.222 0.364 -6.747 135 HD2 ARG 16 2HD ARG 16 2.336 0.338 -9.633 136 HD3 ARG 16 1HD ARG 16 2.444 1.732 -8.561 137 HE ARG 16 HE ARG 16 4.833 0.213 -9.391 138 HH11 ARG 16 1HH1 ARG 16 3.159 3.185 -8.949 139 HH12 ARG 16 2HH1 ARG 16 4.526 4.151 -9.394 140 HH21 ARG 16 1HH2 ARG 16 6.555 1.420 -10.043 141 HH22 ARG 16 2HH2 ARG 16 6.427 3.153 -10.077 142 H GLN 17 H GLN 17 3.075 -4.523 -8.041 143 HA GLN 17 HA GLN 17 5.629 -5.445 -8.941 144 HB2 GLN 17 2HB GLN 17 3.317 -6.933 -7.695 145 HB3 GLN 17 1HB GLN 17 4.875 -7.665 -8.060 146 HG2 GLN 17 2HG GLN 17 5.908 -5.862 -6.596 147 HG3 GLN 17 1HG GLN 17 4.267 -5.488 -6.072 148 HE21 GLN 17 1HE2 GLN 17 6.535 -6.499 -4.541 149 HE22 GLN 17 2HE2 GLN 17 6.021 -7.995 -3.850 150 H ASN 18 H ASN 18 2.678 -5.159 -10.555 151 HA ASN 18 HA ASN 18 3.351 -7.156 -12.563 152 HB2 ASN 18 2HB ASN 18 1.289 -4.935 -12.614 153 HB3 ASN 18 1HB ASN 18 1.459 -6.185 -13.842 154 HD21 ASN 18 1HD2 ASN 18 -0.806 -5.550 -12.154 155 HD22 ASN 18 2HD2 ASN 18 -1.161 -6.986 -11.257 156 H MET 19 H MET 19 3.469 -3.638 -12.179 157 HA MET 19 HA MET 19 4.650 -3.142 -14.754 158 HB2 MET 19 2HB MET 19 4.479 -1.320 -12.335 159 HB3 MET 19 1HB MET 19 4.855 -0.827 -13.982 160 HG2 MET 19 2HG MET 19 2.241 -2.003 -13.052 161 HG3 MET 19 1HG MET 19 2.550 -0.300 -13.378 162 HE1 MET 19 3HE MET 19 4.397 -0.463 -15.987 163 HE2 MET 19 1HE MET 19 3.065 0.677 -15.793 164 HE3 MET 19 2HE MET 19 3.173 -0.312 -17.249 165 H ASP 20 H ASP 20 5.959 -2.428 -11.500 166 HA ASP 20 HA ASP 20 8.678 -2.403 -12.371 167 HB2 ASP 20 2HB ASP 20 7.687 -2.716 -9.528 168 HB3 ASP 20 1HB ASP 20 9.233 -2.061 -10.056 169 H ASP 21 H ASP 21 6.529 -4.885 -11.553 170 HA ASP 21 HA ASP 21 6.677 -7.130 -11.654 171 HB2 ASP 21 2HB ASP 21 8.442 -6.747 -13.395 172 HB3 ASP 21 1HB ASP 21 9.651 -6.872 -12.119 173 H GLY 22 H GLY 22 9.786 -6.242 -10.054 174 HA2 GLY 22 2HA GLY 22 8.793 -7.661 -7.650 175 HA3 GLY 22 1HA GLY 22 10.348 -8.085 -8.341 176 H ALA 23 H ALA 23 9.044 -4.813 -8.034 177 HA ALA 23 HA ALA 23 11.344 -4.132 -6.323 178 HB1 ALA 23 3HB ALA 23 9.540 -2.337 -7.951 179 HB2 ALA 23 1HB ALA 23 11.157 -2.872 -8.405 180 HB3 ALA 23 2HB ALA 23 10.938 -1.813 -7.011 181 HA PRO 24 HA PRO 24 8.680 -3.244 -2.816 182 HB2 PRO 24 2HB PRO 24 10.094 -1.236 -1.625 183 HB3 PRO 24 1HB PRO 24 10.573 -2.935 -1.540 184 HG2 PRO 24 2HG PRO 24 11.585 -0.770 -3.356 185 HG3 PRO 24 1HG PRO 24 12.503 -1.996 -2.461 186 HD2 PRO 24 2HD PRO 24 11.956 -2.253 -5.092 187 HD3 PRO 24 1HD PRO 24 12.035 -3.658 -4.008 188 H VAL 25 H VAL 25 6.847 -2.069 -2.696 189 HA VAL 25 HA VAL 25 6.426 0.058 -4.598 190 HB VAL 25 HB VAL 25 4.491 -1.019 -2.530 191 HG11 VAL 25 1HG1 VAL 25 2.763 -0.133 -4.036 192 HG12 VAL 25 2HG1 VAL 25 4.019 0.528 -5.084 193 HG13 VAL 25 3HG1 VAL 25 3.825 1.143 -3.442 194 HG21 VAL 25 3HG2 VAL 25 5.300 -2.828 -3.954 195 HG22 VAL 25 1HG2 VAL 25 4.920 -1.888 -5.398 196 HG23 VAL 25 2HG2 VAL 25 3.624 -2.444 -4.340 197 H LYS 26 H LYS 26 6.174 2.202 -4.219 198 HA LYS 26 HA LYS 26 7.058 3.204 -1.631 199 HB2 LYS 26 2HB LYS 26 6.487 4.677 -4.218 200 HB3 LYS 26 1HB LYS 26 7.160 5.404 -2.768 201 HG2 LYS 26 2HG LYS 26 8.951 5.037 -4.274 202 HG3 LYS 26 1HG LYS 26 9.108 3.844 -2.987 203 HD2 LYS 26 2HD LYS 26 8.133 2.131 -4.424 204 HD3 LYS 26 1HD LYS 26 7.885 3.323 -5.703 205 HE2 LYS 26 2HE LYS 26 10.571 2.531 -4.566 206 HE3 LYS 26 1HE LYS 26 9.886 1.904 -6.065 207 HZ1 LYS 26 3HZ LYS 26 11.441 3.703 -6.475 208 HZ2 LYS 26 1HZ LYS 26 10.523 4.755 -5.521 209 HZ3 LYS 26 2HZ LYS 26 9.884 4.145 -6.962 210 H THR 27 H THR 27 5.812 4.280 -0.178 211 HA THR 27 HA THR 27 3.042 4.081 -0.141 212 HB THR 27 HB THR 27 4.748 6.126 1.311 213 HG1 THR 27 HG1 THR 27 5.310 3.953 1.811 214 HG21 THR 27 3HG2 THR 27 2.889 6.196 2.948 215 HG22 THR 27 1HG2 THR 27 1.926 5.180 1.877 216 HG23 THR 27 2HG2 THR 27 2.402 6.801 1.362 217 H ARG 28 H ARG 28 5.030 6.622 -1.547 218 HA ARG 28 HA ARG 28 3.076 8.614 -1.917 219 HB2 ARG 28 2HB ARG 28 5.685 7.955 -3.218 220 HB3 ARG 28 1HB ARG 28 4.634 9.098 -4.034 221 HG2 ARG 28 2HG ARG 28 6.318 10.195 -2.633 222 HG3 ARG 28 1HG ARG 28 4.672 10.573 -2.128 223 HD2 ARG 28 2HD ARG 28 4.831 9.120 -0.245 224 HD3 ARG 28 1HD ARG 28 6.338 8.419 -0.834 225 HE ARG 28 HE ARG 28 7.424 10.519 -0.350 226 HH11 ARG 28 1HH1 ARG 28 4.278 10.150 1.017 227 HH12 ARG 28 2HH1 ARG 28 4.569 11.314 2.259 228 HH21 ARG 28 1HH2 ARG 28 7.763 12.011 1.239 229 HH22 ARG 28 2HH2 ARG 28 6.502 12.365 2.369 230 H ASP 29 H ASP 29 4.177 6.118 -4.233 231 HA ASP 29 HA ASP 29 2.410 6.707 -6.310 232 HB2 ASP 29 2HB ASP 29 3.595 4.022 -5.547 233 HB3 ASP 29 1HB ASP 29 2.885 4.414 -7.112 234 H ILE 30 H ILE 30 1.961 4.623 -3.484 235 HA ILE 30 HA ILE 30 -0.540 3.533 -4.259 236 HB ILE 30 HB ILE 30 0.506 3.950 -1.449 237 HG12 ILE 30 2HG1 ILE 30 0.776 1.548 -3.287 238 HG13 ILE 30 1HG1 ILE 30 2.073 2.669 -2.888 239 HG21 ILE 30 1HG2 ILE 30 -1.615 2.080 -2.522 240 HG22 ILE 30 2HG2 ILE 30 -1.882 3.476 -1.479 241 HG23 ILE 30 3HG2 ILE 30 -1.000 2.077 -0.870 242 HD11 ILE 30 3HD1 ILE 30 0.644 0.849 -0.964 243 HD12 ILE 30 1HD1 ILE 30 1.914 1.996 -0.537 244 HD13 ILE 30 2HD1 ILE 30 2.274 0.636 -1.601 245 H ALA 31 H ALA 31 0.253 6.264 -2.095 246 HA ALA 31 HA ALA 31 -2.373 7.096 -1.561 247 HB1 ALA 31 3HB ALA 31 -0.413 7.895 -0.311 248 HB2 ALA 31 1HB ALA 31 -1.399 9.233 -0.908 249 HB3 ALA 31 2HB ALA 31 0.107 8.815 -1.724 250 H ASP 32 H ASP 32 -0.246 7.791 -4.276 251 HA ASP 32 HA ASP 32 -1.772 9.851 -5.473 252 HB2 ASP 32 2HB ASP 32 0.568 9.481 -6.046 253 HB3 ASP 32 1HB ASP 32 0.191 7.882 -6.681 254 H ALA 33 H ALA 33 -1.622 6.347 -6.181 255 HA ALA 33 HA ALA 33 -3.630 6.446 -8.205 256 HB1 ALA 33 3HB ALA 33 -2.632 4.041 -6.678 257 HB2 ALA 33 1HB ALA 33 -1.882 4.714 -8.126 258 HB3 ALA 33 2HB ALA 33 -3.503 4.026 -8.211 259 H ALA 34 H ALA 34 -3.729 5.744 -4.744 260 HA ALA 34 HA ALA 34 -6.461 4.808 -4.787 261 HB1 ALA 34 3HB ALA 34 -6.256 4.649 -2.372 262 HB2 ALA 34 1HB ALA 34 -4.745 5.561 -2.416 263 HB3 ALA 34 2HB ALA 34 -4.832 3.960 -3.149 264 H GLY 35 H GLY 35 -4.857 7.876 -4.119 265 HA2 GLY 35 2HA GLY 35 -5.861 9.996 -4.129 266 HA3 GLY 35 1HA GLY 35 -7.442 9.231 -4.074 267 H LEU 36 H LEU 36 -5.686 7.743 -1.736 268 HA LEU 36 HA LEU 36 -6.919 9.275 0.399 269 HB2 LEU 36 2HB LEU 36 -5.153 6.824 0.561 270 HB3 LEU 36 1HB LEU 36 -6.129 7.485 1.861 271 HG LEU 36 HG LEU 36 -7.183 6.251 -0.692 272 HD11 LEU 36 1HD1 LEU 36 -6.221 4.608 0.832 273 HD12 LEU 36 2HD1 LEU 36 -7.975 4.450 0.746 274 HD13 LEU 36 3HD1 LEU 36 -7.227 5.223 2.145 275 HD21 LEU 36 3HD2 LEU 36 -8.656 8.028 0.095 276 HD22 LEU 36 1HD2 LEU 36 -8.677 7.314 1.710 277 HD23 LEU 36 2HD2 LEU 36 -9.393 6.447 0.351 278 H SER 37 H SER 37 -5.645 9.951 2.328 279 HA SER 37 HA SER 37 -3.294 11.420 1.498 280 HB2 SER 37 2HB SER 37 -4.911 12.485 2.997 281 HB3 SER 37 1HB SER 37 -4.625 11.242 4.214 282 HG SER 37 HG SER 37 -3.182 13.486 3.642 283 H ILE 38 H ILE 38 -1.263 11.422 2.727 284 HA ILE 38 HA ILE 38 -0.004 8.966 2.563 285 HB ILE 38 HB ILE 38 0.875 11.333 4.230 286 HG12 ILE 38 2HG1 ILE 38 0.466 11.941 1.884 287 HG13 ILE 38 1HG1 ILE 38 2.188 11.976 2.240 288 HG21 ILE 38 1HG2 ILE 38 2.105 9.320 4.833 289 HG22 ILE 38 2HG2 ILE 38 3.148 10.434 3.951 290 HG23 ILE 38 3HG2 ILE 38 2.482 9.018 3.135 291 HD11 ILE 38 3HD1 ILE 38 1.745 11.000 0.060 292 HD12 ILE 38 1HD1 ILE 38 0.737 9.760 0.808 293 HD13 ILE 38 2HD1 ILE 38 2.467 9.815 1.149 294 H TYR 39 H TYR 39 -0.975 10.604 5.620 295 HA TYR 39 HA TYR 39 -0.066 8.593 7.344 296 HB2 TYR 39 2HB TYR 39 -1.377 9.594 9.074 297 HB3 TYR 39 1HB TYR 39 -0.816 10.899 8.040 298 HD1 TYR 39 HD1 TYR 39 -2.427 12.014 6.483 299 HD2 TYR 39 HD2 TYR 39 -3.712 9.153 9.361 300 HE1 TYR 39 HE1 TYR 39 -4.737 12.808 6.231 301 HE2 TYR 39 HE2 TYR 39 -6.028 9.937 9.112 302 HH TYR 39 HH TYR 39 -7.182 12.080 8.376 303 H GLN 40 H GLN 40 -3.226 8.976 5.799 304 HA GLN 40 HA GLN 40 -4.555 6.833 7.051 305 HB2 GLN 40 2HB GLN 40 -5.708 8.628 5.841 306 HB3 GLN 40 1HB GLN 40 -4.998 8.089 4.328 307 HG2 GLN 40 2HG GLN 40 -6.242 5.996 4.477 308 HG3 GLN 40 1HG GLN 40 -6.936 6.512 6.016 309 HE21 GLN 40 1HE2 GLN 40 -9.047 6.426 5.203 310 HE22 GLN 40 2HE2 GLN 40 -9.643 7.602 4.090 311 H VAL 41 H VAL 41 -2.805 7.009 3.958 312 HA VAL 41 HA VAL 41 -3.236 4.373 3.109 313 HB VAL 41 HB VAL 41 -0.869 6.172 2.521 314 HG11 VAL 41 1HG1 VAL 41 -0.556 4.788 0.513 315 HG12 VAL 41 2HG1 VAL 41 -1.841 3.710 1.059 316 HG13 VAL 41 3HG1 VAL 41 -0.352 3.849 1.991 317 HG21 VAL 41 3HG2 VAL 41 -3.023 7.168 1.910 318 HG22 VAL 41 1HG2 VAL 41 -3.428 5.724 0.977 319 HG23 VAL 41 2HG2 VAL 41 -2.082 6.749 0.476 320 H ARG 42 H ARG 42 -0.423 5.721 4.907 321 HA ARG 42 HA ARG 42 0.974 3.272 5.044 322 HB2 ARG 42 2HB ARG 42 2.392 4.294 6.716 323 HB3 ARG 42 1HB ARG 42 2.057 5.452 5.435 324 HG2 ARG 42 2HG ARG 42 0.536 6.663 6.808 325 HG3 ARG 42 1HG ARG 42 0.550 5.402 8.042 326 HD2 ARG 42 2HD ARG 42 2.917 7.106 7.250 327 HD3 ARG 42 1HD ARG 42 1.913 7.354 8.680 328 HE ARG 42 HE ARG 42 3.141 4.739 8.461 329 HH11 ARG 42 1HH1 ARG 42 3.402 7.931 9.739 330 HH12 ARG 42 2HH1 ARG 42 4.518 7.458 10.970 331 HH21 ARG 42 1HH2 ARG 42 4.593 4.162 10.029 332 HH22 ARG 42 2HH2 ARG 42 5.180 5.357 11.133 333 H LEU 43 H LEU 43 -1.629 4.528 7.020 334 HA LEU 43 HA LEU 43 -1.338 2.754 9.212 335 HB2 LEU 43 2HB LEU 43 -3.776 4.146 8.098 336 HB3 LEU 43 1HB LEU 43 -3.809 3.176 9.559 337 HG LEU 43 HG LEU 43 -2.172 5.686 9.153 338 HD11 LEU 43 1HD1 LEU 43 -4.565 6.136 9.342 339 HD12 LEU 43 2HD1 LEU 43 -3.692 6.698 10.766 340 HD13 LEU 43 3HD1 LEU 43 -4.627 5.205 10.839 341 HD21 LEU 43 3HD2 LEU 43 -1.649 5.498 11.539 342 HD22 LEU 43 1HD2 LEU 43 -1.040 4.112 10.635 343 HD23 LEU 43 2HD2 LEU 43 -2.504 3.956 11.607 344 H TYR 44 H TYR 44 -3.415 2.525 6.296 345 HA TYR 44 HA TYR 44 -4.323 -0.105 6.855 346 HB2 TYR 44 2HB TYR 44 -4.203 1.460 4.274 347 HB3 TYR 44 1HB TYR 44 -4.915 -0.146 4.386 348 HD1 TYR 44 HD1 TYR 44 -6.873 -0.487 5.980 349 HD2 TYR 44 HD2 TYR 44 -5.466 3.377 4.865 350 HE1 TYR 44 HE1 TYR 44 -9.007 0.496 6.705 351 HE2 TYR 44 HE2 TYR 44 -7.597 4.362 5.587 352 HH TYR 44 HH TYR 44 -9.900 2.627 7.424 353 H LEU 45 H LEU 45 -1.589 1.073 4.904 354 HA LEU 45 HA LEU 45 -0.631 -1.384 3.958 355 HB2 LEU 45 2HB LEU 45 0.851 1.120 4.777 356 HB3 LEU 45 1HB LEU 45 1.628 -0.238 3.982 357 HG LEU 45 HG LEU 45 -0.638 1.372 2.792 358 HD11 LEU 45 1HD1 LEU 45 1.051 2.376 1.350 359 HD12 LEU 45 2HD1 LEU 45 2.320 1.496 2.199 360 HD13 LEU 45 3HD1 LEU 45 1.387 2.730 3.044 361 HD21 LEU 45 3HD2 LEU 45 -0.028 0.220 0.716 362 HD22 LEU 45 1HD2 LEU 45 -0.536 -0.918 1.962 363 HD23 LEU 45 2HD2 LEU 45 1.177 -0.722 1.593 364 H GLU 46 H GLU 46 -0.040 0.275 7.021 365 HA GLU 46 HA GLU 46 1.733 -1.552 8.196 366 HB2 GLU 46 2HB GLU 46 1.275 0.696 9.078 367 HB3 GLU 46 1HB GLU 46 -0.360 0.209 9.496 368 HG2 GLU 46 2HG GLU 46 0.514 -1.383 11.121 369 HG3 GLU 46 1HG GLU 46 2.164 -0.931 10.686 370 H GLN 47 H GLN 47 -1.825 -1.403 8.278 371 HA GLN 47 HA GLN 47 -2.299 -3.656 9.885 372 HB2 GLN 47 2HB GLN 47 -3.991 -2.556 7.622 373 HB3 GLN 47 1HB GLN 47 -4.549 -3.679 8.858 374 HG2 GLN 47 2HG GLN 47 -4.213 -2.023 10.581 375 HG3 GLN 47 1HG GLN 47 -3.506 -0.907 9.415 376 HE21 GLN 47 1HE2 GLN 47 -5.012 0.671 9.825 377 HE22 GLN 47 2HE2 GLN 47 -6.661 0.554 9.326 378 H LEU 48 H LEU 48 -1.796 -3.393 6.376 379 HA LEU 48 HA LEU 48 -2.230 -6.112 5.762 380 HB2 LEU 48 2HB LEU 48 -0.521 -4.034 4.395 381 HB3 LEU 48 1HB LEU 48 -0.797 -5.638 3.741 382 HG LEU 48 HG LEU 48 -2.965 -3.600 4.282 383 HD11 LEU 48 1HD1 LEU 48 -1.758 -4.481 1.659 384 HD12 LEU 48 2HD1 LEU 48 -1.511 -2.917 2.434 385 HD13 LEU 48 3HD1 LEU 48 -3.114 -3.370 1.862 386 HD21 LEU 48 3HD2 LEU 48 -3.086 -6.285 2.907 387 HD22 LEU 48 1HD2 LEU 48 -4.416 -5.133 3.051 388 HD23 LEU 48 2HD2 LEU 48 -3.755 -5.902 4.493 389 H HIS 49 H HIS 49 0.660 -4.430 6.940 390 HA HIS 49 HA HIS 49 2.343 -6.741 6.854 391 HB2 HIS 49 2HB HIS 49 3.385 -4.569 7.073 392 HB3 HIS 49 1HB HIS 49 2.493 -4.238 8.556 393 HD1 HIS 49 HD1 HIS 49 5.055 -6.771 7.308 394 HD2 HIS 49 HD2 HIS 49 3.888 -4.864 10.812 395 HE1 HIS 49 HE1 HIS 49 6.698 -7.502 9.053 396 HE2 HIS 49 HE2 HIS 49 5.856 -6.503 11.192 397 H ASP 50 H ASP 50 0.212 -5.346 9.291 398 HA ASP 50 HA ASP 50 0.781 -6.960 11.479 399 HB2 ASP 50 2HB ASP 50 -0.602 -4.951 11.596 400 HB3 ASP 50 1HB ASP 50 -1.846 -5.721 10.618 401 H VAL 51 H VAL 51 -1.521 -7.547 8.823 402 HA VAL 51 HA VAL 51 -2.332 -10.105 9.896 403 HB VAL 51 HB VAL 51 -3.679 -10.346 7.851 404 HG11 VAL 51 1HG1 VAL 51 -3.923 -7.617 9.132 405 HG12 VAL 51 2HG1 VAL 51 -4.592 -9.122 9.763 406 HG13 VAL 51 3HG1 VAL 51 -5.192 -8.462 8.242 407 HG21 VAL 51 3HG2 VAL 51 -2.158 -9.258 6.267 408 HG22 VAL 51 1HG2 VAL 51 -2.468 -7.699 7.031 409 HG23 VAL 51 2HG2 VAL 51 -3.771 -8.547 6.195 410 H GLY 52 H GLY 52 0.255 -9.060 7.899 411 HA2 GLY 52 2HA GLY 52 2.092 -10.603 7.611 412 HA3 GLY 52 1HA GLY 52 0.931 -11.898 7.403 413 H VAL 53 H VAL 53 -0.031 -9.175 5.642 414 HA VAL 53 HA VAL 53 0.570 -10.452 3.134 415 HB VAL 53 HB VAL 53 -0.654 -7.739 3.705 416 HG11 VAL 53 1HG1 VAL 53 -0.468 -9.243 1.086 417 HG12 VAL 53 2HG1 VAL 53 0.375 -7.746 1.492 418 HG13 VAL 53 3HG1 VAL 53 -1.384 -7.758 1.355 419 HG21 VAL 53 3HG2 VAL 53 -1.955 -10.329 2.854 420 HG22 VAL 53 1HG2 VAL 53 -2.773 -8.795 3.155 421 HG23 VAL 53 2HG2 VAL 53 -1.993 -9.656 4.483 422 H LEU 54 H LEU 54 1.598 -7.358 4.631 423 HA LEU 54 HA LEU 54 3.650 -7.078 2.524 424 HB2 LEU 54 2HB LEU 54 2.431 -4.999 4.348 425 HB3 LEU 54 1HB LEU 54 3.731 -4.681 3.215 426 HG LEU 54 HG LEU 54 0.921 -5.535 2.497 427 HD11 LEU 54 1HD1 LEU 54 0.716 -3.294 1.560 428 HD12 LEU 54 2HD1 LEU 54 2.348 -2.902 2.109 429 HD13 LEU 54 3HD1 LEU 54 1.074 -3.225 3.286 430 HD21 LEU 54 3HD2 LEU 54 3.291 -4.899 0.734 431 HD22 LEU 54 1HD2 LEU 54 1.632 -5.102 0.167 432 HD23 LEU 54 2HD2 LEU 54 2.484 -6.459 0.901 433 H GLU 55 H GLU 55 5.780 -6.587 3.013 434 HA GLU 55 HA GLU 55 6.616 -6.773 5.832 435 HB2 GLU 55 2HB GLU 55 8.817 -7.470 5.005 436 HB3 GLU 55 1HB GLU 55 7.561 -8.541 4.406 437 HG2 GLU 55 2HG GLU 55 7.615 -7.360 2.245 438 HG3 GLU 55 1HG GLU 55 8.917 -6.341 2.853 439 H LYS 56 H LYS 56 8.092 -5.239 6.647 440 HA LYS 56 HA LYS 56 7.824 -2.621 5.440 441 HB2 LYS 56 2HB LYS 56 9.290 -3.475 7.945 442 HB3 LYS 56 1HB LYS 56 8.975 -1.815 7.462 443 HG2 LYS 56 2HG LYS 56 6.595 -2.133 7.741 444 HG3 LYS 56 1HG LYS 56 6.832 -3.852 8.081 445 HD2 LYS 56 2HD LYS 56 7.875 -1.551 9.756 446 HD3 LYS 56 1HD LYS 56 6.490 -2.575 10.149 447 HE2 LYS 56 2HE LYS 56 7.928 -4.526 10.288 448 HE3 LYS 56 1HE LYS 56 9.322 -3.566 9.794 449 HZ1 LYS 56 3HZ LYS 56 9.284 -2.380 11.806 450 HZ2 LYS 56 1HZ LYS 56 9.099 -4.005 12.235 451 HZ3 LYS 56 2HZ LYS 56 7.761 -2.972 12.238 452 H VAL 57 H VAL 57 9.132 -2.285 3.685 453 HA VAL 57 HA VAL 57 11.926 -3.098 3.786 454 HB VAL 57 HB VAL 57 10.464 -1.600 1.600 455 HG11 VAL 57 1HG1 VAL 57 12.875 -1.223 1.516 456 HG12 VAL 57 2HG1 VAL 57 12.363 -2.250 0.178 457 HG13 VAL 57 3HG1 VAL 57 13.164 -2.962 1.580 458 HG21 VAL 57 3HG2 VAL 57 10.433 -3.772 0.426 459 HG22 VAL 57 1HG2 VAL 57 9.500 -3.803 1.923 460 HG23 VAL 57 2HG2 VAL 57 11.101 -4.543 1.866 461 H ASN 58 H ASN 58 12.726 -1.855 5.441 462 HA ASN 58 HA ASN 58 13.461 0.889 4.666 463 HB2 ASN 58 2HB ASN 58 12.537 0.045 7.435 464 HB3 ASN 58 1HB ASN 58 13.294 1.588 7.068 465 HD21 ASN 58 1HD2 ASN 58 11.920 1.935 4.544 466 HD22 ASN 58 2HD2 ASN 58 10.291 2.314 4.939 467 H ALA 59 H ALA 59 15.535 0.151 4.070 468 HA ALA 59 HA ALA 59 16.990 -1.692 5.741 469 HB1 ALA 59 3HB ALA 59 18.722 -1.572 4.052 470 HB2 ALA 59 1HB ALA 59 17.934 -0.182 3.306 471 HB3 ALA 59 2HB ALA 59 17.143 -1.759 3.292 472 H GLY 60 H GLY 60 17.721 1.659 4.673 473 HA2 GLY 60 2HA GLY 60 19.724 1.837 6.827 474 HA3 GLY 60 1HA GLY 60 19.634 2.880 5.420 475 H LYS 61 H LYS 61 19.981 4.495 7.205 476 HA LYS 61 HA LYS 61 17.548 5.161 8.705 477 HB2 LYS 61 2HB LYS 61 19.735 5.070 9.894 478 HB3 LYS 61 1HB LYS 61 20.314 6.383 8.879 479 HG2 LYS 61 2HG LYS 61 19.655 7.273 11.012 480 HG3 LYS 61 1HG LYS 61 18.521 7.835 9.784 481 HD2 LYS 61 2HD LYS 61 17.329 7.167 11.806 482 HD3 LYS 61 1HD LYS 61 16.924 6.088 10.469 483 HE2 LYS 61 2HE LYS 61 18.500 4.425 11.325 484 HE3 LYS 61 1HE LYS 61 18.942 5.508 12.643 485 HZ1 LYS 61 3HZ LYS 61 16.648 5.394 13.432 486 HZ2 LYS 61 1HZ LYS 61 17.371 3.865 13.389 487 HZ3 LYS 61 2HZ LYS 61 16.263 4.306 12.192 488 H GLY 62 H GLY 62 16.332 6.957 8.302 489 HA2 GLY 62 2HA GLY 62 15.754 9.036 7.403 490 HA3 GLY 62 1HA GLY 62 17.309 9.098 6.590 491 H VAL 63 H VAL 63 15.196 6.345 6.322 492 HA VAL 63 HA VAL 63 14.887 6.909 3.446 493 HB VAL 63 HB VAL 63 14.606 4.500 3.132 494 HG11 VAL 63 1HG1 VAL 63 16.893 3.790 3.705 495 HG12 VAL 63 2HG1 VAL 63 17.054 5.189 4.767 496 HG13 VAL 63 3HG1 VAL 63 16.860 5.420 3.029 497 HG21 VAL 63 3HG2 VAL 63 15.016 4.291 6.125 498 HG22 VAL 63 1HG2 VAL 63 14.959 2.928 5.002 499 HG23 VAL 63 2HG2 VAL 63 13.530 3.932 5.245 500 HA PRO 64 HA PRO 64 10.435 7.020 3.911 501 HB2 PRO 64 2HB PRO 64 9.641 6.378 1.414 502 HB3 PRO 64 1HB PRO 64 10.449 7.912 1.770 503 HG2 PRO 64 2HG PRO 64 11.601 5.382 0.635 504 HG3 PRO 64 1HG PRO 64 11.852 7.058 0.104 505 HD2 PRO 64 2HD PRO 64 13.627 5.716 1.681 506 HD3 PRO 64 1HD PRO 64 13.414 7.478 1.753 507 H GLY 65 H GLY 65 8.508 5.666 3.864 508 HA2 GLY 65 2HA GLY 65 9.034 2.937 4.574 509 HA3 GLY 65 1HA GLY 65 7.459 3.704 4.484 510 H LEU 66 H LEU 66 9.702 1.602 2.918 511 HA LEU 66 HA LEU 66 8.014 1.478 0.502 512 HB2 LEU 66 2HB LEU 66 10.631 0.081 1.096 513 HB3 LEU 66 1HB LEU 66 9.795 0.098 -0.445 514 HG LEU 66 HG LEU 66 11.050 2.490 0.917 515 HD11 LEU 66 1HD1 LEU 66 12.650 2.432 -0.933 516 HD12 LEU 66 2HD1 LEU 66 11.895 0.961 -1.547 517 HD13 LEU 66 3HD1 LEU 66 12.710 0.948 0.017 518 HD21 LEU 66 3HD2 LEU 66 9.680 2.284 -1.769 519 HD22 LEU 66 1HD2 LEU 66 10.531 3.699 -1.148 520 HD23 LEU 66 2HD2 LEU 66 9.066 3.132 -0.349 521 H TRP 67 H TRP 67 6.828 -0.377 -0.022 522 HA TRP 67 HA TRP 67 6.671 -2.418 2.116 523 HB2 TRP 67 2HB TRP 67 4.377 -1.293 0.490 524 HB3 TRP 67 1HB TRP 67 4.247 -2.531 1.737 525 HD1 TRP 67 HD1 TRP 67 4.745 1.229 1.284 526 HE1 TRP 67 HE1 TRP 67 4.402 2.393 3.549 527 HE3 TRP 67 HE3 TRP 67 4.430 -2.904 4.277 528 HZ2 TRP 67 HZ2 TRP 67 4.048 1.659 6.252 529 HZ3 TRP 67 HZ3 TRP 67 4.089 -2.587 6.693 530 HH2 TRP 67 HH2 TRP 67 3.903 -0.351 7.662 531 H ARG 68 H ARG 68 6.538 -4.536 1.549 532 HA ARG 68 HA ARG 68 6.275 -5.226 -1.316 533 HB2 ARG 68 2HB ARG 68 8.707 -5.105 -0.375 534 HB3 ARG 68 1HB ARG 68 8.296 -6.589 0.459 535 HG2 ARG 68 2HG ARG 68 7.849 -7.696 -1.657 536 HG3 ARG 68 1HG ARG 68 8.184 -6.198 -2.530 537 HD2 ARG 68 2HD ARG 68 10.486 -6.247 -1.478 538 HD3 ARG 68 1HD ARG 68 10.109 -7.880 -0.931 539 HE ARG 68 HE ARG 68 9.626 -7.879 -3.633 540 HH11 ARG 68 1HH1 ARG 68 12.321 -7.332 -1.561 541 HH12 ARG 68 2HH1 ARG 68 13.479 -7.776 -2.768 542 HH21 ARG 68 1HH2 ARG 68 11.126 -8.421 -5.186 543 HH22 ARG 68 2HH2 ARG 68 12.809 -8.354 -4.811 544 H LEU 69 H LEU 69 4.822 -6.909 -1.612 545 HA LEU 69 HA LEU 69 3.738 -8.161 0.751 546 HB2 LEU 69 2HB LEU 69 2.153 -9.276 -0.754 547 HB3 LEU 69 1HB LEU 69 2.188 -7.540 -0.972 548 HG LEU 69 HG LEU 69 3.800 -8.095 -2.969 549 HD11 LEU 69 1HD1 LEU 69 3.262 -10.216 -4.076 550 HD12 LEU 69 2HD1 LEU 69 2.312 -10.707 -2.673 551 HD13 LEU 69 3HD1 LEU 69 4.053 -10.473 -2.521 552 HD21 LEU 69 3HD2 LEU 69 1.614 -7.039 -3.185 553 HD22 LEU 69 1HD2 LEU 69 0.825 -8.616 -3.096 554 HD23 LEU 69 2HD2 LEU 69 1.866 -8.223 -4.465 555 H LEU 70 H LEU 70 3.951 -10.226 1.446 556 HA LEU 70 HA LEU 70 5.802 -11.986 -0.038 557 HB2 LEU 70 2HB LEU 70 6.770 -12.760 2.027 558 HB3 LEU 70 1HB LEU 70 6.908 -11.018 1.950 559 HG LEU 70 HG LEU 70 4.667 -12.312 3.500 560 HD11 LEU 70 1HD1 LEU 70 6.771 -13.297 4.306 561 HD12 LEU 70 2HD1 LEU 70 6.035 -12.236 5.505 562 HD13 LEU 70 3HD1 LEU 70 7.423 -11.679 4.569 563 HD21 LEU 70 3HD2 LEU 70 6.089 -9.654 3.741 564 HD22 LEU 70 1HD2 LEU 70 4.791 -10.220 4.794 565 HD23 LEU 70 2HD2 LEU 70 4.475 -9.918 3.088 566 H GLU 71 H GLU 71 2.731 -11.686 0.503 567 HA GLU 71 HA GLU 71 2.252 -14.559 0.917 568 HB2 GLU 71 2HB GLU 71 1.796 -13.394 3.043 569 HB3 GLU 71 1HB GLU 71 0.670 -12.325 2.219 570 HG2 GLU 71 2HG GLU 71 -0.853 -14.115 1.814 571 HG3 GLU 71 1HG GLU 71 0.322 -15.312 2.356 Start of MODEL 20 1 H1 MET 1 1H MET 1 -18.329 1.992 2.691 2 H2 MET 1 2H MET 1 -17.123 1.661 1.549 3 H3 MET 1 3H MET 1 -17.258 0.706 2.938 4 HA MET 1 HA MET 1 -19.380 -0.133 2.234 5 HB2 MET 1 2HB MET 1 -18.918 1.633 -0.183 6 HB3 MET 1 1HB MET 1 -20.178 0.412 -0.078 7 HG2 MET 1 2HG MET 1 -21.226 1.609 1.750 8 HG3 MET 1 1HG MET 1 -19.928 2.798 1.744 9 HE1 MET 1 3HE MET 1 -22.950 2.282 -1.720 10 HE2 MET 1 1HE MET 1 -22.986 1.319 -0.242 11 HE3 MET 1 2HE MET 1 -21.660 1.127 -1.388 12 H SER 2 H SER 2 -19.193 -2.190 1.535 13 HA SER 2 HA SER 2 -18.363 -4.086 0.602 14 HB2 SER 2 2HB SER 2 -17.678 -2.185 -1.652 15 HB3 SER 2 1HB SER 2 -17.650 -3.941 -1.781 16 HG SER 2 HG SER 2 -19.894 -2.271 -1.282 17 H GLU 3 H GLU 3 -16.406 -2.220 2.122 18 HA GLU 3 HA GLU 3 -14.227 -2.279 2.796 19 HB2 GLU 3 2HB GLU 3 -14.854 -4.707 3.008 20 HB3 GLU 3 1HB GLU 3 -14.169 -4.979 1.413 21 HG2 GLU 3 2HG GLU 3 -11.969 -4.305 2.231 22 HG3 GLU 3 1HG GLU 3 -12.651 -3.994 3.826 23 H SER 4 H SER 4 -14.878 -1.130 0.178 24 HA SER 4 HA SER 4 -13.289 -1.824 -1.961 25 HB2 SER 4 2HB SER 4 -13.544 0.547 -2.709 26 HB3 SER 4 1HB SER 4 -15.056 -0.184 -2.171 27 HG SER 4 HG SER 4 -14.983 1.781 -1.201 28 H ILE 5 H ILE 5 -12.449 0.708 0.428 29 HA ILE 5 HA ILE 5 -10.065 1.555 -0.642 30 HB ILE 5 HB ILE 5 -10.772 1.338 2.292 31 HG12 ILE 5 2HG1 ILE 5 -12.376 2.660 0.985 32 HG13 ILE 5 1HG1 ILE 5 -11.446 3.695 2.062 33 HG21 ILE 5 1HG2 ILE 5 -8.360 1.628 2.009 34 HG22 ILE 5 2HG2 ILE 5 -9.102 3.081 2.681 35 HG23 ILE 5 3HG2 ILE 5 -8.640 3.032 0.976 36 HD11 ILE 5 3HD1 ILE 5 -10.053 4.402 0.188 37 HD12 ILE 5 1HD1 ILE 5 -11.760 4.722 -0.116 38 HD13 ILE 5 2HD1 ILE 5 -10.970 3.351 -0.892 39 H VAL 6 H VAL 6 -10.522 -1.236 1.514 40 HA VAL 6 HA VAL 6 -7.794 -1.783 1.980 41 HB VAL 6 HB VAL 6 -10.119 -3.720 1.966 42 HG11 VAL 6 1HG1 VAL 6 -7.386 -3.982 3.236 43 HG12 VAL 6 2HG1 VAL 6 -7.970 -4.886 1.838 44 HG13 VAL 6 3HG1 VAL 6 -8.721 -5.121 3.416 45 HG21 VAL 6 3HG2 VAL 6 -10.487 -1.870 3.506 46 HG22 VAL 6 1HG2 VAL 6 -8.897 -2.125 4.227 47 HG23 VAL 6 2HG2 VAL 6 -10.154 -3.350 4.402 48 H THR 7 H THR 7 -10.036 -3.435 -0.290 49 HA THR 7 HA THR 7 -8.038 -4.964 -1.579 50 HB THR 7 HB THR 7 -10.715 -4.087 -2.708 51 HG1 THR 7 HG1 THR 7 -9.931 -6.289 -1.080 52 HG21 THR 7 3HG2 THR 7 -8.904 -6.390 -3.465 53 HG22 THR 7 1HG2 THR 7 -9.236 -4.960 -4.444 54 HG23 THR 7 2HG2 THR 7 -10.526 -6.114 -4.100 55 H LYS 8 H LYS 8 -9.305 -1.743 -2.216 56 HA LYS 8 HA LYS 8 -8.217 -1.222 -4.720 57 HB2 LYS 8 2HB LYS 8 -9.797 0.275 -3.563 58 HB3 LYS 8 1HB LYS 8 -8.561 0.678 -2.379 59 HG2 LYS 8 2HG LYS 8 -8.803 2.455 -4.010 60 HG3 LYS 8 1HG LYS 8 -7.207 1.708 -4.146 61 HD2 LYS 8 2HD LYS 8 -8.003 0.376 -6.055 62 HD3 LYS 8 1HD LYS 8 -9.590 1.139 -5.922 63 HE2 LYS 8 2HE LYS 8 -8.611 3.311 -6.416 64 HE3 LYS 8 1HE LYS 8 -6.998 2.596 -6.469 65 HZ1 LYS 8 3HZ LYS 8 -9.240 1.988 -8.318 66 HZ2 LYS 8 1HZ LYS 8 -7.717 1.251 -8.355 67 HZ3 LYS 8 2HZ LYS 8 -7.866 2.903 -8.682 68 H ILE 9 H ILE 9 -6.784 -0.561 -1.522 69 HA ILE 9 HA ILE 9 -4.312 0.406 -2.411 70 HB ILE 9 HB ILE 9 -5.059 -0.992 0.162 71 HG12 ILE 9 2HG1 ILE 9 -4.649 1.933 -0.535 72 HG13 ILE 9 1HG1 ILE 9 -6.198 1.147 -0.240 73 HG21 ILE 9 1HG2 ILE 9 -2.974 -0.079 1.111 74 HG22 ILE 9 2HG2 ILE 9 -2.493 0.459 -0.498 75 HG23 ILE 9 3HG2 ILE 9 -2.668 -1.263 -0.161 76 HD11 ILE 9 3HD1 ILE 9 -3.993 1.586 1.760 77 HD12 ILE 9 1HD1 ILE 9 -5.487 0.701 2.079 78 HD13 ILE 9 2HD1 ILE 9 -5.546 2.420 1.684 79 H ILE 10 H ILE 10 -5.237 -2.931 -1.520 80 HA ILE 10 HA ILE 10 -2.691 -4.086 -1.807 81 HB ILE 10 HB ILE 10 -5.402 -5.388 -2.158 82 HG12 ILE 10 2HG1 ILE 10 -3.548 -5.191 0.241 83 HG13 ILE 10 1HG1 ILE 10 -5.081 -4.348 0.049 84 HG21 ILE 10 1HG2 ILE 10 -4.258 -7.512 -1.739 85 HG22 ILE 10 2HG2 ILE 10 -2.708 -6.675 -1.679 86 HG23 ILE 10 3HG2 ILE 10 -3.622 -6.731 -3.186 87 HD11 ILE 10 3HD1 ILE 10 -4.718 -7.330 0.263 88 HD12 ILE 10 1HD1 ILE 10 -6.256 -6.490 0.063 89 HD13 ILE 10 2HD1 ILE 10 -5.308 -6.252 1.529 90 H SER 11 H SER 11 -5.303 -3.736 -4.218 91 HA SER 11 HA SER 11 -4.047 -5.113 -6.335 92 HB2 SER 11 2HB SER 11 -5.588 -3.987 -7.825 93 HB3 SER 11 1HB SER 11 -6.448 -4.383 -6.338 94 HG SER 11 HG SER 11 -6.443 -2.283 -5.750 95 H ILE 12 H ILE 12 -3.775 -1.754 -5.279 96 HA ILE 12 HA ILE 12 -2.170 -0.806 -7.399 97 HB ILE 12 HB ILE 12 -2.269 0.113 -4.515 98 HG12 ILE 12 2HG1 ILE 12 -3.678 1.280 -6.933 99 HG13 ILE 12 1HG1 ILE 12 -4.436 0.136 -5.831 100 HG21 ILE 12 1HG2 ILE 12 -0.252 0.936 -5.576 101 HG22 ILE 12 2HG2 ILE 12 -1.402 2.260 -5.397 102 HG23 ILE 12 3HG2 ILE 12 -1.176 1.497 -6.970 103 HD11 ILE 12 3HD1 ILE 12 -5.086 2.402 -5.310 104 HD12 ILE 12 1HD1 ILE 12 -3.395 2.866 -5.109 105 HD13 ILE 12 2HD1 ILE 12 -4.136 1.716 -3.992 106 H VAL 13 H VAL 13 -1.309 -2.326 -4.301 107 HA VAL 13 HA VAL 13 1.489 -2.078 -4.512 108 HB VAL 13 HB VAL 13 -0.056 -4.310 -3.160 109 HG11 VAL 13 1HG1 VAL 13 2.314 -4.848 -3.460 110 HG12 VAL 13 2HG1 VAL 13 1.945 -4.563 -1.759 111 HG13 VAL 13 3HG1 VAL 13 2.766 -3.319 -2.703 112 HG21 VAL 13 3HG2 VAL 13 -0.781 -2.124 -2.357 113 HG22 VAL 13 1HG2 VAL 13 0.893 -1.661 -2.046 114 HG23 VAL 13 2HG2 VAL 13 0.149 -2.960 -1.113 115 H GLN 14 H GLN 14 -0.614 -4.851 -5.379 116 HA GLN 14 HA GLN 14 1.350 -6.444 -6.598 117 HB2 GLN 14 2HB GLN 14 -0.919 -7.251 -6.020 118 HB3 GLN 14 1HB GLN 14 -1.595 -6.259 -7.303 119 HG2 GLN 14 2HG GLN 14 -1.475 -8.489 -8.117 120 HG3 GLN 14 1HG GLN 14 -0.218 -7.565 -8.935 121 HE21 GLN 14 1HE2 GLN 14 1.031 -9.350 -9.404 122 HE22 GLN 14 2HE2 GLN 14 1.868 -10.257 -8.200 123 H GLU 15 H GLU 15 -0.711 -3.908 -7.944 124 HA GLU 15 HA GLU 15 -0.203 -4.010 -10.633 125 HB2 GLU 15 2HB GLU 15 -1.754 -2.423 -9.808 126 HB3 GLU 15 1HB GLU 15 -0.570 -1.698 -8.736 127 HG2 GLU 15 2HG GLU 15 -1.057 -0.202 -10.551 128 HG3 GLU 15 1HG GLU 15 0.610 -0.755 -10.658 129 H ARG 16 H ARG 16 1.756 -2.157 -8.279 130 HA ARG 16 HA ARG 16 3.745 -1.368 -10.124 131 HB2 ARG 16 2HB ARG 16 3.979 -1.688 -7.123 132 HB3 ARG 16 1HB ARG 16 5.079 -0.776 -8.146 133 HG2 ARG 16 2HG ARG 16 2.151 -0.136 -7.785 134 HG3 ARG 16 1HG ARG 16 3.464 0.631 -6.897 135 HD2 ARG 16 2HD ARG 16 3.015 2.141 -8.609 136 HD3 ARG 16 1HD ARG 16 4.408 1.249 -9.209 137 HE ARG 16 HE ARG 16 2.545 -0.111 -10.413 138 HH11 ARG 16 1HH1 ARG 16 2.524 3.283 -9.806 139 HH12 ARG 16 2HH1 ARG 16 1.641 3.646 -11.250 140 HH21 ARG 16 1HH2 ARG 16 1.375 0.365 -12.263 141 HH22 ARG 16 2HH2 ARG 16 0.987 2.015 -12.613 142 H GLN 17 H GLN 17 3.478 -4.210 -8.029 143 HA GLN 17 HA GLN 17 6.134 -5.153 -8.657 144 HB2 GLN 17 2HB GLN 17 3.844 -6.544 -7.250 145 HB3 GLN 17 1HB GLN 17 5.493 -7.154 -7.355 146 HG2 GLN 17 2HG GLN 17 6.292 -5.168 -6.146 147 HG3 GLN 17 1HG GLN 17 4.631 -4.595 -6.013 148 HE21 GLN 17 1HE2 GLN 17 4.635 -4.628 -3.787 149 HE22 GLN 17 2HE2 GLN 17 4.615 -6.092 -2.882 150 H ASN 18 H ASN 18 3.056 -5.420 -10.178 151 HA ASN 18 HA ASN 18 3.663 -7.730 -11.762 152 HB2 ASN 18 2HB ASN 18 1.706 -5.454 -12.140 153 HB3 ASN 18 1HB ASN 18 1.880 -6.751 -13.319 154 HD21 ASN 18 1HD2 ASN 18 -0.413 -6.007 -11.668 155 HD22 ASN 18 2HD2 ASN 18 -0.816 -7.414 -10.755 156 H MET 19 H MET 19 4.155 -4.246 -12.107 157 HA MET 19 HA MET 19 5.432 -4.322 -14.646 158 HB2 MET 19 2HB MET 19 5.705 -2.363 -12.352 159 HB3 MET 19 1HB MET 19 6.416 -2.118 -13.942 160 HG2 MET 19 2HG MET 19 3.472 -2.409 -13.364 161 HG3 MET 19 1HG MET 19 4.320 -0.893 -13.679 162 HE1 MET 19 3HE MET 19 2.209 -1.404 -16.942 163 HE2 MET 19 1HE MET 19 2.595 -0.308 -15.614 164 HE3 MET 19 2HE MET 19 1.733 -1.813 -15.294 165 H ASP 20 H ASP 20 6.910 -4.005 -11.396 166 HA ASP 20 HA ASP 20 9.216 -5.569 -12.385 167 HB2 ASP 20 2HB ASP 20 9.268 -3.222 -10.469 168 HB3 ASP 20 1HB ASP 20 10.646 -4.266 -10.806 169 H ASP 21 H ASP 21 8.939 -7.537 -11.504 170 HA ASP 21 HA ASP 21 7.432 -8.090 -9.203 171 HB2 ASP 21 2HB ASP 21 8.295 -10.384 -9.401 172 HB3 ASP 21 1HB ASP 21 7.793 -9.739 -10.960 173 H GLY 22 H GLY 22 10.642 -6.925 -9.357 174 HA2 GLY 22 2HA GLY 22 11.171 -7.879 -6.599 175 HA3 GLY 22 1HA GLY 22 12.428 -7.579 -7.783 176 H ALA 23 H ALA 23 9.895 -5.251 -7.763 177 HA ALA 23 HA ALA 23 11.752 -3.334 -6.511 178 HB1 ALA 23 3HB ALA 23 10.575 -1.597 -7.751 179 HB2 ALA 23 1HB ALA 23 9.444 -2.795 -8.381 180 HB3 ALA 23 2HB ALA 23 11.146 -2.862 -8.837 181 HA PRO 24 HA PRO 24 8.814 -2.973 -3.113 182 HB2 PRO 24 2HB PRO 24 10.062 -0.946 -1.804 183 HB3 PRO 24 1HB PRO 24 10.642 -2.614 -1.759 184 HG2 PRO 24 2HG PRO 24 11.597 -0.321 -3.444 185 HG3 PRO 24 1HG PRO 24 12.548 -1.527 -2.556 186 HD2 PRO 24 2HD PRO 24 12.100 -1.700 -5.228 187 HD3 PRO 24 1HD PRO 24 12.276 -3.133 -4.193 188 H VAL 25 H VAL 25 6.965 -1.821 -2.904 189 HA VAL 25 HA VAL 25 6.444 0.347 -4.738 190 HB VAL 25 HB VAL 25 4.594 -0.776 -2.619 191 HG11 VAL 25 1HG1 VAL 25 2.804 0.082 -4.057 192 HG12 VAL 25 2HG1 VAL 25 4.006 0.733 -5.170 193 HG13 VAL 25 3HG1 VAL 25 3.882 1.376 -3.534 194 HG21 VAL 25 3HG2 VAL 25 5.351 -2.602 -4.025 195 HG22 VAL 25 1HG2 VAL 25 4.973 -1.678 -5.481 196 HG23 VAL 25 2HG2 VAL 25 3.677 -2.211 -4.410 197 H LYS 26 H LYS 26 6.069 2.482 -4.254 198 HA LYS 26 HA LYS 26 6.980 3.423 -1.643 199 HB2 LYS 26 2HB LYS 26 6.443 4.863 -4.251 200 HB3 LYS 26 1HB LYS 26 6.859 5.702 -2.765 201 HG2 LYS 26 2HG LYS 26 8.830 5.493 -4.102 202 HG3 LYS 26 1HG LYS 26 8.995 4.446 -2.693 203 HD2 LYS 26 2HD LYS 26 8.309 2.516 -4.106 204 HD3 LYS 26 1HD LYS 26 8.272 3.593 -5.504 205 HE2 LYS 26 2HE LYS 26 10.647 4.056 -5.237 206 HE3 LYS 26 1HE LYS 26 10.702 3.042 -3.794 207 HZ1 LYS 26 3HZ LYS 26 10.094 1.141 -5.163 208 HZ2 LYS 26 1HZ LYS 26 11.516 1.861 -5.727 209 HZ3 LYS 26 2HZ LYS 26 10.059 2.119 -6.543 210 H THR 27 H THR 27 5.655 4.176 -0.102 211 HA THR 27 HA THR 27 2.931 3.948 -0.010 212 HB THR 27 HB THR 27 4.526 6.129 1.377 213 HG1 THR 27 HG1 THR 27 5.429 4.375 2.201 214 HG21 THR 27 3HG2 THR 27 1.870 4.872 2.120 215 HG22 THR 27 1HG2 THR 27 2.107 6.518 1.527 216 HG23 THR 27 2HG2 THR 27 2.763 6.041 3.094 217 H ARG 28 H ARG 28 4.744 6.661 -1.344 218 HA ARG 28 HA ARG 28 2.672 8.523 -1.644 219 HB2 ARG 28 2HB ARG 28 5.086 8.117 -3.427 220 HB3 ARG 28 1HB ARG 28 4.086 9.562 -3.369 221 HG2 ARG 28 2HG ARG 28 4.761 9.945 -1.049 222 HG3 ARG 28 1HG ARG 28 5.758 8.489 -1.094 223 HD2 ARG 28 2HD ARG 28 7.072 9.495 -2.935 224 HD3 ARG 28 1HD ARG 28 6.107 10.964 -2.793 225 HE ARG 28 HE ARG 28 7.393 10.162 -0.345 226 HH11 ARG 28 1HH1 ARG 28 7.728 11.955 -3.263 227 HH12 ARG 28 2HH1 ARG 28 8.963 12.984 -2.627 228 HH21 ARG 28 1HH2 ARG 28 9.008 11.455 0.463 229 HH22 ARG 28 2HH2 ARG 28 9.672 12.711 -0.522 230 H ASP 29 H ASP 29 3.860 6.082 -3.972 231 HA ASP 29 HA ASP 29 2.139 6.632 -6.097 232 HB2 ASP 29 2HB ASP 29 4.096 5.118 -6.237 233 HB3 ASP 29 1HB ASP 29 3.244 3.931 -5.256 234 H ILE 30 H ILE 30 1.722 4.302 -3.440 235 HA ILE 30 HA ILE 30 -0.817 3.351 -4.117 236 HB ILE 30 HB ILE 30 0.334 3.679 -1.337 237 HG12 ILE 30 2HG1 ILE 30 0.470 1.308 -3.226 238 HG13 ILE 30 1HG1 ILE 30 1.807 2.396 -2.867 239 HG21 ILE 30 1HG2 ILE 30 -1.885 1.897 -2.353 240 HG22 ILE 30 2HG2 ILE 30 -2.051 3.266 -1.255 241 HG23 ILE 30 3HG2 ILE 30 -1.183 1.821 -0.736 242 HD11 ILE 30 3HD1 ILE 30 0.423 0.592 -0.893 243 HD12 ILE 30 1HD1 ILE 30 1.765 1.677 -0.535 244 HD13 ILE 30 2HD1 ILE 30 2.000 0.315 -1.632 245 H ALA 31 H ALA 31 0.077 6.028 -1.944 246 HA ALA 31 HA ALA 31 -2.482 6.777 -1.117 247 HB1 ALA 31 3HB ALA 31 -1.497 8.916 -0.508 248 HB2 ALA 31 1HB ALA 31 -0.093 8.580 -1.523 249 HB3 ALA 31 2HB ALA 31 -0.400 7.597 -0.091 250 H ASP 32 H ASP 32 -0.562 8.093 -3.821 251 HA ASP 32 HA ASP 32 -2.514 9.954 -4.666 252 HB2 ASP 32 2HB ASP 32 -0.061 10.029 -5.210 253 HB3 ASP 32 1HB ASP 32 -0.328 8.715 -6.352 254 H ALA 33 H ALA 33 -1.788 6.642 -5.742 255 HA ALA 33 HA ALA 33 -3.608 6.593 -7.916 256 HB1 ALA 33 3HB ALA 33 -2.501 4.284 -6.313 257 HB2 ALA 33 1HB ALA 33 -1.753 5.018 -7.732 258 HB3 ALA 33 2HB ALA 33 -3.287 4.165 -7.885 259 H ALA 34 H ALA 34 -3.966 5.663 -4.507 260 HA ALA 34 HA ALA 34 -6.658 4.664 -4.874 261 HB1 ALA 34 3HB ALA 34 -5.173 3.692 -3.190 262 HB2 ALA 34 1HB ALA 34 -6.643 4.333 -2.456 263 HB3 ALA 34 2HB ALA 34 -5.129 5.231 -2.331 264 H GLY 35 H GLY 35 -5.243 7.734 -4.247 265 HA2 GLY 35 2HA GLY 35 -6.301 9.813 -4.174 266 HA3 GLY 35 1HA GLY 35 -7.853 8.994 -4.083 267 H LEU 36 H LEU 36 -5.144 8.385 -1.930 268 HA LEU 36 HA LEU 36 -6.698 9.536 0.309 269 HB2 LEU 36 2HB LEU 36 -4.942 7.076 0.394 270 HB3 LEU 36 1HB LEU 36 -5.868 7.734 1.730 271 HG LEU 36 HG LEU 36 -7.026 6.517 -0.787 272 HD11 LEU 36 1HD1 LEU 36 -6.022 4.832 0.629 273 HD12 LEU 36 2HD1 LEU 36 -7.780 4.722 0.719 274 HD13 LEU 36 3HD1 LEU 36 -6.874 5.466 2.038 275 HD21 LEU 36 3HD2 LEU 36 -8.407 7.558 1.692 276 HD22 LEU 36 1HD2 LEU 36 -9.186 6.695 0.365 277 HD23 LEU 36 2HD2 LEU 36 -8.465 8.277 0.083 278 H SER 37 H SER 37 -5.374 10.153 2.208 279 HA SER 37 HA SER 37 -2.961 11.537 1.379 280 HB2 SER 37 2HB SER 37 -4.390 11.445 4.052 281 HB3 SER 37 1HB SER 37 -2.976 12.443 3.713 282 HG SER 37 HG SER 37 -5.611 12.703 2.809 283 H ILE 38 H ILE 38 -0.901 11.346 2.424 284 HA ILE 38 HA ILE 38 0.147 8.794 2.499 285 HB ILE 38 HB ILE 38 1.202 11.287 3.851 286 HG12 ILE 38 2HG1 ILE 38 0.933 11.427 1.385 287 HG13 ILE 38 1HG1 ILE 38 2.618 11.510 1.879 288 HG21 ILE 38 1HG2 ILE 38 2.252 9.382 4.898 289 HG22 ILE 38 2HG2 ILE 38 3.411 10.161 3.824 290 HG23 ILE 38 3HG2 ILE 38 2.615 8.669 3.325 291 HD11 ILE 38 3HD1 ILE 38 1.219 9.094 0.755 292 HD12 ILE 38 1HD1 ILE 38 2.906 9.158 1.266 293 HD13 ILE 38 2HD1 ILE 38 2.359 10.139 -0.094 294 H TYR 39 H TYR 39 -0.867 10.753 5.303 295 HA TYR 39 HA TYR 39 -0.015 9.031 7.334 296 HB2 TYR 39 2HB TYR 39 -0.745 11.344 7.720 297 HB3 TYR 39 1HB TYR 39 -2.399 10.902 7.316 298 HD1 TYR 39 HD1 TYR 39 0.330 10.220 9.765 299 HD2 TYR 39 HD2 TYR 39 -3.863 10.139 9.000 300 HE1 TYR 39 HE1 TYR 39 -0.091 9.720 12.135 301 HE2 TYR 39 HE2 TYR 39 -4.286 9.636 11.368 302 HH TYR 39 HH TYR 39 -1.888 9.943 13.772 303 H GLN 40 H GLN 40 -3.263 9.238 5.851 304 HA GLN 40 HA GLN 40 -4.470 7.138 7.251 305 HB2 GLN 40 2HB GLN 40 -5.665 8.799 5.840 306 HB3 GLN 40 1HB GLN 40 -5.025 8.014 4.405 307 HG2 GLN 40 2HG GLN 40 -7.297 7.316 4.746 308 HG3 GLN 40 1HG GLN 40 -6.229 5.946 5.042 309 HE21 GLN 40 1HE2 GLN 40 -8.328 8.300 6.499 310 HE22 GLN 40 2HE2 GLN 40 -8.524 7.482 8.007 311 H VAL 41 H VAL 41 -2.770 7.100 4.136 312 HA VAL 41 HA VAL 41 -3.124 4.373 3.551 313 HB VAL 41 HB VAL 41 -0.851 6.190 2.709 314 HG11 VAL 41 1HG1 VAL 41 -0.610 4.646 0.798 315 HG12 VAL 41 2HG1 VAL 41 -1.818 3.580 1.521 316 HG13 VAL 41 3HG1 VAL 41 -0.280 3.855 2.339 317 HG21 VAL 41 3HG2 VAL 41 -3.042 7.094 2.115 318 HG22 VAL 41 1HG2 VAL 41 -3.483 5.565 1.357 319 HG23 VAL 41 2HG2 VAL 41 -2.185 6.545 0.679 320 H ARG 42 H ARG 42 -0.492 6.036 5.304 321 HA ARG 42 HA ARG 42 1.210 3.875 5.749 322 HB2 ARG 42 2HB ARG 42 0.587 6.279 7.464 323 HB3 ARG 42 1HB ARG 42 1.806 5.097 7.917 324 HG2 ARG 42 2HG ARG 42 3.056 5.584 5.873 325 HG3 ARG 42 1HG ARG 42 1.824 6.758 5.395 326 HD2 ARG 42 2HD ARG 42 3.814 7.806 6.437 327 HD3 ARG 42 1HD ARG 42 2.320 8.133 7.318 328 HE ARG 42 HE ARG 42 4.150 5.996 8.180 329 HH11 ARG 42 1HH1 ARG 42 2.447 8.917 8.827 330 HH12 ARG 42 2HH1 ARG 42 2.821 8.888 10.515 331 HH21 ARG 42 1HH2 ARG 42 4.621 5.963 10.338 332 HH22 ARG 42 2HH2 ARG 42 4.039 7.229 11.362 333 H LEU 43 H LEU 43 -1.698 4.828 7.533 334 HA LEU 43 HA LEU 43 -1.476 2.961 9.639 335 HB2 LEU 43 2HB LEU 43 -3.971 4.172 8.428 336 HB3 LEU 43 1HB LEU 43 -3.898 3.343 9.973 337 HG LEU 43 HG LEU 43 -2.488 5.935 9.296 338 HD11 LEU 43 1HD1 LEU 43 -4.903 6.215 9.500 339 HD12 LEU 43 2HD1 LEU 43 -4.064 6.959 10.861 340 HD13 LEU 43 3HD1 LEU 43 -4.879 5.407 11.068 341 HD21 LEU 43 3HD2 LEU 43 -1.954 6.011 11.702 342 HD22 LEU 43 1HD2 LEU 43 -1.192 4.639 10.892 343 HD23 LEU 43 2HD2 LEU 43 -2.626 4.389 11.888 344 H TYR 44 H TYR 44 -3.387 2.798 6.613 345 HA TYR 44 HA TYR 44 -4.333 0.176 6.947 346 HB2 TYR 44 2HB TYR 44 -3.845 1.827 4.468 347 HB3 TYR 44 1HB TYR 44 -4.508 0.198 4.389 348 HD1 TYR 44 HD1 TYR 44 -6.556 -0.164 6.126 349 HD2 TYR 44 HD2 TYR 44 -5.388 3.561 4.415 350 HE1 TYR 44 HE1 TYR 44 -8.825 0.710 6.489 351 HE2 TYR 44 HE2 TYR 44 -7.656 4.442 4.785 352 HH TYR 44 HH TYR 44 -9.924 2.933 6.769 353 H LEU 45 H LEU 45 -1.447 1.292 5.149 354 HA LEU 45 HA LEU 45 -0.567 -1.198 4.239 355 HB2 LEU 45 2HB LEU 45 1.072 1.230 4.988 356 HB3 LEU 45 1HB LEU 45 1.679 -0.140 4.074 357 HG LEU 45 HG LEU 45 -0.502 1.762 3.188 358 HD11 LEU 45 1HD1 LEU 45 1.119 2.466 1.493 359 HD12 LEU 45 2HD1 LEU 45 2.331 1.404 2.211 360 HD13 LEU 45 3HD1 LEU 45 1.704 2.776 3.129 361 HD21 LEU 45 3HD2 LEU 45 -0.915 -0.494 2.353 362 HD22 LEU 45 1HD2 LEU 45 0.736 -0.579 1.735 363 HD23 LEU 45 2HD2 LEU 45 -0.405 0.575 1.048 364 H GLU 46 H GLU 46 0.238 0.494 7.266 365 HA GLU 46 HA GLU 46 2.035 -1.385 8.315 366 HB2 GLU 46 2HB GLU 46 1.648 0.884 9.256 367 HB3 GLU 46 1HB GLU 46 0.078 0.352 9.845 368 HG2 GLU 46 2HG GLU 46 1.211 -1.328 11.258 369 HG3 GLU 46 1HG GLU 46 2.767 -0.711 10.706 370 H GLN 47 H GLN 47 -1.488 -1.099 8.846 371 HA GLN 47 HA GLN 47 -1.902 -3.387 10.375 372 HB2 GLN 47 2HB GLN 47 -3.708 -2.124 8.294 373 HB3 GLN 47 1HB GLN 47 -4.232 -3.342 9.450 374 HG2 GLN 47 2HG GLN 47 -3.806 -1.855 11.294 375 HG3 GLN 47 1HG GLN 47 -3.089 -0.659 10.216 376 HE21 GLN 47 1HE2 GLN 47 -4.552 0.928 10.842 377 HE22 GLN 47 2HE2 GLN 47 -6.210 0.902 10.351 378 H LEU 48 H LEU 48 -1.838 -3.046 6.835 379 HA LEU 48 HA LEU 48 -2.428 -5.702 6.172 380 HB2 LEU 48 2HB LEU 48 -0.782 -3.642 4.706 381 HB3 LEU 48 1HB LEU 48 -1.208 -5.201 4.022 382 HG LEU 48 HG LEU 48 -3.178 -3.066 4.866 383 HD11 LEU 48 1HD1 LEU 48 -3.603 -2.792 2.475 384 HD12 LEU 48 2HD1 LEU 48 -2.333 -3.960 2.107 385 HD13 LEU 48 3HD1 LEU 48 -1.924 -2.424 2.873 386 HD21 LEU 48 3HD2 LEU 48 -3.627 -5.726 3.499 387 HD22 LEU 48 1HD2 LEU 48 -4.854 -4.486 3.764 388 HD23 LEU 48 2HD2 LEU 48 -4.111 -5.295 5.141 389 H HIS 49 H HIS 49 0.617 -4.253 7.195 390 HA HIS 49 HA HIS 49 2.203 -6.562 6.597 391 HB2 HIS 49 2HB HIS 49 3.291 -4.404 6.875 392 HB3 HIS 49 1HB HIS 49 2.696 -4.277 8.526 393 HD1 HIS 49 HD1 HIS 49 4.708 -6.952 6.664 394 HD2 HIS 49 HD2 HIS 49 4.724 -4.804 10.224 395 HE1 HIS 49 HE1 HIS 49 6.721 -7.753 7.930 396 HE2 HIS 49 HE2 HIS 49 6.801 -6.323 9.990 397 H ASP 50 H ASP 50 0.610 -5.379 9.555 398 HA ASP 50 HA ASP 50 1.519 -7.521 11.199 399 HB2 ASP 50 2HB ASP 50 -0.752 -5.565 11.592 400 HB3 ASP 50 1HB ASP 50 -0.169 -6.678 12.828 401 H VAL 51 H VAL 51 -1.073 -7.346 8.926 402 HA VAL 51 HA VAL 51 -2.354 -9.724 10.083 403 HB VAL 51 HB VAL 51 -4.140 -9.424 8.450 404 HG11 VAL 51 1HG1 VAL 51 -3.448 -6.850 9.870 405 HG12 VAL 51 2HG1 VAL 51 -4.301 -8.229 10.568 406 HG13 VAL 51 3HG1 VAL 51 -5.046 -7.299 9.267 407 HG21 VAL 51 3HG2 VAL 51 -2.829 -8.555 6.581 408 HG22 VAL 51 1HG2 VAL 51 -2.561 -7.046 7.455 409 HG23 VAL 51 2HG2 VAL 51 -4.190 -7.493 6.939 410 H GLY 52 H GLY 52 0.228 -9.232 8.156 411 HA2 GLY 52 2HA GLY 52 1.492 -10.917 7.153 412 HA3 GLY 52 1HA GLY 52 0.097 -11.975 7.223 413 H VAL 53 H VAL 53 -0.028 -8.809 5.689 414 HA VAL 53 HA VAL 53 -0.316 -10.137 3.068 415 HB VAL 53 HB VAL 53 -1.189 -7.358 3.912 416 HG11 VAL 53 1HG1 VAL 53 -1.628 -8.809 1.297 417 HG12 VAL 53 2HG1 VAL 53 -0.586 -7.408 1.547 418 HG13 VAL 53 3HG1 VAL 53 -2.332 -7.253 1.740 419 HG21 VAL 53 3HG2 VAL 53 -3.455 -8.203 3.776 420 HG22 VAL 53 1HG2 VAL 53 -2.524 -9.186 4.905 421 HG23 VAL 53 2HG2 VAL 53 -2.869 -9.792 3.287 422 H LEU 54 H LEU 54 1.112 -7.158 4.467 423 HA LEU 54 HA LEU 54 2.846 -6.917 2.108 424 HB2 LEU 54 2HB LEU 54 2.214 -4.942 4.300 425 HB3 LEU 54 1HB LEU 54 3.326 -4.631 2.979 426 HG LEU 54 HG LEU 54 0.347 -5.107 2.753 427 HD11 LEU 54 1HD1 LEU 54 0.281 -2.803 1.958 428 HD12 LEU 54 2HD1 LEU 54 2.021 -2.654 2.209 429 HD13 LEU 54 3HD1 LEU 54 0.947 -2.894 3.588 430 HD21 LEU 54 3HD2 LEU 54 2.387 -4.647 0.569 431 HD22 LEU 54 1HD2 LEU 54 0.637 -4.635 0.348 432 HD23 LEU 54 2HD2 LEU 54 1.451 -6.118 0.841 433 H GLU 55 H GLU 55 5.062 -6.092 2.455 434 HA GLU 55 HA GLU 55 6.383 -7.402 4.743 435 HB2 GLU 55 2HB GLU 55 6.568 -8.764 2.684 436 HB3 GLU 55 1HB GLU 55 7.283 -7.395 1.848 437 HG2 GLU 55 2HG GLU 55 8.969 -9.014 2.508 438 HG3 GLU 55 1HG GLU 55 9.212 -7.469 3.324 439 H LYS 56 H LYS 56 8.412 -6.473 5.388 440 HA LYS 56 HA LYS 56 8.292 -3.589 5.295 441 HB2 LYS 56 2HB LYS 56 10.103 -3.712 6.985 442 HB3 LYS 56 1HB LYS 56 8.707 -4.694 7.411 443 HG2 LYS 56 2HG LYS 56 9.881 -6.702 6.636 444 HG3 LYS 56 1HG LYS 56 11.277 -5.719 6.200 445 HD2 LYS 56 2HD LYS 56 11.569 -5.083 8.552 446 HD3 LYS 56 1HD LYS 56 10.157 -6.048 8.992 447 HE2 LYS 56 2HE LYS 56 11.292 -8.072 8.181 448 HE3 LYS 56 1HE LYS 56 12.698 -7.105 7.740 449 HZ1 LYS 56 3HZ LYS 56 13.006 -6.541 10.059 450 HZ2 LYS 56 1HZ LYS 56 12.994 -8.220 9.861 451 HZ3 LYS 56 2HZ LYS 56 11.637 -7.437 10.492 452 H VAL 57 H VAL 57 9.441 -2.253 3.992 453 HA VAL 57 HA VAL 57 12.207 -2.998 3.325 454 HB VAL 57 HB VAL 57 10.351 -1.703 1.309 455 HG11 VAL 57 1HG1 VAL 57 13.211 -2.665 1.072 456 HG12 VAL 57 2HG1 VAL 57 12.659 -0.986 1.078 457 HG13 VAL 57 3HG1 VAL 57 12.223 -2.053 -0.257 458 HG21 VAL 57 3HG2 VAL 57 10.499 -3.796 0.041 459 HG22 VAL 57 1HG2 VAL 57 9.742 -4.051 1.613 460 HG23 VAL 57 2HG2 VAL 57 11.419 -4.530 1.355 461 H ASN 58 H ASN 58 13.445 -1.512 4.272 462 HA ASN 58 HA ASN 58 14.343 0.459 4.933 463 HB2 ASN 58 2HB ASN 58 14.445 0.858 2.539 464 HB3 ASN 58 1HB ASN 58 12.801 1.489 2.546 465 HD21 ASN 58 1HD2 ASN 58 12.421 3.534 3.368 466 HD22 ASN 58 2HD2 ASN 58 13.697 4.672 3.635 467 H ALA 59 H ALA 59 13.325 0.594 6.938 468 HA ALA 59 HA ALA 59 11.313 2.736 7.145 469 HB1 ALA 59 3HB ALA 59 11.180 0.099 8.612 470 HB2 ALA 59 1HB ALA 59 10.094 0.635 7.329 471 HB3 ALA 59 2HB ALA 59 10.111 1.475 8.881 472 H GLY 60 H GLY 60 11.324 3.896 9.147 473 HA2 GLY 60 2HA GLY 60 12.363 3.811 11.484 474 HA3 GLY 60 1HA GLY 60 13.882 3.668 10.614 475 H LYS 61 H LYS 61 14.863 5.500 9.843 476 HA LYS 61 HA LYS 61 13.632 8.030 10.712 477 HB2 LYS 61 2HB LYS 61 15.845 8.943 10.989 478 HB3 LYS 61 1HB LYS 61 15.757 7.410 11.837 479 HG2 LYS 61 2HG LYS 61 17.012 7.778 9.114 480 HG3 LYS 61 1HG LYS 61 17.902 7.810 10.633 481 HD2 LYS 61 2HD LYS 61 16.289 5.462 9.613 482 HD3 LYS 61 1HD LYS 61 18.038 5.624 9.478 483 HE2 LYS 61 2HE LYS 61 16.479 5.522 12.068 484 HE3 LYS 61 1HE LYS 61 17.376 4.180 11.361 485 HZ1 LYS 61 3HZ LYS 61 18.540 6.753 12.281 486 HZ2 LYS 61 1HZ LYS 61 19.406 5.480 11.586 487 HZ3 LYS 61 2HZ LYS 61 18.647 5.273 13.082 488 H GLY 62 H GLY 62 13.084 9.528 9.275 489 HA2 GLY 62 2HA GLY 62 12.763 10.613 7.281 490 HA3 GLY 62 1HA GLY 62 14.476 10.336 7.018 491 H VAL 63 H VAL 63 11.633 8.169 7.085 492 HA VAL 63 HA VAL 63 12.517 7.097 4.478 493 HB VAL 63 HB VAL 63 11.562 4.924 5.139 494 HG11 VAL 63 1HG1 VAL 63 13.286 4.288 6.748 495 HG12 VAL 63 2HG1 VAL 63 13.567 5.984 7.137 496 HG13 VAL 63 3HG1 VAL 63 13.941 5.375 5.525 497 HG21 VAL 63 3HG2 VAL 63 11.114 6.208 7.844 498 HG22 VAL 63 1HG2 VAL 63 10.884 4.503 7.460 499 HG23 VAL 63 2HG2 VAL 63 9.852 5.723 6.711 500 HA PRO 64 HA PRO 64 8.349 8.066 3.086 501 HB2 PRO 64 2HB PRO 64 8.509 7.098 0.599 502 HB3 PRO 64 1HB PRO 64 9.475 8.495 1.088 503 HG2 PRO 64 2HG PRO 64 10.298 5.620 0.844 504 HG3 PRO 64 1HG PRO 64 11.157 7.076 0.304 505 HD2 PRO 64 2HD PRO 64 11.694 5.747 2.664 506 HD3 PRO 64 1HD PRO 64 12.046 7.464 2.390 507 H GLY 65 H GLY 65 9.496 5.003 3.834 508 HA2 GLY 65 2HA GLY 65 8.401 3.038 4.344 509 HA3 GLY 65 1HA GLY 65 6.886 3.837 3.955 510 H LEU 66 H LEU 66 9.280 1.614 2.886 511 HA LEU 66 HA LEU 66 8.005 1.439 0.227 512 HB2 LEU 66 2HB LEU 66 10.627 0.229 1.123 513 HB3 LEU 66 1HB LEU 66 9.993 0.262 -0.511 514 HG LEU 66 HG LEU 66 10.903 2.662 1.086 515 HD11 LEU 66 1HD1 LEU 66 12.751 1.266 0.319 516 HD12 LEU 66 2HD1 LEU 66 12.704 2.794 -0.556 517 HD13 LEU 66 3HD1 LEU 66 12.122 1.320 -1.328 518 HD21 LEU 66 3HD2 LEU 66 9.835 2.483 -1.731 519 HD22 LEU 66 1HD2 LEU 66 10.563 3.916 -1.004 520 HD23 LEU 66 2HD2 LEU 66 9.056 3.268 -0.357 521 H TRP 67 H TRP 67 6.930 -0.418 -0.362 522 HA TRP 67 HA TRP 67 6.729 -2.505 1.720 523 HB2 TRP 67 2HB TRP 67 4.415 -1.368 0.131 524 HB3 TRP 67 1HB TRP 67 4.322 -2.569 1.419 525 HD1 TRP 67 HD1 TRP 67 4.808 1.182 0.848 526 HE1 TRP 67 HE1 TRP 67 4.513 2.414 3.083 527 HE3 TRP 67 HE3 TRP 67 4.539 -2.866 3.974 528 HZ2 TRP 67 HZ2 TRP 67 4.196 1.758 5.815 529 HZ3 TRP 67 HZ3 TRP 67 4.234 -2.474 6.383 530 HH2 TRP 67 HH2 TRP 67 4.067 -0.208 7.286 531 H ARG 68 H ARG 68 6.808 -4.548 1.095 532 HA ARG 68 HA ARG 68 6.275 -5.256 -1.734 533 HB2 ARG 68 2HB ARG 68 7.981 -6.612 0.369 534 HB3 ARG 68 1HB ARG 68 7.534 -7.394 -1.141 535 HG2 ARG 68 2HG ARG 68 8.773 -5.823 -2.425 536 HG3 ARG 68 1HG ARG 68 9.006 -4.767 -1.030 537 HD2 ARG 68 2HD ARG 68 11.024 -6.091 -1.619 538 HD3 ARG 68 1HD ARG 68 10.449 -6.379 0.023 539 HE ARG 68 HE ARG 68 9.552 -8.252 -2.017 540 HH11 ARG 68 1HH1 ARG 68 11.742 -7.563 0.557 541 HH12 ARG 68 2HH1 ARG 68 12.193 -9.215 0.752 542 HH21 ARG 68 1HH2 ARG 68 10.137 -10.367 -1.740 543 HH22 ARG 68 2HH2 ARG 68 11.314 -10.783 -0.542 544 H LEU 69 H LEU 69 5.399 -7.705 -1.802 545 HA LEU 69 HA LEU 69 3.539 -8.075 0.458 546 HB2 LEU 69 2HB LEU 69 1.836 -8.955 -1.147 547 HB3 LEU 69 1HB LEU 69 2.140 -7.235 -1.236 548 HG LEU 69 HG LEU 69 3.658 -7.779 -3.239 549 HD11 LEU 69 1HD1 LEU 69 3.069 -9.826 -4.473 550 HD12 LEU 69 2HD1 LEU 69 2.119 -10.370 -3.092 551 HD13 LEU 69 3HD1 LEU 69 3.864 -10.172 -2.938 552 HD21 LEU 69 3HD2 LEU 69 1.767 -7.757 -4.773 553 HD22 LEU 69 1HD2 LEU 69 1.488 -6.667 -3.415 554 HD23 LEU 69 2HD2 LEU 69 0.683 -8.237 -3.465 555 H LEU 70 H LEU 70 3.008 -10.173 1.072 556 HA LEU 70 HA LEU 70 4.511 -12.338 -0.269 557 HB2 LEU 70 2HB LEU 70 4.669 -13.506 1.880 558 HB3 LEU 70 1HB LEU 70 5.495 -11.963 1.908 559 HG LEU 70 HG LEU 70 2.702 -12.198 3.010 560 HD11 LEU 70 1HD1 LEU 70 5.251 -12.800 4.515 561 HD12 LEU 70 2HD1 LEU 70 4.012 -13.975 4.077 562 HD13 LEU 70 3HD1 LEU 70 3.635 -12.681 5.213 563 HD21 LEU 70 3HD2 LEU 70 5.046 -10.403 3.678 564 HD22 LEU 70 1HD2 LEU 70 3.447 -10.336 4.419 565 HD23 LEU 70 2HD2 LEU 70 3.642 -9.954 2.712 566 H GLU 71 H GLU 71 1.506 -11.102 0.408 567 HA GLU 71 HA GLU 71 -0.597 -11.793 -0.061 568 HB2 GLU 71 2HB GLU 71 0.763 -14.257 -1.169 569 HB3 GLU 71 1HB GLU 71 -0.934 -13.852 -1.396 570 HG2 GLU 71 2HG GLU 71 -0.252 -11.772 -2.540 571 HG3 GLU 71 1HG GLU 71 1.434 -12.264 -2.379 Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 HA MET 1 HA MET 1 -15.668 -7.574 4.233 2 H1 MET 1 1H MET 1 -17.143 -9.436 4.274 3 H2 MET 1 2H MET 1 -18.371 -8.551 3.517 4 H3 MET 1 3H MET 1 -17.871 -8.137 5.079 5 HB2 MET 1 2HB MET 1 -16.973 -7.999 1.530 6 HB3 MET 1 1HB MET 1 -15.367 -7.337 1.797 7 HG2 MET 1 2HG MET 1 -16.295 -10.136 2.417 8 HG3 MET 1 1HG MET 1 -15.188 -9.637 1.138 9 HE1 MET 1 3HE MET 1 -12.787 -11.572 3.532 10 HE2 MET 1 1HE MET 1 -13.351 -11.384 1.871 11 HE3 MET 1 2HE MET 1 -14.450 -11.979 3.116 12 H SER 2 H SER 2 -15.262 -5.382 3.909 13 HA SER 2 HA SER 2 -17.350 -3.576 3.007 14 HG SER 2 HG SER 2 -18.643 -4.549 4.652 15 HB2 SER 2 2HB SER 2 -16.443 -3.515 5.901 16 HB3 SER 2 1HB SER 2 -17.425 -2.276 5.124 17 H GLU 3 H GLU 3 -14.143 -4.218 4.062 18 HA GLU 3 HA GLU 3 -12.861 -1.826 4.198 19 HB2 GLU 3 2HB GLU 3 -10.831 -2.977 3.472 20 HB3 GLU 3 1HB GLU 3 -11.762 -3.972 4.577 21 HG2 GLU 3 2HG GLU 3 -11.573 -4.293 1.581 22 HG3 GLU 3 1HG GLU 3 -10.862 -5.340 2.808 23 H SER 4 H SER 4 -13.564 -3.557 1.148 24 HA SER 4 HA SER 4 -13.520 -2.914 -1.036 25 HG SER 4 HG SER 4 -15.427 0.044 -1.843 26 HB2 SER 4 2HB SER 4 -15.546 -1.782 -0.310 27 HB3 SER 4 1HB SER 4 -14.613 -0.370 0.185 28 H ILE 5 H ILE 5 -12.768 0.345 0.225 29 HA ILE 5 HA ILE 5 -10.942 1.012 -1.766 30 HB ILE 5 HB ILE 5 -11.944 2.694 -0.314 31 HG12 ILE 5 2HG1 ILE 5 -9.917 4.072 0.176 32 HG13 ILE 5 1HG1 ILE 5 -8.916 2.659 -0.141 33 HG21 ILE 5 1HG2 ILE 5 -11.959 1.480 1.789 34 HG22 ILE 5 2HG2 ILE 5 -11.168 3.043 1.993 35 HG23 ILE 5 3HG2 ILE 5 -10.199 1.575 1.884 36 HD11 ILE 5 3HD1 ILE 5 -8.984 4.181 -2.043 37 HD12 ILE 5 1HD1 ILE 5 -10.736 3.999 -2.133 38 HD13 ILE 5 2HD1 ILE 5 -9.687 2.615 -2.447 39 H VAL 6 H VAL 6 -10.380 -0.620 1.322 40 HA VAL 6 HA VAL 6 -7.556 -0.614 1.264 41 HB VAL 6 HB VAL 6 -9.382 -2.704 2.484 42 HG11 VAL 6 1HG1 VAL 6 -7.486 -3.148 4.007 43 HG12 VAL 6 2HG1 VAL 6 -6.492 -2.034 3.067 44 HG13 VAL 6 3HG1 VAL 6 -7.102 -3.511 2.324 45 HG21 VAL 6 3HG2 VAL 6 -9.929 -0.468 3.292 46 HG22 VAL 6 1HG2 VAL 6 -8.238 -0.183 3.707 47 HG23 VAL 6 2HG2 VAL 6 -9.164 -1.416 4.566 48 H THR 7 H THR 7 -9.928 -2.952 -0.018 49 HA THR 7 HA THR 7 -8.111 -4.827 -1.070 50 HB THR 7 HB THR 7 -10.863 -4.081 -2.120 51 HG1 THR 7 HG1 THR 7 -11.510 -5.893 -0.849 52 HG21 THR 7 3HG2 THR 7 -9.196 -6.564 -2.611 53 HG22 THR 7 1HG2 THR 7 -9.587 -5.322 -3.802 54 HG23 THR 7 2HG2 THR 7 -10.866 -6.332 -3.130 55 H LYS 8 H LYS 8 -9.529 -1.893 -2.506 56 HA LYS 8 HA LYS 8 -8.326 -1.983 -5.029 57 HB2 LYS 8 2HB LYS 8 -10.034 -0.327 -4.435 58 HB3 LYS 8 1HB LYS 8 -8.933 0.428 -3.292 59 HG2 LYS 8 2HG LYS 8 -7.429 0.994 -5.192 60 HG3 LYS 8 1HG LYS 8 -8.652 0.354 -6.295 61 HD2 LYS 8 2HD LYS 8 -10.261 2.005 -5.489 62 HD3 LYS 8 1HD LYS 8 -9.073 2.624 -4.340 63 HE2 LYS 8 2HE LYS 8 -9.153 4.087 -6.254 64 HE3 LYS 8 1HE LYS 8 -7.610 3.233 -6.251 65 HZ1 LYS 8 3HZ LYS 8 -8.537 1.691 -7.889 66 HZ2 LYS 8 1HZ LYS 8 -8.536 3.282 -8.454 67 HZ3 LYS 8 2HZ LYS 8 -9.975 2.575 -7.920 68 H ILE 9 H ILE 9 -7.104 -0.581 -1.987 69 HA ILE 9 HA ILE 9 -4.616 0.316 -2.845 70 HB ILE 9 HB ILE 9 -5.419 -0.822 -0.159 71 HG12 ILE 9 2HG1 ILE 9 -5.130 2.037 -1.134 72 HG13 ILE 9 1HG1 ILE 9 -6.649 1.197 -0.851 73 HG21 ILE 9 1HG2 ILE 9 -3.426 0.292 0.760 74 HG22 ILE 9 2HG2 ILE 9 -2.917 0.715 -0.875 75 HG23 ILE 9 3HG2 ILE 9 -3.000 -0.977 -0.388 76 HD11 ILE 9 3HD1 ILE 9 -4.596 1.881 1.239 77 HD12 ILE 9 1HD1 ILE 9 -6.119 1.036 1.525 78 HD13 ILE 9 2HD1 ILE 9 -6.128 2.710 0.968 79 H ILE 10 H ILE 10 -5.448 -2.903 -1.523 80 HA ILE 10 HA ILE 10 -2.930 -4.098 -1.724 81 HB ILE 10 HB ILE 10 -5.641 -5.410 -2.072 82 HG12 ILE 10 2HG1 ILE 10 -3.893 -5.092 0.395 83 HG13 ILE 10 1HG1 ILE 10 -5.380 -4.207 0.076 84 HG21 ILE 10 1HG2 ILE 10 -2.957 -6.651 -1.434 85 HG22 ILE 10 2HG2 ILE 10 -3.864 -6.843 -2.934 86 HG23 ILE 10 3HG2 ILE 10 -4.505 -7.500 -1.428 87 HD11 ILE 10 3HD1 ILE 10 -5.140 -7.178 0.495 88 HD12 ILE 10 1HD1 ILE 10 -6.635 -6.305 0.152 89 HD13 ILE 10 2HD1 ILE 10 -5.757 -5.998 1.652 90 H SER 11 H SER 11 -5.556 -3.977 -4.126 91 HA SER 11 HA SER 11 -4.331 -5.383 -6.211 92 HG SER 11 HG SER 11 -5.117 -4.613 -8.347 93 HB2 SER 11 2HB SER 11 -6.680 -4.757 -6.322 94 HB3 SER 11 1HB SER 11 -6.262 -3.047 -6.340 95 H ILE 12 H ILE 12 -4.213 -1.905 -5.473 96 HA ILE 12 HA ILE 12 -2.536 -1.085 -7.564 97 HB ILE 12 HB ILE 12 -2.785 0.037 -4.759 98 HG12 ILE 12 2HG1 ILE 12 -4.059 0.999 -7.340 99 HG13 ILE 12 1HG1 ILE 12 -4.877 -0.030 -6.167 100 HG21 ILE 12 1HG2 ILE 12 -0.699 0.785 -5.759 101 HG22 ILE 12 2HG2 ILE 12 -1.849 2.119 -5.692 102 HG23 ILE 12 3HG2 ILE 12 -1.551 1.289 -7.220 103 HD11 ILE 12 3HD1 ILE 12 -4.660 1.723 -4.482 104 HD12 ILE 12 1HD1 ILE 12 -5.526 2.291 -5.908 105 HD13 ILE 12 2HD1 ILE 12 -3.842 2.754 -5.659 106 H VAL 13 H VAL 13 -1.709 -2.211 -4.285 107 HA VAL 13 HA VAL 13 1.065 -1.914 -4.431 108 HB VAL 13 HB VAL 13 -0.528 -3.996 -2.911 109 HG11 VAL 13 1HG1 VAL 13 2.355 -3.151 -2.551 110 HG12 VAL 13 2HG1 VAL 13 1.795 -4.719 -3.135 111 HG13 VAL 13 3HG1 VAL 13 1.457 -4.226 -1.476 112 HG21 VAL 13 3HG2 VAL 13 -1.099 -1.697 -2.307 113 HG22 VAL 13 1HG2 VAL 13 0.604 -1.332 -2.035 114 HG23 VAL 13 2HG2 VAL 13 -0.227 -2.491 -0.996 115 H GLN 14 H GLN 14 -0.896 -4.814 -5.238 116 HA GLN 14 HA GLN 14 1.263 -6.418 -6.084 117 HB2 GLN 14 2HB GLN 14 -0.895 -7.414 -5.623 118 HB3 GLN 14 1HB GLN 14 -1.654 -6.470 -6.901 119 HG2 GLN 14 2HG GLN 14 -0.345 -7.667 -8.581 120 HG3 GLN 14 1HG GLN 14 0.457 -8.589 -7.312 121 HE21 GLN 14 1HE2 GLN 14 -2.959 -7.799 -7.215 122 HE22 GLN 14 2HE2 GLN 14 -3.518 -9.412 -7.465 123 H GLU 15 H GLU 15 -0.967 -4.399 -8.001 124 HA GLU 15 HA GLU 15 0.159 -5.071 -10.503 125 HB2 GLU 15 2HB GLU 15 -2.148 -4.126 -10.059 126 HB3 GLU 15 1HB GLU 15 -1.388 -2.551 -9.881 127 HG2 GLU 15 2HG GLU 15 -0.618 -2.599 -12.158 128 HG3 GLU 15 1HG GLU 15 -1.179 -4.261 -12.353 129 H ARG 16 H ARG 16 0.916 -2.487 -8.209 130 HA ARG 16 HA ARG 16 2.592 -1.000 -9.938 131 HE ARG 16 HE ARG 16 4.439 0.613 -9.282 132 HB2 ARG 16 2HB ARG 16 2.202 -1.105 -6.990 133 HB3 ARG 16 1HB ARG 16 3.702 -0.395 -7.574 134 HG2 ARG 16 2HG ARG 16 0.896 0.496 -8.216 135 HG3 ARG 16 1HG ARG 16 2.098 1.348 -7.245 136 HD2 ARG 16 2HD ARG 16 2.121 0.850 -10.218 137 HD3 ARG 16 1HD ARG 16 2.081 2.396 -9.375 138 HH11 ARG 16 1HH1 ARG 16 3.036 3.728 -9.594 139 HH12 ARG 16 2HH1 ARG 16 4.542 4.506 -9.902 140 HH21 ARG 16 1HH2 ARG 16 6.378 1.604 -9.663 141 HH22 ARG 16 2HH2 ARG 16 6.421 3.313 -9.950 142 H GLN 17 H GLN 17 3.620 -3.222 -7.293 143 HA GLN 17 HA GLN 17 6.317 -3.300 -8.037 144 HB2 GLN 17 2HB GLN 17 6.499 -5.317 -6.672 145 HB3 GLN 17 1HB GLN 17 5.489 -4.121 -5.873 146 HG2 GLN 17 2HG GLN 17 3.493 -5.374 -6.793 147 HG3 GLN 17 1HG GLN 17 4.621 -6.647 -7.257 148 HE21 GLN 17 1HE2 GLN 17 3.102 -4.999 -4.615 149 HE22 GLN 17 2HE2 GLN 17 3.514 -6.150 -3.400 150 H ASN 18 H ASN 18 3.570 -4.941 -9.374 151 HA ASN 18 HA ASN 18 4.871 -6.863 -10.978 152 HB2 ASN 18 2HB ASN 18 2.404 -6.718 -10.522 153 HB3 ASN 18 1HB ASN 18 2.324 -5.341 -11.613 154 HD21 ASN 18 1HD2 ASN 18 2.677 -8.754 -11.339 155 HD22 ASN 18 2HD2 ASN 18 2.482 -9.112 -13.013 156 H MET 19 H MET 19 4.069 -3.443 -11.539 157 HA MET 19 HA MET 19 5.247 -3.406 -14.188 158 HB2 MET 19 2HB MET 19 4.255 -1.143 -12.437 159 HB3 MET 19 1HB MET 19 4.778 -0.970 -14.107 160 HG2 MET 19 2HG MET 19 2.969 -2.466 -14.818 161 HG3 MET 19 1HG MET 19 2.432 -2.591 -13.143 162 HE1 MET 19 3HE MET 19 -0.371 -0.373 -14.730 163 HE2 MET 19 1HE MET 19 -0.019 -1.811 -13.771 164 HE3 MET 19 2HE MET 19 0.465 -1.740 -15.465 165 H ASP 20 H ASP 20 6.275 -2.635 -10.927 166 HA ASP 20 HA ASP 20 8.660 -1.235 -11.716 167 HB2 ASP 20 2HB ASP 20 7.691 -2.347 -9.082 168 HB3 ASP 20 1HB ASP 20 9.274 -1.598 -9.257 169 H ASP 21 H ASP 21 7.758 -4.476 -11.641 170 HA ASP 21 HA ASP 21 8.814 -6.387 -12.201 171 HB2 ASP 21 2HB ASP 21 11.138 -4.583 -12.905 172 HB3 ASP 21 1HB ASP 21 10.955 -6.264 -13.400 173 H GLY 22 H GLY 22 11.652 -4.608 -10.940 174 HA2 GLY 22 2HA GLY 22 12.090 -6.871 -9.084 175 HA3 GLY 22 1HA GLY 22 13.347 -5.812 -9.700 176 H ALA 23 H ALA 23 11.133 -3.620 -9.083 177 HA ALA 23 HA ALA 23 12.131 -3.167 -6.355 178 HB1 ALA 23 3HB ALA 23 12.677 -1.446 -7.998 179 HB2 ALA 23 1HB ALA 23 11.623 -0.809 -6.735 180 HB3 ALA 23 2HB ALA 23 10.962 -1.201 -8.324 181 HA PRO 24 HA PRO 24 7.982 -3.680 -4.718 182 HB2 PRO 24 2HB PRO 24 8.341 -2.442 -2.320 183 HB3 PRO 24 1HB PRO 24 8.955 -4.062 -2.675 184 HG2 PRO 24 2HG PRO 24 10.396 -1.440 -2.701 185 HG3 PRO 24 1HG PRO 24 10.937 -3.007 -2.075 186 HD2 PRO 24 2HD PRO 24 11.728 -2.023 -4.481 187 HD3 PRO 24 1HD PRO 24 11.565 -3.760 -4.158 188 H VAL 25 H VAL 25 6.419 -2.122 -3.337 189 HA VAL 25 HA VAL 25 5.916 0.109 -5.145 190 HB VAL 25 HB VAL 25 4.161 -0.822 -2.867 191 HG11 VAL 25 1HG1 VAL 25 3.538 0.694 -5.407 192 HG12 VAL 25 2HG1 VAL 25 3.599 1.373 -3.781 193 HG13 VAL 25 3HG1 VAL 25 2.361 0.187 -4.196 194 HG21 VAL 25 3HG2 VAL 25 4.646 -2.725 -4.310 195 HG22 VAL 25 1HG2 VAL 25 4.184 -1.785 -5.731 196 HG23 VAL 25 2HG2 VAL 25 2.976 -2.199 -4.514 197 H LYS 26 H LYS 26 5.410 2.245 -4.410 198 HA LYS 26 HA LYS 26 7.024 3.027 -2.082 199 HB2 LYS 26 2HB LYS 26 5.978 4.649 -4.420 200 HB3 LYS 26 1HB LYS 26 6.916 5.313 -3.092 201 HG2 LYS 26 2HG LYS 26 8.377 4.995 -4.956 202 HG3 LYS 26 1HG LYS 26 8.793 3.804 -3.726 203 HD2 LYS 26 2HD LYS 26 7.502 2.100 -4.978 204 HD3 LYS 26 1HD LYS 26 7.148 3.304 -6.219 205 HE2 LYS 26 2HE LYS 26 9.498 3.506 -6.752 206 HE3 LYS 26 1HE LYS 26 9.928 2.430 -5.426 207 HZ1 LYS 26 3HZ LYS 26 9.974 1.276 -7.535 208 HZ2 LYS 26 1HZ LYS 26 8.358 1.673 -7.837 209 HZ3 LYS 26 2HZ LYS 26 8.748 0.638 -6.558 210 H THR 27 H THR 27 6.130 3.918 -0.274 211 HA THR 27 HA THR 27 3.483 3.772 0.419 212 HB THR 27 HB THR 27 5.425 5.877 1.417 213 HG1 THR 27 HG1 THR 27 6.335 4.263 2.424 214 HG21 THR 27 3HG2 THR 27 3.119 6.422 2.045 215 HG22 THR 27 1HG2 THR 27 4.041 5.897 3.453 216 HG23 THR 27 2HG2 THR 27 2.899 4.793 2.685 217 H ARG 28 H ARG 28 5.090 6.687 -0.893 218 HA ARG 28 HA ARG 28 2.844 8.353 -1.000 219 HE ARG 28 HE ARG 28 4.555 11.053 -3.356 220 HB2 ARG 28 2HB ARG 28 5.386 8.249 -2.592 221 HB3 ARG 28 1HB ARG 28 4.118 9.381 -3.038 222 HG2 ARG 28 2HG ARG 28 4.231 10.323 -0.739 223 HG3 ARG 28 1HG ARG 28 5.616 9.269 -0.425 224 HD2 ARG 28 2HD ARG 28 6.194 11.625 -1.124 225 HD3 ARG 28 1HD ARG 28 6.925 10.352 -2.102 226 HH11 ARG 28 1HH1 ARG 28 7.493 12.645 -2.519 227 HH12 ARG 28 2HH1 ARG 28 7.455 13.661 -3.919 228 HH21 ARG 28 1HH2 ARG 28 4.528 12.370 -5.133 229 HH22 ARG 28 2HH2 ARG 28 5.800 13.519 -5.362 230 H ASP 29 H ASP 29 4.193 6.303 -3.589 231 HA ASP 29 HA ASP 29 2.478 7.007 -5.626 232 HB2 ASP 29 2HB ASP 29 4.548 5.589 -5.796 233 HB3 ASP 29 1HB ASP 29 3.595 4.227 -5.210 234 H ILE 30 H ILE 30 1.989 4.498 -3.160 235 HA ILE 30 HA ILE 30 -0.444 3.451 -4.085 236 HB ILE 30 HB ILE 30 0.424 3.787 -1.198 237 HG12 ILE 30 2HG1 ILE 30 0.843 1.455 -3.096 238 HG13 ILE 30 1HG1 ILE 30 2.089 2.592 -2.599 239 HG21 ILE 30 1HG2 ILE 30 -1.582 1.897 -2.449 240 HG22 ILE 30 2HG2 ILE 30 -1.950 3.261 -1.393 241 HG23 ILE 30 3HG2 ILE 30 -1.065 1.873 -0.763 242 HD11 ILE 30 3HD1 ILE 30 0.610 0.689 -0.795 243 HD12 ILE 30 1HD1 ILE 30 1.849 1.838 -0.286 244 HD13 ILE 30 2HD1 ILE 30 2.266 0.515 -1.374 245 H ALA 31 H ALA 31 0.212 6.253 -2.001 246 HA ALA 31 HA ALA 31 -2.504 6.950 -1.520 247 HB1 ALA 31 3HB ALA 31 -0.674 7.737 -0.100 248 HB2 ALA 31 1HB ALA 31 -1.606 9.088 -0.743 249 HB3 ALA 31 2HB ALA 31 -0.035 8.691 -1.440 250 H ASP 32 H ASP 32 -0.148 7.938 -3.995 251 HA ASP 32 HA ASP 32 -1.694 9.906 -5.278 252 HB2 ASP 32 2HB ASP 32 0.434 8.040 -6.346 253 HB3 ASP 32 1HB ASP 32 -0.280 9.335 -7.302 254 H ALA 33 H ALA 33 -1.290 6.472 -6.177 255 HA ALA 33 HA ALA 33 -3.144 6.439 -8.275 256 HB1 ALA 33 3HB ALA 33 -2.354 4.141 -6.485 257 HB2 ALA 33 1HB ALA 33 -1.460 4.694 -7.901 258 HB3 ALA 33 2HB ALA 33 -3.078 4.016 -8.089 259 H ALA 34 H ALA 34 -3.616 5.605 -4.837 260 HA ALA 34 HA ALA 34 -6.402 4.980 -5.159 261 HB1 ALA 34 3HB ALA 34 -5.047 3.975 -3.383 262 HB2 ALA 34 1HB ALA 34 -6.447 4.821 -2.726 263 HB3 ALA 34 2HB ALA 34 -4.847 5.559 -2.635 264 H GLY 35 H GLY 35 -4.641 7.921 -4.626 265 HA2 GLY 35 2HA GLY 35 -5.375 10.110 -4.551 266 HA3 GLY 35 1HA GLY 35 -7.018 9.531 -4.774 267 H LEU 36 H LEU 36 -4.645 8.868 -2.208 268 HA LEU 36 HA LEU 36 -6.544 9.990 -0.236 269 HG LEU 36 HG LEU 36 -6.897 7.034 -1.326 270 HB2 LEU 36 2HB LEU 36 -4.901 7.465 0.063 271 HB3 LEU 36 1HB LEU 36 -5.920 8.166 1.306 272 HD11 LEU 36 1HD1 LEU 36 -7.855 5.241 0.036 273 HD12 LEU 36 2HD1 LEU 36 -7.110 5.927 1.479 274 HD13 LEU 36 3HD1 LEU 36 -6.097 5.288 0.183 275 HD21 LEU 36 3HD2 LEU 36 -8.305 8.867 -0.542 276 HD22 LEU 36 1HD2 LEU 36 -8.445 8.099 1.040 277 HD23 LEU 36 2HD2 LEU 36 -9.138 7.322 -0.383 278 H SER 37 H SER 37 -5.355 10.072 2.018 279 HA SER 37 HA SER 37 -2.956 11.689 1.679 280 HG SER 37 HG SER 37 -2.982 13.185 4.335 281 HB2 SER 37 2HB SER 37 -4.627 12.535 3.217 282 HB3 SER 37 1HB SER 37 -4.608 11.027 4.133 283 H ILE 38 H ILE 38 -0.960 11.291 2.690 284 HA ILE 38 HA ILE 38 0.025 8.690 2.484 285 HB ILE 38 HB ILE 38 1.210 10.965 4.097 286 HG12 ILE 38 2HG1 ILE 38 0.836 11.580 1.747 287 HG13 ILE 38 1HG1 ILE 38 2.556 11.428 2.086 288 HG21 ILE 38 1HG2 ILE 38 2.204 8.826 4.711 289 HG22 ILE 38 2HG2 ILE 38 3.358 9.812 3.815 290 HG23 ILE 38 3HG2 ILE 38 2.534 8.472 3.014 291 HD11 ILE 38 3HD1 ILE 38 2.583 9.245 1.017 292 HD12 ILE 38 1HD1 ILE 38 1.962 10.482 -0.076 293 HD13 ILE 38 2HD1 ILE 38 0.850 9.363 0.712 294 H TYR 39 H TYR 39 -0.950 10.464 5.421 295 HA TYR 39 HA TYR 39 -0.134 8.513 7.276 296 HD1 TYR 39 HD1 TYR 39 0.464 9.360 9.667 297 HD2 TYR 39 HD2 TYR 39 -3.771 9.702 9.323 298 HE1 TYR 39 HE1 TYR 39 0.216 8.583 11.986 299 HE2 TYR 39 HE2 TYR 39 -4.022 8.929 11.644 300 HH TYR 39 HH TYR 39 -2.752 7.598 13.290 301 HB2 TYR 39 2HB TYR 39 -0.725 10.843 7.880 302 HB3 TYR 39 1HB TYR 39 -2.420 10.480 7.569 303 H GLN 40 H GLN 40 -3.429 9.090 5.974 304 HA GLN 40 HA GLN 40 -4.754 6.952 7.120 305 HB2 GLN 40 2HB GLN 40 -5.854 8.712 5.775 306 HB3 GLN 40 1HB GLN 40 -5.138 8.043 4.316 307 HG2 GLN 40 2HG GLN 40 -7.394 7.318 4.397 308 HG3 GLN 40 1HG GLN 40 -6.383 5.922 4.771 309 HE21 GLN 40 1HE2 GLN 40 -8.740 8.143 5.969 310 HE22 GLN 40 2HE2 GLN 40 -9.038 7.337 7.469 311 H VAL 41 H VAL 41 -2.985 6.977 4.037 312 HA VAL 41 HA VAL 41 -3.467 4.319 3.294 313 HB VAL 41 HB VAL 41 -1.126 6.108 2.599 314 HG11 VAL 41 1HG1 VAL 41 -0.793 4.616 0.659 315 HG12 VAL 41 2HG1 VAL 41 -2.013 3.519 1.310 316 HG13 VAL 41 3HG1 VAL 41 -0.511 3.793 2.194 317 HG21 VAL 41 3HG2 VAL 41 -3.318 6.993 1.939 318 HG22 VAL 41 1HG2 VAL 41 -3.669 5.491 1.084 319 HG23 VAL 41 2HG2 VAL 41 -2.357 6.533 0.533 320 H ARG 42 H ARG 42 -0.600 5.683 4.988 321 HA ARG 42 HA ARG 42 0.786 3.241 5.190 322 HE ARG 42 HE ARG 42 3.538 5.001 8.205 323 HB2 ARG 42 2HB ARG 42 2.222 4.292 6.803 324 HB3 ARG 42 1HB ARG 42 1.819 5.483 5.574 325 HG2 ARG 42 2HG ARG 42 0.317 6.608 7.034 326 HG3 ARG 42 1HG ARG 42 0.385 5.303 8.218 327 HD2 ARG 42 2HD ARG 42 2.668 7.128 7.448 328 HD3 ARG 42 1HD ARG 42 1.727 7.212 8.939 329 HH11 ARG 42 1HH1 ARG 42 1.970 6.922 10.600 330 HH12 ARG 42 2HH1 ARG 42 2.714 6.077 11.909 331 HH21 ARG 42 1HH2 ARG 42 4.485 3.948 9.896 332 HH22 ARG 42 2HH2 ARG 42 4.114 4.422 11.520 333 H LEU 43 H LEU 43 -1.815 4.562 7.136 334 HA LEU 43 HA LEU 43 -1.602 2.850 9.370 335 HG LEU 43 HG LEU 43 -2.561 5.799 9.003 336 HB2 LEU 43 2HB LEU 43 -4.053 4.080 8.093 337 HB3 LEU 43 1HB LEU 43 -4.060 3.251 9.639 338 HD11 LEU 43 1HD1 LEU 43 -4.943 6.173 9.154 339 HD12 LEU 43 2HD1 LEU 43 -4.146 6.822 10.587 340 HD13 LEU 43 3HD1 LEU 43 -5.016 5.290 10.680 341 HD21 LEU 43 3HD2 LEU 43 -1.340 4.433 10.618 342 HD22 LEU 43 1HD2 LEU 43 -2.792 4.290 11.610 343 HD23 LEU 43 2HD2 LEU 43 -2.025 5.863 11.389 344 H TYR 44 H TYR 44 -3.630 2.531 6.432 345 HA TYR 44 HA TYR 44 -4.549 -0.075 6.933 346 HD1 TYR 44 HD1 TYR 44 -6.813 0.098 6.479 347 HD2 TYR 44 HD2 TYR 44 -5.346 3.104 3.844 348 HE1 TYR 44 HE1 TYR 44 -8.885 1.380 6.796 349 HE2 TYR 44 HE2 TYR 44 -7.416 4.393 4.158 350 HH TYR 44 HH TYR 44 -9.706 4.077 4.833 351 HB2 TYR 44 2HB TYR 44 -4.019 1.258 4.264 352 HB3 TYR 44 1HB TYR 44 -4.929 -0.233 4.473 353 H LEU 45 H LEU 45 -1.689 0.991 5.117 354 HA LEU 45 HA LEU 45 -0.763 -1.514 4.286 355 HG LEU 45 HG LEU 45 -0.792 1.430 3.185 356 HB2 LEU 45 2HB LEU 45 0.848 0.952 4.972 357 HB3 LEU 45 1HB LEU 45 1.440 -0.419 4.053 358 HD11 LEU 45 1HD1 LEU 45 1.369 2.542 3.159 359 HD12 LEU 45 2HD1 LEU 45 0.813 2.230 1.517 360 HD13 LEU 45 3HD1 LEU 45 2.063 1.212 2.232 361 HD21 LEU 45 3HD2 LEU 45 0.565 -0.844 1.726 362 HD22 LEU 45 1HD2 LEU 45 -0.615 0.268 1.028 363 HD23 LEU 45 2HD2 LEU 45 -1.096 -0.831 2.320 364 H GLU 46 H GLU 46 -0.057 0.274 7.286 365 HA GLU 46 HA GLU 46 1.906 -1.538 8.244 366 HB2 GLU 46 2HB GLU 46 1.681 0.815 9.011 367 HB3 GLU 46 1HB GLU 46 0.197 0.379 9.847 368 HG2 GLU 46 2HG GLU 46 1.383 -1.053 11.354 369 HG3 GLU 46 1HG GLU 46 2.876 -0.875 10.430 370 H GLN 47 H GLN 47 -1.596 -1.286 8.838 371 HA GLN 47 HA GLN 47 -1.777 -3.402 10.702 372 HB2 GLN 47 2HB GLN 47 -3.845 -2.426 8.715 373 HB3 GLN 47 1HB GLN 47 -4.174 -3.486 10.080 374 HG2 GLN 47 2HG GLN 47 -3.435 -1.715 11.619 375 HG3 GLN 47 1HG GLN 47 -3.154 -0.653 10.243 376 HE21 GLN 47 1HE2 GLN 47 -4.937 -0.290 12.500 377 HE22 GLN 47 2HE2 GLN 47 -6.520 -0.102 11.839 378 H LEU 48 H LEU 48 -2.319 -3.413 7.159 379 HA LEU 48 HA LEU 48 -2.601 -6.177 6.819 380 HG LEU 48 HG LEU 48 -3.760 -3.645 5.436 381 HB2 LEU 48 2HB LEU 48 -1.395 -4.140 4.936 382 HB3 LEU 48 1HB LEU 48 -1.836 -5.775 4.478 383 HD11 LEU 48 1HD1 LEU 48 -4.583 -3.658 3.130 384 HD12 LEU 48 2HD1 LEU 48 -3.307 -4.789 2.678 385 HD13 LEU 48 3HD1 LEU 48 -2.895 -3.159 3.215 386 HD21 LEU 48 3HD2 LEU 48 -5.514 -5.233 4.801 387 HD22 LEU 48 1HD2 LEU 48 -4.489 -5.886 6.079 388 HD23 LEU 48 2HD2 LEU 48 -4.287 -6.440 4.416 389 H HIS 49 H HIS 49 0.276 -4.210 7.194 390 HA HIS 49 HA HIS 49 2.212 -6.137 6.496 391 HD1 HIS 49 HD1 HIS 49 4.111 -4.014 10.052 392 HD2 HIS 49 HD2 HIS 49 5.170 -5.735 6.426 393 HE1 HIS 49 HE1 HIS 49 6.461 -4.822 10.353 394 HE2 HIS 49 HE2 HIS 49 6.965 -6.098 8.245 395 HB2 HIS 49 2HB HIS 49 2.880 -3.841 6.676 396 HB3 HIS 49 1HB HIS 49 2.332 -3.746 8.344 397 H ASP 50 H ASP 50 0.940 -5.233 9.714 398 HA ASP 50 HA ASP 50 2.594 -7.059 11.112 399 HB2 ASP 50 2HB ASP 50 1.508 -4.970 12.046 400 HB3 ASP 50 1HB ASP 50 0.002 -5.882 12.127 401 H VAL 51 H VAL 51 -0.558 -7.437 9.618 402 HA VAL 51 HA VAL 51 -1.042 -9.997 10.912 403 HB VAL 51 HB VAL 51 -3.057 -10.153 9.555 404 HG11 VAL 51 1HG1 VAL 51 -3.165 -8.841 11.609 405 HG12 VAL 51 2HG1 VAL 51 -4.235 -8.160 10.383 406 HG13 VAL 51 3HG1 VAL 51 -2.683 -7.391 10.727 407 HG21 VAL 51 3HG2 VAL 51 -2.118 -7.613 8.210 408 HG22 VAL 51 1HG2 VAL 51 -3.682 -8.392 7.965 409 HG23 VAL 51 2HG2 VAL 51 -2.201 -9.211 7.469 410 H GLY 52 H GLY 52 0.981 -9.076 8.427 411 HA2 GLY 52 2HA GLY 52 2.479 -10.778 7.625 412 HA3 GLY 52 1HA GLY 52 1.134 -11.899 7.575 413 H VAL 53 H VAL 53 -0.325 -9.404 6.213 414 HA VAL 53 HA VAL 53 -0.196 -10.491 3.610 415 HB VAL 53 HB VAL 53 -1.194 -7.744 4.418 416 HG11 VAL 53 1HG1 VAL 53 -1.805 -9.389 1.953 417 HG12 VAL 53 2HG1 VAL 53 -0.821 -7.926 2.004 418 HG13 VAL 53 3HG1 VAL 53 -2.543 -7.842 2.374 419 HG21 VAL 53 3HG2 VAL 53 -2.699 -10.354 4.160 420 HG22 VAL 53 1HG2 VAL 53 -3.407 -8.779 4.528 421 HG23 VAL 53 2HG2 VAL 53 -2.298 -9.535 5.668 422 H LEU 54 H LEU 54 1.176 -7.450 4.887 423 HA LEU 54 HA LEU 54 2.903 -7.289 2.486 424 HG LEU 54 HG LEU 54 0.135 -5.808 2.731 425 HB2 LEU 54 2HB LEU 54 1.916 -5.053 4.271 426 HB3 LEU 54 1HB LEU 54 3.003 -4.854 2.908 427 HD11 LEU 54 1HD1 LEU 54 1.366 -3.168 1.936 428 HD12 LEU 54 2HD1 LEU 54 0.307 -3.443 3.320 429 HD13 LEU 54 3HD1 LEU 54 -0.311 -3.656 1.684 430 HD21 LEU 54 3HD2 LEU 54 2.140 -5.199 0.552 431 HD22 LEU 54 1HD2 LEU 54 0.436 -5.585 0.308 432 HD23 LEU 54 2HD2 LEU 54 1.523 -6.794 0.987 433 H GLU 55 H GLU 55 5.077 -6.570 2.769 434 HA GLU 55 HA GLU 55 6.114 -6.718 5.525 435 HB2 GLU 55 2HB GLU 55 6.804 -8.700 4.281 436 HB3 GLU 55 1HB GLU 55 7.454 -7.699 2.992 437 HG2 GLU 55 2HG GLU 55 9.255 -8.527 4.350 438 HG3 GLU 55 1HG GLU 55 9.117 -6.785 4.567 439 H LYS 56 H LYS 56 7.803 -5.349 6.084 440 HA LYS 56 HA LYS 56 7.783 -2.799 4.734 441 HB2 LYS 56 2HB LYS 56 9.109 -2.057 6.702 442 HB3 LYS 56 1HB LYS 56 7.613 -2.866 7.155 443 HG2 LYS 56 2HG LYS 56 8.951 -4.966 7.490 444 HG3 LYS 56 1HG LYS 56 10.405 -4.002 7.252 445 HD2 LYS 56 2HD LYS 56 9.720 -2.584 9.172 446 HD3 LYS 56 1HD LYS 56 8.349 -3.665 9.438 447 HE2 LYS 56 2HE LYS 56 11.282 -4.362 9.606 448 HE3 LYS 56 1HE LYS 56 10.133 -4.282 10.939 449 HZ1 LYS 56 3HZ LYS 56 10.610 -6.565 10.193 450 HZ2 LYS 56 1HZ LYS 56 9.955 -6.204 8.675 451 HZ3 LYS 56 2HZ LYS 56 8.972 -6.174 10.052 452 H VAL 57 H VAL 57 8.955 -3.025 2.809 453 HA VAL 57 HA VAL 57 11.719 -3.927 2.913 454 HB VAL 57 HB VAL 57 10.243 -2.668 0.584 455 HG11 VAL 57 1HG1 VAL 57 12.020 -3.703 -0.782 456 HG12 VAL 57 2HG1 VAL 57 12.826 -4.236 0.695 457 HG13 VAL 57 3HG1 VAL 57 12.660 -2.515 0.353 458 HG21 VAL 57 3HG2 VAL 57 10.678 -5.593 1.215 459 HG22 VAL 57 1HG2 VAL 57 9.935 -4.950 -0.249 460 HG23 VAL 57 2HG2 VAL 57 9.142 -4.733 1.312 461 H ASN 58 H ASN 58 12.566 -2.410 4.393 462 HA ASN 58 HA ASN 58 13.374 0.108 3.200 463 HB2 ASN 58 2HB ASN 58 12.535 1.499 5.039 464 HB3 ASN 58 1HB ASN 58 11.210 0.694 4.205 465 HD21 ASN 58 1HD2 ASN 58 11.317 1.782 6.907 466 HD22 ASN 58 2HD2 ASN 58 10.930 0.473 7.963 467 H ALA 59 H ALA 59 15.156 1.092 4.228 468 HA ALA 59 HA ALA 59 16.911 -0.593 5.677 469 HB1 ALA 59 3HB ALA 59 18.354 1.358 5.858 470 HB2 ALA 59 1HB ALA 59 17.025 2.411 5.371 471 HB3 ALA 59 2HB ALA 59 17.685 1.237 4.230 472 H GLY 60 H GLY 60 14.588 1.840 6.685 473 HA2 GLY 60 2HA GLY 60 13.882 0.997 9.111 474 HA3 GLY 60 1HA GLY 60 15.441 1.719 9.475 475 H LYS 61 H LYS 61 15.432 3.805 10.044 476 HA LYS 61 HA LYS 61 13.010 5.398 9.576 477 HB2 LYS 61 2HB LYS 61 15.346 5.772 11.464 478 HB3 LYS 61 1HB LYS 61 14.103 6.992 11.230 479 HG2 LYS 61 2HG LYS 61 13.558 5.789 13.201 480 HG3 LYS 61 1HG LYS 61 12.407 5.305 11.958 481 HD2 LYS 61 2HD LYS 61 13.713 3.253 11.562 482 HD3 LYS 61 1HD LYS 61 14.850 3.739 12.820 483 HE2 LYS 61 2HE LYS 61 13.006 3.690 14.466 484 HE3 LYS 61 1HE LYS 61 11.912 3.134 13.199 485 HZ1 LYS 61 3HZ LYS 61 12.725 1.304 14.544 486 HZ2 LYS 61 1HZ LYS 61 14.324 1.693 14.158 487 HZ3 LYS 61 2HZ LYS 61 13.272 1.153 12.951 488 H GLY 62 H GLY 62 13.160 7.604 8.822 489 HA2 GLY 62 2HA GLY 62 14.104 9.365 7.623 490 HA3 GLY 62 1HA GLY 62 15.624 8.491 7.566 491 H VAL 63 H VAL 63 13.166 6.455 6.568 492 HA VAL 63 HA VAL 63 13.668 7.102 3.725 493 HB VAL 63 HB VAL 63 13.460 4.685 3.224 494 HG11 VAL 63 1HG1 VAL 63 15.613 5.354 5.243 495 HG12 VAL 63 2HG1 VAL 63 15.680 5.667 3.508 496 HG13 VAL 63 3HG1 VAL 63 15.655 4.006 4.104 497 HG21 VAL 63 3HG2 VAL 63 13.441 4.345 6.229 498 HG22 VAL 63 1HG2 VAL 63 13.578 3.040 5.051 499 HG23 VAL 63 2HG2 VAL 63 12.101 4.000 5.133 500 HA PRO 64 HA PRO 64 9.295 7.547 3.106 501 HB2 PRO 64 2HB PRO 64 9.701 6.196 0.484 502 HB3 PRO 64 1HB PRO 64 9.033 7.792 0.836 503 HG2 PRO 64 2HG PRO 64 11.475 7.548 -0.200 504 HG3 PRO 64 1HG PRO 64 11.131 8.773 1.035 505 HD2 PRO 64 2HD PRO 64 12.499 6.119 1.331 506 HD3 PRO 64 1HD PRO 64 12.916 7.687 2.054 507 H GLY 65 H GLY 65 10.800 4.418 2.642 508 HA2 GLY 65 2HA GLY 65 10.034 2.372 3.463 509 HA3 GLY 65 1HA GLY 65 8.468 3.105 3.773 510 H LEU 66 H LEU 66 9.875 0.755 2.055 511 HA LEU 66 HA LEU 66 8.033 1.025 -0.237 512 HG LEU 66 HG LEU 66 11.054 1.744 -0.303 513 HB2 LEU 66 2HB LEU 66 10.524 -0.670 0.037 514 HB3 LEU 66 1HB LEU 66 9.484 -0.611 -1.374 515 HD11 LEU 66 1HD1 LEU 66 11.638 -0.030 -2.681 516 HD12 LEU 66 2HD1 LEU 66 12.550 0.014 -1.171 517 HD13 LEU 66 3HD1 LEU 66 12.527 1.425 -2.227 518 HD21 LEU 66 3HD2 LEU 66 10.469 2.779 -2.465 519 HD22 LEU 66 1HD2 LEU 66 9.049 2.429 -1.481 520 HD23 LEU 66 2HD2 LEU 66 9.457 1.382 -2.840 521 H TRP 67 H TRP 67 6.519 -0.550 -0.601 522 HA TRP 67 HA TRP 67 6.269 -2.595 1.511 523 HD1 TRP 67 HD1 TRP 67 4.699 1.224 0.679 524 HE1 TRP 67 HE1 TRP 67 4.597 2.425 2.950 525 HE3 TRP 67 HE3 TRP 67 4.113 -2.848 3.722 526 HZ2 TRP 67 HZ2 TRP 67 4.310 1.736 5.672 527 HZ3 TRP 67 HZ3 TRP 67 3.939 -2.486 6.149 528 HH2 TRP 67 HH2 TRP 67 4.035 -0.244 7.103 529 HB2 TRP 67 2HB TRP 67 4.075 -1.249 -0.088 530 HB3 TRP 67 1HB TRP 67 3.836 -2.457 1.173 531 H ARG 68 H ARG 68 6.115 -4.673 1.012 532 HA ARG 68 HA ARG 68 5.505 -5.507 -1.748 533 HE ARG 68 HE ARG 68 8.326 -10.060 -2.153 534 HB2 ARG 68 2HB ARG 68 7.890 -5.568 -1.693 535 HB3 ARG 68 1HB ARG 68 7.908 -6.300 -0.095 536 HG2 ARG 68 2HG ARG 68 7.058 -8.380 -0.991 537 HG3 ARG 68 1HG ARG 68 6.900 -7.655 -2.595 538 HD2 ARG 68 2HD ARG 68 9.290 -7.396 -2.771 539 HD3 ARG 68 1HD ARG 68 9.513 -7.922 -1.102 540 HH11 ARG 68 1HH1 ARG 68 10.913 -8.146 -3.389 541 HH12 ARG 68 2HH1 ARG 68 11.658 -9.478 -4.192 542 HH21 ARG 68 1HH2 ARG 68 9.290 -11.752 -3.176 543 HH22 ARG 68 2HH2 ARG 68 10.745 -11.504 -4.079 544 H LEU 69 H LEU 69 4.284 -7.368 -1.903 545 HA LEU 69 HA LEU 69 3.132 -8.350 0.570 546 HG LEU 69 HG LEU 69 3.067 -8.052 -3.108 547 HB2 LEU 69 2HB LEU 69 1.677 -9.717 -1.003 548 HB3 LEU 69 1HB LEU 69 1.519 -7.976 -1.079 549 HD11 LEU 69 1HD1 LEU 69 3.138 -10.160 -4.361 550 HD12 LEU 69 2HD1 LEU 69 2.392 -10.991 -2.994 551 HD13 LEU 69 3HD1 LEU 69 3.995 -10.278 -2.823 552 HD21 LEU 69 3HD2 LEU 69 0.667 -7.650 -3.271 553 HD22 LEU 69 1HD2 LEU 69 0.370 -9.388 -3.314 554 HD23 LEU 69 2HD2 LEU 69 1.246 -8.610 -4.631 555 H LEU 70 H LEU 70 3.006 -10.587 1.175 556 HA LEU 70 HA LEU 70 4.901 -12.401 -0.120 557 HG LEU 70 HG LEU 70 4.227 -12.304 3.611 558 HB2 LEU 70 2HB LEU 70 6.003 -13.022 1.959 559 HB3 LEU 70 1HB LEU 70 6.254 -11.331 1.584 560 HD11 LEU 70 1HD1 LEU 70 5.827 -11.671 5.331 561 HD12 LEU 70 2HD1 LEU 70 7.021 -11.264 4.098 562 HD13 LEU 70 3HD1 LEU 70 6.495 -12.936 4.300 563 HD21 LEU 70 3HD2 LEU 70 4.318 -9.968 4.400 564 HD22 LEU 70 1HD2 LEU 70 3.734 -10.092 2.741 565 HD23 LEU 70 2HD2 LEU 70 5.388 -9.569 3.055 566 H GLU 71 H GLU 71 2.560 -12.128 2.593 567 HA GLU 71 HA GLU 71 1.860 -14.955 2.193 568 HB2 GLU 71 2HB GLU 71 0.983 -13.078 4.401 569 HB3 GLU 71 1HB GLU 71 0.694 -14.810 4.334 570 HG2 GLU 71 2HG GLU 71 3.357 -13.428 4.633 571 HG3 GLU 71 1HG GLU 71 2.494 -14.354 5.859 Start of MODEL 2 1 HA MET 1 HA MET 1 -20.536 -3.511 2.017 2 H1 MET 1 1H MET 1 -19.598 -1.963 4.368 3 H2 MET 1 2H MET 1 -18.806 -3.281 3.667 4 H3 MET 1 3H MET 1 -20.307 -3.497 4.407 5 HB2 MET 1 2HB MET 1 -21.687 -1.061 3.375 6 HB3 MET 1 1HB MET 1 -22.232 -1.677 1.823 7 HG2 MET 1 2HG MET 1 -22.362 -3.159 4.442 8 HG3 MET 1 1HG MET 1 -23.712 -2.354 3.640 9 HE1 MET 1 3HE MET 1 -25.199 -4.533 3.685 10 HE2 MET 1 1HE MET 1 -23.914 -5.371 4.555 11 HE3 MET 1 2HE MET 1 -24.641 -6.110 3.129 12 H SER 2 H SER 2 -19.416 -0.293 3.125 13 HA SER 2 HA SER 2 -18.565 0.342 0.372 14 HG SER 2 HG SER 2 -20.649 1.916 0.666 15 HB2 SER 2 2HB SER 2 -18.744 2.215 2.751 16 HB3 SER 2 1HB SER 2 -18.569 2.660 1.053 17 H GLU 3 H GLU 3 -17.039 -1.403 2.294 18 HA GLU 3 HA GLU 3 -14.774 0.314 3.067 19 HB2 GLU 3 2HB GLU 3 -15.465 -2.497 3.946 20 HB3 GLU 3 1HB GLU 3 -14.236 -1.452 4.651 21 HG2 GLU 3 2HG GLU 3 -15.796 -0.071 5.666 22 HG3 GLU 3 1HG GLU 3 -17.083 -0.540 4.557 23 H SER 4 H SER 4 -15.249 -0.904 0.306 24 HA SER 4 HA SER 4 -13.421 -3.032 -0.107 25 HG SER 4 HG SER 4 -14.547 -0.705 -3.206 26 HB2 SER 4 2HB SER 4 -13.683 -2.526 -2.520 27 HB3 SER 4 1HB SER 4 -15.234 -2.593 -1.682 28 H ILE 5 H ILE 5 -12.738 0.147 0.637 29 HA ILE 5 HA ILE 5 -10.632 0.872 -1.039 30 HB ILE 5 HB ILE 5 -11.066 1.532 1.885 31 HG12 ILE 5 2HG1 ILE 5 -11.648 3.803 0.877 32 HG13 ILE 5 1HG1 ILE 5 -11.650 3.012 -0.693 33 HG21 ILE 5 1HG2 ILE 5 -8.694 1.769 1.392 34 HG22 ILE 5 2HG2 ILE 5 -9.439 3.351 1.602 35 HG23 ILE 5 3HG2 ILE 5 -9.064 2.762 -0.016 36 HD11 ILE 5 3HD1 ILE 5 -13.894 3.245 0.180 37 HD12 ILE 5 1HD1 ILE 5 -13.445 2.347 1.630 38 HD13 ILE 5 2HD1 ILE 5 -13.450 1.543 0.059 39 H VAL 6 H VAL 6 -10.626 -1.237 1.801 40 HA VAL 6 HA VAL 6 -7.844 -1.477 2.151 41 HB VAL 6 HB VAL 6 -9.939 -3.595 2.704 42 HG11 VAL 6 1HG1 VAL 6 -7.190 -3.201 3.900 43 HG12 VAL 6 2HG1 VAL 6 -7.656 -4.472 2.771 44 HG13 VAL 6 3HG1 VAL 6 -8.362 -4.428 4.386 45 HG21 VAL 6 3HG2 VAL 6 -10.531 -1.476 3.766 46 HG22 VAL 6 1HG2 VAL 6 -8.926 -1.378 4.494 47 HG23 VAL 6 2HG2 VAL 6 -10.037 -2.662 4.973 48 H THR 7 H THR 7 -10.076 -3.652 0.385 49 HA THR 7 HA THR 7 -8.120 -5.342 -0.714 50 HB THR 7 HB THR 7 -10.800 -4.623 -1.947 51 HG1 THR 7 HG1 THR 7 -10.919 -6.970 -0.771 52 HG21 THR 7 3HG2 THR 7 -9.039 -7.059 -2.330 53 HG22 THR 7 1HG2 THR 7 -9.319 -5.790 -3.523 54 HG23 THR 7 2HG2 THR 7 -10.648 -6.835 -3.021 55 H LYS 8 H LYS 8 -9.434 -2.272 -1.867 56 HA LYS 8 HA LYS 8 -8.229 -2.193 -4.395 57 HB2 LYS 8 2HB LYS 8 -9.928 -0.570 -3.757 58 HB3 LYS 8 1HB LYS 8 -8.878 0.088 -2.509 59 HG2 LYS 8 2HG LYS 8 -7.320 0.881 -4.209 60 HG3 LYS 8 1HG LYS 8 -8.326 0.177 -5.476 61 HD2 LYS 8 2HD LYS 8 -10.165 1.680 -4.835 62 HD3 LYS 8 1HD LYS 8 -9.146 2.388 -3.578 63 HE2 LYS 8 2HE LYS 8 -9.200 3.793 -5.585 64 HE3 LYS 8 1HE LYS 8 -7.577 3.175 -5.278 65 HZ1 LYS 8 3HZ LYS 8 -7.869 1.543 -6.999 66 HZ2 LYS 8 1HZ LYS 8 -8.248 3.062 -7.633 67 HZ3 LYS 8 2HZ LYS 8 -9.483 1.985 -7.225 68 H ILE 9 H ILE 9 -7.001 -0.968 -1.268 69 HA ILE 9 HA ILE 9 -4.554 0.024 -2.211 70 HB ILE 9 HB ILE 9 -5.234 -1.079 0.524 71 HG12 ILE 9 2HG1 ILE 9 -5.162 1.763 -0.540 72 HG13 ILE 9 1HG1 ILE 9 -6.617 0.833 -0.202 73 HG21 ILE 9 1HG2 ILE 9 -3.290 0.194 1.341 74 HG22 ILE 9 2HG2 ILE 9 -2.870 0.611 -0.320 75 HG23 ILE 9 3HG2 ILE 9 -2.813 -1.071 0.209 76 HD11 ILE 9 3HD1 ILE 9 -4.574 1.729 1.817 77 HD12 ILE 9 1HD1 ILE 9 -6.011 0.770 2.168 78 HD13 ILE 9 2HD1 ILE 9 -6.178 2.418 1.565 79 H ILE 10 H ILE 10 -5.350 -3.218 -0.934 80 HA ILE 10 HA ILE 10 -2.831 -4.407 -1.200 81 HB ILE 10 HB ILE 10 -5.538 -5.700 -1.670 82 HG12 ILE 10 2HG1 ILE 10 -3.853 -5.564 0.852 83 HG13 ILE 10 1HG1 ILE 10 -5.312 -4.625 0.557 84 HG21 ILE 10 1HG2 ILE 10 -2.868 -6.969 -1.036 85 HG22 ILE 10 2HG2 ILE 10 -3.729 -7.065 -2.573 86 HG23 ILE 10 3HG2 ILE 10 -4.412 -7.817 -1.132 87 HD11 ILE 10 3HD1 ILE 10 -5.147 -7.623 0.765 88 HD12 ILE 10 1HD1 ILE 10 -6.612 -6.690 0.451 89 HD13 ILE 10 2HD1 ILE 10 -5.768 -6.515 1.988 90 H SER 11 H SER 11 -5.432 -4.044 -3.585 91 HA SER 11 HA SER 11 -4.113 -5.316 -5.753 92 HG SER 11 HG SER 11 -7.103 -4.951 -4.774 93 HB2 SER 11 2HB SER 11 -6.274 -3.190 -5.811 94 HB3 SER 11 1HB SER 11 -5.796 -4.200 -7.176 95 H ILE 12 H ILE 12 -3.980 -2.034 -4.506 96 HA ILE 12 HA ILE 12 -2.673 -0.835 -6.723 97 HB ILE 12 HB ILE 12 -2.687 -0.061 -3.799 98 HG12 ILE 12 2HG1 ILE 12 -4.156 1.134 -6.168 99 HG13 ILE 12 1HG1 ILE 12 -4.868 0.009 -5.017 100 HG21 ILE 12 1HG2 ILE 12 -0.680 0.839 -4.846 101 HG22 ILE 12 2HG2 ILE 12 -1.834 2.134 -4.521 102 HG23 ILE 12 3HG2 ILE 12 -1.646 1.512 -6.162 103 HD11 ILE 12 3HD1 ILE 12 -5.496 2.296 -4.532 104 HD12 ILE 12 1HD1 ILE 12 -3.796 2.744 -4.370 105 HD13 ILE 12 2HD1 ILE 12 -4.527 1.615 -3.225 106 H VAL 13 H VAL 13 -1.378 -2.193 -3.671 107 HA VAL 13 HA VAL 13 1.346 -1.839 -4.277 108 HB VAL 13 HB VAL 13 0.132 -4.092 -2.647 109 HG11 VAL 13 1HG1 VAL 13 2.466 -4.511 -3.277 110 HG12 VAL 13 2HG1 VAL 13 2.320 -4.200 -1.549 111 HG13 VAL 13 3HG1 VAL 13 2.932 -2.942 -2.620 112 HG21 VAL 13 3HG2 VAL 13 1.069 -1.347 -1.787 113 HG22 VAL 13 1HG2 VAL 13 0.575 -2.644 -0.697 114 HG23 VAL 13 2HG2 VAL 13 -0.596 -1.927 -1.802 115 H GLN 14 H GLN 14 -0.806 -4.616 -4.877 116 HA GLN 14 HA GLN 14 0.927 -6.303 -6.255 117 HB2 GLN 14 2HB GLN 14 -1.390 -6.892 -5.599 118 HB3 GLN 14 1HB GLN 14 -2.009 -5.794 -6.823 119 HG2 GLN 14 2HG GLN 14 -2.188 -7.985 -7.694 120 HG3 GLN 14 1HG GLN 14 -0.864 -7.203 -8.551 121 HE21 GLN 14 1HE2 GLN 14 -0.617 -8.490 -5.291 122 HE22 GLN 14 2HE2 GLN 14 0.456 -9.777 -5.691 123 H GLU 15 H GLU 15 -1.116 -3.696 -7.544 124 HA GLU 15 HA GLU 15 -0.433 -3.860 -10.238 125 HB2 GLU 15 2HB GLU 15 -2.278 -2.481 -9.357 126 HB3 GLU 15 1HB GLU 15 -1.113 -1.397 -8.610 127 HG2 GLU 15 2HG GLU 15 -0.216 -0.935 -10.924 128 HG3 GLU 15 1HG GLU 15 -1.611 -1.813 -11.550 129 H ARG 16 H ARG 16 0.856 -1.442 -7.934 130 HA ARG 16 HA ARG 16 2.831 -0.364 -9.544 131 HE ARG 16 HE ARG 16 1.307 3.520 -7.200 132 HB2 ARG 16 2HB ARG 16 2.944 -0.746 -6.543 133 HB3 ARG 16 1HB ARG 16 3.946 0.365 -7.463 134 HG2 ARG 16 2HG ARG 16 0.952 0.505 -7.140 135 HG3 ARG 16 1HG ARG 16 2.144 1.542 -6.358 136 HD2 ARG 16 2HD ARG 16 2.877 2.142 -8.764 137 HD3 ARG 16 1HD ARG 16 1.330 1.444 -9.250 138 HH11 ARG 16 1HH1 ARG 16 0.575 2.569 -10.423 139 HH12 ARG 16 2HH1 ARG 16 -0.242 4.045 -10.790 140 HH21 ARG 16 1HH2 ARG 16 0.249 5.393 -7.663 141 HH22 ARG 16 2HH2 ARG 16 -0.436 5.638 -9.230 142 H GLN 17 H GLN 17 3.226 -3.010 -7.184 143 HA GLN 17 HA GLN 17 5.960 -3.444 -7.532 144 HB2 GLN 17 2HB GLN 17 4.573 -4.344 -5.689 145 HB3 GLN 17 1HB GLN 17 3.827 -5.470 -6.812 146 HG2 GLN 17 2HG GLN 17 5.912 -6.626 -7.125 147 HG3 GLN 17 1HG GLN 17 6.773 -5.413 -6.176 148 HE21 GLN 17 1HE2 GLN 17 6.487 -8.324 -5.782 149 HE22 GLN 17 2HE2 GLN 17 5.838 -8.510 -4.193 150 H ASN 18 H ASN 18 3.215 -4.714 -9.374 151 HA ASN 18 HA ASN 18 4.877 -6.409 -11.024 152 HB2 ASN 18 2HB ASN 18 1.965 -5.614 -11.185 153 HB3 ASN 18 1HB ASN 18 2.734 -6.667 -12.366 154 HD21 ASN 18 1HD2 ASN 18 0.563 -7.241 -10.536 155 HD22 ASN 18 2HD2 ASN 18 1.090 -8.567 -9.564 156 H MET 19 H MET 19 3.703 -3.118 -11.188 157 HA MET 19 HA MET 19 4.136 -2.739 -13.991 158 HB2 MET 19 2HB MET 19 3.959 -0.737 -11.726 159 HB3 MET 19 1HB MET 19 4.055 -0.297 -13.426 160 HG2 MET 19 2HG MET 19 1.853 -1.872 -12.111 161 HG3 MET 19 1HG MET 19 1.771 -0.192 -12.632 162 HE1 MET 19 3HE MET 19 -0.599 -1.935 -15.209 163 HE2 MET 19 1HE MET 19 -0.432 -0.633 -14.029 164 HE3 MET 19 2HE MET 19 -0.426 -2.315 -13.496 165 H ASP 20 H ASP 20 6.007 -1.558 -11.167 166 HA ASP 20 HA ASP 20 8.272 -0.868 -12.782 167 HB2 ASP 20 2HB ASP 20 7.966 -1.095 -9.777 168 HB3 ASP 20 1HB ASP 20 9.391 -0.454 -10.590 169 H ASP 21 H ASP 21 7.329 -3.657 -10.886 170 HA ASP 21 HA ASP 21 7.999 -5.815 -10.971 171 HB2 ASP 21 2HB ASP 21 8.159 -5.454 -13.397 172 HB3 ASP 21 1HB ASP 21 9.819 -4.901 -13.210 173 H GLY 22 H GLY 22 11.084 -4.186 -11.749 174 HA2 GLY 22 2HA GLY 22 12.431 -5.802 -9.727 175 HA3 GLY 22 1HA GLY 22 13.196 -4.737 -10.892 176 H ALA 23 H ALA 23 10.647 -3.990 -8.528 177 HA ALA 23 HA ALA 23 12.428 -2.487 -6.834 178 HB1 ALA 23 3HB ALA 23 10.442 -0.957 -8.518 179 HB2 ALA 23 1HB ALA 23 12.194 -0.947 -8.729 180 HB3 ALA 23 2HB ALA 23 11.479 -0.288 -7.259 181 HA PRO 24 HA PRO 24 8.961 -3.200 -4.029 182 HB2 PRO 24 2HB PRO 24 9.868 -1.681 -1.954 183 HB3 PRO 24 1HB PRO 24 10.501 -3.293 -2.317 184 HG2 PRO 24 2HG PRO 24 11.643 -0.610 -3.009 185 HG3 PRO 24 1HG PRO 24 12.473 -2.058 -2.412 186 HD2 PRO 24 2HD PRO 24 12.480 -1.334 -5.029 187 HD3 PRO 24 1HD PRO 24 12.549 -3.030 -4.500 188 H VAL 25 H VAL 25 7.161 -2.028 -3.236 189 HA VAL 25 HA VAL 25 6.600 0.400 -4.704 190 HB VAL 25 HB VAL 25 4.816 -0.988 -2.689 191 HG11 VAL 25 1HG1 VAL 25 2.998 0.033 -3.992 192 HG12 VAL 25 2HG1 VAL 25 4.190 0.840 -5.011 193 HG13 VAL 25 3HG1 VAL 25 4.076 1.243 -3.298 194 HG21 VAL 25 3HG2 VAL 25 5.526 -2.625 -4.338 195 HG22 VAL 25 1HG2 VAL 25 5.078 -1.533 -5.648 196 HG23 VAL 25 2HG2 VAL 25 3.833 -2.201 -4.592 197 H LYS 26 H LYS 26 5.936 2.412 -3.774 198 HA LYS 26 HA LYS 26 6.980 2.862 -1.040 199 HB2 LYS 26 2HB LYS 26 6.732 4.878 -3.293 200 HB3 LYS 26 1HB LYS 26 7.386 5.193 -1.696 201 HG2 LYS 26 2HG LYS 26 9.230 5.002 -3.157 202 HG3 LYS 26 1HG LYS 26 9.190 3.511 -2.217 203 HD2 LYS 26 2HD LYS 26 8.265 2.287 -4.054 204 HD3 LYS 26 1HD LYS 26 7.981 3.765 -4.974 205 HE2 LYS 26 2HE LYS 26 10.692 2.685 -4.188 206 HE3 LYS 26 1HE LYS 26 9.947 2.510 -5.777 207 HZ1 LYS 26 3HZ LYS 26 10.716 5.059 -4.469 208 HZ2 LYS 26 1HZ LYS 26 9.914 4.942 -5.953 209 HZ3 LYS 26 2HZ LYS 26 11.483 4.338 -5.787 210 H THR 27 H THR 27 5.808 4.277 0.361 211 HA THR 27 HA THR 27 3.029 3.975 0.382 212 HB THR 27 HB THR 27 4.626 6.160 1.755 213 HG1 THR 27 HG1 THR 27 5.149 3.853 2.211 214 HG21 THR 27 3HG2 THR 27 2.218 6.663 1.720 215 HG22 THR 27 1HG2 THR 27 2.761 6.262 3.349 216 HG23 THR 27 2HG2 THR 27 1.873 5.071 2.397 217 H ARG 28 H ARG 28 5.001 6.468 -1.080 218 HA ARG 28 HA ARG 28 3.019 8.445 -1.451 219 HE ARG 28 HE ARG 28 7.086 8.887 -3.705 220 HB2 ARG 28 2HB ARG 28 5.451 7.961 -3.187 221 HB3 ARG 28 1HB ARG 28 4.538 9.458 -3.052 222 HG2 ARG 28 2HG ARG 28 5.203 9.585 -0.658 223 HG3 ARG 28 1HG ARG 28 6.217 8.163 -0.908 224 HD2 ARG 28 2HD ARG 28 6.496 10.878 -2.195 225 HD3 ARG 28 1HD ARG 28 7.617 10.095 -1.081 226 HH11 ARG 28 1HH1 ARG 28 9.272 10.427 -1.536 227 HH12 ARG 28 2HH1 ARG 28 10.657 10.048 -2.494 228 HH21 ARG 28 1HH2 ARG 28 8.857 8.430 -4.930 229 HH22 ARG 28 2HH2 ARG 28 10.425 8.933 -4.401 230 H ASP 29 H ASP 29 4.327 6.149 -3.901 231 HA ASP 29 HA ASP 29 2.370 6.869 -5.821 232 HB2 ASP 29 2HB ASP 29 3.192 4.542 -6.841 233 HB3 ASP 29 1HB ASP 29 4.143 6.016 -6.944 234 H ILE 30 H ILE 30 2.260 4.565 -3.210 235 HA ILE 30 HA ILE 30 -0.018 3.116 -4.116 236 HB ILE 30 HB ILE 30 0.812 3.733 -1.263 237 HG12 ILE 30 2HG1 ILE 30 1.299 1.266 -2.957 238 HG13 ILE 30 1HG1 ILE 30 2.505 2.495 -2.604 239 HG21 ILE 30 1HG2 ILE 30 -1.528 3.099 -1.349 240 HG22 ILE 30 2HG2 ILE 30 -0.585 1.769 -0.678 241 HG23 ILE 30 3HG2 ILE 30 -1.145 1.698 -2.348 242 HD11 ILE 30 3HD1 ILE 30 2.816 0.564 -1.193 243 HD12 ILE 30 1HD1 ILE 30 1.162 0.697 -0.599 244 HD13 ILE 30 2HD1 ILE 30 2.338 1.952 -0.218 245 H ALA 31 H ALA 31 0.261 5.940 -1.937 246 HA ALA 31 HA ALA 31 -2.459 6.530 -1.685 247 HB1 ALA 31 3HB ALA 31 -0.743 7.575 -0.302 248 HB2 ALA 31 1HB ALA 31 -1.742 8.801 -1.084 249 HB3 ALA 31 2HB ALA 31 -0.127 8.451 -1.702 250 H ASP 32 H ASP 32 -0.133 7.523 -4.146 251 HA ASP 32 HA ASP 32 -1.607 9.264 -5.689 252 HB2 ASP 32 2HB ASP 32 0.744 8.770 -6.102 253 HB3 ASP 32 1HB ASP 32 0.347 7.122 -6.573 254 H ALA 33 H ALA 33 -1.508 5.697 -6.041 255 HA ALA 33 HA ALA 33 -3.527 5.640 -8.074 256 HB1 ALA 33 3HB ALA 33 -2.438 3.405 -6.363 257 HB2 ALA 33 1HB ALA 33 -1.820 3.909 -7.934 258 HB3 ALA 33 2HB ALA 33 -3.431 3.203 -7.807 259 H ALA 34 H ALA 34 -3.582 5.575 -4.603 260 HA ALA 34 HA ALA 34 -6.260 4.511 -4.384 261 HB1 ALA 34 3HB ALA 34 -4.587 4.118 -2.628 262 HB2 ALA 34 1HB ALA 34 -6.022 4.925 -1.997 263 HB3 ALA 34 2HB ALA 34 -4.546 5.847 -2.285 264 H GLY 35 H GLY 35 -4.860 7.650 -4.794 265 HA2 GLY 35 2HA GLY 35 -5.816 9.743 -4.973 266 HA3 GLY 35 1HA GLY 35 -7.393 8.966 -4.929 267 H LEU 36 H LEU 36 -5.110 8.409 -2.375 268 HA LEU 36 HA LEU 36 -6.805 9.997 -0.542 269 HG LEU 36 HG LEU 36 -7.488 7.014 -1.254 270 HB2 LEU 36 2HB LEU 36 -5.395 7.376 -0.004 271 HB3 LEU 36 1HB LEU 36 -6.270 8.310 1.195 272 HD11 LEU 36 1HD1 LEU 36 -6.796 5.369 0.398 273 HD12 LEU 36 2HD1 LEU 36 -8.553 5.498 0.344 274 HD13 LEU 36 3HD1 LEU 36 -7.654 6.252 1.661 275 HD21 LEU 36 3HD2 LEU 36 -8.667 9.060 -0.639 276 HD22 LEU 36 1HD2 LEU 36 -8.801 8.493 1.029 277 HD23 LEU 36 2HD2 LEU 36 -9.640 7.636 -0.265 278 H SER 37 H SER 37 -5.578 10.205 1.681 279 HA SER 37 HA SER 37 -3.166 11.713 1.137 280 HG SER 37 HG SER 37 -4.676 13.576 2.247 281 HB2 SER 37 2HB SER 37 -4.574 11.195 3.775 282 HB3 SER 37 1HB SER 37 -3.302 12.385 3.493 283 H ILE 38 H ILE 38 -1.123 11.369 2.086 284 HA ILE 38 HA ILE 38 -0.104 8.792 2.022 285 HB ILE 38 HB ILE 38 1.006 11.167 3.546 286 HG12 ILE 38 2HG1 ILE 38 0.641 11.639 1.155 287 HG13 ILE 38 1HG1 ILE 38 2.357 11.572 1.533 288 HG21 ILE 38 1HG2 ILE 38 2.388 8.642 2.626 289 HG22 ILE 38 2HG2 ILE 38 2.063 9.116 4.292 290 HG23 ILE 38 3HG2 ILE 38 3.193 10.052 3.316 291 HD11 ILE 38 3HD1 ILE 38 1.869 10.482 -0.578 292 HD12 ILE 38 1HD1 ILE 38 0.750 9.386 0.229 293 HD13 ILE 38 2HD1 ILE 38 2.470 9.319 0.602 294 H TYR 39 H TYR 39 -1.206 10.642 4.837 295 HA TYR 39 HA TYR 39 -0.330 8.908 6.861 296 HD1 TYR 39 HD2 TYR 39 0.250 10.088 9.032 297 HD2 TYR 39 HD1 TYR 39 -4.004 10.123 8.851 298 HE1 TYR 39 HE2 TYR 39 0.149 9.647 11.448 299 HE2 TYR 39 HE1 TYR 39 -4.114 9.688 11.267 300 HH TYR 39 HH TYR 39 -2.668 8.698 13.042 301 HB2 TYR 39 2HB TYR 39 -1.146 11.275 7.142 302 HB3 TYR 39 1HB TYR 39 -2.787 10.677 6.940 303 H GLN 40 H GLN 40 -3.691 9.214 5.613 304 HA GLN 40 HA GLN 40 -4.842 7.023 6.815 305 HB2 GLN 40 2HB GLN 40 -5.314 8.335 4.158 306 HB3 GLN 40 1HB GLN 40 -6.178 6.857 4.544 307 HG2 GLN 40 2HG GLN 40 -6.246 9.356 6.221 308 HG3 GLN 40 1HG GLN 40 -7.444 8.935 5.000 309 HE21 GLN 40 1HE2 GLN 40 -9.169 8.739 6.371 310 HE22 GLN 40 2HE2 GLN 40 -9.296 7.508 7.577 311 H VAL 41 H VAL 41 -3.350 7.008 3.573 312 HA VAL 41 HA VAL 41 -3.603 4.302 3.026 313 HB VAL 41 HB VAL 41 -1.404 6.193 2.156 314 HG11 VAL 41 1HG1 VAL 41 -1.033 4.632 0.286 315 HG12 VAL 41 2HG1 VAL 41 -2.184 3.505 1.008 316 HG13 VAL 41 3HG1 VAL 41 -0.679 3.886 1.844 317 HG21 VAL 41 3HG2 VAL 41 -3.629 6.945 1.524 318 HG22 VAL 41 1HG2 VAL 41 -3.987 5.369 0.820 319 HG23 VAL 41 2HG2 VAL 41 -2.746 6.395 0.100 320 H ARG 42 H ARG 42 -0.909 5.970 4.664 321 HA ARG 42 HA ARG 42 0.745 3.721 4.948 322 HE ARG 42 HE ARG 42 4.207 2.914 7.309 323 HB2 ARG 42 2HB ARG 42 1.458 6.093 5.309 324 HB3 ARG 42 1HB ARG 42 0.600 6.071 6.848 325 HG2 ARG 42 2HG ARG 42 2.985 5.695 7.171 326 HG3 ARG 42 1HG ARG 42 2.057 4.271 7.641 327 HD2 ARG 42 2HD ARG 42 2.566 3.242 5.457 328 HD3 ARG 42 1HD ARG 42 3.522 4.658 5.025 329 HH11 ARG 42 1HH1 ARG 42 5.082 4.567 4.413 330 HH12 ARG 42 2HH1 ARG 42 6.769 4.255 4.614 331 HH21 ARG 42 1HH2 ARG 42 6.377 2.493 7.538 332 HH22 ARG 42 2HH2 ARG 42 7.496 3.097 6.366 333 H LEU 43 H LEU 43 -1.790 5.006 7.099 334 HA LEU 43 HA LEU 43 -1.459 3.270 9.263 335 HG LEU 43 HG LEU 43 -2.576 6.209 8.766 336 HB2 LEU 43 2HB LEU 43 -4.050 4.354 8.134 337 HB3 LEU 43 1HB LEU 43 -3.866 3.646 9.728 338 HD11 LEU 43 1HD1 LEU 43 -4.971 6.437 9.149 339 HD12 LEU 43 2HD1 LEU 43 -4.052 7.293 10.384 340 HD13 LEU 43 3HD1 LEU 43 -4.795 5.739 10.759 341 HD21 LEU 43 3HD2 LEU 43 -1.844 6.472 11.101 342 HD22 LEU 43 1HD2 LEU 43 -1.112 5.067 10.327 343 HD23 LEU 43 2HD2 LEU 43 -2.445 4.852 11.465 344 H TYR 44 H TYR 44 -3.355 2.823 6.294 345 HA TYR 44 HA TYR 44 -4.268 0.210 6.898 346 HD1 TYR 44 HD2 TYR 44 -6.769 -0.300 5.637 347 HD2 TYR 44 HD1 TYR 44 -5.274 3.620 4.877 348 HE1 TYR 44 HE2 TYR 44 -8.983 0.640 6.137 349 HE2 TYR 44 HE1 TYR 44 -7.486 4.562 5.379 350 HH TYR 44 HH TYR 44 -9.835 3.850 5.420 351 HB2 TYR 44 2HB TYR 44 -3.959 1.693 4.284 352 HB3 TYR 44 1HB TYR 44 -4.638 0.070 4.381 353 H LEU 45 H LEU 45 -1.398 1.369 5.135 354 HA LEU 45 HA LEU 45 -0.443 -1.120 4.244 355 HG LEU 45 HG LEU 45 -0.388 1.899 3.261 356 HB2 LEU 45 2HB LEU 45 1.162 1.313 5.065 357 HB3 LEU 45 1HB LEU 45 1.773 -0.031 4.118 358 HD11 LEU 45 1HD1 LEU 45 1.851 2.893 3.319 359 HD12 LEU 45 2HD1 LEU 45 1.238 2.734 1.675 360 HD13 LEU 45 3HD1 LEU 45 2.449 1.600 2.276 361 HD21 LEU 45 3HD2 LEU 45 0.902 -0.352 1.718 362 HD22 LEU 45 1HD2 LEU 45 -0.262 0.815 1.087 363 HD23 LEU 45 2HD2 LEU 45 -0.753 -0.333 2.333 364 H GLU 46 H GLU 46 0.257 0.645 7.256 365 HA GLU 46 HA GLU 46 2.002 -1.109 8.498 366 HB2 GLU 46 2HB GLU 46 -0.247 0.486 9.756 367 HB3 GLU 46 1HB GLU 46 1.088 -0.235 10.643 368 HG2 GLU 46 2HG GLU 46 1.365 1.893 8.525 369 HG3 GLU 46 1HG GLU 46 1.342 2.189 10.261 370 H GLN 47 H GLN 47 -1.558 -1.107 8.689 371 HA GLN 47 HA GLN 47 -1.759 -3.445 10.269 372 HB2 GLN 47 2HB GLN 47 -3.816 -2.184 8.444 373 HB3 GLN 47 1HB GLN 47 -4.156 -3.384 9.684 374 HG2 GLN 47 2HG GLN 47 -3.113 -0.588 10.114 375 HG3 GLN 47 1HG GLN 47 -4.727 -1.188 10.497 376 HE21 GLN 47 1HE2 GLN 47 -5.008 -2.488 12.316 377 HE22 GLN 47 2HE2 GLN 47 -3.799 -2.624 13.545 378 H LEU 48 H LEU 48 -1.705 -2.967 6.761 379 HA LEU 48 HA LEU 48 -2.407 -5.613 6.047 380 HG LEU 48 HG LEU 48 -3.209 -3.012 4.772 381 HB2 LEU 48 2HB LEU 48 -0.800 -3.511 4.601 382 HB3 LEU 48 1HB LEU 48 -1.174 -5.071 3.889 383 HD11 LEU 48 1HD1 LEU 48 -3.649 -2.743 2.375 384 HD12 LEU 48 2HD1 LEU 48 -2.311 -3.836 2.009 385 HD13 LEU 48 3HD1 LEU 48 -1.997 -2.286 2.795 386 HD21 LEU 48 3HD2 LEU 48 -3.590 -5.646 3.344 387 HD22 LEU 48 1HD2 LEU 48 -4.850 -4.459 3.679 388 HD23 LEU 48 2HD2 LEU 48 -4.052 -5.296 5.009 389 H HIS 49 H HIS 49 0.646 -4.205 7.091 390 HA HIS 49 HA HIS 49 2.186 -6.573 6.543 391 HD1 HIS 49 HD1 HIS 49 3.983 -7.062 9.329 392 HD2 HIS 49 HD2 HIS 49 5.691 -4.733 6.338 393 HE1 HIS 49 HE1 HIS 49 6.332 -7.888 9.094 394 HE2 HIS 49 HE2 HIS 49 7.262 -6.625 7.137 395 HB2 HIS 49 2HB HIS 49 3.117 -4.226 6.904 396 HB3 HIS 49 1HB HIS 49 2.833 -4.470 8.622 397 H ASP 50 H ASP 50 0.382 -5.307 9.290 398 HA ASP 50 HA ASP 50 1.123 -7.201 11.233 399 HB2 ASP 50 2HB ASP 50 0.082 -5.170 11.924 400 HB3 ASP 50 1HB ASP 50 -1.317 -5.450 10.891 401 H VAL 51 H VAL 51 -1.582 -7.216 8.915 402 HA VAL 51 HA VAL 51 -2.682 -9.667 9.964 403 HB VAL 51 HB VAL 51 -4.327 -9.517 8.177 404 HG11 VAL 51 1HG1 VAL 51 -4.654 -8.163 10.185 405 HG12 VAL 51 2HG1 VAL 51 -5.321 -7.359 8.766 406 HG13 VAL 51 3HG1 VAL 51 -3.781 -6.825 9.439 407 HG21 VAL 51 3HG2 VAL 51 -2.713 -7.179 7.137 408 HG22 VAL 51 1HG2 VAL 51 -4.268 -7.731 6.508 409 HG23 VAL 51 2HG2 VAL 51 -2.843 -8.762 6.372 410 H GLY 52 H GLY 52 -0.170 -9.008 7.775 411 HA2 GLY 52 2HA GLY 52 1.243 -10.696 6.905 412 HA3 GLY 52 1HA GLY 52 -0.084 -11.841 7.010 413 H VAL 53 H VAL 53 0.305 -8.687 5.381 414 HA VAL 53 HA VAL 53 -0.235 -10.019 2.795 415 HB VAL 53 HB VAL 53 -1.142 -7.252 3.641 416 HG11 VAL 53 1HG1 VAL 53 -1.504 -8.675 0.995 417 HG12 VAL 53 2HG1 VAL 53 -0.483 -7.265 1.292 418 HG13 VAL 53 3HG1 VAL 53 -2.235 -7.131 1.439 419 HG21 VAL 53 3HG2 VAL 53 -3.411 -8.126 3.393 420 HG22 VAL 53 1HG2 VAL 53 -2.507 -9.048 4.594 421 HG23 VAL 53 2HG2 VAL 53 -2.766 -9.717 2.984 422 H LEU 54 H LEU 54 1.082 -6.988 4.173 423 HA LEU 54 HA LEU 54 2.941 -6.803 1.904 424 HG LEU 54 HG LEU 54 0.325 -4.985 2.587 425 HB2 LEU 54 2HB LEU 54 2.275 -4.742 4.010 426 HB3 LEU 54 1HB LEU 54 3.307 -4.490 2.614 427 HD11 LEU 54 1HD1 LEU 54 0.963 -2.734 3.254 428 HD12 LEU 54 2HD1 LEU 54 0.226 -2.730 1.651 429 HD13 LEU 54 3HD1 LEU 54 1.977 -2.580 1.818 430 HD21 LEU 54 3HD2 LEU 54 2.228 -4.633 0.267 431 HD22 LEU 54 1HD2 LEU 54 0.467 -4.677 0.156 432 HD23 LEU 54 2HD2 LEU 54 1.353 -6.107 0.686 433 H GLU 55 H GLU 55 5.116 -6.908 2.124 434 HA GLU 55 HA GLU 55 6.231 -7.243 4.832 435 HB2 GLU 55 2HB GLU 55 6.536 -9.172 3.313 436 HB3 GLU 55 1HB GLU 55 7.366 -8.134 2.164 437 HG2 GLU 55 2HG GLU 55 8.950 -9.458 3.426 438 HG3 GLU 55 1HG GLU 55 9.150 -7.744 3.786 439 H LYS 56 H LYS 56 8.456 -6.335 5.141 440 HA LYS 56 HA LYS 56 8.548 -3.645 3.965 441 HB2 LYS 56 2HB LYS 56 9.929 -3.047 5.918 442 HB3 LYS 56 1HB LYS 56 8.369 -3.709 6.386 443 HG2 LYS 56 2HG LYS 56 9.422 -5.866 6.880 444 HG3 LYS 56 1HG LYS 56 10.990 -5.211 6.396 445 HD2 LYS 56 2HD LYS 56 10.775 -3.502 8.192 446 HD3 LYS 56 1HD LYS 56 9.279 -4.280 8.709 447 HE2 LYS 56 2HE LYS 56 12.014 -5.562 8.649 448 HE3 LYS 56 1HE LYS 56 11.187 -4.970 10.086 449 HZ1 LYS 56 3HZ LYS 56 9.423 -6.601 9.652 450 HZ2 LYS 56 1HZ LYS 56 10.926 -7.329 9.909 451 HZ3 LYS 56 2HZ LYS 56 10.306 -7.206 8.342 452 H VAL 57 H VAL 57 10.241 -2.914 2.813 453 HA VAL 57 HA VAL 57 12.657 -4.609 2.583 454 HB VAL 57 HB VAL 57 11.401 -2.874 0.435 455 HG11 VAL 57 1HG1 VAL 57 13.832 -2.861 0.258 456 HG12 VAL 57 2HG1 VAL 57 13.130 -3.801 -1.055 457 HG13 VAL 57 3HG1 VAL 57 13.867 -4.624 0.319 458 HG21 VAL 57 3HG2 VAL 57 10.961 -4.978 -0.742 459 HG22 VAL 57 1HG2 VAL 57 10.147 -4.945 0.824 460 HG23 VAL 57 2HG2 VAL 57 11.626 -5.885 0.617 461 H ASN 58 H ASN 58 14.539 -3.627 3.149 462 HA ASN 58 HA ASN 58 15.149 -0.908 2.654 463 HB2 ASN 58 2HB ASN 58 15.227 -0.104 5.019 464 HB3 ASN 58 1HB ASN 58 13.596 -0.391 4.425 465 HD21 ASN 58 1HD2 ASN 58 12.825 -0.582 6.521 466 HD22 ASN 58 2HD2 ASN 58 13.118 -1.980 7.489 467 H ALA 59 H ALA 59 17.111 -0.212 4.192 468 HA ALA 59 HA ALA 59 19.046 -2.403 4.195 469 HB1 ALA 59 3HB ALA 59 20.718 -0.680 4.597 470 HB2 ALA 59 1HB ALA 59 19.450 0.527 4.816 471 HB3 ALA 59 2HB ALA 59 19.685 -0.231 3.240 472 H GLY 60 H GLY 60 17.419 -0.284 6.508 473 HA2 GLY 60 2HA GLY 60 16.978 -1.649 8.643 474 HA3 GLY 60 1HA GLY 60 18.729 -1.700 8.743 475 H LYS 61 H LYS 61 19.831 0.462 8.831 476 HA LYS 61 HA LYS 61 18.398 2.100 10.798 477 HB2 LYS 61 2HB LYS 61 20.544 1.233 11.505 478 HB3 LYS 61 1HB LYS 61 21.334 1.920 10.092 479 HG2 LYS 61 2HG LYS 61 20.830 4.179 10.904 480 HG3 LYS 61 1HG LYS 61 20.043 3.488 12.326 481 HD2 LYS 61 2HD LYS 61 22.151 2.480 13.028 482 HD3 LYS 61 1HD LYS 61 22.947 3.089 11.575 483 HE2 LYS 61 2HE LYS 61 23.456 4.496 13.505 484 HE3 LYS 61 1HE LYS 61 22.527 5.391 12.306 485 HZ1 LYS 61 3HZ LYS 61 20.547 5.070 13.630 486 HZ2 LYS 61 1HZ LYS 61 21.754 5.792 14.569 487 HZ3 LYS 61 2HZ LYS 61 21.401 4.147 14.758 488 H GLY 62 H GLY 62 17.655 4.089 10.356 489 HA2 GLY 62 2HA GLY 62 17.420 6.179 9.424 490 HA3 GLY 62 1HA GLY 62 19.098 6.048 8.927 491 H VAL 63 H VAL 63 16.277 4.119 7.922 492 HA VAL 63 HA VAL 63 16.580 5.172 5.183 493 HB VAL 63 HB VAL 63 16.271 2.873 4.278 494 HG11 VAL 63 1HG1 VAL 63 18.700 3.182 6.050 495 HG12 VAL 63 2HG1 VAL 63 18.514 3.864 4.436 496 HG13 VAL 63 3HG1 VAL 63 18.563 2.115 4.652 497 HG21 VAL 63 3HG2 VAL 63 16.684 2.018 7.152 498 HG22 VAL 63 1HG2 VAL 63 16.662 0.937 5.758 499 HG23 VAL 63 2HG2 VAL 63 15.207 1.824 6.208 500 HA PRO 64 HA PRO 64 12.117 5.179 5.280 501 HB2 PRO 64 2HB PRO 64 11.528 5.271 2.654 502 HB3 PRO 64 1HB PRO 64 12.291 6.630 3.488 503 HG2 PRO 64 2HG PRO 64 13.538 4.540 1.739 504 HG3 PRO 64 1HG PRO 64 13.843 6.287 1.794 505 HD2 PRO 64 2HD PRO 64 15.436 4.405 3.011 506 HD3 PRO 64 1HD PRO 64 15.313 6.095 3.540 507 H GLY 65 H GLY 65 10.961 3.435 5.892 508 HA2 GLY 65 2HA GLY 65 11.317 0.799 5.020 509 HA3 GLY 65 1HA GLY 65 9.885 1.408 5.832 510 H LEU 66 H LEU 66 11.186 0.263 2.903 511 HA LEU 66 HA LEU 66 9.026 1.234 1.222 512 HG LEU 66 HG LEU 66 12.104 1.539 1.070 513 HB2 LEU 66 2HB LEU 66 11.223 -0.767 0.647 514 HB3 LEU 66 1HB LEU 66 10.126 -0.091 -0.544 515 HD11 LEU 66 1HD1 LEU 66 13.249 0.007 -0.479 516 HD12 LEU 66 2HD1 LEU 66 13.425 1.695 -0.959 517 HD13 LEU 66 3HD1 LEU 66 12.285 0.652 -1.810 518 HD21 LEU 66 3HD2 LEU 66 10.368 2.261 -1.294 519 HD22 LEU 66 1HD2 LEU 66 11.586 3.307 -0.557 520 HD23 LEU 66 2HD2 LEU 66 10.163 2.823 0.366 521 H TRP 67 H TRP 67 7.541 -0.205 0.092 522 HA TRP 67 HA TRP 67 6.771 -2.484 1.801 523 HD1 TRP 67 HD1 TRP 67 5.257 1.559 1.341 524 HE1 TRP 67 HE1 TRP 67 4.819 2.296 3.767 525 HE3 TRP 67 HE3 TRP 67 4.619 -3.039 3.493 526 HZ2 TRP 67 HZ2 TRP 67 4.273 1.094 6.257 527 HZ3 TRP 67 HZ3 TRP 67 4.144 -3.155 5.902 528 HH2 TRP 67 HH2 TRP 67 3.974 -1.127 7.256 529 HB2 TRP 67 2HB TRP 67 5.045 -0.705 0.057 530 HB3 TRP 67 1HB TRP 67 4.459 -2.096 0.968 531 H ARG 68 H ARG 68 6.486 -4.468 0.973 532 HA ARG 68 HA ARG 68 5.988 -4.887 -1.854 533 HE ARG 68 HE ARG 68 8.689 -8.225 -4.521 534 HB2 ARG 68 2HB ARG 68 8.457 -4.785 -1.731 535 HB3 ARG 68 1HB ARG 68 8.445 -6.069 -0.529 536 HG2 ARG 68 2HG ARG 68 7.748 -7.678 -2.086 537 HG3 ARG 68 1HG ARG 68 7.265 -6.452 -3.262 538 HD2 ARG 68 2HD ARG 68 9.727 -5.778 -3.327 539 HD3 ARG 68 1HD ARG 68 10.046 -7.283 -2.462 540 HH11 ARG 68 1HH1 ARG 68 11.169 -5.825 -4.497 541 HH12 ARG 68 2HH1 ARG 68 11.696 -6.200 -6.097 542 HH21 ARG 68 1HH2 ARG 68 9.366 -8.684 -6.569 543 HH22 ARG 68 2HH2 ARG 68 10.676 -7.797 -7.263 544 H LEU 69 H LEU 69 4.394 -6.369 -1.931 545 HA LEU 69 HA LEU 69 3.517 -7.637 0.448 546 HG LEU 69 HG LEU 69 3.155 -7.034 -3.179 547 HB2 LEU 69 2HB LEU 69 1.823 -8.746 -1.076 548 HB3 LEU 69 1HB LEU 69 1.823 -6.997 -1.019 549 HD11 LEU 69 1HD1 LEU 69 2.320 -9.933 -3.180 550 HD12 LEU 69 2HD1 LEU 69 3.973 -9.316 -3.125 551 HD13 LEU 69 3HD1 LEU 69 2.982 -9.055 -4.559 552 HD21 LEU 69 3HD2 LEU 69 0.784 -6.488 -3.094 553 HD22 LEU 69 1HD2 LEU 69 0.371 -8.199 -3.203 554 HD23 LEU 69 2HD2 LEU 69 1.170 -7.395 -4.556 555 H LEU 70 H LEU 70 2.769 -10.039 0.342 556 HA LEU 70 HA LEU 70 5.053 -11.654 0.521 557 HG LEU 70 HG LEU 70 2.332 -11.116 2.157 558 HB2 LEU 70 2HB LEU 70 2.183 -12.545 0.184 559 HB3 LEU 70 1HB LEU 70 3.503 -13.538 0.774 560 HD11 LEU 70 1HD1 LEU 70 1.634 -12.738 3.865 561 HD12 LEU 70 2HD1 LEU 70 2.228 -14.053 2.850 562 HD13 LEU 70 3HD1 LEU 70 0.884 -13.051 2.300 563 HD21 LEU 70 3HD2 LEU 70 4.724 -11.220 2.572 564 HD22 LEU 70 1HD2 LEU 70 4.597 -12.924 3.017 565 HD23 LEU 70 2HD2 LEU 70 3.836 -11.688 4.021 566 H GLU 71 H GLU 71 6.244 -11.584 -1.352 567 HA GLU 71 HA GLU 71 5.073 -12.547 -3.859 568 HB2 GLU 71 2HB GLU 71 6.416 -10.456 -3.833 569 HB3 GLU 71 1HB GLU 71 7.811 -11.377 -3.291 570 HG2 GLU 71 2HG GLU 71 7.719 -12.679 -5.394 571 HG3 GLU 71 1HG GLU 71 6.393 -11.651 -5.938 Start of MODEL 3 1 HA MET 1 HA MET 1 -8.821 -2.089 9.138 2 H1 MET 1 1H MET 1 -9.369 -3.587 10.924 3 H2 MET 1 2H MET 1 -9.895 -4.764 9.833 4 H3 MET 1 3H MET 1 -10.732 -3.298 9.965 5 HB2 MET 1 2HB MET 1 -6.926 -3.393 8.160 6 HB3 MET 1 1HB MET 1 -7.043 -3.508 9.909 7 HG2 MET 1 2HG MET 1 -6.502 -5.662 9.000 8 HG3 MET 1 1HG MET 1 -8.128 -5.708 9.671 9 HE1 MET 1 3HE MET 1 -5.936 -5.744 6.428 10 HE2 MET 1 1HE MET 1 -6.841 -4.241 6.229 11 HE3 MET 1 2HE MET 1 -7.151 -5.608 5.159 12 H SER 2 H SER 2 -10.980 -4.494 8.183 13 HA SER 2 HA SER 2 -10.327 -4.502 5.367 14 HG SER 2 HG SER 2 -10.259 -6.456 6.898 15 HB2 SER 2 2HB SER 2 -12.713 -5.671 6.827 16 HB3 SER 2 1HB SER 2 -12.325 -5.944 5.129 17 H GLU 3 H GLU 3 -10.505 -2.291 4.835 18 HA GLU 3 HA GLU 3 -13.256 -1.243 4.658 19 HB2 GLU 3 2HB GLU 3 -11.617 0.232 5.764 20 HB3 GLU 3 1HB GLU 3 -10.601 0.191 4.331 21 HG2 GLU 3 2HG GLU 3 -11.851 2.271 4.464 22 HG3 GLU 3 1HG GLU 3 -12.336 1.337 3.051 23 H SER 4 H SER 4 -14.026 -0.430 2.632 24 HA SER 4 HA SER 4 -13.680 -2.160 0.498 25 HG SER 4 HG SER 4 -14.328 -0.278 -1.722 26 HB2 SER 4 2HB SER 4 -15.642 -0.681 0.769 27 HB3 SER 4 1HB SER 4 -14.648 0.705 0.327 28 H ILE 5 H ILE 5 -11.964 0.866 1.107 29 HA ILE 5 HA ILE 5 -10.735 1.058 -1.452 30 HB ILE 5 HB ILE 5 -10.948 2.976 0.107 31 HG12 ILE 5 2HG1 ILE 5 -8.682 3.926 -0.315 32 HG13 ILE 5 1HG1 ILE 5 -8.121 2.323 -0.778 33 HG21 ILE 5 1HG2 ILE 5 -10.402 1.847 2.196 34 HG22 ILE 5 2HG2 ILE 5 -9.350 3.241 1.948 35 HG23 ILE 5 3HG2 ILE 5 -8.741 1.613 1.653 36 HD11 ILE 5 3HD1 ILE 5 -9.663 2.307 -2.656 37 HD12 ILE 5 1HD1 ILE 5 -8.612 3.722 -2.715 38 HD13 ILE 5 2HD1 ILE 5 -10.283 3.889 -2.176 39 H VAL 6 H VAL 6 -9.874 -0.698 1.465 40 HA VAL 6 HA VAL 6 -7.133 -1.065 1.050 41 HB VAL 6 HB VAL 6 -9.080 -2.972 2.372 42 HG11 VAL 6 1HG1 VAL 6 -7.113 -3.855 3.561 43 HG12 VAL 6 2HG1 VAL 6 -6.067 -2.817 2.590 44 HG13 VAL 6 3HG1 VAL 6 -6.992 -4.107 1.819 45 HG21 VAL 6 3HG2 VAL 6 -8.317 -1.916 4.472 46 HG22 VAL 6 1HG2 VAL 6 -9.130 -0.772 3.404 47 HG23 VAL 6 2HG2 VAL 6 -7.370 -0.761 3.534 48 H THR 7 H THR 7 -9.889 -2.894 -0.216 49 HA THR 7 HA THR 7 -8.588 -4.998 -1.476 50 HB THR 7 HB THR 7 -10.958 -3.458 -2.583 51 HG1 THR 7 HG1 THR 7 -12.208 -4.729 -1.296 52 HG21 THR 7 3HG2 THR 7 -10.050 -6.308 -3.048 53 HG22 THR 7 1HG2 THR 7 -9.989 -4.992 -4.223 54 HG23 THR 7 2HG2 THR 7 -11.546 -5.597 -3.656 55 H LYS 8 H LYS 8 -9.234 -1.725 -2.789 56 HA LYS 8 HA LYS 8 -7.862 -2.152 -5.233 57 HB2 LYS 8 2HB LYS 8 -9.477 -0.295 -4.933 58 HB3 LYS 8 1HB LYS 8 -8.353 0.490 -3.826 59 HG2 LYS 8 2HG LYS 8 -6.687 0.614 -5.658 60 HG3 LYS 8 1HG LYS 8 -7.879 -0.082 -6.753 61 HD2 LYS 8 2HD LYS 8 -9.356 1.863 -6.338 62 HD3 LYS 8 1HD LYS 8 -8.107 2.565 -5.303 63 HE2 LYS 8 2HE LYS 8 -6.551 2.573 -7.215 64 HE3 LYS 8 1HE LYS 8 -7.823 1.914 -8.242 65 HZ1 LYS 8 3HZ LYS 8 -9.135 3.939 -7.710 66 HZ2 LYS 8 1HZ LYS 8 -7.721 4.243 -8.586 67 HZ3 LYS 8 2HZ LYS 8 -7.777 4.572 -6.934 68 H ILE 9 H ILE 9 -6.813 -0.863 -2.091 69 HA ILE 9 HA ILE 9 -4.268 0.033 -2.750 70 HB ILE 9 HB ILE 9 -5.197 -1.310 -0.202 71 HG12 ILE 9 2HG1 ILE 9 -4.837 1.615 -0.932 72 HG13 ILE 9 1HG1 ILE 9 -6.376 0.777 -0.759 73 HG21 ILE 9 1HG2 ILE 9 -3.227 -0.300 0.882 74 HG22 ILE 9 2HG2 ILE 9 -2.646 0.234 -0.695 75 HG23 ILE 9 3HG2 ILE 9 -2.777 -1.489 -0.340 76 HD11 ILE 9 3HD1 ILE 9 -5.906 0.420 1.614 77 HD12 ILE 9 1HD1 ILE 9 -5.901 2.131 1.185 78 HD13 ILE 9 2HD1 ILE 9 -4.375 1.281 1.433 79 H ILE 10 H ILE 10 -5.227 -3.270 -1.769 80 HA ILE 10 HA ILE 10 -2.714 -4.490 -2.020 81 HB ILE 10 HB ILE 10 -5.427 -5.730 -2.549 82 HG12 ILE 10 2HG1 ILE 10 -3.768 -5.630 -0.010 83 HG13 ILE 10 1HG1 ILE 10 -5.235 -4.702 -0.308 84 HG21 ILE 10 1HG2 ILE 10 -2.765 -7.028 -1.939 85 HG22 ILE 10 2HG2 ILE 10 -3.657 -7.118 -3.458 86 HG23 ILE 10 3HG2 ILE 10 -4.313 -7.870 -2.006 87 HD11 ILE 10 3HD1 ILE 10 -6.515 -6.783 -0.440 88 HD12 ILE 10 1HD1 ILE 10 -5.682 -6.619 1.105 89 HD13 ILE 10 2HD1 ILE 10 -5.041 -7.701 -0.130 90 H SER 11 H SER 11 -5.286 -4.037 -4.446 91 HA SER 11 HA SER 11 -3.997 -5.288 -6.616 92 HG SER 11 HG SER 11 -5.552 -4.738 -8.782 93 HB2 SER 11 2HB SER 11 -6.350 -4.735 -6.751 94 HB3 SER 11 1HB SER 11 -6.000 -3.014 -6.594 95 H ILE 12 H ILE 12 -3.807 -1.934 -5.464 96 HA ILE 12 HA ILE 12 -2.223 -0.884 -7.540 97 HB ILE 12 HB ILE 12 -2.314 -0.072 -4.619 98 HG12 ILE 12 2HG1 ILE 12 -3.736 1.105 -7.028 99 HG13 ILE 12 1HG1 ILE 12 -4.488 0.068 -5.822 100 HG21 ILE 12 1HG2 ILE 12 -0.272 0.745 -5.689 101 HG22 ILE 12 2HG2 ILE 12 -1.378 2.075 -5.349 102 HG23 ILE 12 3HG2 ILE 12 -1.225 1.452 -6.992 103 HD11 ILE 12 3HD1 ILE 12 -5.029 2.392 -5.423 104 HD12 ILE 12 1HD1 ILE 12 -3.316 2.797 -5.332 105 HD13 ILE 12 2HD1 ILE 12 -4.042 1.758 -4.106 106 H VAL 13 H VAL 13 -1.319 -2.419 -4.457 107 HA VAL 13 HA VAL 13 1.467 -2.204 -4.692 108 HB VAL 13 HB VAL 13 -0.119 -4.435 -3.384 109 HG11 VAL 13 1HG1 VAL 13 2.772 -3.628 -2.999 110 HG12 VAL 13 2HG1 VAL 13 2.191 -5.115 -3.749 111 HG13 VAL 13 3HG1 VAL 13 1.903 -4.824 -2.034 112 HG21 VAL 13 3HG2 VAL 13 0.235 -3.169 -1.304 113 HG22 VAL 13 1HG2 VAL 13 -0.696 -2.245 -2.482 114 HG23 VAL 13 2HG2 VAL 13 1.009 -1.879 -2.223 115 H GLN 14 H GLN 14 -0.698 -4.831 -5.758 116 HA GLN 14 HA GLN 14 1.244 -6.489 -6.928 117 HB2 GLN 14 2HB GLN 14 -1.045 -7.225 -6.458 118 HB3 GLN 14 1HB GLN 14 -1.671 -6.115 -7.670 119 HG2 GLN 14 2HG GLN 14 -0.570 -7.365 -9.430 120 HG3 GLN 14 1HG GLN 14 0.171 -8.435 -8.241 121 HE21 GLN 14 1HE2 GLN 14 -0.781 -10.251 -9.133 122 HE22 GLN 14 2HE2 GLN 14 -2.464 -10.585 -8.983 123 H GLU 15 H GLU 15 -0.746 -3.929 -8.387 124 HA GLU 15 HA GLU 15 0.150 -4.129 -11.029 125 HB2 GLU 15 2HB GLU 15 -1.820 -2.828 -10.253 126 HB3 GLU 15 1HB GLU 15 -0.741 -1.644 -9.535 127 HG2 GLU 15 2HG GLU 15 -0.376 -2.194 -12.426 128 HG3 GLU 15 1HG GLU 15 -1.853 -1.359 -11.955 129 H ARG 16 H ARG 16 1.335 -1.952 -8.451 130 HA ARG 16 HA ARG 16 3.451 -0.852 -9.935 131 HE ARG 16 HE ARG 16 1.244 1.188 -10.314 132 HB2 ARG 16 2HB ARG 16 3.099 -1.138 -6.953 133 HB3 ARG 16 1HB ARG 16 4.395 -0.210 -7.699 134 HG2 ARG 16 2HG ARG 16 1.449 0.307 -8.094 135 HG3 ARG 16 1HG ARG 16 2.490 1.183 -6.974 136 HD2 ARG 16 2HD ARG 16 3.253 2.514 -8.607 137 HD3 ARG 16 1HD ARG 16 3.642 1.138 -9.635 138 HH11 ARG 16 1HH1 ARG 16 2.729 4.056 -9.087 139 HH12 ARG 16 2HH1 ARG 16 1.704 5.096 -10.011 140 HH21 ARG 16 1HH2 ARG 16 -0.068 2.518 -11.446 141 HH22 ARG 16 2HH2 ARG 16 0.119 4.240 -11.324 142 H GLN 17 H GLN 17 3.328 -3.758 -7.903 143 HA GLN 17 HA GLN 17 6.064 -4.424 -8.069 144 HB2 GLN 17 2HB GLN 17 3.565 -5.999 -7.580 145 HB3 GLN 17 1HB GLN 17 5.056 -6.868 -7.913 146 HG2 GLN 17 2HG GLN 17 6.124 -5.670 -6.017 147 HG3 GLN 17 1HG GLN 17 4.558 -4.938 -5.652 148 HE21 GLN 17 1HE2 GLN 17 6.286 -6.839 -4.130 149 HE22 GLN 17 2HE2 GLN 17 5.258 -8.180 -3.759 150 H ASN 18 H ASN 18 3.502 -4.644 -10.416 151 HA ASN 18 HA ASN 18 4.988 -6.443 -12.131 152 HB2 ASN 18 2HB ASN 18 2.378 -4.979 -12.507 153 HB3 ASN 18 1HB ASN 18 3.095 -6.005 -13.748 154 HD21 ASN 18 1HD2 ASN 18 0.583 -6.380 -12.408 155 HD22 ASN 18 2HD2 ASN 18 0.674 -7.899 -11.591 156 H MET 19 H MET 19 4.701 -2.966 -11.800 157 HA MET 19 HA MET 19 6.064 -2.559 -14.352 158 HB2 MET 19 2HB MET 19 6.029 -0.177 -13.851 159 HB3 MET 19 1HB MET 19 4.432 -0.881 -13.654 160 HG2 MET 19 2HG MET 19 4.524 -0.725 -11.326 161 HG3 MET 19 1HG MET 19 6.268 -0.466 -11.318 162 HE1 MET 19 3HE MET 19 7.449 1.795 -11.865 163 HE2 MET 19 1HE MET 19 6.632 3.172 -12.606 164 HE3 MET 19 2HE MET 19 6.804 1.661 -13.502 165 H ASP 20 H ASP 20 6.916 -2.436 -10.899 166 HA ASP 20 HA ASP 20 9.668 -1.710 -11.528 167 HB2 ASP 20 2HB ASP 20 8.220 -2.156 -8.913 168 HB3 ASP 20 1HB ASP 20 9.947 -1.827 -9.007 169 H ASP 21 H ASP 21 7.906 -4.479 -10.190 170 HA ASP 21 HA ASP 21 8.366 -6.684 -10.036 171 HB2 ASP 21 2HB ASP 21 10.514 -6.057 -12.072 172 HB3 ASP 21 1HB ASP 21 9.991 -7.678 -11.623 173 H GLY 22 H GLY 22 11.722 -5.530 -10.485 174 HA2 GLY 22 2HA GLY 22 12.738 -7.226 -8.441 175 HA3 GLY 22 1HA GLY 22 13.612 -5.916 -9.216 176 H ALA 23 H ALA 23 11.546 -3.944 -8.367 177 HA ALA 23 HA ALA 23 12.492 -3.611 -5.596 178 HB1 ALA 23 3HB ALA 23 11.456 -1.530 -7.523 179 HB2 ALA 23 1HB ALA 23 13.151 -1.846 -7.160 180 HB3 ALA 23 2HB ALA 23 12.084 -1.226 -5.902 181 HA PRO 24 HA PRO 24 8.286 -3.951 -4.123 182 HB2 PRO 24 2HB PRO 24 8.978 -2.323 -1.804 183 HB3 PRO 24 1HB PRO 24 8.628 -4.049 -1.884 184 HG2 PRO 24 2HG PRO 24 11.111 -3.059 -1.353 185 HG3 PRO 24 1HG PRO 24 10.834 -4.623 -2.144 186 HD2 PRO 24 2HD PRO 24 11.584 -1.984 -3.360 187 HD3 PRO 24 1HD PRO 24 12.166 -3.618 -3.758 188 H VAL 25 H VAL 25 6.529 -2.494 -3.174 189 HA VAL 25 HA VAL 25 6.240 -0.267 -4.984 190 HB VAL 25 HB VAL 25 4.320 -1.261 -2.869 191 HG11 VAL 25 1HG1 VAL 25 2.598 -0.175 -4.272 192 HG12 VAL 25 2HG1 VAL 25 3.871 0.468 -5.309 193 HG13 VAL 25 3HG1 VAL 25 3.763 0.980 -3.624 194 HG21 VAL 25 3HG2 VAL 25 4.899 -3.055 -4.399 195 HG22 VAL 25 1HG2 VAL 25 4.557 -2.019 -5.786 196 HG23 VAL 25 2HG2 VAL 25 3.251 -2.510 -4.706 197 H LYS 26 H LYS 26 5.734 1.889 -4.396 198 HA LYS 26 HA LYS 26 7.026 2.725 -1.895 199 HB2 LYS 26 2HB LYS 26 6.348 4.368 -4.352 200 HB3 LYS 26 1HB LYS 26 7.268 4.920 -2.964 201 HG2 LYS 26 2HG LYS 26 8.844 4.467 -4.666 202 HG3 LYS 26 1HG LYS 26 8.972 3.133 -3.514 203 HD2 LYS 26 2HD LYS 26 7.566 1.743 -4.987 204 HD3 LYS 26 1HD LYS 26 7.464 3.074 -6.142 205 HE2 LYS 26 2HE LYS 26 10.027 1.732 -5.274 206 HE3 LYS 26 1HE LYS 26 9.142 1.349 -6.750 207 HZ1 LYS 26 3HZ LYS 26 10.273 4.014 -6.095 208 HZ2 LYS 26 1HZ LYS 26 9.504 3.577 -7.535 209 HZ3 LYS 26 2HZ LYS 26 10.988 2.883 -7.126 210 H THR 27 H THR 27 6.032 4.213 -0.489 211 HA THR 27 HA THR 27 3.350 3.777 0.070 212 HB THR 27 HB THR 27 5.044 6.135 0.939 213 HG1 THR 27 HG1 THR 27 5.873 4.793 2.370 214 HG21 THR 27 3HG2 THR 27 2.500 5.026 2.151 215 HG22 THR 27 1HG2 THR 27 2.669 6.581 1.335 216 HG23 THR 27 2HG2 THR 27 3.509 6.289 2.857 217 H ARG 28 H ARG 28 4.779 6.361 -1.883 218 HA ARG 28 HA ARG 28 2.522 8.042 -2.028 219 HE ARG 28 HE ARG 28 2.489 10.291 -3.407 220 HB2 ARG 28 2HB ARG 28 4.839 7.652 -3.921 221 HB3 ARG 28 1HB ARG 28 3.576 8.840 -4.213 222 HG2 ARG 28 2HG ARG 28 5.445 8.758 -1.847 223 HG3 ARG 28 1HG ARG 28 5.502 9.890 -3.200 224 HD2 ARG 28 2HD ARG 28 3.359 9.654 -1.084 225 HD3 ARG 28 1HD ARG 28 4.466 11.001 -1.343 226 HH11 ARG 28 1HH1 ARG 28 3.718 12.572 -1.123 227 HH12 ARG 28 2HH1 ARG 28 2.737 13.857 -1.737 228 HH21 ARG 28 1HH2 ARG 28 1.255 11.944 -4.170 229 HH22 ARG 28 2HH2 ARG 28 1.405 13.521 -3.468 230 H ASP 29 H ASP 29 3.465 5.288 -4.084 231 HA ASP 29 HA ASP 29 1.676 5.668 -6.171 232 HB2 ASP 29 2HB ASP 29 2.695 3.078 -4.989 233 HB3 ASP 29 1HB ASP 29 1.842 3.195 -6.526 234 H ILE 30 H ILE 30 1.105 3.972 -3.090 235 HA ILE 30 HA ILE 30 -1.539 3.138 -3.697 236 HB ILE 30 HB ILE 30 -0.217 3.612 -1.014 237 HG12 ILE 30 2HG1 ILE 30 -0.330 1.059 -0.944 238 HG13 ILE 30 1HG1 ILE 30 -0.749 1.117 -2.652 239 HG21 ILE 30 1HG2 ILE 30 -2.616 3.877 -0.746 240 HG22 ILE 30 2HG2 ILE 30 -2.091 2.358 -0.021 241 HG23 ILE 30 3HG2 ILE 30 -2.906 2.350 -1.585 242 HD11 ILE 30 3HD1 ILE 30 1.392 2.175 -3.146 243 HD12 ILE 30 1HD1 ILE 30 1.608 0.638 -2.309 244 HD13 ILE 30 2HD1 ILE 30 1.803 2.153 -1.429 245 H ALA 31 H ALA 31 -0.320 5.959 -1.886 246 HA ALA 31 HA ALA 31 -2.787 7.081 -1.183 247 HB1 ALA 31 3HB ALA 31 -0.669 7.769 -0.189 248 HB2 ALA 31 1HB ALA 31 -1.540 9.162 -0.832 249 HB3 ALA 31 2HB ALA 31 -0.170 8.490 -1.719 250 H ASP 32 H ASP 32 -0.663 8.069 -3.873 251 HA ASP 32 HA ASP 32 -2.397 9.946 -5.006 252 HB2 ASP 32 2HB ASP 32 -0.137 8.336 -6.206 253 HB3 ASP 32 1HB ASP 32 -0.949 9.645 -7.059 254 H ALA 33 H ALA 33 -2.044 6.474 -5.760 255 HA ALA 33 HA ALA 33 -3.851 6.571 -7.992 256 HB1 ALA 33 3HB ALA 33 -2.061 4.910 -7.865 257 HB2 ALA 33 1HB ALA 33 -3.642 4.144 -8.029 258 HB3 ALA 33 2HB ALA 33 -2.835 4.177 -6.459 259 H ALA 34 H ALA 34 -4.205 5.767 -4.565 260 HA ALA 34 HA ALA 34 -6.949 4.872 -4.913 261 HB1 ALA 34 3HB ALA 34 -6.945 4.511 -2.506 262 HB2 ALA 34 1HB ALA 34 -5.392 5.337 -2.369 263 HB3 ALA 34 2HB ALA 34 -5.501 3.808 -3.240 264 H GLY 35 H GLY 35 -5.349 7.862 -4.266 265 HA2 GLY 35 2HA GLY 35 -6.306 9.993 -4.221 266 HA3 GLY 35 1HA GLY 35 -7.898 9.255 -4.104 267 H LEU 36 H LEU 36 -5.405 8.252 -1.908 268 HA LEU 36 HA LEU 36 -6.936 9.443 0.312 269 HG LEU 36 HG LEU 36 -6.872 6.409 -0.784 270 HB2 LEU 36 2HB LEU 36 -4.874 7.232 0.383 271 HB3 LEU 36 1HB LEU 36 -5.866 7.764 1.727 272 HD11 LEU 36 1HD1 LEU 36 -5.665 4.879 0.674 273 HD12 LEU 36 2HD1 LEU 36 -7.395 4.540 0.720 274 HD13 LEU 36 3HD1 LEU 36 -6.630 5.403 2.056 275 HD21 LEU 36 3HD2 LEU 36 -8.516 7.998 0.076 276 HD22 LEU 36 1HD2 LEU 36 -8.371 7.291 1.689 277 HD23 LEU 36 2HD2 LEU 36 -9.040 6.338 0.362 278 H SER 37 H SER 37 -5.496 9.893 2.321 279 HA SER 37 HA SER 37 -3.256 11.608 1.497 280 HG SER 37 HG SER 37 -3.440 13.732 3.816 281 HB2 SER 37 2HB SER 37 -4.972 12.673 2.877 282 HB3 SER 37 1HB SER 37 -4.753 11.455 4.133 283 H ILE 38 H ILE 38 -1.219 11.514 2.541 284 HA ILE 38 HA ILE 38 -0.094 9.000 2.699 285 HB ILE 38 HB ILE 38 0.924 11.535 3.992 286 HG12 ILE 38 2HG1 ILE 38 0.567 11.793 1.588 287 HG13 ILE 38 1HG1 ILE 38 2.290 11.736 1.932 288 HG21 ILE 38 1HG2 ILE 38 2.063 9.607 4.941 289 HG22 ILE 38 2HG2 ILE 38 3.153 10.488 3.873 290 HG23 ILE 38 3HG2 ILE 38 2.409 8.987 3.326 291 HD11 ILE 38 3HD1 ILE 38 1.712 10.464 -0.066 292 HD12 ILE 38 1HD1 ILE 38 0.640 9.441 0.895 293 HD13 ILE 38 2HD1 ILE 38 2.379 9.424 1.197 294 H TYR 39 H TYR 39 -0.990 11.060 5.491 295 HA TYR 39 HA TYR 39 -0.179 9.424 7.560 296 HD1 TYR 39 HD1 TYR 39 -0.326 9.947 10.075 297 HD2 TYR 39 HD2 TYR 39 -4.298 10.867 8.837 298 HE1 TYR 39 HE1 TYR 39 -1.165 9.307 12.297 299 HE2 TYR 39 HE2 TYR 39 -5.143 10.230 11.054 300 HH TYR 39 HH TYR 39 -4.528 8.930 12.954 301 HB2 TYR 39 2HB TYR 39 -0.982 11.618 8.058 302 HB3 TYR 39 1HB TYR 39 -2.561 11.273 7.361 303 H GLN 40 H GLN 40 -3.367 9.337 5.939 304 HA GLN 40 HA GLN 40 -4.344 7.169 7.507 305 HB2 GLN 40 2HB GLN 40 -5.814 8.783 6.327 306 HB3 GLN 40 1HB GLN 40 -5.297 8.105 4.788 307 HG2 GLN 40 2HG GLN 40 -6.230 5.931 5.448 308 HG3 GLN 40 1HG GLN 40 -6.779 6.637 6.966 309 HE21 GLN 40 1HE2 GLN 40 -7.296 6.456 3.541 310 HE22 GLN 40 2HE2 GLN 40 -8.853 7.200 3.539 311 H VAL 41 H VAL 41 -2.782 7.354 4.336 312 HA VAL 41 HA VAL 41 -3.160 4.698 3.515 313 HB VAL 41 HB VAL 41 -0.941 6.638 2.831 314 HG11 VAL 41 1HG1 VAL 41 -0.521 5.187 0.868 315 HG12 VAL 41 2HG1 VAL 41 -1.637 3.995 1.534 316 HG13 VAL 41 3HG1 VAL 41 -0.148 4.388 2.396 317 HG21 VAL 41 3HG2 VAL 41 -3.176 7.377 2.180 318 HG22 VAL 41 1HG2 VAL 41 -3.453 5.844 1.350 319 HG23 VAL 41 2HG2 VAL 41 -2.218 6.954 0.762 320 H ARG 42 H ARG 42 -0.347 6.165 5.172 321 HA ARG 42 HA ARG 42 1.204 3.846 5.322 322 HE ARG 42 HE ARG 42 4.128 6.822 8.062 323 HB2 ARG 42 2HB ARG 42 2.495 4.955 7.050 324 HB3 ARG 42 1HB ARG 42 2.079 6.103 5.785 325 HG2 ARG 42 2HG ARG 42 0.275 6.993 7.196 326 HG3 ARG 42 1HG ARG 42 0.722 5.858 8.470 327 HD2 ARG 42 2HD ARG 42 2.387 8.117 7.359 328 HD3 ARG 42 1HD ARG 42 1.684 8.005 8.972 329 HH11 ARG 42 1HH1 ARG 42 1.570 6.513 10.350 330 HH12 ARG 42 2HH1 ARG 42 2.523 5.595 11.452 331 HH21 ARG 42 1HH2 ARG 42 5.338 5.659 9.478 332 HH22 ARG 42 2HH2 ARG 42 4.639 5.115 10.964 333 H LEU 43 H LEU 43 -1.368 4.986 7.476 334 HA LEU 43 HA LEU 43 -1.023 3.135 9.560 335 HG LEU 43 HG LEU 43 -2.040 6.105 9.310 336 HB2 LEU 43 2HB LEU 43 -3.584 4.364 8.519 337 HB3 LEU 43 1HB LEU 43 -3.426 3.520 10.049 338 HD11 LEU 43 1HD1 LEU 43 -4.439 6.385 9.678 339 HD12 LEU 43 2HD1 LEU 43 -3.502 7.123 10.975 340 HD13 LEU 43 3HD1 LEU 43 -4.302 5.572 11.239 341 HD21 LEU 43 3HD2 LEU 43 -1.333 6.154 11.661 342 HD22 LEU 43 1HD2 LEU 43 -0.650 4.779 10.792 343 HD23 LEU 43 2HD2 LEU 43 -2.009 4.543 11.892 344 H TYR 44 H TYR 44 -3.072 2.916 6.632 345 HA TYR 44 HA TYR 44 -4.058 0.323 7.026 346 HD1 TYR 44 HD2 TYR 44 -6.151 0.715 6.733 347 HD2 TYR 44 HD1 TYR 44 -4.852 3.334 3.637 348 HE1 TYR 44 HE2 TYR 44 -8.253 1.980 6.923 349 HE2 TYR 44 HE1 TYR 44 -6.947 4.601 3.817 350 HH TYR 44 HH TYR 44 -9.244 4.261 4.598 351 HB2 TYR 44 2HB TYR 44 -3.381 1.724 4.424 352 HB3 TYR 44 1HB TYR 44 -4.286 0.220 4.528 353 H LEU 45 H LEU 45 -1.103 1.393 5.369 354 HA LEU 45 HA LEU 45 -0.234 -1.125 4.468 355 HG LEU 45 HG LEU 45 -0.315 1.825 3.451 356 HB2 LEU 45 2HB LEU 45 1.418 1.309 5.160 357 HB3 LEU 45 1HB LEU 45 1.954 -0.044 4.179 358 HD11 LEU 45 1HD1 LEU 45 2.502 1.700 2.388 359 HD12 LEU 45 2HD1 LEU 45 1.811 2.990 3.374 360 HD13 LEU 45 3HD1 LEU 45 1.201 2.704 1.745 361 HD21 LEU 45 3HD2 LEU 45 1.017 -0.370 1.862 362 HD22 LEU 45 1HD2 LEU 45 -0.198 0.751 1.249 363 HD23 LEU 45 2HD2 LEU 45 -0.621 -0.402 2.513 364 H GLU 46 H GLU 46 0.587 0.653 7.452 365 HA GLU 46 HA GLU 46 2.352 -1.201 8.576 366 HB2 GLU 46 2HB GLU 46 0.375 0.650 9.925 367 HB3 GLU 46 1HB GLU 46 1.617 -0.249 10.786 368 HG2 GLU 46 2HG GLU 46 3.344 0.931 9.482 369 HG3 GLU 46 1HG GLU 46 2.080 1.866 8.685 370 H GLN 47 H GLN 47 -1.177 -0.927 9.046 371 HA GLN 47 HA GLN 47 -1.506 -3.178 10.687 372 HB2 GLN 47 2HB GLN 47 -3.473 -1.965 8.727 373 HB3 GLN 47 1HB GLN 47 -3.886 -3.099 10.007 374 HG2 GLN 47 2HG GLN 47 -2.706 -0.355 10.430 375 HG3 GLN 47 1HG GLN 47 -4.409 -0.770 10.594 376 HE21 GLN 47 1HE2 GLN 47 -2.559 0.315 12.568 377 HE22 GLN 47 2HE2 GLN 47 -2.575 -0.798 13.891 378 H LEU 48 H LEU 48 -1.585 -2.907 7.141 379 HA LEU 48 HA LEU 48 -2.282 -5.559 6.548 380 HG LEU 48 HG LEU 48 -3.040 -3.015 5.181 381 HB2 LEU 48 2HB LEU 48 -0.618 -3.560 5.016 382 HB3 LEU 48 1HB LEU 48 -1.039 -5.136 4.370 383 HD11 LEU 48 1HD1 LEU 48 -3.425 -2.706 2.796 384 HD12 LEU 48 2HD1 LEU 48 -2.152 -3.871 2.425 385 HD13 LEU 48 3HD1 LEU 48 -1.748 -2.344 3.210 386 HD21 LEU 48 3HD2 LEU 48 -4.676 -4.447 4.064 387 HD22 LEU 48 1HD2 LEU 48 -3.908 -5.289 5.408 388 HD23 LEU 48 2HD2 LEU 48 -3.423 -5.649 3.751 389 H HIS 49 H HIS 49 0.929 -4.123 7.148 390 HA HIS 49 HA HIS 49 2.381 -6.536 6.756 391 HD1 HIS 49 HD1 HIS 49 5.084 -6.890 6.847 392 HD2 HIS 49 HD2 HIS 49 4.825 -4.565 10.282 393 HE1 HIS 49 HE1 HIS 49 6.964 -7.654 8.321 394 HE2 HIS 49 HE2 HIS 49 6.653 -6.383 10.465 395 HB2 HIS 49 2HB HIS 49 3.619 -4.491 6.733 396 HB3 HIS 49 1HB HIS 49 3.025 -4.032 8.325 397 H ASP 50 H ASP 50 0.836 -5.098 9.583 398 HA ASP 50 HA ASP 50 1.900 -6.859 11.519 399 HB2 ASP 50 2HB ASP 50 0.917 -4.658 12.041 400 HB3 ASP 50 1HB ASP 50 -0.676 -5.265 11.598 401 H VAL 51 H VAL 51 -1.164 -6.963 9.689 402 HA VAL 51 HA VAL 51 -2.053 -9.374 10.990 403 HB VAL 51 HB VAL 51 -3.910 -9.366 9.389 404 HG11 VAL 51 1HG1 VAL 51 -4.087 -7.992 11.394 405 HG12 VAL 51 2HG1 VAL 51 -4.916 -7.221 10.042 406 HG13 VAL 51 3HG1 VAL 51 -3.331 -6.638 10.553 407 HG21 VAL 51 3HG2 VAL 51 -2.476 -7.027 8.116 408 HG22 VAL 51 1HG2 VAL 51 -4.112 -7.558 7.720 409 HG23 VAL 51 2HG2 VAL 51 -2.741 -8.615 7.394 410 H GLY 52 H GLY 52 0.136 -8.796 8.453 411 HA2 GLY 52 2HA GLY 52 1.498 -10.542 7.582 412 HA3 GLY 52 1HA GLY 52 0.198 -11.680 7.877 413 H VAL 53 H VAL 53 0.398 -8.633 6.028 414 HA VAL 53 HA VAL 53 -0.410 -10.123 3.603 415 HB VAL 53 HB VAL 53 -1.231 -7.305 4.367 416 HG11 VAL 53 1HG1 VAL 53 -2.603 -7.346 2.324 417 HG12 VAL 53 2HG1 VAL 53 -1.911 -8.913 1.897 418 HG13 VAL 53 3HG1 VAL 53 -0.881 -7.479 1.962 419 HG21 VAL 53 3HG2 VAL 53 -3.512 -8.204 4.458 420 HG22 VAL 53 1HG2 VAL 53 -2.458 -9.011 5.621 421 HG23 VAL 53 2HG2 VAL 53 -2.893 -9.821 4.116 422 H LEU 54 H LEU 54 1.307 -7.250 4.832 423 HA LEU 54 HA LEU 54 2.825 -7.141 2.301 424 HG LEU 54 HG LEU 54 0.401 -5.242 2.868 425 HB2 LEU 54 2HB LEU 54 2.322 -4.989 4.358 426 HB3 LEU 54 1HB LEU 54 3.391 -4.800 2.982 427 HD11 LEU 54 1HD1 LEU 54 1.005 -3.002 3.590 428 HD12 LEU 54 2HD1 LEU 54 0.352 -2.969 1.954 429 HD13 LEU 54 3HD1 LEU 54 2.092 -2.826 2.211 430 HD21 LEU 54 3HD2 LEU 54 2.379 -4.843 0.619 431 HD22 LEU 54 1HD2 LEU 54 0.624 -4.903 0.455 432 HD23 LEU 54 2HD2 LEU 54 1.508 -6.332 0.982 433 H GLU 55 H GLU 55 4.990 -7.203 2.276 434 HA GLU 55 HA GLU 55 6.479 -7.809 4.707 435 HB2 GLU 55 2HB GLU 55 6.839 -9.148 2.634 436 HB3 GLU 55 1HB GLU 55 7.380 -7.695 1.806 437 HG2 GLU 55 2HG GLU 55 9.271 -7.524 3.376 438 HG3 GLU 55 1HG GLU 55 8.734 -9.008 4.162 439 H LYS 56 H LYS 56 7.516 -6.224 5.802 440 HA LYS 56 HA LYS 56 7.424 -3.526 4.717 441 HB2 LYS 56 2HB LYS 56 6.718 -4.239 7.086 442 HB3 LYS 56 1HB LYS 56 8.435 -4.314 7.451 443 HG2 LYS 56 2HG LYS 56 7.334 -1.805 6.266 444 HG3 LYS 56 1HG LYS 56 7.010 -2.159 7.961 445 HD2 LYS 56 2HD LYS 56 9.427 -2.334 8.380 446 HD3 LYS 56 1HD LYS 56 9.745 -1.973 6.681 447 HE2 LYS 56 2HE LYS 56 8.886 0.230 6.894 448 HE3 LYS 56 1HE LYS 56 8.185 -0.119 8.474 449 HZ1 LYS 56 3HZ LYS 56 11.103 -0.122 7.928 450 HZ2 LYS 56 1HZ LYS 56 10.341 -0.230 9.435 451 HZ3 LYS 56 2HZ LYS 56 10.256 1.207 8.549 452 H VAL 57 H VAL 57 9.026 -3.311 3.229 453 HA VAL 57 HA VAL 57 11.744 -4.200 3.836 454 HB VAL 57 HB VAL 57 10.627 -3.006 1.286 455 HG11 VAL 57 1HG1 VAL 57 13.043 -2.716 1.453 456 HG12 VAL 57 2HG1 VAL 57 12.639 -3.907 0.217 457 HG13 VAL 57 3HG1 VAL 57 13.240 -4.437 1.789 458 HG21 VAL 57 3HG2 VAL 57 11.109 -5.898 2.019 459 HG22 VAL 57 1HG2 VAL 57 10.617 -5.308 0.430 460 HG23 VAL 57 2HG2 VAL 57 9.537 -5.123 1.812 461 H ASN 58 H ASN 58 13.556 -2.854 3.845 462 HA ASN 58 HA ASN 58 13.107 0.054 3.657 463 HB2 ASN 58 2HB ASN 58 13.191 -0.709 6.064 464 HB3 ASN 58 1HB ASN 58 14.844 -1.243 5.780 465 HD21 ASN 58 1HD2 ASN 58 13.316 1.668 4.494 466 HD22 ASN 58 2HD2 ASN 58 14.331 2.780 5.332 467 H ALA 59 H ALA 59 14.172 0.367 1.724 468 HA ALA 59 HA ALA 59 16.599 -0.933 1.000 469 HB1 ALA 59 3HB ALA 59 15.370 1.583 -0.132 470 HB2 ALA 59 1HB ALA 59 15.068 -0.064 -0.686 471 HB3 ALA 59 2HB ALA 59 16.670 0.649 -0.874 472 H GLY 60 H GLY 60 18.240 -0.659 2.456 473 HA2 GLY 60 2HA GLY 60 20.162 0.408 3.209 474 HA3 GLY 60 1HA GLY 60 19.595 1.902 2.485 475 H LYS 61 H LYS 61 18.303 3.310 3.696 476 HA LYS 61 HA LYS 61 17.192 2.737 6.226 477 HB2 LYS 61 2HB LYS 61 19.611 2.593 6.853 478 HB3 LYS 61 1HB LYS 61 19.805 4.270 6.370 479 HG2 LYS 61 2HG LYS 61 19.599 4.140 8.760 480 HG3 LYS 61 1HG LYS 61 18.173 4.934 8.094 481 HD2 LYS 61 2HD LYS 61 17.449 3.419 9.801 482 HD3 LYS 61 1HD LYS 61 16.963 2.748 8.246 483 HE2 LYS 61 2HE LYS 61 19.514 1.919 9.621 484 HE3 LYS 61 1HE LYS 61 17.971 1.147 9.975 485 HZ1 LYS 61 3HZ LYS 61 19.336 -0.019 8.293 486 HZ2 LYS 61 1HZ LYS 61 19.154 1.297 7.254 487 HZ3 LYS 61 2HZ LYS 61 17.801 0.405 7.732 488 H GLY 62 H GLY 62 18.597 5.192 4.107 489 HA2 GLY 62 2HA GLY 62 17.359 7.474 5.171 490 HA3 GLY 62 1HA GLY 62 17.906 7.299 3.513 491 H VAL 63 H VAL 63 16.054 5.022 3.018 492 HA VAL 63 HA VAL 63 13.787 6.586 2.201 493 HB VAL 63 HB VAL 63 12.908 4.506 1.234 494 HG11 VAL 63 1HG1 VAL 63 15.849 4.921 0.673 495 HG12 VAL 63 2HG1 VAL 63 14.516 5.829 -0.040 496 HG13 VAL 63 3HG1 VAL 63 14.696 4.113 -0.388 497 HG21 VAL 63 3HG2 VAL 63 15.309 3.185 2.517 498 HG22 VAL 63 1HG2 VAL 63 14.216 2.423 1.360 499 HG23 VAL 63 2HG2 VAL 63 13.617 2.919 2.941 500 HA PRO 64 HA PRO 64 11.211 6.074 5.764 501 HB2 PRO 64 2HB PRO 64 8.746 6.340 4.596 502 HB3 PRO 64 1HB PRO 64 9.833 7.695 4.916 503 HG2 PRO 64 2HG PRO 64 9.397 6.178 2.365 504 HG3 PRO 64 1HG PRO 64 9.534 7.930 2.615 505 HD2 PRO 64 2HD PRO 64 11.601 6.467 1.700 506 HD3 PRO 64 1HD PRO 64 11.849 7.850 2.788 507 H GLY 65 H GLY 65 10.371 4.133 2.890 508 HA2 GLY 65 2HA GLY 65 10.437 1.662 4.095 509 HA3 GLY 65 1HA GLY 65 8.796 2.231 4.353 510 H LEU 66 H LEU 66 9.603 -0.070 2.853 511 HA LEU 66 HA LEU 66 8.380 0.612 0.260 512 HG LEU 66 HG LEU 66 11.366 1.182 0.357 513 HB2 LEU 66 2HB LEU 66 10.757 -1.199 0.724 514 HB3 LEU 66 1HB LEU 66 9.839 -1.174 -0.767 515 HD11 LEU 66 1HD1 LEU 66 12.038 -0.692 -1.912 516 HD12 LEU 66 2HD1 LEU 66 12.889 -0.559 -0.373 517 HD13 LEU 66 3HD1 LEU 66 12.915 0.786 -1.514 518 HD21 LEU 66 3HD2 LEU 66 9.963 0.808 -2.294 519 HD22 LEU 66 1HD2 LEU 66 10.930 2.209 -1.827 520 HD23 LEU 66 2HD2 LEU 66 9.427 1.851 -0.975 521 H TRP 67 H TRP 67 6.883 -0.902 -0.501 522 HA TRP 67 HA TRP 67 6.113 -2.927 1.511 523 HD1 TRP 67 HD1 TRP 67 4.762 1.136 0.343 524 HE1 TRP 67 HE1 TRP 67 4.830 2.469 2.542 525 HE3 TRP 67 HE3 TRP 67 4.406 -2.747 3.653 526 HZ2 TRP 67 HZ2 TRP 67 4.756 1.943 5.315 527 HZ3 TRP 67 HZ3 TRP 67 4.416 -2.245 6.062 528 HH2 TRP 67 HH2 TRP 67 4.587 0.052 6.875 529 HB2 TRP 67 2HB TRP 67 4.263 -1.343 -0.288 530 HB3 TRP 67 1HB TRP 67 3.793 -2.427 1.023 531 H ARG 68 H ARG 68 6.084 -4.951 0.883 532 HA ARG 68 HA ARG 68 5.619 -5.643 -1.961 533 HE ARG 68 HE ARG 68 7.946 -10.556 -1.346 534 HB2 ARG 68 2HB ARG 68 7.933 -5.994 -1.696 535 HB3 ARG 68 1HB ARG 68 7.750 -6.577 -0.047 536 HG2 ARG 68 2HG ARG 68 6.699 -8.636 -0.926 537 HG3 ARG 68 1HG ARG 68 7.002 -8.059 -2.566 538 HD2 ARG 68 2HD ARG 68 9.355 -8.190 -2.275 539 HD3 ARG 68 1HD ARG 68 9.199 -8.393 -0.529 540 HH11 ARG 68 1HH1 ARG 68 10.908 -9.234 -2.500 541 HH12 ARG 68 2HH1 ARG 68 11.541 -10.774 -2.955 542 HH21 ARG 68 1HH2 ARG 68 8.765 -12.507 -1.913 543 HH22 ARG 68 2HH2 ARG 68 10.331 -12.615 -2.631 544 H LEU 69 H LEU 69 3.700 -6.775 -2.065 545 HA LEU 69 HA LEU 69 2.477 -7.884 0.229 546 HG LEU 69 HG LEU 69 2.606 -7.734 -3.496 547 HB2 LEU 69 2HB LEU 69 0.822 -8.871 -1.344 548 HB3 LEU 69 1HB LEU 69 1.068 -7.151 -1.528 549 HD11 LEU 69 1HD1 LEU 69 1.182 -10.386 -3.254 550 HD12 LEU 69 2HD1 LEU 69 2.910 -10.109 -3.042 551 HD13 LEU 69 3HD1 LEU 69 2.168 -9.861 -4.621 552 HD21 LEU 69 3HD2 LEU 69 -0.349 -8.324 -3.671 553 HD22 LEU 69 1HD2 LEU 69 0.703 -7.939 -5.034 554 HD23 LEU 69 2HD2 LEU 69 0.411 -6.736 -3.778 555 H LEU 70 H LEU 70 2.028 -10.052 0.798 556 HA LEU 70 HA LEU 70 4.253 -11.842 0.287 557 HG LEU 70 HG LEU 70 3.258 -10.371 2.914 558 HB2 LEU 70 2HB LEU 70 1.825 -12.172 2.060 559 HB3 LEU 70 1HB LEU 70 3.201 -13.261 2.014 560 HD11 LEU 70 1HD1 LEU 70 3.706 -11.288 5.133 561 HD12 LEU 70 2HD1 LEU 70 3.538 -12.926 4.498 562 HD13 LEU 70 3HD1 LEU 70 2.147 -11.840 4.515 563 HD21 LEU 70 3HD2 LEU 70 5.577 -10.819 3.573 564 HD22 LEU 70 1HD2 LEU 70 5.351 -10.983 1.831 565 HD23 LEU 70 2HD2 LEU 70 5.474 -12.424 2.843 566 H GLU 71 H GLU 71 3.917 -14.131 -0.217 567 HA GLU 71 HA GLU 71 2.494 -14.485 -2.616 568 HB2 GLU 71 2HB GLU 71 3.146 -16.894 -2.376 569 HB3 GLU 71 1HB GLU 71 4.475 -15.754 -2.230 570 HG2 GLU 71 2HG GLU 71 4.164 -15.952 0.295 571 HG3 GLU 71 1HG GLU 71 3.140 -17.345 -0.057 Start of MODEL 4 1 HA MET 1 HA MET 1 -19.867 1.133 1.297 2 H1 MET 1 1H MET 1 -21.284 -0.054 2.835 3 H2 MET 1 2H MET 1 -20.512 1.236 3.602 4 H3 MET 1 3H MET 1 -19.973 -0.344 3.865 5 HB2 MET 1 2HB MET 1 -17.624 0.270 3.147 6 HB3 MET 1 1HB MET 1 -17.422 1.079 1.599 7 HG2 MET 1 2HG MET 1 -18.714 2.217 4.070 8 HG3 MET 1 1HG MET 1 -17.146 2.658 3.396 9 HE1 MET 1 3HE MET 1 -17.797 5.226 3.427 10 HE2 MET 1 1HE MET 1 -19.358 4.815 4.136 11 HE3 MET 1 2HE MET 1 -19.279 5.871 2.723 12 H SER 2 H SER 2 -20.297 -0.289 -0.285 13 HA SER 2 HA SER 2 -20.001 -3.112 0.021 14 HG SER 2 HG SER 2 -22.631 -1.731 -1.963 15 HB2 SER 2 2HB SER 2 -20.558 -1.459 -2.456 16 HB3 SER 2 1HB SER 2 -20.665 -3.219 -2.378 17 H GLU 3 H GLU 3 -18.190 -0.701 -1.874 18 HA GLU 3 HA GLU 3 -16.264 -2.660 -2.765 19 HB2 GLU 3 2HB GLU 3 -16.342 0.355 -3.008 20 HB3 GLU 3 1HB GLU 3 -15.058 -0.642 -3.681 21 HG2 GLU 3 2HG GLU 3 -16.692 -1.811 -5.078 22 HG3 GLU 3 1HG GLU 3 -17.982 -0.817 -4.405 23 H SER 4 H SER 4 -13.937 -2.463 -2.335 24 HA SER 4 HA SER 4 -13.455 -1.729 0.488 25 HG SER 4 HG SER 4 -11.799 -3.826 1.597 26 HB2 SER 4 2HB SER 4 -13.412 -4.134 0.258 27 HB3 SER 4 1HB SER 4 -12.312 -4.031 -1.117 28 H ILE 5 H ILE 5 -12.270 0.086 0.543 29 HA ILE 5 HA ILE 5 -10.343 0.866 -1.391 30 HB ILE 5 HB ILE 5 -10.542 1.707 1.516 31 HG12 ILE 5 2HG1 ILE 5 -11.675 2.992 -0.989 32 HG13 ILE 5 1HG1 ILE 5 -12.607 2.166 0.255 33 HG21 ILE 5 1HG2 ILE 5 -8.348 2.208 0.580 34 HG22 ILE 5 2HG2 ILE 5 -9.268 3.693 0.824 35 HG23 ILE 5 3HG2 ILE 5 -9.099 3.016 -0.797 36 HD11 ILE 5 3HD1 ILE 5 -11.025 4.703 0.624 37 HD12 ILE 5 1HD1 ILE 5 -11.952 3.874 1.875 38 HD13 ILE 5 2HD1 ILE 5 -12.777 4.573 0.484 39 H VAL 6 H VAL 6 -10.181 -1.036 1.563 40 HA VAL 6 HA VAL 6 -7.410 -1.249 1.877 41 HB VAL 6 HB VAL 6 -9.496 -3.368 2.463 42 HG11 VAL 6 1HG1 VAL 6 -7.876 -4.228 4.097 43 HG12 VAL 6 2HG1 VAL 6 -6.696 -3.030 3.559 44 HG13 VAL 6 3HG1 VAL 6 -7.238 -4.293 2.454 45 HG21 VAL 6 3HG2 VAL 6 -10.027 -1.263 3.573 46 HG22 VAL 6 1HG2 VAL 6 -8.390 -1.166 4.222 47 HG23 VAL 6 2HG2 VAL 6 -9.474 -2.449 4.752 48 H THR 7 H THR 7 -9.590 -3.535 0.159 49 HA THR 7 HA THR 7 -7.555 -5.122 -0.971 50 HB THR 7 HB THR 7 -10.317 -4.589 -2.106 51 HG1 THR 7 HG1 THR 7 -9.342 -6.311 -0.095 52 HG21 THR 7 3HG2 THR 7 -8.397 -6.868 -2.626 53 HG22 THR 7 1HG2 THR 7 -8.826 -5.595 -3.768 54 HG23 THR 7 2HG2 THR 7 -10.046 -6.751 -3.240 55 H LYS 8 H LYS 8 -9.036 -2.114 -2.064 56 HA LYS 8 HA LYS 8 -7.964 -1.962 -4.651 57 HB2 LYS 8 2HB LYS 8 -9.689 -0.421 -3.746 58 HB3 LYS 8 1HB LYS 8 -8.473 0.312 -2.710 59 HG2 LYS 8 2HG LYS 8 -7.241 1.057 -4.709 60 HG3 LYS 8 1HG LYS 8 -8.495 0.348 -5.728 61 HD2 LYS 8 2HD LYS 8 -10.160 1.844 -4.679 62 HD3 LYS 8 1HD LYS 8 -8.877 2.578 -3.716 63 HE2 LYS 8 2HE LYS 8 -9.381 3.974 -5.634 64 HE3 LYS 8 1HE LYS 8 -7.761 3.297 -5.795 65 HZ1 LYS 8 3HZ LYS 8 -8.600 1.666 -7.328 66 HZ2 LYS 8 1HZ LYS 8 -9.042 3.204 -7.867 67 HZ3 LYS 8 2HZ LYS 8 -10.187 2.209 -7.120 68 H ILE 9 H ILE 9 -6.644 -0.724 -1.577 69 HA ILE 9 HA ILE 9 -4.209 0.264 -2.515 70 HB ILE 9 HB ILE 9 -4.899 -0.963 0.165 71 HG12 ILE 9 2HG1 ILE 9 -4.632 1.927 -0.721 72 HG13 ILE 9 1HG1 ILE 9 -6.149 1.081 -0.439 73 HG21 ILE 9 1HG2 ILE 9 -2.871 0.188 1.025 74 HG22 ILE 9 2HG2 ILE 9 -2.409 0.546 -0.638 75 HG23 ILE 9 3HG2 ILE 9 -2.508 -1.127 -0.091 76 HD11 ILE 9 3HD1 ILE 9 -5.599 2.520 1.424 77 HD12 ILE 9 1HD1 ILE 9 -4.051 1.699 1.632 78 HD13 ILE 9 2HD1 ILE 9 -5.559 0.829 1.923 79 H ILE 10 H ILE 10 -4.925 -2.990 -1.224 80 HA ILE 10 HA ILE 10 -2.432 -4.172 -1.520 81 HB ILE 10 HB ILE 10 -5.127 -5.487 -1.958 82 HG12 ILE 10 2HG1 ILE 10 -3.433 -5.269 0.554 83 HG13 ILE 10 1HG1 ILE 10 -4.907 -4.357 0.239 84 HG21 ILE 10 1HG2 ILE 10 -2.439 -6.716 -1.309 85 HG22 ILE 10 2HG2 ILE 10 -3.318 -6.867 -2.831 86 HG23 ILE 10 3HG2 ILE 10 -3.975 -7.585 -1.360 87 HD11 ILE 10 3HD1 ILE 10 -4.696 -7.347 0.539 88 HD12 ILE 10 1HD1 ILE 10 -6.175 -6.454 0.187 89 HD13 ILE 10 2HD1 ILE 10 -5.345 -6.214 1.723 90 H SER 11 H SER 11 -5.013 -3.837 -3.936 91 HA SER 11 HA SER 11 -3.778 -5.273 -6.027 92 HG SER 11 HG SER 11 -6.598 -4.731 -5.054 93 HB2 SER 11 2HB SER 11 -5.751 -2.976 -6.211 94 HB3 SER 11 1HB SER 11 -5.348 -4.081 -7.525 95 H ILE 12 H ILE 12 -3.702 -1.819 -5.201 96 HA ILE 12 HA ILE 12 -2.109 -0.912 -7.334 97 HB ILE 12 HB ILE 12 -2.254 0.153 -4.498 98 HG12 ILE 12 2HG1 ILE 12 -3.775 1.087 -6.949 99 HG13 ILE 12 1HG1 ILE 12 -4.436 -0.031 -5.760 100 HG21 ILE 12 1HG2 ILE 12 -0.299 1.025 -5.663 101 HG22 ILE 12 2HG2 ILE 12 -1.509 2.290 -5.463 102 HG23 ILE 12 3HG2 ILE 12 -1.306 1.506 -7.029 103 HD11 ILE 12 3HD1 ILE 12 -5.216 2.237 -5.377 104 HD12 ILE 12 1HD1 ILE 12 -3.551 2.796 -5.214 105 HD13 ILE 12 2HD1 ILE 12 -4.227 1.674 -4.030 106 H VAL 13 H VAL 13 -1.199 -2.114 -4.119 107 HA VAL 13 HA VAL 13 1.568 -1.757 -4.268 108 HB VAL 13 HB VAL 13 0.044 -3.963 -2.849 109 HG11 VAL 13 1HG1 VAL 13 2.856 -2.950 -2.389 110 HG12 VAL 13 2HG1 VAL 13 2.401 -4.528 -3.033 111 HG13 VAL 13 3HG1 VAL 13 2.001 -4.110 -1.369 112 HG21 VAL 13 3HG2 VAL 13 -0.710 -1.752 -2.167 113 HG22 VAL 13 1HG2 VAL 13 0.955 -1.254 -1.866 114 HG23 VAL 13 2HG2 VAL 13 0.214 -2.508 -0.871 115 H GLN 14 H GLN 14 -0.326 -4.693 -5.100 116 HA GLN 14 HA GLN 14 1.861 -6.167 -6.115 117 HB2 GLN 14 2HB GLN 14 -0.181 -7.299 -5.499 118 HB3 GLN 14 1HB GLN 14 -1.103 -6.391 -6.692 119 HG2 GLN 14 2HG GLN 14 0.039 -7.508 -8.498 120 HG3 GLN 14 1HG GLN 14 1.123 -8.314 -7.367 121 HE21 GLN 14 1HE2 GLN 14 0.387 -10.070 -6.214 122 HE22 GLN 14 2HE2 GLN 14 -1.087 -10.884 -6.592 123 H GLU 15 H GLU 15 -0.448 -4.007 -7.723 124 HA GLU 15 HA GLU 15 0.194 -4.429 -10.381 125 HB2 GLU 15 2HB GLU 15 -1.649 -3.000 -9.653 126 HB3 GLU 15 1HB GLU 15 -0.520 -1.829 -8.997 127 HG2 GLU 15 2HG GLU 15 -0.435 -2.514 -11.911 128 HG3 GLU 15 1HG GLU 15 -1.664 -1.409 -11.299 129 H ARG 16 H ARG 16 1.705 -2.026 -8.197 130 HA ARG 16 HA ARG 16 3.668 -1.111 -9.954 131 HE ARG 16 HE ARG 16 2.252 0.490 -10.377 132 HB2 ARG 16 2HB ARG 16 3.744 -1.340 -6.938 133 HB3 ARG 16 1HB ARG 16 4.933 -0.458 -7.886 134 HG2 ARG 16 2HG ARG 16 1.984 0.166 -7.929 135 HG3 ARG 16 1HG ARG 16 3.128 0.940 -6.834 136 HD2 ARG 16 2HD ARG 16 2.769 2.373 -8.738 137 HD3 ARG 16 1HD ARG 16 4.411 1.734 -8.810 138 HH11 ARG 16 1HH1 ARG 16 5.273 2.140 -10.259 139 HH12 ARG 16 2HH1 ARG 16 5.625 1.840 -11.923 140 HH21 ARG 16 1HH2 ARG 16 2.716 0.109 -12.501 141 HH22 ARG 16 2HH2 ARG 16 4.187 0.714 -13.192 142 H GLN 17 H GLN 17 3.876 -3.823 -7.630 143 HA GLN 17 HA GLN 17 6.595 -4.450 -8.141 144 HB2 GLN 17 2HB GLN 17 4.421 -6.339 -7.214 145 HB3 GLN 17 1HB GLN 17 6.155 -6.562 -7.015 146 HG2 GLN 17 2HG GLN 17 6.262 -4.655 -5.528 147 HG3 GLN 17 1HG GLN 17 4.547 -4.337 -5.778 148 HE21 GLN 17 1HE2 GLN 17 3.925 -4.608 -3.702 149 HE22 GLN 17 2HE2 GLN 17 3.961 -6.122 -2.877 150 H ASN 18 H ASN 18 3.615 -5.560 -9.677 151 HA ASN 18 HA ASN 18 4.902 -7.629 -11.204 152 HB2 ASN 18 2HB ASN 18 2.126 -6.439 -11.341 153 HB3 ASN 18 1HB ASN 18 2.666 -7.781 -12.348 154 HD21 ASN 18 1HD2 ASN 18 1.106 -9.145 -11.428 155 HD22 ASN 18 2HD2 ASN 18 1.292 -9.787 -9.835 156 H MET 19 H MET 19 3.764 -4.343 -11.911 157 HA MET 19 HA MET 19 4.275 -4.563 -14.728 158 HB2 MET 19 2HB MET 19 3.735 -2.130 -13.017 159 HB3 MET 19 1HB MET 19 3.799 -2.130 -14.773 160 HG2 MET 19 2HG MET 19 1.848 -3.775 -13.171 161 HG3 MET 19 1HG MET 19 1.503 -2.164 -13.791 162 HE1 MET 19 3HE MET 19 1.524 -5.929 -14.486 163 HE2 MET 19 1HE MET 19 3.082 -5.588 -15.238 164 HE3 MET 19 2HE MET 19 1.709 -6.063 -16.236 165 H ASP 20 H ASP 20 5.983 -2.934 -12.039 166 HA ASP 20 HA ASP 20 8.137 -2.111 -13.796 167 HB2 ASP 20 2HB ASP 20 7.274 -0.881 -11.679 168 HB3 ASP 20 1HB ASP 20 8.246 -2.039 -10.779 169 H ASP 21 H ASP 21 7.415 -4.761 -11.685 170 HA ASP 21 HA ASP 21 8.364 -6.773 -11.345 171 HB2 ASP 21 2HB ASP 21 8.717 -6.716 -13.817 172 HB3 ASP 21 1HB ASP 21 10.328 -6.062 -13.533 173 H GLY 22 H GLY 22 9.187 -6.793 -9.357 174 HA2 GLY 22 2HA GLY 22 10.999 -7.178 -7.917 175 HA3 GLY 22 1HA GLY 22 12.064 -6.379 -9.059 176 H ALA 23 H ALA 23 10.278 -4.005 -9.213 177 HA ALA 23 HA ALA 23 11.605 -2.418 -7.319 178 HB1 ALA 23 3HB ALA 23 10.749 -1.568 -9.447 179 HB2 ALA 23 1HB ALA 23 10.180 -0.602 -8.081 180 HB3 ALA 23 2HB ALA 23 9.097 -1.758 -8.859 181 HA PRO 24 HA PRO 24 8.836 -2.688 -3.768 182 HB2 PRO 24 2HB PRO 24 10.002 -0.816 -2.230 183 HB3 PRO 24 1HB PRO 24 10.789 -2.369 -2.549 184 HG2 PRO 24 2HG PRO 24 11.281 0.301 -3.823 185 HG3 PRO 24 1HG PRO 24 12.455 -0.913 -3.281 186 HD2 PRO 24 2HD PRO 24 11.647 -0.605 -5.897 187 HD3 PRO 24 1HD PRO 24 12.273 -2.123 -5.221 188 H VAL 25 H VAL 25 7.055 -1.546 -2.973 189 HA VAL 25 HA VAL 25 6.137 0.616 -4.682 190 HB VAL 25 HB VAL 25 4.655 -0.726 -2.410 191 HG11 VAL 25 1HG1 VAL 25 2.647 0.043 -3.613 192 HG12 VAL 25 2HG1 VAL 25 3.677 0.863 -4.787 193 HG13 VAL 25 3HG1 VAL 25 3.669 1.389 -3.104 194 HG21 VAL 25 3HG2 VAL 25 5.375 -2.416 -4.002 195 HG22 VAL 25 1HG2 VAL 25 4.730 -1.465 -5.342 196 HG23 VAL 25 2HG2 VAL 25 3.637 -2.155 -4.142 197 H LYS 26 H LYS 26 5.758 2.695 -4.101 198 HA LYS 26 HA LYS 26 6.724 3.587 -1.475 199 HB2 LYS 26 2HB LYS 26 6.107 5.178 -3.982 200 HB3 LYS 26 1HB LYS 26 6.735 5.853 -2.488 201 HG2 LYS 26 2HG LYS 26 8.539 5.664 -4.032 202 HG3 LYS 26 1HG LYS 26 8.775 4.437 -2.784 203 HD2 LYS 26 2HD LYS 26 8.024 2.698 -4.250 204 HD3 LYS 26 1HD LYS 26 7.482 3.866 -5.455 205 HE2 LYS 26 2HE LYS 26 10.355 3.494 -4.602 206 HE3 LYS 26 1HE LYS 26 9.628 2.751 -6.030 207 HZ1 LYS 26 3HZ LYS 26 9.874 5.671 -5.532 208 HZ2 LYS 26 1HZ LYS 26 9.149 4.964 -6.888 209 HZ3 LYS 26 2HZ LYS 26 10.802 4.766 -6.617 210 H THR 27 H THR 27 5.452 4.806 -0.073 211 HA THR 27 HA THR 27 2.686 4.418 -0.002 212 HB THR 27 HB THR 27 4.233 6.681 1.301 213 HG1 THR 27 HG1 THR 27 3.486 4.218 2.501 214 HG21 THR 27 3HG2 THR 27 1.570 5.444 2.043 215 HG22 THR 27 1HG2 THR 27 1.797 7.046 1.339 216 HG23 THR 27 2HG2 THR 27 2.418 6.695 2.952 217 H ARG 28 H ARG 28 4.585 7.001 -1.452 218 HA ARG 28 HA ARG 28 2.587 8.852 -2.050 219 HE ARG 28 HE ARG 28 5.456 11.758 -0.524 220 HB2 ARG 28 2HB ARG 28 5.161 8.129 -3.441 221 HB3 ARG 28 1HB ARG 28 4.108 9.388 -4.072 222 HG2 ARG 28 2HG ARG 28 5.252 9.378 -1.280 223 HG3 ARG 28 1HG ARG 28 5.960 10.235 -2.653 224 HD2 ARG 28 2HD ARG 28 3.965 11.577 -2.898 225 HD3 ARG 28 1HD ARG 28 3.149 10.658 -1.635 226 HH11 ARG 28 1HH1 ARG 28 2.505 12.857 -1.925 227 HH12 ARG 28 2HH1 ARG 28 2.414 14.252 -0.907 228 HH21 ARG 28 1HH2 ARG 28 5.330 13.571 0.768 229 HH22 ARG 28 2HH2 ARG 28 3.987 14.652 0.591 230 H ASP 29 H ASP 29 3.788 6.257 -4.248 231 HA ASP 29 HA ASP 29 1.978 6.687 -6.314 232 HB2 ASP 29 2HB ASP 29 3.233 4.079 -5.425 233 HB3 ASP 29 1HB ASP 29 2.410 4.322 -6.966 234 H ILE 30 H ILE 30 1.603 4.614 -3.453 235 HA ILE 30 HA ILE 30 -0.936 3.566 -4.103 236 HB ILE 30 HB ILE 30 0.183 4.092 -1.337 237 HG12 ILE 30 2HG1 ILE 30 0.394 1.609 -3.070 238 HG13 ILE 30 1HG1 ILE 30 1.706 2.736 -2.742 239 HG21 ILE 30 1HG2 ILE 30 -2.220 3.643 -1.318 240 HG22 ILE 30 2HG2 ILE 30 -1.327 2.291 -0.619 241 HG23 ILE 30 3HG2 ILE 30 -1.966 2.170 -2.260 242 HD11 ILE 30 3HD1 ILE 30 1.614 2.159 -0.372 243 HD12 ILE 30 1HD1 ILE 30 1.891 0.737 -1.377 244 HD13 ILE 30 2HD1 ILE 30 0.292 1.036 -0.696 245 H ALA 31 H ALA 31 0.008 6.471 -2.277 246 HA ALA 31 HA ALA 31 -2.541 7.258 -1.407 247 HB1 ALA 31 3HB ALA 31 -0.484 8.209 -0.502 248 HB2 ALA 31 1HB ALA 31 -1.568 9.477 -1.074 249 HB3 ALA 31 2HB ALA 31 -0.166 9.012 -2.039 250 H ASP 32 H ASP 32 -0.735 8.304 -4.310 251 HA ASP 32 HA ASP 32 -2.785 9.971 -5.326 252 HB2 ASP 32 2HB ASP 32 -0.455 8.618 -6.701 253 HB3 ASP 32 1HB ASP 32 -1.516 9.779 -7.495 254 H ALA 33 H ALA 33 -2.006 6.558 -5.975 255 HA ALA 33 HA ALA 33 -3.962 6.214 -8.016 256 HB1 ALA 33 3HB ALA 33 -1.997 4.770 -7.795 257 HB2 ALA 33 1HB ALA 33 -3.492 3.837 -7.805 258 HB3 ALA 33 2HB ALA 33 -2.642 4.124 -6.287 259 H ALA 34 H ALA 34 -4.048 5.748 -4.509 260 HA ALA 34 HA ALA 34 -6.727 4.608 -4.592 261 HB1 ALA 34 3HB ALA 34 -5.084 3.772 -2.970 262 HB2 ALA 34 1HB ALA 34 -6.523 4.413 -2.177 263 HB3 ALA 34 2HB ALA 34 -5.036 5.360 -2.204 264 H GLY 35 H GLY 35 -5.282 7.734 -4.161 265 HA2 GLY 35 2HA GLY 35 -6.310 9.814 -4.091 266 HA3 GLY 35 1HA GLY 35 -7.872 9.011 -4.066 267 H LEU 36 H LEU 36 -5.199 8.549 -1.778 268 HA LEU 36 HA LEU 36 -6.916 9.662 0.365 269 HG LEU 36 HG LEU 36 -7.097 6.606 -0.609 270 HB2 LEU 36 2HB LEU 36 -5.053 7.292 0.574 271 HB3 LEU 36 1HB LEU 36 -6.018 7.956 1.877 272 HD11 LEU 36 1HD1 LEU 36 -7.811 4.846 0.961 273 HD12 LEU 36 2HD1 LEU 36 -6.955 5.674 2.260 274 HD13 LEU 36 3HD1 LEU 36 -6.058 5.014 0.894 275 HD21 LEU 36 3HD2 LEU 36 -8.619 8.346 0.167 276 HD22 LEU 36 1HD2 LEU 36 -8.549 7.701 1.808 277 HD23 LEU 36 2HD2 LEU 36 -9.282 6.750 0.517 278 H SER 37 H SER 37 -5.534 10.025 2.446 279 HA SER 37 HA SER 37 -3.291 11.741 1.725 280 HG SER 37 HG SER 37 -5.335 12.731 2.343 281 HB2 SER 37 2HB SER 37 -4.565 11.220 4.431 282 HB3 SER 37 1HB SER 37 -3.341 12.447 4.094 283 H ILE 38 H ILE 38 -1.162 11.510 2.456 284 HA ILE 38 HA ILE 38 0.015 9.035 2.378 285 HB ILE 38 HB ILE 38 1.033 11.471 3.859 286 HG12 ILE 38 2HG1 ILE 38 0.556 11.904 1.488 287 HG13 ILE 38 1HG1 ILE 38 2.291 11.923 1.785 288 HG21 ILE 38 1HG2 ILE 38 2.236 9.471 4.571 289 HG22 ILE 38 2HG2 ILE 38 3.274 10.506 3.591 290 HG23 ILE 38 3HG2 ILE 38 2.564 9.051 2.888 291 HD11 ILE 38 3HD1 ILE 38 1.766 10.791 -0.290 292 HD12 ILE 38 1HD1 ILE 38 0.728 9.655 0.569 293 HD13 ILE 38 2HD1 ILE 38 2.465 9.665 0.872 294 H TYR 39 H TYR 39 -0.701 10.845 5.375 295 HA TYR 39 HA TYR 39 0.146 8.980 7.253 296 HD1 TYR 39 HD2 TYR 39 0.389 9.716 9.828 297 HD2 TYR 39 HD1 TYR 39 -3.739 10.288 8.944 298 HE1 TYR 39 HE2 TYR 39 -0.195 9.008 12.109 299 HE2 TYR 39 HE1 TYR 39 -4.329 9.584 11.223 300 HH TYR 39 HH TYR 39 -3.243 8.118 13.043 301 HB2 TYR 39 2HB TYR 39 -0.482 11.228 7.891 302 HB3 TYR 39 1HB TYR 39 -2.142 10.961 7.375 303 H GLN 40 H GLN 40 -3.183 9.398 6.032 304 HA GLN 40 HA GLN 40 -4.397 7.235 7.286 305 HB2 GLN 40 2HB GLN 40 -5.666 8.964 6.151 306 HB3 GLN 40 1HB GLN 40 -4.980 8.503 4.600 307 HG2 GLN 40 2HG GLN 40 -6.115 6.308 4.801 308 HG3 GLN 40 1HG GLN 40 -6.872 6.879 6.289 309 HE21 GLN 40 1HE2 GLN 40 -8.942 6.680 5.395 310 HE22 GLN 40 2HE2 GLN 40 -9.531 7.781 4.201 311 H VAL 41 H VAL 41 -2.896 7.334 4.060 312 HA VAL 41 HA VAL 41 -3.426 4.742 3.226 313 HB VAL 41 HB VAL 41 -0.990 6.443 2.626 314 HG11 VAL 41 1HG1 VAL 41 -0.720 5.016 0.625 315 HG12 VAL 41 2HG1 VAL 41 -2.004 3.965 1.224 316 HG13 VAL 41 3HG1 VAL 41 -0.497 4.119 2.127 317 HG21 VAL 41 3HG2 VAL 41 -2.175 6.998 0.553 318 HG22 VAL 41 1HG2 VAL 41 -3.102 7.486 1.973 319 HG23 VAL 41 2HG2 VAL 41 -3.556 6.034 1.079 320 H ARG 42 H ARG 42 -0.497 5.920 4.942 321 HA ARG 42 HA ARG 42 0.712 3.361 5.004 322 HE ARG 42 HE ARG 42 3.015 4.155 8.539 323 HB2 ARG 42 2HB ARG 42 2.422 4.277 6.309 324 HB3 ARG 42 1HB ARG 42 1.894 5.593 5.274 325 HG2 ARG 42 2HG ARG 42 0.934 6.766 7.033 326 HG3 ARG 42 1HG ARG 42 0.788 5.327 8.049 327 HD2 ARG 42 2HD ARG 42 3.310 6.816 7.322 328 HD3 ARG 42 1HD ARG 42 2.581 6.653 8.925 329 HH11 ARG 42 1HH1 ARG 42 5.092 6.686 7.455 330 HH12 ARG 42 2HH1 ARG 42 6.471 5.646 7.348 331 HH21 ARG 42 1HH2 ARG 42 4.741 2.834 8.363 332 HH22 ARG 42 2HH2 ARG 42 6.268 3.468 7.842 333 H LEU 43 H LEU 43 -1.586 4.911 7.158 334 HA LEU 43 HA LEU 43 -1.360 3.221 9.384 335 HG LEU 43 HG LEU 43 -2.254 6.173 9.064 336 HB2 LEU 43 2HB LEU 43 -3.812 4.504 8.173 337 HB3 LEU 43 1HB LEU 43 -3.818 3.668 9.713 338 HD11 LEU 43 1HD1 LEU 43 -4.636 6.585 9.260 339 HD12 LEU 43 2HD1 LEU 43 -3.785 7.240 10.657 340 HD13 LEU 43 3HD1 LEU 43 -4.683 5.728 10.802 341 HD21 LEU 43 3HD2 LEU 43 -1.046 4.757 10.649 342 HD22 LEU 43 1HD2 LEU 43 -2.487 4.646 11.663 343 HD23 LEU 43 2HD2 LEU 43 -1.676 6.199 11.445 344 H TYR 44 H TYR 44 -3.361 2.852 6.454 345 HA TYR 44 HA TYR 44 -4.305 0.250 7.094 346 HD1 TYR 44 HD1 TYR 44 -6.922 -0.223 5.757 347 HD2 TYR 44 HD2 TYR 44 -5.270 3.679 5.301 348 HE1 TYR 44 HE1 TYR 44 -9.093 0.763 6.357 349 HE2 TYR 44 HE2 TYR 44 -7.438 4.668 5.905 350 HH TYR 44 HH TYR 44 -9.993 2.834 7.239 351 HB2 TYR 44 2HB TYR 44 -4.081 1.722 4.464 352 HB3 TYR 44 1HB TYR 44 -4.787 0.112 4.597 353 H LEU 45 H LEU 45 -1.413 1.384 5.418 354 HA LEU 45 HA LEU 45 -0.526 -1.111 4.447 355 HG LEU 45 HG LEU 45 -0.399 1.889 3.458 356 HB2 LEU 45 2HB LEU 45 1.114 1.288 5.294 357 HB3 LEU 45 1HB LEU 45 1.721 -0.070 4.365 358 HD11 LEU 45 1HD1 LEU 45 1.283 2.592 1.813 359 HD12 LEU 45 2HD1 LEU 45 2.459 1.511 2.561 360 HD13 LEU 45 3HD1 LEU 45 1.817 2.879 3.468 361 HD21 LEU 45 3HD2 LEU 45 -0.843 -0.323 2.556 362 HD22 LEU 45 1HD2 LEU 45 0.828 -0.456 2.004 363 HD23 LEU 45 2HD2 LEU 45 -0.245 0.746 1.288 364 H GLU 46 H GLU 46 0.231 0.568 7.510 365 HA GLU 46 HA GLU 46 1.808 -1.392 8.698 366 HB2 GLU 46 2HB GLU 46 0.142 0.843 9.681 367 HB3 GLU 46 1HB GLU 46 0.390 -0.445 10.846 368 HG2 GLU 46 2HG GLU 46 2.124 0.966 11.334 369 HG3 GLU 46 1HG GLU 46 2.895 -0.185 10.249 370 H GLN 47 H GLN 47 -1.746 -1.049 8.800 371 HA GLN 47 HA GLN 47 -2.333 -3.296 10.356 372 HB2 GLN 47 2HB GLN 47 -3.953 -2.134 8.074 373 HB3 GLN 47 1HB GLN 47 -4.568 -3.255 9.281 374 HG2 GLN 47 2HG GLN 47 -4.124 -1.590 11.034 375 HG3 GLN 47 1HG GLN 47 -3.548 -0.466 9.806 376 HE21 GLN 47 1HE2 GLN 47 -5.761 -0.174 11.660 377 HE22 GLN 47 2HE2 GLN 47 -7.174 0.080 10.697 378 H LEU 48 H LEU 48 -2.164 -3.065 6.791 379 HA LEU 48 HA LEU 48 -2.601 -5.767 6.205 380 HG LEU 48 HG LEU 48 -3.378 -3.118 4.851 381 HB2 LEU 48 2HB LEU 48 -0.986 -3.702 4.708 382 HB3 LEU 48 1HB LEU 48 -1.411 -5.275 4.056 383 HD11 LEU 48 1HD1 LEU 48 -2.525 -4.079 2.120 384 HD12 LEU 48 2HD1 LEU 48 -2.126 -2.521 2.850 385 HD13 LEU 48 3HD1 LEU 48 -3.801 -2.905 2.455 386 HD21 LEU 48 3HD2 LEU 48 -5.050 -4.568 3.774 387 HD22 LEU 48 1HD2 LEU 48 -4.318 -5.331 5.187 388 HD23 LEU 48 2HD2 LEU 48 -3.820 -5.815 3.564 389 H HIS 49 H HIS 49 0.329 -4.108 7.193 390 HA HIS 49 HA HIS 49 2.154 -6.227 6.764 391 HD1 HIS 49 HD1 HIS 49 3.649 -3.721 10.510 392 HD2 HIS 49 HD2 HIS 49 4.794 -6.666 7.812 393 HE1 HIS 49 HE1 HIS 49 5.655 -4.821 11.531 394 HE2 HIS 49 HE2 HIS 49 6.175 -6.743 9.998 395 HB2 HIS 49 2HB HIS 49 3.090 -4.095 7.137 396 HB3 HIS 49 1HB HIS 49 2.125 -3.823 8.580 397 H ASP 50 H ASP 50 0.179 -5.351 9.597 398 HA ASP 50 HA ASP 50 1.265 -7.486 11.203 399 HB2 ASP 50 2HB ASP 50 -0.993 -5.537 11.690 400 HB3 ASP 50 1HB ASP 50 -0.445 -6.718 12.876 401 H VAL 51 H VAL 51 -1.523 -7.186 9.111 402 HA VAL 51 HA VAL 51 -2.775 -9.564 10.262 403 HB VAL 51 HB VAL 51 -4.563 -9.263 8.648 404 HG11 VAL 51 1HG1 VAL 51 -4.625 -7.951 10.719 405 HG12 VAL 51 2HG1 VAL 51 -5.406 -7.097 9.388 406 HG13 VAL 51 3HG1 VAL 51 -3.784 -6.628 9.907 407 HG21 VAL 51 3HG2 VAL 51 -2.894 -7.012 7.514 408 HG22 VAL 51 1HG2 VAL 51 -4.558 -7.379 7.058 409 HG23 VAL 51 2HG2 VAL 51 -3.273 -8.538 6.716 410 H GLY 52 H GLY 52 -0.179 -9.225 8.401 411 HA2 GLY 52 2HA GLY 52 1.040 -10.851 7.297 412 HA3 GLY 52 1HA GLY 52 -0.337 -11.928 7.431 413 H VAL 53 H VAL 53 0.333 -8.836 5.740 414 HA VAL 53 HA VAL 53 -0.401 -10.167 3.205 415 HB VAL 53 HB VAL 53 -1.275 -7.389 4.048 416 HG11 VAL 53 1HG1 VAL 53 -1.732 -8.835 1.431 417 HG12 VAL 53 2HG1 VAL 53 -0.705 -7.422 1.677 418 HG13 VAL 53 3HG1 VAL 53 -2.451 -7.290 1.891 419 HG21 VAL 53 3HG2 VAL 53 -3.561 -8.294 3.844 420 HG22 VAL 53 1HG2 VAL 53 -2.627 -9.130 5.083 421 HG23 VAL 53 2HG2 VAL 53 -2.890 -9.891 3.517 422 H LEU 54 H LEU 54 1.139 -7.233 4.579 423 HA LEU 54 HA LEU 54 2.692 -6.931 2.109 424 HG LEU 54 HG LEU 54 0.310 -5.101 3.116 425 HB2 LEU 54 2HB LEU 54 2.347 -5.052 4.449 426 HB3 LEU 54 1HB LEU 54 3.307 -4.709 3.020 427 HD11 LEU 54 1HD1 LEU 54 1.059 -2.954 3.992 428 HD12 LEU 54 2HD1 LEU 54 0.222 -2.757 2.452 429 HD13 LEU 54 3HD1 LEU 54 1.982 -2.662 2.517 430 HD21 LEU 54 3HD2 LEU 54 2.100 -4.558 0.744 431 HD22 LEU 54 1HD2 LEU 54 0.337 -4.503 0.728 432 HD23 LEU 54 2HD2 LEU 54 1.168 -6.023 1.045 433 H GLU 55 H GLU 55 4.871 -6.876 1.997 434 HA GLU 55 HA GLU 55 6.395 -7.978 4.255 435 HB2 GLU 55 2HB GLU 55 6.466 -9.233 2.136 436 HB3 GLU 55 1HB GLU 55 7.056 -7.805 1.298 437 HG2 GLU 55 2HG GLU 55 8.881 -9.301 1.683 438 HG3 GLU 55 1HG GLU 55 9.096 -7.870 2.690 439 H LYS 56 H LYS 56 8.520 -7.083 4.745 440 HA LYS 56 HA LYS 56 8.539 -4.156 4.426 441 HB2 LYS 56 2HB LYS 56 10.218 -5.809 6.336 442 HB3 LYS 56 1HB LYS 56 10.002 -4.067 6.351 443 HG2 LYS 56 2HG LYS 56 8.666 -4.846 8.107 444 HG3 LYS 56 1HG LYS 56 7.527 -4.541 6.794 445 HD2 LYS 56 2HD LYS 56 7.024 -6.659 7.901 446 HD3 LYS 56 1HD LYS 56 7.533 -6.937 6.238 447 HE2 LYS 56 2HE LYS 56 9.839 -7.401 7.117 448 HE3 LYS 56 1HE LYS 56 9.169 -7.320 8.746 449 HZ1 LYS 56 3HZ LYS 56 9.293 -9.586 8.009 450 HZ2 LYS 56 1HZ LYS 56 8.401 -9.240 6.618 451 HZ3 LYS 56 2HZ LYS 56 7.666 -9.146 8.138 452 H VAL 57 H VAL 57 9.893 -3.263 2.992 453 HA VAL 57 HA VAL 57 12.230 -4.828 2.089 454 HB VAL 57 HB VAL 57 10.812 -2.569 0.657 455 HG11 VAL 57 1HG1 VAL 57 12.137 -3.238 -1.294 456 HG12 VAL 57 2HG1 VAL 57 12.968 -4.455 -0.323 457 HG13 VAL 57 3HG1 VAL 57 13.179 -2.742 0.042 458 HG21 VAL 57 3HG2 VAL 57 9.404 -4.563 0.857 459 HG22 VAL 57 1HG2 VAL 57 10.688 -5.549 0.154 460 HG23 VAL 57 2HG2 VAL 57 9.906 -4.297 -0.812 461 H ASN 58 H ASN 58 13.979 -4.194 3.237 462 HA ASN 58 HA ASN 58 14.487 -1.374 3.767 463 HB2 ASN 58 2HB ASN 58 15.021 -3.058 5.496 464 HB3 ASN 58 1HB ASN 58 16.179 -3.808 4.402 465 HD21 ASN 58 1HD2 ASN 58 15.470 -0.954 6.294 466 HD22 ASN 58 2HD2 ASN 58 17.089 -0.348 6.334 467 H ALA 59 H ALA 59 15.053 -0.289 1.967 468 HA ALA 59 HA ALA 59 16.579 -1.448 -0.169 469 HB1 ALA 59 3HB ALA 59 14.815 0.209 -0.572 470 HB2 ALA 59 1HB ALA 59 16.364 0.725 -1.241 471 HB3 ALA 59 2HB ALA 59 15.774 1.431 0.265 472 H GLY 60 H GLY 60 17.523 -0.028 2.766 473 HA2 GLY 60 2HA GLY 60 20.228 -0.317 2.457 474 HA3 GLY 60 1HA GLY 60 19.907 1.298 1.842 475 H LYS 61 H LYS 61 21.564 1.390 3.813 476 HA LYS 61 HA LYS 61 20.365 1.355 6.430 477 HB2 LYS 61 2HB LYS 61 23.004 2.591 5.610 478 HB3 LYS 61 1HB LYS 61 22.516 2.125 7.232 479 HG2 LYS 61 2HG LYS 61 23.042 0.264 4.916 480 HG3 LYS 61 1HG LYS 61 24.080 0.517 6.319 481 HD2 LYS 61 2HD LYS 61 21.266 -0.587 6.414 482 HD3 LYS 61 1HD LYS 61 22.737 -1.556 6.471 483 HE2 LYS 61 2HE LYS 61 23.399 -0.456 8.548 484 HE3 LYS 61 1HE LYS 61 21.955 0.557 8.486 485 HZ1 LYS 61 3HZ LYS 61 21.681 -1.330 9.976 486 HZ2 LYS 61 1HZ LYS 61 21.965 -2.403 8.698 487 HZ3 LYS 61 2HZ LYS 61 20.595 -1.409 8.685 488 H GLY 62 H GLY 62 18.695 2.830 6.578 489 HA2 GLY 62 2HA GLY 62 18.797 5.280 7.478 490 HA3 GLY 62 1HA GLY 62 19.229 5.628 5.810 491 H VAL 63 H VAL 63 17.348 3.406 4.929 492 HA VAL 63 HA VAL 63 14.978 5.043 4.753 493 HB VAL 63 HB VAL 63 14.055 3.284 3.329 494 HG11 VAL 63 1HG1 VAL 63 16.933 3.933 2.668 495 HG12 VAL 63 2HG1 VAL 63 15.523 4.932 2.305 496 HG13 VAL 63 3HG1 VAL 63 15.718 3.365 1.519 497 HG21 VAL 63 3HG2 VAL 63 14.884 1.305 4.454 498 HG22 VAL 63 1HG2 VAL 63 16.547 1.723 4.035 499 HG23 VAL 63 2HG2 VAL 63 15.400 1.283 2.770 500 HA PRO 64 HA PRO 64 12.857 3.307 8.279 501 HB2 PRO 64 2HB PRO 64 10.282 3.921 7.552 502 HB3 PRO 64 1HB PRO 64 11.415 5.091 8.237 503 HG2 PRO 64 2HG PRO 64 10.673 4.627 5.369 504 HG3 PRO 64 1HG PRO 64 10.902 6.160 6.235 505 HD2 PRO 64 2HD PRO 64 12.802 5.138 4.608 506 HD3 PRO 64 1HD PRO 64 13.211 6.053 6.075 507 H GLY 65 H GLY 65 11.350 2.668 5.090 508 HA2 GLY 65 2HA GLY 65 11.644 -0.014 4.904 509 HA3 GLY 65 1HA GLY 65 10.270 0.133 5.989 510 H LEU 66 H LEU 66 11.138 -0.255 2.829 511 HA LEU 66 HA LEU 66 8.864 1.148 1.658 512 HG LEU 66 HG LEU 66 11.893 1.525 1.147 513 HB2 LEU 66 2HB LEU 66 10.950 -0.655 0.411 514 HB3 LEU 66 1HB LEU 66 9.705 0.202 -0.481 515 HD11 LEU 66 1HD1 LEU 66 12.840 2.183 -1.011 516 HD12 LEU 66 2HD1 LEU 66 11.612 1.230 -1.841 517 HD13 LEU 66 3HD1 LEU 66 12.807 0.431 -0.823 518 HD21 LEU 66 3HD2 LEU 66 9.824 2.713 -0.707 519 HD22 LEU 66 1HD2 LEU 66 11.133 3.594 0.080 520 HD23 LEU 66 2HD2 LEU 66 9.854 2.867 1.050 521 H TRP 67 H TRP 67 7.351 -0.120 0.190 522 HA TRP 67 HA TRP 67 6.450 -2.413 1.805 523 HD1 TRP 67 HD1 TRP 67 5.306 1.753 1.369 524 HE1 TRP 67 HE1 TRP 67 5.010 2.545 3.799 525 HE3 TRP 67 HE3 TRP 67 4.307 -2.749 3.584 526 HZ2 TRP 67 HZ2 TRP 67 4.428 1.417 6.319 527 HZ3 TRP 67 HZ3 TRP 67 3.890 -2.803 6.008 528 HH2 TRP 67 HH2 TRP 67 3.950 -0.763 7.347 529 HB2 TRP 67 2HB TRP 67 4.841 -0.491 0.114 530 HB3 TRP 67 1HB TRP 67 4.173 -1.822 1.058 531 H ARG 68 H ARG 68 6.222 -4.360 0.980 532 HA ARG 68 HA ARG 68 5.434 -4.680 -1.831 533 HE ARG 68 HE ARG 68 8.504 -7.890 -2.324 534 HB2 ARG 68 2HB ARG 68 7.794 -5.985 -0.505 535 HB3 ARG 68 1HB ARG 68 6.890 -6.886 -1.715 536 HG2 ARG 68 2HG ARG 68 7.285 -5.047 -3.330 537 HG3 ARG 68 1HG ARG 68 8.267 -4.231 -2.116 538 HD2 ARG 68 2HD ARG 68 9.514 -5.593 -3.870 539 HD3 ARG 68 1HD ARG 68 9.931 -5.897 -2.184 540 HH11 ARG 68 1HH1 ARG 68 9.664 -6.563 -5.293 541 HH12 ARG 68 2HH1 ARG 68 9.542 -8.078 -6.121 542 HH21 ARG 68 1HH2 ARG 68 8.396 -9.790 -3.374 543 HH22 ARG 68 2HH2 ARG 68 8.846 -9.895 -5.042 544 H LEU 69 H LEU 69 5.129 -7.443 -1.886 545 HA LEU 69 HA LEU 69 3.226 -7.906 0.331 546 HG LEU 69 HG LEU 69 3.776 -8.080 -3.326 547 HB2 LEU 69 2HB LEU 69 2.037 -9.459 -1.275 548 HB3 LEU 69 1HB LEU 69 1.922 -7.746 -1.618 549 HD11 LEU 69 1HD1 LEU 69 3.108 -10.990 -2.898 550 HD12 LEU 69 2HD1 LEU 69 4.655 -10.208 -2.568 551 HD13 LEU 69 3HD1 LEU 69 4.069 -10.338 -4.227 552 HD21 LEU 69 3HD2 LEU 69 2.238 -8.938 -5.027 553 HD22 LEU 69 1HD2 LEU 69 1.458 -7.765 -3.965 554 HD23 LEU 69 2HD2 LEU 69 1.144 -9.490 -3.757 555 H LEU 70 H LEU 70 2.823 -10.315 0.765 556 HA LEU 70 HA LEU 70 5.300 -11.581 1.349 557 HG LEU 70 HG LEU 70 2.705 -10.894 3.015 558 HB2 LEU 70 2HB LEU 70 2.496 -12.714 1.392 559 HB3 LEU 70 1HB LEU 70 3.906 -13.508 2.071 560 HD11 LEU 70 1HD1 LEU 70 2.143 -12.131 5.041 561 HD12 LEU 70 2HD1 LEU 70 2.785 -13.611 4.328 562 HD13 LEU 70 3HD1 LEU 70 1.365 -12.838 3.625 563 HD21 LEU 70 3HD2 LEU 70 5.122 -10.856 3.278 564 HD22 LEU 70 1HD2 LEU 70 5.085 -12.428 4.083 565 HD23 LEU 70 2HD2 LEU 70 4.337 -11.022 4.847 566 H GLU 71 H GLU 71 6.497 -11.975 -0.465 567 HA GLU 71 HA GLU 71 5.383 -13.229 -2.818 568 HB2 GLU 71 2HB GLU 71 7.077 -11.490 -3.042 569 HB3 GLU 71 1HB GLU 71 8.220 -12.446 -2.110 570 HG2 GLU 71 2HG GLU 71 8.136 -14.178 -3.899 571 HG3 GLU 71 1HG GLU 71 7.123 -13.083 -4.843 Start of MODEL 5 1 HA MET 1 HA MET 1 -16.566 -4.434 7.337 2 H1 MET 1 1H MET 1 -13.843 -4.851 8.428 3 H2 MET 1 2H MET 1 -14.448 -5.541 7.010 4 H3 MET 1 3H MET 1 -15.131 -5.947 8.502 5 HB2 MET 1 2HB MET 1 -16.436 -4.333 9.795 6 HB3 MET 1 1HB MET 1 -15.145 -3.146 9.682 7 HG2 MET 1 2HG MET 1 -16.698 -1.588 8.582 8 HG3 MET 1 1HG MET 1 -17.992 -2.772 8.765 9 HE1 MET 1 3HE MET 1 -18.978 -0.034 11.389 10 HE2 MET 1 1HE MET 1 -19.527 -0.998 10.018 11 HE3 MET 1 2HE MET 1 -18.265 0.215 9.795 12 H SER 2 H SER 2 -16.355 -3.367 5.463 13 HA SER 2 HA SER 2 -15.993 -1.659 4.016 14 HG SER 2 HG SER 2 -15.250 1.647 5.190 15 HB2 SER 2 2HB SER 2 -16.500 -0.242 6.021 16 HB3 SER 2 1HB SER 2 -14.773 -0.158 6.350 17 H GLU 3 H GLU 3 -13.918 -3.715 4.348 18 HA GLU 3 HA GLU 3 -11.447 -2.231 3.832 19 HB2 GLU 3 2HB GLU 3 -10.343 -4.474 3.795 20 HB3 GLU 3 1HB GLU 3 -11.119 -4.068 5.314 21 HG2 GLU 3 2HG GLU 3 -12.566 -5.725 3.280 22 HG3 GLU 3 1HG GLU 3 -11.362 -6.458 4.343 23 H SER 4 H SER 4 -13.908 -2.771 1.882 24 HA SER 4 HA SER 4 -12.863 -4.069 -0.389 25 HG SER 4 HG SER 4 -15.869 -4.139 -1.060 26 HB2 SER 4 2HB SER 4 -14.889 -1.821 -0.199 27 HB3 SER 4 1HB SER 4 -14.519 -2.681 -1.693 28 H ILE 5 H ILE 5 -12.641 -0.679 0.640 29 HA ILE 5 HA ILE 5 -11.158 0.293 -1.549 30 HB ILE 5 HB ILE 5 -12.227 1.770 0.103 31 HG12 ILE 5 2HG1 ILE 5 -9.221 2.172 -0.030 32 HG13 ILE 5 1HG1 ILE 5 -10.365 2.627 -1.288 33 HG21 ILE 5 1HG2 ILE 5 -11.775 0.475 2.124 34 HG22 ILE 5 2HG2 ILE 5 -11.228 2.139 2.308 35 HG23 ILE 5 3HG2 ILE 5 -10.058 0.857 1.999 36 HD11 ILE 5 3HD1 ILE 5 -10.238 3.774 1.494 37 HD12 ILE 5 1HD1 ILE 5 -11.415 4.214 0.257 38 HD13 ILE 5 2HD1 ILE 5 -9.704 4.555 0.006 39 H VAL 6 H VAL 6 -10.206 -1.484 1.328 40 HA VAL 6 HA VAL 6 -7.395 -1.133 1.064 41 HB VAL 6 HB VAL 6 -8.928 -3.353 2.452 42 HG11 VAL 6 1HG1 VAL 6 -6.844 -3.732 3.716 43 HG12 VAL 6 2HG1 VAL 6 -6.022 -2.553 2.697 44 HG13 VAL 6 3HG1 VAL 6 -6.639 -4.045 1.991 45 HG21 VAL 6 3HG2 VAL 6 -9.448 -1.131 3.345 46 HG22 VAL 6 1HG2 VAL 6 -7.729 -0.807 3.561 47 HG23 VAL 6 2HG2 VAL 6 -8.512 -2.074 4.505 48 H THR 7 H THR 7 -9.687 -3.558 -0.169 49 HA THR 7 HA THR 7 -7.956 -5.344 -1.404 50 HB THR 7 HB THR 7 -10.559 -4.287 -2.565 51 HG1 THR 7 HG1 THR 7 -11.146 -6.529 -1.613 52 HG21 THR 7 3HG2 THR 7 -9.072 -6.857 -3.153 53 HG22 THR 7 1HG2 THR 7 -9.226 -5.480 -4.245 54 HG23 THR 7 2HG2 THR 7 -10.653 -6.412 -3.793 55 H LYS 8 H LYS 8 -9.133 -2.210 -2.615 56 HA LYS 8 HA LYS 8 -7.739 -2.168 -5.051 57 HB2 LYS 8 2HB LYS 8 -9.516 -0.557 -4.482 58 HB3 LYS 8 1HB LYS 8 -8.478 0.162 -3.256 59 HG2 LYS 8 2HG LYS 8 -6.885 0.821 -5.024 60 HG3 LYS 8 1HG LYS 8 -7.976 0.151 -6.236 61 HD2 LYS 8 2HD LYS 8 -8.630 2.414 -4.336 62 HD3 LYS 8 1HD LYS 8 -8.205 2.592 -6.040 63 HE2 LYS 8 2HE LYS 8 -10.191 1.298 -6.670 64 HE3 LYS 8 1HE LYS 8 -10.616 1.112 -4.968 65 HZ1 LYS 8 3HZ LYS 8 -11.873 2.890 -5.985 66 HZ2 LYS 8 1HZ LYS 8 -10.452 3.683 -6.446 67 HZ3 LYS 8 2HZ LYS 8 -10.840 3.517 -4.807 68 H ILE 9 H ILE 9 -6.784 -0.904 -1.849 69 HA ILE 9 HA ILE 9 -4.282 0.120 -2.455 70 HB ILE 9 HB ILE 9 -5.134 -1.315 0.076 71 HG12 ILE 9 2HG1 ILE 9 -5.095 1.634 -0.644 72 HG13 ILE 9 1HG1 ILE 9 -6.535 0.629 -0.505 73 HG21 ILE 9 1HG2 ILE 9 -3.302 -0.100 1.182 74 HG22 ILE 9 2HG2 ILE 9 -2.778 0.524 -0.384 75 HG23 ILE 9 3HG2 ILE 9 -2.703 -1.208 -0.053 76 HD11 ILE 9 3HD1 ILE 9 -4.643 1.342 1.728 77 HD12 ILE 9 1HD1 ILE 9 -6.074 0.322 1.881 78 HD13 ILE 9 2HD1 ILE 9 -6.244 2.025 1.453 79 H ILE 10 H ILE 10 -5.069 -3.232 -1.513 80 HA ILE 10 HA ILE 10 -2.467 -4.291 -1.705 81 HB ILE 10 HB ILE 10 -5.109 -5.708 -2.166 82 HG12 ILE 10 2HG1 ILE 10 -3.427 -5.451 0.351 83 HG13 ILE 10 1HG1 ILE 10 -4.939 -4.601 0.046 84 HG21 ILE 10 1HG2 ILE 10 -2.387 -6.852 -1.523 85 HG22 ILE 10 2HG2 ILE 10 -3.233 -6.981 -3.064 86 HG23 ILE 10 3HG2 ILE 10 -3.893 -7.767 -1.630 87 HD11 ILE 10 3HD1 ILE 10 -4.604 -7.583 0.294 88 HD12 ILE 10 1HD1 ILE 10 -6.120 -6.735 -0.014 89 HD13 ILE 10 2HD1 ILE 10 -5.272 -6.497 1.512 90 H SER 11 H SER 11 -5.073 -4.107 -4.141 91 HA SER 11 HA SER 11 -3.601 -5.389 -6.206 92 HG SER 11 HG SER 11 -5.542 -2.539 -6.141 93 HB2 SER 11 2HB SER 11 -5.334 -4.533 -7.739 94 HB3 SER 11 1HB SER 11 -6.042 -5.261 -6.300 95 H ILE 12 H ILE 12 -3.503 -2.151 -4.986 96 HA ILE 12 HA ILE 12 -2.188 -0.986 -7.262 97 HB ILE 12 HB ILE 12 -2.244 -0.099 -4.363 98 HG12 ILE 12 2HG1 ILE 12 -3.705 1.025 -6.772 99 HG13 ILE 12 1HG1 ILE 12 -4.427 -0.074 -5.602 100 HG21 ILE 12 1HG2 ILE 12 -0.239 0.758 -5.454 101 HG22 ILE 12 2HG2 ILE 12 -1.392 2.063 -5.176 102 HG23 ILE 12 3HG2 ILE 12 -1.211 1.376 -6.790 103 HD11 ILE 12 3HD1 ILE 12 -5.050 2.234 -5.173 104 HD12 ILE 12 1HD1 ILE 12 -3.351 2.671 -5.004 105 HD13 ILE 12 2HD1 ILE 12 -4.099 1.575 -3.842 106 H VAL 13 H VAL 13 -1.072 -2.336 -4.154 107 HA VAL 13 HA VAL 13 1.693 -2.085 -4.587 108 HB VAL 13 HB VAL 13 0.273 -4.302 -3.078 109 HG11 VAL 13 1HG1 VAL 13 2.622 -4.812 -3.505 110 HG12 VAL 13 2HG1 VAL 13 2.361 -4.472 -1.796 111 HG13 VAL 13 3HG1 VAL 13 3.099 -3.252 -2.833 112 HG21 VAL 13 3HG2 VAL 13 1.267 -1.631 -2.058 113 HG22 VAL 13 1HG2 VAL 13 0.539 -2.913 -1.087 114 HG23 VAL 13 2HG2 VAL 13 -0.424 -2.073 -2.305 115 H GLN 14 H GLN 14 -0.568 -4.684 -5.450 116 HA GLN 14 HA GLN 14 1.288 -6.375 -6.755 117 HB2 GLN 14 2HB GLN 14 -1.017 -7.042 -6.045 118 HB3 GLN 14 1HB GLN 14 -1.671 -6.050 -7.341 119 HG2 GLN 14 2HG GLN 14 -1.693 -8.272 -8.128 120 HG3 GLN 14 1HG GLN 14 -0.354 -7.477 -8.950 121 HE21 GLN 14 1HE2 GLN 14 0.727 -9.363 -9.370 122 HE22 GLN 14 2HE2 GLN 14 1.485 -10.313 -8.143 123 H GLU 15 H GLU 15 -0.831 -3.789 -7.972 124 HA GLU 15 HA GLU 15 -0.338 -3.922 -10.681 125 HB2 GLU 15 2HB GLU 15 -2.015 -2.449 -9.774 126 HB3 GLU 15 1HB GLU 15 -0.806 -1.509 -8.918 127 HG2 GLU 15 2HG GLU 15 -0.559 -1.651 -11.875 128 HG3 GLU 15 1HG GLU 15 -1.906 -0.723 -11.219 129 H ARG 16 H ARG 16 1.518 -1.971 -8.314 130 HA ARG 16 HA ARG 16 3.457 -1.090 -10.147 131 HE ARG 16 HE ARG 16 4.011 3.246 -8.662 132 HB2 ARG 16 2HB ARG 16 3.485 -1.355 -7.151 133 HB3 ARG 16 1HB ARG 16 4.904 -0.796 -8.027 134 HG2 ARG 16 2HG ARG 16 2.184 0.510 -7.975 135 HG3 ARG 16 1HG ARG 16 3.665 1.100 -7.217 136 HD2 ARG 16 2HD ARG 16 4.666 1.121 -9.568 137 HD3 ARG 16 1HD ARG 16 3.016 0.908 -10.154 138 HH11 ARG 16 1HH1 ARG 16 1.656 1.801 -10.734 139 HH12 ARG 16 2HH1 ARG 16 0.945 3.324 -11.140 140 HH21 ARG 16 1HH2 ARG 16 3.091 5.162 -9.180 141 HH22 ARG 16 2HH2 ARG 16 1.745 5.212 -10.274 142 H GLN 17 H GLN 17 3.383 -4.041 -8.145 143 HA GLN 17 HA GLN 17 5.998 -4.869 -9.008 144 HB2 GLN 17 2HB GLN 17 3.769 -6.317 -7.588 145 HB3 GLN 17 1HB GLN 17 5.233 -7.148 -8.101 146 HG2 GLN 17 2HG GLN 17 6.507 -5.363 -6.790 147 HG3 GLN 17 1HG GLN 17 4.949 -4.943 -6.081 148 HE21 GLN 17 1HE2 GLN 17 5.729 -5.552 -4.027 149 HE22 GLN 17 2HE2 GLN 17 5.912 -7.214 -3.583 150 H ASN 18 H ASN 18 2.918 -4.948 -10.499 151 HA ASN 18 HA ASN 18 3.610 -7.013 -12.415 152 HB2 ASN 18 2HB ASN 18 1.382 -4.959 -12.394 153 HB3 ASN 18 1HB ASN 18 1.570 -6.197 -13.632 154 HD21 ASN 18 1HD2 ASN 18 -0.595 -5.731 -11.707 155 HD22 ASN 18 2HD2 ASN 18 -0.763 -7.209 -10.827 156 H MET 19 H MET 19 3.404 -3.458 -12.415 157 HA MET 19 HA MET 19 4.467 -3.112 -15.041 158 HB2 MET 19 2HB MET 19 4.387 -1.168 -12.712 159 HB3 MET 19 1HB MET 19 4.746 -0.743 -14.381 160 HG2 MET 19 2HG MET 19 2.133 -1.825 -13.336 161 HG3 MET 19 1HG MET 19 2.462 -0.167 -13.836 162 HE1 MET 19 3HE MET 19 3.047 -0.601 -17.698 163 HE2 MET 19 1HE MET 19 4.287 -0.667 -16.444 164 HE3 MET 19 2HE MET 19 3.000 0.534 -16.353 165 H ASP 20 H ASP 20 5.982 -2.231 -11.916 166 HA ASP 20 HA ASP 20 8.636 -2.530 -13.026 167 HB2 ASP 20 2HB ASP 20 7.784 -2.011 -10.158 168 HB3 ASP 20 1HB ASP 20 9.415 -1.839 -10.805 169 H ASP 21 H ASP 21 9.273 -4.566 -13.419 170 HA ASP 21 HA ASP 21 8.153 -6.885 -12.465 171 HB2 ASP 21 2HB ASP 21 10.997 -6.536 -13.428 172 HB3 ASP 21 1HB ASP 21 10.099 -8.053 -13.377 173 H GLY 22 H GLY 22 7.896 -7.013 -10.263 174 HA2 GLY 22 2HA GLY 22 8.420 -7.836 -8.181 175 HA3 GLY 22 1HA GLY 22 9.958 -8.358 -8.847 176 H ALA 23 H ALA 23 8.863 -5.008 -8.776 177 HA ALA 23 HA ALA 23 11.183 -4.345 -7.099 178 HB1 ALA 23 3HB ALA 23 10.968 -3.170 -9.236 179 HB2 ALA 23 1HB ALA 23 10.879 -2.057 -7.870 180 HB3 ALA 23 2HB ALA 23 9.408 -2.525 -8.723 181 HA PRO 24 HA PRO 24 8.713 -3.449 -3.501 182 HB2 PRO 24 2HB PRO 24 10.272 -1.517 -2.342 183 HB3 PRO 24 1HB PRO 24 10.653 -3.241 -2.291 184 HG2 PRO 24 2HG PRO 24 11.723 -1.118 -4.118 185 HG3 PRO 24 1HG PRO 24 12.598 -2.414 -3.280 186 HD2 PRO 24 2HD PRO 24 11.939 -2.599 -5.887 187 HD3 PRO 24 1HD PRO 24 11.943 -4.022 -4.823 188 H VAL 25 H VAL 25 6.969 -2.218 -3.174 189 HA VAL 25 HA VAL 25 6.478 0.042 -4.911 190 HB VAL 25 HB VAL 25 4.661 -1.178 -2.818 191 HG11 VAL 25 1HG1 VAL 25 2.846 -0.159 -4.139 192 HG12 VAL 25 2HG1 VAL 25 4.047 0.596 -5.189 193 HG13 VAL 25 3HG1 VAL 25 3.952 1.053 -3.488 194 HG21 VAL 25 3HG2 VAL 25 5.356 -2.863 -4.438 195 HG22 VAL 25 1HG2 VAL 25 4.891 -1.799 -5.768 196 HG23 VAL 25 2HG2 VAL 25 3.659 -2.438 -4.677 197 H LYS 26 H LYS 26 5.918 2.145 -4.250 198 HA LYS 26 HA LYS 26 7.047 2.934 -1.651 199 HB2 LYS 26 2HB LYS 26 6.374 4.650 -4.058 200 HB3 LYS 26 1HB LYS 26 7.143 5.210 -2.586 201 HG2 LYS 26 2HG LYS 26 8.803 4.993 -4.291 202 HG3 LYS 26 1HG LYS 26 9.077 3.740 -3.083 203 HD2 LYS 26 2HD LYS 26 8.195 2.048 -4.506 204 HD3 LYS 26 1HD LYS 26 7.531 3.238 -5.627 205 HE2 LYS 26 2HE LYS 26 10.483 2.891 -5.106 206 HE3 LYS 26 1HE LYS 26 9.616 2.085 -6.414 207 HZ1 LYS 26 3HZ LYS 26 9.705 5.028 -6.052 208 HZ2 LYS 26 1HZ LYS 26 9.058 4.181 -7.363 209 HZ3 LYS 26 2HZ LYS 26 10.727 4.168 -7.089 210 H THR 27 H THR 27 5.904 4.227 -0.188 211 HA THR 27 HA THR 27 3.145 3.910 0.066 212 HB THR 27 HB THR 27 4.815 6.151 1.246 213 HG1 THR 27 HG1 THR 27 5.344 4.738 2.822 214 HG21 THR 27 3HG2 THR 27 2.406 6.568 1.468 215 HG22 THR 27 1HG2 THR 27 3.119 6.176 3.034 216 HG23 THR 27 2HG2 THR 27 2.183 4.962 2.161 217 H ARG 28 H ARG 28 4.948 6.442 -1.597 218 HA ARG 28 HA ARG 28 2.897 8.347 -1.878 219 HE ARG 28 HE ARG 28 5.692 10.688 0.278 220 HB2 ARG 28 2HB ARG 28 5.424 7.777 -3.385 221 HB3 ARG 28 1HB ARG 28 4.269 8.916 -4.065 222 HG2 ARG 28 2HG ARG 28 5.902 10.147 -2.841 223 HG3 ARG 28 1HG ARG 28 4.381 10.220 -1.954 224 HD2 ARG 28 2HD ARG 28 5.203 8.434 -0.456 225 HD3 ARG 28 1HD ARG 28 6.740 8.441 -1.324 226 HH11 ARG 28 1HH1 ARG 28 8.331 8.965 -1.107 227 HH12 ARG 28 2HH1 ARG 28 9.518 9.995 -0.383 228 HH21 ARG 28 1HH2 ARG 28 7.225 11.978 1.221 229 HH22 ARG 28 2HH2 ARG 28 8.903 11.661 0.931 230 H ASP 29 H ASP 29 3.930 5.834 -4.220 231 HA ASP 29 HA ASP 29 2.045 6.298 -6.195 232 HB2 ASP 29 2HB ASP 29 3.160 3.628 -5.303 233 HB3 ASP 29 1HB ASP 29 2.374 3.940 -6.849 234 H ILE 30 H ILE 30 1.768 4.150 -3.376 235 HA ILE 30 HA ILE 30 -0.807 3.171 -3.868 236 HB ILE 30 HB ILE 30 0.477 3.648 -1.167 237 HG12 ILE 30 2HG1 ILE 30 0.545 1.183 -2.937 238 HG13 ILE 30 1HG1 ILE 30 1.886 2.302 -2.713 239 HG21 ILE 30 1HG2 ILE 30 -1.917 3.212 -0.995 240 HG22 ILE 30 2HG2 ILE 30 -0.996 1.834 -0.393 241 HG23 ILE 30 3HG2 ILE 30 -1.743 1.768 -1.990 242 HD11 ILE 30 3HD1 ILE 30 2.190 0.318 -1.371 243 HD12 ILE 30 1HD1 ILE 30 0.635 0.580 -0.583 244 HD13 ILE 30 2HD1 ILE 30 1.956 1.723 -0.332 245 H ALA 31 H ALA 31 0.230 6.052 -2.061 246 HA ALA 31 HA ALA 31 -2.293 6.829 -1.093 247 HB1 ALA 31 3HB ALA 31 -1.271 9.012 -0.690 248 HB2 ALA 31 1HB ALA 31 0.097 8.561 -1.711 249 HB3 ALA 31 2HB ALA 31 -0.197 7.701 -0.200 250 H ASP 32 H ASP 32 -0.510 8.096 -3.936 251 HA ASP 32 HA ASP 32 -2.589 9.762 -4.857 252 HB2 ASP 32 2HB ASP 32 -0.192 8.549 -6.231 253 HB3 ASP 32 1HB ASP 32 -1.309 9.626 -7.068 254 H ALA 33 H ALA 33 -1.737 6.424 -5.751 255 HA ALA 33 HA ALA 33 -3.649 6.112 -7.800 256 HB1 ALA 33 3HB ALA 33 -1.761 4.590 -7.513 257 HB2 ALA 33 1HB ALA 33 -3.291 3.712 -7.532 258 HB3 ALA 33 2HB ALA 33 -2.457 4.000 -6.004 259 H ALA 34 H ALA 34 -3.869 5.551 -4.302 260 HA ALA 34 HA ALA 34 -6.628 4.668 -4.462 261 HB1 ALA 34 3HB ALA 34 -6.525 4.588 -2.015 262 HB2 ALA 34 1HB ALA 34 -4.934 5.347 -2.056 263 HB3 ALA 34 2HB ALA 34 -5.162 3.740 -2.746 264 H GLY 35 H GLY 35 -4.986 7.670 -4.232 265 HA2 GLY 35 2HA GLY 35 -5.850 9.817 -4.353 266 HA3 GLY 35 1HA GLY 35 -7.466 9.142 -4.242 267 H LEU 36 H LEU 36 -5.143 8.303 -1.805 268 HA LEU 36 HA LEU 36 -6.692 9.911 0.138 269 HG LEU 36 HG LEU 36 -7.264 6.870 -0.658 270 HB2 LEU 36 2HB LEU 36 -5.201 7.321 0.595 271 HB3 LEU 36 1HB LEU 36 -6.115 8.204 1.803 272 HD11 LEU 36 1HD1 LEU 36 -8.311 5.344 0.969 273 HD12 LEU 36 2HD1 LEU 36 -7.419 6.134 2.267 274 HD13 LEU 36 3HD1 LEU 36 -6.549 5.255 1.010 275 HD21 LEU 36 3HD2 LEU 36 -8.518 8.886 -0.069 276 HD22 LEU 36 1HD2 LEU 36 -8.657 8.329 1.598 277 HD23 LEU 36 2HD2 LEU 36 -9.452 7.437 0.300 278 H SER 37 H SER 37 -5.365 10.141 2.294 279 HA SER 37 HA SER 37 -2.996 11.686 1.643 280 HG SER 37 HG SER 37 -4.716 13.151 2.376 281 HB2 SER 37 2HB SER 37 -4.274 11.163 4.341 282 HB3 SER 37 1HB SER 37 -3.060 12.390 3.986 283 H ILE 38 H ILE 38 -0.904 11.354 2.460 284 HA ILE 38 HA ILE 38 0.150 8.812 2.414 285 HB ILE 38 HB ILE 38 1.269 11.235 3.838 286 HG12 ILE 38 2HG1 ILE 38 0.822 11.545 1.413 287 HG13 ILE 38 1HG1 ILE 38 2.538 11.615 1.793 288 HG21 ILE 38 1HG2 ILE 38 2.367 9.216 4.648 289 HG22 ILE 38 2HG2 ILE 38 3.465 10.134 3.617 290 HG23 ILE 38 3HG2 ILE 38 2.670 8.691 2.990 291 HD11 ILE 38 3HD1 ILE 38 1.105 9.232 0.627 292 HD12 ILE 38 1HD1 ILE 38 2.832 9.350 0.964 293 HD13 ILE 38 2HD1 ILE 38 2.103 10.381 -0.265 294 H TYR 39 H TYR 39 -0.564 10.701 5.376 295 HA TYR 39 HA TYR 39 0.330 8.776 7.218 296 HD1 TYR 39 HD2 TYR 39 1.088 9.588 9.569 297 HD2 TYR 39 HD1 TYR 39 -3.109 10.321 9.475 298 HE1 TYR 39 HE2 TYR 39 0.920 8.918 11.926 299 HE2 TYR 39 HE1 TYR 39 -3.283 9.651 11.837 300 HH TYR 39 HH TYR 39 -2.094 8.359 13.482 301 HB2 TYR 39 2HB TYR 39 -0.085 11.134 7.812 302 HB3 TYR 39 1HB TYR 39 -1.816 10.885 7.601 303 H GLN 40 H GLN 40 -2.984 9.412 6.057 304 HA GLN 40 HA GLN 40 -4.302 7.401 7.486 305 HB2 GLN 40 2HB GLN 40 -5.499 9.178 6.322 306 HB3 GLN 40 1HB GLN 40 -4.938 8.579 4.768 307 HG2 GLN 40 2HG GLN 40 -6.240 6.551 5.047 308 HG3 GLN 40 1HG GLN 40 -6.755 7.080 6.649 309 HE21 GLN 40 1HE2 GLN 40 -8.306 8.702 6.826 310 HE22 GLN 40 2HE2 GLN 40 -9.254 9.217 5.476 311 H VAL 41 H VAL 41 -3.018 7.281 4.158 312 HA VAL 41 HA VAL 41 -3.501 4.602 3.583 313 HB VAL 41 HB VAL 41 -1.210 6.379 2.703 314 HG11 VAL 41 1HG1 VAL 41 -0.525 4.062 2.434 315 HG12 VAL 41 2HG1 VAL 41 -0.870 4.774 0.858 316 HG13 VAL 41 3HG1 VAL 41 -2.038 3.685 1.606 317 HG21 VAL 41 3HG2 VAL 41 -3.476 7.117 2.066 318 HG22 VAL 41 1HG2 VAL 41 -3.746 5.565 1.270 319 HG23 VAL 41 2HG2 VAL 41 -2.504 6.663 0.671 320 H ARG 42 H ARG 42 -0.641 6.059 5.131 321 HA ARG 42 HA ARG 42 0.893 3.792 5.529 322 HE ARG 42 HE ARG 42 3.017 5.273 10.452 323 HB2 ARG 42 2HB ARG 42 1.867 5.894 6.032 324 HB3 ARG 42 1HB ARG 42 0.591 6.305 7.172 325 HG2 ARG 42 2HG ARG 42 1.397 4.637 8.732 326 HG3 ARG 42 1HG ARG 42 2.622 4.110 7.578 327 HD2 ARG 42 2HD ARG 42 3.791 6.182 7.754 328 HD3 ARG 42 1HD ARG 42 2.469 6.922 8.658 329 HH11 ARG 42 1HH1 ARG 42 5.444 6.194 8.180 330 HH12 ARG 42 2HH1 ARG 42 6.732 5.916 9.295 331 HH21 ARG 42 1HH2 ARG 42 4.685 4.907 11.846 332 HH22 ARG 42 2HH2 ARG 42 6.311 5.189 11.337 333 H LEU 43 H LEU 43 -1.734 5.051 7.591 334 HA LEU 43 HA LEU 43 -1.541 3.246 9.707 335 HG LEU 43 HG LEU 43 -2.492 6.208 9.307 336 HB2 LEU 43 2HB LEU 43 -4.041 4.458 8.503 337 HB3 LEU 43 1HB LEU 43 -3.961 3.672 10.070 338 HD11 LEU 43 1HD1 LEU 43 -4.888 6.570 9.510 339 HD12 LEU 43 2HD1 LEU 43 -4.032 7.303 10.867 340 HD13 LEU 43 3HD1 LEU 43 -4.892 5.778 11.086 341 HD21 LEU 43 3HD2 LEU 43 -1.936 6.334 11.706 342 HD22 LEU 43 1HD2 LEU 43 -1.228 4.914 10.935 343 HD23 LEU 43 2HD2 LEU 43 -2.663 4.743 11.947 344 H TYR 44 H TYR 44 -3.393 2.945 6.678 345 HA TYR 44 HA TYR 44 -4.407 0.350 7.156 346 HD1 TYR 44 HD1 TYR 44 -6.707 0.475 6.533 347 HD2 TYR 44 HD2 TYR 44 -5.047 3.644 4.217 348 HE1 TYR 44 HE1 TYR 44 -8.774 1.771 6.834 349 HE2 TYR 44 HE2 TYR 44 -7.112 4.945 4.515 350 HH TYR 44 HH TYR 44 -9.523 4.510 5.011 351 HB2 TYR 44 2HB TYR 44 -3.793 1.716 4.522 352 HB3 TYR 44 1HB TYR 44 -4.719 0.227 4.684 353 H LEU 45 H LEU 45 -1.446 1.415 5.508 354 HA LEU 45 HA LEU 45 -0.592 -1.117 4.620 355 HG LEU 45 HG LEU 45 -0.532 1.894 3.586 356 HB2 LEU 45 2HB LEU 45 1.095 1.292 5.327 357 HB3 LEU 45 1HB LEU 45 1.623 -0.081 4.370 358 HD11 LEU 45 1HD1 LEU 45 2.255 1.498 2.492 359 HD12 LEU 45 2HD1 LEU 45 1.707 2.855 3.478 360 HD13 LEU 45 3HD1 LEU 45 1.042 2.616 1.863 361 HD21 LEU 45 3HD2 LEU 45 -1.022 -0.338 2.729 362 HD22 LEU 45 1HD2 LEU 45 0.605 -0.448 2.053 363 HD23 LEU 45 2HD2 LEU 45 -0.536 0.742 1.424 364 H GLU 46 H GLU 46 0.102 0.637 7.628 365 HA GLU 46 HA GLU 46 1.931 -1.149 8.768 366 HB2 GLU 46 2HB GLU 46 -0.136 0.597 10.128 367 HB3 GLU 46 1HB GLU 46 1.189 -0.208 10.960 368 HG2 GLU 46 2HG GLU 46 2.790 1.086 9.603 369 HG3 GLU 46 1HG GLU 46 1.439 1.920 8.838 370 H GLN 47 H GLN 47 -1.627 -1.119 8.900 371 HA GLN 47 HA GLN 47 -1.811 -3.442 10.564 372 HB2 GLN 47 2HB GLN 47 -3.897 -2.197 8.753 373 HB3 GLN 47 1HB GLN 47 -4.210 -3.427 9.970 374 HG2 GLN 47 2HG GLN 47 -3.210 -0.628 10.474 375 HG3 GLN 47 1HG GLN 47 -4.832 -1.236 10.799 376 HE21 GLN 47 1HE2 GLN 47 -2.832 -0.061 12.600 377 HE22 GLN 47 2HE2 GLN 47 -2.581 -1.225 13.849 378 H LEU 48 H LEU 48 -1.757 -2.932 7.067 379 HA LEU 48 HA LEU 48 -2.354 -5.598 6.321 380 HG LEU 48 HG LEU 48 -3.197 -2.949 5.089 381 HB2 LEU 48 2HB LEU 48 -0.782 -3.441 4.909 382 HB3 LEU 48 1HB LEU 48 -1.154 -4.994 4.182 383 HD11 LEU 48 1HD1 LEU 48 -3.653 -2.656 2.705 384 HD12 LEU 48 2HD1 LEU 48 -2.335 -3.761 2.311 385 HD13 LEU 48 3HD1 LEU 48 -1.989 -2.222 3.101 386 HD21 LEU 48 3HD2 LEU 48 -4.837 -4.406 4.010 387 HD22 LEU 48 1HD2 LEU 48 -4.015 -5.242 5.325 388 HD23 LEU 48 2HD2 LEU 48 -3.571 -5.582 3.651 389 H HIS 49 H HIS 49 0.620 -4.047 7.360 390 HA HIS 49 HA HIS 49 2.314 -6.289 6.826 391 HD1 HIS 49 HD1 HIS 49 4.004 -5.287 10.546 392 HD2 HIS 49 HD2 HIS 49 5.534 -5.609 6.704 393 HE1 HIS 49 HE1 HIS 49 6.281 -6.295 10.818 394 HE2 HIS 49 HE2 HIS 49 7.131 -6.611 8.473 395 HB2 HIS 49 2HB HIS 49 3.233 -4.036 7.127 396 HB3 HIS 49 1HB HIS 49 2.646 -3.999 8.786 397 H ASP 50 H ASP 50 0.162 -5.392 9.400 398 HA ASP 50 HA ASP 50 1.172 -7.171 11.395 399 HB2 ASP 50 2HB ASP 50 -0.153 -5.075 11.821 400 HB3 ASP 50 1HB ASP 50 -1.578 -5.910 11.214 401 H VAL 51 H VAL 51 -1.724 -7.273 9.292 402 HA VAL 51 HA VAL 51 -2.559 -9.843 10.221 403 HB VAL 51 HB VAL 51 -4.260 -9.745 8.454 404 HG11 VAL 51 1HG1 VAL 51 -5.416 -7.720 9.228 405 HG12 VAL 51 2HG1 VAL 51 -3.911 -7.138 9.945 406 HG13 VAL 51 3HG1 VAL 51 -4.677 -8.601 10.567 407 HG21 VAL 51 3HG2 VAL 51 -2.889 -7.192 7.586 408 HG22 VAL 51 1HG2 VAL 51 -4.403 -7.829 6.943 409 HG23 VAL 51 2HG2 VAL 51 -2.896 -8.711 6.690 410 H GLY 52 H GLY 52 -0.165 -8.977 7.974 411 HA2 GLY 52 2HA GLY 52 1.326 -10.593 7.083 412 HA3 GLY 52 1HA GLY 52 0.048 -11.791 7.157 413 H VAL 53 H VAL 53 0.196 -8.581 5.613 414 HA VAL 53 HA VAL 53 -0.297 -9.890 3.003 415 HB VAL 53 HB VAL 53 -1.198 -7.130 3.885 416 HG11 VAL 53 1HG1 VAL 53 -1.647 -8.575 1.264 417 HG12 VAL 53 2HG1 VAL 53 -0.637 -7.151 1.513 418 HG13 VAL 53 3HG1 VAL 53 -2.383 -7.040 1.725 419 HG21 VAL 53 3HG2 VAL 53 -2.512 -8.930 4.909 420 HG22 VAL 53 1HG2 VAL 53 -2.827 -9.614 3.316 421 HG23 VAL 53 2HG2 VAL 53 -3.469 -8.026 3.737 422 H LEU 54 H LEU 54 1.143 -6.956 4.476 423 HA LEU 54 HA LEU 54 3.020 -6.831 2.191 424 HG LEU 54 HG LEU 54 0.287 -5.200 2.384 425 HB2 LEU 54 2HB LEU 54 2.066 -4.573 3.961 426 HB3 LEU 54 1HB LEU 54 3.200 -4.422 2.633 427 HD11 LEU 54 1HD1 LEU 54 1.720 -2.659 1.610 428 HD12 LEU 54 2HD1 LEU 54 0.606 -2.851 2.963 429 HD13 LEU 54 3HD1 LEU 54 0.020 -3.028 1.310 430 HD21 LEU 54 3HD2 LEU 54 2.374 -4.744 0.249 431 HD22 LEU 54 1HD2 LEU 54 0.655 -5.016 -0.032 432 HD23 LEU 54 2HD2 LEU 54 1.644 -6.289 0.680 433 H GLU 55 H GLU 55 5.194 -6.445 2.570 434 HA GLU 55 HA GLU 55 6.090 -6.570 5.376 435 HB2 GLU 55 2HB GLU 55 6.842 -8.486 4.064 436 HB3 GLU 55 1HB GLU 55 7.537 -7.418 2.854 437 HG2 GLU 55 2HG GLU 55 9.252 -8.359 4.309 438 HG3 GLU 55 1HG GLU 55 9.167 -6.606 4.461 439 H LYS 56 H LYS 56 7.369 -5.008 6.187 440 HA LYS 56 HA LYS 56 7.629 -2.551 4.654 441 HB2 LYS 56 2HB LYS 56 6.732 -2.525 6.955 442 HB3 LYS 56 1HB LYS 56 8.251 -3.166 7.557 443 HG2 LYS 56 2HG LYS 56 8.041 -0.772 7.971 444 HG3 LYS 56 1HG LYS 56 9.401 -1.127 6.905 445 HD2 LYS 56 2HD LYS 56 8.326 -0.249 5.030 446 HD3 LYS 56 1HD LYS 56 6.722 -0.410 5.752 447 HE2 LYS 56 2HE LYS 56 7.561 1.944 5.593 448 HE3 LYS 56 1HE LYS 56 7.115 1.433 7.221 449 HZ1 LYS 56 3HZ LYS 56 9.425 1.106 7.741 450 HZ2 LYS 56 1HZ LYS 56 9.208 2.675 7.154 451 HZ3 LYS 56 2HZ LYS 56 9.886 1.489 6.161 452 H VAL 57 H VAL 57 9.309 -2.725 3.249 453 HA VAL 57 HA VAL 57 11.773 -4.033 3.813 454 HB VAL 57 HB VAL 57 11.197 -1.989 1.654 455 HG11 VAL 57 1HG1 VAL 57 13.587 -2.361 1.969 456 HG12 VAL 57 2HG1 VAL 57 13.046 -3.060 0.441 457 HG13 VAL 57 3HG1 VAL 57 13.349 -4.104 1.831 458 HG21 VAL 57 3HG2 VAL 57 10.926 -4.997 1.569 459 HG22 VAL 57 1HG2 VAL 57 10.719 -3.901 0.199 460 HG23 VAL 57 2HG2 VAL 57 9.601 -3.831 1.562 461 H ASN 58 H ASN 58 13.200 -3.318 5.257 462 HA ASN 58 HA ASN 58 14.027 -0.494 5.193 463 HB2 ASN 58 2HB ASN 58 12.443 -1.000 7.123 464 HB3 ASN 58 1HB ASN 58 13.695 -2.059 7.764 465 HD21 ASN 58 1HD2 ASN 58 15.479 -1.167 8.727 466 HD22 ASN 58 2HD2 ASN 58 15.636 0.525 9.042 467 H ALA 59 H ALA 59 16.146 -0.431 4.704 468 HA ALA 59 HA ALA 59 17.836 -2.762 5.357 469 HB1 ALA 59 3HB ALA 59 19.266 -2.069 3.521 470 HB2 ALA 59 1HB ALA 59 18.288 -0.622 3.274 471 HB3 ALA 59 2HB ALA 59 17.597 -2.216 2.972 472 H GLY 60 H GLY 60 17.223 -0.349 7.134 473 HA2 GLY 60 2HA GLY 60 19.439 -0.186 8.654 474 HA3 GLY 60 1HA GLY 60 19.810 0.963 7.379 475 H LYS 61 H LYS 61 19.814 2.039 9.768 476 HA LYS 61 HA LYS 61 17.245 2.913 10.690 477 HB2 LYS 61 2HB LYS 61 19.189 2.663 12.198 478 HB3 LYS 61 1HB LYS 61 19.994 3.986 11.365 479 HG2 LYS 61 2HG LYS 61 18.217 5.517 12.076 480 HG3 LYS 61 1HG LYS 61 17.406 4.189 12.910 481 HD2 LYS 61 2HD LYS 61 19.424 3.910 14.332 482 HD3 LYS 61 1HD LYS 61 20.141 5.314 13.538 483 HE2 LYS 61 2HE LYS 61 19.147 5.957 15.665 484 HE3 LYS 61 1HE LYS 61 18.274 6.705 14.328 485 HZ1 LYS 61 3HZ LYS 61 16.552 5.049 14.536 486 HZ2 LYS 61 1HZ LYS 61 16.797 5.788 16.035 487 HZ3 LYS 61 2HZ LYS 61 17.412 4.241 15.746 488 H GLY 62 H GLY 62 16.032 4.491 9.859 489 HA2 GLY 62 2HA GLY 62 15.428 6.496 8.884 490 HA3 GLY 62 1HA GLY 62 17.103 7.007 9.016 491 H VAL 63 H VAL 63 15.562 4.348 7.193 492 HA VAL 63 HA VAL 63 16.657 5.518 4.703 493 HB VAL 63 HB VAL 63 16.756 3.252 3.768 494 HG11 VAL 63 1HG1 VAL 63 18.180 3.488 6.424 495 HG12 VAL 63 2HG1 VAL 63 18.738 4.128 4.878 496 HG13 VAL 63 3HG1 VAL 63 18.616 2.385 5.118 497 HG21 VAL 63 3HG2 VAL 63 14.925 2.223 5.014 498 HG22 VAL 63 1HG2 VAL 63 15.862 2.327 6.505 499 HG23 VAL 63 2HG2 VAL 63 16.404 1.281 5.193 500 HA PRO 64 HA PRO 64 12.665 5.868 2.757 501 HB2 PRO 64 2HB PRO 64 13.694 4.002 0.650 502 HB3 PRO 64 1HB PRO 64 12.905 5.575 0.471 503 HG2 PRO 64 2HG PRO 64 15.530 5.365 0.158 504 HG3 PRO 64 1HG PRO 64 14.843 6.752 1.024 505 HD2 PRO 64 2HD PRO 64 16.229 4.336 2.111 506 HD3 PRO 64 1HD PRO 64 16.295 6.022 2.666 507 H GLY 65 H GLY 65 10.927 4.878 3.589 508 HA2 GLY 65 2HA GLY 65 10.862 2.070 4.180 509 HA3 GLY 65 1HA GLY 65 9.554 3.216 4.418 510 H LEU 66 H LEU 66 10.729 0.647 2.523 511 HA LEU 66 HA LEU 66 8.768 1.201 0.379 512 HG LEU 66 HG LEU 66 11.886 1.632 0.257 513 HB2 LEU 66 2HB LEU 66 11.109 -0.713 0.400 514 HB3 LEU 66 1HB LEU 66 10.031 -0.432 -0.955 515 HD11 LEU 66 1HD1 LEU 66 13.094 -0.131 -0.939 516 HD12 LEU 66 2HD1 LEU 66 13.176 1.409 -1.792 517 HD13 LEU 66 3HD1 LEU 66 12.086 0.144 -2.361 518 HD21 LEU 66 3HD2 LEU 66 10.087 1.773 -2.163 519 HD22 LEU 66 1HD2 LEU 66 11.273 2.995 -1.697 520 HD23 LEU 66 2HD2 LEU 66 9.890 2.667 -0.653 521 H TRP 67 H TRP 67 7.596 -0.726 -0.511 522 HA TRP 67 HA TRP 67 6.918 -2.634 1.648 523 HD1 TRP 67 HD1 TRP 67 5.284 1.174 0.482 524 HE1 TRP 67 HE1 TRP 67 4.780 2.400 2.682 525 HE3 TRP 67 HE3 TRP 67 4.607 -2.881 3.525 526 HZ2 TRP 67 HZ2 TRP 67 4.184 1.737 5.364 527 HZ3 TRP 67 HZ3 TRP 67 4.071 -2.498 5.898 528 HH2 TRP 67 HH2 TRP 67 3.865 -0.234 6.796 529 HB2 TRP 67 2HB TRP 67 4.996 -1.332 -0.300 530 HB3 TRP 67 1HB TRP 67 4.569 -2.526 0.924 531 H ARG 68 H ARG 68 6.907 -4.736 1.137 532 HA ARG 68 HA ARG 68 6.528 -5.523 -1.688 533 HE ARG 68 HE ARG 68 10.758 -6.588 0.400 534 HB2 ARG 68 2HB ARG 68 8.478 -6.669 0.318 535 HB3 ARG 68 1HB ARG 68 7.975 -7.561 -1.110 536 HG2 ARG 68 2HG ARG 68 8.809 -5.642 -2.496 537 HG3 ARG 68 1HG ARG 68 9.478 -4.952 -1.015 538 HD2 ARG 68 2HD ARG 68 10.156 -7.699 -2.071 539 HD3 ARG 68 1HD ARG 68 11.117 -6.254 -2.377 540 HH11 ARG 68 1HH1 ARG 68 12.407 -8.081 -2.233 541 HH12 ARG 68 2HH1 ARG 68 13.754 -8.557 -1.257 542 HH21 ARG 68 1HH2 ARG 68 12.498 -7.218 1.641 543 HH22 ARG 68 2HH2 ARG 68 13.807 -8.079 0.904 544 H LEU 69 H LEU 69 4.725 -6.705 -1.952 545 HA LEU 69 HA LEU 69 3.243 -7.693 0.270 546 HG LEU 69 HG LEU 69 3.722 -7.371 -3.371 547 HB2 LEU 69 2HB LEU 69 1.770 -8.725 -1.511 548 HB3 LEU 69 1HB LEU 69 1.948 -6.985 -1.545 549 HD11 LEU 69 1HD1 LEU 69 3.424 -9.412 -4.709 550 HD12 LEU 69 2HD1 LEU 69 2.361 -10.064 -3.460 551 HD13 LEU 69 3HD1 LEU 69 4.059 -9.753 -3.098 552 HD21 LEU 69 3HD2 LEU 69 1.995 -7.494 -5.117 553 HD22 LEU 69 1HD2 LEU 69 1.557 -6.385 -3.817 554 HD23 LEU 69 2HD2 LEU 69 0.815 -7.984 -3.901 555 H LEU 70 H LEU 70 2.741 -9.839 0.846 556 HA LEU 70 HA LEU 70 5.003 -11.618 0.597 557 HG LEU 70 HG LEU 70 3.553 -10.087 3.032 558 HB2 LEU 70 2HB LEU 70 2.394 -12.017 2.076 559 HB3 LEU 70 1HB LEU 70 3.840 -12.998 2.251 560 HD11 LEU 70 1HD1 LEU 70 3.857 -12.573 4.716 561 HD12 LEU 70 2HD1 LEU 70 2.398 -11.593 4.550 562 HD13 LEU 70 3HD1 LEU 70 3.834 -10.913 5.317 563 HD21 LEU 70 3HD2 LEU 70 5.810 -10.529 2.229 564 HD22 LEU 70 1HD2 LEU 70 5.933 -11.932 3.291 565 HD23 LEU 70 2HD2 LEU 70 5.809 -10.312 3.979 566 H GLU 71 H GLU 71 4.909 -12.181 -1.610 567 HA GLU 71 HA GLU 71 4.494 -13.555 -3.358 568 HB2 GLU 71 2HB GLU 71 3.135 -15.241 -1.245 569 HB3 GLU 71 1HB GLU 71 3.553 -15.797 -2.861 570 HG2 GLU 71 2HG GLU 71 5.927 -15.385 -2.383 571 HG3 GLU 71 1HG GLU 71 5.499 -14.853 -0.757 Start of MODEL 6 1 HA MET 1 HA MET 1 -21.373 -1.690 -3.486 2 H1 MET 1 1H MET 1 -22.661 -3.699 -3.416 3 H2 MET 1 2H MET 1 -23.395 -2.508 -2.468 4 H3 MET 1 3H MET 1 -22.543 -3.771 -1.728 5 HB2 MET 1 2HB MET 1 -21.308 -2.034 -0.482 6 HB3 MET 1 1HB MET 1 -20.196 -0.986 -1.348 7 HG2 MET 1 2HG MET 1 -22.073 0.348 -2.162 8 HG3 MET 1 1HG MET 1 -23.197 -0.712 -1.309 9 HE1 MET 1 3HE MET 1 -23.258 2.668 0.741 10 HE2 MET 1 1HE MET 1 -24.226 1.519 -0.182 11 HE3 MET 1 2HE MET 1 -23.021 2.514 -1.001 12 H SER 2 H SER 2 -20.170 -3.700 -0.791 13 HA SER 2 HA SER 2 -18.339 -5.024 -0.562 14 HG SER 2 HG SER 2 -16.662 -6.307 -2.585 15 HB2 SER 2 2HB SER 2 -19.493 -6.398 -2.292 16 HB3 SER 2 1HB SER 2 -18.611 -5.520 -3.542 17 H GLU 3 H GLU 3 -18.145 -2.140 -1.623 18 HA GLU 3 HA GLU 3 -15.639 -2.095 -3.055 19 HB2 GLU 3 2HB GLU 3 -17.287 0.162 -1.880 20 HB3 GLU 3 1HB GLU 3 -15.892 0.367 -2.935 21 HG2 GLU 3 2HG GLU 3 -17.040 -0.674 -4.765 22 HG3 GLU 3 1HG GLU 3 -18.386 -1.131 -3.726 23 H SER 4 H SER 4 -14.069 -2.938 -1.760 24 HA SER 4 HA SER 4 -13.671 -1.810 0.929 25 HG SER 4 HG SER 4 -12.471 -4.010 -1.406 26 HB2 SER 4 2HB SER 4 -12.159 -3.766 1.274 27 HB3 SER 4 1HB SER 4 -13.813 -4.229 0.881 28 H ILE 5 H ILE 5 -12.259 -0.211 1.124 29 HA ILE 5 HA ILE 5 -10.463 0.648 -0.845 30 HB ILE 5 HB ILE 5 -11.246 2.158 0.879 31 HG12 ILE 5 2HG1 ILE 5 -9.104 3.226 1.536 32 HG13 ILE 5 1HG1 ILE 5 -8.239 1.774 1.047 33 HG21 ILE 5 1HG2 ILE 5 -11.398 0.601 2.744 34 HG22 ILE 5 2HG2 ILE 5 -10.475 2.033 3.198 35 HG23 ILE 5 3HG2 ILE 5 -9.637 0.522 2.843 36 HD11 ILE 5 3HD1 ILE 5 -8.967 2.117 -1.255 37 HD12 ILE 5 1HD1 ILE 5 -8.099 3.522 -0.635 38 HD13 ILE 5 2HD1 ILE 5 -9.856 3.560 -0.761 39 H VAL 6 H VAL 6 -9.912 -1.470 1.957 40 HA VAL 6 HA VAL 6 -7.096 -1.513 1.854 41 HB VAL 6 HB VAL 6 -9.001 -3.627 2.890 42 HG11 VAL 6 1HG1 VAL 6 -7.085 -4.444 4.211 43 HG12 VAL 6 2HG1 VAL 6 -6.033 -3.305 3.368 44 HG13 VAL 6 3HG1 VAL 6 -6.814 -4.611 2.476 45 HG21 VAL 6 3HG2 VAL 6 -9.272 -1.481 4.007 46 HG22 VAL 6 1HG2 VAL 6 -7.536 -1.391 4.302 47 HG23 VAL 6 2HG2 VAL 6 -8.503 -2.636 5.094 48 H THR 7 H THR 7 -9.441 -3.878 0.512 49 HA THR 7 HA THR 7 -7.617 -5.573 -0.751 50 HB THR 7 HB THR 7 -10.378 -4.864 -1.788 51 HG1 THR 7 HG1 THR 7 -11.162 -6.086 -0.239 52 HG21 THR 7 3HG2 THR 7 -8.698 -7.351 -2.175 53 HG22 THR 7 1HG2 THR 7 -9.037 -6.133 -3.404 54 HG23 THR 7 2HG2 THR 7 -10.346 -7.119 -2.753 55 H LYS 8 H LYS 8 -9.041 -2.540 -1.910 56 HA LYS 8 HA LYS 8 -7.971 -2.632 -4.527 57 HB2 LYS 8 2HB LYS 8 -9.795 -1.121 -3.918 58 HB3 LYS 8 1HB LYS 8 -8.733 -0.248 -2.822 59 HG2 LYS 8 2HG LYS 8 -7.450 0.631 -4.631 60 HG3 LYS 8 1HG LYS 8 -8.240 -0.441 -5.790 61 HD2 LYS 8 2HD LYS 8 -9.106 1.852 -5.944 62 HD3 LYS 8 1HD LYS 8 -10.360 0.714 -5.450 63 HE2 LYS 8 2HE LYS 8 -10.051 1.411 -3.109 64 HE3 LYS 8 1HE LYS 8 -8.816 2.563 -3.620 65 HZ1 LYS 8 3HZ LYS 8 -11.673 2.609 -4.435 66 HZ2 LYS 8 1HZ LYS 8 -10.490 3.713 -4.931 67 HZ3 LYS 8 2HZ LYS 8 -10.951 3.639 -3.307 68 H ILE 9 H ILE 9 -6.733 -1.204 -1.509 69 HA ILE 9 HA ILE 9 -4.352 -0.115 -2.516 70 HB ILE 9 HB ILE 9 -5.009 -1.204 0.226 71 HG12 ILE 9 2HG1 ILE 9 -4.775 1.628 -0.841 72 HG13 ILE 9 1HG1 ILE 9 -6.281 0.779 -0.504 73 HG21 ILE 9 1HG2 ILE 9 -3.001 0.032 1.027 74 HG22 ILE 9 2HG2 ILE 9 -2.529 0.277 -0.656 75 HG23 ILE 9 3HG2 ILE 9 -2.619 -1.355 0.007 76 HD11 ILE 9 3HD1 ILE 9 -4.195 1.579 1.514 77 HD12 ILE 9 1HD1 ILE 9 -5.670 0.679 1.869 78 HD13 ILE 9 2HD1 ILE 9 -5.771 2.331 1.265 79 H ILE 10 H ILE 10 -4.968 -3.377 -1.191 80 HA ILE 10 HA ILE 10 -2.403 -4.450 -1.467 81 HB ILE 10 HB ILE 10 -5.046 -5.879 -1.884 82 HG12 ILE 10 2HG1 ILE 10 -3.371 -5.577 0.631 83 HG13 ILE 10 1HG1 ILE 10 -4.876 -4.725 0.307 84 HG21 ILE 10 1HG2 ILE 10 -2.317 -7.000 -1.209 85 HG22 ILE 10 2HG2 ILE 10 -3.161 -7.171 -2.750 86 HG23 ILE 10 3HG2 ILE 10 -3.818 -7.923 -1.296 87 HD11 ILE 10 3HD1 ILE 10 -4.577 -7.713 0.578 88 HD12 ILE 10 1HD1 ILE 10 -6.084 -6.838 0.298 89 HD13 ILE 10 2HD1 ILE 10 -5.204 -6.616 1.809 90 H SER 11 H SER 11 -5.062 -4.328 -3.824 91 HA SER 11 HA SER 11 -3.673 -5.617 -5.934 92 HG SER 11 HG SER 11 -6.919 -5.442 -5.152 93 HB2 SER 11 2HB SER 11 -6.043 -3.733 -6.041 94 HB3 SER 11 1HB SER 11 -5.473 -4.719 -7.390 95 H ILE 12 H ILE 12 -3.794 -2.246 -4.910 96 HA ILE 12 HA ILE 12 -2.542 -1.092 -7.167 97 HB ILE 12 HB ILE 12 -2.497 -0.256 -4.259 98 HG12 ILE 12 2HG1 ILE 12 -4.017 0.888 -6.624 99 HG13 ILE 12 1HG1 ILE 12 -4.702 -0.226 -5.446 100 HG21 ILE 12 1HG2 ILE 12 -0.518 0.645 -5.369 101 HG22 ILE 12 2HG2 ILE 12 -1.673 1.929 -5.025 102 HG23 ILE 12 3HG2 ILE 12 -1.523 1.298 -6.666 103 HD11 ILE 12 3HD1 ILE 12 -5.347 2.065 -4.977 104 HD12 ILE 12 1HD1 ILE 12 -3.651 2.534 -4.858 105 HD13 ILE 12 2HD1 ILE 12 -4.343 1.419 -3.680 106 H VAL 13 H VAL 13 -1.181 -2.462 -4.174 107 HA VAL 13 HA VAL 13 1.539 -2.054 -4.691 108 HB VAL 13 HB VAL 13 0.277 -4.420 -3.268 109 HG11 VAL 13 1HG1 VAL 13 2.435 -4.613 -2.099 110 HG12 VAL 13 2HG1 VAL 13 3.090 -3.321 -3.105 111 HG13 VAL 13 3HG1 VAL 13 2.612 -4.853 -3.838 112 HG21 VAL 13 3HG2 VAL 13 -0.434 -2.270 -2.326 113 HG22 VAL 13 1HG2 VAL 13 1.252 -1.781 -2.155 114 HG23 VAL 13 2HG2 VAL 13 0.626 -3.136 -1.213 115 H GLN 14 H GLN 14 -0.529 -4.831 -5.549 116 HA GLN 14 HA GLN 14 1.390 -6.324 -6.967 117 HB2 GLN 14 2HB GLN 14 -0.759 -7.265 -6.261 118 HB3 GLN 14 1HB GLN 14 -1.616 -6.185 -7.354 119 HG2 GLN 14 2HG GLN 14 -0.564 -7.288 -9.269 120 HG3 GLN 14 1HG GLN 14 0.308 -8.360 -8.174 121 HE21 GLN 14 1HE2 GLN 14 -0.615 -10.191 -9.038 122 HE22 GLN 14 2HE2 GLN 14 -2.270 -10.615 -8.792 123 H GLU 15 H GLU 15 -0.940 -3.893 -8.094 124 HA GLU 15 HA GLU 15 -0.456 -4.031 -10.831 125 HB2 GLU 15 2HB GLU 15 -2.285 -2.747 -9.640 126 HB3 GLU 15 1HB GLU 15 -1.093 -1.500 -9.301 127 HG2 GLU 15 2HG GLU 15 -2.385 -0.852 -11.215 128 HG3 GLU 15 1HG GLU 15 -0.741 -1.221 -11.733 129 H ARG 16 H ARG 16 1.139 -1.977 -8.393 130 HA ARG 16 HA ARG 16 2.873 -0.627 -10.147 131 HE ARG 16 HE ARG 16 0.625 2.488 -8.800 132 HB2 ARG 16 2HB ARG 16 3.129 -1.248 -7.200 133 HB3 ARG 16 1HB ARG 16 4.254 -0.212 -8.070 134 HG2 ARG 16 2HG ARG 16 1.285 0.309 -7.938 135 HG3 ARG 16 1HG ARG 16 2.445 0.983 -6.790 136 HD2 ARG 16 2HD ARG 16 3.542 2.228 -8.500 137 HD3 ARG 16 1HD ARG 16 2.679 1.372 -9.776 138 HH11 ARG 16 1HH1 ARG 16 3.749 3.942 -8.572 139 HH12 ARG 16 2HH1 ARG 16 3.127 5.547 -8.621 140 HH21 ARG 16 1HH2 ARG 16 -0.153 4.560 -8.855 141 HH22 ARG 16 2HH2 ARG 16 0.938 5.898 -8.748 142 H GLN 17 H GLN 17 3.263 -3.741 -8.463 143 HA GLN 17 HA GLN 17 5.951 -4.121 -9.407 144 HB2 GLN 17 2HB GLN 17 3.961 -6.021 -8.165 145 HB3 GLN 17 1HB GLN 17 5.577 -6.515 -8.657 146 HG2 GLN 17 2HG GLN 17 6.494 -4.737 -7.152 147 HG3 GLN 17 1HG GLN 17 4.852 -4.472 -6.567 148 HE21 GLN 17 1HE2 GLN 17 5.470 -5.064 -4.470 149 HE22 GLN 17 2HE2 GLN 17 5.762 -6.712 -4.045 150 H ASN 18 H ASN 18 2.794 -4.764 -10.747 151 HA ASN 18 HA ASN 18 3.670 -6.421 -12.904 152 HB2 ASN 18 2HB ASN 18 1.303 -4.532 -12.714 153 HB3 ASN 18 1HB ASN 18 1.555 -5.689 -14.016 154 HD21 ASN 18 1HD2 ASN 18 -0.612 -5.457 -12.063 155 HD22 ASN 18 2HD2 ASN 18 -0.688 -6.990 -11.272 156 H MET 19 H MET 19 3.444 -2.957 -12.382 157 HA MET 19 HA MET 19 4.181 -2.093 -14.984 158 HB2 MET 19 2HB MET 19 4.520 -0.704 -12.305 159 HB3 MET 19 1HB MET 19 4.637 0.074 -13.878 160 HG2 MET 19 2HG MET 19 2.330 -0.236 -14.312 161 HG3 MET 19 1HG MET 19 2.153 -1.347 -12.956 162 HE1 MET 19 3HE MET 19 4.181 2.037 -12.948 163 HE2 MET 19 1HE MET 19 2.935 3.179 -12.442 164 HE3 MET 19 2HE MET 19 2.819 2.382 -14.013 165 H ASP 20 H ASP 20 6.087 -2.446 -11.989 166 HA ASP 20 HA ASP 20 8.527 -2.728 -13.633 167 HB2 ASP 20 2HB ASP 20 8.222 -1.437 -10.910 168 HB3 ASP 20 1HB ASP 20 9.774 -1.805 -11.655 169 H ASP 21 H ASP 21 9.336 -4.706 -13.541 170 HA ASP 21 HA ASP 21 8.259 -6.894 -12.402 171 HB2 ASP 21 2HB ASP 21 11.236 -6.528 -12.798 172 HB3 ASP 21 1HB ASP 21 10.358 -8.054 -12.794 173 H GLY 22 H GLY 22 10.993 -5.128 -10.913 174 HA2 GLY 22 2HA GLY 22 10.375 -6.518 -8.365 175 HA3 GLY 22 1HA GLY 22 12.017 -6.196 -8.896 176 H ALA 23 H ALA 23 9.046 -4.210 -8.673 177 HA ALA 23 HA ALA 23 10.649 -2.112 -7.372 178 HB1 ALA 23 3HB ALA 23 9.442 -1.453 -9.374 179 HB2 ALA 23 1HB ALA 23 8.827 -0.595 -7.963 180 HB3 ALA 23 2HB ALA 23 7.917 -1.947 -8.639 181 HA PRO 24 HA PRO 24 8.381 -3.135 -3.540 182 HB2 PRO 24 2HB PRO 24 10.029 -1.679 -1.937 183 HB3 PRO 24 1HB PRO 24 10.407 -3.328 -2.447 184 HG2 PRO 24 2HG PRO 24 11.393 -0.727 -3.567 185 HG3 PRO 24 1HG PRO 24 12.306 -2.208 -3.218 186 HD2 PRO 24 2HD PRO 24 11.489 -1.565 -5.721 187 HD3 PRO 24 1HD PRO 24 11.610 -3.247 -5.162 188 H VAL 25 H VAL 25 6.599 -1.950 -3.037 189 HA VAL 25 HA VAL 25 6.294 0.578 -4.392 190 HB VAL 25 HB VAL 25 4.260 -0.873 -2.684 191 HG11 VAL 25 1HG1 VAL 25 2.624 0.340 -4.073 192 HG12 VAL 25 2HG1 VAL 25 3.947 1.188 -4.874 193 HG13 VAL 25 3HG1 VAL 25 3.655 1.435 -3.152 194 HG21 VAL 25 3HG2 VAL 25 5.122 -2.364 -4.428 195 HG22 VAL 25 1HG2 VAL 25 4.770 -1.141 -5.654 196 HG23 VAL 25 2HG2 VAL 25 3.453 -1.895 -4.755 197 H LYS 26 H LYS 26 5.913 2.580 -3.528 198 HA LYS 26 HA LYS 26 6.616 2.939 -0.700 199 HB2 LYS 26 2HB LYS 26 6.368 5.030 -2.883 200 HB3 LYS 26 1HB LYS 26 6.963 5.299 -1.254 201 HG2 LYS 26 2HG LYS 26 8.859 5.224 -2.651 202 HG3 LYS 26 1HG LYS 26 8.831 3.691 -1.780 203 HD2 LYS 26 2HD LYS 26 8.064 2.511 -3.692 204 HD3 LYS 26 1HD LYS 26 7.675 4.006 -4.549 205 HE2 LYS 26 2HE LYS 26 10.467 3.166 -3.753 206 HE3 LYS 26 1HE LYS 26 9.761 2.894 -5.346 207 HZ1 LYS 26 3HZ LYS 26 10.160 5.559 -4.088 208 HZ2 LYS 26 1HZ LYS 26 9.539 5.274 -5.634 209 HZ3 LYS 26 2HZ LYS 26 11.146 4.887 -5.283 210 H THR 27 H THR 27 5.357 4.196 0.708 211 HA THR 27 HA THR 27 2.598 4.010 0.642 212 HB THR 27 HB THR 27 4.186 6.199 2.014 213 HG1 THR 27 HG1 THR 27 4.995 4.477 2.986 214 HG21 THR 27 3HG2 THR 27 1.452 5.050 2.636 215 HG22 THR 27 1HG2 THR 27 1.785 6.667 2.009 216 HG23 THR 27 2HG2 THR 27 2.319 6.221 3.630 217 H ARG 28 H ARG 28 4.653 6.586 -0.638 218 HA ARG 28 HA ARG 28 2.624 8.475 -1.180 219 HE ARG 28 HE ARG 28 7.315 8.730 -2.255 220 HB2 ARG 28 2HB ARG 28 5.280 8.127 -2.590 221 HB3 ARG 28 1HB ARG 28 4.264 9.562 -2.651 222 HG2 ARG 28 2HG ARG 28 4.545 9.782 -0.180 223 HG3 ARG 28 1HG ARG 28 5.700 8.450 -0.244 224 HD2 ARG 28 2HD ARG 28 5.953 11.087 -1.694 225 HD3 ARG 28 1HD ARG 28 6.822 10.629 -0.232 226 HH11 ARG 28 1HH1 ARG 28 8.113 11.963 -1.353 227 HH12 ARG 28 2HH1 ARG 28 9.573 11.968 -2.278 228 HH21 ARG 28 1HH2 ARG 28 9.213 8.743 -3.398 229 HH22 ARG 28 2HH2 ARG 28 10.202 10.166 -3.402 230 H ASP 29 H ASP 29 4.066 5.956 -3.258 231 HA ASP 29 HA ASP 29 2.654 6.561 -5.615 232 HB2 ASP 29 2HB ASP 29 3.799 3.936 -4.628 233 HB3 ASP 29 1HB ASP 29 3.161 4.175 -6.251 234 H ILE 30 H ILE 30 1.835 4.398 -2.921 235 HA ILE 30 HA ILE 30 -0.556 3.369 -4.044 236 HB ILE 30 HB ILE 30 0.143 3.660 -1.110 237 HG12 ILE 30 2HG1 ILE 30 0.572 1.345 -3.024 238 HG13 ILE 30 1HG1 ILE 30 1.836 2.398 -2.401 239 HG21 ILE 30 1HG2 ILE 30 -1.873 1.881 -2.498 240 HG22 ILE 30 2HG2 ILE 30 -2.244 3.253 -1.453 241 HG23 ILE 30 3HG2 ILE 30 -1.467 1.818 -0.783 242 HD11 ILE 30 3HD1 ILE 30 0.127 0.528 -0.777 243 HD12 ILE 30 1HD1 ILE 30 1.387 1.587 -0.144 244 HD13 ILE 30 2HD1 ILE 30 1.810 0.277 -1.247 245 H ALA 31 H ALA 31 0.029 6.109 -1.833 246 HA ALA 31 HA ALA 31 -2.627 7.002 -1.602 247 HB1 ALA 31 3HB ALA 31 -1.652 9.168 -0.973 248 HB2 ALA 31 1HB ALA 31 -0.080 8.638 -1.574 249 HB3 ALA 31 2HB ALA 31 -0.811 7.835 -0.184 250 H ASP 32 H ASP 32 -0.169 7.622 -4.051 251 HA ASP 32 HA ASP 32 -1.506 9.531 -5.610 252 HB2 ASP 32 2HB ASP 32 0.802 9.202 -6.009 253 HB3 ASP 32 1HB ASP 32 0.607 7.465 -6.209 254 H ALA 33 H ALA 33 -1.462 5.972 -5.913 255 HA ALA 33 HA ALA 33 -3.224 5.870 -8.144 256 HB1 ALA 33 3HB ALA 33 -1.668 4.062 -7.599 257 HB2 ALA 33 1HB ALA 33 -3.328 3.476 -7.709 258 HB3 ALA 33 2HB ALA 33 -2.581 3.718 -6.130 259 H ALA 34 H ALA 34 -3.783 5.272 -4.667 260 HA ALA 34 HA ALA 34 -6.576 4.752 -4.977 261 HB1 ALA 34 3HB ALA 34 -6.640 4.682 -2.552 262 HB2 ALA 34 1HB ALA 34 -5.039 5.418 -2.468 263 HB3 ALA 34 2HB ALA 34 -5.233 3.804 -3.150 264 H GLY 35 H GLY 35 -4.764 7.674 -4.702 265 HA2 GLY 35 2HA GLY 35 -5.458 9.876 -4.753 266 HA3 GLY 35 1HA GLY 35 -7.113 9.305 -4.905 267 H LEU 36 H LEU 36 -4.792 8.661 -2.310 268 HA LEU 36 HA LEU 36 -6.602 10.023 -0.408 269 HG LEU 36 HG LEU 36 -6.980 6.968 -1.291 270 HB2 LEU 36 2HB LEU 36 -5.006 7.501 0.074 271 HB3 LEU 36 1HB LEU 36 -6.025 8.305 1.252 272 HD11 LEU 36 1HD1 LEU 36 -6.236 5.378 0.415 273 HD12 LEU 36 2HD1 LEU 36 -7.985 5.321 0.200 274 HD13 LEU 36 3HD1 LEU 36 -7.296 6.144 1.600 275 HD21 LEU 36 3HD2 LEU 36 -8.377 8.893 -0.713 276 HD22 LEU 36 1HD2 LEU 36 -8.571 8.270 0.927 277 HD23 LEU 36 2HD2 LEU 36 -9.237 7.378 -0.441 278 H SER 37 H SER 37 -5.378 10.350 1.799 279 HA SER 37 HA SER 37 -2.955 11.841 1.199 280 HG SER 37 HG SER 37 -3.003 13.780 3.577 281 HB2 SER 37 2HB SER 37 -4.648 12.826 2.701 282 HB3 SER 37 1HB SER 37 -4.407 11.504 3.842 283 H ILE 38 H ILE 38 -0.971 11.595 2.394 284 HA ILE 38 HA ILE 38 0.080 9.039 2.201 285 HB ILE 38 HB ILE 38 1.141 11.333 3.862 286 HG12 ILE 38 2HG1 ILE 38 0.856 11.909 1.491 287 HG13 ILE 38 1HG1 ILE 38 2.564 11.796 1.900 288 HG21 ILE 38 1HG2 ILE 38 2.184 9.255 4.564 289 HG22 ILE 38 2HG2 ILE 38 3.340 10.219 3.644 290 HG23 ILE 38 3HG2 ILE 38 2.543 8.838 2.888 291 HD11 ILE 38 3HD1 ILE 38 0.942 9.699 0.469 292 HD12 ILE 38 1HD1 ILE 38 2.653 9.573 0.886 293 HD13 ILE 38 2HD1 ILE 38 2.111 10.799 -0.261 294 H TYR 39 H TYR 39 -0.904 10.701 5.236 295 HA TYR 39 HA TYR 39 -0.010 8.598 6.917 296 HD1 TYR 39 HD1 TYR 39 0.982 9.345 9.187 297 HD2 TYR 39 HD2 TYR 39 -3.249 9.767 9.468 298 HE1 TYR 39 HE1 TYR 39 1.043 8.382 11.444 299 HE2 TYR 39 HE2 TYR 39 -3.194 8.808 11.732 300 HH TYR 39 HH TYR 39 -0.378 8.453 13.520 301 HB2 TYR 39 2HB TYR 39 -0.385 10.951 7.688 302 HB3 TYR 39 1HB TYR 39 -2.120 10.659 7.596 303 H GLN 40 H GLN 40 -3.260 9.416 5.712 304 HA GLN 40 HA GLN 40 -4.768 7.432 6.888 305 HB2 GLN 40 2HB GLN 40 -5.702 9.203 5.472 306 HB3 GLN 40 1HB GLN 40 -4.962 8.478 4.052 307 HG2 GLN 40 2HG GLN 40 -6.369 6.488 4.348 308 HG3 GLN 40 1HG GLN 40 -7.125 7.245 5.751 309 HE21 GLN 40 1HE2 GLN 40 -9.169 7.202 4.784 310 HE22 GLN 40 2HE2 GLN 40 -9.591 8.260 3.485 311 H VAL 41 H VAL 41 -3.142 7.178 3.715 312 HA VAL 41 HA VAL 41 -3.541 4.417 3.343 313 HB VAL 41 HB VAL 41 -1.280 6.146 2.301 314 HG11 VAL 41 1HG1 VAL 41 -1.042 4.462 0.538 315 HG12 VAL 41 2HG1 VAL 41 -2.287 3.475 1.305 316 HG13 VAL 41 3HG1 VAL 41 -0.755 3.760 2.130 317 HG21 VAL 41 3HG2 VAL 41 -3.446 7.033 1.660 318 HG22 VAL 41 1HG2 VAL 41 -3.954 5.445 1.080 319 HG23 VAL 41 2HG2 VAL 41 -2.657 6.310 0.258 320 H ARG 42 H ARG 42 -0.936 6.208 4.932 321 HA ARG 42 HA ARG 42 0.921 4.198 5.393 322 HE ARG 42 HE ARG 42 4.887 4.382 6.927 323 HB2 ARG 42 2HB ARG 42 0.998 6.736 5.957 324 HB3 ARG 42 1HB ARG 42 0.262 6.275 7.482 325 HG2 ARG 42 2HG ARG 42 2.538 6.383 7.954 326 HG3 ARG 42 1HG ARG 42 2.232 4.658 7.740 327 HD2 ARG 42 2HD ARG 42 3.087 4.783 5.448 328 HD3 ARG 42 1HD ARG 42 3.349 6.517 5.628 329 HH11 ARG 42 1HH1 ARG 42 4.471 7.748 6.247 330 HH12 ARG 42 2HH1 ARG 42 6.089 8.138 6.714 331 HH21 ARG 42 1HH2 ARG 42 6.937 4.915 7.524 332 HH22 ARG 42 2HH2 ARG 42 7.453 6.567 7.448 333 H LEU 43 H LEU 43 -1.966 5.055 7.271 334 HA LEU 43 HA LEU 43 -1.652 3.198 9.369 335 HG LEU 43 HG LEU 43 -2.763 6.117 9.132 336 HB2 LEU 43 2HB LEU 43 -4.186 4.355 8.185 337 HB3 LEU 43 1HB LEU 43 -4.106 3.467 9.696 338 HD11 LEU 43 1HD1 LEU 43 -5.184 6.314 9.349 339 HD12 LEU 43 2HD1 LEU 43 -4.364 7.024 10.740 340 HD13 LEU 43 3HD1 LEU 43 -5.130 5.441 10.880 341 HD21 LEU 43 3HD2 LEU 43 -1.421 4.795 10.663 342 HD22 LEU 43 1HD2 LEU 43 -2.841 4.460 11.656 343 HD23 LEU 43 2HD2 LEU 43 -2.217 6.105 11.535 344 H TYR 44 H TYR 44 -3.626 2.956 6.386 345 HA TYR 44 HA TYR 44 -4.528 0.335 6.753 346 HD1 TYR 44 HD2 TYR 44 -6.815 0.423 6.103 347 HD2 TYR 44 HD1 TYR 44 -5.196 3.661 3.862 348 HE1 TYR 44 HE2 TYR 44 -8.909 1.675 6.408 349 HE2 TYR 44 HE1 TYR 44 -7.287 4.918 4.158 350 HH TYR 44 HH TYR 44 -9.686 4.424 4.625 351 HB2 TYR 44 2HB TYR 44 -3.902 1.767 4.158 352 HB3 TYR 44 1HB TYR 44 -4.794 0.255 4.268 353 H LEU 45 H LEU 45 -1.475 1.488 5.422 354 HA LEU 45 HA LEU 45 -0.543 -1.040 4.506 355 HG LEU 45 HG LEU 45 -0.577 1.804 3.309 356 HB2 LEU 45 2HB LEU 45 0.974 1.477 5.202 357 HB3 LEU 45 1HB LEU 45 1.667 0.084 4.388 358 HD11 LEU 45 1HD1 LEU 45 2.313 1.616 2.478 359 HD12 LEU 45 2HD1 LEU 45 1.557 2.970 3.319 360 HD13 LEU 45 3HD1 LEU 45 1.061 2.566 1.676 361 HD21 LEU 45 3HD2 LEU 45 -0.758 -0.529 2.593 362 HD22 LEU 45 1HD2 LEU 45 0.913 -0.491 2.028 363 HD23 LEU 45 2HD2 LEU 45 -0.306 0.522 1.250 364 H GLU 46 H GLU 46 -0.023 0.764 7.544 365 HA GLU 46 HA GLU 46 1.652 -1.124 8.795 366 HB2 GLU 46 2HB GLU 46 -0.305 0.895 9.883 367 HB3 GLU 46 1HB GLU 46 0.563 -0.194 10.956 368 HG2 GLU 46 2HG GLU 46 1.842 1.751 9.040 369 HG3 GLU 46 1HG GLU 46 1.635 2.003 10.772 370 H GLN 47 H GLN 47 -1.877 -0.945 8.554 371 HA GLN 47 HA GLN 47 -2.495 -3.184 10.141 372 HB2 GLN 47 2HB GLN 47 -3.928 -2.085 7.707 373 HB3 GLN 47 1HB GLN 47 -4.604 -3.285 8.804 374 HG2 GLN 47 2HG GLN 47 -4.424 -1.657 10.652 375 HG3 GLN 47 1HG GLN 47 -3.820 -0.458 9.510 376 HE21 GLN 47 1HE2 GLN 47 -6.600 -2.311 10.515 377 HE22 GLN 47 2HE2 GLN 47 -7.775 -1.341 9.701 378 H LEU 48 H LEU 48 -2.108 -3.005 6.580 379 HA LEU 48 HA LEU 48 -2.196 -5.743 6.031 380 HG LEU 48 HG LEU 48 -3.085 -3.170 4.561 381 HB2 LEU 48 2HB LEU 48 -0.646 -3.561 4.628 382 HB3 LEU 48 1HB LEU 48 -0.890 -5.173 3.980 383 HD11 LEU 48 1HD1 LEU 48 -3.320 -3.023 2.141 384 HD12 LEU 48 2HD1 LEU 48 -1.958 -4.125 1.928 385 HD13 LEU 48 3HD1 LEU 48 -1.701 -2.534 2.645 386 HD21 LEU 48 3HD2 LEU 48 -4.544 -4.775 3.405 387 HD22 LEU 48 1HD2 LEU 48 -3.855 -5.459 4.878 388 HD23 LEU 48 2HD2 LEU 48 -3.203 -5.916 3.304 389 H HIS 49 H HIS 49 0.446 -3.774 7.198 390 HA HIS 49 HA HIS 49 2.562 -5.605 6.896 391 HD1 HIS 49 HD1 HIS 49 2.930 -4.347 10.962 392 HD2 HIS 49 HD2 HIS 49 5.686 -4.324 7.856 393 HE1 HIS 49 HE1 HIS 49 5.133 -4.871 12.025 394 HE2 HIS 49 HE2 HIS 49 6.808 -4.578 10.174 395 HB2 HIS 49 2HB HIS 49 3.121 -3.356 7.362 396 HB3 HIS 49 1HB HIS 49 2.059 -3.290 8.762 397 H ASP 50 H ASP 50 0.427 -5.015 9.716 398 HA ASP 50 HA ASP 50 1.682 -7.076 11.279 399 HB2 ASP 50 2HB ASP 50 -0.722 -5.315 11.709 400 HB3 ASP 50 1HB ASP 50 -0.302 -6.590 12.847 401 H VAL 51 H VAL 51 -1.385 -6.889 9.470 402 HA VAL 51 HA VAL 51 -2.421 -9.338 10.470 403 HB VAL 51 HB VAL 51 -4.072 -9.245 8.697 404 HG11 VAL 51 1HG1 VAL 51 -4.411 -7.802 10.629 405 HG12 VAL 51 2HG1 VAL 51 -5.044 -7.042 9.169 406 HG13 VAL 51 3HG1 VAL 51 -3.504 -6.507 9.844 407 HG21 VAL 51 3HG2 VAL 51 -2.422 -6.998 7.523 408 HG22 VAL 51 1HG2 VAL 51 -4.015 -7.510 6.959 409 HG23 VAL 51 2HG2 VAL 51 -2.640 -8.605 6.830 410 H GLY 52 H GLY 52 0.025 -8.726 8.160 411 HA2 GLY 52 2HA GLY 52 1.494 -10.422 7.417 412 HA3 GLY 52 1HA GLY 52 0.217 -11.603 7.640 413 H VAL 53 H VAL 53 0.295 -8.570 5.761 414 HA VAL 53 HA VAL 53 -0.180 -10.154 3.305 415 HB VAL 53 HB VAL 53 -1.153 -7.350 3.933 416 HG11 VAL 53 1HG1 VAL 53 -1.531 -9.002 1.429 417 HG12 VAL 53 2HG1 VAL 53 -0.531 -7.558 1.577 418 HG13 VAL 53 3HG1 VAL 53 -2.280 -7.437 1.755 419 HG21 VAL 53 3HG2 VAL 53 -3.397 -8.332 3.798 420 HG22 VAL 53 1HG2 VAL 53 -2.441 -9.102 5.064 421 HG23 VAL 53 2HG2 VAL 53 -2.689 -9.926 3.525 422 H LEU 54 H LEU 54 1.426 -7.290 4.661 423 HA LEU 54 HA LEU 54 3.133 -7.178 2.254 424 HG LEU 54 HG LEU 54 0.635 -5.312 2.575 425 HB2 LEU 54 2HB LEU 54 2.426 -4.986 4.208 426 HB3 LEU 54 1HB LEU 54 3.601 -4.818 2.917 427 HD11 LEU 54 1HD1 LEU 54 2.344 -2.883 2.021 428 HD12 LEU 54 2HD1 LEU 54 1.100 -3.041 3.260 429 HD13 LEU 54 3HD1 LEU 54 0.651 -3.062 1.555 430 HD21 LEU 54 3HD2 LEU 54 2.778 -4.938 0.474 431 HD22 LEU 54 1HD2 LEU 54 1.045 -5.067 0.178 432 HD23 LEU 54 2HD2 LEU 54 1.931 -6.445 0.830 433 H GLU 55 H GLU 55 5.262 -7.395 2.420 434 HA GLU 55 HA GLU 55 6.512 -7.861 5.012 435 HB2 GLU 55 2HB GLU 55 6.991 -9.429 3.189 436 HB3 GLU 55 1HB GLU 55 7.553 -8.111 2.172 437 HG2 GLU 55 2HG GLU 55 9.447 -9.305 3.019 438 HG3 GLU 55 1HG GLU 55 9.403 -7.713 3.768 439 H LYS 56 H LYS 56 8.249 -6.587 5.812 440 HA LYS 56 HA LYS 56 8.153 -3.832 4.810 441 HB2 LYS 56 2HB LYS 56 8.804 -3.064 6.937 442 HB3 LYS 56 1HB LYS 56 7.668 -4.360 7.246 443 HG2 LYS 56 2HG LYS 56 10.673 -4.608 7.450 444 HG3 LYS 56 1HG LYS 56 9.583 -4.329 8.803 445 HD2 LYS 56 2HD LYS 56 9.563 -6.756 7.002 446 HD3 LYS 56 1HD LYS 56 10.260 -6.686 8.620 447 HE2 LYS 56 2HE LYS 56 8.066 -6.237 9.573 448 HE3 LYS 56 1HE LYS 56 7.348 -6.217 7.963 449 HZ1 LYS 56 3HZ LYS 56 8.623 -8.553 9.279 450 HZ2 LYS 56 1HZ LYS 56 8.003 -8.547 7.707 451 HZ3 LYS 56 2HZ LYS 56 6.967 -8.330 9.024 452 H VAL 57 H VAL 57 9.589 -3.465 3.252 453 HA VAL 57 HA VAL 57 12.247 -4.615 3.316 454 HB VAL 57 HB VAL 57 11.153 -2.542 1.399 455 HG11 VAL 57 1HG1 VAL 57 12.892 -3.404 -0.133 456 HG12 VAL 57 2HG1 VAL 57 13.505 -4.422 1.172 457 HG13 VAL 57 3HG1 VAL 57 13.571 -2.665 1.320 458 HG21 VAL 57 3HG2 VAL 57 9.742 -4.530 1.397 459 HG22 VAL 57 1HG2 VAL 57 11.159 -5.550 1.139 460 HG23 VAL 57 2HG2 VAL 57 10.656 -4.405 -0.107 461 H ASN 58 H ASN 58 12.748 -3.662 5.398 462 HA ASN 58 HA ASN 58 14.639 -1.637 5.239 463 HB2 ASN 58 2HB ASN 58 12.652 -0.127 4.962 464 HB3 ASN 58 1HB ASN 58 12.101 -0.617 6.560 465 HD21 ASN 58 1HD2 ASN 58 12.254 1.451 7.403 466 HD22 ASN 58 2HD2 ASN 58 13.762 2.231 7.706 467 H ALA 59 H ALA 59 12.240 -1.925 7.872 468 HA ALA 59 HA ALA 59 13.650 -3.832 9.412 469 HB1 ALA 59 3HB ALA 59 14.612 -2.423 11.145 470 HB2 ALA 59 1HB ALA 59 14.096 -0.973 10.280 471 HB3 ALA 59 2HB ALA 59 15.317 -2.036 9.578 472 H GLY 60 H GLY 60 12.147 -4.722 10.676 473 HA2 GLY 60 2HA GLY 60 10.450 -4.985 12.190 474 HA3 GLY 60 1HA GLY 60 10.929 -3.420 12.802 475 H LYS 61 H LYS 61 9.572 -1.712 12.537 476 HA LYS 61 HA LYS 61 7.368 -1.696 10.694 477 HB2 LYS 61 2HB LYS 61 5.549 -1.886 12.260 478 HB3 LYS 61 1HB LYS 61 6.558 -3.313 12.410 479 HG2 LYS 61 2HG LYS 61 6.654 -0.952 14.286 480 HG3 LYS 61 1HG LYS 61 5.737 -2.429 14.574 481 HD2 LYS 61 2HD LYS 61 7.840 -3.723 14.501 482 HD3 LYS 61 1HD LYS 61 8.739 -2.221 14.265 483 HE2 LYS 61 2HE LYS 61 8.838 -2.867 16.600 484 HE3 LYS 61 1HE LYS 61 7.881 -1.396 16.431 485 HZ1 LYS 61 3HZ LYS 61 5.874 -2.712 16.606 486 HZ2 LYS 61 1HZ LYS 61 6.864 -2.979 17.948 487 HZ3 LYS 61 2HZ LYS 61 6.777 -4.136 16.719 488 H GLY 62 H GLY 62 5.933 0.224 11.023 489 HA2 GLY 62 2HA GLY 62 5.527 2.428 11.586 490 HA3 GLY 62 1HA GLY 62 6.727 2.291 12.859 491 H VAL 63 H VAL 63 9.061 1.892 11.675 492 HA VAL 63 HA VAL 63 9.868 4.352 10.675 493 HB VAL 63 HB VAL 63 11.987 3.248 10.052 494 HG11 VAL 63 1HG1 VAL 63 10.866 2.305 12.698 495 HG12 VAL 63 2HG1 VAL 63 11.595 3.880 12.383 496 HG13 VAL 63 3HG1 VAL 63 12.577 2.417 12.282 497 HG21 VAL 63 3HG2 VAL 63 12.268 0.830 10.384 498 HG22 VAL 63 1HG2 VAL 63 11.078 1.169 9.126 499 HG23 VAL 63 2HG2 VAL 63 10.547 0.672 10.734 500 HA PRO 64 HA PRO 64 8.854 4.595 6.366 501 HB2 PRO 64 2HB PRO 64 11.684 5.413 5.892 502 HB3 PRO 64 1HB PRO 64 10.183 6.238 5.454 503 HG2 PRO 64 2HG PRO 64 11.664 7.112 7.488 504 HG3 PRO 64 1HG PRO 64 9.892 7.124 7.582 505 HD2 PRO 64 2HD PRO 64 11.844 5.232 8.842 506 HD3 PRO 64 1HD PRO 64 10.334 5.901 9.498 507 H GLY 65 H GLY 65 8.572 2.478 5.695 508 HA2 GLY 65 2HA GLY 65 10.973 1.136 4.596 509 HA3 GLY 65 1HA GLY 65 9.715 0.252 5.445 510 H LEU 66 H LEU 66 10.722 -0.089 2.705 511 HA LEU 66 HA LEU 66 8.540 0.770 0.999 512 HG LEU 66 HG LEU 66 11.741 1.073 0.975 513 HB2 LEU 66 2HB LEU 66 10.805 -1.136 0.378 514 HB3 LEU 66 1HB LEU 66 9.739 -0.366 -0.782 515 HD11 LEU 66 1HD1 LEU 66 12.976 1.471 -1.090 516 HD12 LEU 66 2HD1 LEU 66 11.807 0.500 -1.989 517 HD13 LEU 66 3HD1 LEU 66 12.824 -0.254 -0.759 518 HD21 LEU 66 3HD2 LEU 66 9.963 2.129 -1.230 519 HD22 LEU 66 1HD2 LEU 66 11.189 3.047 -0.356 520 HD23 LEU 66 2HD2 LEU 66 9.769 2.442 0.494 521 H TRP 67 H TRP 67 6.943 -0.550 0.130 522 HA TRP 67 HA TRP 67 6.305 -2.822 1.851 523 HD1 TRP 67 HD1 TRP 67 4.651 1.134 0.585 524 HE1 TRP 67 HE1 TRP 67 4.430 2.416 2.807 525 HE3 TRP 67 HE3 TRP 67 4.524 -2.839 3.811 526 HZ2 TRP 67 HZ2 TRP 67 4.236 1.826 5.554 527 HZ3 TRP 67 HZ3 TRP 67 4.322 -2.388 6.223 528 HH2 TRP 67 HH2 TRP 67 4.180 -0.104 7.075 529 HB2 TRP 67 2HB TRP 67 4.527 -1.363 -0.118 530 HB3 TRP 67 1HB TRP 67 4.012 -2.509 1.121 531 H ARG 68 H ARG 68 6.737 -4.798 1.210 532 HA ARG 68 HA ARG 68 6.654 -5.471 -1.674 533 HE ARG 68 HE ARG 68 8.722 -8.538 -3.887 534 HB2 ARG 68 2HB ARG 68 8.872 -5.660 -0.441 535 HB3 ARG 68 1HB ARG 68 8.149 -6.945 0.512 536 HG2 ARG 68 2HG ARG 68 9.310 -8.100 -1.122 537 HG3 ARG 68 1HG ARG 68 7.670 -8.064 -1.775 538 HD2 ARG 68 2HD ARG 68 8.336 -6.035 -3.098 539 HD3 ARG 68 1HD ARG 68 9.987 -6.290 -2.543 540 HH11 ARG 68 1HH1 ARG 68 10.905 -5.873 -4.089 541 HH12 ARG 68 2HH1 ARG 68 11.619 -6.440 -5.556 542 HH21 ARG 68 1HH2 ARG 68 9.655 -9.263 -5.718 543 HH22 ARG 68 2HH2 ARG 68 10.934 -8.362 -6.458 544 H LEU 69 H LEU 69 4.730 -6.510 -2.107 545 HA LEU 69 HA LEU 69 3.148 -7.843 -0.221 546 HG LEU 69 HG LEU 69 4.119 -7.450 -3.796 547 HB2 LEU 69 2HB LEU 69 1.987 -8.864 -2.186 548 HB3 LEU 69 1HB LEU 69 2.118 -7.119 -2.226 549 HD11 LEU 69 1HD1 LEU 69 4.114 -9.542 -5.101 550 HD12 LEU 69 2HD1 LEU 69 2.956 -10.229 -3.962 551 HD13 LEU 69 3HD1 LEU 69 4.575 -9.790 -3.419 552 HD21 LEU 69 3HD2 LEU 69 2.662 -7.722 -5.756 553 HD22 LEU 69 1HD2 LEU 69 1.976 -6.617 -4.564 554 HD23 LEU 69 2HD2 LEU 69 1.359 -8.264 -4.697 555 H LEU 70 H LEU 70 2.660 -10.132 0.007 556 HA LEU 70 HA LEU 70 5.005 -11.712 0.284 557 HG LEU 70 HG LEU 70 2.561 -10.916 2.172 558 HB2 LEU 70 2HB LEU 70 2.104 -12.553 0.417 559 HB3 LEU 70 1HB LEU 70 3.463 -13.527 0.941 560 HD11 LEU 70 1HD1 LEU 70 2.031 -12.293 4.122 561 HD12 LEU 70 2HD1 LEU 70 2.496 -13.742 3.232 562 HD13 LEU 70 3HD1 LEU 70 1.103 -12.793 2.708 563 HD21 LEU 70 3HD2 LEU 70 4.992 -11.098 2.259 564 HD22 LEU 70 1HD2 LEU 70 4.865 -12.719 2.944 565 HD23 LEU 70 2HD2 LEU 70 4.296 -11.325 3.863 566 H GLU 71 H GLU 71 6.072 -12.231 -1.531 567 HA GLU 71 HA GLU 71 4.648 -13.379 -3.812 568 HB2 GLU 71 2HB GLU 71 6.943 -13.276 -4.909 569 HB3 GLU 71 1HB GLU 71 6.189 -11.740 -4.507 570 HG2 GLU 71 2HG GLU 71 7.605 -11.525 -2.542 571 HG3 GLU 71 1HG GLU 71 8.322 -13.105 -2.863 Start of MODEL 7 1 HA MET 1 HA MET 1 -18.747 2.486 5.480 2 H1 MET 1 1H MET 1 -20.203 1.120 4.099 3 H2 MET 1 2H MET 1 -20.817 1.310 5.664 4 H3 MET 1 3H MET 1 -20.089 -0.149 5.217 5 HB2 MET 1 2HB MET 1 -18.308 -0.047 7.080 6 HB3 MET 1 1HB MET 1 -17.561 1.520 7.359 7 HG2 MET 1 2HG MET 1 -19.299 1.115 8.983 8 HG3 MET 1 1HG MET 1 -19.756 2.454 7.929 9 HE1 MET 1 3HE MET 1 -23.133 0.554 8.861 10 HE2 MET 1 1HE MET 1 -22.303 2.108 8.933 11 HE3 MET 1 2HE MET 1 -21.705 0.743 9.876 12 H SER 2 H SER 2 -18.441 -0.934 4.580 13 HA SER 2 HA SER 2 -15.647 -0.731 3.938 14 HG SER 2 HG SER 2 -16.565 -3.944 5.093 15 HB2 SER 2 2HB SER 2 -17.646 -2.925 3.313 16 HB3 SER 2 1HB SER 2 -15.898 -3.046 3.095 17 H GLU 3 H GLU 3 -15.755 1.069 2.485 18 HA GLU 3 HA GLU 3 -17.002 0.717 -0.115 19 HB2 GLU 3 2HB GLU 3 -15.228 2.949 0.917 20 HB3 GLU 3 1HB GLU 3 -16.208 2.991 -0.545 21 HG2 GLU 3 2HG GLU 3 -18.239 2.890 0.743 22 HG3 GLU 3 1HG GLU 3 -17.327 2.665 2.235 23 H SER 4 H SER 4 -15.161 -1.282 0.291 24 HA SER 4 HA SER 4 -13.321 -2.347 -0.506 25 HG SER 4 HG SER 4 -13.641 0.379 -2.598 26 HB2 SER 4 2HB SER 4 -12.926 -2.117 -2.914 27 HB3 SER 4 1HB SER 4 -14.649 -2.169 -2.557 28 H ILE 5 H ILE 5 -12.656 0.065 1.016 29 HA ILE 5 HA ILE 5 -10.566 1.542 -0.138 30 HB ILE 5 HB ILE 5 -10.805 0.751 2.785 31 HG12 ILE 5 2HG1 ILE 5 -11.638 3.237 2.902 32 HG13 ILE 5 1HG1 ILE 5 -11.989 3.021 1.192 33 HG21 ILE 5 1HG2 ILE 5 -9.398 2.744 3.212 34 HG22 ILE 5 2HG2 ILE 5 -9.181 2.936 1.472 35 HG23 ILE 5 3HG2 ILE 5 -8.559 1.500 2.285 36 HD11 ILE 5 3HD1 ILE 5 -13.949 2.640 2.564 37 HD12 ILE 5 1HD1 ILE 5 -13.104 1.367 3.444 38 HD13 ILE 5 2HD1 ILE 5 -13.468 1.163 1.731 39 H VAL 6 H VAL 6 -10.429 -1.466 1.767 40 HA VAL 6 HA VAL 6 -7.631 -1.807 1.637 41 HB VAL 6 HB VAL 6 -9.730 -3.971 1.921 42 HG11 VAL 6 1HG1 VAL 6 -7.520 -4.867 1.406 43 HG12 VAL 6 2HG1 VAL 6 -7.969 -5.238 3.069 44 HG13 VAL 6 3HG1 VAL 6 -6.819 -3.943 2.739 45 HG21 VAL 6 3HG2 VAL 6 -10.074 -2.244 3.594 46 HG22 VAL 6 1HG2 VAL 6 -8.368 -2.308 4.047 47 HG23 VAL 6 2HG2 VAL 6 -9.416 -3.693 4.351 48 H THR 7 H THR 7 -10.240 -3.217 -0.366 49 HA THR 7 HA THR 7 -8.766 -4.714 -2.170 50 HB THR 7 HB THR 7 -11.197 -3.018 -2.821 51 HG1 THR 7 HG1 THR 7 -12.037 -5.408 -2.605 52 HG21 THR 7 3HG2 THR 7 -10.056 -5.424 -4.256 53 HG22 THR 7 1HG2 THR 7 -10.064 -3.762 -4.851 54 HG23 THR 7 2HG2 THR 7 -11.585 -4.631 -4.640 55 H LYS 8 H LYS 8 -9.544 -1.245 -2.363 56 HA LYS 8 HA LYS 8 -8.317 -0.622 -4.772 57 HB2 LYS 8 2HB LYS 8 -9.727 0.975 -3.626 58 HB3 LYS 8 1HB LYS 8 -8.621 1.042 -2.263 59 HG2 LYS 8 2HG LYS 8 -8.448 3.025 -3.681 60 HG3 LYS 8 1HG LYS 8 -6.936 2.118 -3.640 61 HD2 LYS 8 2HD LYS 8 -7.414 2.866 -5.907 62 HD3 LYS 8 1HD LYS 8 -7.497 1.106 -5.818 63 HE2 LYS 8 2HE LYS 8 -9.961 1.266 -5.647 64 HE3 LYS 8 1HE LYS 8 -9.839 3.017 -5.825 65 HZ1 LYS 8 3HZ LYS 8 -8.949 1.009 -7.821 66 HZ2 LYS 8 1HZ LYS 8 -8.842 2.687 -7.998 67 HZ3 LYS 8 2HZ LYS 8 -10.356 1.938 -7.922 68 H ILE 9 H ILE 9 -6.881 -0.377 -1.506 69 HA ILE 9 HA ILE 9 -4.319 0.395 -2.355 70 HB ILE 9 HB ILE 9 -5.129 -1.074 0.162 71 HG12 ILE 9 2HG1 ILE 9 -4.695 1.877 -0.409 72 HG13 ILE 9 1HG1 ILE 9 -6.248 1.096 -0.132 73 HG21 ILE 9 1HG2 ILE 9 -3.017 -0.261 1.115 74 HG22 ILE 9 2HG2 ILE 9 -2.567 0.408 -0.455 75 HG23 ILE 9 3HG2 ILE 9 -2.738 -1.336 -0.257 76 HD11 ILE 9 3HD1 ILE 9 -4.017 1.346 1.875 77 HD12 ILE 9 1HD1 ILE 9 -5.578 0.575 2.155 78 HD13 ILE 9 2HD1 ILE 9 -5.495 2.306 1.830 79 H ILE 10 H ILE 10 -5.572 -2.880 -1.629 80 HA ILE 10 HA ILE 10 -3.186 -4.295 -2.002 81 HB ILE 10 HB ILE 10 -6.021 -5.204 -2.518 82 HG12 ILE 10 2HG1 ILE 10 -4.194 -5.571 -0.128 83 HG13 ILE 10 1HG1 ILE 10 -5.596 -4.510 -0.201 84 HG21 ILE 10 1HG2 ILE 10 -5.169 -7.496 -2.369 85 HG22 ILE 10 2HG2 ILE 10 -3.523 -6.882 -2.246 86 HG23 ILE 10 3HG2 ILE 10 -4.447 -6.633 -3.727 87 HD11 ILE 10 3HD1 ILE 10 -5.645 -7.518 -0.388 88 HD12 ILE 10 1HD1 ILE 10 -7.051 -6.454 -0.469 89 HD13 ILE 10 2HD1 ILE 10 -6.098 -6.545 1.011 90 H SER 11 H SER 11 -5.775 -3.663 -4.401 91 HA SER 11 HA SER 11 -4.611 -4.937 -6.592 92 HG SER 11 HG SER 11 -6.731 -2.168 -5.581 93 HB2 SER 11 2HB SER 11 -6.018 -3.458 -8.005 94 HB3 SER 11 1HB SER 11 -6.917 -4.132 -6.647 95 H ILE 12 H ILE 12 -4.184 -1.568 -5.516 96 HA ILE 12 HA ILE 12 -2.490 -0.708 -7.593 97 HB ILE 12 HB ILE 12 -2.563 0.210 -4.710 98 HG12 ILE 12 2HG1 ILE 12 -3.890 1.441 -7.139 99 HG13 ILE 12 1HG1 ILE 12 -4.714 0.367 -6.011 100 HG21 ILE 12 1HG2 ILE 12 -0.486 0.916 -5.734 101 HG22 ILE 12 2HG2 ILE 12 -1.555 2.307 -5.569 102 HG23 ILE 12 3HG2 ILE 12 -1.352 1.538 -7.142 103 HD11 ILE 12 3HD1 ILE 12 -5.202 2.699 -5.545 104 HD12 ILE 12 1HD1 ILE 12 -3.484 3.029 -5.329 105 HD13 ILE 12 2HD1 ILE 12 -4.324 1.956 -4.208 106 H VAL 13 H VAL 13 -1.588 -1.829 -4.310 107 HA VAL 13 HA VAL 13 1.181 -1.794 -4.613 108 HB VAL 13 HB VAL 13 -0.461 -3.717 -2.940 109 HG11 VAL 13 1HG1 VAL 13 1.829 -4.517 -3.181 110 HG12 VAL 13 2HG1 VAL 13 1.556 -3.923 -1.542 111 HG13 VAL 13 3HG1 VAL 13 2.451 -2.938 -2.699 112 HG21 VAL 13 3HG2 VAL 13 -0.945 -1.355 -2.460 113 HG22 VAL 13 1HG2 VAL 13 0.772 -1.059 -2.193 114 HG23 VAL 13 2HG2 VAL 13 -0.118 -2.134 -1.113 115 H GLN 14 H GLN 14 -1.118 -4.380 -5.372 116 HA GLN 14 HA GLN 14 0.775 -6.346 -6.116 117 HB2 GLN 14 2HB GLN 14 -1.628 -6.778 -5.580 118 HB3 GLN 14 1HB GLN 14 -2.071 -6.031 -7.109 119 HG2 GLN 14 2HG GLN 14 -0.754 -7.773 -8.286 120 HG3 GLN 14 1HG GLN 14 -0.452 -8.546 -6.729 121 HE21 GLN 14 1HE2 GLN 14 -1.525 -10.434 -7.256 122 HE22 GLN 14 2HE2 GLN 14 -3.240 -10.512 -7.449 123 H GLU 15 H GLU 15 -1.202 -4.157 -8.137 124 HA GLU 15 HA GLU 15 -0.266 -4.823 -10.652 125 HB2 GLU 15 2HB GLU 15 -2.138 -3.287 -10.250 126 HB3 GLU 15 1HB GLU 15 -1.030 -2.080 -9.613 127 HG2 GLU 15 2HG GLU 15 0.068 -1.999 -11.850 128 HG3 GLU 15 1HG GLU 15 -1.187 -3.081 -12.451 129 H ARG 16 H ARG 16 1.035 -2.342 -8.462 130 HA ARG 16 HA ARG 16 3.141 -1.408 -10.005 131 HE ARG 16 HE ARG 16 4.964 0.568 -8.739 132 HB2 ARG 16 2HB ARG 16 2.845 -1.684 -7.015 133 HB3 ARG 16 1HB ARG 16 4.227 -0.888 -7.755 134 HG2 ARG 16 2HG ARG 16 1.361 -0.052 -8.188 135 HG3 ARG 16 1HG ARG 16 2.438 0.661 -6.985 136 HD2 ARG 16 2HD ARG 16 2.800 0.678 -9.986 137 HD3 ARG 16 1HD ARG 16 2.423 2.059 -8.954 138 HH11 ARG 16 1HH1 ARG 16 3.265 3.544 -9.055 139 HH12 ARG 16 2HH1 ARG 16 4.676 4.503 -8.776 140 HH21 ARG 16 1HH2 ARG 16 6.747 1.777 -8.394 141 HH22 ARG 16 2HH2 ARG 16 6.645 3.508 -8.416 142 H GLN 17 H GLN 17 3.239 -4.094 -7.629 143 HA GLN 17 HA GLN 17 5.987 -4.662 -8.047 144 HB2 GLN 17 2HB GLN 17 3.795 -6.400 -6.904 145 HB3 GLN 17 1HB GLN 17 5.510 -6.791 -6.843 146 HG2 GLN 17 2HG GLN 17 5.921 -4.744 -5.547 147 HG3 GLN 17 1HG GLN 17 4.196 -4.382 -5.590 148 HE21 GLN 17 1HE2 GLN 17 3.952 -4.461 -3.369 149 HE22 GLN 17 2HE2 GLN 17 4.017 -5.938 -2.483 150 H ASN 18 H ASN 18 3.204 -5.502 -9.922 151 HA ASN 18 HA ASN 18 4.542 -7.604 -11.385 152 HB2 ASN 18 2HB ASN 18 1.996 -6.062 -11.863 153 HB3 ASN 18 1HB ASN 18 2.652 -7.137 -13.092 154 HD21 ASN 18 1HD2 ASN 18 1.098 -6.927 -10.019 155 HD22 ASN 18 2HD2 ASN 18 0.760 -8.612 -9.848 156 H MET 19 H MET 19 4.266 -4.122 -11.627 157 HA MET 19 HA MET 19 5.704 -4.074 -14.175 158 HB2 MET 19 2HB MET 19 4.605 -1.855 -12.437 159 HB3 MET 19 1HB MET 19 5.468 -1.586 -13.949 160 HG2 MET 19 2HG MET 19 2.872 -3.079 -13.617 161 HG3 MET 19 1HG MET 19 3.080 -1.468 -14.308 162 HE1 MET 19 3HE MET 19 2.138 -3.518 -17.481 163 HE2 MET 19 1HE MET 19 1.808 -2.076 -16.522 164 HE3 MET 19 2HE MET 19 1.471 -3.674 -15.856 165 H ASP 20 H ASP 20 6.239 -2.114 -11.228 166 HA ASP 20 HA ASP 20 9.109 -2.320 -11.656 167 HB2 ASP 20 2HB ASP 20 9.122 -0.755 -9.569 168 HB3 ASP 20 1HB ASP 20 8.612 -0.128 -11.127 169 H ASP 21 H ASP 21 9.211 -4.567 -11.244 170 HA ASP 21 HA ASP 21 8.738 -5.579 -8.564 171 HB2 ASP 21 2HB ASP 21 8.250 -6.925 -10.591 172 HB3 ASP 21 1HB ASP 21 9.960 -6.904 -11.000 173 H GLY 22 H GLY 22 11.397 -4.438 -10.497 174 HA2 GLY 22 2HA GLY 22 13.485 -5.601 -8.889 175 HA3 GLY 22 1HA GLY 22 13.689 -4.404 -10.156 176 H ALA 23 H ALA 23 11.420 -3.068 -8.230 177 HA ALA 23 HA ALA 23 13.175 -2.113 -6.108 178 HB1 ALA 23 3HB ALA 23 13.689 -0.635 -8.006 179 HB2 ALA 23 1HB ALA 23 12.921 0.237 -6.678 180 HB3 ALA 23 2HB ALA 23 11.986 -0.190 -8.111 181 HA PRO 24 HA PRO 24 9.199 -2.642 -4.054 182 HB2 PRO 24 2HB PRO 24 9.954 -1.195 -1.772 183 HB3 PRO 24 1HB PRO 24 10.170 -2.930 -2.019 184 HG2 PRO 24 2HG PRO 24 12.128 -0.701 -2.407 185 HG3 PRO 24 1HG PRO 24 12.394 -2.331 -1.758 186 HD2 PRO 24 2HD PRO 24 13.142 -1.705 -4.246 187 HD3 PRO 24 1HD PRO 24 12.444 -3.300 -3.885 188 H VAL 25 H VAL 25 7.394 -1.370 -3.399 189 HA VAL 25 HA VAL 25 7.180 1.024 -5.000 190 HB VAL 25 HB VAL 25 5.054 -0.212 -3.238 191 HG11 VAL 25 1HG1 VAL 25 3.491 0.837 -4.818 192 HG12 VAL 25 2HG1 VAL 25 4.852 1.536 -5.696 193 HG13 VAL 25 3HG1 VAL 25 4.527 2.034 -4.036 194 HG21 VAL 25 3HG2 VAL 25 5.970 -1.922 -4.730 195 HG22 VAL 25 1HG2 VAL 25 5.708 -0.864 -6.116 196 HG23 VAL 25 2HG2 VAL 25 4.329 -1.481 -5.204 197 H LYS 26 H LYS 26 6.497 3.100 -4.277 198 HA LYS 26 HA LYS 26 7.314 3.739 -1.533 199 HB2 LYS 26 2HB LYS 26 6.714 5.601 -3.848 200 HB3 LYS 26 1HB LYS 26 7.352 6.084 -2.285 201 HG2 LYS 26 2HG LYS 26 9.192 6.086 -3.742 202 HG3 LYS 26 1HG LYS 26 9.353 4.604 -2.801 203 HD2 LYS 26 2HD LYS 26 8.431 3.301 -4.646 204 HD3 LYS 26 1HD LYS 26 8.169 4.773 -5.582 205 HE2 LYS 26 2HE LYS 26 10.585 5.174 -5.626 206 HE3 LYS 26 1HE LYS 26 10.851 3.721 -4.665 207 HZ1 LYS 26 3HZ LYS 26 9.968 2.389 -6.453 208 HZ2 LYS 26 1HZ LYS 26 11.223 3.359 -7.043 209 HZ3 LYS 26 2HZ LYS 26 9.615 3.767 -7.365 210 H THR 27 H THR 27 6.023 4.992 -0.125 211 HA THR 27 HA THR 27 3.301 4.445 0.024 212 HB THR 27 HB THR 27 4.588 6.920 1.213 213 HG1 THR 27 HG1 THR 27 5.639 5.653 2.545 214 HG21 THR 27 3HG2 THR 27 2.258 5.207 2.112 215 HG22 THR 27 1HG2 THR 27 2.156 6.838 1.444 216 HG23 THR 27 2HG2 THR 27 2.927 6.571 3.008 217 H ARG 28 H ARG 28 4.925 7.166 -1.520 218 HA ARG 28 HA ARG 28 2.781 8.931 -1.841 219 HE ARG 28 HE ARG 28 6.362 9.753 -4.897 220 HB2 ARG 28 2HB ARG 28 4.935 8.545 -3.918 221 HB3 ARG 28 1HB ARG 28 4.066 10.018 -3.522 222 HG2 ARG 28 2HG ARG 28 5.218 10.146 -1.379 223 HG3 ARG 28 1HG ARG 28 6.056 8.632 -1.731 224 HD2 ARG 28 2HD ARG 28 6.372 11.308 -3.069 225 HD3 ARG 28 1HD ARG 28 7.603 10.316 -2.283 226 HH11 ARG 28 1HH1 ARG 28 8.962 9.330 -2.667 227 HH12 ARG 28 2HH1 ARG 28 9.916 8.432 -3.795 228 HH21 ARG 28 1HH2 ARG 28 7.596 8.597 -6.315 229 HH22 ARG 28 2HH2 ARG 28 9.162 8.039 -5.832 230 H ASP 29 H ASP 29 4.045 6.621 -4.229 231 HA ASP 29 HA ASP 29 2.220 7.035 -6.261 232 HB2 ASP 29 2HB ASP 29 3.606 4.440 -5.530 233 HB3 ASP 29 1HB ASP 29 2.941 4.844 -7.110 234 H ILE 30 H ILE 30 1.998 4.690 -3.586 235 HA ILE 30 HA ILE 30 -0.423 3.478 -4.390 236 HB ILE 30 HB ILE 30 0.603 3.797 -1.555 237 HG12 ILE 30 2HG1 ILE 30 1.134 1.570 -3.552 238 HG13 ILE 30 1HG1 ILE 30 2.302 2.794 -3.069 239 HG21 ILE 30 1HG2 ILE 30 -1.722 3.068 -1.658 240 HG22 ILE 30 2HG2 ILE 30 -0.688 1.752 -1.106 241 HG23 ILE 30 3HG2 ILE 30 -1.284 1.765 -2.766 242 HD11 ILE 30 3HD1 ILE 30 1.081 0.702 -1.283 243 HD12 ILE 30 1HD1 ILE 30 2.223 1.945 -0.772 244 HD13 ILE 30 2HD1 ILE 30 2.721 0.710 -1.930 245 H ALA 31 H ALA 31 0.209 6.184 -2.157 246 HA ALA 31 HA ALA 31 -2.466 6.678 -1.419 247 HB1 ALA 31 3HB ALA 31 -1.670 8.851 -0.637 248 HB2 ALA 31 1HB ALA 31 -0.162 8.629 -1.527 249 HB3 ALA 31 2HB ALA 31 -0.555 7.567 -0.174 250 H ASP 32 H ASP 32 -0.484 8.047 -4.016 251 HA ASP 32 HA ASP 32 -2.328 9.939 -4.974 252 HB2 ASP 32 2HB ASP 32 0.072 9.928 -5.555 253 HB3 ASP 32 1HB ASP 32 -0.164 8.457 -6.493 254 H ALA 33 H ALA 33 -1.708 6.580 -6.013 255 HA ALA 33 HA ALA 33 -3.683 6.539 -8.054 256 HB1 ALA 33 3HB ALA 33 -2.465 4.221 -6.551 257 HB2 ALA 33 1HB ALA 33 -1.804 4.972 -8.004 258 HB3 ALA 33 2HB ALA 33 -3.347 4.121 -8.076 259 H ALA 34 H ALA 34 -3.821 5.912 -4.603 260 HA ALA 34 HA ALA 34 -6.528 4.844 -4.735 261 HB1 ALA 34 3HB ALA 34 -4.941 3.931 -3.110 262 HB2 ALA 34 1HB ALA 34 -6.348 4.628 -2.311 263 HB3 ALA 34 2HB ALA 34 -4.819 5.511 -2.334 264 H GLY 35 H GLY 35 -5.094 7.925 -4.541 265 HA2 GLY 35 2HA GLY 35 -5.998 10.033 -4.319 266 HA3 GLY 35 1HA GLY 35 -7.590 9.289 -4.287 267 H LEU 36 H LEU 36 -5.077 8.422 -2.009 268 HA LEU 36 HA LEU 36 -6.662 9.683 0.149 269 HG LEU 36 HG LEU 36 -7.198 6.736 -0.946 270 HB2 LEU 36 2HB LEU 36 -5.089 7.101 0.261 271 HB3 LEU 36 1HB LEU 36 -5.967 7.816 1.599 272 HD11 LEU 36 1HD1 LEU 36 -8.115 4.986 0.490 273 HD12 LEU 36 2HD1 LEU 36 -7.244 5.651 1.872 274 HD13 LEU 36 3HD1 LEU 36 -6.353 4.974 0.509 275 HD21 LEU 36 3HD2 LEU 36 -8.452 8.643 -0.043 276 HD22 LEU 36 1HD2 LEU 36 -8.545 7.839 1.525 277 HD23 LEU 36 2HD2 LEU 36 -9.349 7.135 0.119 278 H SER 37 H SER 37 -5.282 9.760 2.258 279 HA SER 37 HA SER 37 -2.991 11.428 1.705 280 HG SER 37 HG SER 37 -2.547 12.650 4.400 281 HB2 SER 37 2HB SER 37 -4.387 12.164 3.492 282 HB3 SER 37 1HB SER 37 -4.354 10.581 4.266 283 H ILE 38 H ILE 38 -0.866 11.113 2.335 284 HA ILE 38 HA ILE 38 0.349 8.628 2.218 285 HB ILE 38 HB ILE 38 1.297 11.082 3.726 286 HG12 ILE 38 2HG1 ILE 38 0.869 11.479 1.325 287 HG13 ILE 38 1HG1 ILE 38 2.581 11.603 1.713 288 HG21 ILE 38 1HG2 ILE 38 2.526 9.146 4.494 289 HG22 ILE 38 2HG2 ILE 38 3.568 10.141 3.473 290 HG23 ILE 38 3HG2 ILE 38 2.859 8.659 2.831 291 HD11 ILE 38 3HD1 ILE 38 2.279 10.451 -0.382 292 HD12 ILE 38 1HD1 ILE 38 1.214 9.270 0.382 293 HD13 ILE 38 2HD1 ILE 38 2.922 9.333 0.820 294 H TYR 39 H TYR 39 -0.862 10.363 5.049 295 HA TYR 39 HA TYR 39 0.157 8.630 7.038 296 HD1 TYR 39 HD2 TYR 39 0.371 9.467 9.563 297 HD2 TYR 39 HD1 TYR 39 -3.775 9.823 8.657 298 HE1 TYR 39 HE2 TYR 39 -0.187 8.782 11.857 299 HE2 TYR 39 HE1 TYR 39 -4.339 9.141 10.949 300 HH TYR 39 HH TYR 39 -2.105 9.056 13.450 301 HB2 TYR 39 2HB TYR 39 -0.561 10.881 7.588 302 HB3 TYR 39 1HB TYR 39 -2.207 10.525 7.075 303 H GLN 40 H GLN 40 -3.160 8.861 5.707 304 HA GLN 40 HA GLN 40 -4.272 6.734 7.141 305 HB2 GLN 40 2HB GLN 40 -5.604 8.413 5.930 306 HB3 GLN 40 1HB GLN 40 -5.044 7.757 4.398 307 HG2 GLN 40 2HG GLN 40 -7.234 6.922 4.767 308 HG3 GLN 40 1HG GLN 40 -6.115 5.584 5.021 309 HE21 GLN 40 1HE2 GLN 40 -8.393 7.721 6.481 310 HE22 GLN 40 2HE2 GLN 40 -8.473 6.926 8.014 311 H VAL 41 H VAL 41 -2.965 6.738 3.822 312 HA VAL 41 HA VAL 41 -3.391 4.056 3.201 313 HB VAL 41 HB VAL 41 -1.171 5.900 2.279 314 HG11 VAL 41 1HG1 VAL 41 -0.887 4.365 0.380 315 HG12 VAL 41 2HG1 VAL 41 -2.058 3.259 1.099 316 HG13 VAL 41 3HG1 VAL 41 -0.525 3.568 1.913 317 HG21 VAL 41 3HG2 VAL 41 -3.806 5.139 1.005 318 HG22 VAL 41 1HG2 VAL 41 -2.580 6.189 0.294 319 HG23 VAL 41 2HG2 VAL 41 -3.426 6.690 1.756 320 H ARG 42 H ARG 42 -0.500 5.554 4.677 321 HA ARG 42 HA ARG 42 1.063 3.254 4.885 322 HE ARG 42 HE ARG 42 2.761 7.219 7.788 323 HB2 ARG 42 2HB ARG 42 1.956 5.496 5.274 324 HB3 ARG 42 1HB ARG 42 0.992 5.643 6.740 325 HG2 ARG 42 2HG ARG 42 2.244 3.839 7.775 326 HG3 ARG 42 1HG ARG 42 3.171 3.601 6.294 327 HD2 ARG 42 2HD ARG 42 4.449 4.872 7.937 328 HD3 ARG 42 1HD ARG 42 4.105 5.844 6.509 329 HH11 ARG 42 1HH1 ARG 42 3.563 4.418 9.627 330 HH12 ARG 42 2HH1 ARG 42 3.205 5.176 11.137 331 HH21 ARG 42 1HH2 ARG 42 2.264 8.170 9.722 332 HH22 ARG 42 2HH2 ARG 42 2.459 7.278 11.190 333 H LEU 43 H LEU 43 -1.440 4.487 7.077 334 HA LEU 43 HA LEU 43 -1.063 2.717 9.213 335 HG LEU 43 HG LEU 43 -2.108 5.674 8.895 336 HB2 LEU 43 2HB LEU 43 -3.648 3.904 8.185 337 HB3 LEU 43 1HB LEU 43 -3.466 3.103 9.733 338 HD11 LEU 43 1HD1 LEU 43 -4.480 5.980 9.314 339 HD12 LEU 43 2HD1 LEU 43 -3.534 6.699 10.616 340 HD13 LEU 43 3HD1 LEU 43 -4.340 5.149 10.864 341 HD21 LEU 43 3HD2 LEU 43 -1.303 5.791 11.200 342 HD22 LEU 43 1HD2 LEU 43 -0.688 4.349 10.392 343 HD23 LEU 43 2HD2 LEU 43 -2.018 4.215 11.543 344 H TYR 44 H TYR 44 -3.110 2.353 6.312 345 HA TYR 44 HA TYR 44 -4.050 -0.247 6.964 346 HD1 TYR 44 HD2 TYR 44 -6.498 -0.655 6.161 347 HD2 TYR 44 HD1 TYR 44 -5.200 3.085 4.589 348 HE1 TYR 44 HE2 TYR 44 -8.682 0.328 6.711 349 HE2 TYR 44 HE1 TYR 44 -7.383 4.073 5.135 350 HH TYR 44 HH TYR 44 -9.641 2.570 7.158 351 HB2 TYR 44 2HB TYR 44 -3.831 1.204 4.323 352 HB3 TYR 44 1HB TYR 44 -4.533 -0.402 4.471 353 H LEU 45 H LEU 45 -1.273 0.853 5.043 354 HA LEU 45 HA LEU 45 -0.526 -1.648 3.985 355 HG LEU 45 HG LEU 45 -0.649 1.127 2.836 356 HB2 LEU 45 2HB LEU 45 1.127 0.810 4.579 357 HB3 LEU 45 1HB LEU 45 1.717 -0.567 3.667 358 HD11 LEU 45 1HD1 LEU 45 2.198 1.196 1.835 359 HD12 LEU 45 2HD1 LEU 45 1.408 2.443 2.799 360 HD13 LEU 45 3HD1 LEU 45 0.839 2.102 1.166 361 HD21 LEU 45 3HD2 LEU 45 -0.708 -1.160 1.978 362 HD22 LEU 45 1HD2 LEU 45 0.928 -0.974 1.347 363 HD23 LEU 45 2HD2 LEU 45 -0.388 -0.003 0.685 364 H GLU 46 H GLU 46 0.648 0.058 6.890 365 HA GLU 46 HA GLU 46 2.463 -1.970 7.676 366 HB2 GLU 46 2HB GLU 46 1.159 0.240 9.276 367 HB3 GLU 46 1HB GLU 46 2.443 -0.795 9.895 368 HG2 GLU 46 2HG GLU 46 3.813 -0.005 7.881 369 HG3 GLU 46 1HG GLU 46 2.580 1.240 7.684 370 H GLN 47 H GLN 47 -0.922 -1.336 8.625 371 HA GLN 47 HA GLN 47 -1.135 -3.410 10.520 372 HB2 GLN 47 2HB GLN 47 -3.205 -2.092 8.764 373 HB3 GLN 47 1HB GLN 47 -3.622 -3.326 9.947 374 HG2 GLN 47 2HG GLN 47 -2.711 -1.920 11.733 375 HG3 GLN 47 1HG GLN 47 -2.296 -0.681 10.548 376 HE21 GLN 47 1HE2 GLN 47 -3.949 0.504 9.585 377 HE22 GLN 47 2HE2 GLN 47 -5.542 0.570 10.253 378 H LEU 48 H LEU 48 -1.684 -3.437 6.995 379 HA LEU 48 HA LEU 48 -2.521 -6.109 6.771 380 HG LEU 48 HG LEU 48 -3.379 -3.658 5.259 381 HB2 LEU 48 2HB LEU 48 -1.036 -4.341 4.827 382 HB3 LEU 48 1HB LEU 48 -1.595 -5.952 4.414 383 HD11 LEU 48 1HD1 LEU 48 -4.136 -3.646 2.934 384 HD12 LEU 48 2HD1 LEU 48 -2.932 -4.873 2.532 385 HD13 LEU 48 3HD1 LEU 48 -2.418 -3.269 3.061 386 HD21 LEU 48 3HD2 LEU 48 -5.227 -5.116 4.612 387 HD22 LEU 48 1HD2 LEU 48 -4.277 -5.841 5.907 388 HD23 LEU 48 2HD2 LEU 48 -4.091 -6.417 4.250 389 H HIS 49 H HIS 49 0.739 -4.733 6.982 390 HA HIS 49 HA HIS 49 2.133 -7.174 6.611 391 HD1 HIS 49 HD1 HIS 49 4.711 -7.772 6.927 392 HD2 HIS 49 HD2 HIS 49 4.781 -4.860 9.897 393 HE1 HIS 49 HE1 HIS 49 6.632 -8.379 8.427 394 HE2 HIS 49 HE2 HIS 49 6.544 -6.703 10.300 395 HB2 HIS 49 2HB HIS 49 3.439 -5.195 6.488 396 HB3 HIS 49 1HB HIS 49 2.849 -4.615 8.042 397 H ASP 50 H ASP 50 0.999 -5.533 9.568 398 HA ASP 50 HA ASP 50 2.060 -7.356 11.416 399 HB2 ASP 50 2HB ASP 50 1.221 -5.055 11.926 400 HB3 ASP 50 1HB ASP 50 -0.427 -5.657 11.755 401 H VAL 51 H VAL 51 -0.954 -7.460 9.592 402 HA VAL 51 HA VAL 51 -1.923 -9.761 11.110 403 HB VAL 51 HB VAL 51 -3.940 -9.641 9.747 404 HG11 VAL 51 1HG1 VAL 51 -3.073 -6.942 10.789 405 HG12 VAL 51 2HG1 VAL 51 -3.811 -8.239 11.730 406 HG13 VAL 51 3HG1 VAL 51 -4.737 -7.431 10.465 407 HG21 VAL 51 3HG2 VAL 51 -2.943 -8.972 7.620 408 HG22 VAL 51 1HG2 VAL 51 -2.573 -7.379 8.281 409 HG23 VAL 51 2HG2 VAL 51 -4.253 -7.878 8.072 410 H GLY 52 H GLY 52 0.295 -9.496 8.712 411 HA2 GLY 52 2HA GLY 52 1.361 -11.290 7.663 412 HA3 GLY 52 1HA GLY 52 -0.016 -12.308 8.032 413 H VAL 53 H VAL 53 0.326 -9.293 6.134 414 HA VAL 53 HA VAL 53 -0.567 -10.778 3.741 415 HB VAL 53 HB VAL 53 -1.428 -7.961 4.464 416 HG11 VAL 53 1HG1 VAL 53 -2.175 -9.701 2.105 417 HG12 VAL 53 2HG1 VAL 53 -1.190 -8.239 2.061 418 HG13 VAL 53 3HG1 VAL 53 -2.897 -8.137 2.490 419 HG21 VAL 53 3HG2 VAL 53 -3.684 -8.895 4.708 420 HG22 VAL 53 1HG2 VAL 53 -2.560 -9.620 5.859 421 HG23 VAL 53 2HG2 VAL 53 -3.049 -10.516 4.421 422 H LEU 54 H LEU 54 0.771 -7.593 4.711 423 HA LEU 54 HA LEU 54 2.488 -7.634 2.313 424 HG LEU 54 HG LEU 54 -0.181 -5.950 2.676 425 HB2 LEU 54 2HB LEU 54 1.719 -5.314 4.096 426 HB3 LEU 54 1HB LEU 54 2.751 -5.205 2.684 427 HD11 LEU 54 1HD1 LEU 54 1.230 -3.469 1.697 428 HD12 LEU 54 2HD1 LEU 54 0.212 -3.588 3.132 429 HD13 LEU 54 3HD1 LEU 54 -0.493 -3.819 1.533 430 HD21 LEU 54 3HD2 LEU 54 1.002 -7.135 0.918 431 HD22 LEU 54 1HD2 LEU 54 1.762 -5.633 0.386 432 HD23 LEU 54 2HD2 LEU 54 0.017 -5.846 0.226 433 H GLU 55 H GLU 55 4.580 -6.178 2.768 434 HA GLU 55 HA GLU 55 5.822 -6.980 5.305 435 HB2 GLU 55 2HB GLU 55 6.379 -8.726 3.651 436 HB3 GLU 55 1HB GLU 55 7.046 -7.503 2.581 437 HG2 GLU 55 2HG GLU 55 8.793 -8.724 3.779 438 HG3 GLU 55 1HG GLU 55 8.801 -7.008 4.176 439 H LYS 56 H LYS 56 7.531 -5.677 6.003 440 HA LYS 56 HA LYS 56 7.372 -2.943 5.002 441 HB2 LYS 56 2HB LYS 56 8.468 -4.176 7.528 442 HB3 LYS 56 1HB LYS 56 8.739 -2.486 7.134 443 HG2 LYS 56 2HG LYS 56 6.020 -3.755 7.426 444 HG3 LYS 56 1HG LYS 56 6.857 -2.859 8.693 445 HD2 LYS 56 2HD LYS 56 6.057 -1.750 5.996 446 HD3 LYS 56 1HD LYS 56 5.191 -1.477 7.506 447 HE2 LYS 56 2HE LYS 56 8.056 -0.664 6.991 448 HE3 LYS 56 1HE LYS 56 6.667 0.410 6.853 449 HZ1 LYS 56 3HZ LYS 56 7.540 -0.970 9.333 450 HZ2 LYS 56 1HZ LYS 56 6.212 0.069 9.200 451 HZ3 LYS 56 2HZ LYS 56 7.778 0.663 8.977 452 H VAL 57 H VAL 57 8.871 -2.039 3.751 453 HA VAL 57 HA VAL 57 11.701 -2.758 4.219 454 HB VAL 57 HB VAL 57 10.561 -1.522 1.692 455 HG11 VAL 57 1HG1 VAL 57 12.880 -0.870 2.178 456 HG12 VAL 57 2HG1 VAL 57 12.783 -1.903 0.753 457 HG13 VAL 57 3HG1 VAL 57 13.335 -2.571 2.289 458 HG21 VAL 57 3HG2 VAL 57 11.035 -3.682 0.612 459 HG22 VAL 57 1HG2 VAL 57 9.828 -3.841 1.888 460 HG23 VAL 57 2HG2 VAL 57 11.489 -4.361 2.176 461 H ASN 58 H ASN 58 12.753 -1.213 5.300 462 HA ASN 58 HA ASN 58 13.315 0.767 6.261 463 HB2 ASN 58 2HB ASN 58 11.445 1.953 4.202 464 HB3 ASN 58 1HB ASN 58 12.249 2.928 5.428 465 HD21 ASN 58 1HD2 ASN 58 13.411 4.083 3.927 466 HD22 ASN 58 2HD2 ASN 58 14.727 3.406 3.046 467 H ALA 59 H ALA 59 12.699 1.561 8.181 468 HA ALA 59 HA ALA 59 10.394 0.449 9.386 469 HB1 ALA 59 3HB ALA 59 12.493 0.790 10.568 470 HB2 ALA 59 1HB ALA 59 11.156 1.582 11.404 471 HB3 ALA 59 2HB ALA 59 12.289 2.537 10.438 472 H GLY 60 H GLY 60 11.191 3.909 9.701 473 HA2 GLY 60 2HA GLY 60 8.889 5.014 8.570 474 HA3 GLY 60 1HA GLY 60 8.488 4.613 10.233 475 H LYS 61 H LYS 61 11.472 5.238 10.869 476 HA LYS 61 HA LYS 61 11.030 7.974 11.604 477 HB2 LYS 61 2HB LYS 61 12.310 6.512 13.071 478 HB3 LYS 61 1HB LYS 61 13.500 6.232 11.805 479 HG2 LYS 61 2HG LYS 61 14.094 8.631 11.876 480 HG3 LYS 61 1HG LYS 61 12.958 8.847 13.209 481 HD2 LYS 61 2HD LYS 61 14.246 7.283 14.578 482 HD3 LYS 61 1HD LYS 61 15.360 7.010 13.236 483 HE2 LYS 61 2HE LYS 61 16.033 9.360 13.306 484 HE3 LYS 61 1HE LYS 61 14.894 9.658 14.619 485 HZ1 LYS 61 3HZ LYS 61 17.148 9.358 15.428 486 HZ2 LYS 61 1HZ LYS 61 17.216 7.814 14.742 487 HZ3 LYS 61 2HZ LYS 61 16.136 8.129 16.001 488 H GLY 62 H GLY 62 10.942 9.386 9.904 489 HA2 GLY 62 2HA GLY 62 11.866 10.876 8.383 490 HA3 GLY 62 1HA GLY 62 13.411 10.069 8.578 491 H VAL 63 H VAL 63 12.673 7.473 7.789 492 HA VAL 63 HA VAL 63 12.941 7.594 5.006 493 HB VAL 63 HB VAL 63 12.520 5.132 5.047 494 HG11 VAL 63 1HG1 VAL 63 14.454 4.559 6.428 495 HG12 VAL 63 2HG1 VAL 63 14.367 6.135 7.216 496 HG13 VAL 63 3HG1 VAL 63 14.754 6.028 5.497 497 HG21 VAL 63 3HG2 VAL 63 12.161 4.001 7.178 498 HG22 VAL 63 1HG2 VAL 63 10.807 5.058 6.777 499 HG23 VAL 63 2HG2 VAL 63 11.990 5.562 7.985 500 HA PRO 64 HA PRO 64 8.817 8.381 3.602 501 HB2 PRO 64 2HB PRO 64 9.014 7.381 1.056 502 HB3 PRO 64 1HB PRO 64 9.705 8.928 1.558 503 HG2 PRO 64 2HG PRO 64 11.048 6.256 1.289 504 HG3 PRO 64 1HG PRO 64 11.616 7.852 0.760 505 HD2 PRO 64 2HD PRO 64 12.522 6.720 3.024 506 HD3 PRO 64 1HD PRO 64 12.263 8.472 2.904 507 H GLY 65 H GLY 65 10.128 5.121 3.238 508 HA2 GLY 65 2HA GLY 65 8.934 3.227 4.096 509 HA3 GLY 65 1HA GLY 65 7.427 4.048 3.737 510 H LEU 66 H LEU 66 9.525 1.657 2.752 511 HA LEU 66 HA LEU 66 8.423 1.615 0.014 512 HG LEU 66 HG LEU 66 11.273 2.615 0.630 513 HB2 LEU 66 2HB LEU 66 10.853 0.229 1.159 514 HB3 LEU 66 1HB LEU 66 10.252 -0.014 -0.468 515 HD11 LEU 66 1HD1 LEU 66 13.052 0.948 0.373 516 HD12 LEU 66 2HD1 LEU 66 13.205 2.255 -0.800 517 HD13 LEU 66 3HD1 LEU 66 12.567 0.689 -1.304 518 HD21 LEU 66 3HD2 LEU 66 9.584 2.954 -1.087 519 HD22 LEU 66 1HD2 LEU 66 10.420 1.832 -2.161 520 HD23 LEU 66 2HD2 LEU 66 11.181 3.359 -1.714 521 H TRP 67 H TRP 67 7.266 -0.178 -0.683 522 HA TRP 67 HA TRP 67 6.450 -2.008 1.493 523 HD1 TRP 67 HD1 TRP 67 5.060 1.722 -0.366 524 HE1 TRP 67 HE1 TRP 67 4.828 3.400 1.562 525 HE3 TRP 67 HE3 TRP 67 4.378 -1.552 3.506 526 HZ2 TRP 67 HZ2 TRP 67 4.407 3.363 4.342 527 HZ3 TRP 67 HZ3 TRP 67 4.076 -0.642 5.772 528 HH2 TRP 67 HH2 TRP 67 4.091 1.766 6.178 529 HB2 TRP 67 2HB TRP 67 4.590 -0.855 -0.593 530 HB3 TRP 67 1HB TRP 67 4.157 -1.743 0.870 531 H ARG 68 H ARG 68 6.036 -4.101 1.025 532 HA ARG 68 HA ARG 68 5.747 -4.974 -1.750 533 HE ARG 68 HE ARG 68 7.669 -8.546 -0.334 534 HB2 ARG 68 2HB ARG 68 7.392 -6.819 -1.427 535 HB3 ARG 68 1HB ARG 68 8.129 -5.222 -1.447 536 HG2 ARG 68 2HG ARG 68 8.625 -5.268 0.813 537 HG3 ARG 68 1HG ARG 68 7.385 -6.471 1.164 538 HD2 ARG 68 2HD ARG 68 9.921 -7.005 -0.391 539 HD3 ARG 68 1HD ARG 68 9.684 -7.376 1.319 540 HH11 ARG 68 1HH1 ARG 68 10.891 -8.959 0.808 541 HH12 ARG 68 2HH1 ARG 68 10.850 -10.678 0.608 542 HH21 ARG 68 1HH2 ARG 68 7.619 -10.738 -0.560 543 HH22 ARG 68 2HH2 ARG 68 9.009 -11.677 -0.135 544 H LEU 69 H LEU 69 5.290 -7.466 -1.751 545 HA LEU 69 HA LEU 69 3.807 -8.206 0.691 546 HG LEU 69 HG LEU 69 3.538 -7.854 -2.986 547 HB2 LEU 69 2HB LEU 69 2.170 -9.406 -0.791 548 HB3 LEU 69 1HB LEU 69 2.117 -7.658 -0.860 549 HD11 LEU 69 1HD1 LEU 69 3.311 -9.958 -4.230 550 HD12 LEU 69 2HD1 LEU 69 2.598 -10.714 -2.804 551 HD13 LEU 69 3HD1 LEU 69 4.267 -10.150 -2.764 552 HD21 LEU 69 3HD2 LEU 69 1.573 -8.227 -4.382 553 HD22 LEU 69 1HD2 LEU 69 1.182 -7.222 -2.988 554 HD23 LEU 69 2HD2 LEU 69 0.715 -8.923 -3.006 555 H LEU 70 H LEU 70 3.221 -10.687 0.544 556 HA LEU 70 HA LEU 70 5.365 -12.237 -0.693 557 HG LEU 70 HG LEU 70 3.657 -12.903 2.642 558 HB2 LEU 70 2HB LEU 70 5.766 -13.536 1.370 559 HB3 LEU 70 1HB LEU 70 6.263 -11.863 1.506 560 HD11 LEU 70 1HD1 LEU 70 6.316 -12.550 4.032 561 HD12 LEU 70 2HD1 LEU 70 5.502 -14.083 3.706 562 HD13 LEU 70 3HD1 LEU 70 4.782 -12.921 4.821 563 HD21 LEU 70 3HD2 LEU 70 5.225 -10.379 3.199 564 HD22 LEU 70 1HD2 LEU 70 3.729 -10.869 3.996 565 HD23 LEU 70 2HD2 LEU 70 3.726 -10.484 2.276 566 H GLU 71 H GLU 71 3.630 -12.806 -2.106 567 HA GLU 71 HA GLU 71 1.704 -14.742 -0.976 568 HB2 GLU 71 2HB GLU 71 0.590 -12.801 -1.964 569 HB3 GLU 71 1HB GLU 71 1.462 -13.037 -3.472 570 HG2 GLU 71 2HG GLU 71 0.334 -15.249 -3.706 571 HG3 GLU 71 1HG GLU 71 -0.618 -14.862 -2.274 Start of MODEL 8 1 HA MET 1 HA MET 1 -15.629 -9.751 -0.410 2 H1 MET 1 1H MET 1 -18.446 -10.658 -0.561 3 H2 MET 1 2H MET 1 -17.370 -10.988 0.702 4 H3 MET 1 3H MET 1 -17.080 -11.615 -0.843 5 HB2 MET 1 2HB MET 1 -17.796 -9.096 -2.425 6 HB3 MET 1 1HB MET 1 -16.178 -8.406 -2.399 7 HG2 MET 1 2HG MET 1 -16.315 -10.126 -4.076 8 HG3 MET 1 1HG MET 1 -15.236 -10.640 -2.779 9 HE1 MET 1 3HE MET 1 -19.215 -10.613 -2.939 10 HE2 MET 1 1HE MET 1 -19.500 -12.263 -3.490 11 HE3 MET 1 2HE MET 1 -18.675 -11.113 -4.541 12 H SER 2 H SER 2 -15.568 -8.437 1.324 13 HA SER 2 HA SER 2 -17.908 -6.762 1.939 14 HG SER 2 HG SER 2 -16.862 -8.813 4.695 15 HB2 SER 2 2HB SER 2 -15.493 -7.472 3.627 16 HB3 SER 2 1HB SER 2 -16.829 -6.455 4.160 17 H GLU 3 H GLU 3 -14.369 -6.336 2.228 18 HA GLU 3 HA GLU 3 -14.719 -3.449 1.991 19 HB2 GLU 3 2HB GLU 3 -13.213 -4.828 3.674 20 HB3 GLU 3 1HB GLU 3 -12.060 -4.805 2.352 21 HG2 GLU 3 2HG GLU 3 -13.253 -2.390 3.710 22 HG3 GLU 3 1HG GLU 3 -11.627 -3.026 3.950 23 H SER 4 H SER 4 -13.947 -2.203 0.274 24 HA SER 4 HA SER 4 -12.849 -3.687 -2.042 25 HG SER 4 HG SER 4 -15.781 -3.097 -3.454 26 HB2 SER 4 2HB SER 4 -14.703 -1.292 -2.054 27 HB3 SER 4 1HB SER 4 -13.971 -1.996 -3.493 28 H ILE 5 H ILE 5 -12.573 -0.692 -0.162 29 HA ILE 5 HA ILE 5 -10.892 0.662 -2.046 30 HB ILE 5 HB ILE 5 -11.496 1.248 0.861 31 HG12 ILE 5 2HG1 ILE 5 -12.668 3.242 -0.162 32 HG13 ILE 5 1HG1 ILE 5 -12.373 2.536 -1.744 33 HG21 ILE 5 1HG2 ILE 5 -9.260 2.077 0.398 34 HG22 ILE 5 2HG2 ILE 5 -10.388 3.427 0.530 35 HG23 ILE 5 3HG2 ILE 5 -9.836 2.891 -1.058 36 HD11 ILE 5 3HD1 ILE 5 -14.012 1.296 0.456 37 HD12 ILE 5 1HD1 ILE 5 -13.740 0.615 -1.148 38 HD13 ILE 5 2HD1 ILE 5 -14.638 2.122 -0.972 39 H VAL 6 H VAL 6 -10.137 -0.681 1.197 40 HA VAL 6 HA VAL 6 -7.324 -0.402 0.932 41 HB VAL 6 HB VAL 6 -8.842 -2.354 2.690 42 HG11 VAL 6 1HG1 VAL 6 -6.480 -2.934 2.487 43 HG12 VAL 6 2HG1 VAL 6 -6.829 -2.320 4.103 44 HG13 VAL 6 3HG1 VAL 6 -6.022 -1.287 2.921 45 HG21 VAL 6 3HG2 VAL 6 -9.581 -0.062 3.090 46 HG22 VAL 6 1HG2 VAL 6 -7.907 0.459 3.286 47 HG23 VAL 6 2HG2 VAL 6 -8.627 -0.651 4.453 48 H THR 7 H THR 7 -9.566 -3.022 0.168 49 HA THR 7 HA THR 7 -7.705 -4.979 -0.614 50 HB THR 7 HB THR 7 -10.447 -4.485 -1.823 51 HG1 THR 7 HG1 THR 7 -11.100 -5.057 0.108 52 HG21 THR 7 3HG2 THR 7 -8.738 -6.983 -1.729 53 HG22 THR 7 1HG2 THR 7 -9.099 -6.024 -3.166 54 HG23 THR 7 2HG2 THR 7 -10.389 -6.896 -2.340 55 H LYS 8 H LYS 8 -9.114 -2.252 -2.398 56 HA LYS 8 HA LYS 8 -7.913 -2.764 -4.899 57 HB2 LYS 8 2HB LYS 8 -9.724 -1.138 -4.642 58 HB3 LYS 8 1HB LYS 8 -8.700 -0.124 -3.636 59 HG2 LYS 8 2HG LYS 8 -7.183 0.208 -5.555 60 HG3 LYS 8 1HG LYS 8 -8.275 -0.751 -6.556 61 HD2 LYS 8 2HD LYS 8 -10.056 0.878 -6.202 62 HD3 LYS 8 1HD LYS 8 -9.009 1.815 -5.134 63 HE2 LYS 8 2HE LYS 8 -7.457 2.182 -7.018 64 HE3 LYS 8 1HE LYS 8 -8.553 1.294 -8.075 65 HZ1 LYS 8 3HZ LYS 8 -10.234 2.962 -7.716 66 HZ2 LYS 8 1HZ LYS 8 -8.818 3.706 -8.252 67 HZ3 LYS 8 2HZ LYS 8 -9.249 3.787 -6.622 68 H ILE 9 H ILE 9 -6.806 -0.881 -2.092 69 HA ILE 9 HA ILE 9 -4.378 0.071 -3.029 70 HB ILE 9 HB ILE 9 -5.028 -0.982 -0.262 71 HG12 ILE 9 2HG1 ILE 9 -5.038 1.836 -1.395 72 HG13 ILE 9 1HG1 ILE 9 -6.460 0.882 -0.991 73 HG21 ILE 9 1HG2 ILE 9 -3.116 0.371 0.522 74 HG22 ILE 9 2HG2 ILE 9 -2.695 0.715 -1.157 75 HG23 ILE 9 3HG2 ILE 9 -2.620 -0.938 -0.550 76 HD11 ILE 9 3HD1 ILE 9 -5.812 0.907 1.362 77 HD12 ILE 9 1HD1 ILE 9 -5.999 2.539 0.715 78 HD13 ILE 9 2HD1 ILE 9 -4.386 1.865 0.957 79 H ILE 10 H ILE 10 -5.082 -3.121 -1.612 80 HA ILE 10 HA ILE 10 -2.519 -4.235 -1.773 81 HB ILE 10 HB ILE 10 -5.179 -5.649 -2.105 82 HG12 ILE 10 2HG1 ILE 10 -3.512 -5.178 0.390 83 HG13 ILE 10 1HG1 ILE 10 -5.004 -4.334 -0.009 84 HG21 ILE 10 1HG2 ILE 10 -3.992 -7.662 -1.353 85 HG22 ILE 10 2HG2 ILE 10 -2.474 -6.761 -1.334 86 HG23 ILE 10 3HG2 ILE 10 -3.317 -7.038 -2.859 87 HD11 ILE 10 3HD1 ILE 10 -6.214 -6.474 0.101 88 HD12 ILE 10 1HD1 ILE 10 -5.425 -6.053 1.621 89 HD13 ILE 10 2HD1 ILE 10 -4.714 -7.276 0.569 90 H SER 11 H SER 11 -5.147 -4.237 -4.191 91 HA SER 11 HA SER 11 -3.842 -5.664 -6.221 92 HG SER 11 HG SER 11 -7.383 -5.007 -6.464 93 HB2 SER 11 2HB SER 11 -5.864 -3.420 -6.519 94 HB3 SER 11 1HB SER 11 -5.418 -4.567 -7.782 95 H ILE 12 H ILE 12 -3.830 -2.186 -5.508 96 HA ILE 12 HA ILE 12 -2.295 -1.300 -7.682 97 HB ILE 12 HB ILE 12 -2.375 -0.191 -4.861 98 HG12 ILE 12 2HG1 ILE 12 -3.951 0.645 -7.317 99 HG13 ILE 12 1HG1 ILE 12 -4.588 -0.355 -6.014 100 HG21 ILE 12 1HG2 ILE 12 -0.433 0.639 -6.094 101 HG22 ILE 12 2HG2 ILE 12 -1.616 1.920 -5.844 102 HG23 ILE 12 3HG2 ILE 12 -1.478 1.145 -7.421 103 HD11 ILE 12 3HD1 ILE 12 -5.306 1.948 -5.799 104 HD12 ILE 12 1HD1 ILE 12 -3.628 2.484 -5.741 105 HD13 ILE 12 2HD1 ILE 12 -4.280 1.479 -4.445 106 H VAL 13 H VAL 13 -1.254 -2.374 -4.444 107 HA VAL 13 HA VAL 13 1.513 -2.048 -4.803 108 HB VAL 13 HB VAL 13 0.091 -4.107 -3.089 109 HG11 VAL 13 1HG1 VAL 13 2.928 -3.072 -2.952 110 HG12 VAL 13 2HG1 VAL 13 2.423 -4.708 -3.370 111 HG13 VAL 13 3HG1 VAL 13 2.162 -4.097 -1.738 112 HG21 VAL 13 3HG2 VAL 13 1.066 -1.328 -2.395 113 HG22 VAL 13 1HG2 VAL 13 0.371 -2.490 -1.265 114 HG23 VAL 13 2HG2 VAL 13 -0.618 -1.828 -2.566 115 H GLN 14 H GLN 14 -0.513 -4.943 -5.277 116 HA GLN 14 HA GLN 14 1.466 -6.691 -6.219 117 HB2 GLN 14 2HB GLN 14 -0.869 -7.275 -5.508 118 HB3 GLN 14 1HB GLN 14 -1.459 -6.610 -7.018 119 HG2 GLN 14 2HG GLN 14 0.532 -8.859 -6.954 120 HG3 GLN 14 1HG GLN 14 -1.199 -9.149 -6.820 121 HE21 GLN 14 1HE2 GLN 14 0.589 -10.050 -8.870 122 HE22 GLN 14 2HE2 GLN 14 0.011 -9.399 -10.364 123 H GLU 15 H GLU 15 -0.560 -4.360 -7.933 124 HA GLU 15 HA GLU 15 0.074 -5.023 -10.575 125 HB2 GLU 15 2HB GLU 15 -1.793 -3.574 -9.935 126 HB3 GLU 15 1HB GLU 15 -0.666 -2.344 -9.385 127 HG2 GLU 15 2HG GLU 15 0.135 -2.033 -11.664 128 HG3 GLU 15 1HG GLU 15 -0.956 -3.298 -12.231 129 H ARG 16 H ARG 16 1.545 -2.506 -8.491 130 HA ARG 16 HA ARG 16 3.454 -1.604 -10.343 131 HE ARG 16 HE ARG 16 1.355 2.229 -8.791 132 HB2 ARG 16 2HB ARG 16 3.611 -1.629 -7.316 133 HB3 ARG 16 1HB ARG 16 4.684 -0.713 -8.367 134 HG2 ARG 16 2HG ARG 16 1.695 -0.342 -8.155 135 HG3 ARG 16 1HG ARG 16 2.920 0.690 -7.418 136 HD2 ARG 16 2HD ARG 16 3.728 1.381 -9.573 137 HD3 ARG 16 1HD ARG 16 2.702 0.202 -10.391 138 HH11 ARG 16 1HH1 ARG 16 2.410 1.242 -11.910 139 HH12 ARG 16 2HH1 ARG 16 1.225 2.189 -12.738 140 HH21 ARG 16 1HH2 ARG 16 -0.157 3.449 -9.858 141 HH22 ARG 16 2HH2 ARG 16 -0.226 3.408 -11.590 142 H GLN 17 H GLN 17 3.571 -4.292 -8.063 143 HA GLN 17 HA GLN 17 6.288 -5.003 -8.478 144 HB2 GLN 17 2HB GLN 17 3.896 -6.584 -7.538 145 HB3 GLN 17 1HB GLN 17 5.512 -7.273 -7.625 146 HG2 GLN 17 2HG GLN 17 6.339 -5.769 -5.987 147 HG3 GLN 17 1HG GLN 17 4.875 -4.787 -6.051 148 HE21 GLN 17 1HE2 GLN 17 3.058 -5.478 -4.975 149 HE22 GLN 17 2HE2 GLN 17 3.071 -6.782 -3.850 150 H ASN 18 H ASN 18 3.366 -5.659 -10.305 151 HA ASN 18 HA ASN 18 4.578 -7.634 -12.020 152 HB2 ASN 18 2HB ASN 18 2.043 -6.004 -12.246 153 HB3 ASN 18 1HB ASN 18 2.556 -7.137 -13.492 154 HD21 ASN 18 1HD2 ASN 18 3.135 -7.743 -10.101 155 HD22 ASN 18 2HD2 ASN 18 2.008 -9.035 -9.953 156 H MET 19 H MET 19 4.464 -4.179 -11.911 157 HA MET 19 HA MET 19 5.370 -3.717 -14.600 158 HB2 MET 19 2HB MET 19 5.570 -1.915 -12.164 159 HB3 MET 19 1HB MET 19 5.789 -1.420 -13.838 160 HG2 MET 19 2HG MET 19 3.236 -2.525 -12.685 161 HG3 MET 19 1HG MET 19 3.581 -0.815 -12.928 162 HE1 MET 19 3HE MET 19 0.895 -1.690 -15.689 163 HE2 MET 19 1HE MET 19 1.247 -0.710 -14.267 164 HE3 MET 19 2HE MET 19 1.010 -2.449 -14.102 165 H ASP 20 H ASP 20 6.996 -3.488 -11.417 166 HA ASP 20 HA ASP 20 9.536 -4.240 -12.734 167 HB2 ASP 20 2HB ASP 20 9.203 -2.535 -10.244 168 HB3 ASP 20 1HB ASP 20 10.727 -2.960 -11.020 169 H ASP 21 H ASP 21 9.631 -6.410 -12.350 170 HA ASP 21 HA ASP 21 8.456 -7.727 -10.162 171 HB2 ASP 21 2HB ASP 21 9.705 -9.722 -10.941 172 HB3 ASP 21 1HB ASP 21 8.881 -8.879 -12.251 173 H GLY 22 H GLY 22 11.423 -6.030 -10.291 174 HA2 GLY 22 2HA GLY 22 12.347 -7.359 -7.811 175 HA3 GLY 22 1HA GLY 22 13.428 -6.643 -8.992 176 H ALA 23 H ALA 23 10.430 -5.107 -7.937 177 HA ALA 23 HA ALA 23 11.962 -3.237 -6.261 178 HB1 ALA 23 3HB ALA 23 11.886 -2.267 -8.512 179 HB2 ALA 23 1HB ALA 23 10.986 -1.297 -7.348 180 HB3 ALA 23 2HB ALA 23 10.125 -2.339 -8.480 181 HA PRO 24 HA PRO 24 8.142 -3.419 -3.873 182 HB2 PRO 24 2HB PRO 24 8.949 -1.909 -1.792 183 HB3 PRO 24 1HB PRO 24 9.547 -3.555 -2.039 184 HG2 PRO 24 2HG PRO 24 10.882 -0.950 -2.591 185 HG3 PRO 24 1HG PRO 24 11.580 -2.467 -2.003 186 HD2 PRO 24 2HD PRO 24 11.668 -1.542 -4.637 187 HD3 PRO 24 1HD PRO 24 11.969 -3.213 -4.120 188 H VAL 25 H VAL 25 6.497 -1.892 -3.132 189 HA VAL 25 HA VAL 25 6.289 0.332 -4.987 190 HB VAL 25 HB VAL 25 4.206 -0.571 -2.995 191 HG11 VAL 25 1HG1 VAL 25 2.626 0.396 -4.597 192 HG12 VAL 25 2HG1 VAL 25 3.963 0.868 -5.645 193 HG13 VAL 25 3HG1 VAL 25 3.792 1.603 -4.050 194 HG21 VAL 25 3HG2 VAL 25 4.910 -2.508 -4.287 195 HG22 VAL 25 1HG2 VAL 25 4.703 -1.606 -5.789 196 HG23 VAL 25 2HG2 VAL 25 3.301 -1.993 -4.792 197 H LYS 26 H LYS 26 5.515 2.458 -4.312 198 HA LYS 26 HA LYS 26 6.935 3.343 -1.892 199 HB2 LYS 26 2HB LYS 26 5.879 5.149 -4.072 200 HB3 LYS 26 1HB LYS 26 7.137 5.487 -2.900 201 HG2 LYS 26 2HG LYS 26 8.243 5.232 -4.951 202 HG3 LYS 26 1HG LYS 26 8.529 3.719 -4.089 203 HD2 LYS 26 2HD LYS 26 7.005 2.533 -5.432 204 HD3 LYS 26 1HD LYS 26 6.240 4.008 -6.021 205 HE2 LYS 26 2HE LYS 26 9.082 3.214 -6.653 206 HE3 LYS 26 1HE LYS 26 7.702 2.851 -7.689 207 HZ1 LYS 26 3HZ LYS 26 7.269 5.228 -7.870 208 HZ2 LYS 26 1HZ LYS 26 8.823 4.846 -8.421 209 HZ3 LYS 26 2HZ LYS 26 8.618 5.566 -6.905 210 H THR 27 H THR 27 5.903 4.487 -0.267 211 HA THR 27 HA THR 27 3.171 4.206 0.201 212 HB THR 27 HB THR 27 4.985 6.364 1.322 213 HG1 THR 27 HG1 THR 27 5.632 4.899 2.757 214 HG21 THR 27 3HG2 THR 27 3.419 6.397 3.222 215 HG22 THR 27 1HG2 THR 27 2.367 5.265 2.369 216 HG23 THR 27 2HG2 THR 27 2.632 6.884 1.722 217 H ARG 28 H ARG 28 4.913 6.956 -1.237 218 HA ARG 28 HA ARG 28 2.743 8.748 -1.427 219 HE ARG 28 HE ARG 28 4.194 11.809 -2.303 220 HB2 ARG 28 2HB ARG 28 5.150 8.502 -3.254 221 HB3 ARG 28 1HB ARG 28 4.076 9.892 -3.166 222 HG2 ARG 28 2HG ARG 28 5.776 8.878 -0.890 223 HG3 ARG 28 1HG ARG 28 6.202 10.218 -1.956 224 HD2 ARG 28 2HD ARG 28 3.753 10.115 -0.185 225 HD3 ARG 28 1HD ARG 28 5.248 10.966 0.202 226 HH11 ARG 28 1HH1 ARG 28 3.889 12.238 1.108 227 HH12 ARG 28 2HH1 ARG 28 3.108 13.776 0.946 228 HH21 ARG 28 1HH2 ARG 28 3.204 13.802 -2.473 229 HH22 ARG 28 2HH2 ARG 28 2.728 14.638 -1.036 230 H ASP 29 H ASP 29 4.060 6.532 -3.899 231 HA ASP 29 HA ASP 29 2.172 7.033 -5.905 232 HB2 ASP 29 2HB ASP 29 3.749 4.502 -5.355 233 HB3 ASP 29 1HB ASP 29 2.937 4.884 -6.872 234 H ILE 30 H ILE 30 2.079 4.749 -3.202 235 HA ILE 30 HA ILE 30 -0.293 3.389 -3.961 236 HB ILE 30 HB ILE 30 0.915 3.813 -1.216 237 HG12 ILE 30 2HG1 ILE 30 0.984 1.417 -3.079 238 HG13 ILE 30 1HG1 ILE 30 2.319 2.531 -2.804 239 HG21 ILE 30 1HG2 ILE 30 -1.457 3.343 -0.980 240 HG22 ILE 30 2HG2 ILE 30 -0.513 1.944 -0.475 241 HG23 ILE 30 3HG2 ILE 30 -1.312 1.947 -2.047 242 HD11 ILE 30 3HD1 ILE 30 2.614 0.468 -1.562 243 HD12 ILE 30 1HD1 ILE 30 1.076 0.725 -0.739 244 HD13 ILE 30 2HD1 ILE 30 2.420 1.835 -0.466 245 H ALA 31 H ALA 31 0.189 6.006 -1.572 246 HA ALA 31 HA ALA 31 -2.474 6.370 -0.847 247 HB1 ALA 31 3HB ALA 31 -0.595 7.315 0.388 248 HB2 ALA 31 1HB ALA 31 -1.774 8.561 -0.013 249 HB3 ALA 31 2HB ALA 31 -0.275 8.435 -0.934 250 H ASP 32 H ASP 32 -0.632 7.937 -3.439 251 HA ASP 32 HA ASP 32 -2.611 9.784 -4.230 252 HB2 ASP 32 2HB ASP 32 -0.152 9.824 -4.842 253 HB3 ASP 32 1HB ASP 32 -0.494 8.562 -6.019 254 H ALA 33 H ALA 33 -1.736 6.613 -5.652 255 HA ALA 33 HA ALA 33 -3.804 6.565 -7.574 256 HB1 ALA 33 3HB ALA 33 -1.816 5.154 -7.737 257 HB2 ALA 33 1HB ALA 33 -3.292 4.192 -7.824 258 HB3 ALA 33 2HB ALA 33 -2.349 4.229 -6.333 259 H ALA 34 H ALA 34 -3.746 5.632 -4.198 260 HA ALA 34 HA ALA 34 -6.282 4.263 -4.257 261 HB1 ALA 34 3HB ALA 34 -6.071 4.175 -1.830 262 HB2 ALA 34 1HB ALA 34 -4.715 5.304 -1.893 263 HB3 ALA 34 2HB ALA 34 -4.560 3.697 -2.607 264 H GLY 35 H GLY 35 -5.238 7.560 -3.789 265 HA2 GLY 35 2HA GLY 35 -6.509 9.498 -3.782 266 HA3 GLY 35 1HA GLY 35 -7.959 8.513 -3.890 267 H LEU 36 H LEU 36 -5.380 8.599 -1.442 268 HA LEU 36 HA LEU 36 -7.321 9.562 0.556 269 HG LEU 36 HG LEU 36 -7.619 6.598 -0.233 270 HB2 LEU 36 2HB LEU 36 -5.478 7.189 0.902 271 HB3 LEU 36 1HB LEU 36 -6.399 7.927 2.199 272 HD11 LEU 36 1HD1 LEU 36 -6.470 4.970 1.183 273 HD12 LEU 36 2HD1 LEU 36 -8.221 4.777 1.275 274 HD13 LEU 36 3HD1 LEU 36 -7.351 5.565 2.591 275 HD21 LEU 36 3HD2 LEU 36 -9.049 8.335 0.704 276 HD22 LEU 36 1HD2 LEU 36 -8.879 7.631 2.313 277 HD23 LEU 36 2HD2 LEU 36 -9.716 6.739 1.042 278 H SER 37 H SER 37 -5.997 9.936 2.746 279 HA SER 37 HA SER 37 -3.901 11.826 2.075 280 HG SER 37 HG SER 37 -6.162 13.023 4.549 281 HB2 SER 37 2HB SER 37 -5.073 11.058 4.766 282 HB3 SER 37 1HB SER 37 -3.915 12.364 4.503 283 H ILE 38 H ILE 38 -1.745 11.738 2.692 284 HA ILE 38 HA ILE 38 -0.434 9.312 2.459 285 HB ILE 38 HB ILE 38 0.621 11.794 3.837 286 HG12 ILE 38 2HG1 ILE 38 -0.209 12.258 1.565 287 HG13 ILE 38 1HG1 ILE 38 1.544 12.394 1.638 288 HG21 ILE 38 1HG2 ILE 38 2.092 9.450 2.619 289 HG22 ILE 38 2HG2 ILE 38 2.027 9.884 4.327 290 HG23 ILE 38 3HG2 ILE 38 2.851 10.940 3.181 291 HD11 ILE 38 3HD1 ILE 38 1.763 10.200 0.604 292 HD12 ILE 38 1HD1 ILE 38 0.809 11.295 -0.398 293 HD13 ILE 38 2HD1 ILE 38 0.005 10.044 0.552 294 H TYR 39 H TYR 39 -0.838 11.176 5.492 295 HA TYR 39 HA TYR 39 0.271 9.349 7.270 296 HD1 TYR 39 HD2 TYR 39 0.969 10.566 9.770 297 HD2 TYR 39 HD1 TYR 39 -3.272 10.236 9.495 298 HE1 TYR 39 HE2 TYR 39 0.864 9.919 12.140 299 HE2 TYR 39 HE1 TYR 39 -3.381 9.596 11.866 300 HH TYR 39 HH TYR 39 -0.774 9.974 13.993 301 HB2 TYR 39 2HB TYR 39 -0.338 11.633 7.902 302 HB3 TYR 39 1HB TYR 39 -2.044 11.254 7.718 303 H GLN 40 H GLN 40 -3.124 9.627 6.262 304 HA GLN 40 HA GLN 40 -4.216 7.555 7.782 305 HB2 GLN 40 2HB GLN 40 -5.594 9.186 6.620 306 HB3 GLN 40 1HB GLN 40 -5.027 8.605 5.062 307 HG2 GLN 40 2HG GLN 40 -6.126 6.456 5.459 308 HG3 GLN 40 1HG GLN 40 -6.689 7.036 7.026 309 HE21 GLN 40 1HE2 GLN 40 -8.839 6.739 6.433 310 HE22 GLN 40 2HE2 GLN 40 -9.641 7.793 5.324 311 H VAL 41 H VAL 41 -2.858 7.446 4.490 312 HA VAL 41 HA VAL 41 -3.374 4.693 4.045 313 HB VAL 41 HB VAL 41 -1.312 6.488 2.747 314 HG11 VAL 41 1HG1 VAL 41 -1.321 4.862 0.903 315 HG12 VAL 41 2HG1 VAL 41 -2.385 3.811 1.837 316 HG13 VAL 41 3HG1 VAL 41 -0.746 4.135 2.404 317 HG21 VAL 41 3HG2 VAL 41 -3.586 7.315 2.476 318 HG22 VAL 41 1HG2 VAL 41 -4.111 5.735 1.889 319 HG23 VAL 41 2HG2 VAL 41 -2.970 6.694 0.944 320 H ARG 42 H ARG 42 -0.533 6.408 5.329 321 HA ARG 42 HA ARG 42 1.280 4.308 5.490 322 HE ARG 42 HE ARG 42 4.037 6.541 7.643 323 HB2 ARG 42 2HB ARG 42 0.837 6.611 7.402 324 HB3 ARG 42 1HB ARG 42 2.210 5.515 7.502 325 HG2 ARG 42 2HG ARG 42 2.981 6.219 5.314 326 HG3 ARG 42 1HG ARG 42 1.559 7.245 5.117 327 HD2 ARG 42 2HD ARG 42 3.526 8.552 5.771 328 HD3 ARG 42 1HD ARG 42 2.267 8.620 7.003 329 HH11 ARG 42 1HH1 ARG 42 3.951 9.987 7.525 330 HH12 ARG 42 2HH1 ARG 42 5.157 10.156 8.755 331 HH21 ARG 42 1HH2 ARG 42 5.581 6.796 9.219 332 HH22 ARG 42 2HH2 ARG 42 6.055 8.393 9.696 333 H LEU 43 H LEU 43 -1.261 5.212 7.813 334 HA LEU 43 HA LEU 43 -0.805 3.201 9.714 335 HG LEU 43 HG LEU 43 -1.812 6.165 9.760 336 HB2 LEU 43 2HB LEU 43 -3.418 4.498 8.910 337 HB3 LEU 43 1HB LEU 43 -3.181 3.534 10.356 338 HD11 LEU 43 1HD1 LEU 43 -4.180 6.460 10.234 339 HD12 LEU 43 2HD1 LEU 43 -3.200 7.047 11.578 340 HD13 LEU 43 3HD1 LEU 43 -4.024 5.491 11.701 341 HD21 LEU 43 3HD2 LEU 43 -0.984 6.029 12.052 342 HD22 LEU 43 1HD2 LEU 43 -0.408 4.668 11.091 343 HD23 LEU 43 2HD2 LEU 43 -1.727 4.440 12.244 344 H TYR 44 H TYR 44 -3.004 3.199 6.897 345 HA TYR 44 HA TYR 44 -4.027 0.607 7.214 346 HD1 TYR 44 HD1 TYR 44 -5.482 1.874 7.714 347 HD2 TYR 44 HD2 TYR 44 -5.664 3.178 3.661 348 HE1 TYR 44 HE1 TYR 44 -7.460 3.229 8.241 349 HE2 TYR 44 HE2 TYR 44 -7.644 4.539 4.187 350 HH TYR 44 HH TYR 44 -9.447 4.610 5.846 351 HB2 TYR 44 2HB TYR 44 -3.574 2.170 4.659 352 HB3 TYR 44 1HB TYR 44 -4.548 0.709 4.774 353 H LEU 45 H LEU 45 -1.153 1.705 5.444 354 HA LEU 45 HA LEU 45 -0.471 -0.779 4.299 355 HG LEU 45 HG LEU 45 -0.484 2.138 3.333 356 HB2 LEU 45 2HB LEU 45 1.279 1.587 4.990 357 HB3 LEU 45 1HB LEU 45 1.776 0.236 3.985 358 HD11 LEU 45 1HD1 LEU 45 1.675 3.256 3.213 359 HD12 LEU 45 2HD1 LEU 45 1.009 3.008 1.598 360 HD13 LEU 45 3HD1 LEU 45 2.303 1.963 2.187 361 HD21 LEU 45 3HD2 LEU 45 0.772 -0.086 1.718 362 HD22 LEU 45 1HD2 LEU 45 -0.425 1.064 1.120 363 HD23 LEU 45 2HD2 LEU 45 -0.856 -0.072 2.397 364 H GLU 46 H GLU 46 0.683 0.778 7.313 365 HA GLU 46 HA GLU 46 2.352 -1.336 8.131 366 HB2 GLU 46 2HB GLU 46 0.882 0.769 9.731 367 HB3 GLU 46 1HB GLU 46 1.979 -0.394 10.470 368 HG2 GLU 46 2HG GLU 46 3.779 0.437 8.957 369 HG3 GLU 46 1HG GLU 46 2.666 1.678 8.390 370 H GLN 47 H GLN 47 -1.120 -0.769 8.703 371 HA GLN 47 HA GLN 47 -1.681 -3.041 10.241 372 HB2 GLN 47 2HB GLN 47 -3.384 -1.653 8.159 373 HB3 GLN 47 1HB GLN 47 -3.983 -2.921 9.219 374 HG2 GLN 47 2HG GLN 47 -3.504 -1.520 11.164 375 HG3 GLN 47 1HG GLN 47 -2.897 -0.251 10.100 376 HE21 GLN 47 1HE2 GLN 47 -4.438 1.216 10.798 377 HE22 GLN 47 2HE2 GLN 47 -6.105 1.094 10.364 378 H LEU 48 H LEU 48 -1.522 -2.671 6.709 379 HA LEU 48 HA LEU 48 -2.320 -5.278 6.036 380 HG LEU 48 HG LEU 48 -3.002 -2.634 4.752 381 HB2 LEU 48 2HB LEU 48 -0.625 -3.279 4.544 382 HB3 LEU 48 1HB LEU 48 -1.106 -4.819 3.855 383 HD11 LEU 48 1HD1 LEU 48 -3.460 -2.321 2.380 384 HD12 LEU 48 2HD1 LEU 48 -2.259 -3.545 1.970 385 HD13 LEU 48 3HD1 LEU 48 -1.755 -2.034 2.729 386 HD21 LEU 48 3HD2 LEU 48 -4.740 -4.003 3.689 387 HD22 LEU 48 1HD2 LEU 48 -3.981 -4.846 5.040 388 HD23 LEU 48 2HD2 LEU 48 -3.554 -5.271 3.381 389 H HIS 49 H HIS 49 0.863 -4.024 6.933 390 HA HIS 49 HA HIS 49 2.226 -6.486 6.351 391 HD1 HIS 49 HD1 HIS 49 4.521 -7.216 6.392 392 HD2 HIS 49 HD2 HIS 49 5.254 -4.735 9.637 393 HE1 HIS 49 HE1 HIS 49 6.528 -8.182 7.529 394 HE2 HIS 49 HE2 HIS 49 7.068 -6.559 9.369 395 HB2 HIS 49 2HB HIS 49 3.503 -4.411 6.491 396 HB3 HIS 49 1HB HIS 49 3.024 -4.194 8.171 397 H ASP 50 H ASP 50 0.645 -5.133 9.195 398 HA ASP 50 HA ASP 50 1.411 -7.104 11.061 399 HB2 ASP 50 2HB ASP 50 0.482 -4.971 11.759 400 HB3 ASP 50 1HB ASP 50 -1.039 -5.326 10.948 401 H VAL 51 H VAL 51 -1.555 -6.838 9.074 402 HA VAL 51 HA VAL 51 -2.590 -9.361 9.962 403 HB VAL 51 HB VAL 51 -4.354 -9.042 8.286 404 HG11 VAL 51 1HG1 VAL 51 -4.582 -7.943 10.450 405 HG12 VAL 51 2HG1 VAL 51 -5.290 -6.948 9.180 406 HG13 VAL 51 3HG1 VAL 51 -3.713 -6.531 9.848 407 HG21 VAL 51 3HG2 VAL 51 -3.001 -8.071 6.490 408 HG22 VAL 51 1HG2 VAL 51 -2.786 -6.599 7.436 409 HG23 VAL 51 2HG2 VAL 51 -4.392 -7.051 6.858 410 H GLY 52 H GLY 52 -0.028 -8.815 7.985 411 HA2 GLY 52 2HA GLY 52 1.266 -10.479 7.008 412 HA3 GLY 52 1HA GLY 52 -0.084 -11.585 7.159 413 H VAL 53 H VAL 53 -0.455 -8.518 5.493 414 HA VAL 53 HA VAL 53 -0.742 -9.940 2.943 415 HB VAL 53 HB VAL 53 -1.376 -7.059 3.639 416 HG11 VAL 53 1HG1 VAL 53 -2.013 -8.630 1.133 417 HG12 VAL 53 2HG1 VAL 53 -0.834 -7.323 1.264 418 HG13 VAL 53 3HG1 VAL 53 -2.551 -6.987 1.488 419 HG21 VAL 53 3HG2 VAL 53 -3.713 -7.742 3.587 420 HG22 VAL 53 1HG2 VAL 53 -2.827 -8.687 4.783 421 HG23 VAL 53 2HG2 VAL 53 -3.240 -9.403 3.226 422 H LEU 54 H LEU 54 0.808 -6.919 4.071 423 HA LEU 54 HA LEU 54 2.622 -7.025 1.766 424 HG LEU 54 HG LEU 54 0.129 -5.041 2.243 425 HB2 LEU 54 2HB LEU 54 2.050 -4.768 3.696 426 HB3 LEU 54 1HB LEU 54 3.130 -4.668 2.318 427 HD11 LEU 54 1HD1 LEU 54 1.874 -2.770 1.282 428 HD12 LEU 54 2HD1 LEU 54 0.880 -2.760 2.737 429 HD13 LEU 54 3HD1 LEU 54 0.119 -2.865 1.151 430 HD21 LEU 54 3HD2 LEU 54 1.132 -6.367 0.470 431 HD22 LEU 54 1HD2 LEU 54 2.106 -4.989 -0.043 432 HD23 LEU 54 2HD2 LEU 54 0.350 -4.940 -0.209 433 H GLU 55 H GLU 55 4.826 -7.009 1.946 434 HA GLU 55 HA GLU 55 6.012 -7.650 4.523 435 HB2 GLU 55 2HB GLU 55 6.608 -9.004 2.546 436 HB3 GLU 55 1HB GLU 55 7.233 -7.568 1.749 437 HG2 GLU 55 2HG GLU 55 9.049 -8.898 2.635 438 HG3 GLU 55 1HG GLU 55 8.954 -7.353 3.479 439 H LYS 56 H LYS 56 7.571 -6.436 5.531 440 HA LYS 56 HA LYS 56 7.606 -3.583 4.920 441 HB2 LYS 56 2HB LYS 56 7.199 -4.328 7.223 442 HB3 LYS 56 1HB LYS 56 8.730 -5.185 7.234 443 HG2 LYS 56 2HG LYS 56 9.861 -2.946 6.923 444 HG3 LYS 56 1HG LYS 56 8.285 -2.204 7.220 445 HD2 LYS 56 2HD LYS 56 8.174 -3.356 9.401 446 HD3 LYS 56 1HD LYS 56 9.761 -4.059 9.100 447 HE2 LYS 56 2HE LYS 56 10.064 -2.180 10.543 448 HE3 LYS 56 1HE LYS 56 10.677 -1.730 8.953 449 HZ1 LYS 56 3HZ LYS 56 7.981 -1.020 9.976 450 HZ2 LYS 56 1HZ LYS 56 8.688 -0.482 8.536 451 HZ3 LYS 56 2HZ LYS 56 9.322 0.007 10.024 452 H VAL 57 H VAL 57 9.088 -2.986 3.388 453 HA VAL 57 HA VAL 57 11.761 -4.251 3.460 454 HB VAL 57 HB VAL 57 10.462 -2.756 1.166 455 HG11 VAL 57 1HG1 VAL 57 13.010 -4.386 1.261 456 HG12 VAL 57 2HG1 VAL 57 12.908 -2.631 1.122 457 HG13 VAL 57 3HG1 VAL 57 12.306 -3.654 -0.182 458 HG21 VAL 57 3HG2 VAL 57 10.171 -4.943 0.116 459 HG22 VAL 57 1HG2 VAL 57 9.310 -4.873 1.655 460 HG23 VAL 57 2HG2 VAL 57 10.847 -5.734 1.542 461 H ASN 58 H ASN 58 13.052 -3.003 4.737 462 HA ASN 58 HA ASN 58 13.277 -0.135 4.043 463 HB2 ASN 58 2HB ASN 58 12.474 -0.497 6.360 464 HB3 ASN 58 1HB ASN 58 13.917 -1.442 6.703 465 HD21 ASN 58 1HD2 ASN 58 13.724 1.529 4.800 466 HD22 ASN 58 2HD2 ASN 58 14.688 2.477 5.874 467 H ALA 59 H ALA 59 15.050 0.225 2.863 468 HA ALA 59 HA ALA 59 17.287 -1.615 2.885 469 HB1 ALA 59 3HB ALA 59 18.147 -0.294 1.041 470 HB2 ALA 59 1HB ALA 59 16.930 0.951 1.333 471 HB3 ALA 59 2HB ALA 59 16.440 -0.653 0.786 472 H GLY 60 H GLY 60 16.508 0.876 4.891 473 HA2 GLY 60 2HA GLY 60 18.468 1.095 6.566 474 HA3 GLY 60 1HA GLY 60 19.277 1.840 5.197 475 H LYS 61 H LYS 61 19.502 3.753 6.522 476 HA LYS 61 HA LYS 61 17.119 5.166 7.371 477 HB2 LYS 61 2HB LYS 61 20.010 6.068 7.374 478 HB3 LYS 61 1HB LYS 61 18.673 6.914 8.141 479 HG2 LYS 61 2HG LYS 61 18.319 4.886 9.572 480 HG3 LYS 61 1HG LYS 61 19.814 4.228 8.903 481 HD2 LYS 61 2HD LYS 61 19.529 6.806 10.458 482 HD3 LYS 61 1HD LYS 61 20.215 5.299 11.061 483 HE2 LYS 61 2HE LYS 61 21.326 6.919 8.766 484 HE3 LYS 61 1HE LYS 61 21.936 6.950 10.417 485 HZ1 LYS 61 3HZ LYS 61 23.256 5.500 9.038 486 HZ2 LYS 61 1HZ LYS 61 21.899 4.583 8.625 487 HZ3 LYS 61 2HZ LYS 61 22.458 4.593 10.220 488 H GLY 62 H GLY 62 16.688 7.423 6.701 489 HA2 GLY 62 2HA GLY 62 16.544 9.135 5.112 490 HA3 GLY 62 1HA GLY 62 17.696 8.270 4.106 491 H VAL 63 H VAL 63 16.635 5.953 3.486 492 HA VAL 63 HA VAL 63 14.272 6.549 1.941 493 HB VAL 63 HB VAL 63 14.428 4.190 1.173 494 HG11 VAL 63 1HG1 VAL 63 17.016 5.749 1.047 495 HG12 VAL 63 2HG1 VAL 63 15.631 5.931 -0.028 496 HG13 VAL 63 3HG1 VAL 63 16.561 4.433 -0.036 497 HG21 VAL 63 3HG2 VAL 63 15.308 3.156 3.203 498 HG22 VAL 63 1HG2 VAL 63 16.821 4.046 3.022 499 HG23 VAL 63 2HG2 VAL 63 16.370 2.821 1.837 500 HA PRO 64 HA PRO 64 11.420 5.297 5.121 501 HB2 PRO 64 2HB PRO 64 9.139 5.278 3.684 502 HB3 PRO 64 1HB PRO 64 9.985 6.782 4.072 503 HG2 PRO 64 2HG PRO 64 10.046 5.178 1.535 504 HG3 PRO 64 1HG PRO 64 9.878 6.933 1.743 505 HD2 PRO 64 2HD PRO 64 12.243 5.734 1.120 506 HD3 PRO 64 1HD PRO 64 12.145 7.237 2.058 507 H GLY 65 H GLY 65 9.366 3.707 5.183 508 HA2 GLY 65 2HA GLY 65 10.381 1.053 4.677 509 HA3 GLY 65 1HA GLY 65 8.845 1.462 5.426 510 H LEU 66 H LEU 66 10.448 0.576 2.509 511 HA LEU 66 HA LEU 66 8.307 1.194 0.709 512 HG LEU 66 HG LEU 66 11.294 1.784 0.606 513 HB2 LEU 66 2HB LEU 66 10.707 -0.620 0.416 514 HB3 LEU 66 1HB LEU 66 9.598 -0.228 -0.890 515 HD11 LEU 66 1HD1 LEU 66 12.649 0.302 -0.792 516 HD12 LEU 66 2HD1 LEU 66 12.605 1.943 -1.438 517 HD13 LEU 66 3HD1 LEU 66 11.627 0.677 -2.181 518 HD21 LEU 66 3HD2 LEU 66 9.495 2.097 -1.804 519 HD22 LEU 66 1HD2 LEU 66 10.575 3.339 -1.166 520 HD23 LEU 66 2HD2 LEU 66 9.221 2.765 -0.194 521 H TRP 67 H TRP 67 6.781 -0.191 -0.228 522 HA TRP 67 HA TRP 67 6.109 -2.448 1.548 523 HD1 TRP 67 HD1 TRP 67 4.636 1.635 0.714 524 HE1 TRP 67 HE1 TRP 67 4.611 2.766 3.020 525 HE3 TRP 67 HE3 TRP 67 4.343 -2.537 3.649 526 HZ2 TRP 67 HZ2 TRP 67 4.481 1.993 5.736 527 HZ3 TRP 67 HZ3 TRP 67 4.280 -2.260 6.093 528 HH2 TRP 67 HH2 TRP 67 4.348 -0.039 7.114 529 HB2 TRP 67 2HB TRP 67 4.239 -0.775 -0.143 530 HB3 TRP 67 1HB TRP 67 3.775 -1.991 1.046 531 H ARG 68 H ARG 68 6.425 -4.381 0.708 532 HA ARG 68 HA ARG 68 5.517 -4.892 -2.068 533 HE ARG 68 HE ARG 68 7.716 -9.061 -4.013 534 HB2 ARG 68 2HB ARG 68 7.989 -5.193 -1.735 535 HB3 ARG 68 1HB ARG 68 7.644 -6.420 -0.525 536 HG2 ARG 68 2HG ARG 68 6.678 -7.866 -2.166 537 HG3 ARG 68 1HG ARG 68 6.742 -6.603 -3.394 538 HD2 ARG 68 2HD ARG 68 9.184 -6.660 -3.334 539 HD3 ARG 68 1HD ARG 68 9.131 -7.902 -2.080 540 HH11 ARG 68 1HH1 ARG 68 10.750 -7.425 -4.171 541 HH12 ARG 68 2HH1 ARG 68 11.308 -8.387 -5.497 542 HH21 ARG 68 1HH2 ARG 68 8.455 -10.281 -5.692 543 HH22 ARG 68 2HH2 ARG 68 10.032 -9.987 -6.332 544 H LEU 69 H LEU 69 4.887 -7.480 -2.158 545 HA LEU 69 HA LEU 69 3.249 -7.967 0.243 546 HG LEU 69 HG LEU 69 3.639 -8.386 -3.430 547 HB2 LEU 69 2HB LEU 69 2.083 -9.689 -1.186 548 HB3 LEU 69 1HB LEU 69 1.872 -8.016 -1.654 549 HD11 LEU 69 1HD1 LEU 69 4.704 -10.380 -2.544 550 HD12 LEU 69 2HD1 LEU 69 4.049 -10.690 -4.152 551 HD13 LEU 69 3HD1 LEU 69 3.201 -11.286 -2.726 552 HD21 LEU 69 3HD2 LEU 69 1.276 -8.290 -3.971 553 HD22 LEU 69 1HD2 LEU 69 1.093 -10.005 -3.592 554 HD23 LEU 69 2HD2 LEU 69 2.083 -9.503 -4.966 555 H LEU 70 H LEU 70 3.062 -10.189 1.085 556 HA LEU 70 HA LEU 70 5.610 -11.412 1.464 557 HG LEU 70 HG LEU 70 3.314 -10.457 3.445 558 HB2 LEU 70 2HB LEU 70 2.844 -12.454 2.116 559 HB3 LEU 70 1HB LEU 70 4.343 -13.190 2.651 560 HD11 LEU 70 1HD1 LEU 70 3.130 -11.434 5.673 561 HD12 LEU 70 2HD1 LEU 70 3.675 -12.992 5.047 562 HD13 LEU 70 3HD1 LEU 70 2.137 -12.314 4.513 563 HD21 LEU 70 3HD2 LEU 70 5.844 -11.883 4.273 564 HD22 LEU 70 1HD2 LEU 70 5.249 -10.360 4.936 565 HD23 LEU 70 2HD2 LEU 70 5.749 -10.451 3.247 566 H GLU 71 H GLU 71 6.494 -12.109 -0.436 567 HA GLU 71 HA GLU 71 4.913 -13.645 -2.339 568 HB2 GLU 71 2HB GLU 71 6.454 -11.811 -3.051 569 HB3 GLU 71 1HB GLU 71 7.812 -12.785 -2.504 570 HG2 GLU 71 2HG GLU 71 7.177 -14.528 -4.140 571 HG3 GLU 71 1HG GLU 71 5.886 -13.476 -4.720 Start of MODEL 9 1 HA MET 1 HA MET 1 -14.097 -6.790 7.162 2 H1 MET 1 1H MET 1 -11.256 -7.536 6.767 3 H2 MET 1 2H MET 1 -12.584 -8.568 6.596 4 H3 MET 1 3H MET 1 -12.208 -7.922 8.111 5 HB2 MET 1 2HB MET 1 -12.610 -5.529 8.627 6 HB3 MET 1 1HB MET 1 -11.569 -5.128 7.267 7 HG2 MET 1 2HG MET 1 -13.395 -3.844 6.257 8 HG3 MET 1 1HG MET 1 -14.421 -4.230 7.636 9 HE1 MET 1 3HE MET 1 -14.861 -1.567 7.830 10 HE2 MET 1 1HE MET 1 -13.731 -1.239 6.516 11 HE3 MET 1 2HE MET 1 -13.570 -0.389 8.055 12 H SER 2 H SER 2 -14.995 -7.080 5.177 13 HA SER 2 HA SER 2 -13.621 -6.711 2.714 14 HG SER 2 HG SER 2 -16.889 -6.531 1.225 15 HB2 SER 2 2HB SER 2 -15.590 -8.148 2.825 16 HB3 SER 2 1HB SER 2 -16.598 -6.777 3.287 17 H GLU 3 H GLU 3 -12.746 -4.729 2.343 18 HA GLU 3 HA GLU 3 -14.593 -2.432 2.200 19 HB2 GLU 3 2HB GLU 3 -13.386 -2.115 4.253 20 HB3 GLU 3 1HB GLU 3 -11.855 -2.490 3.481 21 HG2 GLU 3 2HG GLU 3 -12.047 -0.117 3.927 22 HG3 GLU 3 1HG GLU 3 -11.975 -0.422 2.195 23 H SER 4 H SER 4 -14.490 -1.315 0.345 24 HA SER 4 HA SER 4 -12.940 -2.191 -1.847 25 HG SER 4 HG SER 4 -16.045 -1.022 -1.688 26 HB2 SER 4 2HB SER 4 -14.486 0.386 -1.454 27 HB3 SER 4 1HB SER 4 -13.785 -0.122 -2.991 28 H ILE 5 H ILE 5 -12.455 0.441 0.458 29 HA ILE 5 HA ILE 5 -10.332 1.762 -0.819 30 HB ILE 5 HB ILE 5 -10.790 1.415 2.159 31 HG12 ILE 5 2HG1 ILE 5 -12.708 2.445 1.021 32 HG13 ILE 5 1HG1 ILE 5 -11.880 3.629 2.026 33 HG21 ILE 5 1HG2 ILE 5 -8.508 2.119 1.728 34 HG22 ILE 5 2HG2 ILE 5 -9.431 3.457 2.411 35 HG23 ILE 5 3HG2 ILE 5 -9.078 3.420 0.683 36 HD11 ILE 5 3HD1 ILE 5 -11.625 3.358 -0.963 37 HD12 ILE 5 1HD1 ILE 5 -10.793 4.547 0.041 38 HD13 ILE 5 2HD1 ILE 5 -12.552 4.584 -0.098 39 H VAL 6 H VAL 6 -10.231 -0.900 1.561 40 HA VAL 6 HA VAL 6 -7.442 -1.270 1.588 41 HB VAL 6 HB VAL 6 -9.589 -3.372 2.016 42 HG11 VAL 6 1HG1 VAL 6 -7.392 -4.367 1.652 43 HG12 VAL 6 2HG1 VAL 6 -7.882 -4.551 3.336 44 HG13 VAL 6 3HG1 VAL 6 -6.697 -3.322 2.892 45 HG21 VAL 6 3HG2 VAL 6 -9.346 -2.856 4.409 46 HG22 VAL 6 1HG2 VAL 6 -9.909 -1.457 3.496 47 HG23 VAL 6 2HG2 VAL 6 -8.226 -1.552 4.012 48 H THR 7 H THR 7 -9.959 -2.901 -0.347 49 HA THR 7 HA THR 7 -8.305 -4.590 -1.844 50 HB THR 7 HB THR 7 -10.921 -3.299 -2.673 51 HG1 THR 7 HG1 THR 7 -11.432 -4.615 -1.024 52 HG21 THR 7 3HG2 THR 7 -9.487 -5.682 -3.868 53 HG22 THR 7 1HG2 THR 7 -9.703 -4.112 -4.639 54 HG23 THR 7 2HG2 THR 7 -11.102 -5.130 -4.306 55 H LYS 8 H LYS 8 -9.247 -1.221 -2.455 56 HA LYS 8 HA LYS 8 -8.088 -0.866 -4.970 57 HB2 LYS 8 2HB LYS 8 -9.547 0.803 -3.900 58 HB3 LYS 8 1HB LYS 8 -8.315 1.115 -2.685 59 HG2 LYS 8 2HG LYS 8 -8.292 2.886 -4.310 60 HG3 LYS 8 1HG LYS 8 -6.813 1.938 -4.481 61 HD2 LYS 8 2HD LYS 8 -7.754 0.771 -6.406 62 HD3 LYS 8 1HD LYS 8 -9.282 1.633 -6.202 63 HE2 LYS 8 2HE LYS 8 -8.098 3.765 -6.613 64 HE3 LYS 8 1HE LYS 8 -6.607 2.865 -6.886 65 HZ1 LYS 8 3HZ LYS 8 -7.657 1.755 -8.753 66 HZ2 LYS 8 1HZ LYS 8 -7.699 3.434 -8.964 67 HZ3 LYS 8 2HZ LYS 8 -9.092 2.607 -8.484 68 H ILE 9 H ILE 9 -6.681 -0.205 -1.765 69 HA ILE 9 HA ILE 9 -4.108 0.490 -2.596 70 HB ILE 9 HB ILE 9 -5.006 -0.798 -0.008 71 HG12 ILE 9 2HG1 ILE 9 -4.464 2.094 -0.758 72 HG13 ILE 9 1HG1 ILE 9 -6.050 1.379 -0.492 73 HG21 ILE 9 1HG2 ILE 9 -2.903 0.028 0.960 74 HG22 ILE 9 2HG2 ILE 9 -2.378 0.562 -0.637 75 HG23 ILE 9 3HG2 ILE 9 -2.610 -1.156 -0.314 76 HD11 ILE 9 3HD1 ILE 9 -3.885 1.732 1.567 77 HD12 ILE 9 1HD1 ILE 9 -5.449 0.968 1.850 78 HD13 ILE 9 2HD1 ILE 9 -5.365 2.676 1.420 79 H ILE 10 H ILE 10 -5.316 -2.733 -1.588 80 HA ILE 10 HA ILE 10 -2.909 -4.141 -1.926 81 HB ILE 10 HB ILE 10 -5.751 -5.149 -2.246 82 HG12 ILE 10 2HG1 ILE 10 -3.850 -5.237 0.121 83 HG13 ILE 10 1HG1 ILE 10 -5.265 -4.200 -0.021 84 HG21 ILE 10 1HG2 ILE 10 -3.185 -6.708 -1.903 85 HG22 ILE 10 2HG2 ILE 10 -4.208 -6.673 -3.341 86 HG23 ILE 10 3HG2 ILE 10 -4.809 -7.393 -1.847 87 HD11 ILE 10 3HD1 ILE 10 -6.705 -6.179 -0.051 88 HD12 ILE 10 1HD1 ILE 10 -5.718 -6.104 1.408 89 HD13 ILE 10 2HD1 ILE 10 -5.284 -7.210 0.106 90 H SER 11 H SER 11 -5.536 -3.537 -4.253 91 HA SER 11 HA SER 11 -4.461 -5.011 -6.405 92 HG SER 11 HG SER 11 -6.676 -4.390 -8.432 93 HB2 SER 11 2HB SER 11 -6.803 -4.255 -6.355 94 HB3 SER 11 1HB SER 11 -6.271 -2.578 -6.494 95 H ILE 12 H ILE 12 -3.869 -1.724 -5.305 96 HA ILE 12 HA ILE 12 -2.309 -0.891 -7.552 97 HB ILE 12 HB ILE 12 -2.393 0.152 -4.711 98 HG12 ILE 12 2HG1 ILE 12 -3.615 1.280 -7.250 99 HG13 ILE 12 1HG1 ILE 12 -4.499 0.327 -6.064 100 HG21 ILE 12 1HG2 ILE 12 -0.261 0.747 -5.714 101 HG22 ILE 12 2HG2 ILE 12 -1.289 2.175 -5.603 102 HG23 ILE 12 3HG2 ILE 12 -1.081 1.357 -7.152 103 HD11 ILE 12 3HD1 ILE 12 -4.903 2.705 -5.798 104 HD12 ILE 12 1HD1 ILE 12 -3.180 2.980 -5.541 105 HD13 ILE 12 2HD1 ILE 12 -4.107 2.026 -4.380 106 H VAL 13 H VAL 13 -1.402 -2.048 -4.288 107 HA VAL 13 HA VAL 13 1.370 -2.101 -4.618 108 HB VAL 13 HB VAL 13 -0.330 -4.032 -3.013 109 HG11 VAL 13 1HG1 VAL 13 1.910 -4.923 -3.318 110 HG12 VAL 13 2HG1 VAL 13 1.711 -4.369 -1.655 111 HG13 VAL 13 3HG1 VAL 13 2.619 -3.389 -2.807 112 HG21 VAL 13 3HG2 VAL 13 -0.714 -1.682 -2.408 113 HG22 VAL 13 1HG2 VAL 13 1.018 -1.465 -2.157 114 HG23 VAL 13 2HG2 VAL 13 0.105 -2.556 -1.116 115 H GLN 14 H GLN 14 -1.038 -4.603 -5.364 116 HA GLN 14 HA GLN 14 0.770 -6.526 -6.372 117 HB2 GLN 14 2HB GLN 14 -1.581 -6.992 -5.681 118 HB3 GLN 14 1HB GLN 14 -2.143 -6.146 -7.116 119 HG2 GLN 14 2HG GLN 14 -1.057 -7.787 -8.542 120 HG3 GLN 14 1HG GLN 14 -0.410 -8.615 -7.126 121 HE21 GLN 14 1HE2 GLN 14 -1.450 -10.542 -7.598 122 HE22 GLN 14 2HE2 GLN 14 -3.158 -10.740 -7.453 123 H GLU 15 H GLU 15 -1.043 -3.908 -7.955 124 HA GLU 15 HA GLU 15 -0.379 -4.393 -10.616 125 HB2 GLU 15 2HB GLU 15 -1.979 -2.662 -9.917 126 HB3 GLU 15 1HB GLU 15 -0.675 -1.724 -9.208 127 HG2 GLU 15 2HG GLU 15 -1.268 -0.744 -11.303 128 HG3 GLU 15 1HG GLU 15 0.325 -1.482 -11.467 129 H ARG 16 H ARG 16 1.405 -2.491 -8.188 130 HA ARG 16 HA ARG 16 3.585 -1.834 -9.857 131 HE ARG 16 HE ARG 16 3.245 2.429 -7.949 132 HB2 ARG 16 2HB ARG 16 3.503 -2.053 -6.841 133 HB3 ARG 16 1HB ARG 16 4.774 -1.267 -7.770 134 HG2 ARG 16 2HG ARG 16 1.884 -0.419 -7.577 135 HG3 ARG 16 1HG ARG 16 3.280 0.402 -6.882 136 HD2 ARG 16 2HD ARG 16 3.810 0.112 -9.652 137 HD3 ARG 16 1HD ARG 16 2.141 0.663 -9.512 138 HH11 ARG 16 1HH1 ARG 16 4.563 1.163 -10.867 139 HH12 ARG 16 2HH1 ARG 16 5.432 2.610 -11.235 140 HH21 ARG 16 1HH2 ARG 16 4.361 4.289 -8.436 141 HH22 ARG 16 2HH2 ARG 16 5.346 4.349 -9.858 142 H GLN 17 H GLN 17 2.975 -4.613 -7.769 143 HA GLN 17 HA GLN 17 5.492 -5.879 -8.035 144 HB2 GLN 17 2HB GLN 17 2.719 -6.836 -7.396 145 HB3 GLN 17 1HB GLN 17 4.002 -8.007 -7.655 146 HG2 GLN 17 2HG GLN 17 4.217 -5.778 -5.648 147 HG3 GLN 17 1HG GLN 17 3.530 -7.354 -5.263 148 HE21 GLN 17 1HE2 GLN 17 5.120 -7.912 -3.809 149 HE22 GLN 17 2HE2 GLN 17 6.742 -8.253 -4.274 150 H ASN 18 H ASN 18 2.579 -5.987 -10.031 151 HA ASN 18 HA ASN 18 3.536 -8.069 -11.747 152 HB2 ASN 18 2HB ASN 18 1.194 -6.172 -11.965 153 HB3 ASN 18 1HB ASN 18 1.520 -7.450 -13.132 154 HD21 ASN 18 1HD2 ASN 18 -0.493 -8.391 -12.603 155 HD22 ASN 18 2HD2 ASN 18 -0.704 -9.300 -11.150 156 H MET 19 H MET 19 3.878 -4.596 -11.756 157 HA MET 19 HA MET 19 4.702 -4.519 -14.540 158 HB2 MET 19 2HB MET 19 5.199 -2.167 -14.190 159 HB3 MET 19 1HB MET 19 3.609 -2.549 -13.552 160 HG2 MET 19 2HG MET 19 4.391 -2.474 -11.319 161 HG3 MET 19 1HG MET 19 6.072 -2.405 -11.837 162 HE1 MET 19 3HE MET 19 6.125 -0.315 -14.159 163 HE2 MET 19 1HE MET 19 7.257 -0.342 -12.804 164 HE3 MET 19 2HE MET 19 6.453 1.161 -13.251 165 H ASP 20 H ASP 20 6.266 -4.743 -11.398 166 HA ASP 20 HA ASP 20 8.755 -5.465 -12.704 167 HB2 ASP 20 2HB ASP 20 8.792 -2.949 -12.403 168 HB3 ASP 20 1HB ASP 20 8.776 -3.231 -10.663 169 H ASP 21 H ASP 21 9.337 -7.295 -11.744 170 HA ASP 21 HA ASP 21 8.175 -8.191 -9.312 171 HB2 ASP 21 2HB ASP 21 10.488 -9.355 -10.873 172 HB3 ASP 21 1HB ASP 21 9.557 -10.191 -9.632 173 H GLY 22 H GLY 22 10.919 -6.235 -9.832 174 HA2 GLY 22 2HA GLY 22 12.018 -6.974 -7.172 175 HA3 GLY 22 1HA GLY 22 13.003 -6.398 -8.505 176 H ALA 23 H ALA 23 10.002 -4.784 -8.203 177 HA ALA 23 HA ALA 23 11.380 -2.455 -7.030 178 HB1 ALA 23 3HB ALA 23 10.554 -2.117 -9.295 179 HB2 ALA 23 1HB ALA 23 9.697 -1.080 -8.151 180 HB3 ALA 23 2HB ALA 23 8.921 -2.538 -8.776 181 HA PRO 24 HA PRO 24 8.486 -2.989 -3.551 182 HB2 PRO 24 2HB PRO 24 9.744 -1.237 -1.907 183 HB3 PRO 24 1HB PRO 24 10.308 -2.898 -2.135 184 HG2 PRO 24 2HG PRO 24 11.307 -0.367 -3.403 185 HG3 PRO 24 1HG PRO 24 12.235 -1.717 -2.721 186 HD2 PRO 24 2HD PRO 24 11.808 -1.429 -5.390 187 HD3 PRO 24 1HD PRO 24 11.970 -3.017 -4.613 188 H VAL 25 H VAL 25 6.713 -1.765 -3.017 189 HA VAL 25 HA VAL 25 6.175 0.548 -4.651 190 HB VAL 25 HB VAL 25 4.382 -0.527 -2.472 191 HG11 VAL 25 1HG1 VAL 25 2.589 0.284 -3.952 192 HG12 VAL 25 2HG1 VAL 25 3.802 0.880 -5.085 193 HG13 VAL 25 3HG1 VAL 25 3.683 1.579 -3.468 194 HG21 VAL 25 3HG2 VAL 25 5.060 -2.441 -3.795 195 HG22 VAL 25 1HG2 VAL 25 4.665 -1.589 -5.289 196 HG23 VAL 25 2HG2 VAL 25 3.384 -2.029 -4.157 197 H LYS 26 H LYS 26 5.407 2.612 -3.807 198 HA LYS 26 HA LYS 26 6.810 3.351 -1.317 199 HB2 LYS 26 2HB LYS 26 5.987 5.200 -3.575 200 HB3 LYS 26 1HB LYS 26 7.011 5.595 -2.204 201 HG2 LYS 26 2HG LYS 26 8.476 5.354 -4.017 202 HG3 LYS 26 1HG LYS 26 8.639 3.856 -3.100 203 HD2 LYS 26 2HD LYS 26 7.155 2.716 -4.684 204 HD3 LYS 26 1HD LYS 26 6.941 4.216 -5.583 205 HE2 LYS 26 2HE LYS 26 8.559 2.736 -6.673 206 HE3 LYS 26 1HE LYS 26 9.315 4.237 -6.143 207 HZ1 LYS 26 3HZ LYS 26 9.435 1.669 -4.663 208 HZ2 LYS 26 1HZ LYS 26 10.235 3.099 -4.253 209 HZ3 LYS 26 2HZ LYS 26 10.662 2.264 -5.658 210 H THR 27 H THR 27 5.719 4.403 0.318 211 HA THR 27 HA THR 27 2.984 4.110 0.652 212 HB THR 27 HB THR 27 4.718 6.232 1.956 213 HG1 THR 27 HG1 THR 27 5.631 4.511 2.807 214 HG21 THR 27 3HG2 THR 27 2.100 5.003 2.856 215 HG22 THR 27 1HG2 THR 27 2.325 6.657 2.285 216 HG23 THR 27 2HG2 THR 27 3.078 6.135 3.791 217 H ARG 28 H ARG 28 4.698 7.110 -0.265 218 HA ARG 28 HA ARG 28 2.381 8.670 -0.675 219 HE ARG 28 HE ARG 28 5.369 11.509 1.904 220 HB2 ARG 28 2HB ARG 28 5.182 8.956 -1.782 221 HB3 ARG 28 1HB ARG 28 3.922 10.170 -1.982 222 HG2 ARG 28 2HG ARG 28 3.769 10.400 0.461 223 HG3 ARG 28 1HG ARG 28 5.056 9.209 0.643 224 HD2 ARG 28 2HD ARG 28 6.629 10.656 -0.459 225 HD3 ARG 28 1HD ARG 28 5.354 11.809 -0.858 226 HH11 ARG 28 1HH1 ARG 28 7.534 12.654 -0.521 227 HH12 ARG 28 2HH1 ARG 28 8.217 13.854 0.519 228 HH21 ARG 28 1HH2 ARG 28 6.262 13.030 3.226 229 HH22 ARG 28 2HH2 ARG 28 7.513 14.060 2.618 230 H ASP 29 H ASP 29 4.088 6.460 -2.796 231 HA ASP 29 HA ASP 29 2.952 7.259 -5.253 232 HB2 ASP 29 2HB ASP 29 4.901 5.828 -5.207 233 HB3 ASP 29 1HB ASP 29 4.020 4.579 -4.331 234 H ILE 30 H ILE 30 2.015 4.601 -3.046 235 HA ILE 30 HA ILE 30 -0.318 3.789 -4.340 236 HB ILE 30 HB ILE 30 0.159 3.855 -1.345 237 HG12 ILE 30 2HG1 ILE 30 0.745 1.657 -3.352 238 HG13 ILE 30 1HG1 ILE 30 1.954 2.694 -2.606 239 HG21 ILE 30 1HG2 ILE 30 -1.725 2.160 -2.997 240 HG22 ILE 30 2HG2 ILE 30 -2.186 3.467 -1.905 241 HG23 ILE 30 3HG2 ILE 30 -1.450 2.001 -1.262 242 HD11 ILE 30 3HD1 ILE 30 1.870 0.517 -1.549 243 HD12 ILE 30 1HD1 ILE 30 0.167 0.751 -1.160 244 HD13 ILE 30 2HD1 ILE 30 1.392 1.783 -0.420 245 H ALA 31 H ALA 31 0.133 6.324 -1.893 246 HA ALA 31 HA ALA 31 -2.525 7.124 -1.573 247 HB1 ALA 31 3HB ALA 31 -0.707 7.850 -0.107 248 HB2 ALA 31 1HB ALA 31 -1.613 9.230 -0.731 249 HB3 ALA 31 2HB ALA 31 -0.037 8.831 -1.414 250 H ASP 32 H ASP 32 -0.170 8.021 -4.055 251 HA ASP 32 HA ASP 32 -1.803 10.051 -5.248 252 HB2 ASP 32 2HB ASP 32 0.657 10.012 -5.479 253 HB3 ASP 32 1HB ASP 32 0.541 8.525 -6.417 254 H ALA 33 H ALA 33 -1.049 6.674 -6.118 255 HA ALA 33 HA ALA 33 -2.673 6.555 -8.424 256 HB1 ALA 33 3HB ALA 33 -0.882 4.941 -7.929 257 HB2 ALA 33 1HB ALA 33 -2.416 4.143 -8.286 258 HB3 ALA 33 2HB ALA 33 -1.856 4.276 -6.617 259 H ALA 34 H ALA 34 -3.443 6.149 -5.031 260 HA ALA 34 HA ALA 34 -6.151 5.210 -5.627 261 HB1 ALA 34 3HB ALA 34 -4.895 4.172 -3.783 262 HB2 ALA 34 1HB ALA 34 -6.394 4.920 -3.229 263 HB3 ALA 34 2HB ALA 34 -4.849 5.727 -2.952 264 H GLY 35 H GLY 35 -4.513 8.156 -4.747 265 HA2 GLY 35 2HA GLY 35 -5.338 10.326 -4.666 266 HA3 GLY 35 1HA GLY 35 -6.953 9.698 -4.958 267 H LEU 36 H LEU 36 -4.863 8.604 -2.357 268 HA LEU 36 HA LEU 36 -6.750 9.760 -0.396 269 HG LEU 36 HG LEU 36 -7.085 6.893 -1.665 270 HB2 LEU 36 2HB LEU 36 -5.125 7.217 -0.195 271 HB3 LEU 36 1HB LEU 36 -6.173 7.849 1.061 272 HD11 LEU 36 1HD1 LEU 36 -7.373 5.614 1.057 273 HD12 LEU 36 2HD1 LEU 36 -6.343 5.048 -0.259 274 HD13 LEU 36 3HD1 LEU 36 -8.097 5.029 -0.442 275 HD21 LEU 36 3HD2 LEU 36 -8.507 8.684 -0.809 276 HD22 LEU 36 1HD2 LEU 36 -8.690 7.824 0.722 277 HD23 LEU 36 2HD2 LEU 36 -9.353 7.136 -0.762 278 H SER 37 H SER 37 -5.722 9.957 1.864 279 HA SER 37 HA SER 37 -3.290 11.534 1.560 280 HG SER 37 HG SER 37 -3.908 13.167 4.563 281 HB2 SER 37 2HB SER 37 -5.136 12.499 2.847 282 HB3 SER 37 1HB SER 37 -5.071 11.146 3.979 283 H ILE 38 H ILE 38 -1.451 11.315 2.960 284 HA ILE 38 HA ILE 38 -0.393 8.732 2.816 285 HB ILE 38 HB ILE 38 0.645 11.024 4.496 286 HG12 ILE 38 2HG1 ILE 38 0.342 11.713 2.174 287 HG13 ILE 38 1HG1 ILE 38 2.058 11.539 2.527 288 HG21 ILE 38 1HG2 ILE 38 1.702 8.924 5.107 289 HG22 ILE 38 2HG2 ILE 38 2.842 9.934 4.214 290 HG23 ILE 38 3HG2 ILE 38 2.050 8.576 3.410 291 HD11 ILE 38 3HD1 ILE 38 1.516 10.662 0.338 292 HD12 ILE 38 1HD1 ILE 38 0.344 9.552 1.050 293 HD13 ILE 38 2HD1 ILE 38 2.064 9.369 1.405 294 H TYR 39 H TYR 39 -1.490 10.510 5.727 295 HA TYR 39 HA TYR 39 -0.629 8.650 7.615 296 HD1 TYR 39 HD1 TYR 39 -2.924 12.070 6.508 297 HD2 TYR 39 HD2 TYR 39 -4.442 9.204 9.269 298 HE1 TYR 39 HE1 TYR 39 -5.206 12.873 6.084 299 HE2 TYR 39 HE2 TYR 39 -6.729 10.000 8.844 300 HH TYR 39 HH TYR 39 -7.526 12.046 6.255 301 HB2 TYR 39 2HB TYR 39 -2.075 9.709 9.203 302 HB3 TYR 39 1HB TYR 39 -1.441 10.954 8.141 303 H GLN 40 H GLN 40 -3.641 8.718 5.776 304 HA GLN 40 HA GLN 40 -4.841 6.539 7.214 305 HB2 GLN 40 2HB GLN 40 -6.173 8.287 6.087 306 HB3 GLN 40 1HB GLN 40 -5.568 7.739 4.529 307 HG2 GLN 40 2HG GLN 40 -6.704 5.639 4.753 308 HG3 GLN 40 1HG GLN 40 -7.169 6.012 6.414 309 HE21 GLN 40 1HE2 GLN 40 -8.797 7.529 6.778 310 HE22 GLN 40 2HE2 GLN 40 -9.899 8.001 5.536 311 H VAL 41 H VAL 41 -3.315 6.877 4.014 312 HA VAL 41 HA VAL 41 -3.583 4.258 3.110 313 HB VAL 41 HB VAL 41 -1.314 6.198 2.602 314 HG11 VAL 41 1HG1 VAL 41 -0.853 4.861 0.582 315 HG12 VAL 41 2HG1 VAL 41 -2.046 3.671 1.105 316 HG13 VAL 41 3HG1 VAL 41 -0.586 3.941 2.063 317 HG21 VAL 41 3HG2 VAL 41 -2.515 6.683 0.514 318 HG22 VAL 41 1HG2 VAL 41 -3.501 7.051 1.928 319 HG23 VAL 41 2HG2 VAL 41 -3.804 5.582 1.001 320 H ARG 42 H ARG 42 -0.891 5.651 5.029 321 HA ARG 42 HA ARG 42 0.594 3.246 5.142 322 HE ARG 42 HE ARG 42 2.570 4.574 8.680 323 HB2 ARG 42 2HB ARG 42 1.925 4.280 6.881 324 HB3 ARG 42 1HB ARG 42 1.609 5.437 5.597 325 HG2 ARG 42 2HG ARG 42 0.110 6.670 6.908 326 HG3 ARG 42 1HG ARG 42 -0.089 5.357 8.072 327 HD2 ARG 42 2HD ARG 42 2.459 6.923 7.642 328 HD3 ARG 42 1HD ARG 42 1.297 7.210 8.938 329 HH11 ARG 42 1HH1 ARG 42 2.127 7.487 10.462 330 HH12 ARG 42 2HH1 ARG 42 2.797 6.826 11.910 331 HH21 ARG 42 1HH2 ARG 42 3.423 3.742 10.551 332 HH22 ARG 42 2HH2 ARG 42 3.534 4.741 11.955 333 H LEU 43 H LEU 43 -2.055 4.437 7.156 334 HA LEU 43 HA LEU 43 -1.766 2.675 9.323 335 HG LEU 43 HG LEU 43 -2.754 5.466 9.351 336 HB2 LEU 43 2HB LEU 43 -4.211 3.916 8.074 337 HB3 LEU 43 1HB LEU 43 -4.319 2.880 9.483 338 HD11 LEU 43 1HD1 LEU 43 -4.499 6.388 10.781 339 HD12 LEU 43 2HD1 LEU 43 -5.393 4.871 10.688 340 HD13 LEU 43 3HD1 LEU 43 -5.169 5.851 9.240 341 HD21 LEU 43 3HD2 LEU 43 -2.541 5.209 11.775 342 HD22 LEU 43 1HD2 LEU 43 -1.784 3.864 10.918 343 HD23 LEU 43 2HD2 LEU 43 -3.359 3.647 11.686 344 H TYR 44 H TYR 44 -3.616 2.268 6.295 345 HA TYR 44 HA TYR 44 -4.412 -0.399 6.757 346 HD1 TYR 44 HD1 TYR 44 -6.783 -0.710 5.765 347 HD2 TYR 44 HD2 TYR 44 -5.297 2.955 4.187 348 HE1 TYR 44 HE1 TYR 44 -9.002 0.307 6.052 349 HE2 TYR 44 HE2 TYR 44 -7.513 3.981 4.471 350 HH TYR 44 HH TYR 44 -9.981 2.572 6.307 351 HB2 TYR 44 2HB TYR 44 -3.918 1.065 4.150 352 HB3 TYR 44 1HB TYR 44 -4.655 -0.531 4.253 353 H LEU 45 H LEU 45 -1.627 0.834 4.885 354 HA LEU 45 HA LEU 45 -0.524 -1.595 4.090 355 HG LEU 45 HG LEU 45 -0.780 1.258 2.963 356 HB2 LEU 45 2HB LEU 45 0.905 0.977 4.784 357 HB3 LEU 45 1HB LEU 45 1.613 -0.349 3.882 358 HD11 LEU 45 1HD1 LEU 45 0.764 2.286 1.366 359 HD12 LEU 45 2HD1 LEU 45 2.112 1.432 2.118 360 HD13 LEU 45 3HD1 LEU 45 1.216 2.645 3.032 361 HD21 LEU 45 3HD2 LEU 45 0.930 -0.761 1.503 362 HD22 LEU 45 1HD2 LEU 45 -0.414 0.155 0.821 363 HD23 LEU 45 2HD2 LEU 45 -0.711 -1.035 2.087 364 H GLU 46 H GLU 46 0.228 0.282 7.008 365 HA GLU 46 HA GLU 46 2.306 -1.382 7.933 366 HB2 GLU 46 2HB GLU 46 1.944 0.987 8.583 367 HB3 GLU 46 1HB GLU 46 0.551 0.491 9.530 368 HG2 GLU 46 2HG GLU 46 1.937 -0.763 11.032 369 HG3 GLU 46 1HG GLU 46 3.357 -0.489 10.019 370 H GLN 47 H GLN 47 -1.167 -1.304 8.755 371 HA GLN 47 HA GLN 47 -1.010 -3.400 10.683 372 HB2 GLN 47 2HB GLN 47 -3.372 -2.390 9.074 373 HB3 GLN 47 1HB GLN 47 -3.494 -3.549 10.392 374 HG2 GLN 47 2HG GLN 47 -2.499 -0.710 10.617 375 HG3 GLN 47 1HG GLN 47 -4.080 -1.302 11.124 376 HE21 GLN 47 1HE2 GLN 47 -1.978 -0.009 12.676 377 HE22 GLN 47 2HE2 GLN 47 -1.590 -1.098 13.957 378 H LEU 48 H LEU 48 -1.769 -3.365 7.199 379 HA LEU 48 HA LEU 48 -2.275 -6.108 6.885 380 HG LEU 48 HG LEU 48 -3.479 -3.688 5.501 381 HB2 LEU 48 2HB LEU 48 -1.107 -4.098 4.958 382 HB3 LEU 48 1HB LEU 48 -1.497 -5.745 4.498 383 HD11 LEU 48 1HD1 LEU 48 -4.335 -3.707 3.209 384 HD12 LEU 48 2HD1 LEU 48 -3.040 -4.805 2.729 385 HD13 LEU 48 3HD1 LEU 48 -2.655 -3.169 3.264 386 HD21 LEU 48 3HD2 LEU 48 -4.102 -5.975 6.134 387 HD22 LEU 48 1HD2 LEU 48 -3.941 -6.485 4.453 388 HD23 LEU 48 2HD2 LEU 48 -5.188 -5.324 4.908 389 H HIS 49 H HIS 49 0.784 -4.356 7.095 390 HA HIS 49 HA HIS 49 2.470 -6.547 6.471 391 HD1 HIS 49 HD1 HIS 49 4.553 -5.112 9.963 392 HD2 HIS 49 HD2 HIS 49 5.640 -6.032 6.067 393 HE1 HIS 49 HE1 HIS 49 6.812 -6.185 10.132 394 HE2 HIS 49 HE2 HIS 49 7.352 -6.909 7.785 395 HB2 HIS 49 2HB HIS 49 3.414 -4.319 6.518 396 HB3 HIS 49 1HB HIS 49 2.974 -4.118 8.212 397 H ASP 50 H ASP 50 1.224 -5.326 9.565 398 HA ASP 50 HA ASP 50 2.624 -7.073 11.245 399 HB2 ASP 50 2HB ASP 50 1.380 -4.960 11.882 400 HB3 ASP 50 1HB ASP 50 -0.105 -5.900 11.812 401 H VAL 51 H VAL 51 -0.428 -7.521 9.526 402 HA VAL 51 HA VAL 51 -0.944 -10.060 10.861 403 HB VAL 51 HB VAL 51 -2.995 -10.166 9.518 404 HG11 VAL 51 1HG1 VAL 51 -3.042 -8.970 11.640 405 HG12 VAL 51 2HG1 VAL 51 -4.119 -8.199 10.476 406 HG13 VAL 51 3HG1 VAL 51 -2.549 -7.482 10.835 407 HG21 VAL 51 3HG2 VAL 51 -2.159 -9.108 7.472 408 HG22 VAL 51 1HG2 VAL 51 -2.060 -7.558 8.305 409 HG23 VAL 51 2HG2 VAL 51 -3.629 -8.319 8.040 410 H GLY 52 H GLY 52 1.085 -9.238 8.387 411 HA2 GLY 52 2HA GLY 52 2.439 -10.797 7.268 412 HA3 GLY 52 1HA GLY 52 1.250 -12.041 7.593 413 H VAL 53 H VAL 53 0.024 -9.153 6.147 414 HA VAL 53 HA VAL 53 -0.397 -10.534 3.611 415 HB VAL 53 HB VAL 53 -1.320 -7.810 4.574 416 HG11 VAL 53 1HG1 VAL 53 -1.059 -7.820 2.135 417 HG12 VAL 53 2HG1 VAL 53 -2.758 -7.747 2.596 418 HG13 VAL 53 3HG1 VAL 53 -2.065 -9.266 2.028 419 HG21 VAL 53 3HG2 VAL 53 -3.536 -8.865 4.692 420 HG22 VAL 53 1HG2 VAL 53 -2.375 -9.675 5.744 421 HG23 VAL 53 2HG2 VAL 53 -2.828 -10.404 4.204 422 H LEU 54 H LEU 54 1.160 -7.536 4.747 423 HA LEU 54 HA LEU 54 2.649 -7.393 2.192 424 HG LEU 54 HG LEU 54 -0.027 -5.793 2.831 425 HB2 LEU 54 2HB LEU 54 1.983 -5.149 4.109 426 HB3 LEU 54 1HB LEU 54 2.880 -4.980 2.613 427 HD11 LEU 54 1HD1 LEU 54 1.220 -3.194 1.929 428 HD12 LEU 54 2HD1 LEU 54 0.326 -3.456 3.428 429 HD13 LEU 54 3HD1 LEU 54 -0.498 -3.595 1.876 430 HD21 LEU 54 3HD2 LEU 54 1.033 -6.799 0.888 431 HD22 LEU 54 1HD2 LEU 54 1.677 -5.230 0.401 432 HD23 LEU 54 2HD2 LEU 54 -0.064 -5.511 0.394 433 H GLU 55 H GLU 55 4.875 -6.869 2.258 434 HA GLU 55 HA GLU 55 6.173 -7.147 4.892 435 HB2 GLU 55 2HB GLU 55 6.791 -8.863 3.210 436 HB3 GLU 55 1HB GLU 55 7.357 -7.593 2.134 437 HG2 GLU 55 2HG GLU 55 9.229 -8.637 3.250 438 HG3 GLU 55 1HG GLU 55 9.064 -6.962 3.781 439 H LYS 56 H LYS 56 7.913 -5.704 5.433 440 HA LYS 56 HA LYS 56 7.626 -3.094 4.114 441 HB2 LYS 56 2HB LYS 56 8.668 -2.162 6.185 442 HB3 LYS 56 1HB LYS 56 7.145 -2.987 6.455 443 HG2 LYS 56 2HG LYS 56 8.374 -3.761 8.231 444 HG3 LYS 56 1HG LYS 56 8.675 -5.033 7.049 445 HD2 LYS 56 2HD LYS 56 10.748 -4.418 8.150 446 HD3 LYS 56 1HD LYS 56 10.813 -3.939 6.453 447 HE2 LYS 56 2HE LYS 56 10.171 -1.629 7.145 448 HE3 LYS 56 1HE LYS 56 10.275 -2.151 8.826 449 HZ1 LYS 56 3HZ LYS 56 12.602 -2.680 8.480 450 HZ2 LYS 56 1HZ LYS 56 12.296 -1.060 8.113 451 HZ3 LYS 56 2HZ LYS 56 12.501 -2.179 6.869 452 H VAL 57 H VAL 57 9.311 -2.000 3.216 453 HA VAL 57 HA VAL 57 11.902 -3.415 3.067 454 HB VAL 57 HB VAL 57 10.534 -1.839 0.867 455 HG11 VAL 57 1HG1 VAL 57 12.396 -2.610 -0.556 456 HG12 VAL 57 2HG1 VAL 57 13.183 -3.288 0.870 457 HG13 VAL 57 3HG1 VAL 57 12.934 -1.547 0.744 458 HG21 VAL 57 3HG2 VAL 57 9.491 -4.012 1.212 459 HG22 VAL 57 1HG2 VAL 57 11.064 -4.805 1.116 460 HG23 VAL 57 2HG2 VAL 57 10.394 -3.998 -0.301 461 H ASN 58 H ASN 58 13.684 -2.270 3.547 462 HA ASN 58 HA ASN 58 13.786 0.608 3.170 463 HB2 ASN 58 2HB ASN 58 12.825 0.338 5.462 464 HB3 ASN 58 1HB ASN 58 14.263 -0.564 5.931 465 HD21 ASN 58 1HD2 ASN 58 12.999 2.554 5.055 466 HD22 ASN 58 2HD2 ASN 58 14.340 3.475 5.631 467 H ALA 59 H ALA 59 15.522 0.567 1.859 468 HA ALA 59 HA ALA 59 17.517 -1.384 1.814 469 HB1 ALA 59 3HB ALA 59 18.674 0.039 0.229 470 HB2 ALA 59 1HB ALA 59 17.694 1.422 0.720 471 HB3 ALA 59 2HB ALA 59 16.940 0.051 -0.092 472 H GLY 60 H GLY 60 17.386 1.577 3.693 473 HA2 GLY 60 2HA GLY 60 19.493 0.825 5.392 474 HA3 GLY 60 1HA GLY 60 20.141 1.919 4.181 475 H LYS 61 H LYS 61 20.244 2.572 6.849 476 HA LYS 61 HA LYS 61 18.092 4.102 7.823 477 HB2 LYS 61 2HB LYS 61 21.056 4.381 8.384 478 HB3 LYS 61 1HB LYS 61 19.780 5.139 9.328 479 HG2 LYS 61 2HG LYS 61 20.200 2.168 8.997 480 HG3 LYS 61 1HG LYS 61 20.644 3.124 10.413 481 HD2 LYS 61 2HD LYS 61 18.287 3.687 10.777 482 HD3 LYS 61 1HD LYS 61 17.836 2.761 9.344 483 HE2 LYS 61 2HE LYS 61 18.683 0.715 10.396 484 HE3 LYS 61 1HE LYS 61 19.147 1.638 11.826 485 HZ1 LYS 61 3HZ LYS 61 17.024 0.494 12.102 486 HZ2 LYS 61 1HZ LYS 61 16.373 1.357 10.802 487 HZ3 LYS 61 2HZ LYS 61 16.839 2.170 12.211 488 H GLY 62 H GLY 62 17.211 5.543 6.435 489 HA2 GLY 62 2HA GLY 62 17.720 8.090 6.116 490 HA3 GLY 62 1HA GLY 62 18.931 7.457 5.013 491 H VAL 63 H VAL 63 17.195 5.228 4.134 492 HA VAL 63 HA VAL 63 15.735 6.669 2.092 493 HB VAL 63 HB VAL 63 15.302 4.521 1.077 494 HG11 VAL 63 1HG1 VAL 63 18.125 4.651 2.146 495 HG12 VAL 63 2HG1 VAL 63 17.509 5.472 0.713 496 HG13 VAL 63 3HG1 VAL 63 17.597 3.711 0.750 497 HG21 VAL 63 3HG2 VAL 63 16.437 3.274 3.584 498 HG22 VAL 63 1HG2 VAL 63 15.998 2.406 2.113 499 HG23 VAL 63 2HG2 VAL 63 14.754 3.218 3.063 500 HA PRO 64 HA PRO 64 11.687 6.641 3.863 501 HB2 PRO 64 2HB PRO 64 10.073 6.105 1.727 502 HB3 PRO 64 1HB PRO 64 10.905 7.648 1.952 503 HG2 PRO 64 2HG PRO 64 11.709 5.300 0.260 504 HG3 PRO 64 1HG PRO 64 11.708 7.026 -0.154 505 HD2 PRO 64 2HD PRO 64 13.969 5.755 0.567 506 HD3 PRO 64 1HD PRO 64 13.663 7.442 1.026 507 H GLY 65 H GLY 65 9.727 5.374 4.298 508 HA2 GLY 65 2HA GLY 65 10.280 2.560 4.642 509 HA3 GLY 65 1HA GLY 65 8.835 3.416 5.160 510 H LEU 66 H LEU 66 10.287 1.500 2.690 511 HA LEU 66 HA LEU 66 8.089 1.848 0.812 512 HG LEU 66 HG LEU 66 11.262 2.315 0.676 513 HB2 LEU 66 2HB LEU 66 10.470 -0.009 0.674 514 HB3 LEU 66 1HB LEU 66 9.366 0.360 -0.639 515 HD11 LEU 66 1HD1 LEU 66 11.346 1.041 -2.059 516 HD12 LEU 66 2HD1 LEU 66 12.433 0.701 -0.713 517 HD13 LEU 66 3HD1 LEU 66 12.440 2.294 -1.468 518 HD21 LEU 66 3HD2 LEU 66 9.229 3.435 -0.059 519 HD22 LEU 66 1HD2 LEU 66 9.384 2.707 -1.660 520 HD23 LEU 66 2HD2 LEU 66 10.587 3.869 -1.096 521 H TRP 67 H TRP 67 7.036 -0.136 -0.123 522 HA TRP 67 HA TRP 67 6.612 -2.239 1.904 523 HD1 TRP 67 HD1 TRP 67 4.628 1.567 1.210 524 HE1 TRP 67 HE1 TRP 67 4.373 2.630 3.535 525 HE3 TRP 67 HE3 TRP 67 4.636 -2.686 4.059 526 HZ2 TRP 67 HZ2 TRP 67 4.194 1.785 6.221 527 HZ3 TRP 67 HZ3 TRP 67 4.426 -2.465 6.502 528 HH2 TRP 67 HH2 TRP 67 4.211 -0.274 7.559 529 HB2 TRP 67 2HB TRP 67 4.414 -0.888 0.310 530 HB3 TRP 67 1HB TRP 67 4.201 -2.181 1.485 531 H ARG 68 H ARG 68 5.859 -4.267 1.082 532 HA ARG 68 HA ARG 68 5.515 -4.737 -1.723 533 HE ARG 68 HE ARG 68 9.507 -8.812 -2.850 534 HB2 ARG 68 2HB ARG 68 7.911 -4.515 -1.801 535 HB3 ARG 68 1HB ARG 68 8.112 -5.559 -0.400 536 HG2 ARG 68 2HG ARG 68 7.378 -7.477 -1.673 537 HG3 ARG 68 1HG ARG 68 7.028 -6.455 -3.069 538 HD2 ARG 68 2HD ARG 68 9.356 -5.940 -3.358 539 HD3 ARG 68 1HD ARG 68 9.769 -6.731 -1.836 540 HH11 ARG 68 1HH1 ARG 68 8.833 -6.268 -5.082 541 HH12 ARG 68 2HH1 ARG 68 8.890 -7.314 -6.454 542 HH21 ARG 68 1HH2 ARG 68 9.592 -10.137 -4.634 543 HH22 ARG 68 2HH2 ARG 68 9.301 -9.472 -6.207 544 H LEU 69 H LEU 69 3.955 -6.275 -1.727 545 HA LEU 69 HA LEU 69 3.370 -7.898 0.509 546 HG LEU 69 HG LEU 69 3.011 -7.380 -3.159 547 HB2 LEU 69 2HB LEU 69 1.779 -9.075 -0.993 548 HB3 LEU 69 1HB LEU 69 1.602 -7.335 -0.985 549 HD11 LEU 69 1HD1 LEU 69 2.756 -9.442 -4.485 550 HD12 LEU 69 2HD1 LEU 69 2.117 -10.260 -3.061 551 HD13 LEU 69 3HD1 LEU 69 3.778 -9.674 -3.068 552 HD21 LEU 69 3HD2 LEU 69 0.996 -7.756 -4.507 553 HD22 LEU 69 1HD2 LEU 69 0.659 -6.773 -3.082 554 HD23 LEU 69 2HD2 LEU 69 0.196 -8.475 -3.107 555 H LEU 70 H LEU 70 3.406 -10.228 0.675 556 HA LEU 70 HA LEU 70 5.647 -11.466 -0.796 557 HG LEU 70 HG LEU 70 3.966 -12.573 2.363 558 HB2 LEU 70 2HB LEU 70 6.290 -12.677 1.215 559 HB3 LEU 70 1HB LEU 70 6.352 -10.947 1.485 560 HD11 LEU 70 1HD1 LEU 70 5.004 -12.750 4.584 561 HD12 LEU 70 2HD1 LEU 70 6.500 -12.076 3.937 562 HD13 LEU 70 3HD1 LEU 70 5.912 -13.637 3.361 563 HD21 LEU 70 3HD2 LEU 70 5.136 -9.945 3.305 564 HD22 LEU 70 1HD2 LEU 70 3.743 -10.757 4.020 565 HD23 LEU 70 2HD2 LEU 70 3.659 -10.158 2.367 566 H GLU 71 H GLU 71 2.541 -11.519 -0.846 567 HA GLU 71 HA GLU 71 2.328 -14.310 -1.550 568 HB2 GLU 71 2HB GLU 71 1.860 -14.486 0.825 569 HB3 GLU 71 1HB GLU 71 0.691 -13.177 0.734 570 HG2 GLU 71 2HG GLU 71 -0.812 -14.517 -0.564 571 HG3 GLU 71 1HG GLU 71 0.390 -15.795 -0.724 Start of MODEL 10 1 HA MET 1 HA MET 1 -21.222 -3.379 -0.093 2 H1 MET 1 1H MET 1 -22.785 -3.873 1.652 3 H2 MET 1 2H MET 1 -23.596 -3.646 0.187 4 H3 MET 1 3H MET 1 -23.625 -2.431 1.363 5 HB2 MET 1 2HB MET 1 -21.258 -1.221 -1.234 6 HB3 MET 1 1HB MET 1 -22.756 -2.095 -1.522 7 HG2 MET 1 2HG MET 1 -22.386 0.150 0.453 8 HG3 MET 1 1HG MET 1 -23.151 0.278 -1.132 9 HE1 MET 1 3HE MET 1 -26.153 0.632 1.381 10 HE2 MET 1 1HE MET 1 -25.266 1.394 0.059 11 HE3 MET 1 2HE MET 1 -24.506 1.206 1.640 12 H SER 2 H SER 2 -19.360 -1.907 0.194 13 HA SER 2 HA SER 2 -19.279 -0.136 2.464 14 HG SER 2 HG SER 2 -17.145 -3.536 3.232 15 HB2 SER 2 2HB SER 2 -17.593 -1.402 3.759 16 HB3 SER 2 1HB SER 2 -19.109 -2.292 3.644 17 H GLU 3 H GLU 3 -16.993 0.692 2.820 18 HA GLU 3 HA GLU 3 -15.896 1.467 0.316 19 HB2 GLU 3 2HB GLU 3 -15.854 2.904 2.333 20 HB3 GLU 3 1HB GLU 3 -14.712 1.800 3.084 21 HG2 GLU 3 2HG GLU 3 -13.636 3.811 2.157 22 HG3 GLU 3 1HG GLU 3 -13.038 2.322 1.427 23 H SER 4 H SER 4 -14.974 -0.077 -0.916 24 HA SER 4 HA SER 4 -13.379 -2.222 0.192 25 HG SER 4 HG SER 4 -12.291 -2.876 -2.789 26 HB2 SER 4 2HB SER 4 -14.881 -2.626 -1.713 27 HB3 SER 4 1HB SER 4 -13.961 -1.485 -2.692 28 H ILE 5 H ILE 5 -12.370 0.603 0.391 29 HA ILE 5 HA ILE 5 -10.305 1.156 -1.384 30 HB ILE 5 HB ILE 5 -11.132 2.783 0.257 31 HG12 ILE 5 2HG1 ILE 5 -8.931 3.748 0.918 32 HG13 ILE 5 1HG1 ILE 5 -8.155 2.233 0.472 33 HG21 ILE 5 1HG2 ILE 5 -10.390 2.703 2.594 34 HG22 ILE 5 2HG2 ILE 5 -9.641 1.133 2.302 35 HG23 ILE 5 3HG2 ILE 5 -11.394 1.312 2.180 36 HD11 ILE 5 3HD1 ILE 5 -8.853 2.555 -1.843 37 HD12 ILE 5 1HD1 ILE 5 -7.899 3.918 -1.260 38 HD13 ILE 5 2HD1 ILE 5 -9.651 4.064 -1.393 39 H VAL 6 H VAL 6 -10.260 -0.946 1.467 40 HA VAL 6 HA VAL 6 -7.494 -1.318 1.713 41 HB VAL 6 HB VAL 6 -9.666 -3.357 2.272 42 HG11 VAL 6 1HG1 VAL 6 -8.053 -4.310 3.874 43 HG12 VAL 6 2HG1 VAL 6 -6.839 -3.152 3.329 44 HG13 VAL 6 3HG1 VAL 6 -7.453 -4.373 2.217 45 HG21 VAL 6 3HG2 VAL 6 -10.112 -1.269 3.439 46 HG22 VAL 6 1HG2 VAL 6 -8.463 -1.238 4.065 47 HG23 VAL 6 2HG2 VAL 6 -9.582 -2.498 4.588 48 H THR 7 H THR 7 -9.853 -3.292 -0.119 49 HA THR 7 HA THR 7 -8.009 -5.065 -1.292 50 HB THR 7 HB THR 7 -10.646 -4.109 -2.450 51 HG1 THR 7 HG1 THR 7 -10.970 -6.482 -1.467 52 HG21 THR 7 3HG2 THR 7 -10.643 -6.235 -3.684 53 HG22 THR 7 1HG2 THR 7 -9.044 -6.609 -3.043 54 HG23 THR 7 2HG2 THR 7 -9.260 -5.240 -4.132 55 H LYS 8 H LYS 8 -9.205 -1.904 -2.379 56 HA LYS 8 HA LYS 8 -7.973 -1.811 -4.892 57 HB2 LYS 8 2HB LYS 8 -9.630 -0.162 -4.250 58 HB3 LYS 8 1HB LYS 8 -8.604 0.419 -2.945 59 HG2 LYS 8 2HG LYS 8 -6.975 1.230 -4.576 60 HG3 LYS 8 1HG LYS 8 -7.990 0.637 -5.893 61 HD2 LYS 8 2HD LYS 8 -9.021 2.609 -3.863 62 HD3 LYS 8 1HD LYS 8 -8.123 3.135 -5.285 63 HE2 LYS 8 2HE LYS 8 -10.493 3.285 -5.723 64 HE3 LYS 8 1HE LYS 8 -9.790 2.021 -6.726 65 HZ1 LYS 8 3HZ LYS 8 -11.931 1.418 -5.709 66 HZ2 LYS 8 1HZ LYS 8 -11.226 1.527 -4.177 67 HZ3 LYS 8 2HZ LYS 8 -10.684 0.361 -5.277 68 H ILE 9 H ILE 9 -6.753 -0.680 -1.735 69 HA ILE 9 HA ILE 9 -4.265 0.272 -2.557 70 HB ILE 9 HB ILE 9 -5.081 -0.988 0.068 71 HG12 ILE 9 2HG1 ILE 9 -4.733 1.911 -0.760 72 HG13 ILE 9 1HG1 ILE 9 -6.272 1.083 -0.549 73 HG21 ILE 9 1HG2 ILE 9 -3.079 0.065 1.051 74 HG22 ILE 9 2HG2 ILE 9 -2.547 0.533 -0.565 75 HG23 ILE 9 3HG2 ILE 9 -2.666 -1.173 -0.135 76 HD11 ILE 9 3HD1 ILE 9 -5.748 2.496 1.352 77 HD12 ILE 9 1HD1 ILE 9 -4.248 1.609 1.617 78 HD13 ILE 9 2HD1 ILE 9 -5.802 0.799 1.822 79 H ILE 10 H ILE 10 -5.100 -3.014 -1.399 80 HA ILE 10 HA ILE 10 -2.573 -4.191 -1.742 81 HB ILE 10 HB ILE 10 -5.281 -5.512 -2.081 82 HG12 ILE 10 2HG1 ILE 10 -3.514 -5.258 0.374 83 HG13 ILE 10 1HG1 ILE 10 -5.014 -4.381 0.104 84 HG21 ILE 10 1HG2 ILE 10 -2.583 -6.742 -1.482 85 HG22 ILE 10 2HG2 ILE 10 -3.456 -6.864 -3.010 86 HG23 ILE 10 3HG2 ILE 10 -4.119 -7.608 -1.554 87 HD11 ILE 10 3HD1 ILE 10 -4.735 -7.363 0.408 88 HD12 ILE 10 1HD1 ILE 10 -6.243 -6.498 0.114 89 HD13 ILE 10 2HD1 ILE 10 -5.355 -6.238 1.617 90 H SER 11 H SER 11 -5.266 -3.851 -4.021 91 HA SER 11 HA SER 11 -4.179 -5.246 -6.205 92 HG SER 11 HG SER 11 -6.273 -4.933 -8.099 93 HB2 SER 11 2HB SER 11 -6.552 -4.553 -6.032 94 HB3 SER 11 1HB SER 11 -6.070 -2.872 -6.248 95 H ILE 12 H ILE 12 -3.863 -1.831 -5.270 96 HA ILE 12 HA ILE 12 -2.404 -0.919 -7.496 97 HB ILE 12 HB ILE 12 -2.260 0.011 -4.614 98 HG12 ILE 12 2HG1 ILE 12 -3.808 1.209 -6.929 99 HG13 ILE 12 1HG1 ILE 12 -4.515 0.094 -5.765 100 HG21 ILE 12 1HG2 ILE 12 -0.296 0.768 -5.826 101 HG22 ILE 12 2HG2 ILE 12 -1.382 2.129 -5.538 102 HG23 ILE 12 3HG2 ILE 12 -1.307 1.384 -7.137 103 HD11 ILE 12 3HD1 ILE 12 -3.361 2.807 -5.152 104 HD12 ILE 12 1HD1 ILE 12 -4.028 1.685 -3.965 105 HD13 ILE 12 2HD1 ILE 12 -5.070 2.376 -5.208 106 H VAL 13 H VAL 13 -1.219 -2.108 -4.342 107 HA VAL 13 HA VAL 13 1.526 -1.997 -4.875 108 HB VAL 13 HB VAL 13 0.094 -4.020 -3.127 109 HG11 VAL 13 1HG1 VAL 13 2.950 -3.037 -3.049 110 HG12 VAL 13 2HG1 VAL 13 2.419 -4.632 -3.584 111 HG13 VAL 13 3HG1 VAL 13 2.210 -4.151 -1.899 112 HG21 VAL 13 3HG2 VAL 13 -0.521 -1.715 -2.545 113 HG22 VAL 13 1HG2 VAL 13 1.186 -1.289 -2.409 114 HG23 VAL 13 2HG2 VAL 13 0.472 -2.450 -1.289 115 H GLN 14 H GLN 14 -0.706 -4.758 -5.228 116 HA GLN 14 HA GLN 14 1.034 -6.646 -6.283 117 HB2 GLN 14 2HB GLN 14 -1.275 -7.119 -5.575 118 HB3 GLN 14 1HB GLN 14 -1.891 -6.224 -6.956 119 HG2 GLN 14 2HG GLN 14 -0.947 -7.860 -8.481 120 HG3 GLN 14 1HG GLN 14 -0.215 -8.726 -7.130 121 HE21 GLN 14 1HE2 GLN 14 -1.338 -10.626 -7.630 122 HE22 GLN 14 2HE2 GLN 14 -3.030 -10.797 -7.321 123 H GLU 15 H GLU 15 -0.928 -4.248 -8.036 124 HA GLU 15 HA GLU 15 -0.170 -4.895 -10.643 125 HB2 GLU 15 2HB GLU 15 -2.003 -3.387 -10.216 126 HB3 GLU 15 1HB GLU 15 -0.933 -2.237 -9.424 127 HG2 GLU 15 2HG GLU 15 0.206 -1.816 -11.548 128 HG3 GLU 15 1HG GLU 15 -0.851 -2.978 -12.348 129 H ARG 16 H ARG 16 1.265 -2.413 -8.499 130 HA ARG 16 HA ARG 16 3.279 -1.644 -10.315 131 HE ARG 16 HE ARG 16 1.810 2.706 -9.400 132 HB2 ARG 16 2HB ARG 16 3.198 -1.402 -7.303 133 HB3 ARG 16 1HB ARG 16 4.388 -0.613 -8.330 134 HG2 ARG 16 2HG ARG 16 1.409 -0.124 -8.284 135 HG3 ARG 16 1HG ARG 16 2.684 0.979 -7.762 136 HD2 ARG 16 2HD ARG 16 3.526 1.028 -10.105 137 HD3 ARG 16 1HD ARG 16 2.158 0.028 -10.585 138 HH11 ARG 16 1HH1 ARG 16 1.071 0.383 -11.842 139 HH12 ARG 16 2HH1 ARG 16 -0.082 1.409 -12.615 140 HH21 ARG 16 1HH2 ARG 16 0.360 4.009 -10.422 141 HH22 ARG 16 2HH2 ARG 16 -0.486 3.430 -11.818 142 H GLN 17 H GLN 17 3.148 -4.313 -8.035 143 HA GLN 17 HA GLN 17 5.955 -4.919 -8.335 144 HB2 GLN 17 2HB GLN 17 3.686 -6.490 -7.110 145 HB3 GLN 17 1HB GLN 17 5.352 -7.064 -7.167 146 HG2 GLN 17 2HG GLN 17 6.036 -5.012 -5.933 147 HG3 GLN 17 1HG GLN 17 4.330 -4.603 -5.762 148 HE21 GLN 17 1HE2 GLN 17 5.599 -7.873 -5.580 149 HE22 GLN 17 2HE2 GLN 17 5.260 -8.095 -3.902 150 H ASN 18 H ASN 18 2.986 -5.897 -9.970 151 HA ASN 18 HA ASN 18 4.134 -7.960 -11.532 152 HB2 ASN 18 2HB ASN 18 1.882 -6.042 -12.206 153 HB3 ASN 18 1HB ASN 18 2.311 -7.449 -13.174 154 HD21 ASN 18 1HD2 ASN 18 -0.176 -6.836 -11.799 155 HD22 ASN 18 2HD2 ASN 18 -0.457 -8.162 -10.727 156 H MET 19 H MET 19 4.324 -4.494 -11.670 157 HA MET 19 HA MET 19 5.649 -4.372 -14.226 158 HB2 MET 19 2HB MET 19 5.581 -2.311 -12.006 159 HB3 MET 19 1HB MET 19 6.088 -2.029 -13.666 160 HG2 MET 19 2HG MET 19 3.316 -2.793 -12.768 161 HG3 MET 19 1HG MET 19 3.841 -1.190 -13.277 162 HE1 MET 19 3HE MET 19 4.627 -1.795 -17.089 163 HE2 MET 19 1HE MET 19 5.771 -1.927 -15.755 164 HE3 MET 19 2HE MET 19 4.598 -0.610 -15.783 165 H ASP 20 H ASP 20 6.828 -3.772 -10.885 166 HA ASP 20 HA ASP 20 9.589 -4.050 -11.818 167 HB2 ASP 20 2HB ASP 20 8.486 -3.163 -9.141 168 HB3 ASP 20 1HB ASP 20 10.189 -3.160 -9.584 169 H ASP 21 H ASP 21 7.620 -5.343 -9.126 170 HA ASP 21 HA ASP 21 7.692 -7.245 -7.907 171 HB2 ASP 21 2HB ASP 21 7.704 -8.429 -10.067 172 HB3 ASP 21 1HB ASP 21 9.462 -8.334 -10.110 173 H GLY 22 H GLY 22 11.021 -7.208 -9.255 174 HA2 GLY 22 2HA GLY 22 12.308 -7.857 -6.849 175 HA3 GLY 22 1HA GLY 22 13.069 -7.053 -8.214 176 H ALA 23 H ALA 23 11.408 -4.708 -8.156 177 HA ALA 23 HA ALA 23 12.562 -3.346 -5.831 178 HB1 ALA 23 3HB ALA 23 12.987 -2.395 -8.052 179 HB2 ALA 23 1HB ALA 23 12.079 -1.278 -7.034 180 HB3 ALA 23 2HB ALA 23 11.254 -2.189 -8.297 181 HA PRO 24 HA PRO 24 8.569 -3.437 -3.815 182 HB2 PRO 24 2HB PRO 24 9.101 -1.652 -1.823 183 HB3 PRO 24 1HB PRO 24 9.712 -3.310 -1.826 184 HG2 PRO 24 2HG PRO 24 11.108 -0.780 -2.639 185 HG3 PRO 24 1HG PRO 24 11.715 -2.126 -1.656 186 HD2 PRO 24 2HD PRO 24 12.333 -1.862 -4.275 187 HD3 PRO 24 1HD PRO 24 12.139 -3.449 -3.503 188 H VAL 25 H VAL 25 6.780 -1.992 -3.244 189 HA VAL 25 HA VAL 25 6.502 0.179 -5.159 190 HB VAL 25 HB VAL 25 4.481 -0.829 -3.137 191 HG11 VAL 25 1HG1 VAL 25 2.823 0.200 -4.632 192 HG12 VAL 25 2HG1 VAL 25 4.126 0.809 -5.653 193 HG13 VAL 25 3HG1 VAL 25 3.960 1.390 -3.995 194 HG21 VAL 25 3HG2 VAL 25 5.162 -2.660 -4.591 195 HG22 VAL 25 1HG2 VAL 25 4.878 -1.661 -6.019 196 HG23 VAL 25 2HG2 VAL 25 3.524 -2.142 -4.992 197 H LYS 26 H LYS 26 6.043 2.348 -4.611 198 HA LYS 26 HA LYS 26 7.280 3.170 -2.101 199 HB2 LYS 26 2HB LYS 26 6.322 4.999 -4.311 200 HB3 LYS 26 1HB LYS 26 7.482 5.355 -3.043 201 HG2 LYS 26 2HG LYS 26 8.824 5.095 -4.910 202 HG3 LYS 26 1HG LYS 26 8.925 3.507 -4.147 203 HD2 LYS 26 2HD LYS 26 7.412 2.554 -5.721 204 HD3 LYS 26 1HD LYS 26 6.936 4.140 -6.329 205 HE2 LYS 26 2HE LYS 26 9.252 4.447 -7.184 206 HE3 LYS 26 1HE LYS 26 9.621 2.799 -6.674 207 HZ1 LYS 26 3HZ LYS 26 7.503 3.540 -8.614 208 HZ2 LYS 26 1HZ LYS 26 7.949 1.970 -8.175 209 HZ3 LYS 26 2HZ LYS 26 9.031 2.944 -9.032 210 H THR 27 H THR 27 6.253 4.286 -0.484 211 HA THR 27 HA THR 27 3.544 4.040 -0.009 212 HB THR 27 HB THR 27 5.447 6.141 1.062 213 HG1 THR 27 HG1 THR 27 6.100 4.321 2.001 214 HG21 THR 27 3HG2 THR 27 3.150 6.952 1.313 215 HG22 THR 27 1HG2 THR 27 3.824 6.489 2.876 216 HG23 THR 27 2HG2 THR 27 2.681 5.424 2.059 217 H ARG 28 H ARG 28 5.202 6.706 -1.663 218 HA ARG 28 HA ARG 28 2.988 8.450 -1.847 219 HE ARG 28 HE ARG 28 5.769 10.981 0.259 220 HB2 ARG 28 2HB ARG 28 5.552 8.190 -3.394 221 HB3 ARG 28 1HB ARG 28 4.312 9.307 -3.939 222 HG2 ARG 28 2HG ARG 28 5.933 10.488 -2.607 223 HG3 ARG 28 1HG ARG 28 4.394 10.440 -1.747 224 HD2 ARG 28 2HD ARG 28 5.237 8.565 -0.389 225 HD3 ARG 28 1HD ARG 28 6.781 8.661 -1.232 226 HH11 ARG 28 1HH1 ARG 28 8.194 8.593 -0.264 227 HH12 ARG 28 2HH1 ARG 28 9.281 9.292 0.886 228 HH21 ARG 28 1HH2 ARG 28 7.154 11.865 1.718 229 HH22 ARG 28 2HH2 ARG 28 8.697 11.129 2.001 230 H ASP 29 H ASP 29 4.216 6.033 -4.192 231 HA ASP 29 HA ASP 29 2.366 6.353 -6.220 232 HB2 ASP 29 2HB ASP 29 3.629 3.804 -5.178 233 HB3 ASP 29 1HB ASP 29 2.724 3.902 -6.686 234 H ILE 30 H ILE 30 2.090 4.194 -3.403 235 HA ILE 30 HA ILE 30 -0.450 3.151 -3.931 236 HB ILE 30 HB ILE 30 0.780 3.642 -1.208 237 HG12 ILE 30 2HG1 ILE 30 1.000 1.207 -3.005 238 HG13 ILE 30 1HG1 ILE 30 2.281 2.388 -2.749 239 HG21 ILE 30 1HG2 ILE 30 -1.590 3.091 -1.085 240 HG22 ILE 30 2HG2 ILE 30 -0.617 1.748 -0.491 241 HG23 ILE 30 3HG2 ILE 30 -1.335 1.670 -2.099 242 HD11 ILE 30 3HD1 ILE 30 2.642 0.386 -1.427 243 HD12 ILE 30 1HD1 ILE 30 1.079 0.604 -0.643 244 HD13 ILE 30 2HD1 ILE 30 2.366 1.781 -0.384 245 H ALA 31 H ALA 31 0.412 5.873 -1.772 246 HA ALA 31 HA ALA 31 -2.207 6.530 -0.985 247 HB1 ALA 31 3HB ALA 31 -0.186 7.287 0.188 248 HB2 ALA 31 1HB ALA 31 -1.267 8.627 -0.197 249 HB3 ALA 31 2HB ALA 31 0.188 8.361 -1.160 250 H ASP 32 H ASP 32 -0.210 7.851 -3.605 251 HA ASP 32 HA ASP 32 -2.013 9.837 -4.468 252 HB2 ASP 32 2HB ASP 32 0.376 9.838 -5.041 253 HB3 ASP 32 1HB ASP 32 0.156 8.385 -6.010 254 H ALA 33 H ALA 33 -1.597 6.446 -5.477 255 HA ALA 33 HA ALA 33 -3.522 6.576 -7.595 256 HB1 ALA 33 3HB ALA 33 -1.734 4.883 -7.527 257 HB2 ALA 33 1HB ALA 33 -3.335 4.153 -7.674 258 HB3 ALA 33 2HB ALA 33 -2.499 4.145 -6.118 259 H ALA 34 H ALA 34 -3.662 5.615 -4.192 260 HA ALA 34 HA ALA 34 -6.365 4.706 -4.228 261 HB1 ALA 34 3HB ALA 34 -6.203 4.748 -1.790 262 HB2 ALA 34 1HB ALA 34 -4.702 5.670 -1.893 263 HB3 ALA 34 2HB ALA 34 -4.764 4.015 -2.500 264 H GLY 35 H GLY 35 -4.854 7.845 -3.647 265 HA2 GLY 35 2HA GLY 35 -5.862 9.940 -3.889 266 HA3 GLY 35 1HA GLY 35 -7.434 9.164 -3.954 267 H LEU 36 H LEU 36 -5.259 8.408 -1.340 268 HA LEU 36 HA LEU 36 -7.014 9.917 0.504 269 HG LEU 36 HG LEU 36 -7.497 6.853 -0.248 270 HB2 LEU 36 2HB LEU 36 -5.459 7.370 0.995 271 HB3 LEU 36 1HB LEU 36 -6.387 8.226 2.210 272 HD11 LEU 36 1HD1 LEU 36 -6.782 5.307 1.496 273 HD12 LEU 36 2HD1 LEU 36 -8.542 5.344 1.377 274 HD13 LEU 36 3HD1 LEU 36 -7.726 6.194 2.692 275 HD21 LEU 36 3HD2 LEU 36 -9.706 7.406 0.679 276 HD22 LEU 36 1HD2 LEU 36 -8.793 8.854 0.258 277 HD23 LEU 36 2HD2 LEU 36 -8.932 8.358 1.947 278 H SER 37 H SER 37 -5.906 10.381 2.669 279 HA SER 37 HA SER 37 -3.556 11.950 2.224 280 HG SER 37 HG SER 37 -5.137 13.739 3.999 281 HB2 SER 37 2HB SER 37 -4.898 11.157 4.827 282 HB3 SER 37 1HB SER 37 -3.661 12.403 4.654 283 H ILE 38 H ILE 38 -1.449 11.662 3.002 284 HA ILE 38 HA ILE 38 -0.317 9.175 2.596 285 HB ILE 38 HB ILE 38 0.826 11.429 4.264 286 HG12 ILE 38 2HG1 ILE 38 0.190 12.143 1.988 287 HG13 ILE 38 1HG1 ILE 38 1.936 12.146 2.196 288 HG21 ILE 38 1HG2 ILE 38 2.040 9.351 4.648 289 HG22 ILE 38 2HG2 ILE 38 3.024 10.471 3.708 290 HG23 ILE 38 3HG2 ILE 38 2.226 9.118 2.909 291 HD11 ILE 38 3HD1 ILE 38 1.284 11.284 0.021 292 HD12 ILE 38 1HD1 ILE 38 0.339 10.011 0.795 293 HD13 ILE 38 2HD1 ILE 38 2.095 10.044 0.977 294 H TYR 39 H TYR 39 -0.672 10.738 5.811 295 HA TYR 39 HA TYR 39 0.234 8.623 7.354 296 HD1 TYR 39 HD2 TYR 39 -3.498 9.720 9.153 297 HD2 TYR 39 HD1 TYR 39 -1.140 12.542 7.003 298 HE1 TYR 39 HE2 TYR 39 -5.479 11.145 8.855 299 HE2 TYR 39 HE1 TYR 39 -3.115 13.973 6.708 300 HH TYR 39 HH TYR 39 -5.516 13.826 6.718 301 HB2 TYR 39 2HB TYR 39 -1.047 9.638 9.235 302 HB3 TYR 39 1HB TYR 39 -0.080 10.798 8.337 303 H GLN 40 H GLN 40 -3.056 9.168 6.145 304 HA GLN 40 HA GLN 40 -4.315 7.097 7.610 305 HB2 GLN 40 2HB GLN 40 -5.528 8.965 6.510 306 HB3 GLN 40 1HB GLN 40 -5.119 8.285 4.941 307 HG2 GLN 40 2HG GLN 40 -7.396 7.736 5.531 308 HG3 GLN 40 1HG GLN 40 -6.414 6.274 5.471 309 HE21 GLN 40 1HE2 GLN 40 -7.908 5.182 6.788 310 HE22 GLN 40 2HE2 GLN 40 -8.000 5.474 8.486 311 H VAL 41 H VAL 41 -3.030 7.202 4.286 312 HA VAL 41 HA VAL 41 -3.598 4.556 3.560 313 HB VAL 41 HB VAL 41 -1.249 6.249 2.663 314 HG11 VAL 41 1HG1 VAL 41 -1.216 4.829 0.668 315 HG12 VAL 41 2HG1 VAL 41 -2.521 3.845 1.334 316 HG13 VAL 41 3HG1 VAL 41 -0.943 3.872 2.125 317 HG21 VAL 41 3HG2 VAL 41 -3.381 7.371 2.286 318 HG22 VAL 41 1HG2 VAL 41 -4.014 5.936 1.478 319 HG23 VAL 41 2HG2 VAL 41 -2.683 6.842 0.753 320 H ARG 42 H ARG 42 -0.713 5.922 5.150 321 HA ARG 42 HA ARG 42 0.805 3.575 5.284 322 HE ARG 42 HE ARG 42 3.837 4.753 7.062 323 HB2 ARG 42 2HB ARG 42 0.741 5.934 7.173 324 HB3 ARG 42 1HB ARG 42 1.934 4.646 7.256 325 HG2 ARG 42 2HG ARG 42 2.522 5.227 4.853 326 HG3 ARG 42 1HG ARG 42 1.546 6.683 5.076 327 HD2 ARG 42 2HD ARG 42 3.928 7.115 5.492 328 HD3 ARG 42 1HD ARG 42 2.960 7.362 6.948 329 HH11 ARG 42 1HH1 ARG 42 5.322 7.866 6.988 330 HH12 ARG 42 2HH1 ARG 42 6.727 7.324 7.833 331 HH21 ARG 42 1HH2 ARG 42 5.597 4.085 8.150 332 HH22 ARG 42 2HH2 ARG 42 6.887 5.187 8.487 333 H LEU 43 H LEU 43 -1.809 4.706 7.379 334 HA LEU 43 HA LEU 43 -1.544 2.803 9.434 335 HG LEU 43 HG LEU 43 -2.565 5.777 9.238 336 HB2 LEU 43 2HB LEU 43 -4.065 4.057 8.317 337 HB3 LEU 43 1HB LEU 43 -3.975 3.163 9.823 338 HD11 LEU 43 1HD1 LEU 43 -4.969 6.067 9.504 339 HD12 LEU 43 2HD1 LEU 43 -4.106 6.721 10.894 340 HD13 LEU 43 3HD1 LEU 43 -4.926 5.165 11.019 341 HD21 LEU 43 3HD2 LEU 43 -1.959 5.746 11.619 342 HD22 LEU 43 1HD2 LEU 43 -1.247 4.392 10.743 343 HD23 LEU 43 2HD2 LEU 43 -2.654 4.134 11.773 344 H TYR 44 H TYR 44 -3.566 2.683 6.476 345 HA TYR 44 HA TYR 44 -4.470 0.041 6.745 346 HD1 TYR 44 HD1 TYR 44 -6.932 -0.133 5.391 347 HD2 TYR 44 HD2 TYR 44 -5.066 3.625 4.662 348 HE1 TYR 44 HE1 TYR 44 -9.092 0.997 5.703 349 HE2 TYR 44 HE2 TYR 44 -7.220 4.761 4.977 350 HH TYR 44 HH TYR 44 -9.572 4.302 4.896 351 HB2 TYR 44 2HB TYR 44 -3.879 1.624 4.230 352 HB3 TYR 44 1HB TYR 44 -4.696 0.067 4.231 353 H LEU 45 H LEU 45 -1.533 1.263 5.168 354 HA LEU 45 HA LEU 45 -0.600 -1.152 4.098 355 HG LEU 45 HG LEU 45 -0.658 1.819 3.251 356 HB2 LEU 45 2HB LEU 45 0.959 1.256 5.041 357 HB3 LEU 45 1HB LEU 45 1.611 -0.022 4.032 358 HD11 LEU 45 1HD1 LEU 45 2.223 1.809 2.352 359 HD12 LEU 45 2HD1 LEU 45 1.461 3.016 3.389 360 HD13 LEU 45 3HD1 LEU 45 0.938 2.838 1.714 361 HD21 LEU 45 3HD2 LEU 45 0.838 -0.258 1.652 362 HD22 LEU 45 1HD2 LEU 45 -0.373 0.856 1.018 363 HD23 LEU 45 2HD2 LEU 45 -0.837 -0.368 2.198 364 H GLU 46 H GLU 46 0.158 0.371 7.245 365 HA GLU 46 HA GLU 46 1.947 -1.670 8.084 366 HB2 GLU 46 2HB GLU 46 1.928 0.610 9.062 367 HB3 GLU 46 1HB GLU 46 0.374 0.262 9.809 368 HG2 GLU 46 2HG GLU 46 1.352 -1.438 11.198 369 HG3 GLU 46 1HG GLU 46 2.896 -1.298 10.361 370 H GLN 47 H GLN 47 -1.549 -1.203 8.561 371 HA GLN 47 HA GLN 47 -2.023 -3.403 10.244 372 HB2 GLN 47 2HB GLN 47 -3.800 -2.234 8.081 373 HB3 GLN 47 1HB GLN 47 -4.335 -3.394 9.291 374 HG2 GLN 47 2HG GLN 47 -3.798 -1.778 11.063 375 HG3 GLN 47 1HG GLN 47 -3.298 -0.616 9.838 376 HE21 GLN 47 1HE2 GLN 47 -5.389 -0.369 11.827 377 HE22 GLN 47 2HE2 GLN 47 -6.858 -0.101 10.960 378 H LEU 48 H LEU 48 -1.960 -3.223 6.681 379 HA LEU 48 HA LEU 48 -2.440 -5.944 6.166 380 HG LEU 48 HG LEU 48 -3.294 -3.360 4.787 381 HB2 LEU 48 2HB LEU 48 -0.884 -3.901 4.573 382 HB3 LEU 48 1HB LEU 48 -1.306 -5.495 3.974 383 HD11 LEU 48 1HD1 LEU 48 -2.484 -4.334 2.047 384 HD12 LEU 48 2HD1 LEU 48 -2.125 -2.753 2.743 385 HD13 LEU 48 3HD1 LEU 48 -3.793 -3.201 2.395 386 HD21 LEU 48 3HD2 LEU 48 -4.971 -4.853 3.815 387 HD22 LEU 48 1HD2 LEU 48 -4.140 -5.624 5.167 388 HD23 LEU 48 2HD2 LEU 48 -3.724 -6.064 3.509 389 H HIS 49 H HIS 49 0.560 -4.240 6.939 390 HA HIS 49 HA HIS 49 2.281 -6.488 6.554 391 HD1 HIS 49 HD1 HIS 49 4.321 -4.599 10.038 392 HD2 HIS 49 HD2 HIS 49 5.270 -6.317 6.376 393 HE1 HIS 49 HE1 HIS 49 6.570 -5.661 10.354 394 HE2 HIS 49 HE2 HIS 49 7.183 -6.578 8.091 395 HB2 HIS 49 2HB HIS 49 3.186 -4.211 6.617 396 HB3 HIS 49 1HB HIS 49 2.648 -4.020 8.282 397 H ASP 50 H ASP 50 0.210 -5.440 9.146 398 HA ASP 50 HA ASP 50 1.442 -7.065 11.180 399 HB2 ASP 50 2HB ASP 50 0.136 -4.859 11.483 400 HB3 ASP 50 1HB ASP 50 -1.314 -5.850 11.350 401 H VAL 51 H VAL 51 -1.498 -7.305 9.183 402 HA VAL 51 HA VAL 51 -2.341 -9.786 10.377 403 HB VAL 51 HB VAL 51 -4.074 -9.843 8.650 404 HG11 VAL 51 1HG1 VAL 51 -4.451 -8.455 10.623 405 HG12 VAL 51 2HG1 VAL 51 -5.223 -7.752 9.205 406 HG13 VAL 51 3HG1 VAL 51 -3.711 -7.077 9.811 407 HG21 VAL 51 3HG2 VAL 51 -2.652 -7.450 7.467 408 HG22 VAL 51 1HG2 VAL 51 -4.228 -8.054 6.957 409 HG23 VAL 51 2HG2 VAL 51 -2.789 -9.050 6.738 410 H GLY 52 H GLY 52 -0.265 -8.917 7.720 411 HA2 GLY 52 2HA GLY 52 1.360 -10.570 6.994 412 HA3 GLY 52 1HA GLY 52 0.114 -11.795 7.144 413 H VAL 53 H VAL 53 0.804 -8.790 5.369 414 HA VAL 53 HA VAL 53 0.028 -10.111 2.861 415 HB VAL 53 HB VAL 53 -1.016 -7.376 3.678 416 HG11 VAL 53 1HG1 VAL 53 -1.402 -8.918 1.104 417 HG12 VAL 53 2HG1 VAL 53 -0.449 -7.448 1.307 418 HG13 VAL 53 3HG1 VAL 53 -2.199 -7.399 1.520 419 HG21 VAL 53 3HG2 VAL 53 -3.250 -8.394 3.527 420 HG22 VAL 53 1HG2 VAL 53 -2.260 -9.177 4.760 421 HG23 VAL 53 2HG2 VAL 53 -2.511 -9.965 3.202 422 H LEU 54 H LEU 54 1.107 -6.930 4.104 423 HA LEU 54 HA LEU 54 3.014 -6.730 1.863 424 HG LEU 54 HG LEU 54 0.193 -5.228 2.255 425 HB2 LEU 54 2HB LEU 54 2.044 -4.566 3.746 426 HB3 LEU 54 1HB LEU 54 3.083 -4.330 2.353 427 HD11 LEU 54 1HD1 LEU 54 1.472 -2.582 1.572 428 HD12 LEU 54 2HD1 LEU 54 0.411 -2.911 2.945 429 HD13 LEU 54 3HD1 LEU 54 -0.219 -3.011 1.300 430 HD21 LEU 54 3HD2 LEU 54 1.473 -6.155 0.409 431 HD22 LEU 54 1HD2 LEU 54 2.128 -4.560 0.037 432 HD23 LEU 54 2HD2 LEU 54 0.403 -4.877 -0.166 433 H GLU 55 H GLU 55 5.196 -6.361 2.206 434 HA GLU 55 HA GLU 55 6.144 -6.370 4.997 435 HB2 GLU 55 2HB GLU 55 6.999 -8.222 3.617 436 HB3 GLU 55 1HB GLU 55 7.656 -7.071 2.462 437 HG2 GLU 55 2HG GLU 55 9.370 -7.985 3.951 438 HG3 GLU 55 1HG GLU 55 9.210 -6.238 4.117 439 H LYS 56 H LYS 56 7.510 -4.793 5.735 440 HA LYS 56 HA LYS 56 7.558 -2.312 4.199 441 HB2 LYS 56 2HB LYS 56 8.529 -1.407 6.415 442 HB3 LYS 56 1HB LYS 56 6.845 -1.909 6.391 443 HG2 LYS 56 2HG LYS 56 7.225 -3.760 7.702 444 HG3 LYS 56 1HG LYS 56 8.914 -3.893 7.219 445 HD2 LYS 56 2HD LYS 56 7.830 -1.682 8.973 446 HD3 LYS 56 1HD LYS 56 8.560 -3.166 9.590 447 HE2 LYS 56 2HE LYS 56 9.891 -1.058 7.881 448 HE3 LYS 56 1HE LYS 56 10.230 -1.421 9.573 449 HZ1 LYS 56 3HZ LYS 56 10.764 -3.164 7.230 450 HZ2 LYS 56 1HZ LYS 56 10.919 -3.677 8.834 451 HZ3 LYS 56 2HZ LYS 56 11.903 -2.433 8.239 452 H VAL 57 H VAL 57 9.168 -2.585 2.668 453 HA VAL 57 HA VAL 57 11.829 -3.427 3.377 454 HB VAL 57 HB VAL 57 10.910 -2.065 0.830 455 HG11 VAL 57 1HG1 VAL 57 12.910 -3.071 -0.171 456 HG12 VAL 57 2HG1 VAL 57 13.368 -3.733 1.400 457 HG13 VAL 57 3HG1 VAL 57 13.334 -1.984 1.154 458 HG21 VAL 57 3HG2 VAL 57 11.135 -5.015 1.459 459 HG22 VAL 57 1HG2 VAL 57 10.749 -4.325 -0.120 460 HG23 VAL 57 2HG2 VAL 57 9.637 -4.112 1.234 461 H ASN 58 H ASN 58 12.406 -2.022 5.025 462 HA ASN 58 HA ASN 58 14.054 0.094 4.635 463 HB2 ASN 58 2HB ASN 58 12.001 1.250 3.645 464 HB3 ASN 58 1HB ASN 58 11.302 1.221 5.258 465 HD21 ASN 58 1HD2 ASN 58 11.240 3.402 5.584 466 HD22 ASN 58 2HD2 ASN 58 12.653 4.388 5.695 467 H ALA 59 H ALA 59 14.132 1.569 6.783 468 HA ALA 59 HA ALA 59 13.814 0.027 9.147 469 HB1 ALA 59 3HB ALA 59 15.382 1.903 9.010 470 HB2 ALA 59 1HB ALA 59 14.245 2.131 10.342 471 HB3 ALA 59 2HB ALA 59 14.034 3.027 8.835 472 H GLY 60 H GLY 60 12.432 1.525 11.011 473 HA2 GLY 60 2HA GLY 60 9.745 1.975 9.917 474 HA3 GLY 60 1HA GLY 60 9.928 0.678 11.083 475 H LYS 61 H LYS 61 8.349 1.847 12.311 476 HA LYS 61 HA LYS 61 7.821 2.908 14.247 477 HB2 LYS 61 2HB LYS 61 10.185 2.261 14.893 478 HB3 LYS 61 1HB LYS 61 10.683 3.873 14.401 479 HG2 LYS 61 2HG LYS 61 9.138 4.824 16.094 480 HG3 LYS 61 1HG LYS 61 8.761 3.184 16.626 481 HD2 LYS 61 2HD LYS 61 11.486 4.500 16.681 482 HD3 LYS 61 1HD LYS 61 10.444 4.213 18.073 483 HE2 LYS 61 2HE LYS 61 11.638 2.073 16.307 484 HE3 LYS 61 1HE LYS 61 12.246 2.544 17.891 485 HZ1 LYS 61 3HZ LYS 61 10.859 0.554 17.973 486 HZ2 LYS 61 1HZ LYS 61 9.541 1.430 17.377 487 HZ3 LYS 61 2HZ LYS 61 10.198 1.808 18.888 488 H GLY 62 H GLY 62 8.356 4.383 11.446 489 HA2 GLY 62 2HA GLY 62 6.836 6.582 11.734 490 HA3 GLY 62 1HA GLY 62 8.367 7.159 12.359 491 H VAL 63 H VAL 63 10.127 5.911 10.579 492 HA VAL 63 HA VAL 63 10.259 7.727 8.473 493 HB VAL 63 HB VAL 63 11.955 6.267 7.464 494 HG11 VAL 63 1HG1 VAL 63 12.161 6.394 10.474 495 HG12 VAL 63 2HG1 VAL 63 12.604 7.674 9.345 496 HG13 VAL 63 3HG1 VAL 63 13.508 6.162 9.359 497 HG21 VAL 63 3HG2 VAL 63 12.491 4.084 8.495 498 HG22 VAL 63 1HG2 VAL 63 10.885 4.108 7.765 499 HG23 VAL 63 2HG2 VAL 63 11.060 4.233 9.516 500 HA PRO 64 HA PRO 64 7.332 6.777 5.399 501 HB2 PRO 64 2HB PRO 64 8.865 6.662 3.068 502 HB3 PRO 64 1HB PRO 64 8.243 8.134 3.822 503 HG2 PRO 64 2HG PRO 64 10.953 6.880 4.064 504 HG3 PRO 64 1HG PRO 64 10.522 8.592 3.894 505 HD2 PRO 64 2HD PRO 64 11.216 7.608 6.268 506 HD3 PRO 64 1HD PRO 64 9.882 8.777 6.139 507 H GLY 65 H GLY 65 10.107 4.995 4.008 508 HA2 GLY 65 2HA GLY 65 10.433 2.694 3.871 509 HA3 GLY 65 1HA GLY 65 8.890 2.445 4.667 510 H LEU 66 H LEU 66 10.042 1.116 2.313 511 HA LEU 66 HA LEU 66 7.938 1.760 0.341 512 HG LEU 66 HG LEU 66 9.626 2.934 -1.040 513 HB2 LEU 66 2HB LEU 66 10.529 0.245 -0.014 514 HB3 LEU 66 1HB LEU 66 9.296 0.393 -1.250 515 HD11 LEU 66 1HD1 LEU 66 12.156 2.014 0.320 516 HD12 LEU 66 2HD1 LEU 66 10.864 2.972 1.043 517 HD13 LEU 66 3HD1 LEU 66 11.837 3.650 -0.259 518 HD21 LEU 66 3HD2 LEU 66 11.845 1.216 -2.145 519 HD22 LEU 66 1HD2 LEU 66 11.533 2.897 -2.576 520 HD23 LEU 66 2HD2 LEU 66 10.348 1.651 -2.970 521 H TRP 67 H TRP 67 6.419 0.222 -0.168 522 HA TRP 67 HA TRP 67 6.371 -2.083 1.659 523 HD1 TRP 67 HD1 TRP 67 4.722 1.712 0.995 524 HE1 TRP 67 HE1 TRP 67 4.609 2.872 3.284 525 HE3 TRP 67 HE3 TRP 67 4.175 -2.417 3.968 526 HZ2 TRP 67 HZ2 TRP 67 4.324 2.138 5.994 527 HZ3 TRP 67 HZ3 TRP 67 3.988 -2.097 6.403 528 HH2 TRP 67 HH2 TRP 67 4.060 0.136 7.395 529 HB2 TRP 67 2HB TRP 67 4.066 -0.771 0.198 530 HB3 TRP 67 1HB TRP 67 3.950 -2.014 1.444 531 H ARG 68 H ARG 68 6.245 -4.118 0.968 532 HA ARG 68 HA ARG 68 5.707 -4.705 -1.857 533 HE ARG 68 HE ARG 68 8.703 -8.143 -4.014 534 HB2 ARG 68 2HB ARG 68 8.113 -4.489 -1.762 535 HB3 ARG 68 1HB ARG 68 8.199 -5.525 -0.344 536 HG2 ARG 68 2HG ARG 68 7.509 -7.436 -1.644 537 HG3 ARG 68 1HG ARG 68 7.279 -6.423 -3.073 538 HD2 ARG 68 2HD ARG 68 9.700 -5.870 -3.012 539 HD3 ARG 68 1HD ARG 68 9.887 -6.978 -1.650 540 HH11 ARG 68 1HH1 ARG 68 11.662 -7.486 -2.364 541 HH12 ARG 68 2HH1 ARG 68 12.492 -8.792 -3.131 542 HH21 ARG 68 1HH2 ARG 68 9.785 -9.781 -4.993 543 HH22 ARG 68 2HH2 ARG 68 11.448 -10.068 -4.615 544 H LEU 69 H LEU 69 4.089 -6.161 -1.833 545 HA LEU 69 HA LEU 69 3.473 -7.752 0.433 546 HG LEU 69 HG LEU 69 2.979 -7.188 -3.215 547 HB2 LEU 69 2HB LEU 69 1.771 -8.835 -1.001 548 HB3 LEU 69 1HB LEU 69 1.671 -7.090 -0.976 549 HD11 LEU 69 1HD1 LEU 69 3.610 -9.544 -3.143 550 HD12 LEU 69 2HD1 LEU 69 2.596 -9.205 -4.544 551 HD13 LEU 69 3HD1 LEU 69 1.908 -10.012 -3.134 552 HD21 LEU 69 3HD2 LEU 69 0.881 -7.463 -4.467 553 HD22 LEU 69 1HD2 LEU 69 0.682 -6.447 -3.037 554 HD23 LEU 69 2HD2 LEU 69 0.113 -8.118 -3.020 555 H LEU 70 H LEU 70 3.439 -10.007 0.645 556 HA LEU 70 HA LEU 70 5.293 -11.532 -1.043 557 HG LEU 70 HG LEU 70 4.655 -11.963 2.651 558 HB2 LEU 70 2HB LEU 70 6.468 -12.430 0.902 559 HB3 LEU 70 1HB LEU 70 6.668 -10.693 0.782 560 HD11 LEU 70 1HD1 LEU 70 6.280 -11.658 4.446 561 HD12 LEU 70 2HD1 LEU 70 7.486 -11.110 3.280 562 HD13 LEU 70 3HD1 LEU 70 6.897 -12.773 3.226 563 HD21 LEU 70 3HD2 LEU 70 4.218 -9.632 2.183 564 HD22 LEU 70 1HD2 LEU 70 5.893 -9.214 2.526 565 HD23 LEU 70 2HD2 LEU 70 4.845 -9.791 3.820 566 H GLU 71 H GLU 71 5.135 -13.873 -0.691 567 HA GLU 71 HA GLU 71 2.376 -14.635 -0.049 568 HB2 GLU 71 2HB GLU 71 3.668 -15.248 -2.227 569 HB3 GLU 71 1HB GLU 71 4.455 -16.469 -1.240 570 HG2 GLU 71 2HG GLU 71 1.464 -16.260 -1.521 571 HG3 GLU 71 1HG GLU 71 2.465 -17.219 -2.605 Start of MODEL 11 1 HA MET 1 HA MET 1 -17.599 3.988 6.111 2 H1 MET 1 1H MET 1 -17.765 6.267 5.345 3 H2 MET 1 2H MET 1 -16.439 6.048 4.319 4 H3 MET 1 3H MET 1 -16.232 5.969 5.994 5 HB2 MET 1 2HB MET 1 -17.720 4.359 3.109 6 HB3 MET 1 1HB MET 1 -18.157 2.862 3.917 7 HG2 MET 1 2HG MET 1 -19.965 3.974 5.073 8 HG3 MET 1 1HG MET 1 -19.493 5.522 4.370 9 HE1 MET 1 3HE MET 1 -20.679 1.846 3.477 10 HE2 MET 1 1HE MET 1 -19.296 2.133 2.421 11 HE3 MET 1 2HE MET 1 -20.915 2.000 1.737 12 H SER 2 H SER 2 -16.779 1.780 5.533 13 HA SER 2 HA SER 2 -13.903 1.750 5.154 14 HG SER 2 HG SER 2 -15.435 -0.404 7.574 15 HB2 SER 2 2HB SER 2 -15.903 -0.512 5.493 16 HB3 SER 2 1HB SER 2 -14.155 -0.726 5.418 17 H GLU 3 H GLU 3 -16.707 0.367 3.435 18 HA GLU 3 HA GLU 3 -17.201 0.214 1.229 19 HB2 GLU 3 2HB GLU 3 -16.558 2.643 1.445 20 HB3 GLU 3 1HB GLU 3 -14.972 2.213 0.826 21 HG2 GLU 3 2HG GLU 3 -15.964 1.470 -1.266 22 HG3 GLU 3 1HG GLU 3 -17.575 1.841 -0.644 23 H SER 4 H SER 4 -14.899 -1.444 2.387 24 HA SER 4 HA SER 4 -13.565 -3.152 1.682 25 HG SER 4 HG SER 4 -16.481 -3.358 0.037 26 HB2 SER 4 2HB SER 4 -14.809 -2.618 -1.035 27 HB3 SER 4 1HB SER 4 -13.877 -4.053 -0.603 28 H ILE 5 H ILE 5 -12.705 -0.243 1.426 29 HA ILE 5 HA ILE 5 -11.063 0.202 -0.774 30 HB ILE 5 HB ILE 5 -11.628 1.930 0.897 31 HG12 ILE 5 2HG1 ILE 5 -9.409 3.052 0.975 32 HG13 ILE 5 1HG1 ILE 5 -8.647 1.544 0.482 33 HG21 ILE 5 1HG2 ILE 5 -11.344 0.580 2.921 34 HG22 ILE 5 2HG2 ILE 5 -10.434 2.087 3.010 35 HG23 ILE 5 3HG2 ILE 5 -9.597 0.571 2.672 36 HD11 ILE 5 3HD1 ILE 5 -8.895 3.102 -1.377 37 HD12 ILE 5 1HD1 ILE 5 -10.643 3.110 -1.144 38 HD13 ILE 5 2HD1 ILE 5 -9.824 1.628 -1.643 39 H VAL 6 H VAL 6 -10.492 -1.834 1.989 40 HA VAL 6 HA VAL 6 -7.735 -2.093 2.033 41 HB VAL 6 HB VAL 6 -9.776 -4.287 2.481 42 HG11 VAL 6 1HG1 VAL 6 -8.044 -5.313 3.913 43 HG12 VAL 6 2HG1 VAL 6 -6.900 -4.077 3.391 44 HG13 VAL 6 3HG1 VAL 6 -7.552 -5.226 2.222 45 HG21 VAL 6 3HG2 VAL 6 -10.223 -2.340 3.879 46 HG22 VAL 6 1HG2 VAL 6 -8.549 -2.328 4.433 47 HG23 VAL 6 2HG2 VAL 6 -9.608 -3.671 4.861 48 H THR 7 H THR 7 -10.045 -4.009 0.071 49 HA THR 7 HA THR 7 -8.220 -5.669 -1.227 50 HB THR 7 HB THR 7 -10.778 -4.540 -2.406 51 HG1 THR 7 HG1 THR 7 -11.443 -6.799 -1.673 52 HG21 THR 7 3HG2 THR 7 -9.222 -7.035 -3.128 53 HG22 THR 7 1HG2 THR 7 -9.349 -5.574 -4.112 54 HG23 THR 7 2HG2 THR 7 -10.781 -6.558 -3.805 55 H LYS 8 H LYS 8 -9.387 -2.451 -2.228 56 HA LYS 8 HA LYS 8 -8.050 -2.223 -4.656 57 HB2 LYS 8 2HB LYS 8 -9.748 -0.619 -3.945 58 HB3 LYS 8 1HB LYS 8 -8.714 -0.064 -2.634 59 HG2 LYS 8 2HG LYS 8 -8.729 1.501 -4.524 60 HG3 LYS 8 1HG LYS 8 -7.119 0.838 -4.231 61 HD2 LYS 8 2HD LYS 8 -7.516 -0.813 -6.041 62 HD3 LYS 8 1HD LYS 8 -9.068 -0.040 -6.371 63 HE2 LYS 8 2HE LYS 8 -7.931 2.030 -6.955 64 HE3 LYS 8 1HE LYS 8 -6.373 1.316 -6.538 65 HZ1 LYS 8 3HZ LYS 8 -8.171 0.455 -8.738 66 HZ2 LYS 8 1HZ LYS 8 -6.740 -0.331 -8.302 67 HZ3 LYS 8 2HZ LYS 8 -6.691 1.246 -8.900 68 H ILE 9 H ILE 9 -6.933 -1.205 -1.428 69 HA ILE 9 HA ILE 9 -4.467 -0.132 -2.184 70 HB ILE 9 HB ILE 9 -5.205 -1.502 0.412 71 HG12 ILE 9 2HG1 ILE 9 -5.282 1.420 -0.404 72 HG13 ILE 9 1HG1 ILE 9 -6.683 0.380 -0.175 73 HG21 ILE 9 1HG2 ILE 9 -3.378 -0.185 1.409 74 HG22 ILE 9 2HG2 ILE 9 -2.924 0.383 -0.198 75 HG23 ILE 9 3HG2 ILE 9 -2.787 -1.329 0.203 76 HD11 ILE 9 3HD1 ILE 9 -6.361 1.858 1.714 77 HD12 ILE 9 1HD1 ILE 9 -4.735 1.222 1.962 78 HD13 ILE 9 2HD1 ILE 9 -6.137 0.176 2.196 79 H ILE 10 H ILE 10 -5.288 -3.479 -1.277 80 HA ILE 10 HA ILE 10 -2.693 -4.563 -1.441 81 HB ILE 10 HB ILE 10 -5.320 -5.942 -2.045 82 HG12 ILE 10 2HG1 ILE 10 -3.770 -5.777 0.557 83 HG13 ILE 10 1HG1 ILE 10 -5.231 -4.865 0.197 84 HG21 ILE 10 1HG2 ILE 10 -2.622 -7.104 -1.309 85 HG22 ILE 10 2HG2 ILE 10 -3.433 -7.240 -2.871 86 HG23 ILE 10 3HG2 ILE 10 -4.124 -8.020 -1.450 87 HD11 ILE 10 3HD1 ILE 10 -5.001 -7.859 0.431 88 HD12 ILE 10 1HD1 ILE 10 -6.470 -6.983 -0.007 89 HD13 ILE 10 2HD1 ILE 10 -5.753 -6.760 1.589 90 H SER 11 H SER 11 -5.248 -4.311 -3.925 91 HA SER 11 HA SER 11 -3.837 -5.472 -6.065 92 HG SER 11 HG SER 11 -6.264 -6.098 -6.584 93 HB2 SER 11 2HB SER 11 -5.967 -3.314 -6.142 94 HB3 SER 11 1HB SER 11 -5.432 -4.260 -7.531 95 H ILE 12 H ILE 12 -3.751 -2.208 -4.767 96 HA ILE 12 HA ILE 12 -2.316 -0.994 -6.896 97 HB ILE 12 HB ILE 12 -2.464 -0.247 -3.973 98 HG12 ILE 12 2HG1 ILE 12 -3.891 0.924 -6.379 99 HG13 ILE 12 1HG1 ILE 12 -4.611 -0.218 -5.251 100 HG21 ILE 12 1HG2 ILE 12 -0.457 0.716 -4.934 101 HG22 ILE 12 2HG2 ILE 12 -1.660 1.979 -4.684 102 HG23 ILE 12 3HG2 ILE 12 -1.377 1.341 -6.305 103 HD11 ILE 12 3HD1 ILE 12 -3.638 2.548 -4.596 104 HD12 ILE 12 1HD1 ILE 12 -4.323 1.399 -3.446 105 HD13 ILE 12 2HD1 ILE 12 -5.315 2.029 -4.760 106 H VAL 13 H VAL 13 -1.242 -2.564 -3.882 107 HA VAL 13 HA VAL 13 1.512 -2.084 -4.160 108 HB VAL 13 HB VAL 13 0.167 -4.492 -2.903 109 HG11 VAL 13 1HG1 VAL 13 2.959 -3.387 -2.532 110 HG12 VAL 13 2HG1 VAL 13 2.534 -4.914 -3.305 111 HG13 VAL 13 3HG1 VAL 13 2.243 -4.688 -1.581 112 HG21 VAL 13 3HG2 VAL 13 1.034 -1.862 -1.686 113 HG22 VAL 13 1HG2 VAL 13 0.403 -3.247 -0.795 114 HG23 VAL 13 2HG2 VAL 13 -0.628 -2.396 -1.943 115 H GLN 14 H GLN 14 -0.497 -4.743 -5.399 116 HA GLN 14 HA GLN 14 1.557 -6.136 -6.757 117 HB2 GLN 14 2HB GLN 14 -0.667 -7.097 -6.327 118 HB3 GLN 14 1HB GLN 14 -1.394 -5.924 -7.415 119 HG2 GLN 14 2HG GLN 14 -0.187 -6.897 -9.304 120 HG3 GLN 14 1HG GLN 14 0.593 -8.048 -8.214 121 HE21 GLN 14 1HE2 GLN 14 -0.270 -9.847 -9.220 122 HE22 GLN 14 2HE2 GLN 14 -1.939 -10.262 -9.104 123 H GLU 15 H GLU 15 -0.711 -3.636 -7.833 124 HA GLU 15 HA GLU 15 -0.090 -3.446 -10.516 125 HB2 GLU 15 2HB GLU 15 -1.970 -2.306 -9.369 126 HB3 GLU 15 1HB GLU 15 -0.828 -1.194 -8.629 127 HG2 GLU 15 2HG GLU 15 -1.838 -0.069 -10.459 128 HG3 GLU 15 1HG GLU 15 -0.176 -0.434 -10.916 129 H ARG 16 H ARG 16 1.320 -1.456 -7.894 130 HA ARG 16 HA ARG 16 3.080 -0.070 -9.633 131 HE ARG 16 HE ARG 16 0.350 2.844 -8.966 132 HB2 ARG 16 2HB ARG 16 3.054 -0.322 -6.626 133 HB3 ARG 16 1HB ARG 16 4.161 0.729 -7.504 134 HG2 ARG 16 2HG ARG 16 1.155 0.906 -7.697 135 HG3 ARG 16 1HG ARG 16 2.141 1.876 -6.600 136 HD2 ARG 16 2HD ARG 16 3.244 2.962 -8.421 137 HD3 ARG 16 1HD ARG 16 2.559 1.834 -9.590 138 HH11 ARG 16 1HH1 ARG 16 3.268 4.681 -8.649 139 HH12 ARG 16 2HH1 ARG 16 2.454 6.184 -8.893 140 HH21 ARG 16 1HH2 ARG 16 -0.650 4.757 -9.279 141 HH22 ARG 16 2HH2 ARG 16 0.246 6.235 -9.218 142 H GLN 17 H GLN 17 3.617 -2.922 -7.528 143 HA GLN 17 HA GLN 17 6.420 -3.030 -8.174 144 HB2 GLN 17 2HB GLN 17 6.523 -5.066 -6.978 145 HB3 GLN 17 1HB GLN 17 5.350 -4.078 -6.119 146 HG2 GLN 17 2HG GLN 17 3.524 -5.314 -7.137 147 HG3 GLN 17 1HG GLN 17 4.670 -6.269 -8.076 148 HE21 GLN 17 1HE2 GLN 17 5.144 -5.317 -4.734 149 HE22 GLN 17 2HE2 GLN 17 5.038 -6.909 -4.084 150 H ASN 18 H ASN 18 3.519 -4.101 -9.716 151 HA ASN 18 HA ASN 18 4.708 -5.932 -11.558 152 HB2 ASN 18 2HB ASN 18 2.263 -5.821 -11.024 153 HB3 ASN 18 1HB ASN 18 2.181 -4.282 -11.868 154 HD21 ASN 18 1HD2 ASN 18 0.564 -5.315 -13.147 155 HD22 ASN 18 2HD2 ASN 18 1.018 -6.341 -14.457 156 H MET 19 H MET 19 4.387 -2.458 -11.371 157 HA MET 19 HA MET 19 5.533 -1.973 -13.975 158 HB2 MET 19 2HB MET 19 4.882 -0.261 -11.595 159 HB3 MET 19 1HB MET 19 5.944 0.371 -12.847 160 HG2 MET 19 2HG MET 19 3.134 -0.631 -13.256 161 HG3 MET 19 1HG MET 19 3.644 1.057 -13.214 162 HE1 MET 19 3HE MET 19 2.844 0.651 -17.007 163 HE2 MET 19 1HE MET 19 2.583 1.614 -15.553 164 HE3 MET 19 2HE MET 19 1.949 -0.030 -15.648 165 H ASP 20 H ASP 20 6.802 -1.850 -10.627 166 HA ASP 20 HA ASP 20 9.539 -1.744 -11.684 167 HB2 ASP 20 2HB ASP 20 8.553 -1.471 -8.833 168 HB3 ASP 20 1HB ASP 20 10.220 -1.283 -9.362 169 H ASP 21 H ASP 21 9.636 -3.910 -12.437 170 HA ASP 21 HA ASP 21 8.968 -6.211 -11.023 171 HB2 ASP 21 2HB ASP 21 9.394 -6.276 -13.392 172 HB3 ASP 21 1HB ASP 21 11.060 -5.758 -13.161 173 H GLY 22 H GLY 22 11.954 -4.328 -10.921 174 HA2 GLY 22 2HA GLY 22 13.139 -6.310 -9.069 175 HA3 GLY 22 1HA GLY 22 14.053 -5.183 -10.052 176 H ALA 23 H ALA 23 11.259 -3.932 -8.448 177 HA ALA 23 HA ALA 23 12.648 -3.159 -6.029 178 HB1 ALA 23 3HB ALA 23 12.528 -0.751 -6.407 179 HB2 ALA 23 1HB ALA 23 11.922 -1.032 -8.040 180 HB3 ALA 23 2HB ALA 23 13.557 -1.535 -7.608 181 HA PRO 24 HA PRO 24 8.290 -3.796 -4.932 182 HB2 PRO 24 2HB PRO 24 8.863 -2.868 -2.296 183 HB3 PRO 24 1HB PRO 24 8.671 -4.536 -2.838 184 HG2 PRO 24 2HG PRO 24 11.138 -2.982 -2.358 185 HG3 PRO 24 1HG PRO 24 10.879 -4.731 -2.297 186 HD2 PRO 24 2HD PRO 24 12.244 -3.524 -4.293 187 HD3 PRO 24 1HD PRO 24 11.281 -4.992 -4.553 188 H VAL 25 H VAL 25 6.753 -2.383 -3.429 189 HA VAL 25 HA VAL 25 6.422 -0.020 -5.049 190 HB VAL 25 HB VAL 25 4.650 -1.090 -2.843 191 HG11 VAL 25 1HG1 VAL 25 2.865 0.188 -3.964 192 HG12 VAL 25 2HG1 VAL 25 4.055 0.854 -5.084 193 HG13 VAL 25 3HG1 VAL 25 4.151 1.237 -3.364 194 HG21 VAL 25 3HG2 VAL 25 4.988 -2.766 -4.563 195 HG22 VAL 25 1HG2 VAL 25 4.580 -1.596 -5.818 196 HG23 VAL 25 2HG2 VAL 25 3.351 -2.114 -4.664 197 H LYS 26 H LYS 26 6.014 2.085 -4.291 198 HA LYS 26 HA LYS 26 7.344 2.760 -1.752 199 HB2 LYS 26 2HB LYS 26 6.766 4.543 -4.139 200 HB3 LYS 26 1HB LYS 26 7.676 4.998 -2.706 201 HG2 LYS 26 2HG LYS 26 9.239 4.593 -4.451 202 HG3 LYS 26 1HG LYS 26 9.365 3.245 -3.321 203 HD2 LYS 26 2HD LYS 26 7.948 1.885 -4.828 204 HD3 LYS 26 1HD LYS 26 7.870 3.236 -5.954 205 HE2 LYS 26 2HE LYS 26 10.234 3.108 -6.365 206 HE3 LYS 26 1HE LYS 26 10.437 1.909 -5.088 207 HZ1 LYS 26 3HZ LYS 26 8.814 1.465 -7.540 208 HZ2 LYS 26 1HZ LYS 26 9.221 0.317 -6.363 209 HZ3 LYS 26 2HZ LYS 26 10.420 0.971 -7.360 210 H THR 27 H THR 27 6.328 4.202 -0.293 211 HA THR 27 HA THR 27 3.612 3.830 0.135 212 HB THR 27 HB THR 27 5.331 6.104 1.161 213 HG1 THR 27 HG1 THR 27 6.170 4.229 1.946 214 HG21 THR 27 3HG2 THR 27 2.945 6.635 1.404 215 HG22 THR 27 1HG2 THR 27 3.683 6.304 2.972 216 HG23 THR 27 2HG2 THR 27 2.676 5.082 2.196 217 H ARG 28 H ARG 28 5.181 6.643 -1.415 218 HA ARG 28 HA ARG 28 2.889 8.250 -1.653 219 HE ARG 28 HE ARG 28 7.079 8.946 -3.630 220 HB2 ARG 28 2HB ARG 28 5.322 8.133 -3.454 221 HB3 ARG 28 1HB ARG 28 4.107 9.405 -3.494 222 HG2 ARG 28 2HG ARG 28 4.666 9.971 -1.149 223 HG3 ARG 28 1HG ARG 28 5.944 8.752 -1.190 224 HD2 ARG 28 2HD ARG 28 5.749 11.217 -2.925 225 HD3 ARG 28 1HD ARG 28 6.885 10.952 -1.602 226 HH11 ARG 28 1HH1 ARG 28 8.039 12.148 -2.810 227 HH12 ARG 28 2HH1 ARG 28 9.460 12.088 -3.791 228 HH21 ARG 28 1HH2 ARG 28 8.879 8.892 -4.905 229 HH22 ARG 28 2HH2 ARG 28 9.933 10.262 -4.963 230 H ASP 29 H ASP 29 4.209 5.829 -3.903 231 HA ASP 29 HA ASP 29 2.464 6.198 -6.039 232 HB2 ASP 29 2HB ASP 29 3.794 3.688 -5.010 233 HB3 ASP 29 1HB ASP 29 2.952 3.783 -6.555 234 H ILE 30 H ILE 30 2.010 4.277 -3.095 235 HA ILE 30 HA ILE 30 -0.448 3.088 -3.899 236 HB ILE 30 HB ILE 30 0.608 3.532 -1.096 237 HG12 ILE 30 2HG1 ILE 30 0.865 1.140 -2.948 238 HG13 ILE 30 1HG1 ILE 30 2.160 2.263 -2.546 239 HG21 ILE 30 1HG2 ILE 30 -1.789 3.047 -1.115 240 HG22 ILE 30 2HG2 ILE 30 -0.882 1.683 -0.463 241 HG23 ILE 30 3HG2 ILE 30 -1.505 1.621 -2.111 242 HD11 ILE 30 3HD1 ILE 30 0.759 0.407 -0.634 243 HD12 ILE 30 1HD1 ILE 30 2.033 1.552 -0.207 244 HD13 ILE 30 2HD1 ILE 30 2.381 0.211 -1.297 245 H ALA 31 H ALA 31 0.303 5.928 -1.872 246 HA ALA 31 HA ALA 31 -2.352 6.728 -1.351 247 HB1 ALA 31 3HB ALA 31 -0.399 7.642 -0.161 248 HB2 ALA 31 1HB ALA 31 -1.417 8.918 -0.828 249 HB3 ALA 31 2HB ALA 31 0.091 8.485 -1.630 250 H ASP 32 H ASP 32 -0.227 7.316 -4.079 251 HA ASP 32 HA ASP 32 -1.775 9.239 -5.448 252 HB2 ASP 32 2HB ASP 32 0.580 8.860 -5.959 253 HB3 ASP 32 1HB ASP 32 0.239 7.211 -6.467 254 H ALA 33 H ALA 33 -1.496 5.715 -5.987 255 HA ALA 33 HA ALA 33 -3.359 5.577 -8.090 256 HB1 ALA 33 3HB ALA 33 -1.665 3.856 -7.626 257 HB2 ALA 33 1HB ALA 33 -3.283 3.178 -7.800 258 HB3 ALA 33 2HB ALA 33 -2.574 3.367 -6.195 259 H ALA 34 H ALA 34 -3.831 5.202 -4.584 260 HA ALA 34 HA ALA 34 -6.617 4.464 -4.902 261 HB1 ALA 34 3HB ALA 34 -5.068 5.163 -2.406 262 HB2 ALA 34 1HB ALA 34 -5.323 3.542 -3.056 263 HB3 ALA 34 2HB ALA 34 -6.691 4.475 -2.456 264 H GLY 35 H GLY 35 -4.819 7.419 -4.381 265 HA2 GLY 35 2HA GLY 35 -5.554 9.616 -4.465 266 HA3 GLY 35 1HA GLY 35 -7.193 9.028 -4.699 267 H LEU 36 H LEU 36 -4.984 8.303 -2.025 268 HA LEU 36 HA LEU 36 -6.928 9.534 -0.163 269 HG LEU 36 HG LEU 36 -7.113 6.507 -1.090 270 HB2 LEU 36 2HB LEU 36 -5.164 7.119 0.280 271 HB3 LEU 36 1HB LEU 36 -6.220 7.831 1.486 272 HD11 LEU 36 1HD1 LEU 36 -8.021 4.770 0.364 273 HD12 LEU 36 2HD1 LEU 36 -7.355 5.588 1.778 274 HD13 LEU 36 3HD1 LEU 36 -6.273 4.911 0.558 275 HD21 LEU 36 3HD2 LEU 36 -8.618 8.323 -0.470 276 HD22 LEU 36 1HD2 LEU 36 -8.749 7.679 1.167 277 HD23 LEU 36 2HD2 LEU 36 -9.385 6.760 -0.197 278 H SER 37 H SER 37 -5.832 9.946 2.076 279 HA SER 37 HA SER 37 -3.633 11.768 1.604 280 HG SER 37 HG SER 37 -6.506 12.383 3.591 281 HB2 SER 37 2HB SER 37 -5.031 11.027 4.193 282 HB3 SER 37 1HB SER 37 -3.895 12.359 3.991 283 H ILE 38 H ILE 38 -1.567 11.707 2.591 284 HA ILE 38 HA ILE 38 -0.218 9.295 2.393 285 HB ILE 38 HB ILE 38 0.610 11.730 3.992 286 HG12 ILE 38 2HG1 ILE 38 0.181 12.231 1.630 287 HG13 ILE 38 1HG1 ILE 38 1.903 12.329 1.981 288 HG21 ILE 38 1HG2 ILE 38 2.287 9.414 3.002 289 HG22 ILE 38 2HG2 ILE 38 1.917 9.800 4.682 290 HG23 ILE 38 3HG2 ILE 38 2.916 10.893 3.729 291 HD11 ILE 38 3HD1 ILE 38 1.515 11.262 -0.153 292 HD12 ILE 38 1HD1 ILE 38 0.495 10.045 0.615 293 HD13 ILE 38 2HD1 ILE 38 2.219 10.113 0.985 294 H TYR 39 H TYR 39 -0.922 10.970 5.502 295 HA TYR 39 HA TYR 39 -0.067 8.921 7.195 296 HD1 TYR 39 HD1 TYR 39 0.412 9.210 9.616 297 HD2 TYR 39 HD2 TYR 39 -3.629 10.544 9.437 298 HE1 TYR 39 HE1 TYR 39 0.035 8.354 11.889 299 HE2 TYR 39 HE2 TYR 39 -4.018 9.687 11.709 300 HH TYR 39 HH TYR 39 -3.092 8.053 13.249 301 HB2 TYR 39 2HB TYR 39 -0.518 11.168 8.013 302 HB3 TYR 39 1HB TYR 39 -2.230 10.996 7.645 303 H GLN 40 H GLN 40 -3.267 9.468 5.790 304 HA GLN 40 HA GLN 40 -4.721 7.457 7.061 305 HB2 GLN 40 2HB GLN 40 -5.718 9.202 5.656 306 HB3 GLN 40 1HB GLN 40 -4.959 8.513 4.233 307 HG2 GLN 40 2HG GLN 40 -6.315 6.474 4.524 308 HG3 GLN 40 1HG GLN 40 -7.110 7.228 5.908 309 HE21 GLN 40 1HE2 GLN 40 -9.133 7.163 4.913 310 HE22 GLN 40 2HE2 GLN 40 -9.548 8.204 3.599 311 H VAL 41 H VAL 41 -2.917 7.309 3.991 312 HA VAL 41 HA VAL 41 -3.329 4.556 3.498 313 HB VAL 41 HB VAL 41 -1.085 6.350 2.530 314 HG11 VAL 41 1HG1 VAL 41 -0.869 4.732 0.685 315 HG12 VAL 41 2HG1 VAL 41 -2.059 3.691 1.468 316 HG13 VAL 41 3HG1 VAL 41 -0.507 4.002 2.248 317 HG21 VAL 41 3HG2 VAL 41 -2.464 6.582 0.498 318 HG22 VAL 41 1HG2 VAL 41 -3.275 7.222 1.927 319 HG23 VAL 41 2HG2 VAL 41 -3.747 5.652 1.275 320 H ARG 42 H ARG 42 -0.716 6.297 5.169 321 HA ARG 42 HA ARG 42 1.060 4.244 5.705 322 HE ARG 42 HE ARG 42 3.309 4.556 7.874 323 HB2 ARG 42 2HB ARG 42 0.222 6.643 7.325 324 HB3 ARG 42 1HB ARG 42 1.393 5.504 7.968 325 HG2 ARG 42 2HG ARG 42 1.732 6.932 5.337 326 HG3 ARG 42 1HG ARG 42 2.361 7.532 6.873 327 HD2 ARG 42 2HD ARG 42 3.083 4.928 5.517 328 HD3 ARG 42 1HD ARG 42 4.110 6.353 5.676 329 HH11 ARG 42 1HH1 ARG 42 5.336 7.093 6.685 330 HH12 ARG 42 2HH1 ARG 42 6.457 6.947 7.993 331 HH21 ARG 42 1HH2 ARG 42 4.758 4.391 9.535 332 HH22 ARG 42 2HH2 ARG 42 6.138 5.438 9.585 333 H LEU 43 H LEU 43 -1.846 5.114 7.574 334 HA LEU 43 HA LEU 43 -1.614 3.175 9.584 335 HG LEU 43 HG LEU 43 -2.672 6.135 9.323 336 HB2 LEU 43 2HB LEU 43 -4.124 4.372 8.395 337 HB3 LEU 43 1HB LEU 43 -4.042 3.502 9.916 338 HD11 LEU 43 1HD1 LEU 43 -5.099 6.350 9.515 339 HD12 LEU 43 2HD1 LEU 43 -4.280 7.091 10.887 340 HD13 LEU 43 3HD1 LEU 43 -5.055 5.518 11.068 341 HD21 LEU 43 3HD2 LEU 43 -2.136 6.153 11.726 342 HD22 LEU 43 1HD2 LEU 43 -1.373 4.796 10.893 343 HD23 LEU 43 2HD2 LEU 43 -2.809 4.529 11.882 344 H TYR 44 H TYR 44 -3.472 3.047 6.534 345 HA TYR 44 HA TYR 44 -4.445 0.431 6.860 346 HD1 TYR 44 HD1 TYR 44 -6.694 0.009 5.866 347 HD2 TYR 44 HD2 TYR 44 -5.493 3.894 4.603 348 HE1 TYR 44 HE1 TYR 44 -8.960 0.844 6.303 349 HE2 TYR 44 HE2 TYR 44 -7.762 4.741 5.041 350 HH TYR 44 HH TYR 44 -10.073 3.827 5.185 351 HB2 TYR 44 2HB TYR 44 -3.981 2.122 4.411 352 HB3 TYR 44 1HB TYR 44 -4.631 0.490 4.295 353 H LEU 45 H LEU 45 -1.463 1.546 5.264 354 HA LEU 45 HA LEU 45 -0.722 -0.963 4.181 355 HG LEU 45 HG LEU 45 -0.606 1.994 3.150 356 HB2 LEU 45 2HB LEU 45 0.985 1.422 4.920 357 HB3 LEU 45 1HB LEU 45 1.549 0.048 3.988 358 HD11 LEU 45 1HD1 LEU 45 2.207 1.597 2.134 359 HD12 LEU 45 2HD1 LEU 45 1.624 2.966 3.079 360 HD13 LEU 45 3HD1 LEU 45 1.008 2.693 1.451 361 HD21 LEU 45 3HD2 LEU 45 -1.078 -0.234 2.297 362 HD22 LEU 45 1HD2 LEU 45 0.568 -0.366 1.678 363 HD23 LEU 45 2HD2 LEU 45 -0.540 0.823 0.994 364 H GLU 46 H GLU 46 0.408 0.731 7.108 365 HA GLU 46 HA GLU 46 2.167 -1.338 7.903 366 HB2 GLU 46 2HB GLU 46 0.970 0.947 9.477 367 HB3 GLU 46 1HB GLU 46 2.253 -0.102 10.076 368 HG2 GLU 46 2HG GLU 46 3.583 0.588 8.024 369 HG3 GLU 46 1HG GLU 46 2.361 1.831 7.769 370 H GLN 47 H GLN 47 -1.249 -0.769 8.588 371 HA GLN 47 HA GLN 47 -1.431 -2.884 10.519 372 HB2 GLN 47 2HB GLN 47 -3.514 -1.420 8.899 373 HB3 GLN 47 1HB GLN 47 -3.926 -2.718 10.014 374 HG2 GLN 47 2HG GLN 47 -2.508 -0.158 10.747 375 HG3 GLN 47 1HG GLN 47 -4.215 -0.505 11.025 376 HE21 GLN 47 1HE2 GLN 47 -2.025 0.098 12.912 377 HE22 GLN 47 2HE2 GLN 47 -2.005 -1.216 14.032 378 H LEU 48 H LEU 48 -1.947 -2.687 6.999 379 HA LEU 48 HA LEU 48 -2.713 -5.385 6.646 380 HG LEU 48 HG LEU 48 -3.794 -3.000 5.232 381 HB2 LEU 48 2HB LEU 48 -1.397 -3.409 4.790 382 HB3 LEU 48 1HB LEU 48 -1.775 -5.045 4.282 383 HD11 LEU 48 1HD1 LEU 48 -3.237 -4.044 2.454 384 HD12 LEU 48 2HD1 LEU 48 -2.876 -2.424 3.048 385 HD13 LEU 48 3HD1 LEU 48 -4.550 -2.957 2.908 386 HD21 LEU 48 3HD2 LEU 48 -5.465 -4.637 4.472 387 HD22 LEU 48 1HD2 LEU 48 -4.481 -5.261 5.797 388 HD23 LEU 48 2HD2 LEU 48 -4.171 -5.791 4.143 389 H HIS 49 H HIS 49 0.419 -3.881 7.109 390 HA HIS 49 HA HIS 49 1.940 -6.243 6.559 391 HD1 HIS 49 HD1 HIS 49 4.280 -6.805 6.530 392 HD2 HIS 49 HD2 HIS 49 4.944 -4.119 9.633 393 HE1 HIS 49 HE1 HIS 49 6.397 -7.561 7.631 394 HE2 HIS 49 HE2 HIS 49 6.696 -6.023 9.596 395 HB2 HIS 49 2HB HIS 49 3.054 -4.073 6.557 396 HB3 HIS 49 1HB HIS 49 2.630 -3.819 8.248 397 H ASP 50 H ASP 50 0.477 -4.865 9.468 398 HA ASP 50 HA ASP 50 1.573 -6.636 11.351 399 HB2 ASP 50 2HB ASP 50 0.410 -4.476 11.846 400 HB3 ASP 50 1HB ASP 50 -1.122 -5.267 11.489 401 H VAL 51 H VAL 51 -1.373 -6.891 9.379 402 HA VAL 51 HA VAL 51 -2.138 -9.413 10.565 403 HB VAL 51 HB VAL 51 -3.913 -9.487 8.858 404 HG11 VAL 51 1HG1 VAL 51 -4.271 -8.258 10.954 405 HG12 VAL 51 2HG1 VAL 51 -5.161 -7.532 9.617 406 HG13 VAL 51 3HG1 VAL 51 -3.671 -6.784 10.192 407 HG21 VAL 51 3HG2 VAL 51 -2.724 -6.899 7.843 408 HG22 VAL 51 1HG2 VAL 51 -4.213 -7.656 7.277 409 HG23 VAL 51 2HG2 VAL 51 -2.664 -8.452 7.013 410 H GLY 52 H GLY 52 0.091 -8.532 8.139 411 HA2 GLY 52 2HA GLY 52 1.676 -10.105 7.344 412 HA3 GLY 52 1HA GLY 52 0.500 -11.384 7.573 413 H VAL 53 H VAL 53 -0.484 -8.513 5.857 414 HA VAL 53 HA VAL 53 -0.658 -10.042 3.371 415 HB VAL 53 HB VAL 53 -1.632 -7.231 3.973 416 HG11 VAL 53 1HG1 VAL 53 -2.209 -9.018 1.600 417 HG12 VAL 53 2HG1 VAL 53 -1.194 -7.574 1.588 418 HG13 VAL 53 3HG1 VAL 53 -2.924 -7.432 1.902 419 HG21 VAL 53 3HG2 VAL 53 -3.856 -8.190 4.127 420 HG22 VAL 53 1HG2 VAL 53 -2.786 -8.966 5.292 421 HG23 VAL 53 2HG2 VAL 53 -3.216 -9.803 3.801 422 H LEU 54 H LEU 54 0.612 -6.850 4.365 423 HA LEU 54 HA LEU 54 2.308 -6.816 1.954 424 HG LEU 54 HG LEU 54 -0.465 -5.210 2.614 425 HB2 LEU 54 2HB LEU 54 1.562 -4.519 3.772 426 HB3 LEU 54 1HB LEU 54 2.428 -4.405 2.251 427 HD11 LEU 54 1HD1 LEU 54 -0.124 -2.836 2.881 428 HD12 LEU 54 2HD1 LEU 54 -0.898 -3.143 1.328 429 HD13 LEU 54 3HD1 LEU 54 0.825 -2.767 1.396 430 HD21 LEU 54 3HD2 LEU 54 -0.573 -5.282 0.165 431 HD22 LEU 54 1HD2 LEU 54 0.548 -6.489 0.796 432 HD23 LEU 54 2HD2 LEU 54 1.167 -5.001 0.073 433 H GLU 55 H GLU 55 4.438 -7.094 2.170 434 HA GLU 55 HA GLU 55 5.653 -7.042 4.824 435 HB2 GLU 55 2HB GLU 55 6.098 -9.005 3.488 436 HB3 GLU 55 1HB GLU 55 6.665 -8.019 2.146 437 HG2 GLU 55 2HG GLU 55 8.583 -7.299 3.443 438 HG3 GLU 55 1HG GLU 55 8.000 -8.198 4.843 439 H LYS 56 H LYS 56 7.245 -5.650 5.464 440 HA LYS 56 HA LYS 56 7.773 -3.308 3.809 441 HB2 LYS 56 2HB LYS 56 8.541 -3.993 6.655 442 HB3 LYS 56 1HB LYS 56 9.023 -2.509 5.848 443 HG2 LYS 56 2HG LYS 56 6.695 -1.838 5.636 444 HG3 LYS 56 1HG LYS 56 6.176 -3.354 6.381 445 HD2 LYS 56 2HD LYS 56 7.293 -2.755 8.456 446 HD3 LYS 56 1HD LYS 56 7.943 -1.292 7.719 447 HE2 LYS 56 2HE LYS 56 5.743 -0.342 7.522 448 HE3 LYS 56 1HE LYS 56 4.994 -1.852 8.039 449 HZ1 LYS 56 3HZ LYS 56 6.816 -0.242 9.752 450 HZ2 LYS 56 1HZ LYS 56 5.891 -1.580 10.217 451 HZ3 LYS 56 2HZ LYS 56 5.131 -0.126 9.799 452 H VAL 57 H VAL 57 9.148 -4.081 2.184 453 HA VAL 57 HA VAL 57 11.563 -5.508 2.727 454 HB VAL 57 HB VAL 57 10.850 -3.843 0.297 455 HG11 VAL 57 1HG1 VAL 57 12.536 -5.197 -0.872 456 HG12 VAL 57 2HG1 VAL 57 12.950 -5.987 0.650 457 HG13 VAL 57 3HG1 VAL 57 13.247 -4.261 0.446 458 HG21 VAL 57 3HG2 VAL 57 9.197 -5.594 0.679 459 HG22 VAL 57 1HG2 VAL 57 10.478 -6.802 0.815 460 HG23 VAL 57 2HG2 VAL 57 10.189 -5.989 -0.724 461 H ASN 58 H ASN 58 13.557 -4.766 3.243 462 HA ASN 58 HA ASN 58 15.279 -3.369 3.769 463 HB2 ASN 58 2HB ASN 58 14.818 -2.266 1.576 464 HB3 ASN 58 1HB ASN 58 13.705 -1.173 2.390 465 HD21 ASN 58 1HD2 ASN 58 14.796 0.689 2.015 466 HD22 ASN 58 2HD2 ASN 58 16.359 1.040 2.657 467 H ALA 59 H ALA 59 12.768 -3.723 5.398 468 HA ALA 59 HA ALA 59 12.386 -1.293 6.866 469 HB1 ALA 59 3HB ALA 59 11.049 -2.617 8.392 470 HB2 ALA 59 1HB ALA 59 11.650 -4.106 7.660 471 HB3 ALA 59 2HB ALA 59 10.643 -3.007 6.720 472 H GLY 60 H GLY 60 14.776 -3.747 6.989 473 HA2 GLY 60 2HA GLY 60 16.535 -4.180 8.398 474 HA3 GLY 60 1HA GLY 60 16.450 -2.471 8.786 475 H LYS 61 H LYS 61 15.494 -1.812 10.696 476 HA LYS 61 HA LYS 61 14.513 -3.920 12.513 477 HB2 LYS 61 2HB LYS 61 16.368 -1.632 13.217 478 HB3 LYS 61 1HB LYS 61 15.613 -2.699 14.393 479 HG2 LYS 61 2HG LYS 61 16.774 -4.621 13.327 480 HG3 LYS 61 1HG LYS 61 17.605 -3.484 12.266 481 HD2 LYS 61 2HD LYS 61 17.774 -3.519 15.287 482 HD3 LYS 61 1HD LYS 61 18.995 -4.156 14.184 483 HE2 LYS 61 2HE LYS 61 18.104 -1.276 14.377 484 HE3 LYS 61 1HE LYS 61 19.611 -1.941 15.004 485 HZ1 LYS 61 3HZ LYS 61 18.808 -1.814 12.147 486 HZ2 LYS 61 1HZ LYS 61 20.228 -2.528 12.723 487 HZ3 LYS 61 2HZ LYS 61 19.988 -0.867 12.901 488 H GLY 62 H GLY 62 12.924 -2.215 10.855 489 HA2 GLY 62 2HA GLY 62 10.673 -1.712 11.616 490 HA3 GLY 62 1HA GLY 62 11.367 -0.945 13.028 491 H VAL 63 H VAL 63 12.282 -0.455 9.605 492 HA VAL 63 HA VAL 63 11.344 2.337 9.871 493 HB VAL 63 HB VAL 63 12.919 3.004 8.183 494 HG11 VAL 63 1HG1 VAL 63 14.274 1.246 10.226 495 HG12 VAL 63 2HG1 VAL 63 13.775 2.919 10.454 496 HG13 VAL 63 3HG1 VAL 63 15.052 2.531 9.304 497 HG21 VAL 63 3HG2 VAL 63 12.858 1.048 6.726 498 HG22 VAL 63 1HG2 VAL 63 13.723 0.104 7.940 499 HG23 VAL 63 2HG2 VAL 63 14.521 1.459 7.143 500 HA PRO 64 HA PRO 64 8.368 1.572 6.601 501 HB2 PRO 64 2HB PRO 64 8.650 4.410 5.846 502 HB3 PRO 64 1HB PRO 64 7.236 3.550 6.464 503 HG2 PRO 64 2HG PRO 64 8.572 5.347 7.962 504 HG3 PRO 64 1HG PRO 64 7.815 3.908 8.673 505 HD2 PRO 64 2HD PRO 64 10.703 4.396 7.998 506 HD3 PRO 64 1HD PRO 64 9.999 3.627 9.439 507 H GLY 65 H GLY 65 9.630 0.298 5.210 508 HA2 GLY 65 2HA GLY 65 11.352 1.676 3.270 509 HA3 GLY 65 1HA GLY 65 11.315 -0.053 3.570 510 H LEU 66 H LEU 66 10.836 -0.935 1.658 511 HA LEU 66 HA LEU 66 8.806 0.294 -0.064 512 HG LEU 66 HG LEU 66 11.865 0.342 -0.417 513 HB2 LEU 66 2HB LEU 66 10.804 -1.910 -0.597 514 HB3 LEU 66 1HB LEU 66 9.686 -1.260 -1.783 515 HD11 LEU 66 1HD1 LEU 66 11.762 -0.806 -3.208 516 HD12 LEU 66 2HD1 LEU 66 12.810 -1.350 -1.895 517 HD13 LEU 66 3HD1 LEU 66 13.013 0.267 -2.573 518 HD21 LEU 66 3HD2 LEU 66 10.014 1.019 -2.710 519 HD22 LEU 66 1HD2 LEU 66 11.341 2.027 -2.126 520 HD23 LEU 66 2HD2 LEU 66 9.956 1.703 -1.082 521 H TRP 67 H TRP 67 6.878 -0.625 -0.494 522 HA TRP 67 HA TRP 67 6.032 -2.823 1.186 523 HD1 TRP 67 HD1 TRP 67 5.026 1.286 0.114 524 HE1 TRP 67 HE1 TRP 67 4.827 2.468 2.391 525 HE3 TRP 67 HE3 TRP 67 3.967 -2.769 3.040 526 HZ2 TRP 67 HZ2 TRP 67 4.303 1.771 5.076 527 HZ3 TRP 67 HZ3 TRP 67 3.634 -2.426 5.455 528 HH2 TRP 67 HH2 TRP 67 3.800 -0.205 6.446 529 HB2 TRP 67 2HB TRP 67 4.457 -1.112 -0.751 530 HB3 TRP 67 1HB TRP 67 3.771 -2.246 0.411 531 H ARG 68 H ARG 68 5.897 -4.867 0.605 532 HA ARG 68 HA ARG 68 5.233 -5.579 -2.170 533 HE ARG 68 HE ARG 68 7.422 -10.155 -3.266 534 HB2 ARG 68 2HB ARG 68 7.618 -5.842 -2.119 535 HB3 ARG 68 1HB ARG 68 7.557 -6.663 -0.565 536 HG2 ARG 68 2HG ARG 68 6.455 -8.572 -1.590 537 HG3 ARG 68 1HG ARG 68 6.452 -7.750 -3.153 538 HD2 ARG 68 2HD ARG 68 8.884 -7.769 -3.195 539 HD3 ARG 68 1HD ARG 68 8.930 -8.495 -1.587 540 HH11 ARG 68 1HH1 ARG 68 10.693 -9.136 -2.858 541 HH12 ARG 68 2HH1 ARG 68 11.334 -10.605 -3.498 542 HH21 ARG 68 1HH2 ARG 68 8.255 -12.003 -4.099 543 HH22 ARG 68 2HH2 ARG 68 9.966 -12.207 -4.209 544 H LEU 69 H LEU 69 3.394 -6.791 -2.077 545 HA LEU 69 HA LEU 69 2.479 -7.989 0.322 546 HG LEU 69 HG LEU 69 1.941 -9.772 -2.898 547 HB2 LEU 69 2HB LEU 69 0.632 -8.843 -0.892 548 HB3 LEU 69 1HB LEU 69 0.980 -7.253 -1.536 549 HD11 LEU 69 1HD1 LEU 69 -0.010 -9.658 -4.339 550 HD12 LEU 69 2HD1 LEU 69 -0.644 -8.296 -3.414 551 HD13 LEU 69 3HD1 LEU 69 -0.497 -9.884 -2.660 552 HD21 LEU 69 3HD2 LEU 69 3.048 -7.725 -3.605 553 HD22 LEU 69 1HD2 LEU 69 1.487 -6.951 -3.888 554 HD23 LEU 69 2HD2 LEU 69 1.990 -8.317 -4.886 555 H LEU 70 H LEU 70 2.136 -10.249 0.782 556 HA LEU 70 HA LEU 70 4.510 -11.777 0.162 557 HG LEU 70 HG LEU 70 3.457 -10.613 2.874 558 HB2 LEU 70 2HB LEU 70 2.131 -12.439 1.902 559 HB3 LEU 70 1HB LEU 70 3.575 -13.427 1.763 560 HD11 LEU 70 1HD1 LEU 70 4.023 -11.687 5.007 561 HD12 LEU 70 2HD1 LEU 70 3.893 -13.271 4.241 562 HD13 LEU 70 3HD1 LEU 70 2.470 -12.238 4.381 563 HD21 LEU 70 3HD2 LEU 70 5.574 -11.024 1.722 564 HD22 LEU 70 1HD2 LEU 70 5.798 -12.513 2.640 565 HD23 LEU 70 2HD2 LEU 70 5.814 -10.956 3.468 566 H GLU 71 H GLU 71 4.716 -13.238 -1.407 567 HA GLU 71 HA GLU 71 2.302 -14.302 -2.681 568 HB2 GLU 71 2HB GLU 71 3.774 -15.045 -4.519 569 HB3 GLU 71 1HB GLU 71 3.847 -13.315 -4.246 570 HG2 GLU 71 2HG GLU 71 5.918 -15.256 -3.224 571 HG3 GLU 71 1HG GLU 71 6.025 -14.440 -4.780 Start of MODEL 12 1 HA MET 1 HA MET 1 -19.166 -3.034 -4.701 2 H1 MET 1 1H MET 1 -20.700 -4.394 -3.439 3 H2 MET 1 2H MET 1 -21.493 -3.061 -4.108 4 H3 MET 1 3H MET 1 -21.108 -3.076 -2.458 5 HB2 MET 1 2HB MET 1 -20.317 -0.899 -4.441 6 HB3 MET 1 1HB MET 1 -19.994 -0.895 -2.715 7 HG2 MET 1 2HG MET 1 -17.606 -0.672 -3.143 8 HG3 MET 1 1HG MET 1 -17.901 -0.735 -4.882 9 HE1 MET 1 3HE MET 1 -16.236 1.577 -3.500 10 HE2 MET 1 1HE MET 1 -16.889 3.016 -4.283 11 HE3 MET 1 2HE MET 1 -16.566 1.563 -5.235 12 H SER 2 H SER 2 -16.985 -3.205 -4.134 13 HA SER 2 HA SER 2 -16.341 -4.790 -1.927 14 HG SER 2 HG SER 2 -14.638 -2.004 -3.222 15 HB2 SER 2 2HB SER 2 -13.957 -4.244 -2.453 16 HB3 SER 2 1HB SER 2 -14.887 -4.742 -3.864 17 H GLU 3 H GLU 3 -16.920 -4.077 0.043 18 HA GLU 3 HA GLU 3 -16.658 -1.500 1.113 19 HB2 GLU 3 2HB GLU 3 -16.932 -2.565 3.293 20 HB3 GLU 3 1HB GLU 3 -18.028 -3.292 2.123 21 HG2 GLU 3 2HG GLU 3 -16.380 -5.146 1.833 22 HG3 GLU 3 1HG GLU 3 -15.438 -4.447 3.148 23 H SER 4 H SER 4 -14.356 -4.126 0.873 24 HA SER 4 HA SER 4 -12.434 -3.008 2.679 25 HG SER 4 HG SER 4 -10.210 -5.629 1.440 26 HB2 SER 4 2HB SER 4 -12.467 -5.407 2.356 27 HB3 SER 4 1HB SER 4 -12.180 -5.222 0.626 28 H ILE 5 H ILE 5 -12.157 -0.855 1.853 29 HA ILE 5 HA ILE 5 -11.009 -0.224 -0.627 30 HB ILE 5 HB ILE 5 -11.824 1.495 0.933 31 HG12 ILE 5 2HG1 ILE 5 -8.877 1.834 0.291 32 HG13 ILE 5 1HG1 ILE 5 -10.201 2.117 -0.835 33 HG21 ILE 5 1HG2 ILE 5 -11.074 0.513 3.032 34 HG22 ILE 5 2HG2 ILE 5 -10.485 2.168 2.881 35 HG23 ILE 5 3HG2 ILE 5 -9.392 0.814 2.593 36 HD11 ILE 5 3HD1 ILE 5 -9.399 4.201 0.035 37 HD12 ILE 5 1HD1 ILE 5 -9.634 3.646 1.692 38 HD13 ILE 5 2HD1 ILE 5 -11.026 3.906 0.643 39 H VAL 6 H VAL 6 -9.706 -1.707 2.204 40 HA VAL 6 HA VAL 6 -6.959 -1.527 1.823 41 HB VAL 6 HB VAL 6 -8.598 -3.840 2.894 42 HG11 VAL 6 1HG1 VAL 6 -6.530 -4.553 4.022 43 HG12 VAL 6 2HG1 VAL 6 -5.640 -3.290 3.172 44 HG13 VAL 6 3HG1 VAL 6 -6.375 -4.611 2.265 45 HG21 VAL 6 3HG2 VAL 6 -8.932 -1.741 4.115 46 HG22 VAL 6 1HG2 VAL 6 -7.188 -1.582 4.332 47 HG23 VAL 6 2HG2 VAL 6 -8.053 -2.914 5.097 48 H THR 7 H THR 7 -9.229 -3.990 0.558 49 HA THR 7 HA THR 7 -7.374 -5.515 -0.891 50 HB THR 7 HB THR 7 -10.299 -5.052 -1.545 51 HG1 THR 7 HG1 THR 7 -9.298 -7.352 -0.256 52 HG21 THR 7 3HG2 THR 7 -8.432 -7.276 -2.408 53 HG22 THR 7 1HG2 THR 7 -9.127 -6.034 -3.452 54 HG23 THR 7 2HG2 THR 7 -10.173 -7.236 -2.695 55 H LYS 8 H LYS 8 -9.069 -2.551 -1.773 56 HA LYS 8 HA LYS 8 -8.303 -2.417 -4.483 57 HB2 LYS 8 2HB LYS 8 -10.010 -0.942 -3.495 58 HB3 LYS 8 1HB LYS 8 -8.779 -0.165 -2.506 59 HG2 LYS 8 2HG LYS 8 -7.657 0.593 -4.596 60 HG3 LYS 8 1HG LYS 8 -9.010 -0.076 -5.514 61 HD2 LYS 8 2HD LYS 8 -10.550 1.418 -4.303 62 HD3 LYS 8 1HD LYS 8 -9.182 2.097 -3.416 63 HE2 LYS 8 2HE LYS 8 -9.741 3.587 -5.210 64 HE3 LYS 8 1HE LYS 8 -8.206 2.813 -5.592 65 HZ1 LYS 8 3HZ LYS 8 -9.404 1.279 -7.051 66 HZ2 LYS 8 1HZ LYS 8 -9.646 2.888 -7.516 67 HZ3 LYS 8 2HZ LYS 8 -10.860 2.057 -6.688 68 H ILE 9 H ILE 9 -6.778 -1.068 -1.559 69 HA ILE 9 HA ILE 9 -4.504 0.055 -2.746 70 HB ILE 9 HB ILE 9 -4.823 -1.119 0.029 71 HG12 ILE 9 2HG1 ILE 9 -5.047 1.734 -0.981 72 HG13 ILE 9 1HG1 ILE 9 -6.396 0.708 -0.505 73 HG21 ILE 9 1HG2 ILE 9 -2.890 0.278 0.656 74 HG22 ILE 9 2HG2 ILE 9 -2.674 0.716 -1.038 75 HG23 ILE 9 3HG2 ILE 9 -2.460 -0.956 -0.528 76 HD11 ILE 9 3HD1 ILE 9 -4.199 1.698 1.296 77 HD12 ILE 9 1HD1 ILE 9 -5.539 0.655 1.782 78 HD13 ILE 9 2HD1 ILE 9 -5.855 2.301 1.228 79 H ILE 10 H ILE 10 -4.989 -3.229 -1.433 80 HA ILE 10 HA ILE 10 -2.435 -4.266 -1.895 81 HB ILE 10 HB ILE 10 -5.097 -5.707 -2.076 82 HG12 ILE 10 2HG1 ILE 10 -3.149 -5.427 0.234 83 HG13 ILE 10 1HG1 ILE 10 -4.680 -4.572 0.088 84 HG21 ILE 10 1HG2 ILE 10 -2.305 -6.827 -1.743 85 HG22 ILE 10 2HG2 ILE 10 -3.350 -7.015 -3.153 86 HG23 ILE 10 3HG2 ILE 10 -3.801 -7.755 -1.619 87 HD11 ILE 10 3HD1 ILE 10 -4.325 -7.552 0.349 88 HD12 ILE 10 1HD1 ILE 10 -5.868 -6.715 0.166 89 HD13 ILE 10 2HD1 ILE 10 -4.882 -6.442 1.603 90 H SER 11 H SER 11 -5.229 -4.069 -4.082 91 HA SER 11 HA SER 11 -4.054 -5.350 -6.320 92 HG SER 11 HG SER 11 -6.952 -4.992 -5.150 93 HB2 SER 11 2HB SER 11 -6.222 -3.228 -6.256 94 HB3 SER 11 1HB SER 11 -5.831 -4.249 -7.643 95 H ILE 12 H ILE 12 -3.958 -2.014 -5.193 96 HA ILE 12 HA ILE 12 -2.692 -0.883 -7.468 97 HB ILE 12 HB ILE 12 -2.588 -0.003 -4.571 98 HG12 ILE 12 2HG1 ILE 12 -4.342 1.005 -6.829 99 HG13 ILE 12 1HG1 ILE 12 -4.867 -0.155 -5.618 100 HG21 ILE 12 1HG2 ILE 12 -1.973 2.213 -5.456 101 HG22 ILE 12 2HG2 ILE 12 -1.884 1.533 -7.081 102 HG23 ILE 12 3HG2 ILE 12 -0.757 0.992 -5.836 103 HD11 ILE 12 3HD1 ILE 12 -5.645 2.084 -5.105 104 HD12 ILE 12 1HD1 ILE 12 -3.983 2.670 -5.077 105 HD13 ILE 12 2HD1 ILE 12 -4.529 1.505 -3.870 106 H VAL 13 H VAL 13 -1.366 -2.154 -4.404 107 HA VAL 13 HA VAL 13 1.367 -1.828 -4.993 108 HB VAL 13 HB VAL 13 0.095 -4.031 -3.340 109 HG11 VAL 13 1HG1 VAL 13 2.918 -2.943 -3.301 110 HG12 VAL 13 2HG1 VAL 13 2.421 -4.526 -3.902 111 HG13 VAL 13 3HG1 VAL 13 2.261 -4.143 -2.186 112 HG21 VAL 13 3HG2 VAL 13 -0.590 -1.805 -2.575 113 HG22 VAL 13 1HG2 VAL 13 1.100 -1.316 -2.468 114 HG23 VAL 13 2HG2 VAL 13 0.479 -2.581 -1.410 115 H GLN 14 H GLN 14 -0.799 -4.599 -5.564 116 HA GLN 14 HA GLN 14 0.965 -6.353 -6.818 117 HB2 GLN 14 2HB GLN 14 -1.271 -7.031 -6.179 118 HB3 GLN 14 1HB GLN 14 -1.986 -5.865 -7.282 119 HG2 GLN 14 2HG GLN 14 -1.060 -7.126 -9.188 120 HG3 GLN 14 1HG GLN 14 -0.408 -8.316 -8.063 121 HE21 GLN 14 1HE2 GLN 14 -1.829 -9.727 -7.023 122 HE22 GLN 14 2HE2 GLN 14 -3.461 -9.939 -7.536 123 H GLU 15 H GLU 15 -1.100 -3.867 -8.281 124 HA GLU 15 HA GLU 15 -0.441 -4.169 -10.961 125 HB2 GLU 15 2HB GLU 15 -2.285 -2.798 -10.177 126 HB3 GLU 15 1HB GLU 15 -1.179 -1.695 -9.382 127 HG2 GLU 15 2HG GLU 15 -0.718 -1.992 -12.268 128 HG3 GLU 15 1HG GLU 15 -2.282 -1.304 -11.840 129 H ARG 16 H ARG 16 1.002 -1.817 -8.673 130 HA ARG 16 HA ARG 16 3.031 -0.884 -10.348 131 HE ARG 16 HE ARG 16 2.630 3.512 -8.710 132 HB2 ARG 16 2HB ARG 16 2.898 -1.083 -7.339 133 HB3 ARG 16 1HB ARG 16 4.229 -0.300 -8.181 134 HG2 ARG 16 2HG ARG 16 1.326 0.517 -8.307 135 HG3 ARG 16 1HG ARG 16 2.604 1.333 -7.402 136 HD2 ARG 16 2HD ARG 16 3.798 1.590 -9.648 137 HD3 ARG 16 1HD ARG 16 2.272 1.112 -10.391 138 HH11 ARG 16 1HH1 ARG 16 1.030 1.836 -11.278 139 HH12 ARG 16 2HH1 ARG 16 0.144 3.240 -11.767 140 HH21 ARG 16 1HH2 ARG 16 1.485 5.294 -9.364 141 HH22 ARG 16 2HH2 ARG 16 0.416 5.173 -10.719 142 H GLN 17 H GLN 17 3.080 -3.675 -8.118 143 HA GLN 17 HA GLN 17 5.777 -4.382 -8.522 144 HB2 GLN 17 2HB GLN 17 3.375 -6.071 -7.809 145 HB3 GLN 17 1HB GLN 17 4.987 -6.755 -7.966 146 HG2 GLN 17 2HG GLN 17 5.731 -5.060 -6.236 147 HG3 GLN 17 1HG GLN 17 4.020 -4.733 -5.960 148 HE21 GLN 17 1HE2 GLN 17 4.099 -5.500 -3.849 149 HE22 GLN 17 2HE2 GLN 17 4.253 -7.182 -3.479 150 H ASN 18 H ASN 18 2.849 -5.388 -10.280 151 HA ASN 18 HA ASN 18 4.041 -7.256 -11.980 152 HB2 ASN 18 2HB ASN 18 1.600 -5.522 -12.380 153 HB3 ASN 18 1HB ASN 18 2.063 -6.812 -13.488 154 HD21 ASN 18 1HD2 ASN 18 -0.332 -6.572 -11.855 155 HD22 ASN 18 2HD2 ASN 18 -0.365 -7.978 -10.854 156 H MET 19 H MET 19 3.987 -3.748 -12.214 157 HA MET 19 HA MET 19 4.810 -3.385 -14.850 158 HB2 MET 19 2HB MET 19 5.497 -1.859 -12.342 159 HB3 MET 19 1HB MET 19 6.089 -1.359 -13.918 160 HG2 MET 19 2HG MET 19 3.740 -1.198 -14.693 161 HG3 MET 19 1HG MET 19 3.213 -1.567 -13.052 162 HE1 MET 19 3HE MET 19 2.565 2.345 -13.697 163 HE2 MET 19 1HE MET 19 1.778 0.786 -13.457 164 HE3 MET 19 2HE MET 19 2.615 1.125 -14.970 165 H ASP 20 H ASP 20 6.808 -4.264 -12.039 166 HA ASP 20 HA ASP 20 9.064 -4.782 -13.883 167 HB2 ASP 20 2HB ASP 20 9.384 -2.672 -12.600 168 HB3 ASP 20 1HB ASP 20 9.274 -3.589 -11.105 169 H ASP 21 H ASP 21 6.909 -6.323 -12.163 170 HA ASP 21 HA ASP 21 6.681 -8.225 -10.968 171 HB2 ASP 21 2HB ASP 21 7.705 -9.171 -12.986 172 HB3 ASP 21 1HB ASP 21 9.309 -8.934 -12.295 173 H GLY 22 H GLY 22 6.763 -7.611 -8.845 174 HA2 GLY 22 2HA GLY 22 7.588 -8.219 -6.717 175 HA3 GLY 22 1HA GLY 22 9.192 -8.399 -7.401 176 H ALA 23 H ALA 23 8.470 -5.557 -8.651 177 HA ALA 23 HA ALA 23 10.152 -4.073 -7.008 178 HB1 ALA 23 3HB ALA 23 9.677 -3.477 -9.322 179 HB2 ALA 23 1HB ALA 23 9.409 -2.107 -8.247 180 HB3 ALA 23 2HB ALA 23 8.035 -3.017 -8.878 181 HA PRO 24 HA PRO 24 7.317 -3.133 -3.626 182 HB2 PRO 24 2HB PRO 24 9.093 -1.876 -2.036 183 HB3 PRO 24 1HB PRO 24 9.114 -3.630 -2.255 184 HG2 PRO 24 2HG PRO 24 10.818 -1.540 -3.572 185 HG3 PRO 24 1HG PRO 24 11.305 -3.096 -2.874 186 HD2 PRO 24 2HD PRO 24 10.923 -2.716 -5.549 187 HD3 PRO 24 1HD PRO 24 10.657 -4.279 -4.747 188 H VAL 25 H VAL 25 6.285 -1.256 -2.769 189 HA VAL 25 HA VAL 25 6.732 1.196 -4.372 190 HB VAL 25 HB VAL 25 4.079 0.372 -3.184 191 HG11 VAL 25 1HG1 VAL 25 3.156 1.909 -4.846 192 HG12 VAL 25 2HG1 VAL 25 4.780 2.257 -5.444 193 HG13 VAL 25 3HG1 VAL 25 4.323 2.730 -3.808 194 HG21 VAL 25 3HG2 VAL 25 4.801 -1.417 -4.681 195 HG22 VAL 25 1HG2 VAL 25 5.086 -0.244 -5.966 196 HG23 VAL 25 2HG2 VAL 25 3.449 -0.524 -5.371 197 H LYS 26 H LYS 26 6.442 3.243 -3.336 198 HA LYS 26 HA LYS 26 6.808 3.212 -0.436 199 HB2 LYS 26 2HB LYS 26 6.716 5.594 -2.308 200 HB3 LYS 26 1HB LYS 26 7.189 5.625 -0.620 201 HG2 LYS 26 2HG LYS 26 9.201 5.711 -1.775 202 HG3 LYS 26 1HG LYS 26 9.067 4.022 -1.296 203 HD2 LYS 26 2HD LYS 26 8.370 3.386 -3.508 204 HD3 LYS 26 1HD LYS 26 8.249 5.075 -4.004 205 HE2 LYS 26 2HE LYS 26 10.685 5.318 -3.657 206 HE3 LYS 26 1HE LYS 26 10.780 3.605 -3.248 207 HZ1 LYS 26 3HZ LYS 26 9.805 4.664 -5.843 208 HZ2 LYS 26 1HZ LYS 26 10.043 3.038 -5.446 209 HZ3 LYS 26 2HZ LYS 26 11.367 4.080 -5.573 210 H THR 27 H THR 27 5.514 4.579 0.989 211 HA THR 27 HA THR 27 2.766 4.144 0.823 212 HB THR 27 HB THR 27 4.132 6.355 2.385 213 HG1 THR 27 HG1 THR 27 4.340 4.853 4.016 214 HG21 THR 27 3HG2 THR 27 1.698 6.655 2.267 215 HG22 THR 27 1HG2 THR 27 2.202 6.197 3.894 216 HG23 THR 27 2HG2 THR 27 1.462 5.001 2.833 217 H ARG 28 H ARG 28 4.590 7.121 0.058 218 HA ARG 28 HA ARG 28 2.344 8.724 -0.497 219 HE ARG 28 HE ARG 28 6.199 8.493 -4.442 220 HB2 ARG 28 2HB ARG 28 3.849 10.362 -1.227 221 HB3 ARG 28 1HB ARG 28 4.790 9.424 -0.082 222 HG2 ARG 28 2HG ARG 28 6.338 9.539 -1.732 223 HG3 ARG 28 1HG ARG 28 5.467 8.128 -2.332 224 HD2 ARG 28 2HD ARG 28 4.004 9.926 -3.568 225 HD3 ARG 28 1HD ARG 28 5.412 10.957 -3.312 226 HH11 ARG 28 1HH1 ARG 28 4.647 11.453 -5.236 227 HH12 ARG 28 2HH1 ARG 28 5.022 11.330 -6.919 228 HH21 ARG 28 1HH2 ARG 28 6.603 8.284 -6.605 229 HH22 ARG 28 2HH2 ARG 28 6.110 9.533 -7.695 230 H ASP 29 H ASP 29 4.265 6.608 -2.597 231 HA ASP 29 HA ASP 29 3.097 7.353 -5.055 232 HB2 ASP 29 2HB ASP 29 4.375 4.751 -4.182 233 HB3 ASP 29 1HB ASP 29 3.907 5.105 -5.844 234 H ILE 30 H ILE 30 2.263 4.773 -2.754 235 HA ILE 30 HA ILE 30 0.089 3.701 -4.201 236 HB ILE 30 HB ILE 30 0.527 3.729 -1.202 237 HG12 ILE 30 2HG1 ILE 30 1.248 1.635 -3.279 238 HG13 ILE 30 1HG1 ILE 30 2.390 2.709 -2.478 239 HG21 ILE 30 1HG2 ILE 30 -1.270 1.979 -2.890 240 HG22 ILE 30 2HG2 ILE 30 -1.787 3.218 -1.746 241 HG23 ILE 30 3HG2 ILE 30 -0.962 1.772 -1.165 242 HD11 ILE 30 3HD1 ILE 30 2.442 0.501 -1.501 243 HD12 ILE 30 1HD1 ILE 30 0.717 0.591 -1.146 244 HD13 ILE 30 2HD1 ILE 30 1.846 1.677 -0.331 245 H ALA 31 H ALA 31 0.165 6.138 -1.589 246 HA ALA 31 HA ALA 31 -2.570 6.704 -1.466 247 HB1 ALA 31 3HB ALA 31 -0.941 7.508 0.180 248 HB2 ALA 31 1HB ALA 31 -1.930 8.829 -0.447 249 HB3 ALA 31 2HB ALA 31 -0.273 8.617 -1.020 250 H ASP 32 H ASP 32 -0.058 8.100 -3.542 251 HA ASP 32 HA ASP 32 -1.654 10.000 -4.865 252 HB2 ASP 32 2HB ASP 32 0.747 10.118 -4.991 253 HB3 ASP 32 1HB ASP 32 0.835 8.530 -5.746 254 H ALA 33 H ALA 33 -0.847 6.642 -5.760 255 HA ALA 33 HA ALA 33 -2.323 6.627 -8.185 256 HB1 ALA 33 3HB ALA 33 -0.516 5.038 -7.727 257 HB2 ALA 33 1HB ALA 33 -2.014 4.206 -8.140 258 HB3 ALA 33 2HB ALA 33 -1.489 4.294 -6.459 259 H ALA 34 H ALA 34 -3.235 6.089 -4.864 260 HA ALA 34 HA ALA 34 -5.847 4.997 -5.564 261 HB1 ALA 34 3HB ALA 34 -6.209 4.823 -3.163 262 HB2 ALA 34 1HB ALA 34 -4.721 5.723 -2.857 263 HB3 ALA 34 2HB ALA 34 -4.649 4.127 -3.606 264 H GLY 35 H GLY 35 -4.449 8.075 -4.934 265 HA2 GLY 35 2HA GLY 35 -5.370 10.189 -4.883 266 HA3 GLY 35 1HA GLY 35 -6.931 9.472 -5.250 267 H LEU 36 H LEU 36 -4.899 8.640 -2.500 268 HA LEU 36 HA LEU 36 -6.994 9.661 -0.679 269 HG LEU 36 HG LEU 36 -7.116 6.811 -1.806 270 HB2 LEU 36 2HB LEU 36 -5.145 7.292 -0.362 271 HB3 LEU 36 1HB LEU 36 -6.231 7.874 0.885 272 HD11 LEU 36 1HD1 LEU 36 -6.115 5.048 -0.447 273 HD12 LEU 36 2HD1 LEU 36 -7.859 4.833 -0.564 274 HD13 LEU 36 3HD1 LEU 36 -7.150 5.487 0.910 275 HD21 LEU 36 3HD2 LEU 36 -8.672 8.443 -0.840 276 HD22 LEU 36 1HD2 LEU 36 -8.704 7.530 0.670 277 HD23 LEU 36 2HD2 LEU 36 -9.356 6.817 -0.808 278 H SER 37 H SER 37 -5.953 9.700 1.687 279 HA SER 37 HA SER 37 -3.871 11.721 1.582 280 HG SER 37 HG SER 37 -6.076 13.039 3.546 281 HB2 SER 37 2HB SER 37 -5.375 10.571 3.953 282 HB3 SER 37 1HB SER 37 -4.313 11.978 3.995 283 H ILE 38 H ILE 38 -1.831 11.572 2.513 284 HA ILE 38 HA ILE 38 -0.476 9.175 2.096 285 HB ILE 38 HB ILE 38 0.458 11.473 3.832 286 HG12 ILE 38 2HG1 ILE 38 -0.239 12.233 1.587 287 HG13 ILE 38 1HG1 ILE 38 1.505 12.363 1.795 288 HG21 ILE 38 1HG2 ILE 38 1.820 9.460 4.109 289 HG22 ILE 38 2HG2 ILE 38 2.721 10.706 3.248 290 HG23 ILE 38 3HG2 ILE 38 2.031 9.345 2.363 291 HD11 ILE 38 3HD1 ILE 38 0.956 11.545 -0.411 292 HD12 ILE 38 1HD1 ILE 38 0.054 10.199 0.284 293 HD13 ILE 38 2HD1 ILE 38 1.800 10.299 0.508 294 H TYR 39 H TYR 39 -1.101 10.702 5.285 295 HA TYR 39 HA TYR 39 -0.013 8.621 6.825 296 HD1 TYR 39 HD2 TYR 39 1.177 9.541 8.930 297 HD2 TYR 39 HD1 TYR 39 -3.003 9.597 9.753 298 HE1 TYR 39 HE2 TYR 39 1.619 8.735 11.209 299 HE2 TYR 39 HE1 TYR 39 -2.567 8.789 12.035 300 HH TYR 39 HH TYR 39 -0.883 7.642 13.304 301 HB2 TYR 39 2HB TYR 39 -0.544 10.976 7.592 302 HB3 TYR 39 1HB TYR 39 -2.227 10.483 7.719 303 H GLN 40 H GLN 40 -3.339 9.171 5.734 304 HA GLN 40 HA GLN 40 -4.624 7.115 7.121 305 HB2 GLN 40 2HB GLN 40 -5.807 8.862 5.842 306 HB3 GLN 40 1HB GLN 40 -5.220 8.166 4.340 307 HG2 GLN 40 2HG GLN 40 -7.484 7.493 4.644 308 HG3 GLN 40 1HG GLN 40 -6.457 6.081 4.886 309 HE21 GLN 40 1HE2 GLN 40 -8.611 8.334 6.371 310 HE22 GLN 40 2HE2 GLN 40 -8.781 7.501 7.874 311 H VAL 41 H VAL 41 -3.262 7.030 3.817 312 HA VAL 41 HA VAL 41 -3.622 4.301 3.310 313 HB VAL 41 HB VAL 41 -1.514 6.209 2.279 314 HG11 VAL 41 1HG1 VAL 41 -0.649 3.959 2.030 315 HG12 VAL 41 2HG1 VAL 41 -1.153 4.571 0.454 316 HG13 VAL 41 3HG1 VAL 41 -2.170 3.416 1.318 317 HG21 VAL 41 3HG2 VAL 41 -3.825 6.787 1.710 318 HG22 VAL 41 1HG2 VAL 41 -4.072 5.172 1.048 319 HG23 VAL 41 2HG2 VAL 41 -2.930 6.276 0.280 320 H ARG 42 H ARG 42 -0.840 5.992 4.727 321 HA ARG 42 HA ARG 42 0.918 3.901 5.124 322 HE ARG 42 HE ARG 42 3.749 5.105 9.337 323 HB2 ARG 42 2HB ARG 42 1.536 6.186 5.601 324 HB3 ARG 42 1HB ARG 42 0.333 6.297 6.875 325 HG2 ARG 42 2HG ARG 42 1.584 4.709 8.232 326 HG3 ARG 42 1HG ARG 42 2.774 4.524 6.940 327 HD2 ARG 42 2HD ARG 42 3.453 6.820 7.153 328 HD3 ARG 42 1HD ARG 42 2.143 7.153 8.286 329 HH11 ARG 42 1HH1 ARG 42 3.943 8.481 8.638 330 HH12 ARG 42 2HH1 ARG 42 5.060 8.790 9.917 331 HH21 ARG 42 1HH2 ARG 42 5.173 5.515 10.961 332 HH22 ARG 42 2HH2 ARG 42 5.748 7.125 11.228 333 H LEU 43 H LEU 43 -1.879 4.804 7.108 334 HA LEU 43 HA LEU 43 -1.450 2.931 9.188 335 HG LEU 43 HG LEU 43 -2.396 5.862 9.038 336 HB2 LEU 43 2HB LEU 43 -4.022 4.178 8.205 337 HB3 LEU 43 1HB LEU 43 -3.847 3.292 9.711 338 HD11 LEU 43 1HD1 LEU 43 -4.788 6.236 9.313 339 HD12 LEU 43 2HD1 LEU 43 -3.875 6.913 10.663 340 HD13 LEU 43 3HD1 LEU 43 -4.749 5.393 10.864 341 HD21 LEU 43 3HD2 LEU 43 -1.732 5.865 11.383 342 HD22 LEU 43 1HD2 LEU 43 -1.143 4.416 10.568 343 HD23 LEU 43 2HD2 LEU 43 -2.547 4.320 11.631 344 H TYR 44 H TYR 44 -3.411 2.719 6.199 345 HA TYR 44 HA TYR 44 -4.400 0.106 6.632 346 HD1 TYR 44 HD2 TYR 44 -6.793 0.098 5.831 347 HD2 TYR 44 HD1 TYR 44 -5.075 3.491 3.912 348 HE1 TYR 44 HE2 TYR 44 -8.901 1.330 6.122 349 HE2 TYR 44 HE1 TYR 44 -7.179 4.718 4.193 350 HH TYR 44 HH TYR 44 -9.450 4.411 4.588 351 HB2 TYR 44 2HB TYR 44 -3.840 1.541 4.024 352 HB3 TYR 44 1HB TYR 44 -4.714 0.020 4.149 353 H LEU 45 H LEU 45 -1.434 1.253 5.088 354 HA LEU 45 HA LEU 45 -0.518 -1.255 4.160 355 HG LEU 45 HG LEU 45 -0.588 1.663 3.115 356 HB2 LEU 45 2HB LEU 45 1.070 1.203 4.917 357 HB3 LEU 45 1HB LEU 45 1.678 -0.149 3.977 358 HD11 LEU 45 1HD1 LEU 45 2.286 1.609 2.207 359 HD12 LEU 45 2HD1 LEU 45 1.517 2.877 3.162 360 HD13 LEU 45 3HD1 LEU 45 0.997 2.586 1.502 361 HD21 LEU 45 3HD2 LEU 45 -0.757 -0.591 2.196 362 HD22 LEU 45 1HD2 LEU 45 0.906 -0.490 1.615 363 HD23 LEU 45 2HD2 LEU 45 -0.331 0.571 0.941 364 H GLU 46 H GLU 46 0.160 0.531 7.168 365 HA GLU 46 HA GLU 46 1.966 -1.364 8.231 366 HB2 GLU 46 2HB GLU 46 0.573 1.036 9.226 367 HB3 GLU 46 1HB GLU 46 0.962 -0.145 10.470 368 HG2 GLU 46 2HG GLU 46 2.941 1.048 8.529 369 HG3 GLU 46 1HG GLU 46 2.709 1.564 10.199 370 H GLN 47 H GLN 47 -1.577 -1.071 8.594 371 HA GLN 47 HA GLN 47 -1.783 -3.126 10.552 372 HB2 GLN 47 2HB GLN 47 -4.156 -3.149 10.124 373 HB3 GLN 47 1HB GLN 47 -3.599 -1.482 10.108 374 HG2 GLN 47 2HG GLN 47 -3.630 -1.488 7.668 375 HG3 GLN 47 1HG GLN 47 -4.166 -3.166 7.673 376 HE21 GLN 47 1HE2 GLN 47 -6.276 -3.631 8.351 377 HE22 GLN 47 2HE2 GLN 47 -7.500 -2.421 8.428 378 H LEU 48 H LEU 48 -1.860 -3.180 7.002 379 HA LEU 48 HA LEU 48 -2.303 -5.979 6.740 380 HG LEU 48 HG LEU 48 -3.410 -3.643 5.136 381 HB2 LEU 48 2HB LEU 48 -0.982 -3.983 4.901 382 HB3 LEU 48 1HB LEU 48 -1.260 -5.660 4.462 383 HD11 LEU 48 1HD1 LEU 48 -2.596 -4.847 2.492 384 HD12 LEU 48 2HD1 LEU 48 -2.341 -3.177 3.000 385 HD13 LEU 48 3HD1 LEU 48 -3.979 -3.785 2.764 386 HD21 LEU 48 3HD2 LEU 48 -4.972 -5.380 4.407 387 HD22 LEU 48 1HD2 LEU 48 -4.028 -5.918 5.793 388 HD23 LEU 48 2HD2 LEU 48 -3.632 -6.502 4.177 389 H HIS 49 H HIS 49 0.615 -4.006 7.007 390 HA HIS 49 HA HIS 49 2.490 -6.127 6.787 391 HD1 HIS 49 HD1 HIS 49 4.790 -2.858 9.244 392 HD2 HIS 49 HD2 HIS 49 5.172 -6.255 6.880 393 HE1 HIS 49 HE1 HIS 49 7.099 -3.730 9.688 394 HE2 HIS 49 HE2 HIS 49 7.222 -5.896 8.416 395 HB2 HIS 49 2HB HIS 49 3.146 -3.813 6.437 396 HB3 HIS 49 1HB HIS 49 2.688 -3.398 8.083 397 H ASP 50 H ASP 50 0.434 -5.060 9.346 398 HA ASP 50 HA ASP 50 1.910 -6.352 11.471 399 HB2 ASP 50 2HB ASP 50 0.600 -4.319 11.897 400 HB3 ASP 50 1HB ASP 50 -0.874 -5.152 11.418 401 H VAL 51 H VAL 51 -1.212 -6.956 9.818 402 HA VAL 51 HA VAL 51 -1.739 -9.371 11.237 403 HB VAL 51 HB VAL 51 -3.570 -9.735 9.645 404 HG11 VAL 51 1HG1 VAL 51 -3.937 -8.234 11.530 405 HG12 VAL 51 2HG1 VAL 51 -4.843 -7.687 10.122 406 HG13 VAL 51 3HG1 VAL 51 -3.352 -6.867 10.582 407 HG21 VAL 51 3HG2 VAL 51 -2.461 -8.980 7.597 408 HG22 VAL 51 1HG2 VAL 51 -2.481 -7.319 8.188 409 HG23 VAL 51 2HG2 VAL 51 -3.997 -8.145 7.829 410 H GLY 52 H GLY 52 -0.078 -8.728 8.190 411 HA2 GLY 52 2HA GLY 52 1.647 -10.400 7.616 412 HA3 GLY 52 1HA GLY 52 0.464 -11.640 7.992 413 H VAL 53 H VAL 53 0.070 -8.700 6.024 414 HA VAL 53 HA VAL 53 -0.455 -10.415 3.669 415 HB VAL 53 HB VAL 53 -1.595 -7.662 4.238 416 HG11 VAL 53 1HG1 VAL 53 -2.133 -9.556 1.940 417 HG12 VAL 53 2HG1 VAL 53 -1.270 -8.021 1.844 418 HG13 VAL 53 3HG1 VAL 53 -2.987 -8.043 2.246 419 HG21 VAL 53 3HG2 VAL 53 -3.752 -8.833 4.445 420 HG22 VAL 53 1HG2 VAL 53 -2.595 -9.347 5.676 421 HG23 VAL 53 2HG2 VAL 53 -2.917 -10.379 4.281 422 H LEU 54 H LEU 54 1.051 -7.416 4.797 423 HA LEU 54 HA LEU 54 2.514 -7.218 2.238 424 HG LEU 54 HG LEU 54 0.001 -5.411 2.910 425 HB2 LEU 54 2HB LEU 54 1.974 -5.085 4.313 426 HB3 LEU 54 1HB LEU 54 2.973 -4.858 2.892 427 HD11 LEU 54 1HD1 LEU 54 0.571 -3.148 3.612 428 HD12 LEU 54 2HD1 LEU 54 -0.186 -3.140 2.022 429 HD13 LEU 54 3HD1 LEU 54 1.559 -2.931 2.167 430 HD21 LEU 54 3HD2 LEU 54 1.877 -4.970 0.580 431 HD22 LEU 54 1HD2 LEU 54 0.116 -5.041 0.480 432 HD23 LEU 54 2HD2 LEU 54 1.026 -6.466 0.976 433 H GLU 55 H GLU 55 4.683 -7.382 2.212 434 HA GLU 55 HA GLU 55 6.150 -7.554 4.767 435 HB2 GLU 55 2HB GLU 55 6.394 -9.432 3.121 436 HB3 GLU 55 1HB GLU 55 7.076 -8.288 1.971 437 HG2 GLU 55 2HG GLU 55 8.855 -7.802 3.716 438 HG3 GLU 55 1HG GLU 55 8.240 -9.206 4.586 439 H LYS 56 H LYS 56 7.714 -6.026 5.285 440 HA LYS 56 HA LYS 56 7.873 -3.715 3.489 441 HB2 LYS 56 2HB LYS 56 8.491 -2.405 5.305 442 HB3 LYS 56 1HB LYS 56 7.417 -3.579 6.053 443 HG2 LYS 56 2HG LYS 56 9.335 -4.851 6.856 444 HG3 LYS 56 1HG LYS 56 10.434 -3.726 6.058 445 HD2 LYS 56 2HD LYS 56 9.454 -1.903 7.486 446 HD3 LYS 56 1HD LYS 56 8.582 -3.155 8.374 447 HE2 LYS 56 2HE LYS 56 11.575 -2.858 8.115 448 HE3 LYS 56 1HE LYS 56 10.611 -2.594 9.564 449 HZ1 LYS 56 3HZ LYS 56 11.710 -4.733 9.630 450 HZ2 LYS 56 1HZ LYS 56 10.985 -5.196 8.174 451 HZ3 LYS 56 2HZ LYS 56 10.036 -4.951 9.549 452 H VAL 57 H VAL 57 9.746 -2.960 2.602 453 HA VAL 57 HA VAL 57 12.154 -4.632 2.845 454 HB VAL 57 HB VAL 57 11.649 -2.466 0.792 455 HG11 VAL 57 1HG1 VAL 57 13.990 -3.077 1.081 456 HG12 VAL 57 2HG1 VAL 57 13.388 -3.616 -0.489 457 HG13 VAL 57 3HG1 VAL 57 13.589 -4.777 0.824 458 HG21 VAL 57 3HG2 VAL 57 9.891 -4.149 0.583 459 HG22 VAL 57 1HG2 VAL 57 11.107 -5.426 0.507 460 HG23 VAL 57 2HG2 VAL 57 11.003 -4.225 -0.783 461 H ASN 58 H ASN 58 14.133 -3.694 3.408 462 HA ASN 58 HA ASN 58 15.579 -2.281 4.448 463 HB2 ASN 58 2HB ASN 58 13.497 -0.121 4.029 464 HB3 ASN 58 1HB ASN 58 15.147 0.135 4.579 465 HD21 ASN 58 1HD2 ASN 58 13.793 1.189 2.246 466 HD22 ASN 58 2HD2 ASN 58 14.753 0.714 0.893 467 H ALA 59 H ALA 59 15.832 -1.079 6.539 468 HA ALA 59 HA ALA 59 14.501 -2.486 8.597 469 HB1 ALA 59 3HB ALA 59 16.809 -1.674 8.785 470 HB2 ALA 59 1HB ALA 59 15.811 -1.134 10.138 471 HB3 ALA 59 2HB ALA 59 16.215 -0.012 8.835 472 H GLY 60 H GLY 60 13.586 0.404 6.978 473 HA2 GLY 60 2HA GLY 60 11.623 1.626 7.237 474 HA3 GLY 60 1HA GLY 60 11.262 0.696 8.681 475 H LYS 61 H LYS 61 13.641 1.271 10.140 476 HA LYS 61 HA LYS 61 13.120 3.929 11.087 477 HB2 LYS 61 2HB LYS 61 15.397 2.053 11.780 478 HB3 LYS 61 1HB LYS 61 14.965 3.513 12.659 479 HG2 LYS 61 2HG LYS 61 12.759 2.488 13.178 480 HG3 LYS 61 1HG LYS 61 13.309 1.004 12.397 481 HD2 LYS 61 2HD LYS 61 13.595 0.831 14.805 482 HD3 LYS 61 1HD LYS 61 15.171 0.863 14.010 483 HE2 LYS 61 2HE LYS 61 15.379 3.256 14.536 484 HE3 LYS 61 1HE LYS 61 13.811 3.213 15.339 485 HZ1 LYS 61 3HZ LYS 61 15.578 3.070 16.941 486 HZ2 LYS 61 1HZ LYS 61 16.243 1.723 16.164 487 HZ3 LYS 61 2HZ LYS 61 14.734 1.608 16.913 488 H GLY 62 H GLY 62 13.924 5.763 10.248 489 HA2 GLY 62 2HA GLY 62 15.429 7.251 9.302 490 HA3 GLY 62 1HA GLY 62 16.649 5.988 9.341 491 H VAL 63 H VAL 63 16.016 4.110 7.710 492 HA VAL 63 HA VAL 63 16.015 5.270 5.084 493 HB VAL 63 HB VAL 63 16.232 2.966 4.266 494 HG11 VAL 63 1HG1 VAL 63 17.972 3.526 6.673 495 HG12 VAL 63 2HG1 VAL 63 18.240 4.117 5.032 496 HG13 VAL 63 3HG1 VAL 63 18.348 2.391 5.373 497 HG21 VAL 63 3HG2 VAL 63 15.826 2.162 7.154 498 HG22 VAL 63 1HG2 VAL 63 16.299 1.077 5.842 499 HG23 VAL 63 2HG2 VAL 63 14.715 1.853 5.817 500 HA PRO 64 HA PRO 64 11.709 5.136 4.093 501 HB2 PRO 64 2HB PRO 64 11.735 4.491 1.441 502 HB3 PRO 64 1HB PRO 64 12.212 6.077 2.058 503 HG2 PRO 64 2HG PRO 64 13.945 3.749 1.288 504 HG3 PRO 64 1HG PRO 64 14.148 5.468 0.894 505 HD2 PRO 64 2HD PRO 64 15.540 4.293 2.880 506 HD3 PRO 64 1HD PRO 64 14.989 5.977 3.001 507 H GLY 65 H GLY 65 10.374 3.601 4.860 508 HA2 GLY 65 2HA GLY 65 10.799 0.790 4.471 509 HA3 GLY 65 1HA GLY 65 9.398 1.536 5.224 510 H LEU 66 H LEU 66 10.537 -0.108 2.510 511 HA LEU 66 HA LEU 66 8.461 0.882 0.702 512 HG LEU 66 HG LEU 66 11.740 0.740 0.638 513 HB2 LEU 66 2HB LEU 66 10.470 -1.317 0.211 514 HB3 LEU 66 1HB LEU 66 9.502 -0.486 -0.987 515 HD11 LEU 66 1HD1 LEU 66 12.551 -0.795 -1.066 516 HD12 LEU 66 2HD1 LEU 66 12.917 0.874 -1.501 517 HD13 LEU 66 3HD1 LEU 66 11.586 0.028 -2.293 518 HD21 LEU 66 3HD2 LEU 66 10.036 1.958 -1.542 519 HD22 LEU 66 1HD2 LEU 66 11.432 2.717 -0.770 520 HD23 LEU 66 2HD2 LEU 66 9.981 2.373 0.173 521 H TRP 67 H TRP 67 6.745 -0.369 -0.075 522 HA TRP 67 HA TRP 67 6.048 -2.666 1.635 523 HD1 TRP 67 HD1 TRP 67 4.647 1.471 0.724 524 HE1 TRP 67 HE1 TRP 67 4.643 2.686 2.990 525 HE3 TRP 67 HE3 TRP 67 4.312 -2.586 3.822 526 HZ2 TRP 67 HZ2 TRP 67 4.526 2.017 5.728 527 HZ3 TRP 67 HZ3 TRP 67 4.269 -2.207 6.254 528 HH2 TRP 67 HH2 TRP 67 4.374 0.046 7.184 529 HB2 TRP 67 2HB TRP 67 4.171 -0.969 -0.029 530 HB3 TRP 67 1HB TRP 67 3.734 -2.134 1.219 531 H ARG 68 H ARG 68 5.957 -4.658 0.760 532 HA ARG 68 HA ARG 68 5.034 -4.932 -2.008 533 HE ARG 68 HE ARG 68 9.610 -8.194 0.387 534 HB2 ARG 68 2HB ARG 68 6.737 -6.531 -2.612 535 HB3 ARG 68 1HB ARG 68 7.516 -5.054 -2.071 536 HG2 ARG 68 2HG ARG 68 7.996 -6.101 0.096 537 HG3 ARG 68 1HG ARG 68 7.206 -7.582 -0.447 538 HD2 ARG 68 2HD ARG 68 8.887 -7.582 -2.375 539 HD3 ARG 68 1HD ARG 68 9.757 -6.343 -1.474 540 HH11 ARG 68 1HH1 ARG 68 10.371 -8.567 -2.963 541 HH12 ARG 68 2HH1 ARG 68 11.254 -10.029 -2.700 542 HH21 ARG 68 1HH2 ARG 68 10.747 -10.053 0.693 543 HH22 ARG 68 2HH2 ARG 68 11.470 -10.855 -0.657 544 H LEU 69 H LEU 69 3.328 -6.255 -2.052 545 HA LEU 69 HA LEU 69 2.593 -7.888 0.151 546 HG LEU 69 HG LEU 69 2.075 -6.876 -3.383 547 HB2 LEU 69 2HB LEU 69 0.787 -8.733 -1.374 548 HB3 LEU 69 1HB LEU 69 0.831 -6.999 -1.149 549 HD11 LEU 69 1HD1 LEU 69 1.659 -8.721 -4.948 550 HD12 LEU 69 2HD1 LEU 69 1.032 -9.699 -3.619 551 HD13 LEU 69 3HD1 LEU 69 2.723 -9.197 -3.627 552 HD21 LEU 69 3HD2 LEU 69 0.004 -6.952 -4.657 553 HD22 LEU 69 1HD2 LEU 69 -0.248 -6.196 -3.084 554 HD23 LEU 69 2HD2 LEU 69 -0.778 -7.858 -3.359 555 H LEU 70 H LEU 70 2.155 -10.229 0.047 556 HA LEU 70 HA LEU 70 3.932 -11.717 -1.757 557 HG LEU 70 HG LEU 70 2.970 -12.556 1.809 558 HB2 LEU 70 2HB LEU 70 4.799 -13.083 0.089 559 HB3 LEU 70 1HB LEU 70 5.273 -11.403 0.221 560 HD11 LEU 70 1HD1 LEU 70 4.532 -12.769 3.691 561 HD12 LEU 70 2HD1 LEU 70 5.872 -12.339 2.627 562 HD13 LEU 70 3HD1 LEU 70 4.975 -13.834 2.356 563 HD21 LEU 70 3HD2 LEU 70 3.387 -10.627 3.263 564 HD22 LEU 70 1HD2 LEU 70 3.021 -10.115 1.617 565 HD23 LEU 70 2HD2 LEU 70 4.688 -10.098 2.195 566 H GLU 71 H GLU 71 1.064 -11.434 -1.743 567 HA GLU 71 HA GLU 71 -0.218 -13.711 -0.646 568 HB2 GLU 71 2HB GLU 71 -0.954 -11.863 -2.917 569 HB3 GLU 71 1HB GLU 71 -1.970 -13.223 -2.460 570 HG2 GLU 71 2HG GLU 71 -2.027 -12.228 -0.128 571 HG3 GLU 71 1HG GLU 71 -1.285 -10.790 -0.830 Start of MODEL 13 1 HA MET 1 HA MET 1 -17.555 4.708 2.085 2 H1 MET 1 1H MET 1 -18.633 4.606 4.236 3 H2 MET 1 2H MET 1 -17.281 5.617 4.283 4 H3 MET 1 3H MET 1 -17.197 4.070 4.959 5 HB2 MET 1 2HB MET 1 -15.177 3.662 3.636 6 HB3 MET 1 1HB MET 1 -15.293 3.573 1.885 7 HG2 MET 1 2HG MET 1 -15.441 6.020 1.778 8 HG3 MET 1 1HG MET 1 -15.297 6.094 3.536 9 HE1 MET 1 3HE MET 1 -13.253 7.849 3.052 10 HE2 MET 1 1HE MET 1 -13.410 7.588 1.315 11 HE3 MET 1 2HE MET 1 -11.834 7.424 2.093 12 H SER 2 H SER 2 -18.595 3.176 0.987 13 HA SER 2 HA SER 2 -18.816 0.452 2.044 14 HG SER 2 HG SER 2 -20.316 1.304 -1.462 15 HB2 SER 2 2HB SER 2 -20.454 0.108 0.242 16 HB3 SER 2 1HB SER 2 -20.848 1.560 1.159 17 H GLU 3 H GLU 3 -17.044 2.251 -0.275 18 HA GLU 3 HA GLU 3 -16.375 0.271 -2.162 19 HB2 GLU 3 2HB GLU 3 -14.765 2.668 -1.248 20 HB3 GLU 3 1HB GLU 3 -14.472 1.747 -2.719 21 HG2 GLU 3 2HG GLU 3 -16.518 2.475 -3.686 22 HG3 GLU 3 1HG GLU 3 -17.069 3.169 -2.160 23 H SER 4 H SER 4 -14.863 -1.321 -2.212 24 HA SER 4 HA SER 4 -13.487 -2.103 0.186 25 HG SER 4 HG SER 4 -14.546 -4.636 -0.739 26 HB2 SER 4 2HB SER 4 -13.176 -3.174 -2.637 27 HB3 SER 4 1HB SER 4 -12.591 -3.952 -1.166 28 H ILE 5 H ILE 5 -12.426 0.161 0.217 29 HA ILE 5 HA ILE 5 -10.397 0.877 -1.576 30 HB ILE 5 HB ILE 5 -11.381 2.492 -0.035 31 HG12 ILE 5 2HG1 ILE 5 -9.291 3.623 0.716 32 HG13 ILE 5 1HG1 ILE 5 -8.393 2.152 0.359 33 HG21 ILE 5 1HG2 ILE 5 -11.664 1.082 1.923 34 HG22 ILE 5 2HG2 ILE 5 -10.770 2.543 2.340 35 HG23 ILE 5 3HG2 ILE 5 -9.914 1.013 2.151 36 HD11 ILE 5 3HD1 ILE 5 -8.148 3.791 -1.413 37 HD12 ILE 5 1HD1 ILE 5 -9.897 3.832 -1.639 38 HD13 ILE 5 2HD1 ILE 5 -8.996 2.360 -1.999 39 H VAL 6 H VAL 6 -10.241 -1.060 1.391 40 HA VAL 6 HA VAL 6 -7.456 -1.286 1.627 41 HB VAL 6 HB VAL 6 -9.504 -3.415 2.306 42 HG11 VAL 6 1HG1 VAL 6 -7.241 -4.294 2.316 43 HG12 VAL 6 2HG1 VAL 6 -7.837 -4.157 3.970 44 HG13 VAL 6 3HG1 VAL 6 -6.698 -2.965 3.340 45 HG21 VAL 6 3HG2 VAL 6 -10.097 -1.297 3.360 46 HG22 VAL 6 1HG2 VAL 6 -8.463 -1.139 4.008 47 HG23 VAL 6 2HG2 VAL 6 -9.513 -2.441 4.569 48 H THR 7 H THR 7 -9.765 -3.358 -0.114 49 HA THR 7 HA THR 7 -7.918 -5.179 -1.204 50 HB THR 7 HB THR 7 -10.523 -4.278 -2.470 51 HG1 THR 7 HG1 THR 7 -11.229 -6.304 -1.290 52 HG21 THR 7 3HG2 THR 7 -8.992 -6.880 -2.710 53 HG22 THR 7 1HG2 THR 7 -9.086 -5.626 -3.950 54 HG23 THR 7 2HG2 THR 7 -10.537 -6.511 -3.479 55 H LYS 8 H LYS 8 -9.130 -2.069 -2.407 56 HA LYS 8 HA LYS 8 -7.888 -2.098 -4.925 57 HB2 LYS 8 2HB LYS 8 -9.633 -0.479 -4.318 58 HB3 LYS 8 1HB LYS 8 -8.543 0.273 -3.157 59 HG2 LYS 8 2HG LYS 8 -7.069 0.986 -4.945 60 HG3 LYS 8 1HG LYS 8 -8.074 0.155 -6.137 61 HD2 LYS 8 2HD LYS 8 -9.958 1.634 -5.565 62 HD3 LYS 8 1HD LYS 8 -8.939 2.471 -4.390 63 HE2 LYS 8 2HE LYS 8 -7.461 3.232 -6.158 64 HE3 LYS 8 1HE LYS 8 -8.361 2.297 -7.354 65 HZ1 LYS 8 3HZ LYS 8 -10.300 3.674 -6.902 66 HZ2 LYS 8 1HZ LYS 8 -8.992 4.613 -7.412 67 HZ3 LYS 8 2HZ LYS 8 -9.422 4.576 -5.778 68 H ILE 9 H ILE 9 -6.743 -0.795 -1.809 69 HA ILE 9 HA ILE 9 -4.257 0.175 -2.605 70 HB ILE 9 HB ILE 9 -5.070 -1.095 0.021 71 HG12 ILE 9 2HG1 ILE 9 -4.775 1.810 -0.804 72 HG13 ILE 9 1HG1 ILE 9 -6.302 0.952 -0.627 73 HG21 ILE 9 1HG2 ILE 9 -3.093 -0.001 1.005 74 HG22 ILE 9 2HG2 ILE 9 -2.576 0.494 -0.608 75 HG23 ILE 9 3HG2 ILE 9 -2.646 -1.220 -0.192 76 HD11 ILE 9 3HD1 ILE 9 -4.330 1.537 1.571 77 HD12 ILE 9 1HD1 ILE 9 -5.843 0.650 1.756 78 HD13 ILE 9 2HD1 ILE 9 -5.872 2.352 1.293 79 H ILE 10 H ILE 10 -5.051 -3.102 -1.406 80 HA ILE 10 HA ILE 10 -2.515 -4.251 -1.749 81 HB ILE 10 HB ILE 10 -5.218 -5.595 -2.021 82 HG12 ILE 10 2HG1 ILE 10 -3.400 -5.330 0.397 83 HG13 ILE 10 1HG1 ILE 10 -4.891 -4.430 0.145 84 HG21 ILE 10 1HG2 ILE 10 -2.508 -6.820 -1.470 85 HG22 ILE 10 2HG2 ILE 10 -3.421 -6.959 -2.974 86 HG23 ILE 10 3HG2 ILE 10 -4.051 -7.678 -1.491 87 HD11 ILE 10 3HD1 ILE 10 -5.210 -6.286 1.683 88 HD12 ILE 10 1HD1 ILE 10 -4.674 -7.421 0.446 89 HD13 ILE 10 2HD1 ILE 10 -6.166 -6.508 0.217 90 H SER 11 H SER 11 -5.209 -3.919 -4.039 91 HA SER 11 HA SER 11 -4.059 -5.318 -6.204 92 HG SER 11 HG SER 11 -4.923 -3.783 -8.323 93 HB2 SER 11 2HB SER 11 -6.450 -4.702 -6.121 94 HB3 SER 11 1HB SER 11 -6.016 -3.001 -6.292 95 H ILE 12 H ILE 12 -3.770 -1.949 -5.165 96 HA ILE 12 HA ILE 12 -2.272 -0.990 -7.373 97 HB ILE 12 HB ILE 12 -2.253 -0.049 -4.490 98 HG12 ILE 12 2HG1 ILE 12 -3.755 1.099 -6.863 99 HG13 ILE 12 1HG1 ILE 12 -4.474 0.003 -5.690 100 HG21 ILE 12 1HG2 ILE 12 -0.263 0.717 -5.674 101 HG22 ILE 12 2HG2 ILE 12 -1.361 2.063 -5.365 102 HG23 ILE 12 3HG2 ILE 12 -1.267 1.354 -6.979 103 HD11 ILE 12 3HD1 ILE 12 -5.046 2.315 -5.224 104 HD12 ILE 12 1HD1 ILE 12 -3.334 2.724 -5.082 105 HD13 ILE 12 2HD1 ILE 12 -4.079 1.625 -3.919 106 H VAL 13 H VAL 13 -1.305 -2.350 -4.238 107 HA VAL 13 HA VAL 13 1.470 -2.231 -4.509 108 HB VAL 13 HB VAL 13 -0.174 -4.370 -3.118 109 HG11 VAL 13 1HG1 VAL 13 2.102 -5.145 -3.459 110 HG12 VAL 13 2HG1 VAL 13 1.846 -4.762 -1.755 111 HG13 VAL 13 3HG1 VAL 13 2.740 -3.643 -2.786 112 HG21 VAL 13 3HG2 VAL 13 -0.666 -2.119 -2.306 113 HG22 VAL 13 1HG2 VAL 13 1.053 -1.824 -2.046 114 HG23 VAL 13 2HG2 VAL 13 0.212 -3.045 -1.089 115 H GLN 14 H GLN 14 -0.756 -4.841 -5.485 116 HA GLN 14 HA GLN 14 1.141 -6.568 -6.639 117 HB2 GLN 14 2HB GLN 14 -1.238 -7.139 -6.109 118 HB3 GLN 14 1HB GLN 14 -1.746 -6.164 -7.480 119 HG2 GLN 14 2HG GLN 14 -0.452 -7.665 -8.974 120 HG3 GLN 14 1HG GLN 14 -0.072 -8.675 -7.579 121 HE21 GLN 14 1HE2 GLN 14 -1.131 -10.478 -8.374 122 HE22 GLN 14 2HE2 GLN 14 -2.850 -10.567 -8.516 123 H GLU 15 H GLU 15 -0.864 -4.035 -8.131 124 HA GLU 15 HA GLU 15 -0.096 -4.294 -10.789 125 HB2 GLU 15 2HB GLU 15 -1.961 -2.905 -9.893 126 HB3 GLU 15 1HB GLU 15 -0.791 -1.743 -9.300 127 HG2 GLU 15 2HG GLU 15 -0.910 -2.442 -12.214 128 HG3 GLU 15 1HG GLU 15 -2.042 -1.289 -11.516 129 H ARG 16 H ARG 16 1.310 -2.088 -8.353 130 HA ARG 16 HA ARG 16 3.310 -0.967 -9.932 131 HE ARG 16 HE ARG 16 1.734 0.519 -10.085 132 HB2 ARG 16 2HB ARG 16 3.308 -1.516 -6.961 133 HB3 ARG 16 1HB ARG 16 4.492 -0.503 -7.772 134 HG2 ARG 16 2HG ARG 16 1.526 0.040 -7.788 135 HG3 ARG 16 1HG ARG 16 2.648 0.724 -6.615 136 HD2 ARG 16 2HD ARG 16 2.386 2.387 -8.254 137 HD3 ARG 16 1HD ARG 16 3.941 1.638 -8.606 138 HH11 ARG 16 1HH1 ARG 16 4.232 2.891 -10.044 139 HH12 ARG 16 2HH1 ARG 16 4.094 3.217 -11.736 140 HH21 ARG 16 1HH2 ARG 16 1.617 0.881 -12.258 141 HH22 ARG 16 2HH2 ARG 16 2.647 2.070 -12.985 142 H GLN 17 H GLN 17 3.453 -3.958 -7.980 143 HA GLN 17 HA GLN 17 6.213 -4.455 -8.504 144 HB2 GLN 17 2HB GLN 17 4.027 -6.338 -7.594 145 HB3 GLN 17 1HB GLN 17 5.743 -6.732 -7.617 146 HG2 GLN 17 2HG GLN 17 6.195 -4.965 -6.012 147 HG3 GLN 17 1HG GLN 17 4.496 -4.496 -6.023 148 HE21 GLN 17 1HE2 GLN 17 4.187 -4.868 -3.869 149 HE22 GLN 17 2HE2 GLN 17 4.172 -6.443 -3.173 150 H ASN 18 H ASN 18 3.235 -5.370 -10.167 151 HA ASN 18 HA ASN 18 4.304 -7.204 -12.010 152 HB2 ASN 18 2HB ASN 18 2.038 -5.215 -12.314 153 HB3 ASN 18 1HB ASN 18 2.401 -6.474 -13.491 154 HD21 ASN 18 1HD2 ASN 18 0.049 -5.988 -11.768 155 HD22 ASN 18 2HD2 ASN 18 -0.197 -7.470 -10.924 156 H MET 19 H MET 19 4.343 -3.688 -11.944 157 HA MET 19 HA MET 19 5.311 -3.200 -14.540 158 HB2 MET 19 2HB MET 19 5.706 -1.644 -11.976 159 HB3 MET 19 1HB MET 19 6.197 -1.055 -13.560 160 HG2 MET 19 2HG MET 19 3.382 -1.751 -12.736 161 HG3 MET 19 1HG MET 19 4.052 -0.124 -12.883 162 HE1 MET 19 3HE MET 19 4.774 0.083 -16.745 163 HE2 MET 19 1HE MET 19 5.889 -0.437 -15.485 164 HE3 MET 19 2HE MET 19 4.837 0.951 -15.211 165 H ASP 20 H ASP 20 7.031 -4.099 -11.588 166 HA ASP 20 HA ASP 20 9.279 -5.014 -13.136 167 HB2 ASP 20 2HB ASP 20 9.715 -2.525 -12.768 168 HB3 ASP 20 1HB ASP 20 9.855 -2.892 -11.052 169 H ASP 21 H ASP 21 9.481 -6.978 -12.296 170 HA ASP 21 HA ASP 21 8.588 -7.797 -9.772 171 HB2 ASP 21 2HB ASP 21 9.875 -9.897 -10.256 172 HB3 ASP 21 1HB ASP 21 8.804 -9.388 -11.557 173 H GLY 22 H GLY 22 11.518 -6.202 -10.598 174 HA2 GLY 22 2HA GLY 22 12.837 -7.072 -8.109 175 HA3 GLY 22 1HA GLY 22 13.610 -6.225 -9.439 176 H ALA 23 H ALA 23 10.578 -4.899 -8.580 177 HA ALA 23 HA ALA 23 11.919 -2.771 -7.019 178 HB1 ALA 23 3HB ALA 23 11.450 -2.016 -9.292 179 HB2 ALA 23 1HB ALA 23 10.471 -1.135 -8.118 180 HB3 ALA 23 2HB ALA 23 9.746 -2.424 -9.086 181 HA PRO 24 HA PRO 24 8.460 -3.376 -4.208 182 HB2 PRO 24 2HB PRO 24 9.347 -1.369 -2.446 183 HB3 PRO 24 1HB PRO 24 9.773 -3.077 -2.380 184 HG2 PRO 24 2HG PRO 24 11.510 -0.921 -2.964 185 HG3 PRO 24 1HG PRO 24 11.873 -2.646 -3.108 186 HD2 PRO 24 2HD PRO 24 11.101 -0.692 -5.214 187 HD3 PRO 24 1HD PRO 24 12.112 -2.149 -5.334 188 H VAL 25 H VAL 25 6.871 -1.903 -2.998 189 HA VAL 25 HA VAL 25 5.983 0.203 -4.856 190 HB VAL 25 HB VAL 25 4.374 -1.120 -2.660 191 HG11 VAL 25 1HG1 VAL 25 2.444 -0.287 -3.953 192 HG12 VAL 25 2HG1 VAL 25 3.553 0.517 -5.061 193 HG13 VAL 25 3HG1 VAL 25 3.478 1.018 -3.373 194 HG21 VAL 25 3HG2 VAL 25 5.113 -2.822 -4.236 195 HG22 VAL 25 1HG2 VAL 25 4.518 -1.857 -5.587 196 HG23 VAL 25 2HG2 VAL 25 3.384 -2.527 -4.413 197 H LYS 26 H LYS 26 5.741 2.312 -4.204 198 HA LYS 26 HA LYS 26 6.807 3.031 -1.578 199 HB2 LYS 26 2HB LYS 26 5.961 4.816 -3.878 200 HB3 LYS 26 1HB LYS 26 6.762 5.353 -2.412 201 HG2 LYS 26 2HG LYS 26 8.384 5.299 -4.133 202 HG3 LYS 26 1HG LYS 26 8.721 3.936 -3.063 203 HD2 LYS 26 2HD LYS 26 7.937 2.371 -4.614 204 HD3 LYS 26 1HD LYS 26 7.029 3.583 -5.520 205 HE2 LYS 26 2HE LYS 26 10.040 3.456 -5.367 206 HE3 LYS 26 1HE LYS 26 9.072 2.799 -6.687 207 HZ1 LYS 26 3HZ LYS 26 9.853 4.961 -7.297 208 HZ2 LYS 26 1HZ LYS 26 9.254 5.649 -5.871 209 HZ3 LYS 26 2HZ LYS 26 8.183 5.061 -7.037 210 H THR 27 H THR 27 5.646 4.043 0.040 211 HA THR 27 HA THR 27 2.872 3.854 0.254 212 HB THR 27 HB THR 27 4.645 5.913 1.605 213 HG1 THR 27 HG1 THR 27 5.390 3.856 2.098 214 HG21 THR 27 3HG2 THR 27 1.940 4.819 2.418 215 HG22 THR 27 1HG2 THR 27 2.250 6.447 1.805 216 HG23 THR 27 2HG2 THR 27 2.924 5.943 3.355 217 H ARG 28 H ARG 28 4.858 6.480 -1.020 218 HA ARG 28 HA ARG 28 2.871 8.432 -1.400 219 HE ARG 28 HE ARG 28 3.451 10.973 -1.814 220 HB2 ARG 28 2HB ARG 28 5.346 7.911 -3.071 221 HB3 ARG 28 1HB ARG 28 4.402 9.391 -3.090 222 HG2 ARG 28 2HG ARG 28 5.932 8.318 -0.720 223 HG3 ARG 28 1HG ARG 28 6.457 9.625 -1.782 224 HD2 ARG 28 2HD ARG 28 4.063 9.614 0.061 225 HD3 ARG 28 1HD ARG 28 5.532 10.574 0.232 226 HH11 ARG 28 1HH1 ARG 28 6.194 12.144 -0.085 227 HH12 ARG 28 2HH1 ARG 28 5.970 13.770 -0.627 228 HH21 ARG 28 1HH2 ARG 28 3.176 13.058 -2.492 229 HH22 ARG 28 2HH2 ARG 28 4.272 14.284 -1.960 230 H ASP 29 H ASP 29 4.191 6.118 -3.781 231 HA ASP 29 HA ASP 29 2.554 6.638 -5.931 232 HB2 ASP 29 2HB ASP 29 3.675 3.962 -5.045 233 HB3 ASP 29 1HB ASP 29 3.044 4.305 -6.654 234 H ILE 30 H ILE 30 1.927 4.363 -3.258 235 HA ILE 30 HA ILE 30 -0.569 3.425 -4.162 236 HB ILE 30 HB ILE 30 0.426 3.712 -1.317 237 HG12 ILE 30 2HG1 ILE 30 0.480 1.341 -3.209 238 HG13 ILE 30 1HG1 ILE 30 1.870 2.330 -2.774 239 HG21 ILE 30 1HG2 ILE 30 -2.006 3.464 -1.381 240 HG22 ILE 30 2HG2 ILE 30 -1.245 2.009 -0.740 241 HG23 ILE 30 3HG2 ILE 30 -1.847 2.032 -2.398 242 HD11 ILE 30 3HD1 ILE 30 0.264 0.620 -0.889 243 HD12 ILE 30 1HD1 ILE 30 1.666 1.600 -0.459 244 HD13 ILE 30 2HD1 ILE 30 1.850 0.230 -1.555 245 H ALA 31 H ALA 31 0.224 6.146 -1.991 246 HA ALA 31 HA ALA 31 -2.402 6.991 -1.458 247 HB1 ALA 31 3HB ALA 31 -1.399 9.149 -0.848 248 HB2 ALA 31 1HB ALA 31 0.119 8.652 -1.595 249 HB3 ALA 31 2HB ALA 31 -0.491 7.794 -0.179 250 H ASP 32 H ASP 32 -0.309 7.603 -4.202 251 HA ASP 32 HA ASP 32 -1.823 9.672 -5.406 252 HB2 ASP 32 2HB ASP 32 0.515 9.212 -5.994 253 HB3 ASP 32 1HB ASP 32 0.051 7.647 -6.658 254 H ALA 33 H ALA 33 -1.749 6.153 -6.039 255 HA ALA 33 HA ALA 33 -3.859 6.267 -7.979 256 HB1 ALA 33 3HB ALA 33 -2.689 3.882 -6.545 257 HB2 ALA 33 1HB ALA 33 -2.129 4.550 -8.080 258 HB3 ALA 33 2HB ALA 33 -3.732 3.826 -7.967 259 H ALA 34 H ALA 34 -3.774 5.813 -4.514 260 HA ALA 34 HA ALA 34 -6.505 4.824 -4.370 261 HB1 ALA 34 3HB ALA 34 -4.818 3.990 -2.798 262 HB2 ALA 34 1HB ALA 34 -6.160 4.767 -1.959 263 HB3 ALA 34 2HB ALA 34 -4.624 5.616 -2.145 264 H GLY 35 H GLY 35 -4.843 7.888 -4.054 265 HA2 GLY 35 2HA GLY 35 -5.693 10.032 -3.952 266 HA3 GLY 35 1HA GLY 35 -7.303 9.350 -4.126 267 H LEU 36 H LEU 36 -5.072 8.482 -1.551 268 HA LEU 36 HA LEU 36 -6.850 9.814 0.400 269 HG LEU 36 HG LEU 36 -7.186 6.789 -0.542 270 HB2 LEU 36 2HB LEU 36 -5.179 7.318 0.779 271 HB3 LEU 36 1HB LEU 36 -6.179 8.069 2.008 272 HD11 LEU 36 1HD1 LEU 36 -6.376 5.140 1.041 273 HD12 LEU 36 2HD1 LEU 36 -8.137 5.098 0.961 274 HD13 LEU 36 3HD1 LEU 36 -7.336 5.871 2.330 275 HD21 LEU 36 3HD2 LEU 36 -8.612 8.641 0.098 276 HD22 LEU 36 1HD2 LEU 36 -8.696 8.043 1.756 277 HD23 LEU 36 2HD2 LEU 36 -9.424 7.116 0.445 278 H SER 37 H SER 37 -5.739 10.367 2.505 279 HA SER 37 HA SER 37 -3.431 11.967 2.001 280 HG SER 37 HG SER 37 -5.668 11.204 5.168 281 HB2 SER 37 2HB SER 37 -3.502 12.518 4.386 282 HB3 SER 37 1HB SER 37 -5.123 12.586 3.698 283 H ILE 38 H ILE 38 -1.300 11.720 2.680 284 HA ILE 38 HA ILE 38 -0.111 9.259 2.401 285 HB ILE 38 HB ILE 38 0.986 11.566 4.027 286 HG12 ILE 38 2HG1 ILE 38 0.356 12.261 1.757 287 HG13 ILE 38 1HG1 ILE 38 2.106 12.243 1.936 288 HG21 ILE 38 1HG2 ILE 38 2.397 9.234 2.718 289 HG22 ILE 38 2HG2 ILE 38 2.245 9.538 4.450 290 HG23 ILE 38 3HG2 ILE 38 3.199 10.628 3.444 291 HD11 ILE 38 3HD1 ILE 38 0.448 10.125 0.576 292 HD12 ILE 38 1HD1 ILE 38 2.205 10.105 0.754 293 HD13 ILE 38 2HD1 ILE 38 1.431 11.357 -0.219 294 H TYR 39 H TYR 39 -0.845 10.860 5.518 295 HA TYR 39 HA TYR 39 0.266 8.855 7.161 296 HD1 TYR 39 HD2 TYR 39 1.268 10.191 9.519 297 HD2 TYR 39 HD1 TYR 39 -2.919 9.434 9.686 298 HE1 TYR 39 HE2 TYR 39 1.516 9.365 11.819 299 HE2 TYR 39 HE1 TYR 39 -2.680 8.604 11.989 300 HH TYR 39 HH TYR 39 0.025 9.138 13.866 301 HB2 TYR 39 2HB TYR 39 -0.291 11.193 7.877 302 HB3 TYR 39 1HB TYR 39 -1.993 10.739 7.881 303 H GLN 40 H GLN 40 -3.056 9.322 5.968 304 HA GLN 40 HA GLN 40 -4.235 7.211 7.431 305 HB2 GLN 40 2HB GLN 40 -5.495 9.044 6.328 306 HB3 GLN 40 1HB GLN 40 -5.102 8.347 4.764 307 HG2 GLN 40 2HG GLN 40 -6.391 6.374 5.259 308 HG3 GLN 40 1HG GLN 40 -6.681 6.935 6.907 309 HE21 GLN 40 1HE2 GLN 40 -8.111 8.643 7.245 310 HE22 GLN 40 2HE2 GLN 40 -9.253 9.131 6.047 311 H VAL 41 H VAL 41 -2.882 7.313 4.140 312 HA VAL 41 HA VAL 41 -3.327 4.649 3.403 313 HB VAL 41 HB VAL 41 -0.964 6.403 2.656 314 HG11 VAL 41 1HG1 VAL 41 -0.777 4.952 0.670 315 HG12 VAL 41 2HG1 VAL 41 -2.041 3.911 1.326 316 HG13 VAL 41 3HG1 VAL 41 -0.500 4.062 2.171 317 HG21 VAL 41 3HG2 VAL 41 -3.080 7.457 2.085 318 HG22 VAL 41 1HG2 VAL 41 -3.623 5.982 1.282 319 HG23 VAL 41 2HG2 VAL 41 -2.268 6.900 0.622 320 H ARG 42 H ARG 42 -0.607 6.113 5.171 321 HA ARG 42 HA ARG 42 0.975 3.857 5.572 322 HE ARG 42 HE ARG 42 3.383 5.918 8.245 323 HB2 ARG 42 2HB ARG 42 0.499 6.253 7.357 324 HB3 ARG 42 1HB ARG 42 1.711 5.026 7.704 325 HG2 ARG 42 2HG ARG 42 2.898 5.558 5.666 326 HG3 ARG 42 1HG ARG 42 1.641 6.707 5.197 327 HD2 ARG 42 2HD ARG 42 3.665 7.779 6.180 328 HD3 ARG 42 1HD ARG 42 2.174 8.142 7.052 329 HH11 ARG 42 1HH1 ARG 42 4.000 9.282 7.826 330 HH12 ARG 42 2HH1 ARG 42 4.829 9.423 9.338 331 HH21 ARG 42 1HH2 ARG 42 4.441 6.122 10.189 332 HH22 ARG 42 2HH2 ARG 42 5.102 7.657 10.638 333 H LEU 43 H LEU 43 -1.859 4.958 7.421 334 HA LEU 43 HA LEU 43 -1.736 3.096 9.515 335 HG LEU 43 HG LEU 43 -2.662 6.049 9.139 336 HB2 LEU 43 2HB LEU 43 -4.179 4.315 8.221 337 HB3 LEU 43 1HB LEU 43 -4.163 3.498 9.773 338 HD11 LEU 43 1HD1 LEU 43 -5.072 6.401 9.171 339 HD12 LEU 43 2HD1 LEU 43 -4.302 7.144 10.572 340 HD13 LEU 43 3HD1 LEU 43 -5.175 5.622 10.751 341 HD21 LEU 43 3HD2 LEU 43 -2.230 6.150 11.541 342 HD22 LEU 43 1HD2 LEU 43 -1.545 4.682 10.843 343 HD23 LEU 43 2HD2 LEU 43 -3.047 4.603 11.764 344 H TYR 44 H TYR 44 -3.346 2.852 6.347 345 HA TYR 44 HA TYR 44 -4.383 0.241 6.725 346 HD1 TYR 44 HD1 TYR 44 -6.653 -0.282 5.101 347 HD2 TYR 44 HD2 TYR 44 -5.187 3.702 4.770 348 HE1 TYR 44 HE1 TYR 44 -8.941 0.574 5.348 349 HE2 TYR 44 HE2 TYR 44 -7.476 4.567 5.012 350 HH TYR 44 HH TYR 44 -10.086 2.591 6.025 351 HB2 TYR 44 2HB TYR 44 -3.761 1.849 4.251 352 HB3 TYR 44 1HB TYR 44 -4.403 0.212 4.155 353 H LEU 45 H LEU 45 -1.462 1.308 4.960 354 HA LEU 45 HA LEU 45 -0.520 -1.215 4.228 355 HG LEU 45 HG LEU 45 -0.569 1.675 3.079 356 HB2 LEU 45 2HB LEU 45 1.077 1.269 4.880 357 HB3 LEU 45 1HB LEU 45 1.687 -0.121 3.996 358 HD11 LEU 45 1HD1 LEU 45 0.986 2.495 1.407 359 HD12 LEU 45 2HD1 LEU 45 2.269 1.484 2.074 360 HD13 LEU 45 3HD1 LEU 45 1.597 2.807 3.031 361 HD21 LEU 45 3HD2 LEU 45 -0.836 -0.609 2.279 362 HD22 LEU 45 1HD2 LEU 45 0.822 -0.610 1.677 363 HD23 LEU 45 2HD2 LEU 45 -0.378 0.464 0.958 364 H GLU 46 H GLU 46 -0.016 0.590 7.211 365 HA GLU 46 HA GLU 46 1.937 -1.039 8.398 366 HB2 GLU 46 2HB GLU 46 1.111 1.283 9.096 367 HB3 GLU 46 1HB GLU 46 -0.217 0.465 9.899 368 HG2 GLU 46 2HG GLU 46 2.688 -0.045 10.509 369 HG3 GLU 46 1HG GLU 46 1.694 1.128 11.366 370 H GLN 47 H GLN 47 -1.628 -1.089 8.845 371 HA GLN 47 HA GLN 47 -1.573 -3.363 10.548 372 HB2 GLN 47 2HB GLN 47 -4.028 -3.409 10.267 373 HB3 GLN 47 1HB GLN 47 -3.416 -1.816 10.682 374 HG2 GLN 47 2HG GLN 47 -3.542 -1.236 8.244 375 HG3 GLN 47 1HG GLN 47 -4.390 -2.762 7.997 376 HE21 GLN 47 1HE2 GLN 47 -4.558 0.417 9.369 377 HE22 GLN 47 2HE2 GLN 47 -6.259 0.427 9.660 378 H LEU 48 H LEU 48 -2.154 -3.039 7.046 379 HA LEU 48 HA LEU 48 -2.669 -5.753 6.504 380 HG LEU 48 HG LEU 48 -3.742 -3.191 5.270 381 HB2 LEU 48 2HB LEU 48 -1.352 -3.628 4.799 382 HB3 LEU 48 1HB LEU 48 -1.774 -5.224 4.201 383 HD11 LEU 48 1HD1 LEU 48 -2.763 -2.511 3.131 384 HD12 LEU 48 2HD1 LEU 48 -4.460 -2.945 2.957 385 HD13 LEU 48 3HD1 LEU 48 -3.207 -4.067 2.430 386 HD21 LEU 48 3HD2 LEU 48 -5.442 -4.735 4.357 387 HD22 LEU 48 1HD2 LEU 48 -4.511 -5.450 5.675 388 HD23 LEU 48 2HD2 LEU 48 -4.164 -5.901 4.005 389 H HIS 49 H HIS 49 0.364 -3.996 6.910 390 HA HIS 49 HA HIS 49 2.103 -6.139 6.264 391 HD1 HIS 49 HD1 HIS 49 4.658 -6.478 6.731 392 HD2 HIS 49 HD2 HIS 49 4.482 -3.494 9.612 393 HE1 HIS 49 HE1 HIS 49 6.676 -6.821 8.175 394 HE2 HIS 49 HE2 HIS 49 6.398 -5.172 10.054 395 HB2 HIS 49 2HB HIS 49 3.095 -4.005 6.295 396 HB3 HIS 49 1HB HIS 49 2.416 -3.607 7.868 397 H ASP 50 H ASP 50 0.706 -5.064 9.350 398 HA ASP 50 HA ASP 50 2.233 -6.790 10.985 399 HB2 ASP 50 2HB ASP 50 0.938 -4.670 11.633 400 HB3 ASP 50 1HB ASP 50 -0.483 -5.709 11.721 401 H VAL 51 H VAL 51 -1.028 -7.153 9.585 402 HA VAL 51 HA VAL 51 -1.606 -9.608 10.930 403 HB VAL 51 HB VAL 51 -3.509 -9.824 9.385 404 HG11 VAL 51 1HG1 VAL 51 -3.123 -7.027 10.467 405 HG12 VAL 51 2HG1 VAL 51 -3.752 -8.416 11.354 406 HG13 VAL 51 3HG1 VAL 51 -4.670 -7.742 10.009 407 HG21 VAL 51 3HG2 VAL 51 -2.458 -9.019 7.335 408 HG22 VAL 51 1HG2 VAL 51 -2.340 -7.394 8.010 409 HG23 VAL 51 2HG2 VAL 51 -3.923 -8.097 7.673 410 H GLY 52 H GLY 52 0.308 -8.889 8.168 411 HA2 GLY 52 2HA GLY 52 1.865 -10.564 7.411 412 HA3 GLY 52 1HA GLY 52 0.647 -11.789 7.715 413 H VAL 53 H VAL 53 -0.183 -8.837 6.001 414 HA VAL 53 HA VAL 53 -0.567 -10.377 3.535 415 HB VAL 53 HB VAL 53 -1.357 -7.520 4.180 416 HG11 VAL 53 1HG1 VAL 53 -2.050 -9.236 1.787 417 HG12 VAL 53 2HG1 VAL 53 -1.007 -7.813 1.787 418 HG13 VAL 53 3HG1 VAL 53 -2.728 -7.644 2.137 419 HG21 VAL 53 3HG2 VAL 53 -3.644 -8.374 4.321 420 HG22 VAL 53 1HG2 VAL 53 -2.603 -9.163 5.505 421 HG23 VAL 53 2HG2 VAL 53 -3.061 -10.014 4.030 422 H LEU 54 H LEU 54 1.041 -7.382 4.607 423 HA LEU 54 HA LEU 54 2.703 -7.460 2.165 424 HG LEU 54 HG LEU 54 0.085 -5.690 2.531 425 HB2 LEU 54 2HB LEU 54 2.012 -5.098 3.926 426 HB3 LEU 54 1HB LEU 54 3.038 -5.037 2.506 427 HD11 LEU 54 1HD1 LEU 54 1.558 -3.243 1.548 428 HD12 LEU 54 2HD1 LEU 54 0.522 -3.338 2.974 429 HD13 LEU 54 3HD1 LEU 54 -0.170 -3.551 1.367 430 HD21 LEU 54 3HD2 LEU 54 1.994 -5.422 0.206 431 HD22 LEU 54 1HD2 LEU 54 0.246 -5.632 0.089 432 HD23 LEU 54 2HD2 LEU 54 1.244 -6.915 0.771 433 H GLU 55 H GLU 55 4.892 -7.481 2.323 434 HA GLU 55 HA GLU 55 6.115 -7.699 4.971 435 HB2 GLU 55 2HB GLU 55 6.667 -9.351 3.190 436 HB3 GLU 55 1HB GLU 55 7.348 -8.051 2.221 437 HG2 GLU 55 2HG GLU 55 8.997 -7.636 4.032 438 HG3 GLU 55 1HG GLU 55 8.356 -9.036 4.888 439 H LYS 56 H LYS 56 7.860 -6.341 5.649 440 HA LYS 56 HA LYS 56 7.500 -3.608 4.700 441 HB2 LYS 56 2HB LYS 56 8.562 -2.908 6.728 442 HB3 LYS 56 1HB LYS 56 7.442 -4.197 7.141 443 HG2 LYS 56 2HG LYS 56 9.321 -5.788 7.208 444 HG3 LYS 56 1HG LYS 56 10.432 -4.469 6.841 445 HD2 LYS 56 2HD LYS 56 9.627 -3.329 8.929 446 HD3 LYS 56 1HD LYS 56 8.717 -4.793 9.304 447 HE2 LYS 56 2HE LYS 56 11.713 -4.542 9.014 448 HE3 LYS 56 1HE LYS 56 10.816 -4.828 10.503 449 HZ1 LYS 56 3HZ LYS 56 10.077 -6.957 9.574 450 HZ2 LYS 56 1HZ LYS 56 11.760 -6.873 9.697 451 HZ3 LYS 56 2HZ LYS 56 11.009 -6.687 8.190 452 H VAL 57 H VAL 57 9.003 -2.384 3.656 453 HA VAL 57 HA VAL 57 11.799 -3.324 3.592 454 HB VAL 57 HB VAL 57 10.336 -2.112 1.230 455 HG11 VAL 57 1HG1 VAL 57 12.693 -1.461 1.312 456 HG12 VAL 57 2HG1 VAL 57 12.395 -2.574 -0.023 457 HG13 VAL 57 3HG1 VAL 57 13.167 -3.156 1.453 458 HG21 VAL 57 3HG2 VAL 57 9.626 -4.416 1.595 459 HG22 VAL 57 1HG2 VAL 57 11.308 -4.947 1.645 460 HG23 VAL 57 2HG2 VAL 57 10.629 -4.304 0.150 461 H ASN 58 H ASN 58 12.865 -1.880 4.777 462 HA ASN 58 HA ASN 58 13.723 0.051 5.590 463 HB2 ASN 58 2HB ASN 58 14.260 0.445 3.212 464 HB3 ASN 58 1HB ASN 58 12.714 1.263 3.003 465 HD21 ASN 58 1HD2 ASN 58 12.397 3.271 4.041 466 HD22 ASN 58 2HD2 ASN 58 13.741 4.234 4.550 467 H ALA 59 H ALA 59 12.436 0.379 7.380 468 HA ALA 59 HA ALA 59 10.336 2.422 7.111 469 HB1 ALA 59 3HB ALA 59 10.062 -0.088 8.768 470 HB2 ALA 59 1HB ALA 59 9.223 0.244 7.253 471 HB3 ALA 59 2HB ALA 59 8.894 1.231 8.678 472 H GLY 60 H GLY 60 9.785 3.484 9.215 473 HA2 GLY 60 2HA GLY 60 10.641 3.451 11.648 474 HA3 GLY 60 1HA GLY 60 12.207 3.706 10.900 475 H LYS 61 H LYS 61 12.871 5.746 11.025 476 HA LYS 61 HA LYS 61 11.046 7.816 11.860 477 HB2 LYS 61 2HB LYS 61 14.007 7.984 11.257 478 HB3 LYS 61 1HB LYS 61 13.053 9.197 12.100 479 HG2 LYS 61 2HG LYS 61 12.625 7.596 13.910 480 HG3 LYS 61 1HG LYS 61 13.597 6.389 13.064 481 HD2 LYS 61 2HD LYS 61 14.944 7.419 14.787 482 HD3 LYS 61 1HD LYS 61 15.549 7.920 13.209 483 HE2 LYS 61 2HE LYS 61 15.513 9.822 14.707 484 HE3 LYS 61 1HE LYS 61 14.307 10.048 13.441 485 HZ1 LYS 61 3HZ LYS 61 12.597 9.332 14.992 486 HZ2 LYS 61 1HZ LYS 61 13.446 10.657 15.613 487 HZ3 LYS 61 2HZ LYS 61 13.758 9.104 16.203 488 H GLY 62 H GLY 62 9.735 8.610 10.284 489 HA2 GLY 62 2HA GLY 62 9.067 9.736 8.393 490 HA3 GLY 62 1HA GLY 62 10.586 10.594 8.570 491 H VAL 63 H VAL 63 9.579 7.335 7.479 492 HA VAL 63 HA VAL 63 11.547 7.521 5.291 493 HB VAL 63 HB VAL 63 11.316 5.091 5.077 494 HG11 VAL 63 1HG1 VAL 63 12.284 4.431 7.235 495 HG12 VAL 63 2HG1 VAL 63 11.751 5.957 7.941 496 HG13 VAL 63 3HG1 VAL 63 12.966 5.953 6.661 497 HG21 VAL 63 3HG2 VAL 63 9.313 5.315 7.331 498 HG22 VAL 63 1HG2 VAL 63 9.951 3.807 6.672 499 HG23 VAL 63 2HG2 VAL 63 8.962 4.863 5.661 500 HA PRO 64 HA PRO 64 8.374 7.704 2.121 501 HB2 PRO 64 2HB PRO 64 9.461 6.177 0.139 502 HB3 PRO 64 1HB PRO 64 10.047 7.799 0.533 503 HG2 PRO 64 2HG PRO 64 11.145 5.134 1.383 504 HG3 PRO 64 1HG PRO 64 12.017 6.557 0.780 505 HD2 PRO 64 2HD PRO 64 11.881 5.983 3.414 506 HD3 PRO 64 1HD PRO 64 11.892 7.657 2.820 507 H GLY 65 H GLY 65 9.410 4.705 3.472 508 HA2 GLY 65 2HA GLY 65 8.294 2.764 3.955 509 HA3 GLY 65 1HA GLY 65 6.814 3.589 3.504 510 H LEU 66 H LEU 66 9.328 1.414 2.466 511 HA LEU 66 HA LEU 66 7.984 1.020 -0.118 512 HG LEU 66 HG LEU 66 10.842 2.226 0.385 513 HB2 LEU 66 2HB LEU 66 10.556 -0.162 0.945 514 HB3 LEU 66 1HB LEU 66 9.894 -0.456 -0.653 515 HD11 LEU 66 1HD1 LEU 66 12.676 0.643 -0.003 516 HD12 LEU 66 2HD1 LEU 66 12.694 1.968 -1.163 517 HD13 LEU 66 3HD1 LEU 66 12.099 0.381 -1.649 518 HD21 LEU 66 3HD2 LEU 66 9.846 1.415 -2.353 519 HD22 LEU 66 1HD2 LEU 66 10.555 2.978 -1.940 520 HD23 LEU 66 2HD2 LEU 66 9.025 2.486 -1.214 521 H TRP 67 H TRP 67 6.735 -0.727 -0.519 522 HA TRP 67 HA TRP 67 6.573 -2.819 1.557 523 HD1 TRP 67 HD1 TRP 67 4.420 0.930 0.817 524 HE1 TRP 67 HE1 TRP 67 4.384 2.167 3.073 525 HE3 TRP 67 HE3 TRP 67 4.913 -3.084 3.949 526 HZ2 TRP 67 HZ2 TRP 67 4.547 1.527 5.816 527 HZ3 TRP 67 HZ3 TRP 67 4.974 -2.682 6.377 528 HH2 TRP 67 HH2 TRP 67 4.796 -0.425 7.290 529 HB2 TRP 67 2HB TRP 67 4.197 -1.596 0.128 530 HB3 TRP 67 1HB TRP 67 4.152 -2.795 1.416 531 H ARG 68 H ARG 68 6.102 -4.881 0.894 532 HA ARG 68 HA ARG 68 5.494 -5.362 -1.942 533 HE ARG 68 HE ARG 68 8.346 -8.831 -2.002 534 HB2 ARG 68 2HB ARG 68 7.113 -7.221 -2.032 535 HB3 ARG 68 1HB ARG 68 7.912 -5.678 -1.750 536 HG2 ARG 68 2HG ARG 68 8.176 -6.190 0.598 537 HG3 ARG 68 1HG ARG 68 7.257 -7.683 0.406 538 HD2 ARG 68 2HD ARG 68 9.883 -7.073 -0.956 539 HD3 ARG 68 1HD ARG 68 9.697 -8.057 0.496 540 HH11 ARG 68 1HH1 ARG 68 10.506 -9.545 0.587 541 HH12 ARG 68 2HH1 ARG 68 10.824 -11.151 0.027 542 HH21 ARG 68 1HH2 ARG 68 8.721 -10.921 -2.687 543 HH22 ARG 68 2HH2 ARG 68 9.817 -11.921 -1.800 544 H LEU 69 H LEU 69 4.920 -7.813 -2.215 545 HA LEU 69 HA LEU 69 3.284 -8.583 0.115 546 HG LEU 69 HG LEU 69 3.339 -7.999 -3.502 547 HB2 LEU 69 2HB LEU 69 1.976 -9.950 -1.635 548 HB3 LEU 69 1HB LEU 69 1.738 -8.216 -1.558 549 HD11 LEU 69 1HD1 LEU 69 2.986 -10.991 -3.638 550 HD12 LEU 69 2HD1 LEU 69 4.488 -10.125 -3.314 551 HD13 LEU 69 3HD1 LEU 69 3.712 -9.980 -4.890 552 HD21 LEU 69 3HD2 LEU 69 1.674 -8.617 -5.168 553 HD22 LEU 69 1HD2 LEU 69 0.912 -7.857 -3.772 554 HD23 LEU 69 2HD2 LEU 69 0.830 -9.608 -3.980 555 H LEU 70 H LEU 70 2.845 -11.045 0.181 556 HA LEU 70 HA LEU 70 5.376 -12.268 0.612 557 HG LEU 70 HG LEU 70 2.674 -11.712 2.262 558 HB2 LEU 70 2HB LEU 70 2.641 -13.551 0.638 559 HB3 LEU 70 1HB LEU 70 4.104 -14.216 1.343 560 HD11 LEU 70 1HD1 LEU 70 2.168 -13.008 4.275 561 HD12 LEU 70 2HD1 LEU 70 2.925 -14.429 3.553 562 HD13 LEU 70 3HD1 LEU 70 1.466 -13.745 2.836 563 HD21 LEU 70 3HD2 LEU 70 5.095 -11.524 2.562 564 HD22 LEU 70 1HD2 LEU 70 5.117 -13.072 3.411 565 HD23 LEU 70 2HD2 LEU 70 4.270 -11.690 4.112 566 H GLU 71 H GLU 71 6.246 -12.120 -1.570 567 HA GLU 71 HA GLU 71 5.951 -14.594 -3.014 568 HB2 GLU 71 2HB GLU 71 4.086 -13.225 -3.944 569 HB3 GLU 71 1HB GLU 71 5.257 -12.015 -4.450 570 HG2 GLU 71 2HG GLU 71 4.602 -13.404 -6.321 571 HG3 GLU 71 1HG GLU 71 6.305 -13.647 -5.942 Start of MODEL 14 1 HA MET 1 HA MET 1 -20.002 -4.402 -7.977 2 H1 MET 1 1H MET 1 -21.400 -5.591 -6.441 3 H2 MET 1 2H MET 1 -22.342 -4.646 -7.474 4 H3 MET 1 3H MET 1 -22.084 -4.149 -5.879 5 HB2 MET 1 2HB MET 1 -21.271 -1.939 -6.740 6 HB3 MET 1 1HB MET 1 -19.894 -1.917 -7.834 7 HG2 MET 1 2HG MET 1 -21.287 -2.917 -9.591 8 HG3 MET 1 1HG MET 1 -22.665 -2.904 -8.491 9 HE1 MET 1 3HE MET 1 -23.588 -0.088 -11.055 10 HE2 MET 1 1HE MET 1 -24.118 -1.580 -10.276 11 HE3 MET 1 2HE MET 1 -22.757 -1.605 -11.397 12 H SER 2 H SER 2 -17.893 -4.142 -7.301 13 HA SER 2 HA SER 2 -17.400 -4.846 -4.576 14 HG SER 2 HG SER 2 -14.364 -4.005 -7.081 15 HB2 SER 2 2HB SER 2 -15.001 -4.849 -5.251 16 HB3 SER 2 1HB SER 2 -16.023 -5.804 -6.323 17 H GLU 3 H GLU 3 -17.659 -3.353 -3.035 18 HA GLU 3 HA GLU 3 -16.397 -0.711 -3.345 19 HB2 GLU 3 2HB GLU 3 -18.577 -1.745 -1.538 20 HB3 GLU 3 1HB GLU 3 -17.723 -0.254 -1.166 21 HG2 GLU 3 2HG GLU 3 -19.220 -0.778 -3.733 22 HG3 GLU 3 1HG GLU 3 -19.870 0.096 -2.344 23 H SER 4 H SER 4 -14.333 -0.715 -2.659 24 HA SER 4 HA SER 4 -13.653 -1.103 0.048 25 HG SER 4 HG SER 4 -11.694 -4.123 0.084 26 HB2 SER 4 2HB SER 4 -13.862 -3.485 -0.356 27 HB3 SER 4 1HB SER 4 -12.815 -3.375 -1.772 28 H ILE 5 H ILE 5 -12.270 0.539 0.187 29 HA ILE 5 HA ILE 5 -10.413 1.232 -1.900 30 HB ILE 5 HB ILE 5 -10.528 2.225 0.961 31 HG12 ILE 5 2HG1 ILE 5 -12.622 2.667 -0.263 32 HG13 ILE 5 1HG1 ILE 5 -11.742 4.159 0.053 33 HG21 ILE 5 1HG2 ILE 5 -8.355 2.648 -0.036 34 HG22 ILE 5 2HG2 ILE 5 -9.251 4.160 0.102 35 HG23 ILE 5 3HG2 ILE 5 -9.115 3.355 -1.461 36 HD11 ILE 5 3HD1 ILE 5 -12.683 4.158 -2.181 37 HD12 ILE 5 1HD1 ILE 5 -11.821 2.668 -2.565 38 HD13 ILE 5 2HD1 ILE 5 -10.921 4.155 -2.255 39 H VAL 6 H VAL 6 -10.255 -0.469 1.195 40 HA VAL 6 HA VAL 6 -7.486 -0.791 1.431 41 HB VAL 6 HB VAL 6 -9.623 -2.799 2.194 42 HG11 VAL 6 1HG1 VAL 6 -7.398 -3.789 2.220 43 HG12 VAL 6 2HG1 VAL 6 -7.996 -3.582 3.865 44 HG13 VAL 6 3HG1 VAL 6 -6.798 -2.461 3.217 45 HG21 VAL 6 3HG2 VAL 6 -10.090 -0.620 3.173 46 HG22 VAL 6 1HG2 VAL 6 -8.440 -0.516 3.787 47 HG23 VAL 6 2HG2 VAL 6 -9.541 -1.739 4.421 48 H THR 7 H THR 7 -9.859 -2.903 -0.215 49 HA THR 7 HA THR 7 -8.024 -4.766 -1.255 50 HB THR 7 HB THR 7 -10.669 -3.912 -2.472 51 HG1 THR 7 HG1 THR 7 -10.061 -6.062 -0.683 52 HG21 THR 7 3HG2 THR 7 -9.071 -6.454 -2.874 53 HG22 THR 7 1HG2 THR 7 -9.281 -5.170 -4.064 54 HG23 THR 7 2HG2 THR 7 -10.668 -6.122 -3.541 55 H LYS 8 H LYS 8 -9.114 -1.638 -2.484 56 HA LYS 8 HA LYS 8 -7.939 -1.724 -5.032 57 HB2 LYS 8 2HB LYS 8 -9.525 0.024 -4.356 58 HB3 LYS 8 1HB LYS 8 -8.362 0.656 -3.197 59 HG2 LYS 8 2HG LYS 8 -6.840 1.198 -5.071 60 HG3 LYS 8 1HG LYS 8 -8.072 0.634 -6.202 61 HD2 LYS 8 2HD LYS 8 -9.618 2.358 -5.383 62 HD3 LYS 8 1HD LYS 8 -8.397 2.917 -4.238 63 HE2 LYS 8 2HE LYS 8 -6.910 3.469 -6.128 64 HE3 LYS 8 1HE LYS 8 -8.168 2.953 -7.252 65 HZ1 LYS 8 3HZ LYS 8 -9.598 4.691 -6.379 66 HZ2 LYS 8 1HZ LYS 8 -8.162 5.344 -6.983 67 HZ3 LYS 8 2HZ LYS 8 -8.389 5.195 -5.316 68 H ILE 9 H ILE 9 -6.624 -0.523 -1.937 69 HA ILE 9 HA ILE 9 -4.074 0.208 -2.818 70 HB ILE 9 HB ILE 9 -4.915 -0.886 -0.122 71 HG12 ILE 9 2HG1 ILE 9 -4.504 1.950 -1.119 72 HG13 ILE 9 1HG1 ILE 9 -6.054 1.186 -0.785 73 HG21 ILE 9 1HG2 ILE 9 -2.851 0.120 0.761 74 HG22 ILE 9 2HG2 ILE 9 -2.353 0.528 -0.882 75 HG23 ILE 9 3HG2 ILE 9 -2.510 -1.161 -0.403 76 HD11 ILE 9 3HD1 ILE 9 -3.909 1.798 1.235 77 HD12 ILE 9 1HD1 ILE 9 -5.457 1.019 1.577 78 HD13 ILE 9 2HD1 ILE 9 -5.415 2.685 1.001 79 H ILE 10 H ILE 10 -5.148 -2.927 -1.481 80 HA ILE 10 HA ILE 10 -2.755 -4.346 -1.762 81 HB ILE 10 HB ILE 10 -5.572 -5.418 -2.089 82 HG12 ILE 10 2HG1 ILE 10 -3.820 -5.227 0.382 83 HG13 ILE 10 1HG1 ILE 10 -5.227 -4.225 0.049 84 HG21 ILE 10 1HG2 ILE 10 -3.005 -6.866 -1.409 85 HG22 ILE 10 2HG2 ILE 10 -3.893 -6.985 -2.929 86 HG23 ILE 10 3HG2 ILE 10 -4.615 -7.586 -1.438 87 HD11 ILE 10 3HD1 ILE 10 -5.231 -7.202 0.493 88 HD12 ILE 10 1HD1 ILE 10 -6.648 -6.218 0.126 89 HD13 ILE 10 2HD1 ILE 10 -5.766 -5.968 1.633 90 H SER 11 H SER 11 -5.347 -3.784 -4.117 91 HA SER 11 HA SER 11 -4.343 -5.334 -6.245 92 HG SER 11 HG SER 11 -6.961 -4.670 -5.290 93 HB2 SER 11 2HB SER 11 -6.007 -2.798 -6.317 94 HB3 SER 11 1HB SER 11 -5.715 -3.835 -7.710 95 H ILE 12 H ILE 12 -3.811 -1.922 -5.402 96 HA ILE 12 HA ILE 12 -2.217 -1.173 -7.574 97 HB ILE 12 HB ILE 12 -2.090 -0.168 -4.719 98 HG12 ILE 12 2HG1 ILE 12 -3.542 1.019 -7.102 99 HG13 ILE 12 1HG1 ILE 12 -4.317 -0.001 -5.895 100 HG21 ILE 12 1HG2 ILE 12 -0.072 0.444 -5.943 101 HG22 ILE 12 2HG2 ILE 12 -1.078 1.866 -5.668 102 HG23 ILE 12 3HG2 ILE 12 -1.046 1.101 -7.258 103 HD11 ILE 12 3HD1 ILE 12 -2.995 2.648 -5.358 104 HD12 ILE 12 1HD1 ILE 12 -3.807 1.631 -4.167 105 HD13 ILE 12 2HD1 ILE 12 -4.730 2.357 -5.482 106 H VAL 13 H VAL 13 -1.121 -2.229 -4.327 107 HA VAL 13 HA VAL 13 1.622 -2.232 -4.857 108 HB VAL 13 HB VAL 13 0.157 -4.096 -2.972 109 HG11 VAL 13 1HG1 VAL 13 2.463 -4.792 -3.362 110 HG12 VAL 13 2HG1 VAL 13 2.275 -4.156 -1.729 111 HG13 VAL 13 3HG1 VAL 13 3.036 -3.168 -2.975 112 HG21 VAL 13 3HG2 VAL 13 -0.433 -1.771 -2.533 113 HG22 VAL 13 1HG2 VAL 13 1.272 -1.328 -2.476 114 HG23 VAL 13 2HG2 VAL 13 0.597 -2.399 -1.247 115 H GLN 14 H GLN 14 -0.655 -4.985 -5.033 116 HA GLN 14 HA GLN 14 1.126 -6.935 -5.943 117 HB2 GLN 14 2HB GLN 14 -1.167 -7.415 -5.161 118 HB3 GLN 14 1HB GLN 14 -1.821 -6.648 -6.602 119 HG2 GLN 14 2HG GLN 14 -1.912 -9.010 -6.913 120 HG3 GLN 14 1HG GLN 14 -0.660 -8.371 -7.974 121 HE21 GLN 14 1HE2 GLN 14 0.416 -10.322 -8.126 122 HE22 GLN 14 2HE2 GLN 14 1.302 -10.998 -6.809 123 H GLU 15 H GLU 15 -0.866 -4.664 -7.818 124 HA GLU 15 HA GLU 15 -0.218 -5.595 -10.378 125 HB2 GLU 15 2HB GLU 15 -2.073 -4.042 -9.857 126 HB3 GLU 15 1HB GLU 15 -0.905 -2.768 -9.545 127 HG2 GLU 15 2HG GLU 15 -0.211 -2.757 -11.849 128 HG3 GLU 15 1HG GLU 15 -1.215 -4.165 -12.200 129 H ARG 16 H ARG 16 1.416 -3.151 -8.356 130 HA ARG 16 HA ARG 16 3.385 -2.414 -10.243 131 HE ARG 16 HE ARG 16 4.457 -0.023 -10.212 132 HB2 ARG 16 2HB ARG 16 3.717 -2.503 -7.232 133 HB3 ARG 16 1HB ARG 16 4.691 -1.576 -8.363 134 HG2 ARG 16 2HG ARG 16 1.786 -1.141 -7.689 135 HG3 ARG 16 1HG ARG 16 3.147 -0.113 -7.244 136 HD2 ARG 16 2HD ARG 16 2.156 -0.633 -10.052 137 HD3 ARG 16 1HD ARG 16 1.866 0.825 -9.110 138 HH11 ARG 16 1HH1 ARG 16 2.489 2.395 -8.749 139 HH12 ARG 16 2HH1 ARG 16 3.552 3.681 -9.177 140 HH21 ARG 16 1HH2 ARG 16 5.813 1.646 -10.770 141 HH22 ARG 16 2HH2 ARG 16 5.405 3.269 -10.318 142 H GLN 17 H GLN 17 3.288 -5.026 -7.851 143 HA GLN 17 HA GLN 17 5.874 -6.064 -8.346 144 HB2 GLN 17 2HB GLN 17 3.350 -7.296 -7.241 145 HB3 GLN 17 1HB GLN 17 4.831 -8.224 -7.420 146 HG2 GLN 17 2HG GLN 17 4.685 -5.671 -5.832 147 HG3 GLN 17 1HG GLN 17 4.374 -7.259 -5.136 148 HE21 GLN 17 1HE2 GLN 17 6.096 -7.271 -3.773 149 HE22 GLN 17 2HE2 GLN 17 7.733 -7.359 -4.301 150 H ASN 18 H ASN 18 2.828 -6.440 -10.036 151 HA ASN 18 HA ASN 18 3.743 -8.559 -11.755 152 HB2 ASN 18 2HB ASN 18 1.382 -6.677 -11.903 153 HB3 ASN 18 1HB ASN 18 1.704 -7.900 -13.129 154 HD21 ASN 18 1HD2 ASN 18 -0.234 -8.934 -12.659 155 HD22 ASN 18 2HD2 ASN 18 -0.436 -9.893 -11.239 156 H MET 19 H MET 19 4.112 -5.134 -11.682 157 HA MET 19 HA MET 19 4.891 -4.859 -14.456 158 HB2 MET 19 2HB MET 19 5.260 -2.990 -12.096 159 HB3 MET 19 1HB MET 19 5.609 -2.580 -13.770 160 HG2 MET 19 2HG MET 19 2.901 -3.324 -12.685 161 HG3 MET 19 1HG MET 19 3.458 -1.688 -13.029 162 HE1 MET 19 3HE MET 19 3.892 -1.808 -16.936 163 HE2 MET 19 1HE MET 19 5.119 -2.090 -15.702 164 HE3 MET 19 2HE MET 19 3.958 -0.776 -15.504 165 H ASP 20 H ASP 20 6.532 -5.291 -11.349 166 HA ASP 20 HA ASP 20 8.944 -6.118 -12.800 167 HB2 ASP 20 2HB ASP 20 9.229 -3.714 -12.102 168 HB3 ASP 20 1HB ASP 20 9.081 -4.238 -10.432 169 H ASP 21 H ASP 21 10.052 -7.784 -11.835 170 HA ASP 21 HA ASP 21 8.603 -9.484 -10.136 171 HB2 ASP 21 2HB ASP 21 11.528 -9.550 -10.908 172 HB3 ASP 21 1HB ASP 21 10.665 -10.873 -10.125 173 H GLY 22 H GLY 22 10.517 -6.815 -9.249 174 HA2 GLY 22 2HA GLY 22 10.247 -7.581 -6.437 175 HA3 GLY 22 1HA GLY 22 11.875 -7.250 -7.009 176 H ALA 23 H ALA 23 8.709 -5.691 -7.539 177 HA ALA 23 HA ALA 23 9.935 -3.070 -7.360 178 HB1 ALA 23 3HB ALA 23 8.244 -3.495 -9.054 179 HB2 ALA 23 1HB ALA 23 7.713 -2.226 -7.958 180 HB3 ALA 23 2HB ALA 23 7.053 -3.854 -7.808 181 HA PRO 24 HA PRO 24 8.593 -2.693 -3.014 182 HB2 PRO 24 2HB PRO 24 10.369 -0.810 -2.292 183 HB3 PRO 24 1HB PRO 24 10.841 -2.508 -2.446 184 HG2 PRO 24 2HG PRO 24 11.251 -0.245 -4.360 185 HG3 PRO 24 1HG PRO 24 12.382 -1.526 -3.892 186 HD2 PRO 24 2HD PRO 24 10.886 -1.556 -6.204 187 HD3 PRO 24 1HD PRO 24 11.498 -3.015 -5.402 188 H VAL 25 H VAL 25 6.665 -1.667 -3.055 189 HA VAL 25 HA VAL 25 6.231 0.658 -4.698 190 HB VAL 25 HB VAL 25 4.253 -0.626 -2.807 191 HG11 VAL 25 1HG1 VAL 25 3.879 1.008 -5.325 192 HG12 VAL 25 2HG1 VAL 25 3.547 1.533 -3.672 193 HG13 VAL 25 3HG1 VAL 25 2.584 0.245 -4.397 194 HG21 VAL 25 3HG2 VAL 25 5.187 -2.369 -4.232 195 HG22 VAL 25 1HG2 VAL 25 4.875 -1.390 -5.668 196 HG23 VAL 25 2HG2 VAL 25 3.529 -2.010 -4.715 197 H LYS 26 H LYS 26 5.536 2.708 -4.019 198 HA LYS 26 HA LYS 26 6.759 3.479 -1.471 199 HB2 LYS 26 2HB LYS 26 5.885 5.255 -3.769 200 HB3 LYS 26 1HB LYS 26 6.850 5.737 -2.383 201 HG2 LYS 26 2HG LYS 26 8.344 5.525 -4.198 202 HG3 LYS 26 1HG LYS 26 8.613 4.119 -3.169 203 HD2 LYS 26 2HD LYS 26 7.249 2.745 -4.678 204 HD3 LYS 26 1HD LYS 26 6.938 4.157 -5.690 205 HE2 LYS 26 2HE LYS 26 9.661 2.960 -5.156 206 HE3 LYS 26 1HE LYS 26 8.696 2.684 -6.605 207 HZ1 LYS 26 3HZ LYS 26 10.348 4.384 -6.980 208 HZ2 LYS 26 1HZ LYS 26 9.751 5.306 -5.694 209 HZ3 LYS 26 2HZ LYS 26 8.800 5.057 -7.072 210 H THR 27 H THR 27 5.652 4.463 0.188 211 HA THR 27 HA THR 27 2.904 4.314 0.503 212 HB THR 27 HB THR 27 4.745 6.376 1.759 213 HG1 THR 27 HG1 THR 27 4.000 3.731 2.515 214 HG21 THR 27 3HG2 THR 27 2.040 5.383 2.681 215 HG22 THR 27 1HG2 THR 27 2.375 6.982 2.010 216 HG23 THR 27 2HG2 THR 27 3.086 6.506 3.550 217 H ARG 28 H ARG 28 4.817 6.975 -0.828 218 HA ARG 28 HA ARG 28 2.774 8.870 -1.177 219 HE ARG 28 HE ARG 28 6.236 10.539 1.144 220 HB2 ARG 28 2HB ARG 28 5.225 8.413 -2.899 221 HB3 ARG 28 1HB ARG 28 4.251 9.877 -2.877 222 HG2 ARG 28 2HG ARG 28 5.764 8.803 -0.499 223 HG3 ARG 28 1HG ARG 28 6.373 10.044 -1.596 224 HD2 ARG 28 2HD ARG 28 4.528 11.510 -0.995 225 HD3 ARG 28 1HD ARG 28 3.843 10.259 0.042 226 HH11 ARG 28 1HH1 ARG 28 4.071 12.994 0.042 227 HH12 ARG 28 2HH1 ARG 28 4.546 14.110 1.276 228 HH21 ARG 28 1HH2 ARG 28 6.843 11.998 2.703 229 HH22 ARG 28 2HH2 ARG 28 6.103 13.562 2.745 230 H ASP 29 H ASP 29 4.133 6.632 -3.616 231 HA ASP 29 HA ASP 29 2.408 7.106 -5.713 232 HB2 ASP 29 2HB ASP 29 4.474 5.663 -5.726 233 HB3 ASP 29 1HB ASP 29 3.529 4.388 -4.966 234 H ILE 30 H ILE 30 2.000 4.740 -3.087 235 HA ILE 30 HA ILE 30 -0.460 3.659 -3.892 236 HB ILE 30 HB ILE 30 0.647 3.987 -1.093 237 HG12 ILE 30 2HG1 ILE 30 0.707 1.601 -2.969 238 HG13 ILE 30 1HG1 ILE 30 2.069 2.677 -2.669 239 HG21 ILE 30 1HG2 ILE 30 -1.759 3.608 -1.007 240 HG22 ILE 30 2HG2 ILE 30 -0.897 2.172 -0.461 241 HG23 ILE 30 3HG2 ILE 30 -1.599 2.218 -2.079 242 HD11 ILE 30 3HD1 ILE 30 0.727 0.905 -0.638 243 HD12 ILE 30 1HD1 ILE 30 2.080 1.990 -0.320 244 HD13 ILE 30 2HD1 ILE 30 2.286 0.621 -1.410 245 H ALA 31 H ALA 31 0.234 6.437 -1.762 246 HA ALA 31 HA ALA 31 -2.405 7.022 -1.018 247 HB1 ALA 31 3HB ALA 31 -1.589 9.246 -0.439 248 HB2 ALA 31 1HB ALA 31 -0.111 8.954 -1.357 249 HB3 ALA 31 2HB ALA 31 -0.454 8.004 0.089 250 H ASP 32 H ASP 32 -0.473 8.326 -3.717 251 HA ASP 32 HA ASP 32 -2.456 9.999 -4.797 252 HB2 ASP 32 2HB ASP 32 -0.071 8.632 -6.053 253 HB3 ASP 32 1HB ASP 32 -1.097 9.758 -6.938 254 H ALA 33 H ALA 33 -1.543 6.678 -5.759 255 HA ALA 33 HA ALA 33 -3.495 6.424 -7.788 256 HB1 ALA 33 3HB ALA 33 -2.149 4.214 -6.234 257 HB2 ALA 33 1HB ALA 33 -1.466 5.035 -7.637 258 HB3 ALA 33 2HB ALA 33 -2.933 4.070 -7.807 259 H ALA 34 H ALA 34 -3.582 5.592 -4.345 260 HA ALA 34 HA ALA 34 -6.108 4.228 -4.496 261 HB1 ALA 34 3HB ALA 34 -4.464 3.679 -2.762 262 HB2 ALA 34 1HB ALA 34 -6.009 4.157 -2.060 263 HB3 ALA 34 2HB ALA 34 -4.655 5.286 -2.069 264 H GLY 35 H GLY 35 -5.087 7.512 -3.758 265 HA2 GLY 35 2HA GLY 35 -6.430 9.432 -3.885 266 HA3 GLY 35 1HA GLY 35 -7.864 8.419 -3.862 267 H LEU 36 H LEU 36 -5.213 8.229 -1.543 268 HA LEU 36 HA LEU 36 -7.067 9.160 0.570 269 HG LEU 36 HG LEU 36 -6.896 6.082 -0.344 270 HB2 LEU 36 2HB LEU 36 -4.944 7.016 0.782 271 HB3 LEU 36 1HB LEU 36 -5.948 7.585 2.102 272 HD11 LEU 36 1HD1 LEU 36 -5.717 4.677 1.260 273 HD12 LEU 36 2HD1 LEU 36 -7.442 4.316 1.269 274 HD13 LEU 36 3HD1 LEU 36 -6.738 5.283 2.564 275 HD21 LEU 36 3HD2 LEU 36 -8.558 7.733 0.376 276 HD22 LEU 36 1HD2 LEU 36 -8.480 7.102 2.022 277 HD23 LEU 36 2HD2 LEU 36 -9.097 6.090 0.715 278 H SER 37 H SER 37 -5.839 9.753 2.634 279 HA SER 37 HA SER 37 -3.843 11.750 1.984 280 HG SER 37 HG SER 37 -6.300 12.789 4.380 281 HB2 SER 37 2HB SER 37 -4.984 10.952 4.679 282 HB3 SER 37 1HB SER 37 -4.021 12.391 4.346 283 H ILE 38 H ILE 38 -1.702 11.838 2.814 284 HA ILE 38 HA ILE 38 -0.217 9.528 2.572 285 HB ILE 38 HB ILE 38 0.538 12.039 4.082 286 HG12 ILE 38 2HG1 ILE 38 -0.051 12.408 1.714 287 HG13 ILE 38 1HG1 ILE 38 1.666 12.673 1.992 288 HG21 ILE 38 1HG2 ILE 38 1.996 10.205 4.748 289 HG22 ILE 38 2HG2 ILE 38 2.872 11.352 3.735 290 HG23 ILE 38 3HG2 ILE 38 2.316 9.822 3.055 291 HD11 ILE 38 3HD1 ILE 38 1.249 11.471 -0.088 292 HD12 ILE 38 1HD1 ILE 38 0.450 10.185 0.813 293 HD13 ILE 38 2HD1 ILE 38 2.169 10.487 1.052 294 H TYR 39 H TYR 39 -0.890 11.150 5.718 295 HA TYR 39 HA TYR 39 0.315 9.131 7.285 296 HD1 TYR 39 HD2 TYR 39 1.248 9.708 9.644 297 HD2 TYR 39 HD1 TYR 39 -2.945 10.388 9.967 298 HE1 TYR 39 HE2 TYR 39 1.289 8.836 11.941 299 HE2 TYR 39 HE1 TYR 39 -2.913 9.515 12.264 300 HH TYR 39 HH TYR 39 0.005 8.957 13.973 301 HB2 TYR 39 2HB TYR 39 -0.088 11.393 8.142 302 HB3 TYR 39 1HB TYR 39 -1.825 11.130 8.060 303 H GLN 40 H GLN 40 -2.952 9.498 6.052 304 HA GLN 40 HA GLN 40 -4.230 7.447 7.493 305 HB2 GLN 40 2HB GLN 40 -5.320 9.164 5.993 306 HB3 GLN 40 1HB GLN 40 -4.759 8.230 4.614 307 HG2 GLN 40 2HG GLN 40 -6.072 6.298 5.457 308 HG3 GLN 40 1HG GLN 40 -6.708 7.335 6.733 309 HE21 GLN 40 1HE2 GLN 40 -8.211 5.975 4.695 310 HE22 GLN 40 2HE2 GLN 40 -9.023 7.192 3.773 311 H VAL 41 H VAL 41 -2.437 7.385 4.427 312 HA VAL 41 HA VAL 41 -2.819 4.661 3.823 313 HB VAL 41 HB VAL 41 -0.530 6.475 3.022 314 HG11 VAL 41 1HG1 VAL 41 -0.217 4.934 1.134 315 HG12 VAL 41 2HG1 VAL 41 -1.452 3.868 1.799 316 HG13 VAL 41 3HG1 VAL 41 0.054 4.129 2.677 317 HG21 VAL 41 3HG2 VAL 41 -1.806 6.826 0.967 318 HG22 VAL 41 1HG2 VAL 41 -2.725 7.347 2.377 319 HG23 VAL 41 2HG2 VAL 41 -3.107 5.816 1.593 320 H ARG 42 H ARG 42 -0.286 6.288 5.742 321 HA ARG 42 HA ARG 42 1.462 4.228 6.287 322 HE ARG 42 HE ARG 42 2.672 9.257 6.697 323 HB2 ARG 42 2HB ARG 42 0.416 6.481 7.950 324 HB3 ARG 42 1HB ARG 42 1.320 5.222 8.771 325 HG2 ARG 42 2HG ARG 42 2.791 7.027 8.244 326 HG3 ARG 42 1HG ARG 42 3.224 5.635 7.259 327 HD2 ARG 42 2HD ARG 42 2.712 6.685 5.324 328 HD3 ARG 42 1HD ARG 42 1.310 7.499 6.017 329 HH11 ARG 42 1HH1 ARG 42 4.573 6.808 5.174 330 HH12 ARG 42 2HH1 ARG 42 5.952 7.842 5.025 331 HH21 ARG 42 1HH2 ARG 42 4.438 10.539 6.501 332 HH22 ARG 42 2HH2 ARG 42 5.887 9.914 5.790 333 H LEU 43 H LEU 43 -1.584 4.863 8.004 334 HA LEU 43 HA LEU 43 -1.457 2.708 9.796 335 HG LEU 43 HG LEU 43 -2.460 5.751 9.679 336 HB2 LEU 43 2HB LEU 43 -3.925 4.058 8.682 337 HB3 LEU 43 1HB LEU 43 -3.848 3.105 10.155 338 HD11 LEU 43 1HD1 LEU 43 -4.867 5.992 9.956 339 HD12 LEU 43 2HD1 LEU 43 -4.007 6.615 11.363 340 HD13 LEU 43 3HD1 LEU 43 -4.804 5.045 11.443 341 HD21 LEU 43 3HD2 LEU 43 -1.871 5.628 12.072 342 HD22 LEU 43 1HD2 LEU 43 -1.113 4.346 11.126 343 HD23 LEU 43 2HD2 LEU 43 -2.517 3.987 12.132 344 H TYR 44 H TYR 44 -3.153 2.968 6.665 345 HA TYR 44 HA TYR 44 -4.275 0.406 6.611 346 HD1 TYR 44 HD2 TYR 44 -4.818 3.509 6.453 347 HD2 TYR 44 HD1 TYR 44 -6.355 0.981 3.390 348 HE1 TYR 44 HE2 TYR 44 -7.008 4.608 6.650 349 HE2 TYR 44 HE1 TYR 44 -8.550 2.070 3.583 350 HH TYR 44 HH TYR 44 -9.838 3.367 5.136 351 HB2 TYR 44 2HB TYR 44 -3.379 2.221 4.367 352 HB3 TYR 44 1HB TYR 44 -4.169 0.679 4.070 353 H LEU 45 H LEU 45 -1.116 1.470 5.316 354 HA LEU 45 HA LEU 45 -0.403 -1.011 4.175 355 HG LEU 45 HG LEU 45 -0.026 2.135 3.469 356 HB2 LEU 45 2HB LEU 45 1.416 1.191 5.165 357 HB3 LEU 45 1HB LEU 45 1.890 -0.117 4.096 358 HD11 LEU 45 1HD1 LEU 45 1.623 2.736 1.777 359 HD12 LEU 45 2HD1 LEU 45 2.664 1.415 2.312 360 HD13 LEU 45 3HD1 LEU 45 2.321 2.766 3.398 361 HD21 LEU 45 3HD2 LEU 45 -0.183 1.170 1.215 362 HD22 LEU 45 1HD2 LEU 45 -0.858 0.094 2.440 363 HD23 LEU 45 2HD2 LEU 45 0.736 -0.234 1.758 364 H GLU 46 H GLU 46 0.444 0.410 7.333 365 HA GLU 46 HA GLU 46 2.127 -1.672 8.183 366 HB2 GLU 46 2HB GLU 46 0.481 0.308 9.756 367 HB3 GLU 46 1HB GLU 46 1.597 -0.824 10.511 368 HG2 GLU 46 2HG GLU 46 3.423 0.152 9.114 369 HG3 GLU 46 1HG GLU 46 2.275 1.369 8.558 370 H GLN 47 H GLN 47 -1.392 -1.254 8.618 371 HA GLN 47 HA GLN 47 -1.762 -3.603 10.161 372 HB2 GLN 47 2HB GLN 47 -3.710 -2.155 8.355 373 HB3 GLN 47 1HB GLN 47 -4.151 -3.422 9.493 374 HG2 GLN 47 2HG GLN 47 -3.225 -2.000 11.325 375 HG3 GLN 47 1HG GLN 47 -3.010 -0.713 10.143 376 HE21 GLN 47 1HE2 GLN 47 -4.661 -0.806 12.540 377 HE22 GLN 47 2HE2 GLN 47 -6.279 -0.497 12.021 378 H LEU 48 H LEU 48 -1.875 -3.039 6.652 379 HA LEU 48 HA LEU 48 -2.569 -5.658 5.880 380 HG LEU 48 HG LEU 48 -3.321 -2.947 4.725 381 HB2 LEU 48 2HB LEU 48 -0.945 -3.548 4.453 382 HB3 LEU 48 1HB LEU 48 -1.415 -5.066 3.710 383 HD11 LEU 48 1HD1 LEU 48 -3.843 -2.587 2.358 384 HD12 LEU 48 2HD1 LEU 48 -2.575 -3.729 1.908 385 HD13 LEU 48 3HD1 LEU 48 -2.158 -2.218 2.719 386 HD21 LEU 48 3HD2 LEU 48 -3.878 -5.521 3.245 387 HD22 LEU 48 1HD2 LEU 48 -5.070 -4.292 3.670 388 HD23 LEU 48 2HD2 LEU 48 -4.251 -5.200 4.939 389 H HIS 49 H HIS 49 0.536 -4.264 6.804 390 HA HIS 49 HA HIS 49 2.153 -6.482 6.121 391 HD1 HIS 49 HD1 HIS 49 4.870 -6.687 6.403 392 HD2 HIS 49 HD2 HIS 49 4.111 -5.223 10.219 393 HE1 HIS 49 HE1 HIS 49 6.681 -7.630 7.856 394 HE2 HIS 49 HE2 HIS 49 6.048 -6.938 10.185 395 HB2 HIS 49 2HB HIS 49 3.238 -4.414 6.666 396 HB3 HIS 49 1HB HIS 49 2.470 -4.355 8.249 397 H ASP 50 H ASP 50 0.381 -5.677 9.092 398 HA ASP 50 HA ASP 50 1.263 -7.828 10.670 399 HB2 ASP 50 2HB ASP 50 -1.363 -6.327 10.807 400 HB3 ASP 50 1HB ASP 50 -0.689 -7.329 12.088 401 H VAL 51 H VAL 51 -1.675 -7.540 8.657 402 HA VAL 51 HA VAL 51 -2.626 -10.158 9.326 403 HB VAL 51 HB VAL 51 -4.351 -9.785 7.627 404 HG11 VAL 51 1HG1 VAL 51 -4.643 -8.832 9.863 405 HG12 VAL 51 2HG1 VAL 51 -5.398 -7.815 8.635 406 HG13 VAL 51 3HG1 VAL 51 -3.851 -7.346 9.340 407 HG21 VAL 51 3HG2 VAL 51 -3.032 -8.666 5.917 408 HG22 VAL 51 1HG2 VAL 51 -2.816 -7.266 6.968 409 HG23 VAL 51 2HG2 VAL 51 -4.421 -7.673 6.358 410 H GLY 52 H GLY 52 -0.023 -9.384 7.471 411 HA2 GLY 52 2HA GLY 52 1.326 -10.971 6.412 412 HA3 GLY 52 1HA GLY 52 -0.047 -12.057 6.327 413 H VAL 53 H VAL 53 -0.068 -8.750 5.111 414 HA VAL 53 HA VAL 53 -0.238 -9.812 2.363 415 HB VAL 53 HB VAL 53 -1.154 -7.114 3.401 416 HG11 VAL 53 1HG1 VAL 53 -1.462 -8.367 0.665 417 HG12 VAL 53 2HG1 VAL 53 -0.455 -6.980 1.073 418 HG13 VAL 53 3HG1 VAL 53 -2.209 -6.857 1.188 419 HG21 VAL 53 3HG2 VAL 53 -3.419 -7.938 3.089 420 HG22 VAL 53 1HG2 VAL 53 -2.543 -8.989 4.202 421 HG23 VAL 53 2HG2 VAL 53 -2.802 -9.494 2.532 422 H LEU 54 H LEU 54 0.997 -6.896 4.042 423 HA LEU 54 HA LEU 54 2.951 -6.558 1.871 424 HG LEU 54 HG LEU 54 0.261 -4.904 2.380 425 HB2 LEU 54 2HB LEU 54 2.064 -4.597 3.991 426 HB3 LEU 54 1HB LEU 54 3.198 -4.252 2.698 427 HD11 LEU 54 1HD1 LEU 54 1.788 -2.358 1.832 428 HD12 LEU 54 2HD1 LEU 54 0.714 -2.640 3.203 429 HD13 LEU 54 3HD1 LEU 54 0.064 -2.623 1.564 430 HD21 LEU 54 3HD2 LEU 54 2.339 -4.323 0.267 431 HD22 LEU 54 1HD2 LEU 54 0.602 -4.473 -0.011 432 HD23 LEU 54 2HD2 LEU 54 1.530 -5.868 0.540 433 H GLU 55 H GLU 55 5.082 -5.671 2.431 434 HA GLU 55 HA GLU 55 6.137 -6.516 5.036 435 HB2 GLU 55 2HB GLU 55 6.569 -8.349 3.432 436 HB3 GLU 55 1HB GLU 55 7.386 -7.219 2.361 437 HG2 GLU 55 2HG GLU 55 8.972 -8.573 3.635 438 HG3 GLU 55 1HG GLU 55 9.126 -6.859 4.013 439 H LYS 56 H LYS 56 7.973 -5.346 5.732 440 HA LYS 56 HA LYS 56 8.000 -2.639 4.675 441 HB2 LYS 56 2HB LYS 56 9.274 -2.088 6.698 442 HB3 LYS 56 1HB LYS 56 7.817 -2.992 7.092 443 HG2 LYS 56 2HG LYS 56 9.127 -5.029 7.363 444 HG3 LYS 56 1HG LYS 56 10.594 -4.159 6.912 445 HD2 LYS 56 2HD LYS 56 10.259 -2.678 8.886 446 HD3 LYS 56 1HD LYS 56 8.881 -3.680 9.355 447 HE2 LYS 56 2HE LYS 56 10.933 -4.298 10.574 448 HE3 LYS 56 1HE LYS 56 10.331 -5.621 9.574 449 HZ1 LYS 56 3HZ LYS 56 12.501 -3.768 8.745 450 HZ2 LYS 56 1HZ LYS 56 11.999 -5.171 7.944 451 HZ3 LYS 56 2HZ LYS 56 12.768 -5.285 9.448 452 H VAL 57 H VAL 57 9.685 -1.602 3.698 453 HA VAL 57 HA VAL 57 12.269 -3.029 3.469 454 HB VAL 57 HB VAL 57 11.115 -1.047 1.490 455 HG11 VAL 57 1HG1 VAL 57 13.538 -0.976 1.514 456 HG12 VAL 57 2HG1 VAL 57 12.976 -1.746 0.030 457 HG13 VAL 57 3HG1 VAL 57 13.620 -2.732 1.346 458 HG21 VAL 57 3HG2 VAL 57 11.357 -4.048 1.256 459 HG22 VAL 57 1HG2 VAL 57 10.834 -2.954 -0.024 460 HG23 VAL 57 2HG2 VAL 57 9.858 -3.134 1.434 461 H ASN 58 H ASN 58 13.127 -2.099 5.310 462 HA ASN 58 HA ASN 58 14.164 0.580 5.120 463 HB2 ASN 58 2HB ASN 58 13.089 1.329 7.290 464 HB3 ASN 58 1HB ASN 58 11.992 1.210 5.917 465 HD21 ASN 58 1HD2 ASN 58 10.208 1.001 7.285 466 HD22 ASN 58 2HD2 ASN 58 9.887 -0.463 8.139 467 H ALA 59 H ALA 59 14.894 1.046 7.747 468 HA ALA 59 HA ALA 59 16.893 -1.007 8.173 469 HB1 ALA 59 3HB ALA 59 16.389 1.545 9.701 470 HB2 ALA 59 1HB ALA 59 17.492 1.355 8.339 471 HB3 ALA 59 2HB ALA 59 17.804 0.504 9.851 472 H GLY 60 H GLY 60 14.403 0.493 10.281 473 HA2 GLY 60 2HA GLY 60 14.619 -1.855 12.065 474 HA3 GLY 60 1HA GLY 60 14.074 -0.263 12.557 475 H LYS 61 H LYS 61 12.033 -0.542 13.259 476 HA LYS 61 HA LYS 61 10.115 -1.873 11.434 477 HB2 LYS 61 2HB LYS 61 9.973 -1.840 14.464 478 HB3 LYS 61 1HB LYS 61 8.806 -2.585 13.383 479 HG2 LYS 61 2HG LYS 61 10.036 -4.392 14.121 480 HG3 LYS 61 1HG LYS 61 10.808 -4.018 12.580 481 HD2 LYS 61 2HD LYS 61 12.603 -2.846 13.726 482 HD3 LYS 61 1HD LYS 61 11.805 -3.087 15.283 483 HE2 LYS 61 2HE LYS 61 12.036 -5.535 14.983 484 HE3 LYS 61 1HE LYS 61 12.907 -5.242 13.476 485 HZ1 LYS 61 3HZ LYS 61 14.399 -5.644 15.340 486 HZ2 LYS 61 1HZ LYS 61 13.771 -4.306 16.158 487 HZ3 LYS 61 2HZ LYS 61 14.615 -4.092 14.706 488 H GLY 62 H GLY 62 8.064 -0.891 11.197 489 HA2 GLY 62 2HA GLY 62 6.394 0.697 11.454 490 HA3 GLY 62 1HA GLY 62 7.245 1.321 12.853 491 H VAL 63 H VAL 63 9.702 1.960 11.523 492 HA VAL 63 HA VAL 63 9.252 4.561 10.691 493 HB VAL 63 HB VAL 63 11.572 4.525 9.792 494 HG11 VAL 63 1HG1 VAL 63 11.220 3.205 12.487 495 HG12 VAL 63 2HG1 VAL 63 11.169 4.936 12.161 496 HG13 VAL 63 3HG1 VAL 63 12.671 4.042 11.932 497 HG21 VAL 63 3HG2 VAL 63 11.501 1.587 10.515 498 HG22 VAL 63 1HG2 VAL 63 12.928 2.493 10.011 499 HG23 VAL 63 2HG2 VAL 63 11.597 2.247 8.880 500 HA PRO 64 HA PRO 64 7.606 4.057 6.609 501 HB2 PRO 64 2HB PRO 64 7.877 6.606 5.704 502 HB3 PRO 64 1HB PRO 64 6.666 6.134 6.902 503 HG2 PRO 64 2HG PRO 64 9.341 7.423 7.321 504 HG3 PRO 64 1HG PRO 64 7.782 7.808 8.077 505 HD2 PRO 64 2HD PRO 64 9.676 6.326 9.328 506 HD3 PRO 64 1HD PRO 64 7.939 6.069 9.589 507 H GLY 65 H GLY 65 8.248 3.691 4.521 508 HA2 GLY 65 2HA GLY 65 10.547 4.805 3.285 509 HA3 GLY 65 1HA GLY 65 10.921 3.197 3.892 510 H LEU 66 H LEU 66 10.723 1.654 2.380 511 HA LEU 66 HA LEU 66 8.676 1.995 0.275 512 HG LEU 66 HG LEU 66 11.784 2.584 -0.023 513 HB2 LEU 66 2HB LEU 66 11.137 0.235 0.283 514 HB3 LEU 66 1HB LEU 66 9.987 0.371 -1.033 515 HD11 LEU 66 1HD1 LEU 66 12.905 2.344 -2.196 516 HD12 LEU 66 2HD1 LEU 66 11.881 0.955 -2.562 517 HD13 LEU 66 3HD1 LEU 66 13.024 0.878 -1.223 518 HD21 LEU 66 3HD2 LEU 66 9.843 2.551 -2.336 519 HD22 LEU 66 1HD2 LEU 66 10.968 3.856 -1.957 520 HD23 LEU 66 2HD2 LEU 66 9.660 3.468 -0.839 521 H TRP 67 H TRP 67 7.439 0.101 -0.369 522 HA TRP 67 HA TRP 67 7.153 -1.895 1.792 523 HD1 TRP 67 HD1 TRP 67 5.637 1.966 1.292 524 HE1 TRP 67 HE1 TRP 67 5.521 3.023 3.633 525 HE3 TRP 67 HE3 TRP 67 4.891 -2.272 4.054 526 HZ2 TRP 67 HZ2 TRP 67 5.165 2.174 6.302 527 HZ3 TRP 67 HZ3 TRP 67 4.672 -2.064 6.498 528 HH2 TRP 67 HH2 TRP 67 4.807 0.114 7.598 529 HB2 TRP 67 2HB TRP 67 4.894 -0.445 0.381 530 HB3 TRP 67 1HB TRP 67 4.698 -1.732 1.566 531 H ARG 68 H ARG 68 7.366 -3.894 1.038 532 HA ARG 68 HA ARG 68 6.497 -4.544 -1.711 533 HE ARG 68 HE ARG 68 9.534 -7.539 -2.340 534 HB2 ARG 68 2HB ARG 68 8.294 -6.037 0.226 535 HB3 ARG 68 1HB ARG 68 7.751 -6.708 -1.307 536 HG2 ARG 68 2HG ARG 68 8.925 -5.033 -2.542 537 HG3 ARG 68 1HG ARG 68 9.309 -4.141 -1.068 538 HD2 ARG 68 2HD ARG 68 11.253 -5.369 -1.829 539 HD3 ARG 68 1HD ARG 68 10.685 -6.025 -0.295 540 HH11 ARG 68 1HH1 ARG 68 12.672 -6.880 -1.061 541 HH12 ARG 68 2HH1 ARG 68 13.305 -8.415 -1.540 542 HH21 ARG 68 1HH2 ARG 68 10.355 -9.503 -2.926 543 HH22 ARG 68 2HH2 ARG 68 12.003 -9.896 -2.558 544 H LEU 69 H LEU 69 5.819 -7.134 -1.595 545 HA LEU 69 HA LEU 69 3.960 -7.453 0.667 546 HG LEU 69 HG LEU 69 4.207 -7.418 -3.009 547 HB2 LEU 69 2HB LEU 69 2.432 -8.686 -0.926 548 HB3 LEU 69 1HB LEU 69 2.514 -6.949 -1.112 549 HD11 LEU 69 1HD1 LEU 69 3.913 -9.557 -4.161 550 HD12 LEU 69 2HD1 LEU 69 2.918 -10.139 -2.826 551 HD13 LEU 69 3HD1 LEU 69 4.622 -9.767 -2.559 552 HD21 LEU 69 3HD2 LEU 69 1.303 -8.176 -3.343 553 HD22 LEU 69 1HD2 LEU 69 2.405 -7.679 -4.629 554 HD23 LEU 69 2HD2 LEU 69 1.960 -6.538 -3.360 555 H LEU 70 H LEU 70 3.344 -9.795 1.050 556 HA LEU 70 HA LEU 70 5.728 -11.333 1.232 557 HG LEU 70 HG LEU 70 3.490 -10.533 3.370 558 HB2 LEU 70 2HB LEU 70 2.858 -12.159 1.690 559 HB3 LEU 70 1HB LEU 70 4.253 -13.156 2.066 560 HD11 LEU 70 1HD1 LEU 70 3.344 -11.890 5.398 561 HD12 LEU 70 2HD1 LEU 70 3.740 -13.333 4.465 562 HD13 LEU 70 3HD1 LEU 70 2.234 -12.466 4.154 563 HD21 LEU 70 3HD2 LEU 70 5.911 -10.594 3.073 564 HD22 LEU 70 1HD2 LEU 70 5.975 -12.200 3.802 565 HD23 LEU 70 2HD2 LEU 70 5.485 -10.808 4.770 566 H GLU 71 H GLU 71 6.590 -11.687 -0.730 567 HA GLU 71 HA GLU 71 5.155 -12.698 -2.992 568 HB2 GLU 71 2HB GLU 71 8.120 -12.406 -2.453 569 HB3 GLU 71 1HB GLU 71 7.432 -12.842 -4.013 570 HG2 GLU 71 2HG GLU 71 6.472 -10.722 -4.312 571 HG3 GLU 71 1HG GLU 71 6.656 -10.302 -2.610 Start of MODEL 15 1 HA MET 1 HA MET 1 -23.610 0.644 -0.310 2 H1 MET 1 1H MET 1 -24.330 -1.917 1.002 3 H2 MET 1 2H MET 1 -24.727 -1.462 -0.579 4 H3 MET 1 3H MET 1 -25.381 -0.618 0.733 5 HB2 MET 1 2HB MET 1 -22.948 -0.432 2.443 6 HB3 MET 1 1HB MET 1 -22.203 0.996 1.735 7 HG2 MET 1 2HG MET 1 -24.405 2.075 1.632 8 HG3 MET 1 1HG MET 1 -25.127 0.648 2.378 9 HE1 MET 1 3HE MET 1 -25.556 3.537 3.557 10 HE2 MET 1 1HE MET 1 -25.299 3.260 5.278 11 HE3 MET 1 2HE MET 1 -26.202 2.083 4.321 12 H SER 2 H SER 2 -21.134 0.888 -0.248 13 HA SER 2 HA SER 2 -19.715 -1.679 -0.514 14 HG SER 2 HG SER 2 -18.321 -1.479 -3.469 15 HB2 SER 2 2HB SER 2 -20.270 -1.018 -2.808 16 HB3 SER 2 1HB SER 2 -19.562 0.576 -2.540 17 H GLU 3 H GLU 3 -17.783 -1.682 0.486 18 HA GLU 3 HA GLU 3 -16.500 0.896 1.138 19 HB2 GLU 3 2HB GLU 3 -16.048 0.107 3.416 20 HB3 GLU 3 1HB GLU 3 -17.777 0.149 3.096 21 HG2 GLU 3 2HG GLU 3 -17.618 -2.322 2.580 22 HG3 GLU 3 1HG GLU 3 -15.983 -2.261 3.235 23 H SER 4 H SER 4 -15.984 -1.321 -0.830 24 HA SER 4 HA SER 4 -13.599 -2.656 0.094 25 HG SER 4 HG SER 4 -13.421 -4.215 -3.141 26 HB2 SER 4 2HB SER 4 -15.146 -3.739 -1.517 27 HB3 SER 4 1HB SER 4 -14.735 -2.512 -2.715 28 H ILE 5 H ILE 5 -12.655 -0.423 0.645 29 HA ILE 5 HA ILE 5 -11.373 0.906 -1.624 30 HB ILE 5 HB ILE 5 -11.434 1.543 1.333 31 HG12 ILE 5 2HG1 ILE 5 -12.406 3.705 0.476 32 HG13 ILE 5 1HG1 ILE 5 -12.410 3.007 -1.138 33 HG21 ILE 5 1HG2 ILE 5 -9.176 2.036 0.601 34 HG22 ILE 5 2HG2 ILE 5 -10.061 3.542 0.837 35 HG23 ILE 5 3HG2 ILE 5 -9.789 2.926 -0.794 36 HD11 ILE 5 3HD1 ILE 5 -14.605 2.914 -0.119 37 HD12 ILE 5 1HD1 ILE 5 -13.958 1.989 1.235 38 HD13 ILE 5 2HD1 ILE 5 -13.975 1.289 -0.384 39 H VAL 6 H VAL 6 -10.485 -1.074 1.176 40 HA VAL 6 HA VAL 6 -7.690 -0.892 0.948 41 HB VAL 6 HB VAL 6 -9.288 -3.263 1.962 42 HG11 VAL 6 1HG1 VAL 6 -7.280 -3.786 3.283 43 HG12 VAL 6 2HG1 VAL 6 -6.429 -2.446 2.514 44 HG13 VAL 6 3HG1 VAL 6 -6.950 -3.829 1.552 45 HG21 VAL 6 3HG2 VAL 6 -9.939 -1.205 3.109 46 HG22 VAL 6 1HG2 VAL 6 -8.248 -0.850 3.461 47 HG23 VAL 6 2HG2 VAL 6 -9.024 -2.258 4.192 48 H THR 7 H THR 7 -10.011 -3.040 -0.650 49 HA THR 7 HA THR 7 -8.293 -4.808 -1.939 50 HB THR 7 HB THR 7 -10.844 -3.595 -3.046 51 HG1 THR 7 HG1 THR 7 -11.782 -4.870 -1.662 52 HG21 THR 7 3HG2 THR 7 -10.949 -5.638 -4.444 53 HG22 THR 7 1HG2 THR 7 -9.339 -6.084 -3.887 54 HG23 THR 7 2HG2 THR 7 -9.569 -4.619 -4.846 55 H LYS 8 H LYS 8 -9.229 -1.514 -2.930 56 HA LYS 8 HA LYS 8 -7.900 -1.495 -5.408 57 HB2 LYS 8 2HB LYS 8 -9.485 0.244 -4.888 58 HB3 LYS 8 1HB LYS 8 -8.543 0.764 -3.498 59 HG2 LYS 8 2HG LYS 8 -6.818 1.642 -4.888 60 HG3 LYS 8 1HG LYS 8 -7.519 0.907 -6.329 61 HD2 LYS 8 2HD LYS 8 -8.846 3.057 -4.667 62 HD3 LYS 8 1HD LYS 8 -7.958 3.348 -6.163 63 HE2 LYS 8 2HE LYS 8 -10.448 1.660 -5.867 64 HE3 LYS 8 1HE LYS 8 -10.364 3.270 -6.577 65 HZ1 LYS 8 3HZ LYS 8 -10.402 1.499 -8.252 66 HZ2 LYS 8 1HZ LYS 8 -8.955 0.875 -7.639 67 HZ3 LYS 8 2HZ LYS 8 -8.985 2.414 -8.337 68 H ILE 9 H ILE 9 -6.781 -0.484 -2.176 69 HA ILE 9 HA ILE 9 -4.187 0.292 -2.866 70 HB ILE 9 HB ILE 9 -5.151 -0.989 -0.296 71 HG12 ILE 9 2HG1 ILE 9 -4.773 1.923 -1.075 72 HG13 ILE 9 1HG1 ILE 9 -6.314 1.102 -0.845 73 HG21 ILE 9 1HG2 ILE 9 -3.153 0.004 0.749 74 HG22 ILE 9 2HG2 ILE 9 -2.592 0.521 -0.841 75 HG23 ILE 9 3HG2 ILE 9 -2.735 -1.198 -0.473 76 HD11 ILE 9 3HD1 ILE 9 -5.804 0.792 1.516 77 HD12 ILE 9 1HD1 ILE 9 -5.747 2.495 1.060 78 HD13 ILE 9 2HD1 ILE 9 -4.248 1.595 1.290 79 H ILE 10 H ILE 10 -5.379 -2.927 -1.871 80 HA ILE 10 HA ILE 10 -2.954 -4.327 -2.077 81 HB ILE 10 HB ILE 10 -5.759 -5.353 -2.597 82 HG12 ILE 10 2HG1 ILE 10 -4.081 -5.403 -0.066 83 HG13 ILE 10 1HG1 ILE 10 -5.451 -4.338 -0.358 84 HG21 ILE 10 1HG2 ILE 10 -3.224 -6.880 -1.973 85 HG22 ILE 10 2HG2 ILE 10 -4.085 -6.877 -3.513 86 HG23 ILE 10 3HG2 ILE 10 -4.841 -7.578 -2.083 87 HD11 ILE 10 3HD1 ILE 10 -5.565 -7.341 -0.192 88 HD12 ILE 10 1HD1 ILE 10 -6.935 -6.271 -0.481 89 HD13 ILE 10 2HD1 ILE 10 -6.074 -6.206 1.056 90 H SER 11 H SER 11 -5.453 -3.692 -4.529 91 HA SER 11 HA SER 11 -4.288 -5.118 -6.665 92 HG SER 11 HG SER 11 -6.623 -3.759 -8.839 93 HB2 SER 11 2HB SER 11 -6.608 -4.348 -6.748 94 HB3 SER 11 1HB SER 11 -6.077 -2.667 -6.737 95 H ILE 12 H ILE 12 -3.852 -1.768 -5.583 96 HA ILE 12 HA ILE 12 -2.165 -0.881 -7.659 97 HB ILE 12 HB ILE 12 -2.244 -0.023 -4.749 98 HG12 ILE 12 2HG1 ILE 12 -3.489 1.275 -7.191 99 HG13 ILE 12 1HG1 ILE 12 -4.362 0.244 -6.063 100 HG21 ILE 12 1HG2 ILE 12 -1.154 2.060 -5.513 101 HG22 ILE 12 2HG2 ILE 12 -0.947 1.345 -7.113 102 HG23 ILE 12 3HG2 ILE 12 -0.123 0.642 -5.721 103 HD11 ILE 12 3HD1 ILE 12 -4.792 2.565 -5.595 104 HD12 ILE 12 1HD1 ILE 12 -3.066 2.882 -5.425 105 HD13 ILE 12 2HD1 ILE 12 -3.891 1.841 -4.264 106 H VAL 13 H VAL 13 -1.338 -2.242 -4.455 107 HA VAL 13 HA VAL 13 1.451 -2.296 -4.801 108 HB VAL 13 HB VAL 13 -0.236 -4.173 -3.121 109 HG11 VAL 13 1HG1 VAL 13 2.684 -3.432 -2.877 110 HG12 VAL 13 2HG1 VAL 13 2.056 -4.984 -3.430 111 HG13 VAL 13 3HG1 VAL 13 1.783 -4.464 -1.768 112 HG21 VAL 13 3HG2 VAL 13 -0.685 -1.825 -2.595 113 HG22 VAL 13 1HG2 VAL 13 1.042 -1.531 -2.392 114 HG23 VAL 13 2HG2 VAL 13 0.193 -2.608 -1.282 115 H GLN 14 H GLN 14 -0.985 -4.828 -5.452 116 HA GLN 14 HA GLN 14 0.766 -6.830 -6.343 117 HB2 GLN 14 2HB GLN 14 -1.580 -7.314 -5.855 118 HB3 GLN 14 1HB GLN 14 -2.092 -6.290 -7.190 119 HG2 GLN 14 2HG GLN 14 -2.245 -8.622 -7.826 120 HG3 GLN 14 1HG GLN 14 -0.996 -7.823 -8.782 121 HE21 GLN 14 1HE2 GLN 14 0.070 -9.741 -9.234 122 HE22 GLN 14 2HE2 GLN 14 0.973 -10.607 -8.046 123 H GLU 15 H GLU 15 -0.911 -4.276 -8.166 124 HA GLU 15 HA GLU 15 -0.040 -5.055 -10.720 125 HB2 GLU 15 2HB GLU 15 -1.808 -3.247 -9.918 126 HB3 GLU 15 1HB GLU 15 -0.445 -2.151 -10.104 127 HG2 GLU 15 2HG GLU 15 -1.717 -2.125 -12.124 128 HG3 GLU 15 1HG GLU 15 -0.191 -2.950 -12.447 129 H ARG 16 H ARG 16 1.426 -2.877 -8.325 130 HA ARG 16 HA ARG 16 3.647 -2.101 -9.900 131 HE ARG 16 HE ARG 16 5.234 -0.067 -9.301 132 HB2 ARG 16 2HB ARG 16 3.385 -2.296 -6.891 133 HB3 ARG 16 1HB ARG 16 4.718 -1.513 -7.729 134 HG2 ARG 16 2HG ARG 16 1.818 -0.681 -7.819 135 HG3 ARG 16 1HG ARG 16 3.119 0.130 -6.946 136 HD2 ARG 16 2HD ARG 16 2.885 -0.185 -9.945 137 HD3 ARG 16 1HD ARG 16 2.629 1.297 -9.025 138 HH11 ARG 16 1HH1 ARG 16 3.356 2.792 -8.967 139 HH12 ARG 16 2HH1 ARG 16 4.732 3.833 -8.938 140 HH21 ARG 16 1HH2 ARG 16 6.992 1.264 -9.333 141 HH22 ARG 16 2HH2 ARG 16 6.777 2.976 -9.184 142 H GLN 17 H GLN 17 3.229 -4.804 -7.605 143 HA GLN 17 HA GLN 17 5.800 -5.938 -7.959 144 HB2 GLN 17 2HB GLN 17 3.144 -7.181 -7.210 145 HB3 GLN 17 1HB GLN 17 4.653 -8.083 -7.223 146 HG2 GLN 17 2HG GLN 17 4.199 -5.610 -5.562 147 HG3 GLN 17 1HG GLN 17 3.920 -7.253 -4.985 148 HE21 GLN 17 1HE2 GLN 17 5.489 -7.170 -3.421 149 HE22 GLN 17 2HE2 GLN 17 7.174 -7.117 -3.776 150 H ASN 18 H ASN 18 2.869 -6.078 -9.807 151 HA ASN 18 HA ASN 18 3.626 -8.234 -11.535 152 HB2 ASN 18 2HB ASN 18 1.271 -7.367 -10.898 153 HB3 ASN 18 1HB ASN 18 1.540 -6.130 -12.116 154 HD21 ASN 18 1HD2 ASN 18 -0.359 -7.070 -13.071 155 HD22 ASN 18 2HD2 ASN 18 -0.210 -8.478 -14.057 156 H MET 19 H MET 19 4.250 -4.850 -11.430 157 HA MET 19 HA MET 19 5.296 -4.809 -14.180 158 HB2 MET 19 2HB MET 19 4.748 -2.577 -12.210 159 HB3 MET 19 1HB MET 19 5.495 -2.334 -13.784 160 HG2 MET 19 2HG MET 19 2.757 -3.522 -13.367 161 HG3 MET 19 1HG MET 19 3.072 -1.824 -13.725 162 HE1 MET 19 3HE MET 19 4.590 -1.968 -17.310 163 HE2 MET 19 1HE MET 19 5.463 -1.930 -15.780 164 HE3 MET 19 2HE MET 19 4.029 -0.927 -16.000 165 H ASP 20 H ASP 20 6.357 -3.323 -11.100 166 HA ASP 20 HA ASP 20 9.083 -3.223 -11.849 167 HB2 ASP 20 2HB ASP 20 7.827 -3.011 -9.102 168 HB3 ASP 20 1HB ASP 20 9.487 -2.576 -9.496 169 H ASP 21 H ASP 21 7.645 -5.108 -9.174 170 HA ASP 21 HA ASP 21 8.130 -7.118 -8.246 171 HB2 ASP 21 2HB ASP 21 8.025 -7.931 -10.630 172 HB3 ASP 21 1HB ASP 21 9.774 -7.742 -10.711 173 H GLY 22 H GLY 22 11.143 -6.199 -9.980 174 HA2 GLY 22 2HA GLY 22 12.858 -6.900 -7.820 175 HA3 GLY 22 1HA GLY 22 13.298 -5.929 -9.216 176 H ALA 23 H ALA 23 11.147 -3.965 -8.644 177 HA ALA 23 HA ALA 23 12.489 -2.513 -6.461 178 HB1 ALA 23 3HB ALA 23 10.687 -1.448 -8.644 179 HB2 ALA 23 1HB ALA 23 12.448 -1.374 -8.632 180 HB3 ALA 23 2HB ALA 23 11.521 -0.484 -7.425 181 HA PRO 24 HA PRO 24 8.844 -3.208 -3.965 182 HB2 PRO 24 2HB PRO 24 9.770 -1.064 -2.199 183 HB3 PRO 24 1HB PRO 24 9.671 -2.798 -1.888 184 HG2 PRO 24 2HG PRO 24 12.029 -1.482 -2.166 185 HG3 PRO 24 1HG PRO 24 11.817 -3.182 -2.623 186 HD2 PRO 24 2HD PRO 24 11.855 -0.738 -4.363 187 HD3 PRO 24 1HD PRO 24 12.586 -2.333 -4.646 188 H VAL 25 H VAL 25 7.016 -2.003 -3.014 189 HA VAL 25 HA VAL 25 6.149 0.152 -4.759 190 HB VAL 25 HB VAL 25 4.646 -1.127 -2.460 191 HG11 VAL 25 1HG1 VAL 25 2.643 -0.297 -3.594 192 HG12 VAL 25 2HG1 VAL 25 3.644 0.436 -4.848 193 HG13 VAL 25 3HG1 VAL 25 3.733 1.029 -3.189 194 HG21 VAL 25 3HG2 VAL 25 5.317 -2.835 -4.068 195 HG22 VAL 25 1HG2 VAL 25 4.628 -1.890 -5.387 196 HG23 VAL 25 2HG2 VAL 25 3.579 -2.563 -4.139 197 H LYS 26 H LYS 26 5.694 2.251 -4.118 198 HA LYS 26 HA LYS 26 6.863 3.076 -1.545 199 HB2 LYS 26 2HB LYS 26 6.174 4.811 -3.934 200 HB3 LYS 26 1HB LYS 26 7.038 5.318 -2.496 201 HG2 LYS 26 2HG LYS 26 8.620 5.071 -4.252 202 HG3 LYS 26 1HG LYS 26 8.874 3.736 -3.128 203 HD2 LYS 26 2HD LYS 26 7.736 2.206 -4.601 204 HD3 LYS 26 1HD LYS 26 7.241 3.524 -5.663 205 HE2 LYS 26 2HE LYS 26 10.126 2.822 -5.139 206 HE3 LYS 26 1HE LYS 26 9.189 2.132 -6.464 207 HZ1 LYS 26 3HZ LYS 26 8.810 4.369 -7.303 208 HZ2 LYS 26 1HZ LYS 26 10.464 4.032 -7.204 209 HZ3 LYS 26 2HZ LYS 26 9.737 5.020 -6.047 210 H THR 27 H THR 27 5.725 4.385 -0.101 211 HA THR 27 HA THR 27 2.934 4.139 0.092 212 HB THR 27 HB THR 27 4.661 6.292 1.356 213 HG1 THR 27 HG1 THR 27 5.498 4.446 2.136 214 HG21 THR 27 3HG2 THR 27 2.251 6.776 1.519 215 HG22 THR 27 1HG2 THR 27 2.942 6.384 3.093 216 HG23 THR 27 2HG2 THR 27 1.983 5.183 2.228 217 H ARG 28 H ARG 28 4.926 6.505 -1.506 218 HA ARG 28 HA ARG 28 3.133 8.627 -1.873 219 HE ARG 28 HE ARG 28 4.624 11.099 -3.368 220 HB2 ARG 28 2HB ARG 28 5.344 7.638 -3.694 221 HB3 ARG 28 1HB ARG 28 4.553 9.200 -3.839 222 HG2 ARG 28 2HG ARG 28 6.052 8.319 -1.378 223 HG3 ARG 28 1HG ARG 28 6.782 9.235 -2.699 224 HD2 ARG 28 2HD ARG 28 4.417 10.125 -1.034 225 HD3 ARG 28 1HD ARG 28 6.079 10.684 -0.837 226 HH11 ARG 28 1HH1 ARG 28 6.430 12.335 -0.712 227 HH12 ARG 28 2HH1 ARG 28 6.532 13.925 -1.379 228 HH21 ARG 28 1HH2 ARG 28 4.743 13.126 -4.216 229 HH22 ARG 28 2HH2 ARG 28 5.584 14.371 -3.356 230 H ASP 29 H ASP 29 3.941 6.083 -4.261 231 HA ASP 29 HA ASP 29 2.099 6.729 -6.212 232 HB2 ASP 29 2HB ASP 29 2.994 3.932 -5.461 233 HB3 ASP 29 1HB ASP 29 2.378 4.444 -7.031 234 H ILE 30 H ILE 30 1.624 4.582 -3.416 235 HA ILE 30 HA ILE 30 -1.019 3.790 -4.035 236 HB ILE 30 HB ILE 30 0.299 3.990 -1.313 237 HG12 ILE 30 2HG1 ILE 30 0.060 1.632 -3.213 238 HG13 ILE 30 1HG1 ILE 30 1.528 2.561 -2.932 239 HG21 ILE 30 1HG2 ILE 30 -2.150 2.439 -2.189 240 HG22 ILE 30 2HG2 ILE 30 -2.133 3.849 -1.129 241 HG23 ILE 30 3HG2 ILE 30 -1.388 2.341 -0.601 242 HD11 ILE 30 3HD1 ILE 30 1.577 0.476 -1.713 243 HD12 ILE 30 1HD1 ILE 30 0.070 0.892 -0.897 244 HD13 ILE 30 2HD1 ILE 30 1.526 1.840 -0.595 245 H ALA 31 H ALA 31 0.240 6.492 -2.090 246 HA ALA 31 HA ALA 31 -2.238 7.459 -1.149 247 HB1 ALA 31 3HB ALA 31 -0.074 8.116 -0.196 248 HB2 ALA 31 1HB ALA 31 -1.047 9.518 -0.639 249 HB3 ALA 31 2HB ALA 31 0.296 9.015 -1.667 250 H ASP 32 H ASP 32 -0.307 8.444 -3.982 251 HA ASP 32 HA ASP 32 -2.159 10.369 -4.930 252 HB2 ASP 32 2HB ASP 32 0.115 8.892 -6.253 253 HB3 ASP 32 1HB ASP 32 -0.865 10.071 -7.119 254 H ALA 33 H ALA 33 -1.703 6.936 -5.731 255 HA ALA 33 HA ALA 33 -3.564 6.899 -7.884 256 HB1 ALA 33 3HB ALA 33 -1.772 5.245 -7.657 257 HB2 ALA 33 1HB ALA 33 -3.354 4.475 -7.793 258 HB3 ALA 33 2HB ALA 33 -2.559 4.589 -6.220 259 H ALA 34 H ALA 34 -3.864 5.801 -4.486 260 HA ALA 34 HA ALA 34 -6.643 5.108 -4.806 261 HB1 ALA 34 3HB ALA 34 -5.195 3.903 -3.240 262 HB2 ALA 34 1HB ALA 34 -6.590 4.605 -2.420 263 HB3 ALA 34 2HB ALA 34 -5.008 5.371 -2.281 264 H GLY 35 H GLY 35 -4.909 7.961 -3.772 265 HA2 GLY 35 2HA GLY 35 -5.732 10.124 -3.509 266 HA3 GLY 35 1HA GLY 35 -7.364 9.504 -3.707 267 H LEU 36 H LEU 36 -4.722 8.974 -1.357 268 HA LEU 36 HA LEU 36 -6.572 9.690 0.832 269 HG LEU 36 HG LEU 36 -6.837 6.850 -0.416 270 HB2 LEU 36 2HB LEU 36 -4.701 7.312 0.791 271 HB3 LEU 36 1HB LEU 36 -5.632 7.833 2.180 272 HD11 LEU 36 1HD1 LEU 36 -7.378 4.808 0.810 273 HD12 LEU 36 2HD1 LEU 36 -6.507 5.414 2.221 274 HD13 LEU 36 3HD1 LEU 36 -5.634 5.059 0.728 275 HD21 LEU 36 3HD2 LEU 36 -8.295 8.384 0.784 276 HD22 LEU 36 1HD2 LEU 36 -8.092 7.447 2.266 277 HD23 LEU 36 2HD2 LEU 36 -8.917 6.737 0.877 278 H SER 37 H SER 37 -5.507 10.360 2.824 279 HA SER 37 HA SER 37 -3.092 11.853 2.430 280 HG SER 37 HG SER 37 -4.464 13.703 3.604 281 HB2 SER 37 2HB SER 37 -4.646 11.229 4.960 282 HB3 SER 37 1HB SER 37 -3.283 12.346 4.878 283 H ILE 38 H ILE 38 -1.033 11.494 3.339 284 HA ILE 38 HA ILE 38 0.001 8.950 3.111 285 HB ILE 38 HB ILE 38 1.125 11.222 4.767 286 HG12 ILE 38 2HG1 ILE 38 0.718 11.819 2.410 287 HG13 ILE 38 1HG1 ILE 38 2.442 11.744 2.756 288 HG21 ILE 38 1HG2 ILE 38 2.186 9.107 5.369 289 HG22 ILE 38 2HG2 ILE 38 3.308 10.131 4.475 290 HG23 ILE 38 3HG2 ILE 38 2.521 8.773 3.669 291 HD11 ILE 38 3HD1 ILE 38 1.882 10.773 0.592 292 HD12 ILE 38 1HD1 ILE 38 0.845 9.592 1.388 293 HD13 ILE 38 2HD1 ILE 38 2.585 9.578 1.682 294 H TYR 39 H TYR 39 -1.036 10.546 6.130 295 HA TYR 39 HA TYR 39 -0.312 8.511 7.924 296 HD1 TYR 39 HD1 TYR 39 -0.289 8.695 10.385 297 HD2 TYR 39 HD2 TYR 39 -4.281 9.946 9.575 298 HE1 TYR 39 HE1 TYR 39 -1.021 7.738 12.525 299 HE2 TYR 39 HE2 TYR 39 -5.020 8.983 11.715 300 HH TYR 39 HH TYR 39 -4.332 7.322 13.329 301 HB2 TYR 39 2HB TYR 39 -1.004 10.707 8.710 302 HB3 TYR 39 1HB TYR 39 -2.617 10.478 8.043 303 H GLN 40 H GLN 40 -3.502 9.097 6.434 304 HA GLN 40 HA GLN 40 -4.864 6.835 7.248 305 HB2 GLN 40 2HB GLN 40 -5.867 8.744 6.044 306 HB3 GLN 40 1HB GLN 40 -5.032 8.263 4.578 307 HG2 GLN 40 2HG GLN 40 -7.286 7.585 4.370 308 HG3 GLN 40 1HG GLN 40 -6.328 6.131 4.628 309 HE21 GLN 40 1HE2 GLN 40 -9.184 6.749 5.092 310 HE22 GLN 40 2HE2 GLN 40 -9.482 6.331 6.740 311 H VAL 41 H VAL 41 -2.803 7.202 4.368 312 HA VAL 41 HA VAL 41 -3.119 4.612 3.322 313 HB VAL 41 HB VAL 41 -0.708 6.435 3.074 314 HG11 VAL 41 1HG1 VAL 41 -0.231 5.182 1.011 315 HG12 VAL 41 2HG1 VAL 41 -1.574 4.096 1.365 316 HG13 VAL 41 3HG1 VAL 41 -0.171 4.141 2.433 317 HG21 VAL 41 3HG2 VAL 41 -3.148 6.154 1.310 318 HG22 VAL 41 1HG2 VAL 41 -1.725 7.131 0.941 319 HG23 VAL 41 2HG2 VAL 41 -2.740 7.538 2.323 320 H ARG 42 H ARG 42 -0.572 5.920 5.474 321 HA ARG 42 HA ARG 42 0.905 3.560 5.761 322 HE ARG 42 HE ARG 42 2.773 8.364 7.739 323 HB2 ARG 42 2HB ARG 42 0.568 5.898 7.641 324 HB3 ARG 42 1HB ARG 42 1.652 4.556 7.980 325 HG2 ARG 42 2HG ARG 42 2.730 5.077 5.720 326 HG3 ARG 42 1HG ARG 42 1.839 6.600 5.787 327 HD2 ARG 42 2HD ARG 42 3.769 5.610 7.896 328 HD3 ARG 42 1HD ARG 42 4.155 6.794 6.650 329 HH11 ARG 42 1HH1 ARG 42 2.856 5.359 9.452 330 HH12 ARG 42 2HH1 ARG 42 2.409 6.088 10.951 331 HH21 ARG 42 1HH2 ARG 42 2.193 9.269 9.680 332 HH22 ARG 42 2HH2 ARG 42 2.050 8.270 11.083 333 H LEU 43 H LEU 43 -1.962 4.674 7.520 334 HA LEU 43 HA LEU 43 -1.998 2.753 9.551 335 HG LEU 43 HG LEU 43 -3.019 5.693 9.323 336 HB2 LEU 43 2HB LEU 43 -4.317 4.017 8.075 337 HB3 LEU 43 1HB LEU 43 -4.490 3.055 9.530 338 HD11 LEU 43 1HD1 LEU 43 -4.837 6.553 10.719 339 HD12 LEU 43 2HD1 LEU 43 -5.651 4.990 10.631 340 HD13 LEU 43 3HD1 LEU 43 -5.434 5.957 9.170 341 HD21 LEU 43 3HD2 LEU 43 -2.862 5.544 11.781 342 HD22 LEU 43 1HD2 LEU 43 -1.961 4.262 10.971 343 HD23 LEU 43 2HD2 LEU 43 -3.523 3.911 11.710 344 H TYR 44 H TYR 44 -3.515 2.625 6.325 345 HA TYR 44 HA TYR 44 -4.456 -0.034 6.592 346 HD1 TYR 44 HD2 TYR 44 -6.605 0.161 6.229 347 HD2 TYR 44 HD1 TYR 44 -5.325 3.334 3.687 348 HE1 TYR 44 HE2 TYR 44 -8.714 1.344 6.650 349 HE2 TYR 44 HE1 TYR 44 -7.435 4.525 4.114 350 HH TYR 44 HH TYR 44 -9.765 3.962 4.828 351 HB2 TYR 44 2HB TYR 44 -3.867 1.578 4.099 352 HB3 TYR 44 1HB TYR 44 -4.726 0.039 4.113 353 H LEU 45 H LEU 45 -1.447 1.246 5.167 354 HA LEU 45 HA LEU 45 -0.531 -1.226 4.112 355 HG LEU 45 HG LEU 45 -0.501 1.814 3.147 356 HB2 LEU 45 2HB LEU 45 1.046 1.221 4.928 357 HB3 LEU 45 1HB LEU 45 1.679 -0.112 3.977 358 HD11 LEU 45 1HD1 LEU 45 1.110 2.520 1.448 359 HD12 LEU 45 2HD1 LEU 45 2.303 1.405 2.114 360 HD13 LEU 45 3HD1 LEU 45 1.738 2.770 3.077 361 HD21 LEU 45 3HD2 LEU 45 -0.987 -0.410 2.279 362 HD22 LEU 45 1HD2 LEU 45 0.655 -0.544 1.649 363 HD23 LEU 45 2HD2 LEU 45 -0.452 0.656 0.981 364 H GLU 46 H GLU 46 0.336 0.482 7.129 365 HA GLU 46 HA GLU 46 2.129 -1.474 8.066 366 HB2 GLU 46 2HB GLU 46 0.537 0.609 9.573 367 HB3 GLU 46 1HB GLU 46 1.772 -0.402 10.317 368 HG2 GLU 46 2HG GLU 46 3.404 0.509 8.651 369 HG3 GLU 46 1HG GLU 46 2.154 1.636 8.129 370 H GLN 47 H GLN 47 -1.393 -1.179 8.459 371 HA GLN 47 HA GLN 47 -1.644 -3.375 10.252 372 HB2 GLN 47 2HB GLN 47 -3.641 -2.210 8.300 373 HB3 GLN 47 1HB GLN 47 -4.029 -3.448 9.486 374 HG2 GLN 47 2HG GLN 47 -3.032 -0.674 10.120 375 HG3 GLN 47 1HG GLN 47 -4.707 -1.209 10.209 376 HE21 GLN 47 1HE2 GLN 47 -4.903 -0.778 12.377 377 HE22 GLN 47 2HE2 GLN 47 -4.099 -1.696 13.600 378 H LEU 48 H LEU 48 -1.983 -3.178 6.691 379 HA LEU 48 HA LEU 48 -2.387 -5.909 6.208 380 HG LEU 48 HG LEU 48 -3.436 -3.395 4.840 381 HB2 LEU 48 2HB LEU 48 -1.024 -3.816 4.504 382 HB3 LEU 48 1HB LEU 48 -1.393 -5.435 3.939 383 HD11 LEU 48 1HD1 LEU 48 -2.405 -2.766 2.722 384 HD12 LEU 48 2HD1 LEU 48 -4.069 -3.295 2.472 385 HD13 LEU 48 3HD1 LEU 48 -2.730 -4.372 2.068 386 HD21 LEU 48 3HD2 LEU 48 -5.092 -4.981 3.970 387 HD22 LEU 48 1HD2 LEU 48 -4.166 -5.678 5.298 388 HD23 LEU 48 2HD2 LEU 48 -3.806 -6.142 3.635 389 H HIS 49 H HIS 49 0.586 -4.113 6.777 390 HA HIS 49 HA HIS 49 2.387 -6.251 6.279 391 HD1 HIS 49 HD1 HIS 49 4.645 -6.797 6.955 392 HD2 HIS 49 HD2 HIS 49 5.010 -3.362 9.266 393 HE1 HIS 49 HE1 HIS 49 6.798 -7.057 8.209 394 HE2 HIS 49 HE2 HIS 49 7.088 -4.884 9.447 395 HB2 HIS 49 2HB HIS 49 3.268 -4.030 6.346 396 HB3 HIS 49 1HB HIS 49 2.625 -3.748 7.959 397 H ASP 50 H ASP 50 0.769 -5.115 9.221 398 HA ASP 50 HA ASP 50 2.056 -6.855 11.029 399 HB2 ASP 50 2HB ASP 50 0.799 -4.763 11.610 400 HB3 ASP 50 1HB ASP 50 -0.699 -5.633 11.305 401 H VAL 51 H VAL 51 -1.018 -7.169 9.255 402 HA VAL 51 HA VAL 51 -1.693 -9.697 10.417 403 HB VAL 51 HB VAL 51 -3.500 -9.804 8.785 404 HG11 VAL 51 1HG1 VAL 51 -3.860 -8.431 10.751 405 HG12 VAL 51 2HG1 VAL 51 -4.660 -7.701 9.361 406 HG13 VAL 51 3HG1 VAL 51 -3.135 -7.037 9.950 407 HG21 VAL 51 3HG2 VAL 51 -2.208 -7.383 7.523 408 HG22 VAL 51 1HG2 VAL 51 -3.789 -8.033 7.091 409 HG23 VAL 51 2HG2 VAL 51 -2.335 -8.991 6.812 410 H GLY 52 H GLY 52 0.560 -8.855 8.017 411 HA2 GLY 52 2HA GLY 52 2.172 -10.512 7.391 412 HA3 GLY 52 1HA GLY 52 0.912 -11.726 7.449 413 H VAL 53 H VAL 53 -0.128 -8.946 5.777 414 HA VAL 53 HA VAL 53 0.016 -10.318 3.226 415 HB VAL 53 HB VAL 53 -1.039 -7.553 3.886 416 HG11 VAL 53 1HG1 VAL 53 -1.377 -9.201 1.372 417 HG12 VAL 53 2HG1 VAL 53 -0.426 -7.724 1.532 418 HG13 VAL 53 3HG1 VAL 53 -2.179 -7.666 1.711 419 HG21 VAL 53 3HG2 VAL 53 -3.259 -8.565 3.767 420 HG22 VAL 53 1HG2 VAL 53 -2.286 -9.337 5.018 421 HG23 VAL 53 2HG2 VAL 53 -2.537 -10.147 3.473 422 H LEU 54 H LEU 54 1.239 -7.219 4.508 423 HA LEU 54 HA LEU 54 3.076 -7.015 2.210 424 HG LEU 54 HG LEU 54 0.355 -5.438 2.557 425 HB2 LEU 54 2HB LEU 54 2.159 -4.878 4.145 426 HB3 LEU 54 1HB LEU 54 3.260 -4.625 2.804 427 HD11 LEU 54 1HD1 LEU 54 1.723 -2.816 1.943 428 HD12 LEU 54 2HD1 LEU 54 0.641 -3.123 3.301 429 HD13 LEU 54 3HD1 LEU 54 0.025 -3.197 1.651 430 HD21 LEU 54 3HD2 LEU 54 2.405 -4.785 0.435 431 HD22 LEU 54 1HD2 LEU 54 0.686 -5.058 0.151 432 HD23 LEU 54 2HD2 LEU 54 1.699 -6.372 0.751 433 H GLU 55 H GLU 55 5.229 -6.178 2.596 434 HA GLU 55 HA GLU 55 6.274 -6.495 5.332 435 HB2 GLU 55 2HB GLU 55 6.959 -8.459 4.056 436 HB3 GLU 55 1HB GLU 55 7.567 -7.447 2.755 437 HG2 GLU 55 2HG GLU 55 9.375 -8.348 4.116 438 HG3 GLU 55 1HG GLU 55 9.322 -6.589 4.203 439 H LYS 56 H LYS 56 7.776 -4.961 5.980 440 HA LYS 56 HA LYS 56 7.825 -2.545 4.346 441 HB2 LYS 56 2HB LYS 56 7.189 -2.364 6.708 442 HB3 LYS 56 1HB LYS 56 8.745 -3.028 7.187 443 HG2 LYS 56 2HG LYS 56 9.866 -1.070 6.174 444 HG3 LYS 56 1HG LYS 56 8.284 -0.397 5.778 445 HD2 LYS 56 2HD LYS 56 9.159 0.608 7.820 446 HD3 LYS 56 1HD LYS 56 7.715 -0.344 8.170 447 HE2 LYS 56 2HE LYS 56 9.124 -2.193 8.951 448 HE3 LYS 56 1HE LYS 56 10.569 -1.251 8.586 449 HZ1 LYS 56 3HZ LYS 56 10.004 -1.160 10.932 450 HZ2 LYS 56 1HZ LYS 56 8.485 -0.512 10.570 451 HZ3 LYS 56 2HZ LYS 56 9.885 0.371 10.230 452 H VAL 57 H VAL 57 9.378 -2.648 2.813 453 HA VAL 57 HA VAL 57 12.035 -3.649 3.336 454 HB VAL 57 HB VAL 57 11.054 -2.048 0.958 455 HG11 VAL 57 1HG1 VAL 57 13.487 -2.066 1.164 456 HG12 VAL 57 2HG1 VAL 57 12.964 -3.016 -0.225 457 HG13 VAL 57 3HG1 VAL 57 13.479 -3.829 1.254 458 HG21 VAL 57 3HG2 VAL 57 9.728 -4.087 1.239 459 HG22 VAL 57 1HG2 VAL 57 11.207 -5.048 1.295 460 HG23 VAL 57 2HG2 VAL 57 10.765 -4.193 -0.182 461 H ASN 58 H ASN 58 12.939 -2.410 4.970 462 HA ASN 58 HA ASN 58 13.723 0.312 4.225 463 HB2 ASN 58 2HB ASN 58 11.688 0.565 5.586 464 HB3 ASN 58 1HB ASN 58 12.436 -0.367 6.880 465 HD21 ASN 58 1HD2 ASN 58 12.494 2.654 5.127 466 HD22 ASN 58 2HD2 ASN 58 13.407 3.531 6.302 467 H ALA 59 H ALA 59 15.833 0.546 4.477 468 HA ALA 59 HA ALA 59 17.458 -1.425 5.723 469 HB1 ALA 59 3HB ALA 59 19.334 -0.047 5.050 470 HB2 ALA 59 1HB ALA 59 18.250 1.309 4.726 471 HB3 ALA 59 2HB ALA 59 18.155 -0.152 3.740 472 H GLY 60 H GLY 60 16.031 1.506 6.919 473 HA2 GLY 60 2HA GLY 60 16.177 1.236 9.526 474 HA3 GLY 60 1HA GLY 60 17.865 1.608 9.211 475 H LYS 61 H LYS 61 17.398 3.389 10.703 476 HA LYS 61 HA LYS 61 15.596 5.476 10.226 477 HB2 LYS 61 2HB LYS 61 18.307 5.623 11.571 478 HB3 LYS 61 1HB LYS 61 17.006 6.793 11.747 479 HG2 LYS 61 2HG LYS 61 15.644 5.228 12.919 480 HG3 LYS 61 1HG LYS 61 16.741 3.898 12.541 481 HD2 LYS 61 2HD LYS 61 17.066 4.604 14.841 482 HD3 LYS 61 1HD LYS 61 18.502 4.986 13.891 483 HE2 LYS 61 2HE LYS 61 17.638 7.326 13.669 484 HE3 LYS 61 1HE LYS 61 16.334 6.897 14.776 485 HZ1 LYS 61 3HZ LYS 61 19.242 6.946 15.359 486 HZ2 LYS 61 1HZ LYS 61 18.093 6.278 16.406 487 HZ3 LYS 61 2HZ LYS 61 18.040 7.921 16.036 488 H GLY 62 H GLY 62 15.491 6.843 8.552 489 HA2 GLY 62 2HA GLY 62 16.748 8.771 7.535 490 HA3 GLY 62 1HA GLY 62 18.000 7.597 7.153 491 H VAL 63 H VAL 63 16.909 5.551 5.986 492 HA VAL 63 HA VAL 63 16.027 6.532 3.462 493 HB VAL 63 HB VAL 63 15.844 4.163 2.795 494 HG11 VAL 63 1HG1 VAL 63 18.359 4.811 4.337 495 HG12 VAL 63 2HG1 VAL 63 18.008 5.269 2.669 496 HG13 VAL 63 3HG1 VAL 63 18.205 3.568 3.092 497 HG21 VAL 63 3HG2 VAL 63 16.518 3.560 5.682 498 HG22 VAL 63 1HG2 VAL 63 16.437 2.378 4.373 499 HG23 VAL 63 2HG2 VAL 63 14.981 3.231 4.881 500 HA PRO 64 HA PRO 64 11.620 6.514 3.850 501 HB2 PRO 64 2HB PRO 64 10.821 5.694 1.370 502 HB3 PRO 64 1HB PRO 64 11.489 7.300 1.693 503 HG2 PRO 64 2HG PRO 64 12.863 4.862 0.603 504 HG3 PRO 64 1HG PRO 64 12.967 6.545 0.048 505 HD2 PRO 64 2HD PRO 64 14.876 5.436 1.594 506 HD3 PRO 64 1HD PRO 64 14.426 7.148 1.746 507 H GLY 65 H GLY 65 9.773 5.198 4.137 508 HA2 GLY 65 2HA GLY 65 10.296 2.379 4.567 509 HA3 GLY 65 1HA GLY 65 8.803 3.235 4.922 510 H LEU 66 H LEU 66 10.421 1.174 2.724 511 HA LEU 66 HA LEU 66 8.393 1.504 0.632 512 HG LEU 66 HG LEU 66 11.462 2.106 0.571 513 HB2 LEU 66 2HB LEU 66 10.827 -0.288 0.747 514 HB3 LEU 66 1HB LEU 66 9.773 -0.096 -0.642 515 HD11 LEU 66 1HD1 LEU 66 12.834 0.392 -0.503 516 HD12 LEU 66 2HD1 LEU 66 12.849 1.896 -1.421 517 HD13 LEU 66 3HD1 LEU 66 11.872 0.535 -1.974 518 HD21 LEU 66 3HD2 LEU 66 9.802 2.060 -1.955 519 HD22 LEU 66 1HD2 LEU 66 10.850 3.377 -1.428 520 HD23 LEU 66 2HD2 LEU 66 9.427 2.952 -0.478 521 H TRP 67 H TRP 67 7.224 -0.383 -0.203 522 HA TRP 67 HA TRP 67 6.722 -2.433 1.868 523 HD1 TRP 67 HD1 TRP 67 4.848 1.435 1.040 524 HE1 TRP 67 HE1 TRP 67 4.644 2.571 3.340 525 HE3 TRP 67 HE3 TRP 67 4.840 -2.732 3.996 526 HZ2 TRP 67 HZ2 TRP 67 4.502 1.794 6.058 527 HZ3 TRP 67 HZ3 TRP 67 4.670 -2.453 6.431 528 HH2 TRP 67 HH2 TRP 67 4.507 -0.236 7.441 529 HB2 TRP 67 2HB TRP 67 4.605 -1.035 0.209 530 HB3 TRP 67 1HB TRP 67 4.321 -2.279 1.423 531 H ARG 68 H ARG 68 6.190 -4.502 1.169 532 HA ARG 68 HA ARG 68 5.606 -4.978 -1.646 533 HE ARG 68 HE ARG 68 9.586 -8.538 1.129 534 HB2 ARG 68 2HB ARG 68 7.346 -6.599 -2.008 535 HB3 ARG 68 1HB ARG 68 8.092 -5.101 -1.473 536 HG2 ARG 68 2HG ARG 68 8.392 -6.013 0.760 537 HG3 ARG 68 1HG ARG 68 7.564 -7.498 0.286 538 HD2 ARG 68 2HD ARG 68 9.331 -7.865 -1.431 539 HD3 ARG 68 1HD ARG 68 10.182 -6.455 -0.801 540 HH11 ARG 68 1HH1 ARG 68 11.898 -7.245 -1.081 541 HH12 ARG 68 2HH1 ARG 68 13.233 -8.009 -0.297 542 HH21 ARG 68 1HH2 ARG 68 11.301 -9.535 2.102 543 HH22 ARG 68 2HH2 ARG 68 12.897 -9.300 1.476 544 H LEU 69 H LEU 69 4.156 -6.621 -1.905 545 HA LEU 69 HA LEU 69 3.206 -7.999 0.434 546 HG LEU 69 HG LEU 69 2.904 -7.156 -3.136 547 HB2 LEU 69 2HB LEU 69 1.633 -9.116 -1.225 548 HB3 LEU 69 1HB LEU 69 1.487 -7.385 -1.004 549 HD11 LEU 69 1HD1 LEU 69 2.744 -9.043 -4.712 550 HD12 LEU 69 2HD1 LEU 69 2.123 -10.056 -3.408 551 HD13 LEU 69 3HD1 LEU 69 3.758 -9.404 -3.317 552 HD21 LEU 69 3HD2 LEU 69 0.524 -6.654 -3.036 553 HD22 LEU 69 1HD2 LEU 69 0.140 -8.355 -3.323 554 HD23 LEU 69 2HD2 LEU 69 0.951 -7.407 -4.571 555 H LEU 70 H LEU 70 3.314 -10.156 0.938 556 HA LEU 70 HA LEU 70 5.162 -11.793 -0.682 557 HG LEU 70 HG LEU 70 4.095 -12.274 2.883 558 HB2 LEU 70 2HB LEU 70 6.109 -12.769 1.332 559 HB3 LEU 70 1HB LEU 70 6.350 -11.037 1.304 560 HD11 LEU 70 1HD1 LEU 70 5.526 -12.241 4.860 561 HD12 LEU 70 2HD1 LEU 70 6.902 -11.748 3.872 562 HD13 LEU 70 3HD1 LEU 70 6.172 -13.336 3.637 563 HD21 LEU 70 3HD2 LEU 70 3.964 -9.867 2.518 564 HD22 LEU 70 1HD2 LEU 70 5.597 -9.662 3.150 565 HD23 LEU 70 2HD2 LEU 70 4.300 -10.217 4.210 566 H GLU 71 H GLU 71 2.250 -11.676 1.218 567 HA GLU 71 HA GLU 71 1.807 -14.561 0.955 568 HB2 GLU 71 2HB GLU 71 1.334 -13.421 3.117 569 HB3 GLU 71 1HB GLU 71 0.094 -12.464 2.316 570 HG2 GLU 71 2HG GLU 71 -1.066 -14.619 1.741 571 HG3 GLU 71 1HG GLU 71 0.105 -15.446 2.766 Start of MODEL 16 1 HA MET 1 HA MET 1 -21.471 2.246 -5.714 2 H1 MET 1 1H MET 1 -21.653 3.521 -7.748 3 H2 MET 1 2H MET 1 -20.445 2.589 -8.473 4 H3 MET 1 3H MET 1 -20.076 3.565 -7.147 5 HB2 MET 1 2HB MET 1 -21.953 0.670 -8.253 6 HB3 MET 1 1HB MET 1 -22.311 0.040 -6.652 7 HG2 MET 1 2HG MET 1 -23.916 1.820 -6.280 8 HG3 MET 1 1HG MET 1 -23.521 2.528 -7.846 9 HE1 MET 1 3HE MET 1 -24.949 -0.678 -6.037 10 HE2 MET 1 1HE MET 1 -23.755 -1.343 -7.151 11 HE3 MET 1 2HE MET 1 -25.472 -1.643 -7.416 12 H SER 2 H SER 2 -20.550 0.577 -4.517 13 HA SER 2 HA SER 2 -18.962 -0.831 -3.736 14 HG SER 2 HG SER 2 -17.096 -2.725 -5.757 15 HB2 SER 2 2HB SER 2 -19.830 -2.298 -5.501 16 HB3 SER 2 1HB SER 2 -18.679 -1.614 -6.649 17 H GLU 3 H GLU 3 -17.746 1.225 -3.295 18 HA GLU 3 HA GLU 3 -15.163 1.252 -4.719 19 HB2 GLU 3 2HB GLU 3 -16.159 3.444 -4.614 20 HB3 GLU 3 1HB GLU 3 -16.446 3.290 -2.887 21 HG2 GLU 3 2HG GLU 3 -14.556 4.777 -3.428 22 HG3 GLU 3 1HG GLU 3 -14.086 3.409 -2.423 23 H SER 4 H SER 4 -13.935 -0.307 -3.840 24 HA SER 4 HA SER 4 -13.953 -0.790 -0.956 25 HG SER 4 HG SER 4 -14.374 -3.170 -3.484 26 HB2 SER 4 2HB SER 4 -12.516 -2.269 -3.182 27 HB3 SER 4 1HB SER 4 -12.592 -2.778 -1.498 28 H ILE 5 H ILE 5 -12.713 0.658 0.132 29 HA ILE 5 HA ILE 5 -10.489 2.032 -0.917 30 HB ILE 5 HB ILE 5 -11.216 1.554 1.986 31 HG12 ILE 5 2HG1 ILE 5 -13.017 2.652 0.730 32 HG13 ILE 5 1HG1 ILE 5 -12.277 3.779 1.861 33 HG21 ILE 5 1HG2 ILE 5 -8.899 2.260 1.790 34 HG22 ILE 5 2HG2 ILE 5 -9.878 3.564 2.459 35 HG23 ILE 5 3HG2 ILE 5 -9.375 3.617 0.770 36 HD11 ILE 5 3HD1 ILE 5 -11.002 4.771 0.020 37 HD12 ILE 5 1HD1 ILE 5 -12.740 4.850 -0.262 38 HD13 ILE 5 2HD1 ILE 5 -11.766 3.648 -1.106 39 H VAL 6 H VAL 6 -10.606 -0.734 1.351 40 HA VAL 6 HA VAL 6 -7.811 -1.049 1.610 41 HB VAL 6 HB VAL 6 -9.941 -3.189 1.887 42 HG11 VAL 6 1HG1 VAL 6 -8.308 -4.341 3.312 43 HG12 VAL 6 2HG1 VAL 6 -7.119 -3.083 2.974 44 HG13 VAL 6 3HG1 VAL 6 -7.692 -4.128 1.673 45 HG21 VAL 6 3HG2 VAL 6 -10.413 -1.297 3.344 46 HG22 VAL 6 1HG2 VAL 6 -8.759 -1.322 3.951 47 HG23 VAL 6 2HG2 VAL 6 -9.844 -2.667 4.300 48 H THR 7 H THR 7 -10.119 -2.859 -0.450 49 HA THR 7 HA THR 7 -8.233 -4.435 -1.799 50 HB THR 7 HB THR 7 -10.869 -3.437 -2.916 51 HG1 THR 7 HG1 THR 7 -11.656 -5.449 -2.074 52 HG21 THR 7 3HG2 THR 7 -9.218 -5.870 -3.643 53 HG22 THR 7 1HG2 THR 7 -9.384 -4.414 -4.625 54 HG23 THR 7 2HG2 THR 7 -10.786 -5.441 -4.325 55 H LYS 8 H LYS 8 -9.368 -1.151 -2.477 56 HA LYS 8 HA LYS 8 -8.190 -0.743 -4.978 57 HB2 LYS 8 2HB LYS 8 -9.749 0.851 -3.904 58 HB3 LYS 8 1HB LYS 8 -8.520 1.245 -2.712 59 HG2 LYS 8 2HG LYS 8 -8.653 2.985 -4.378 60 HG3 LYS 8 1HG LYS 8 -7.098 2.166 -4.490 61 HD2 LYS 8 2HD LYS 8 -8.018 2.604 -6.706 62 HD3 LYS 8 1HD LYS 8 -7.909 0.872 -6.403 63 HE2 LYS 8 2HE LYS 8 -10.013 1.464 -7.509 64 HE3 LYS 8 1HE LYS 8 -10.296 0.790 -5.907 65 HZ1 LYS 8 3HZ LYS 8 -11.654 2.781 -6.492 66 HZ2 LYS 8 1HZ LYS 8 -10.241 3.705 -6.454 67 HZ3 LYS 8 2HZ LYS 8 -10.789 2.926 -5.052 68 H ILE 9 H ILE 9 -6.843 -0.096 -1.735 69 HA ILE 9 HA ILE 9 -4.250 0.626 -2.501 70 HB ILE 9 HB ILE 9 -5.219 -0.778 -0.000 71 HG12 ILE 9 2HG1 ILE 9 -4.576 2.129 -0.569 72 HG13 ILE 9 1HG1 ILE 9 -6.189 1.449 -0.382 73 HG21 ILE 9 1HG2 ILE 9 -2.545 0.542 -0.472 74 HG22 ILE 9 2HG2 ILE 9 -2.828 -1.188 -0.288 75 HG23 ILE 9 3HG2 ILE 9 -3.127 -0.097 1.065 76 HD11 ILE 9 3HD1 ILE 9 -5.499 2.628 1.613 77 HD12 ILE 9 1HD1 ILE 9 -4.069 1.606 1.752 78 HD13 ILE 9 2HD1 ILE 9 -5.677 0.905 1.948 79 H ILE 10 H ILE 10 -5.464 -2.606 -1.568 80 HA ILE 10 HA ILE 10 -3.107 -4.057 -1.872 81 HB ILE 10 HB ILE 10 -5.942 -4.997 -2.367 82 HG12 ILE 10 2HG1 ILE 10 -4.203 -5.190 0.114 83 HG13 ILE 10 1HG1 ILE 10 -5.518 -4.040 -0.110 84 HG21 ILE 10 1HG2 ILE 10 -3.448 -6.625 -1.852 85 HG22 ILE 10 2HG2 ILE 10 -4.343 -6.544 -3.370 86 HG23 ILE 10 3HG2 ILE 10 -5.090 -7.261 -1.943 87 HD11 ILE 10 3HD1 ILE 10 -5.766 -7.040 0.034 88 HD12 ILE 10 1HD1 ILE 10 -7.095 -5.922 -0.278 89 HD13 ILE 10 2HD1 ILE 10 -6.244 -5.871 1.265 90 H SER 11 H SER 11 -5.624 -3.455 -4.328 91 HA SER 11 HA SER 11 -4.477 -4.948 -6.416 92 HG SER 11 HG SER 11 -6.444 -1.931 -5.768 93 HB2 SER 11 2HB SER 11 -5.925 -3.707 -7.927 94 HB3 SER 11 1HB SER 11 -6.812 -4.066 -6.447 95 H ILE 12 H ILE 12 -4.077 -1.529 -5.547 96 HA ILE 12 HA ILE 12 -2.333 -0.801 -7.637 97 HB ILE 12 HB ILE 12 -2.556 0.318 -4.833 98 HG12 ILE 12 2HG1 ILE 12 -3.711 1.361 -7.439 99 HG13 ILE 12 1HG1 ILE 12 -4.616 0.399 -6.277 100 HG21 ILE 12 1HG2 ILE 12 -0.394 0.899 -5.855 101 HG22 ILE 12 2HG2 ILE 12 -1.430 2.313 -5.674 102 HG23 ILE 12 3HG2 ILE 12 -1.239 1.560 -7.257 103 HD11 ILE 12 3HD1 ILE 12 -5.103 2.768 -6.067 104 HD12 ILE 12 1HD1 ILE 12 -3.401 3.101 -5.745 105 HD13 ILE 12 2HD1 ILE 12 -4.344 2.138 -4.606 106 H VAL 13 H VAL 13 -1.618 -1.939 -4.327 107 HA VAL 13 HA VAL 13 1.159 -1.908 -4.409 108 HB VAL 13 HB VAL 13 -0.655 -3.904 -3.026 109 HG11 VAL 13 1HG1 VAL 13 2.285 -3.368 -2.567 110 HG12 VAL 13 2HG1 VAL 13 1.590 -4.842 -3.240 111 HG13 VAL 13 3HG1 VAL 13 1.265 -4.400 -1.563 112 HG21 VAL 13 3HG2 VAL 13 -1.024 -1.598 -2.320 113 HG22 VAL 13 1HG2 VAL 13 0.700 -1.400 -2.008 114 HG23 VAL 13 2HG2 VAL 13 -0.251 -2.518 -1.031 115 H GLN 14 H GLN 14 -0.969 -4.669 -5.206 116 HA GLN 14 HA GLN 14 1.015 -6.421 -6.109 117 HB2 GLN 14 2HB GLN 14 -1.227 -7.196 -5.631 118 HB3 GLN 14 1HB GLN 14 -1.893 -6.200 -6.918 119 HG2 GLN 14 2HG GLN 14 -0.715 -7.547 -8.583 120 HG3 GLN 14 1HG GLN 14 -0.014 -8.532 -7.297 121 HE21 GLN 14 1HE2 GLN 14 -1.286 -10.057 -6.276 122 HE22 GLN 14 2HE2 GLN 14 -2.854 -10.501 -6.842 123 H GLU 15 H GLU 15 -0.792 -3.936 -7.885 124 HA GLU 15 HA GLU 15 0.141 -4.646 -10.464 125 HB2 GLU 15 2HB GLU 15 -1.836 -3.107 -9.773 126 HB3 GLU 15 1HB GLU 15 -0.627 -1.832 -9.704 127 HG2 GLU 15 2HG GLU 15 -1.728 -1.784 -11.840 128 HG3 GLU 15 1HG GLU 15 -0.052 -2.289 -12.064 129 H ARG 16 H ARG 16 1.303 -2.256 -8.088 130 HA ARG 16 HA ARG 16 3.484 -1.244 -9.522 131 HE ARG 16 HE ARG 16 2.220 0.258 -9.846 132 HB2 ARG 16 2HB ARG 16 3.226 -1.724 -6.543 133 HB3 ARG 16 1HB ARG 16 4.492 -0.762 -7.293 134 HG2 ARG 16 2HG ARG 16 1.561 -0.118 -7.575 135 HG3 ARG 16 1HG ARG 16 2.564 0.512 -6.270 136 HD2 ARG 16 2HD ARG 16 2.555 2.214 -7.885 137 HD3 ARG 16 1HD ARG 16 4.104 1.403 -8.107 138 HH11 ARG 16 1HH1 ARG 16 3.871 3.256 -9.377 139 HH12 ARG 16 2HH1 ARG 16 3.845 3.644 -11.060 140 HH21 ARG 16 1HH2 ARG 16 2.181 0.785 -11.985 141 HH22 ARG 16 2HH2 ARG 16 2.885 2.269 -12.526 142 H GLN 17 H GLN 17 3.229 -4.150 -7.494 143 HA GLN 17 HA GLN 17 5.888 -5.047 -7.721 144 HB2 GLN 17 2HB GLN 17 3.348 -6.682 -7.463 145 HB3 GLN 17 1HB GLN 17 4.976 -7.286 -7.189 146 HG2 GLN 17 2HG GLN 17 3.573 -5.152 -5.592 147 HG3 GLN 17 1HG GLN 17 3.870 -6.816 -5.089 148 HE21 GLN 17 1HE2 GLN 17 5.997 -7.437 -4.591 149 HE22 GLN 17 2HE2 GLN 17 7.216 -6.271 -4.228 150 H ASN 18 H ASN 18 3.063 -5.579 -9.794 151 HA ASN 18 HA ASN 18 4.227 -7.363 -11.620 152 HB2 ASN 18 2HB ASN 18 2.054 -5.302 -12.057 153 HB3 ASN 18 1HB ASN 18 2.467 -6.569 -13.208 154 HD21 ASN 18 1HD2 ASN 18 -0.032 -6.087 -11.843 155 HD22 ASN 18 2HD2 ASN 18 -0.383 -7.529 -10.956 156 H MET 19 H MET 19 4.545 -3.900 -11.311 157 HA MET 19 HA MET 19 5.419 -3.234 -13.893 158 HB2 MET 19 2HB MET 19 6.241 -1.961 -11.278 159 HB3 MET 19 1HB MET 19 6.401 -1.234 -12.868 160 HG2 MET 19 2HG MET 19 3.782 -1.978 -11.580 161 HG3 MET 19 1HG MET 19 4.495 -0.368 -11.565 162 HE1 MET 19 3HE MET 19 3.569 -3.252 -14.231 163 HE2 MET 19 1HE MET 19 2.265 -2.377 -15.029 164 HE3 MET 19 2HE MET 19 2.149 -2.760 -13.307 165 H ASP 20 H ASP 20 7.431 -4.019 -11.026 166 HA ASP 20 HA ASP 20 9.727 -4.423 -12.858 167 HB2 ASP 20 2HB ASP 20 9.834 -2.454 -11.241 168 HB3 ASP 20 1HB ASP 20 9.913 -3.631 -9.946 169 H ASP 21 H ASP 21 10.985 -6.261 -12.614 170 HA ASP 21 HA ASP 21 9.825 -8.555 -11.461 171 HB2 ASP 21 2HB ASP 21 12.705 -8.116 -12.302 172 HB3 ASP 21 1HB ASP 21 11.939 -9.680 -12.026 173 H GLY 22 H GLY 22 9.420 -8.398 -9.301 174 HA2 GLY 22 2HA GLY 22 9.955 -8.676 -7.046 175 HA3 GLY 22 1HA GLY 22 11.658 -8.514 -7.453 176 H ALA 23 H ALA 23 8.967 -6.305 -8.126 177 HA ALA 23 HA ALA 23 10.396 -3.990 -7.385 178 HB1 ALA 23 3HB ALA 23 8.383 -2.792 -7.835 179 HB2 ALA 23 1HB ALA 23 7.400 -4.241 -7.602 180 HB3 ALA 23 2HB ALA 23 8.473 -4.122 -8.991 181 HA PRO 24 HA PRO 24 8.649 -3.429 -3.214 182 HB2 PRO 24 2HB PRO 24 10.228 -1.410 -2.435 183 HB3 PRO 24 1HB PRO 24 10.851 -3.060 -2.545 184 HG2 PRO 24 2HG PRO 24 11.366 -0.738 -4.303 185 HG3 PRO 24 1HG PRO 24 12.365 -2.170 -4.012 186 HD2 PRO 24 2HD PRO 24 10.549 -1.672 -6.203 187 HD3 PRO 24 1HD PRO 24 11.588 -3.087 -5.940 188 H VAL 25 H VAL 25 6.822 -2.226 -2.822 189 HA VAL 25 HA VAL 25 6.024 -0.201 -4.711 190 HB VAL 25 HB VAL 25 4.589 -1.119 -2.207 191 HG11 VAL 25 1HG1 VAL 25 2.579 -0.214 -3.285 192 HG12 VAL 25 2HG1 VAL 25 3.563 0.376 -4.625 193 HG13 VAL 25 3HG1 VAL 25 3.786 1.041 -3.006 194 HG21 VAL 25 3HG2 VAL 25 4.962 -2.995 -3.700 195 HG22 VAL 25 1HG2 VAL 25 4.318 -2.075 -5.060 196 HG23 VAL 25 2HG2 VAL 25 3.260 -2.534 -3.726 197 H LYS 26 H LYS 26 5.866 1.971 -4.437 198 HA LYS 26 HA LYS 26 7.100 3.157 -2.077 199 HB2 LYS 26 2HB LYS 26 6.049 4.523 -4.574 200 HB3 LYS 26 1HB LYS 26 6.999 5.276 -3.304 201 HG2 LYS 26 2HG LYS 26 8.506 4.916 -5.048 202 HG3 LYS 26 1HG LYS 26 8.836 3.612 -3.908 203 HD2 LYS 26 2HD LYS 26 7.636 2.030 -5.266 204 HD3 LYS 26 1HD LYS 26 7.043 3.313 -6.326 205 HE2 LYS 26 2HE LYS 26 9.944 2.531 -5.990 206 HE3 LYS 26 1HE LYS 26 8.905 2.026 -7.323 207 HZ1 LYS 26 3HZ LYS 26 9.621 4.836 -6.672 208 HZ2 LYS 26 1HZ LYS 26 8.655 4.337 -7.965 209 HZ3 LYS 26 2HZ LYS 26 10.288 3.919 -7.924 210 H THR 27 H THR 27 6.001 4.197 -0.492 211 HA THR 27 HA THR 27 3.256 3.956 -0.103 212 HB THR 27 HB THR 27 5.041 6.121 1.058 213 HG1 THR 27 HG1 THR 27 5.964 4.277 1.759 214 HG21 THR 27 3HG2 THR 27 2.634 6.549 1.398 215 HG22 THR 27 1HG2 THR 27 3.449 6.160 2.914 216 HG23 THR 27 2HG2 THR 27 2.458 4.944 2.109 217 H ARG 28 H ARG 28 5.015 6.372 -1.896 218 HA ARG 28 HA ARG 28 3.054 8.404 -2.001 219 HE ARG 28 HE ARG 28 6.787 10.114 -0.278 220 HB2 ARG 28 2HB ARG 28 5.263 7.729 -3.958 221 HB3 ARG 28 1HB ARG 28 4.344 9.230 -3.954 222 HG2 ARG 28 2HG ARG 28 6.115 8.255 -1.712 223 HG3 ARG 28 1HG ARG 28 6.534 9.497 -2.895 224 HD2 ARG 28 2HD ARG 28 4.748 10.917 -2.098 225 HD3 ARG 28 1HD ARG 28 4.192 9.658 -0.997 226 HH11 ARG 28 1HH1 ARG 28 3.982 12.086 -0.616 227 HH12 ARG 28 2HH1 ARG 28 4.454 13.165 0.651 228 HH21 ARG 28 1HH2 ARG 28 7.372 11.493 1.363 229 HH22 ARG 28 2HH2 ARG 28 6.337 12.818 1.771 230 H ASP 29 H ASP 29 3.889 5.914 -4.424 231 HA ASP 29 HA ASP 29 2.052 6.457 -6.380 232 HB2 ASP 29 2HB ASP 29 3.030 3.756 -5.429 233 HB3 ASP 29 1HB ASP 29 2.182 4.022 -6.950 234 H ILE 30 H ILE 30 1.534 4.321 -3.580 235 HA ILE 30 HA ILE 30 -1.037 3.436 -4.227 236 HB ILE 30 HB ILE 30 0.046 3.860 -1.434 237 HG12 ILE 30 2HG1 ILE 30 0.285 1.423 -3.227 238 HG13 ILE 30 1HG1 ILE 30 1.598 2.537 -2.856 239 HG21 ILE 30 1HG2 ILE 30 -2.083 1.983 -2.478 240 HG22 ILE 30 2HG2 ILE 30 -2.355 3.420 -1.491 241 HG23 ILE 30 3HG2 ILE 30 -1.487 2.038 -0.819 242 HD11 ILE 30 3HD1 ILE 30 1.755 0.517 -1.526 243 HD12 ILE 30 1HD1 ILE 30 0.137 0.795 -0.882 244 HD13 ILE 30 2HD1 ILE 30 1.446 1.912 -0.493 245 H ALA 31 H ALA 31 -0.163 6.020 -1.902 246 HA ALA 31 HA ALA 31 -2.771 6.872 -1.338 247 HB1 ALA 31 3HB ALA 31 -0.814 7.501 0.010 248 HB2 ALA 31 1HB ALA 31 -1.756 8.912 -0.471 249 HB3 ALA 31 2HB ALA 31 -0.247 8.534 -1.302 250 H ASP 32 H ASP 32 -0.482 8.033 -3.777 251 HA ASP 32 HA ASP 32 -1.977 10.206 -4.732 252 HB2 ASP 32 2HB ASP 32 0.457 9.748 -5.132 253 HB3 ASP 32 1HB ASP 32 -0.012 8.504 -6.284 254 H ALA 33 H ALA 33 -1.918 6.807 -5.788 255 HA ALA 33 HA ALA 33 -3.702 7.276 -8.009 256 HB1 ALA 33 3HB ALA 33 -2.772 4.670 -6.795 257 HB2 ALA 33 1HB ALA 33 -1.987 5.540 -8.114 258 HB3 ALA 33 2HB ALA 33 -3.597 4.859 -8.343 259 H ALA 34 H ALA 34 -4.059 5.884 -4.758 260 HA ALA 34 HA ALA 34 -6.750 4.980 -5.175 261 HB1 ALA 34 3HB ALA 34 -6.743 4.477 -2.787 262 HB2 ALA 34 1HB ALA 34 -5.235 5.372 -2.593 263 HB3 ALA 34 2HB ALA 34 -5.267 3.899 -3.562 264 H GLY 35 H GLY 35 -5.398 8.040 -4.332 265 HA2 GLY 35 2HA GLY 35 -6.580 10.066 -4.181 266 HA3 GLY 35 1HA GLY 35 -8.072 9.164 -3.971 267 H LEU 36 H LEU 36 -5.444 8.195 -1.997 268 HA LEU 36 HA LEU 36 -6.747 9.410 0.356 269 HG LEU 36 HG LEU 36 -7.224 6.499 -0.666 270 HB2 LEU 36 2HB LEU 36 -4.938 6.993 0.161 271 HB3 LEU 36 1HB LEU 36 -5.627 7.615 1.649 272 HD11 LEU 36 1HD1 LEU 36 -5.921 4.769 0.479 273 HD12 LEU 36 2HD1 LEU 36 -7.648 4.592 0.792 274 HD13 LEU 36 3HD1 LEU 36 -6.593 5.286 2.026 275 HD21 LEU 36 3HD2 LEU 36 -8.478 8.175 0.547 276 HD22 LEU 36 1HD2 LEU 36 -8.061 7.416 2.086 277 HD23 LEU 36 2HD2 LEU 36 -9.100 6.571 0.938 278 H SER 37 H SER 37 -5.194 9.793 2.231 279 HA SER 37 HA SER 37 -2.859 11.272 1.257 280 HG SER 37 HG SER 37 -2.781 13.145 4.225 281 HB2 SER 37 2HB SER 37 -4.326 12.483 2.776 282 HB3 SER 37 1HB SER 37 -4.171 11.213 3.988 283 H ILE 38 H ILE 38 -0.842 11.162 2.581 284 HA ILE 38 HA ILE 38 0.230 8.596 2.361 285 HB ILE 38 HB ILE 38 1.347 10.920 3.947 286 HG12 ILE 38 2HG1 ILE 38 0.904 11.494 1.598 287 HG13 ILE 38 1HG1 ILE 38 2.636 11.417 1.909 288 HG21 ILE 38 1HG2 ILE 38 2.452 8.855 4.575 289 HG22 ILE 38 2HG2 ILE 38 3.539 9.830 3.587 290 HG23 ILE 38 3HG2 ILE 38 2.711 8.443 2.880 291 HD11 ILE 38 3HD1 ILE 38 0.972 9.305 0.545 292 HD12 ILE 38 1HD1 ILE 38 2.699 9.184 0.883 293 HD13 ILE 38 2HD1 ILE 38 2.102 10.417 -0.229 294 H TYR 39 H TYR 39 -0.645 10.357 5.374 295 HA TYR 39 HA TYR 39 0.175 8.343 7.158 296 HD1 TYR 39 HD1 TYR 39 -2.003 11.812 6.132 297 HD2 TYR 39 HD2 TYR 39 -3.418 9.224 9.202 298 HE1 TYR 39 HE1 TYR 39 -4.275 12.693 5.825 299 HE2 TYR 39 HE2 TYR 39 -5.693 10.105 8.904 300 HH TYR 39 HH TYR 39 -6.754 12.218 8.016 301 HB2 TYR 39 2HB TYR 39 -1.074 9.473 8.859 302 HB3 TYR 39 1HB TYR 39 -0.441 10.716 7.787 303 H GLN 40 H GLN 40 -2.947 8.890 5.590 304 HA GLN 40 HA GLN 40 -4.482 6.972 6.918 305 HB2 GLN 40 2HB GLN 40 -5.296 8.770 5.333 306 HB3 GLN 40 1HB GLN 40 -4.747 7.761 4.003 307 HG2 GLN 40 2HG GLN 40 -7.087 7.441 4.243 308 HG3 GLN 40 1HG GLN 40 -6.292 5.975 4.816 309 HE21 GLN 40 1HE2 GLN 40 -8.056 8.820 5.741 310 HE22 GLN 40 2HE2 GLN 40 -8.454 8.301 7.339 311 H VAL 41 H VAL 41 -2.756 6.699 3.821 312 HA VAL 41 HA VAL 41 -3.255 3.986 3.352 313 HB VAL 41 HB VAL 41 -0.877 5.646 2.478 314 HG11 VAL 41 1HG1 VAL 41 -0.609 3.991 0.685 315 HG12 VAL 41 2HG1 VAL 41 -1.900 3.016 1.390 316 HG13 VAL 41 3HG1 VAL 41 -0.395 3.261 2.273 317 HG21 VAL 41 3HG2 VAL 41 -2.148 5.870 0.370 318 HG22 VAL 41 1HG2 VAL 41 -2.981 6.602 1.744 319 HG23 VAL 41 2HG2 VAL 41 -3.507 5.036 1.123 320 H ARG 42 H ARG 42 -0.480 5.536 5.006 321 HA ARG 42 HA ARG 42 0.990 3.204 5.507 322 HE ARG 42 HE ARG 42 2.442 8.263 6.369 323 HB2 ARG 42 2HB ARG 42 0.851 5.782 7.075 324 HB3 ARG 42 1HB ARG 42 1.998 4.495 7.428 325 HG2 ARG 42 2HG ARG 42 2.859 4.723 5.091 326 HG3 ARG 42 1HG ARG 42 1.815 6.132 4.904 327 HD2 ARG 42 2HD ARG 42 3.988 5.824 6.980 328 HD3 ARG 42 1HD ARG 42 4.130 6.747 5.486 329 HH11 ARG 42 1HH1 ARG 42 3.869 6.101 8.648 330 HH12 ARG 42 2HH1 ARG 42 3.566 7.147 9.986 331 HH21 ARG 42 1HH2 ARG 42 2.070 9.593 8.100 332 HH22 ARG 42 2HH2 ARG 42 2.547 9.087 9.684 333 H LEU 43 H LEU 43 -1.800 4.504 7.208 334 HA LEU 43 HA LEU 43 -1.668 2.824 9.488 335 HG LEU 43 HG LEU 43 -2.624 5.795 8.974 336 HB2 LEU 43 2HB LEU 43 -4.077 4.032 8.113 337 HB3 LEU 43 1HB LEU 43 -4.114 3.262 9.688 338 HD11 LEU 43 1HD1 LEU 43 -5.013 6.152 9.125 339 HD12 LEU 43 2HD1 LEU 43 -4.209 6.861 10.525 340 HD13 LEU 43 3HD1 LEU 43 -5.067 5.329 10.684 341 HD21 LEU 43 3HD2 LEU 43 -2.815 4.333 11.609 342 HD22 LEU 43 1HD2 LEU 43 -2.107 5.930 11.371 343 HD23 LEU 43 2HD2 LEU 43 -1.370 4.520 10.614 344 H TYR 44 H TYR 44 -3.507 2.462 6.437 345 HA TYR 44 HA TYR 44 -4.479 -0.135 6.998 346 HD1 TYR 44 HD1 TYR 44 -6.990 -0.443 5.799 347 HD2 TYR 44 HD2 TYR 44 -5.234 3.305 4.806 348 HE1 TYR 44 HE1 TYR 44 -9.137 0.671 6.238 349 HE2 TYR 44 HE2 TYR 44 -7.376 4.430 5.240 350 HH TYR 44 HH TYR 44 -9.791 3.851 5.283 351 HB2 TYR 44 2HB TYR 44 -4.046 1.290 4.364 352 HB3 TYR 44 1HB TYR 44 -4.840 -0.277 4.497 353 H LEU 45 H LEU 45 -1.542 0.932 5.299 354 HA LEU 45 HA LEU 45 -0.617 -1.613 4.510 355 HG LEU 45 HG LEU 45 -0.529 1.343 3.348 356 HB2 LEU 45 2HB LEU 45 0.991 0.854 5.202 357 HB3 LEU 45 1HB LEU 45 1.609 -0.547 4.346 358 HD11 LEU 45 1HD1 LEU 45 1.154 1.979 1.675 359 HD12 LEU 45 2HD1 LEU 45 2.336 0.947 2.482 360 HD13 LEU 45 3HD1 LEU 45 1.675 2.353 3.317 361 HD21 LEU 45 3HD2 LEU 45 0.736 -1.034 1.982 362 HD22 LEU 45 1HD2 LEU 45 -0.386 0.110 1.242 363 HD23 LEU 45 2HD2 LEU 45 -0.927 -0.931 2.560 364 H GLU 46 H GLU 46 -0.167 0.224 7.504 365 HA GLU 46 HA GLU 46 1.633 -1.500 8.797 366 HB2 GLU 46 2HB GLU 46 1.040 0.769 9.600 367 HB3 GLU 46 1HB GLU 46 -0.560 0.185 10.039 368 HG2 GLU 46 2HG GLU 46 0.475 -1.367 11.655 369 HG3 GLU 46 1HG GLU 46 2.059 -0.721 11.234 370 H GLN 47 H GLN 47 -1.923 -1.507 8.715 371 HA GLN 47 HA GLN 47 -2.327 -3.739 10.386 372 HB2 GLN 47 2HB GLN 47 -4.028 -2.804 8.062 373 HB3 GLN 47 1HB GLN 47 -4.546 -3.908 9.325 374 HG2 GLN 47 2HG GLN 47 -3.758 -1.026 9.735 375 HG3 GLN 47 1HG GLN 47 -5.405 -1.640 9.656 376 HE21 GLN 47 1HE2 GLN 47 -5.931 -0.957 11.716 377 HE22 GLN 47 2HE2 GLN 47 -5.280 -1.691 13.138 378 H LEU 48 H LEU 48 -2.199 -3.573 6.809 379 HA LEU 48 HA LEU 48 -2.310 -6.319 6.294 380 HG LEU 48 HG LEU 48 -3.343 -3.796 4.870 381 HB2 LEU 48 2HB LEU 48 -0.891 -4.139 4.752 382 HB3 LEU 48 1HB LEU 48 -1.161 -5.762 4.144 383 HD11 LEU 48 1HD1 LEU 48 -2.345 -4.688 2.163 384 HD12 LEU 48 2HD1 LEU 48 -2.122 -3.092 2.878 385 HD13 LEU 48 3HD1 LEU 48 -3.740 -3.650 2.457 386 HD21 LEU 48 3HD2 LEU 48 -4.845 -5.414 3.784 387 HD22 LEU 48 1HD2 LEU 48 -4.054 -6.102 5.202 388 HD23 LEU 48 2HD2 LEU 48 -3.493 -6.528 3.586 389 H HIS 49 H HIS 49 0.411 -4.316 7.245 390 HA HIS 49 HA HIS 49 2.439 -6.289 6.869 391 HD1 HIS 49 HD1 HIS 49 3.914 -4.586 10.537 392 HD2 HIS 49 HD2 HIS 49 5.483 -5.241 6.746 393 HE1 HIS 49 HE1 HIS 49 6.324 -5.165 10.898 394 HE2 HIS 49 HE2 HIS 49 7.215 -5.705 8.609 395 HB2 HIS 49 2HB HIS 49 2.974 -3.905 7.028 396 HB3 HIS 49 1HB HIS 49 2.355 -3.851 8.673 397 H ASP 50 H ASP 50 0.242 -5.491 9.487 398 HA ASP 50 HA ASP 50 1.535 -7.062 11.503 399 HB2 ASP 50 2HB ASP 50 0.019 -5.082 11.899 400 HB3 ASP 50 1HB ASP 50 -1.340 -6.101 11.439 401 H VAL 51 H VAL 51 -1.191 -7.609 9.303 402 HA VAL 51 HA VAL 51 -1.769 -10.219 10.424 403 HB VAL 51 HB VAL 51 -3.527 -10.360 8.698 404 HG11 VAL 51 1HG1 VAL 51 -4.040 -9.298 10.825 405 HG12 VAL 51 2HG1 VAL 51 -4.906 -8.490 9.520 406 HG13 VAL 51 3HG1 VAL 51 -3.468 -7.745 10.216 407 HG21 VAL 51 3HG2 VAL 51 -2.486 -7.664 7.803 408 HG22 VAL 51 1HG2 VAL 51 -3.969 -8.433 7.234 409 HG23 VAL 51 2HG2 VAL 51 -2.406 -9.170 6.889 410 H GLY 52 H GLY 52 0.730 -9.358 8.569 411 HA2 GLY 52 2HA GLY 52 2.270 -10.743 7.534 412 HA3 GLY 52 1HA GLY 52 1.135 -12.069 7.693 413 H VAL 53 H VAL 53 0.726 -8.976 5.977 414 HA VAL 53 HA VAL 53 0.508 -10.476 3.436 415 HB VAL 53 HB VAL 53 -0.746 -7.813 4.170 416 HG11 VAL 53 1HG1 VAL 53 -0.930 -9.415 1.611 417 HG12 VAL 53 2HG1 VAL 53 -0.159 -7.840 1.814 418 HG13 VAL 53 3HG1 VAL 53 -1.907 -7.995 1.993 419 HG21 VAL 53 3HG2 VAL 53 -2.878 -8.991 4.050 420 HG22 VAL 53 1HG2 VAL 53 -1.825 -9.738 5.252 421 HG23 VAL 53 2HG2 VAL 53 -2.042 -10.502 3.677 422 H LEU 54 H LEU 54 1.765 -7.495 4.921 423 HA LEU 54 HA LEU 54 3.477 -7.106 2.542 424 HG LEU 54 HG LEU 54 0.686 -5.718 2.786 425 HB2 LEU 54 2HB LEU 54 2.372 -5.024 4.431 426 HB3 LEU 54 1HB LEU 54 3.511 -4.695 3.138 427 HD11 LEU 54 1HD1 LEU 54 0.717 -3.398 3.451 428 HD12 LEU 54 2HD1 LEU 54 0.301 -3.517 1.741 429 HD13 LEU 54 3HD1 LEU 54 1.926 -3.025 2.223 430 HD21 LEU 54 3HD2 LEU 54 2.772 -5.000 0.719 431 HD22 LEU 54 1HD2 LEU 54 1.085 -5.396 0.384 432 HD23 LEU 54 2HD2 LEU 54 2.156 -6.616 1.067 433 H GLU 55 H GLU 55 5.572 -6.380 2.794 434 HA GLU 55 HA GLU 55 6.789 -6.594 5.476 435 HB2 GLU 55 2HB GLU 55 7.231 -8.476 3.742 436 HB3 GLU 55 1HB GLU 55 8.191 -7.285 2.883 437 HG2 GLU 55 2HG GLU 55 8.697 -8.134 5.731 438 HG3 GLU 55 1HG GLU 55 9.477 -8.856 4.328 439 H LYS 56 H LYS 56 8.018 -4.802 6.066 440 HA LYS 56 HA LYS 56 7.843 -2.542 4.225 441 HB2 LYS 56 2HB LYS 56 7.231 -2.591 6.786 442 HB3 LYS 56 1HB LYS 56 8.952 -2.316 7.009 443 HG2 LYS 56 2HG LYS 56 7.149 -0.549 5.357 444 HG3 LYS 56 1HG LYS 56 7.545 -0.253 7.046 445 HD2 LYS 56 2HD LYS 56 9.671 -0.507 4.920 446 HD3 LYS 56 1HD LYS 56 8.875 1.025 5.271 447 HE2 LYS 56 2HE LYS 56 10.980 0.874 6.473 448 HE3 LYS 56 1HE LYS 56 9.631 0.876 7.606 449 HZ1 LYS 56 3HZ LYS 56 11.400 -0.758 8.121 450 HZ2 LYS 56 1HZ LYS 56 11.027 -1.583 6.696 451 HZ3 LYS 56 2HZ LYS 56 9.876 -1.459 7.930 452 H VAL 57 H VAL 57 9.443 -2.815 2.732 453 HA VAL 57 HA VAL 57 12.134 -3.545 3.385 454 HB VAL 57 HB VAL 57 10.989 -2.427 0.813 455 HG11 VAL 57 1HG1 VAL 57 12.994 -3.337 -0.268 456 HG12 VAL 57 2HG1 VAL 57 13.634 -3.808 1.308 457 HG13 VAL 57 3HG1 VAL 57 13.410 -2.102 0.921 458 HG21 VAL 57 3HG2 VAL 57 11.515 -5.275 1.678 459 HG22 VAL 57 1HG2 VAL 57 11.021 -4.780 0.057 460 HG23 VAL 57 2HG2 VAL 57 9.938 -4.527 1.426 461 H ASN 58 H ASN 58 13.641 -2.233 4.202 462 HA ASN 58 HA ASN 58 13.865 0.504 3.182 463 HB2 ASN 58 2HB ASN 58 14.257 1.409 5.450 464 HB3 ASN 58 1HB ASN 58 12.634 0.756 5.271 465 HD21 ASN 58 1HD2 ASN 58 15.631 0.510 6.945 466 HD22 ASN 58 2HD2 ASN 58 15.156 -0.760 8.017 467 H ALA 59 H ALA 59 15.891 0.936 2.562 468 HA ALA 59 HA ALA 59 17.966 -1.017 2.963 469 HB1 ALA 59 3HB ALA 59 19.303 0.390 1.491 470 HB2 ALA 59 1HB ALA 59 18.104 1.679 1.610 471 HB3 ALA 59 2HB ALA 59 17.686 0.153 0.829 472 H GLY 60 H GLY 60 17.763 -0.589 5.432 473 HA2 GLY 60 2HA GLY 60 19.292 -0.214 7.173 474 HA3 GLY 60 1HA GLY 60 20.136 0.945 6.164 475 H LYS 61 H LYS 61 20.263 2.540 7.703 476 HA LYS 61 HA LYS 61 17.884 3.439 9.121 477 HB2 LYS 61 2HB LYS 61 19.846 3.269 10.454 478 HB3 LYS 61 1HB LYS 61 20.808 4.164 9.286 479 HG2 LYS 61 2HG LYS 61 19.539 6.204 9.807 480 HG3 LYS 61 1HG LYS 61 18.585 5.301 10.987 481 HD2 LYS 61 2HD LYS 61 21.592 5.578 11.114 482 HD3 LYS 61 1HD LYS 61 20.473 6.656 11.951 483 HE2 LYS 61 2HE LYS 61 20.556 3.658 12.335 484 HE3 LYS 61 1HE LYS 61 21.378 4.818 13.379 485 HZ1 LYS 61 3HZ LYS 61 18.448 4.726 12.901 486 HZ2 LYS 61 1HZ LYS 61 19.251 5.798 13.932 487 HZ3 LYS 61 2HZ LYS 61 19.231 4.144 14.276 488 H GLY 62 H GLY 62 16.766 5.279 8.768 489 HA2 GLY 62 2HA GLY 62 16.143 7.334 7.960 490 HA3 GLY 62 1HA GLY 62 17.843 7.651 7.675 491 H VAL 63 H VAL 63 15.685 5.230 6.201 492 HA VAL 63 HA VAL 63 16.120 6.523 3.578 493 HB VAL 63 HB VAL 63 16.178 4.242 2.559 494 HG11 VAL 63 1HG1 VAL 63 18.335 4.759 4.617 495 HG12 VAL 63 2HG1 VAL 63 18.259 5.460 3.001 496 HG13 VAL 63 3HG1 VAL 63 18.483 3.723 3.198 497 HG21 VAL 63 3HG2 VAL 63 16.371 3.324 5.435 498 HG22 VAL 63 1HG2 VAL 63 16.600 2.305 4.012 499 HG23 VAL 63 2HG2 VAL 63 15.022 3.025 4.337 500 HA PRO 64 HA PRO 64 11.760 6.512 2.766 501 HB2 PRO 64 2HB PRO 64 12.432 5.084 0.217 502 HB3 PRO 64 1HB PRO 64 11.447 6.532 0.472 503 HG2 PRO 64 2HG PRO 64 13.913 6.760 -0.475 504 HG3 PRO 64 1HG PRO 64 13.311 7.912 0.735 505 HD2 PRO 64 2HD PRO 64 15.194 5.606 1.084 506 HD3 PRO 64 1HD PRO 64 15.212 7.206 1.856 507 H GLY 65 H GLY 65 10.188 5.217 3.507 508 HA2 GLY 65 2HA GLY 65 10.640 2.400 3.909 509 HA3 GLY 65 1HA GLY 65 9.217 3.310 4.380 510 H LEU 66 H LEU 66 10.497 1.069 2.194 511 HA LEU 66 HA LEU 66 8.307 1.399 0.262 512 HG LEU 66 HG LEU 66 11.399 1.943 -0.067 513 HB2 LEU 66 2HB LEU 66 10.723 -0.424 0.184 514 HB3 LEU 66 1HB LEU 66 9.553 -0.218 -1.109 515 HD11 LEU 66 1HD1 LEU 66 12.626 0.210 -1.271 516 HD12 LEU 66 2HD1 LEU 66 12.566 1.707 -2.204 517 HD13 LEU 66 3HD1 LEU 66 11.514 0.357 -2.634 518 HD21 LEU 66 3HD2 LEU 66 9.478 1.950 -2.399 519 HD22 LEU 66 1HD2 LEU 66 10.631 3.229 -2.013 520 HD23 LEU 66 2HD2 LEU 66 9.308 2.867 -0.903 521 H TRP 67 H TRP 67 7.086 -0.535 -0.408 522 HA TRP 67 HA TRP 67 6.745 -2.456 1.813 523 HD1 TRP 67 HD1 TRP 67 5.110 1.284 0.816 524 HE1 TRP 67 HE1 TRP 67 4.808 2.557 3.026 525 HE3 TRP 67 HE3 TRP 67 4.400 -2.693 3.951 526 HZ2 TRP 67 HZ2 TRP 67 4.331 1.961 5.745 527 HZ3 TRP 67 HZ3 TRP 67 4.030 -2.253 6.345 528 HH2 TRP 67 HH2 TRP 67 3.996 0.026 7.223 529 HB2 TRP 67 2HB TRP 67 4.559 -1.233 0.102 530 HB3 TRP 67 1HB TRP 67 4.321 -2.411 1.390 531 H ARG 68 H ARG 68 7.070 -4.491 1.238 532 HA ARG 68 HA ARG 68 6.558 -5.331 -1.555 533 HE ARG 68 HE ARG 68 9.390 -9.472 -2.670 534 HB2 ARG 68 2HB ARG 68 8.931 -5.415 -1.073 535 HB3 ARG 68 1HB ARG 68 8.645 -6.294 0.422 536 HG2 ARG 68 2HG ARG 68 7.805 -8.206 -0.889 537 HG3 ARG 68 1HG ARG 68 8.173 -7.323 -2.375 538 HD2 ARG 68 2HD ARG 68 10.539 -7.245 -1.743 539 HD3 ARG 68 1HD ARG 68 10.172 -8.107 -0.249 540 HH11 ARG 68 1HH1 ARG 68 11.804 -9.066 -0.238 541 HH12 ARG 68 2HH1 ARG 68 12.611 -10.542 -0.652 542 HH21 ARG 68 1HH2 ARG 68 10.434 -11.376 -3.163 543 HH22 ARG 68 2HH2 ARG 68 11.847 -11.825 -2.272 544 H LEU 69 H LEU 69 5.023 -6.890 -1.809 545 HA LEU 69 HA LEU 69 3.798 -8.047 0.534 546 HG LEU 69 HG LEU 69 3.874 -7.616 -3.148 547 HB2 LEU 69 2HB LEU 69 2.274 -9.169 -1.114 548 HB3 LEU 69 1HB LEU 69 2.278 -7.418 -1.151 549 HD11 LEU 69 1HD1 LEU 69 2.862 -10.456 -3.086 550 HD12 LEU 69 2HD1 LEU 69 4.538 -9.928 -2.934 551 HD13 LEU 69 3HD1 LEU 69 3.677 -9.698 -4.455 552 HD21 LEU 69 3HD2 LEU 69 1.537 -6.931 -3.337 553 HD22 LEU 69 1HD2 LEU 69 1.043 -8.623 -3.434 554 HD23 LEU 69 2HD2 LEU 69 2.031 -7.916 -4.714 555 H LEU 70 H LEU 70 3.583 -10.262 1.017 556 HA LEU 70 HA LEU 70 5.353 -12.133 -0.369 557 HG LEU 70 HG LEU 70 4.716 -12.310 3.364 558 HB2 LEU 70 2HB LEU 70 6.461 -12.894 1.637 559 HB3 LEU 70 1HB LEU 70 6.744 -11.182 1.418 560 HD11 LEU 70 1HD1 LEU 70 6.339 -11.813 5.113 561 HD12 LEU 70 2HD1 LEU 70 7.517 -11.317 3.897 562 HD13 LEU 70 3HD1 LEU 70 6.982 -12.997 3.976 563 HD21 LEU 70 3HD2 LEU 70 5.879 -9.537 3.066 564 HD22 LEU 70 1HD2 LEU 70 4.770 -10.058 4.334 565 HD23 LEU 70 2HD2 LEU 70 4.235 -10.022 2.657 566 H GLU 71 H GLU 71 4.542 -14.141 -0.507 567 HA GLU 71 HA GLU 71 2.042 -14.683 0.972 568 HB2 GLU 71 2HB GLU 71 1.819 -16.276 -1.238 569 HB3 GLU 71 1HB GLU 71 1.129 -14.668 -1.085 570 HG2 GLU 71 2HG GLU 71 2.210 -14.757 -3.191 571 HG3 GLU 71 1HG GLU 71 3.217 -13.762 -2.145 Start of MODEL 17 1 HA MET 1 HA MET 1 -12.725 2.701 6.866 2 H1 MET 1 1H MET 1 -11.000 1.537 8.976 3 H2 MET 1 2H MET 1 -11.775 3.039 9.033 4 H3 MET 1 3H MET 1 -10.553 2.763 7.900 5 HB2 MET 1 2HB MET 1 -12.475 0.575 5.702 6 HB3 MET 1 1HB MET 1 -10.900 1.309 5.959 7 HG2 MET 1 2HG MET 1 -10.409 -0.211 7.747 8 HG3 MET 1 1HG MET 1 -12.050 -0.857 7.713 9 HE1 MET 1 3HE MET 1 -11.036 -3.326 7.615 10 HE2 MET 1 1HE MET 1 -9.393 -2.677 7.614 11 HE3 MET 1 2HE MET 1 -9.877 -3.856 6.395 12 H SER 2 H SER 2 -14.839 2.043 6.851 13 HA SER 2 HA SER 2 -15.718 0.140 8.927 14 HG SER 2 HG SER 2 -17.752 2.693 9.674 15 HB2 SER 2 2HB SER 2 -17.328 2.108 7.268 16 HB3 SER 2 1HB SER 2 -18.020 0.976 8.431 17 H GLU 3 H GLU 3 -15.935 0.829 5.447 18 HA GLU 3 HA GLU 3 -16.838 -1.926 4.947 19 HB2 GLU 3 2HB GLU 3 -16.596 0.461 3.099 20 HB3 GLU 3 1HB GLU 3 -17.026 -1.152 2.554 21 HG2 GLU 3 2HG GLU 3 -19.032 0.094 2.751 22 HG3 GLU 3 1HG GLU 3 -19.001 -1.069 4.072 23 H SER 4 H SER 4 -15.755 -3.098 3.113 24 HA SER 4 HA SER 4 -12.925 -3.186 3.541 25 HG SER 4 HG SER 4 -15.260 -5.284 3.460 26 HB2 SER 4 2HB SER 4 -14.597 -4.610 1.451 27 HB3 SER 4 1HB SER 4 -12.927 -4.994 1.868 28 H ILE 5 H ILE 5 -12.102 -1.176 2.906 29 HA ILE 5 HA ILE 5 -12.203 -0.515 0.035 30 HB ILE 5 HB ILE 5 -12.740 1.297 1.605 31 HG12 ILE 5 2HG1 ILE 5 -10.103 1.726 0.160 32 HG13 ILE 5 1HG1 ILE 5 -11.707 1.875 -0.553 33 HG21 ILE 5 1HG2 ILE 5 -11.411 0.581 3.513 34 HG22 ILE 5 2HG2 ILE 5 -11.028 2.246 3.082 35 HG23 ILE 5 3HG2 ILE 5 -9.921 0.948 2.638 36 HD11 ILE 5 3HD1 ILE 5 -10.801 4.052 -0.076 37 HD12 ILE 5 1HD1 ILE 5 -10.540 3.611 1.611 38 HD13 ILE 5 2HD1 ILE 5 -12.181 3.741 0.978 39 H VAL 6 H VAL 6 -10.106 -1.804 2.449 40 HA VAL 6 HA VAL 6 -7.580 -1.027 1.579 41 HB VAL 6 HB VAL 6 -8.321 -3.676 2.843 42 HG11 VAL 6 1HG1 VAL 6 -6.006 -3.667 3.687 43 HG12 VAL 6 2HG1 VAL 6 -5.683 -2.203 2.757 44 HG13 VAL 6 3HG1 VAL 6 -6.067 -3.709 1.924 45 HG21 VAL 6 3HG2 VAL 6 -9.151 -1.790 4.153 46 HG22 VAL 6 1HG2 VAL 6 -7.550 -1.053 4.132 47 HG23 VAL 6 2HG2 VAL 6 -7.807 -2.578 4.979 48 H THR 7 H THR 7 -9.688 -3.515 0.253 49 HA THR 7 HA THR 7 -7.915 -5.107 -1.146 50 HB THR 7 HB THR 7 -10.591 -4.205 -2.245 51 HG1 THR 7 HG1 THR 7 -11.356 -6.109 -1.100 52 HG21 THR 7 3HG2 THR 7 -9.012 -6.760 -2.636 53 HG22 THR 7 1HG2 THR 7 -9.215 -5.480 -3.833 54 HG23 THR 7 2HG2 THR 7 -10.608 -6.423 -3.306 55 H LYS 8 H LYS 8 -9.293 -1.987 -2.164 56 HA LYS 8 HA LYS 8 -8.152 -1.717 -4.681 57 HB2 LYS 8 2HB LYS 8 -9.735 -0.090 -3.855 58 HB3 LYS 8 1HB LYS 8 -8.665 0.359 -2.536 59 HG2 LYS 8 2HG LYS 8 -7.043 1.219 -4.228 60 HG3 LYS 8 1HG LYS 8 -8.243 0.895 -5.477 61 HD2 LYS 8 2HD LYS 8 -8.871 2.632 -3.099 62 HD3 LYS 8 1HD LYS 8 -8.075 3.285 -4.529 63 HE2 LYS 8 2HE LYS 8 -10.481 3.668 -4.616 64 HE3 LYS 8 1HE LYS 8 -9.971 2.590 -5.912 65 HZ1 LYS 8 3HZ LYS 8 -10.866 0.740 -4.774 66 HZ2 LYS 8 1HZ LYS 8 -12.051 1.942 -4.739 67 HZ3 LYS 8 2HZ LYS 8 -11.132 1.624 -3.358 68 H ILE 9 H ILE 9 -6.790 -0.729 -1.546 69 HA ILE 9 HA ILE 9 -4.319 0.221 -2.460 70 HB ILE 9 HB ILE 9 -5.024 -1.000 0.220 71 HG12 ILE 9 2HG1 ILE 9 -4.918 1.889 -0.709 72 HG13 ILE 9 1HG1 ILE 9 -6.382 0.965 -0.388 73 HG21 ILE 9 1HG2 ILE 9 -3.058 0.193 1.096 74 HG22 ILE 9 2HG2 ILE 9 -2.631 0.679 -0.545 75 HG23 ILE 9 3HG2 ILE 9 -2.612 -1.027 -0.097 76 HD11 ILE 9 3HD1 ILE 9 -4.290 1.724 1.640 77 HD12 ILE 9 1HD1 ILE 9 -5.757 0.801 1.968 78 HD13 ILE 9 2HD1 ILE 9 -5.871 2.478 1.436 79 H ILE 10 H ILE 10 -5.210 -3.039 -1.297 80 HA ILE 10 HA ILE 10 -2.698 -4.260 -1.525 81 HB ILE 10 HB ILE 10 -5.415 -5.528 -1.977 82 HG12 ILE 10 2HG1 ILE 10 -3.742 -5.325 0.549 83 HG13 ILE 10 1HG1 ILE 10 -5.211 -4.413 0.219 84 HG21 ILE 10 1HG2 ILE 10 -2.760 -6.813 -1.303 85 HG22 ILE 10 2HG2 ILE 10 -3.622 -6.938 -2.839 86 HG23 ILE 10 3HG2 ILE 10 -4.314 -7.647 -1.381 87 HD11 ILE 10 3HD1 ILE 10 -5.033 -7.407 0.489 88 HD12 ILE 10 1HD1 ILE 10 -6.500 -6.472 0.199 89 HD13 ILE 10 2HD1 ILE 10 -5.621 -6.284 1.715 90 H SER 11 H SER 11 -5.281 -3.893 -3.941 91 HA SER 11 HA SER 11 -4.013 -5.307 -6.038 92 HG SER 11 HG SER 11 -6.512 -4.291 -8.229 93 HB2 SER 11 2HB SER 11 -6.417 -4.735 -6.073 94 HB3 SER 11 1HB SER 11 -6.009 -3.031 -6.246 95 H ILE 12 H ILE 12 -3.913 -1.875 -5.121 96 HA ILE 12 HA ILE 12 -2.352 -0.960 -7.287 97 HB ILE 12 HB ILE 12 -2.494 0.126 -4.460 98 HG12 ILE 12 2HG1 ILE 12 -3.975 1.016 -6.956 99 HG13 ILE 12 1HG1 ILE 12 -4.671 -0.011 -5.709 100 HG21 ILE 12 1HG2 ILE 12 -0.507 0.957 -5.611 101 HG22 ILE 12 2HG2 ILE 12 -1.701 2.244 -5.436 102 HG23 ILE 12 3HG2 ILE 12 -1.491 1.442 -6.993 103 HD11 ILE 12 3HD1 ILE 12 -3.693 2.810 -5.313 104 HD12 ILE 12 1HD1 ILE 12 -4.426 1.778 -4.081 105 HD13 ILE 12 2HD1 ILE 12 -5.375 2.302 -5.473 106 H VAL 13 H VAL 13 -1.365 -2.110 -4.044 107 HA VAL 13 HA VAL 13 1.404 -1.902 -4.285 108 HB VAL 13 HB VAL 13 -0.192 -4.105 -2.933 109 HG11 VAL 13 1HG1 VAL 13 2.716 -3.360 -2.570 110 HG12 VAL 13 2HG1 VAL 13 2.105 -4.843 -3.302 111 HG13 VAL 13 3HG1 VAL 13 1.826 -4.525 -1.591 112 HG21 VAL 13 3HG2 VAL 13 -0.696 -1.864 -2.080 113 HG22 VAL 13 1HG2 VAL 13 1.022 -1.580 -1.797 114 HG23 VAL 13 2HG2 VAL 13 0.171 -2.823 -0.879 115 H GLN 14 H GLN 14 -0.634 -4.702 -5.104 116 HA GLN 14 HA GLN 14 1.300 -6.328 -6.268 117 HB2 GLN 14 2HB GLN 14 -0.959 -7.080 -5.682 118 HB3 GLN 14 1HB GLN 14 -1.639 -6.077 -6.956 119 HG2 GLN 14 2HG GLN 14 -0.549 -7.430 -8.646 120 HG3 GLN 14 1HG GLN 14 0.240 -8.394 -7.396 121 HE21 GLN 14 1HE2 GLN 14 -1.006 -9.835 -6.179 122 HE22 GLN 14 2HE2 GLN 14 -2.557 -10.368 -6.713 123 H GLU 15 H GLU 15 -0.747 -3.854 -7.796 124 HA GLU 15 HA GLU 15 0.026 -4.230 -10.455 125 HB2 GLU 15 2HB GLU 15 -1.871 -2.792 -9.642 126 HB3 GLU 15 1HB GLU 15 -0.687 -1.585 -9.157 127 HG2 GLU 15 2HG GLU 15 -1.543 -0.896 -11.250 128 HG3 GLU 15 1HG GLU 15 0.080 -1.514 -11.551 129 H ARG 16 H ARG 16 1.322 -1.905 -8.085 130 HA ARG 16 HA ARG 16 3.354 -0.743 -9.533 131 HE ARG 16 HE ARG 16 3.017 1.417 -9.597 132 HB2 ARG 16 2HB ARG 16 3.316 -1.532 -6.612 133 HB3 ARG 16 1HB ARG 16 4.531 -0.478 -7.322 134 HG2 ARG 16 2HG ARG 16 1.691 0.285 -7.736 135 HG3 ARG 16 1HG ARG 16 2.332 0.431 -6.100 136 HD2 ARG 16 2HD ARG 16 2.573 2.527 -7.316 137 HD3 ARG 16 1HD ARG 16 4.146 1.841 -6.922 138 HH11 ARG 16 1HH1 ARG 16 5.412 2.836 -7.556 139 HH12 ARG 16 2HH1 ARG 16 6.435 3.270 -8.881 140 HH21 ARG 16 1HH2 ARG 16 4.329 2.043 -11.295 141 HH22 ARG 16 2HH2 ARG 16 5.821 2.847 -10.961 142 H GLN 17 H GLN 17 3.361 -3.888 -7.924 143 HA GLN 17 HA GLN 17 6.114 -4.439 -8.482 144 HB2 GLN 17 2HB GLN 17 3.858 -6.268 -7.636 145 HB3 GLN 17 1HB GLN 17 5.555 -6.739 -7.717 146 HG2 GLN 17 2HG GLN 17 6.127 -5.055 -6.054 147 HG3 GLN 17 1HG GLN 17 4.449 -4.525 -5.991 148 HE21 GLN 17 1HE2 GLN 17 4.280 -4.954 -3.805 149 HE22 GLN 17 2HE2 GLN 17 4.196 -6.558 -3.185 150 H ASN 18 H ASN 18 3.054 -5.460 -10.062 151 HA ASN 18 HA ASN 18 4.166 -7.079 -12.059 152 HB2 ASN 18 2HB ASN 18 1.722 -5.295 -12.137 153 HB3 ASN 18 1HB ASN 18 2.172 -6.348 -13.474 154 HD21 ASN 18 1HD2 ASN 18 0.816 -6.187 -10.318 155 HD22 ASN 18 2HD2 ASN 18 0.359 -7.846 -10.212 156 H MET 19 H MET 19 4.153 -3.617 -11.750 157 HA MET 19 HA MET 19 4.775 -3.004 -14.464 158 HB2 MET 19 2HB MET 19 5.094 -1.378 -11.932 159 HB3 MET 19 1HB MET 19 5.321 -0.743 -13.557 160 HG2 MET 19 2HG MET 19 2.756 -1.900 -12.473 161 HG3 MET 19 1HG MET 19 3.122 -0.184 -12.648 162 HE1 MET 19 3HE MET 19 0.504 -1.567 -13.866 163 HE2 MET 19 1HE MET 19 0.449 -0.795 -15.451 164 HE3 MET 19 2HE MET 19 0.873 0.151 -14.026 165 H ASP 20 H ASP 20 6.779 -3.542 -11.578 166 HA ASP 20 HA ASP 20 9.181 -3.353 -13.294 167 HB2 ASP 20 2HB ASP 20 8.815 -2.254 -10.503 168 HB3 ASP 20 1HB ASP 20 10.382 -2.412 -11.283 169 H ASP 21 H ASP 21 7.498 -5.629 -12.100 170 HA ASP 21 HA ASP 21 7.829 -7.754 -11.415 171 HB2 ASP 21 2HB ASP 21 9.459 -7.776 -13.226 172 HB3 ASP 21 1HB ASP 21 10.702 -7.146 -12.150 173 H GLY 22 H GLY 22 11.061 -6.875 -10.279 174 HA2 GLY 22 2HA GLY 22 10.343 -7.693 -7.571 175 HA3 GLY 22 1HA GLY 22 11.953 -7.286 -8.153 176 H ALA 23 H ALA 23 8.812 -5.626 -7.819 177 HA ALA 23 HA ALA 23 10.257 -3.127 -7.327 178 HB1 ALA 23 3HB ALA 23 8.493 -3.327 -9.096 179 HB2 ALA 23 1HB ALA 23 8.273 -1.996 -7.959 180 HB3 ALA 23 2HB ALA 23 7.308 -3.464 -7.803 181 HA PRO 24 HA PRO 24 8.819 -3.186 -3.007 182 HB2 PRO 24 2HB PRO 24 10.472 -1.245 -2.138 183 HB3 PRO 24 1HB PRO 24 11.050 -2.897 -2.396 184 HG2 PRO 24 2HG PRO 24 11.320 -0.495 -4.175 185 HG3 PRO 24 1HG PRO 24 12.537 -1.718 -3.757 186 HD2 PRO 24 2HD PRO 24 11.109 -1.748 -6.095 187 HD3 PRO 24 1HD PRO 24 11.753 -3.211 -5.322 188 H VAL 25 H VAL 25 6.919 -2.139 -2.642 189 HA VAL 25 HA VAL 25 6.183 0.071 -4.337 190 HB VAL 25 HB VAL 25 4.596 -1.262 -2.129 191 HG11 VAL 25 1HG1 VAL 25 2.627 -0.300 -3.241 192 HG12 VAL 25 2HG1 VAL 25 3.681 0.542 -4.376 193 HG13 VAL 25 3HG1 VAL 25 3.723 0.956 -2.663 194 HG21 VAL 25 3HG2 VAL 25 5.214 -2.866 -3.837 195 HG22 VAL 25 1HG2 VAL 25 4.658 -1.775 -5.107 196 HG23 VAL 25 2HG2 VAL 25 3.500 -2.484 -3.983 197 H LYS 26 H LYS 26 6.023 2.175 -3.864 198 HA LYS 26 HA LYS 26 7.007 3.099 -1.276 199 HB2 LYS 26 2HB LYS 26 6.313 4.671 -3.778 200 HB3 LYS 26 1HB LYS 26 7.075 5.327 -2.342 201 HG2 LYS 26 2HG LYS 26 8.744 5.018 -4.035 202 HG3 LYS 26 1HG LYS 26 9.031 3.848 -2.746 203 HD2 LYS 26 2HD LYS 26 8.112 2.067 -4.057 204 HD3 LYS 26 1HD LYS 26 7.521 3.191 -5.279 205 HE2 LYS 26 2HE LYS 26 10.441 2.794 -4.640 206 HE3 LYS 26 1HE LYS 26 9.589 1.926 -5.917 207 HZ1 LYS 26 3HZ LYS 26 9.989 4.863 -5.740 208 HZ2 LYS 26 1HZ LYS 26 9.037 4.095 -6.910 209 HZ3 LYS 26 2HZ LYS 26 10.700 3.805 -6.854 210 H THR 27 H THR 27 5.759 4.029 0.264 211 HA THR 27 HA THR 27 3.040 3.697 0.457 212 HB THR 27 HB THR 27 4.620 5.933 1.761 213 HG1 THR 27 HG1 THR 27 5.218 4.451 3.244 214 HG21 THR 27 3HG2 THR 27 2.039 4.592 2.605 215 HG22 THR 27 1HG2 THR 27 2.192 6.237 1.987 216 HG23 THR 27 2HG2 THR 27 2.920 5.805 3.535 217 H ARG 28 H ARG 28 4.724 6.488 -0.916 218 HA ARG 28 HA ARG 28 2.399 8.138 -1.096 219 HE ARG 28 HE ARG 28 7.138 8.995 -0.195 220 HB2 ARG 28 2HB ARG 28 5.186 8.330 -2.222 221 HB3 ARG 28 1HB ARG 28 3.944 9.502 -2.652 222 HG2 ARG 28 2HG ARG 28 3.709 10.195 -0.368 223 HG3 ARG 28 1HG ARG 28 4.756 8.890 0.190 224 HD2 ARG 28 2HD ARG 28 5.674 11.072 -1.677 225 HD3 ARG 28 1HD ARG 28 5.823 11.169 0.076 226 HH11 ARG 28 1HH1 ARG 28 7.106 11.510 -2.548 227 HH12 ARG 28 2HH1 ARG 28 8.689 11.124 -3.129 228 HH21 ARG 28 1HH2 ARG 28 9.169 8.545 -0.903 229 HH22 ARG 28 2HH2 ARG 28 9.849 9.459 -2.201 230 H ASP 29 H ASP 29 3.863 5.792 -3.286 231 HA ASP 29 HA ASP 29 2.701 6.510 -5.710 232 HB2 ASP 29 2HB ASP 29 3.152 3.727 -4.596 233 HB3 ASP 29 1HB ASP 29 2.765 4.075 -6.276 234 H ILE 30 H ILE 30 1.351 4.453 -3.156 235 HA ILE 30 HA ILE 30 -1.125 3.918 -4.409 236 HB ILE 30 HB ILE 30 -0.488 3.932 -1.448 237 HG12 ILE 30 2HG1 ILE 30 -0.317 1.675 -3.468 238 HG13 ILE 30 1HG1 ILE 30 1.060 2.521 -2.773 239 HG21 ILE 30 1HG2 ILE 30 -2.347 2.342 -1.251 240 HG22 ILE 30 2HG2 ILE 30 -2.674 2.507 -2.978 241 HG23 ILE 30 3HG2 ILE 30 -2.893 3.888 -1.901 242 HD11 ILE 30 3HD1 ILE 30 0.735 0.392 -1.697 243 HD12 ILE 30 1HD1 ILE 30 -0.924 0.823 -1.288 244 HD13 ILE 30 2HD1 ILE 30 0.421 1.700 -0.556 245 H ALA 31 H ALA 31 -0.075 6.493 -2.222 246 HA ALA 31 HA ALA 31 -2.604 7.639 -1.711 247 HB1 ALA 31 3HB ALA 31 -0.589 8.159 -0.404 248 HB2 ALA 31 1HB ALA 31 -1.387 9.618 -0.996 249 HB3 ALA 31 2HB ALA 31 0.077 9.029 -1.786 250 H ASP 32 H ASP 32 -0.141 8.464 -4.173 251 HA ASP 32 HA ASP 32 -1.664 10.457 -5.480 252 HB2 ASP 32 2HB ASP 32 0.632 8.729 -6.426 253 HB3 ASP 32 1HB ASP 32 -0.092 9.983 -7.428 254 H ALA 33 H ALA 33 -1.234 6.993 -6.211 255 HA ALA 33 HA ALA 33 -2.765 6.923 -8.566 256 HB1 ALA 33 3HB ALA 33 -2.289 4.682 -6.602 257 HB2 ALA 33 1HB ALA 33 -1.199 5.153 -7.906 258 HB3 ALA 33 2HB ALA 33 -2.795 4.505 -8.283 259 H ALA 34 H ALA 34 -3.748 6.031 -5.239 260 HA ALA 34 HA ALA 34 -6.481 5.568 -6.054 261 HB1 ALA 34 3HB ALA 34 -6.880 5.074 -3.685 262 HB2 ALA 34 1HB ALA 34 -5.251 5.628 -3.299 263 HB3 ALA 34 2HB ALA 34 -5.480 4.201 -4.310 264 H GLY 35 H GLY 35 -4.711 8.315 -4.962 265 HA2 GLY 35 2HA GLY 35 -5.390 10.496 -4.604 266 HA3 GLY 35 1HA GLY 35 -7.017 10.016 -5.060 267 H LEU 36 H LEU 36 -4.885 8.970 -2.414 268 HA LEU 36 HA LEU 36 -6.994 9.703 -0.476 269 HG LEU 36 HG LEU 36 -6.932 6.887 -1.849 270 HB2 LEU 36 2HB LEU 36 -5.031 7.406 -0.351 271 HB3 LEU 36 1HB LEU 36 -6.157 7.829 0.924 272 HD11 LEU 36 1HD1 LEU 36 -6.966 5.457 0.812 273 HD12 LEU 36 2HD1 LEU 36 -5.920 5.095 -0.563 274 HD13 LEU 36 3HD1 LEU 36 -7.661 4.838 -0.687 275 HD21 LEU 36 3HD2 LEU 36 -8.582 8.411 -0.870 276 HD22 LEU 36 1HD2 LEU 36 -8.634 7.424 0.590 277 HD23 LEU 36 2HD2 LEU 36 -9.199 6.761 -0.944 278 H SER 37 H SER 37 -5.910 9.673 1.876 279 HA SER 37 HA SER 37 -3.881 11.766 1.794 280 HG SER 37 HG SER 37 -4.136 12.992 4.383 281 HB2 SER 37 2HB SER 37 -5.739 12.098 3.311 282 HB3 SER 37 1HB SER 37 -5.429 10.555 4.099 283 H ILE 38 H ILE 38 -1.833 11.667 2.699 284 HA ILE 38 HA ILE 38 -0.383 9.306 2.419 285 HB ILE 38 HB ILE 38 0.331 11.737 4.074 286 HG12 ILE 38 2HG1 ILE 38 -0.095 12.244 1.706 287 HG13 ILE 38 1HG1 ILE 38 1.611 12.437 2.096 288 HG21 ILE 38 1HG2 ILE 38 1.694 9.846 4.754 289 HG22 ILE 38 2HG2 ILE 38 2.669 11.001 3.845 290 HG23 ILE 38 3HG2 ILE 38 2.116 9.514 3.073 291 HD11 ILE 38 3HD1 ILE 38 1.291 11.364 -0.064 292 HD12 ILE 38 1HD1 ILE 38 0.380 10.066 0.706 293 HD13 ILE 38 2HD1 ILE 38 2.092 10.278 1.072 294 H TYR 39 H TYR 39 -1.411 10.854 5.472 295 HA TYR 39 HA TYR 39 -0.373 8.911 7.215 296 HD1 TYR 39 HD1 TYR 39 0.276 10.176 9.652 297 HD2 TYR 39 HD2 TYR 39 -3.907 9.410 9.401 298 HE1 TYR 39 HE1 TYR 39 0.286 9.397 11.982 299 HE2 TYR 39 HE2 TYR 39 -3.905 8.632 11.735 300 HH TYR 39 HH TYR 39 -2.271 7.687 13.358 301 HB2 TYR 39 2HB TYR 39 -1.163 11.199 7.863 302 HB3 TYR 39 1HB TYR 39 -2.821 10.641 7.668 303 H GLN 40 H GLN 40 -3.577 9.210 5.725 304 HA GLN 40 HA GLN 40 -4.879 7.044 6.899 305 HB2 GLN 40 2HB GLN 40 -5.999 8.743 5.513 306 HB3 GLN 40 1HB GLN 40 -5.175 8.132 4.085 307 HG2 GLN 40 2HG GLN 40 -6.340 5.994 4.336 308 HG3 GLN 40 1HG GLN 40 -7.173 6.621 5.757 309 HE21 GLN 40 1HE2 GLN 40 -9.203 6.414 4.874 310 HE22 GLN 40 2HE2 GLN 40 -9.769 7.403 3.577 311 H VAL 41 H VAL 41 -3.187 7.100 3.744 312 HA VAL 41 HA VAL 41 -3.398 4.378 3.147 313 HB VAL 41 HB VAL 41 -1.168 6.276 2.364 314 HG11 VAL 41 1HG1 VAL 41 -0.789 4.759 0.468 315 HG12 VAL 41 2HG1 VAL 41 -2.005 3.655 1.112 316 HG13 VAL 41 3HG1 VAL 41 -0.517 3.949 2.010 317 HG21 VAL 41 3HG2 VAL 41 -3.374 7.100 1.708 318 HG22 VAL 41 1HG2 VAL 41 -3.727 5.562 0.921 319 HG23 VAL 41 2HG2 VAL 41 -2.446 6.601 0.296 320 H ARG 42 H ARG 42 -0.889 6.115 4.966 321 HA ARG 42 HA ARG 42 0.947 4.063 5.376 322 HE ARG 42 HE ARG 42 4.563 3.364 7.598 323 HB2 ARG 42 2HB ARG 42 1.301 6.428 6.034 324 HB3 ARG 42 1HB ARG 42 0.150 6.224 7.347 325 HG2 ARG 42 2HG ARG 42 2.268 6.042 8.350 326 HG3 ARG 42 1HG ARG 42 1.680 4.384 8.216 327 HD2 ARG 42 2HD ARG 42 3.014 4.131 6.132 328 HD3 ARG 42 1HD ARG 42 3.667 5.749 6.387 329 HH11 ARG 42 1HH1 ARG 42 4.038 6.705 8.344 330 HH12 ARG 42 2HH1 ARG 42 5.193 6.688 9.630 331 HH21 ARG 42 1HH2 ARG 42 6.048 3.399 9.228 332 HH22 ARG 42 2HH2 ARG 42 6.324 4.860 10.112 333 H LEU 43 H LEU 43 -1.946 4.866 7.299 334 HA LEU 43 HA LEU 43 -1.575 2.953 9.331 335 HG LEU 43 HG LEU 43 -2.709 5.910 9.172 336 HB2 LEU 43 2HB LEU 43 -4.145 4.148 8.281 337 HB3 LEU 43 1HB LEU 43 -4.001 3.241 9.776 338 HD11 LEU 43 1HD1 LEU 43 -5.101 6.065 9.598 339 HD12 LEU 43 2HD1 LEU 43 -4.179 6.750 10.935 340 HD13 LEU 43 3HD1 LEU 43 -4.909 5.151 11.094 341 HD21 LEU 43 3HD2 LEU 43 -1.971 5.857 11.526 342 HD22 LEU 43 1HD2 LEU 43 -1.219 4.594 10.551 343 HD23 LEU 43 2HD2 LEU 43 -2.537 4.190 11.649 344 H TYR 44 H TYR 44 -3.432 2.728 6.288 345 HA TYR 44 HA TYR 44 -4.357 0.080 6.783 346 HD1 TYR 44 HD2 TYR 44 -6.704 -0.172 6.257 347 HD2 TYR 44 HD1 TYR 44 -5.593 3.508 4.420 348 HE1 TYR 44 HE2 TYR 44 -8.841 0.817 6.957 349 HE2 TYR 44 HE1 TYR 44 -7.728 4.503 5.123 350 HH TYR 44 HH TYR 44 -9.975 3.796 5.751 351 HB2 TYR 44 2HB TYR 44 -4.157 1.678 4.225 352 HB3 TYR 44 1HB TYR 44 -4.886 0.075 4.314 353 H LEU 45 H LEU 45 -1.528 1.328 5.036 354 HA LEU 45 HA LEU 45 -0.588 -1.196 4.153 355 HG LEU 45 HG LEU 45 -0.686 1.499 2.794 356 HB2 LEU 45 2HB LEU 45 0.868 1.387 4.722 357 HB3 LEU 45 1HB LEU 45 1.636 -0.018 4.003 358 HD11 LEU 45 1HD1 LEU 45 1.376 2.814 2.779 359 HD12 LEU 45 2HD1 LEU 45 0.925 2.304 1.153 360 HD13 LEU 45 3HD1 LEU 45 2.228 1.476 2.009 361 HD21 LEU 45 3HD2 LEU 45 -0.677 -0.878 2.208 362 HD22 LEU 45 1HD2 LEU 45 0.999 -0.741 1.670 363 HD23 LEU 45 2HD2 LEU 45 -0.276 0.129 0.817 364 H GLU 46 H GLU 46 -0.083 0.629 7.127 365 HA GLU 46 HA GLU 46 1.819 -0.969 8.386 366 HB2 GLU 46 2HB GLU 46 1.155 1.168 9.316 367 HB3 GLU 46 1HB GLU 46 -0.492 0.597 9.560 368 HG2 GLU 46 2HG GLU 46 0.397 -1.076 11.180 369 HG3 GLU 46 1HG GLU 46 1.985 -0.334 11.006 370 H GLN 47 H GLN 47 -1.746 -1.172 8.694 371 HA GLN 47 HA GLN 47 -1.755 -3.448 10.338 372 HB2 GLN 47 2HB GLN 47 -4.120 -3.648 9.851 373 HB3 GLN 47 1HB GLN 47 -3.702 -1.957 10.078 374 HG2 GLN 47 2HG GLN 47 -3.683 -1.653 7.639 375 HG3 GLN 47 1HG GLN 47 -4.147 -3.340 7.437 376 HE21 GLN 47 1HE2 GLN 47 -5.393 -1.264 9.974 377 HE22 GLN 47 2HE2 GLN 47 -7.005 -1.191 9.367 378 H LEU 48 H LEU 48 -1.842 -3.193 6.790 379 HA LEU 48 HA LEU 48 -2.224 -5.922 6.221 380 HG LEU 48 HG LEU 48 -3.190 -3.415 4.805 381 HB2 LEU 48 2HB LEU 48 -0.748 -3.777 4.696 382 HB3 LEU 48 1HB LEU 48 -1.020 -5.388 4.060 383 HD11 LEU 48 1HD1 LEU 48 -1.971 -2.728 2.812 384 HD12 LEU 48 2HD1 LEU 48 -3.595 -3.276 2.397 385 HD13 LEU 48 3HD1 LEU 48 -2.207 -4.325 2.100 386 HD21 LEU 48 3HD2 LEU 48 -4.715 -5.025 3.757 387 HD22 LEU 48 1HD2 LEU 48 -3.897 -5.723 5.155 388 HD23 LEU 48 2HD2 LEU 48 -3.374 -6.149 3.524 389 H HIS 49 H HIS 49 0.795 -4.088 6.696 390 HA HIS 49 HA HIS 49 2.527 -6.329 6.452 391 HD1 HIS 49 HD1 HIS 49 5.102 -6.484 6.550 392 HD2 HIS 49 HD2 HIS 49 5.020 -3.473 9.409 393 HE1 HIS 49 HE1 HIS 49 7.253 -6.709 7.820 394 HE2 HIS 49 HE2 HIS 49 7.251 -4.774 9.428 395 HB2 HIS 49 2HB HIS 49 3.422 -4.107 6.198 396 HB3 HIS 49 1HB HIS 49 2.871 -3.642 7.801 397 H ASP 50 H ASP 50 0.658 -5.018 9.096 398 HA ASP 50 HA ASP 50 2.067 -6.437 11.160 399 HB2 ASP 50 2HB ASP 50 0.969 -4.279 11.587 400 HB3 ASP 50 1HB ASP 50 -0.599 -5.006 11.248 401 H VAL 51 H VAL 51 -0.864 -7.039 9.270 402 HA VAL 51 HA VAL 51 -1.544 -9.382 10.831 403 HB VAL 51 HB VAL 51 -3.329 -9.781 9.203 404 HG11 VAL 51 1HG1 VAL 51 -3.740 -8.240 11.052 405 HG12 VAL 51 2HG1 VAL 51 -4.640 -7.755 9.615 406 HG13 VAL 51 3HG1 VAL 51 -3.171 -6.890 10.069 407 HG21 VAL 51 3HG2 VAL 51 -3.725 -8.257 7.337 408 HG22 VAL 51 1HG2 VAL 51 -2.159 -9.051 7.173 409 HG23 VAL 51 2HG2 VAL 51 -2.247 -7.378 7.725 410 H GLY 52 H GLY 52 0.326 -8.691 7.966 411 HA2 GLY 52 2HA GLY 52 2.117 -10.354 7.581 412 HA3 GLY 52 1HA GLY 52 0.889 -11.595 7.735 413 H VAL 53 H VAL 53 -0.304 -8.949 5.978 414 HA VAL 53 HA VAL 53 -0.296 -10.455 3.517 415 HB VAL 53 HB VAL 53 -1.273 -7.639 4.074 416 HG11 VAL 53 1HG1 VAL 53 -1.752 -9.411 1.671 417 HG12 VAL 53 2HG1 VAL 53 -0.793 -7.932 1.694 418 HG13 VAL 53 3HG1 VAL 53 -2.533 -7.858 1.969 419 HG21 VAL 53 3HG2 VAL 53 -3.503 -8.643 4.118 420 HG22 VAL 53 1HG2 VAL 53 -2.464 -9.355 5.354 421 HG23 VAL 53 2HG2 VAL 53 -2.798 -10.242 3.867 422 H LEU 54 H LEU 54 1.305 -7.507 4.681 423 HA LEU 54 HA LEU 54 2.908 -7.452 2.202 424 HG LEU 54 HG LEU 54 0.404 -5.556 2.686 425 HB2 LEU 54 2HB LEU 54 2.315 -5.215 4.147 426 HB3 LEU 54 1HB LEU 54 3.388 -5.080 2.766 427 HD11 LEU 54 1HD1 LEU 54 1.017 -3.265 3.230 428 HD12 LEU 54 2HD1 LEU 54 0.335 -3.359 1.606 429 HD13 LEU 54 3HD1 LEU 54 2.078 -3.197 1.825 430 HD21 LEU 54 3HD2 LEU 54 1.458 -6.798 0.886 431 HD22 LEU 54 1HD2 LEU 54 2.390 -5.377 0.416 432 HD23 LEU 54 2HD2 LEU 54 0.636 -5.382 0.235 433 H GLU 55 H GLU 55 5.040 -7.711 2.290 434 HA GLU 55 HA GLU 55 6.364 -8.150 4.851 435 HB2 GLU 55 2HB GLU 55 6.719 -9.797 3.084 436 HB3 GLU 55 1HB GLU 55 7.302 -8.547 1.996 437 HG2 GLU 55 2HG GLU 55 9.183 -9.755 2.813 438 HG3 GLU 55 1HG GLU 55 9.205 -8.156 3.552 439 H LYS 56 H LYS 56 8.395 -7.129 5.373 440 HA LYS 56 HA LYS 56 8.407 -4.301 4.772 441 HB2 LYS 56 2HB LYS 56 10.242 -4.190 6.407 442 HB3 LYS 56 1HB LYS 56 8.867 -5.083 7.048 443 HG2 LYS 56 2HG LYS 56 9.966 -7.170 6.748 444 HG3 LYS 56 1HG LYS 56 11.250 -6.431 5.792 445 HD2 LYS 56 2HD LYS 56 11.965 -5.164 7.801 446 HD3 LYS 56 1HD LYS 56 10.731 -6.009 8.741 447 HE2 LYS 56 2HE LYS 56 11.791 -8.135 8.301 448 HE3 LYS 56 1HE LYS 56 12.952 -7.374 7.215 449 HZ1 LYS 56 3HZ LYS 56 13.870 -7.847 9.410 450 HZ2 LYS 56 1HZ LYS 56 12.731 -6.819 10.123 451 HZ3 LYS 56 2HZ LYS 56 13.893 -6.191 9.064 452 H VAL 57 H VAL 57 9.728 -3.229 3.380 453 HA VAL 57 HA VAL 57 12.282 -4.491 2.596 454 HB VAL 57 HB VAL 57 10.562 -2.825 0.731 455 HG11 VAL 57 1HG1 VAL 57 12.947 -2.572 0.299 456 HG12 VAL 57 2HG1 VAL 57 12.184 -3.503 -0.991 457 HG13 VAL 57 3HG1 VAL 57 13.141 -4.327 0.241 458 HG21 VAL 57 3HG2 VAL 57 10.187 -4.891 -0.529 459 HG22 VAL 57 1HG2 VAL 57 9.552 -5.023 1.111 460 HG23 VAL 57 2HG2 VAL 57 11.078 -5.806 0.690 461 H ASN 58 H ASN 58 13.495 -3.286 4.056 462 HA ASN 58 HA ASN 58 13.988 -0.523 3.358 463 HB2 ASN 58 2HB ASN 58 13.483 0.396 5.584 464 HB3 ASN 58 1HB ASN 58 12.042 -0.269 4.826 465 HD21 ASN 58 1HD2 ASN 58 12.611 0.210 7.640 466 HD22 ASN 58 2HD2 ASN 58 12.442 -1.314 8.428 467 H ALA 59 H ALA 59 15.934 0.302 4.197 468 HA ALA 59 HA ALA 59 17.823 -1.698 5.118 469 HB1 ALA 59 3HB ALA 59 19.509 0.035 4.792 470 HB2 ALA 59 1HB ALA 59 18.241 1.227 4.497 471 HB3 ALA 59 2HB ALA 59 18.472 -0.113 3.373 472 H GLY 60 H GLY 60 15.592 -0.181 6.814 473 HA2 GLY 60 2HA GLY 60 15.379 -0.078 9.122 474 HA3 GLY 60 1HA GLY 60 17.104 -0.367 9.271 475 H LYS 61 H LYS 61 18.397 1.639 8.269 476 HA LYS 61 HA LYS 61 17.878 3.774 10.088 477 HB2 LYS 61 2HB LYS 61 19.862 3.644 7.806 478 HB3 LYS 61 1HB LYS 61 19.869 4.829 9.105 479 HG2 LYS 61 2HG LYS 61 20.272 3.026 10.730 480 HG3 LYS 61 1HG LYS 61 20.301 1.856 9.408 481 HD2 LYS 61 2HD LYS 61 22.214 3.069 8.408 482 HD3 LYS 61 1HD LYS 61 22.194 4.188 9.772 483 HE2 LYS 61 2HE LYS 61 23.918 2.511 10.088 484 HE3 LYS 61 1HE LYS 61 22.654 2.316 11.301 485 HZ1 LYS 61 3HZ LYS 61 23.372 0.200 10.360 486 HZ2 LYS 61 1HZ LYS 61 22.898 0.703 8.817 487 HZ3 LYS 61 2HZ LYS 61 21.742 0.493 10.032 488 H GLY 62 H GLY 62 16.625 5.525 9.810 489 HA2 GLY 62 2HA GLY 62 15.773 7.428 8.832 490 HA3 GLY 62 1HA GLY 62 16.715 7.071 7.402 491 H VAL 63 H VAL 63 15.762 5.079 6.143 492 HA VAL 63 HA VAL 63 13.424 5.930 4.954 493 HB VAL 63 HB VAL 63 13.306 3.697 3.867 494 HG11 VAL 63 1HG1 VAL 63 16.073 4.909 4.012 495 HG12 VAL 63 2HG1 VAL 63 14.763 5.428 2.954 496 HG13 VAL 63 3HG1 VAL 63 15.486 3.835 2.739 497 HG21 VAL 63 3HG2 VAL 63 15.604 3.015 5.718 498 HG22 VAL 63 1HG2 VAL 63 15.045 2.023 4.369 499 HG23 VAL 63 2HG2 VAL 63 13.992 2.301 5.755 500 HA PRO 64 HA PRO 64 10.186 4.687 7.786 501 HB2 PRO 64 2HB PRO 64 8.078 4.956 6.047 502 HB3 PRO 64 1HB PRO 64 8.855 6.315 6.868 503 HG2 PRO 64 2HG PRO 64 9.271 5.299 4.077 504 HG3 PRO 64 1HG PRO 64 9.137 6.974 4.651 505 HD2 PRO 64 2HD PRO 64 11.520 5.844 4.082 506 HD3 PRO 64 1HD PRO 64 11.331 7.028 5.391 507 H GLY 65 H GLY 65 10.213 3.321 4.483 508 HA2 GLY 65 2HA GLY 65 10.561 0.753 4.749 509 HA3 GLY 65 1HA GLY 65 8.985 0.850 5.512 510 H LEU 66 H LEU 66 10.288 -0.203 2.833 511 HA LEU 66 HA LEU 66 8.149 0.738 1.047 512 HG LEU 66 HG LEU 66 11.151 1.451 0.872 513 HB2 LEU 66 2HB LEU 66 10.593 -0.945 0.455 514 HB3 LEU 66 1HB LEU 66 9.411 -0.432 -0.735 515 HD11 LEU 66 1HD1 LEU 66 12.495 0.115 -0.680 516 HD12 LEU 66 2HD1 LEU 66 12.408 1.799 -1.188 517 HD13 LEU 66 3HD1 LEU 66 11.430 0.581 -2.008 518 HD21 LEU 66 3HD2 LEU 66 9.357 1.975 -1.501 519 HD22 LEU 66 1HD2 LEU 66 10.366 3.160 -0.670 520 HD23 LEU 66 2HD2 LEU 66 9.004 2.419 0.171 521 H TRP 67 H TRP 67 6.837 -0.863 -0.082 522 HA TRP 67 HA TRP 67 6.265 -3.085 1.769 523 HD1 TRP 67 HD1 TRP 67 4.474 0.789 0.397 524 HE1 TRP 67 HE1 TRP 67 4.310 2.201 2.541 525 HE3 TRP 67 HE3 TRP 67 4.519 -2.973 3.864 526 HZ2 TRP 67 HZ2 TRP 67 4.206 1.786 5.325 527 HZ3 TRP 67 HZ3 TRP 67 4.388 -2.374 6.248 528 HH2 TRP 67 HH2 TRP 67 4.234 -0.045 6.963 529 HB2 TRP 67 2HB TRP 67 4.332 -1.757 -0.142 530 HB3 TRP 67 1HB TRP 67 3.948 -2.839 1.197 531 H ARG 68 H ARG 68 6.423 -5.106 1.125 532 HA ARG 68 HA ARG 68 6.218 -5.771 -1.761 533 HE ARG 68 HE ARG 68 8.816 -9.777 -0.149 534 HB2 ARG 68 2HB ARG 68 8.497 -6.068 -0.617 535 HB3 ARG 68 1HB ARG 68 7.750 -7.348 0.325 536 HG2 ARG 68 2HG ARG 68 7.323 -8.633 -1.684 537 HG3 ARG 68 1HG ARG 68 7.945 -7.320 -2.687 538 HD2 ARG 68 2HD ARG 68 9.670 -8.970 -2.484 539 HD3 ARG 68 1HD ARG 68 10.149 -7.571 -1.529 540 HH11 ARG 68 1HH1 ARG 68 11.756 -8.099 -0.836 541 HH12 ARG 68 2HH1 ARG 68 12.601 -8.831 0.482 542 HH21 ARG 68 1HH2 ARG 68 9.936 -10.714 1.542 543 HH22 ARG 68 2HH2 ARG 68 11.590 -10.288 1.802 544 H LEU 69 H LEU 69 5.352 -8.105 -2.096 545 HA LEU 69 HA LEU 69 3.491 -8.788 0.099 546 HG LEU 69 HG LEU 69 3.785 -8.556 -3.597 547 HB2 LEU 69 2HB LEU 69 1.793 -9.438 -1.535 548 HB3 LEU 69 1HB LEU 69 2.214 -7.744 -1.658 549 HD11 LEU 69 1HD1 LEU 69 2.847 -10.455 -4.851 550 HD12 LEU 69 2HD1 LEU 69 1.766 -10.797 -3.499 551 HD13 LEU 69 3HD1 LEU 69 3.513 -10.938 -3.292 552 HD21 LEU 69 3HD2 LEU 69 1.985 -8.180 -5.199 553 HD22 LEU 69 1HD2 LEU 69 1.884 -7.040 -3.857 554 HD23 LEU 69 2HD2 LEU 69 0.787 -8.421 -3.928 555 H LEU 70 H LEU 70 2.907 -10.967 0.364 556 HA LEU 70 HA LEU 70 4.732 -12.902 -0.921 557 HG LEU 70 HG LEU 70 2.659 -12.924 2.216 558 HB2 LEU 70 2HB LEU 70 4.727 -14.177 1.215 559 HB3 LEU 70 1HB LEU 70 5.520 -12.620 1.314 560 HD11 LEU 70 1HD1 LEU 70 3.433 -13.378 4.478 561 HD12 LEU 70 2HD1 LEU 70 5.104 -13.436 3.918 562 HD13 LEU 70 3HD1 LEU 70 3.952 -14.661 3.385 563 HD21 LEU 70 3HD2 LEU 70 3.555 -10.657 1.981 564 HD22 LEU 70 1HD2 LEU 70 4.894 -11.069 3.051 565 HD23 LEU 70 2HD2 LEU 70 3.243 -11.046 3.671 566 H GLU 71 H GLU 71 1.898 -12.096 -1.474 567 HA GLU 71 HA GLU 71 0.766 -14.809 -1.507 568 HB2 GLU 71 2HB GLU 71 -0.254 -13.508 0.377 569 HB3 GLU 71 1HB GLU 71 -0.843 -12.339 -0.797 570 HG2 GLU 71 2HG GLU 71 -2.664 -13.751 -0.303 571 HG3 GLU 71 1HG GLU 71 -2.092 -14.234 -1.898 Start of MODEL 18 1 HA MET 1 HA MET 1 -17.805 3.605 -8.232 2 H1 MET 1 1H MET 1 -17.640 6.398 -9.207 3 H2 MET 1 2H MET 1 -18.841 5.750 -8.211 4 H3 MET 1 3H MET 1 -18.691 5.219 -9.807 5 HB2 MET 1 2HB MET 1 -15.695 4.923 -9.961 6 HB3 MET 1 1HB MET 1 -15.623 3.281 -9.333 7 HG2 MET 1 2HG MET 1 -17.597 4.374 -11.326 8 HG3 MET 1 1HG MET 1 -16.291 3.232 -11.641 9 HE1 MET 1 3HE MET 1 -19.343 2.773 -12.519 10 HE2 MET 1 1HE MET 1 -19.540 1.067 -12.112 11 HE3 MET 1 2HE MET 1 -18.047 1.629 -12.866 12 H SER 2 H SER 2 -17.581 3.930 -6.052 13 HA SER 2 HA SER 2 -15.018 4.930 -5.113 14 HG SER 2 HG SER 2 -16.567 6.815 -2.502 15 HB2 SER 2 2HB SER 2 -16.302 7.002 -5.126 16 HB3 SER 2 1HB SER 2 -17.607 6.237 -4.219 17 H GLU 3 H GLU 3 -14.608 2.880 -4.334 18 HA GLU 3 HA GLU 3 -15.484 2.195 -1.757 19 HB2 GLU 3 2HB GLU 3 -16.791 0.161 -2.229 20 HB3 GLU 3 1HB GLU 3 -17.591 1.600 -2.843 21 HG2 GLU 3 2HG GLU 3 -16.738 1.066 -5.105 22 HG3 GLU 3 1HG GLU 3 -16.038 -0.419 -4.462 23 H SER 4 H SER 4 -15.068 -0.470 -1.583 24 HA SER 4 HA SER 4 -13.413 -2.009 -1.336 25 HG SER 4 HG SER 4 -13.043 -0.377 -4.511 26 HB2 SER 4 2HB SER 4 -12.439 -2.894 -3.346 27 HB3 SER 4 1HB SER 4 -14.073 -2.373 -3.741 28 H ILE 5 H ILE 5 -12.652 0.519 -0.383 29 HA ILE 5 HA ILE 5 -10.292 1.615 -1.364 30 HB ILE 5 HB ILE 5 -11.326 1.545 1.476 31 HG12 ILE 5 2HG1 ILE 5 -11.767 4.004 0.950 32 HG13 ILE 5 1HG1 ILE 5 -11.397 3.627 -0.728 33 HG21 ILE 5 1HG2 ILE 5 -8.919 1.839 1.589 34 HG22 ILE 5 2HG2 ILE 5 -9.729 3.354 1.983 35 HG23 ILE 5 3HG2 ILE 5 -8.994 3.133 0.394 36 HD11 ILE 5 3HD1 ILE 5 -13.629 2.431 0.902 37 HD12 ILE 5 1HD1 ILE 5 -13.269 2.066 -0.785 38 HD13 ILE 5 2HD1 ILE 5 -13.788 3.685 -0.327 39 H VAL 6 H VAL 6 -10.612 -0.917 1.141 40 HA VAL 6 HA VAL 6 -7.858 -1.226 1.660 41 HB VAL 6 HB VAL 6 -9.990 -3.371 1.860 42 HG11 VAL 6 1HG1 VAL 6 -7.335 -3.086 3.283 43 HG12 VAL 6 2HG1 VAL 6 -7.720 -4.254 2.020 44 HG13 VAL 6 3HG1 VAL 6 -8.532 -4.348 3.581 45 HG21 VAL 6 3HG2 VAL 6 -10.220 -2.653 4.216 46 HG22 VAL 6 1HG2 VAL 6 -10.700 -1.392 3.078 47 HG23 VAL 6 2HG2 VAL 6 -9.136 -1.298 3.890 48 H THR 7 H THR 7 -9.988 -3.223 -0.407 49 HA THR 7 HA THR 7 -8.014 -4.880 -1.502 50 HB THR 7 HB THR 7 -10.589 -4.002 -2.845 51 HG1 THR 7 HG1 THR 7 -10.753 -6.418 -1.688 52 HG21 THR 7 3HG2 THR 7 -8.946 -6.521 -3.191 53 HG22 THR 7 1HG2 THR 7 -9.045 -5.195 -4.351 54 HG23 THR 7 2HG2 THR 7 -10.475 -6.163 -3.992 55 H LYS 8 H LYS 8 -9.068 -1.664 -2.415 56 HA LYS 8 HA LYS 8 -7.902 -1.392 -4.934 57 HB2 LYS 8 2HB LYS 8 -9.415 0.279 -3.978 58 HB3 LYS 8 1HB LYS 8 -8.252 0.651 -2.721 59 HG2 LYS 8 2HG LYS 8 -8.196 2.390 -4.359 60 HG3 LYS 8 1HG LYS 8 -6.690 1.474 -4.462 61 HD2 LYS 8 2HD LYS 8 -7.504 0.286 -6.413 62 HD3 LYS 8 1HD LYS 8 -9.077 1.078 -6.277 63 HE2 LYS 8 2HE LYS 8 -7.979 3.260 -6.640 64 HE3 LYS 8 1HE LYS 8 -6.435 2.431 -6.841 65 HZ1 LYS 8 3HZ LYS 8 -7.348 1.273 -8.753 66 HZ2 LYS 8 1HZ LYS 8 -7.440 2.948 -8.970 67 HZ3 LYS 8 2HZ LYS 8 -8.828 2.071 -8.564 68 H ILE 9 H ILE 9 -6.534 -0.443 -1.773 69 HA ILE 9 HA ILE 9 -3.975 0.242 -2.671 70 HB ILE 9 HB ILE 9 -4.817 -0.813 0.038 71 HG12 ILE 9 2HG1 ILE 9 -4.455 2.019 -1.000 72 HG13 ILE 9 1HG1 ILE 9 -5.996 1.237 -0.663 73 HG21 ILE 9 1HG2 ILE 9 -2.771 0.241 0.901 74 HG22 ILE 9 2HG2 ILE 9 -2.284 0.637 -0.747 75 HG23 ILE 9 3HG2 ILE 9 -2.408 -1.049 -0.245 76 HD11 ILE 9 3HD1 ILE 9 -5.405 2.762 1.109 77 HD12 ILE 9 1HD1 ILE 9 -3.871 1.925 1.356 78 HD13 ILE 9 2HD1 ILE 9 -5.395 1.104 1.709 79 H ILE 10 H ILE 10 -5.169 -2.894 -1.453 80 HA ILE 10 HA ILE 10 -2.758 -4.328 -1.654 81 HB ILE 10 HB ILE 10 -5.574 -5.378 -2.048 82 HG12 ILE 10 2HG1 ILE 10 -3.861 -5.233 0.455 83 HG13 ILE 10 1HG1 ILE 10 -5.260 -4.221 0.115 84 HG21 ILE 10 1HG2 ILE 10 -3.025 -6.854 -1.354 85 HG22 ILE 10 2HG2 ILE 10 -3.899 -6.948 -2.884 86 HG23 ILE 10 3HG2 ILE 10 -4.641 -7.563 -1.407 87 HD11 ILE 10 3HD1 ILE 10 -5.271 -7.204 0.537 88 HD12 ILE 10 1HD1 ILE 10 -6.684 -6.228 0.133 89 HD13 ILE 10 2HD1 ILE 10 -5.844 -5.973 1.662 90 H SER 11 H SER 11 -5.318 -3.774 -4.054 91 HA SER 11 HA SER 11 -4.209 -5.344 -6.135 92 HG SER 11 HG SER 11 -6.590 -4.668 -8.203 93 HB2 SER 11 2HB SER 11 -6.567 -4.585 -6.109 94 HB3 SER 11 1HB SER 11 -6.030 -2.927 -6.358 95 H ILE 12 H ILE 12 -3.707 -1.999 -5.156 96 HA ILE 12 HA ILE 12 -2.170 -1.141 -7.363 97 HB ILE 12 HB ILE 12 -2.071 -0.249 -4.470 98 HG12 ILE 12 2HG1 ILE 12 -3.408 1.057 -6.860 99 HG13 ILE 12 1HG1 ILE 12 -4.247 0.022 -5.713 100 HG21 ILE 12 1HG2 ILE 12 -0.983 1.804 -5.314 101 HG22 ILE 12 2HG2 ILE 12 -0.881 1.072 -6.917 102 HG23 ILE 12 3HG2 ILE 12 0.010 0.366 -5.567 103 HD11 ILE 12 3HD1 ILE 12 -4.623 2.372 -5.242 104 HD12 ILE 12 1HD1 ILE 12 -2.887 2.627 -5.057 105 HD13 ILE 12 2HD1 ILE 12 -3.754 1.593 -3.920 106 H VAL 13 H VAL 13 -1.156 -2.536 -4.230 107 HA VAL 13 HA VAL 13 1.604 -2.574 -4.689 108 HB VAL 13 HB VAL 13 -0.013 -4.573 -3.083 109 HG11 VAL 13 1HG1 VAL 13 2.928 -3.878 -2.964 110 HG12 VAL 13 2HG1 VAL 13 2.231 -5.402 -3.519 111 HG13 VAL 13 3HG1 VAL 13 2.081 -4.927 -1.826 112 HG21 VAL 13 3HG2 VAL 13 -0.447 -2.294 -2.351 113 HG22 VAL 13 1HG2 VAL 13 1.287 -1.973 -2.245 114 HG23 VAL 13 2HG2 VAL 13 0.535 -3.139 -1.151 115 H GLN 14 H GLN 14 -0.819 -5.116 -5.362 116 HA GLN 14 HA GLN 14 0.909 -7.017 -6.498 117 HB2 GLN 14 2HB GLN 14 -1.465 -7.428 -5.849 118 HB3 GLN 14 1HB GLN 14 -1.982 -6.480 -7.234 119 HG2 GLN 14 2HG GLN 14 -2.167 -8.815 -7.758 120 HG3 GLN 14 1HG GLN 14 -0.879 -8.111 -8.732 121 HE21 GLN 14 1HE2 GLN 14 -1.647 -10.264 -6.115 122 HE22 GLN 14 2HE2 GLN 14 -0.090 -11.008 -6.008 123 H GLU 15 H GLU 15 -0.938 -4.398 -8.036 124 HA GLU 15 HA GLU 15 -0.287 -4.784 -10.699 125 HB2 GLU 15 2HB GLU 15 -1.923 -3.137 -9.867 126 HB3 GLU 15 1HB GLU 15 -0.616 -2.169 -9.204 127 HG2 GLU 15 2HG GLU 15 -1.406 -1.190 -11.254 128 HG3 GLU 15 1HG GLU 15 0.239 -1.784 -11.474 129 H ARG 16 H ARG 16 1.531 -2.950 -8.251 130 HA ARG 16 HA ARG 16 3.599 -2.092 -10.004 131 HE ARG 16 HE ARG 16 3.569 2.042 -7.717 132 HB2 ARG 16 2HB ARG 16 3.694 -2.358 -6.988 133 HB3 ARG 16 1HB ARG 16 4.759 -1.372 -7.985 134 HG2 ARG 16 2HG ARG 16 1.775 -0.970 -7.777 135 HG3 ARG 16 1HG ARG 16 2.966 -0.091 -6.821 136 HD2 ARG 16 2HD ARG 16 3.367 -0.075 -9.761 137 HD3 ARG 16 1HD ARG 16 1.969 0.816 -9.158 138 HH11 ARG 16 1HH1 ARG 16 4.734 0.521 -10.589 139 HH12 ARG 16 2HH1 ARG 16 6.067 1.612 -10.738 140 HH21 ARG 16 1HH2 ARG 16 5.244 3.443 -7.956 141 HH22 ARG 16 2HH2 ARG 16 6.348 3.250 -9.278 142 H GLN 17 H GLN 17 3.278 -4.886 -7.845 143 HA GLN 17 HA GLN 17 5.875 -5.948 -8.130 144 HB2 GLN 17 2HB GLN 17 3.203 -7.199 -7.510 145 HB3 GLN 17 1HB GLN 17 4.659 -8.174 -7.622 146 HG2 GLN 17 2HG GLN 17 4.481 -5.810 -5.778 147 HG3 GLN 17 1HG GLN 17 3.902 -7.407 -5.309 148 HE21 GLN 17 1HE2 GLN 17 5.413 -7.748 -3.721 149 HE22 GLN 17 2HE2 GLN 17 7.091 -7.961 -4.038 150 H ASN 18 H ASN 18 3.065 -6.140 -10.224 151 HA ASN 18 HA ASN 18 4.254 -8.257 -11.846 152 HB2 ASN 18 2HB ASN 18 1.549 -6.915 -11.895 153 HB3 ASN 18 1HB ASN 18 2.049 -8.114 -13.087 154 HD21 ASN 18 1HD2 ASN 18 -0.069 -8.180 -10.996 155 HD22 ASN 18 2HD2 ASN 18 0.265 -9.599 -10.071 156 H MET 19 H MET 19 3.665 -4.797 -12.074 157 HA MET 19 HA MET 19 4.056 -4.601 -14.892 158 HB2 MET 19 2HB MET 19 4.248 -2.204 -14.539 159 HB3 MET 19 1HB MET 19 2.918 -2.844 -13.588 160 HG2 MET 19 2HG MET 19 4.358 -2.818 -11.595 161 HG3 MET 19 1HG MET 19 5.659 -2.128 -12.560 162 HE1 MET 19 3HE MET 19 5.592 0.296 -13.634 163 HE2 MET 19 1HE MET 19 4.207 1.381 -13.514 164 HE3 MET 19 2HE MET 19 4.087 -0.102 -14.462 165 H ASP 20 H ASP 20 6.240 -4.822 -12.205 166 HA ASP 20 HA ASP 20 8.539 -4.410 -14.015 167 HB2 ASP 20 2HB ASP 20 8.042 -2.537 -12.297 168 HB3 ASP 20 1HB ASP 20 8.589 -3.684 -11.079 169 H ASP 21 H ASP 21 10.624 -5.327 -12.727 170 HA ASP 21 HA ASP 21 9.900 -8.062 -11.903 171 HB2 ASP 21 2HB ASP 21 12.503 -6.954 -12.975 172 HB3 ASP 21 1HB ASP 21 12.255 -8.627 -12.478 173 H GLY 22 H GLY 22 11.057 -5.134 -10.628 174 HA2 GLY 22 2HA GLY 22 11.314 -6.278 -8.006 175 HA3 GLY 22 1HA GLY 22 12.872 -5.820 -8.675 176 H ALA 23 H ALA 23 9.718 -4.194 -8.965 177 HA ALA 23 HA ALA 23 10.963 -1.734 -7.957 178 HB1 ALA 23 3HB ALA 23 9.801 -1.611 -10.113 179 HB2 ALA 23 1HB ALA 23 9.052 -0.567 -8.904 180 HB3 ALA 23 2HB ALA 23 8.299 -2.105 -9.329 181 HA PRO 24 HA PRO 24 8.713 -2.639 -4.093 182 HB2 PRO 24 2HB PRO 24 9.986 -0.717 -2.627 183 HB3 PRO 24 1HB PRO 24 10.676 -2.316 -2.925 184 HG2 PRO 24 2HG PRO 24 11.235 0.280 -4.318 185 HG3 PRO 24 1HG PRO 24 12.375 -0.971 -3.789 186 HD2 PRO 24 2HD PRO 24 11.564 -0.748 -6.364 187 HD3 PRO 24 1HD PRO 24 11.946 -2.316 -5.624 188 H VAL 25 H VAL 25 6.883 -1.667 -3.295 189 HA VAL 25 HA VAL 25 5.867 0.564 -4.823 190 HB VAL 25 HB VAL 25 4.480 -0.785 -2.501 191 HG11 VAL 25 1HG1 VAL 25 2.443 -0.153 -3.706 192 HG12 VAL 25 2HG1 VAL 25 3.417 0.597 -4.971 193 HG13 VAL 25 3HG1 VAL 25 3.436 1.258 -3.337 194 HG21 VAL 25 3HG2 VAL 25 5.235 -2.550 -3.989 195 HG22 VAL 25 1HG2 VAL 25 4.570 -1.696 -5.382 196 HG23 VAL 25 2HG2 VAL 25 3.491 -2.340 -4.144 197 H LYS 26 H LYS 26 6.019 2.644 -4.243 198 HA LYS 26 HA LYS 26 7.168 3.377 -1.690 199 HB2 LYS 26 2HB LYS 26 6.235 5.144 -3.970 200 HB3 LYS 26 1HB LYS 26 7.166 5.680 -2.583 201 HG2 LYS 26 2HG LYS 26 8.700 5.502 -4.357 202 HG3 LYS 26 1HG LYS 26 8.985 4.081 -3.350 203 HD2 LYS 26 2HD LYS 26 7.675 2.711 -4.900 204 HD3 LYS 26 1HD LYS 26 7.336 4.132 -5.887 205 HE2 LYS 26 2HE LYS 26 10.097 3.030 -5.346 206 HE3 LYS 26 1HE LYS 26 9.150 2.699 -6.796 207 HZ1 LYS 26 3HZ LYS 26 10.057 5.388 -5.910 208 HZ2 LYS 26 1HZ LYS 26 9.165 5.058 -7.307 209 HZ3 LYS 26 2HZ LYS 26 10.748 4.483 -7.158 210 H THR 27 H THR 27 6.099 4.181 0.067 211 HA THR 27 HA THR 27 3.355 4.037 0.428 212 HB THR 27 HB THR 27 5.332 5.844 1.851 213 HG1 THR 27 HG1 THR 27 5.782 3.672 2.211 214 HG21 THR 27 3HG2 THR 27 3.079 6.723 2.171 215 HG22 THR 27 1HG2 THR 27 3.655 5.973 3.659 216 HG23 THR 27 2HG2 THR 27 2.498 5.121 2.634 217 H ARG 28 H ARG 28 5.256 6.907 -0.509 218 HA ARG 28 HA ARG 28 3.120 8.743 -0.672 219 HE ARG 28 HE ARG 28 6.558 10.308 1.910 220 HB2 ARG 28 2HB ARG 28 5.666 8.684 -2.323 221 HB3 ARG 28 1HB ARG 28 4.608 10.072 -2.120 222 HG2 ARG 28 2HG ARG 28 6.111 8.725 0.121 223 HG3 ARG 28 1HG ARG 28 6.657 10.167 -0.734 224 HD2 ARG 28 2HD ARG 28 4.752 11.419 0.057 225 HD3 ARG 28 1HD ARG 28 4.047 9.969 0.776 226 HH11 ARG 28 1HH1 ARG 28 3.642 12.141 1.767 227 HH12 ARG 28 2HH1 ARG 28 3.813 12.742 3.381 228 HH21 ARG 28 1HH2 ARG 28 6.792 11.136 3.955 229 HH22 ARG 28 2HH2 ARG 28 5.565 12.172 4.606 230 H ASP 29 H ASP 29 4.550 6.629 -3.132 231 HA ASP 29 HA ASP 29 2.986 7.353 -5.329 232 HB2 ASP 29 2HB ASP 29 5.028 6.017 -5.488 233 HB3 ASP 29 1HB ASP 29 4.253 4.687 -4.637 234 H ILE 30 H ILE 30 2.385 4.913 -2.812 235 HA ILE 30 HA ILE 30 -0.016 3.856 -3.835 236 HB ILE 30 HB ILE 30 0.783 4.156 -0.926 237 HG12 ILE 30 2HG1 ILE 30 1.194 1.837 -2.836 238 HG13 ILE 30 1HG1 ILE 30 2.453 2.933 -2.281 239 HG21 ILE 30 1HG2 ILE 30 -1.602 3.690 -1.189 240 HG22 ILE 30 2HG2 ILE 30 -0.762 2.295 -0.515 241 HG23 ILE 30 3HG2 ILE 30 -1.232 2.306 -2.216 242 HD11 ILE 30 3HD1 ILE 30 2.102 2.149 0.015 243 HD12 ILE 30 1HD1 ILE 30 2.545 0.840 -1.083 244 HD13 ILE 30 2HD1 ILE 30 0.869 1.029 -0.570 245 H ALA 31 H ALA 31 0.605 6.661 -1.765 246 HA ALA 31 HA ALA 31 -2.017 7.308 -1.054 247 HB1 ALA 31 3HB ALA 31 0.254 9.234 -1.540 248 HB2 ALA 31 1HB ALA 31 -0.019 8.336 -0.047 249 HB3 ALA 31 2HB ALA 31 -1.194 9.538 -0.580 250 H ASP 32 H ASP 32 -0.116 8.510 -3.832 251 HA ASP 32 HA ASP 32 -2.191 10.020 -5.005 252 HB2 ASP 32 2HB ASP 32 0.289 8.745 -6.163 253 HB3 ASP 32 1HB ASP 32 -0.790 9.758 -7.116 254 H ALA 33 H ALA 33 -1.199 6.646 -5.522 255 HA ALA 33 HA ALA 33 -2.930 6.111 -7.691 256 HB1 ALA 33 3HB ALA 33 -0.984 4.734 -7.156 257 HB2 ALA 33 1HB ALA 33 -2.452 3.761 -7.255 258 HB3 ALA 33 2HB ALA 33 -1.775 4.179 -5.679 259 H ALA 34 H ALA 34 -3.361 5.674 -4.195 260 HA ALA 34 HA ALA 34 -6.001 4.506 -4.529 261 HB1 ALA 34 3HB ALA 34 -6.018 4.321 -2.101 262 HB2 ALA 34 1HB ALA 34 -4.543 5.283 -2.001 263 HB3 ALA 34 2HB ALA 34 -4.510 3.692 -2.763 264 H GLY 35 H GLY 35 -4.672 7.664 -3.958 265 HA2 GLY 35 2HA GLY 35 -5.734 9.723 -3.961 266 HA3 GLY 35 1HA GLY 35 -7.268 8.892 -4.156 267 H LEU 36 H LEU 36 -4.889 8.532 -1.551 268 HA LEU 36 HA LEU 36 -6.849 9.659 0.351 269 HG LEU 36 HG LEU 36 -7.208 6.708 -0.583 270 HB2 LEU 36 2HB LEU 36 -5.164 7.181 0.759 271 HB3 LEU 36 1HB LEU 36 -6.168 7.927 1.987 272 HD11 LEU 36 1HD1 LEU 36 -8.035 4.897 0.824 273 HD12 LEU 36 2HD1 LEU 36 -7.272 5.624 2.236 274 HD13 LEU 36 3HD1 LEU 36 -6.279 5.012 0.913 275 HD21 LEU 36 3HD2 LEU 36 -9.413 6.928 0.497 276 HD22 LEU 36 1HD2 LEU 36 -8.645 8.493 0.230 277 HD23 LEU 36 2HD2 LEU 36 -8.657 7.782 1.844 278 H SER 37 H SER 37 -5.907 10.421 2.390 279 HA SER 37 HA SER 37 -3.492 11.884 2.064 280 HG SER 37 HG SER 37 -6.158 13.033 4.185 281 HB2 SER 37 2HB SER 37 -5.054 11.250 4.589 282 HB3 SER 37 1HB SER 37 -3.751 12.431 4.480 283 H ILE 38 H ILE 38 -1.497 11.652 3.220 284 HA ILE 38 HA ILE 38 -0.311 9.162 2.962 285 HB ILE 38 HB ILE 38 0.587 11.417 4.770 286 HG12 ILE 38 2HG1 ILE 38 0.253 12.143 2.449 287 HG13 ILE 38 1HG1 ILE 38 1.965 12.119 2.850 288 HG21 ILE 38 1HG2 ILE 38 1.760 9.363 5.319 289 HG22 ILE 38 2HG2 ILE 38 2.850 10.466 4.479 290 HG23 ILE 38 3HG2 ILE 38 2.147 9.096 3.619 291 HD11 ILE 38 3HD1 ILE 38 0.497 10.004 1.283 292 HD12 ILE 38 1HD1 ILE 38 2.219 9.999 1.669 293 HD13 ILE 38 2HD1 ILE 38 1.553 11.247 0.615 294 H TYR 39 H TYR 39 -1.412 10.702 5.996 295 HA TYR 39 HA TYR 39 -0.689 8.632 7.739 296 HD1 TYR 39 HD2 TYR 39 -0.391 9.138 10.263 297 HD2 TYR 39 HD1 TYR 39 -4.538 9.779 9.538 298 HE1 TYR 39 HE2 TYR 39 -0.921 8.175 12.464 299 HE2 TYR 39 HE1 TYR 39 -5.076 8.822 11.733 300 HH TYR 39 HH TYR 39 -4.053 7.252 13.351 301 HB2 TYR 39 2HB TYR 39 -1.338 10.867 8.520 302 HB3 TYR 39 1HB TYR 39 -2.994 10.587 7.996 303 H GLN 40 H GLN 40 -3.836 9.207 6.139 304 HA GLN 40 HA GLN 40 -5.242 6.985 7.056 305 HB2 GLN 40 2HB GLN 40 -6.274 8.804 5.764 306 HB3 GLN 40 1HB GLN 40 -5.377 8.315 4.333 307 HG2 GLN 40 2HG GLN 40 -7.557 7.482 4.037 308 HG3 GLN 40 1HG GLN 40 -6.578 6.091 4.490 309 HE21 GLN 40 1HE2 GLN 40 -9.116 8.231 5.441 310 HE22 GLN 40 2HE2 GLN 40 -9.638 7.338 6.825 311 H VAL 41 H VAL 41 -3.256 7.271 4.101 312 HA VAL 41 HA VAL 41 -3.515 4.664 3.151 313 HB VAL 41 HB VAL 41 -1.116 6.501 2.921 314 HG11 VAL 41 1HG1 VAL 41 -0.515 5.193 0.940 315 HG12 VAL 41 2HG1 VAL 41 -1.856 4.093 1.255 316 HG13 VAL 41 3HG1 VAL 41 -0.513 4.192 2.392 317 HG21 VAL 41 3HG2 VAL 41 -3.185 7.497 2.073 318 HG22 VAL 41 1HG2 VAL 41 -3.456 6.081 1.053 319 HG23 VAL 41 2HG2 VAL 41 -2.067 7.131 0.759 320 H ARG 42 H ARG 42 -0.979 5.992 5.315 321 HA ARG 42 HA ARG 42 0.406 3.570 5.643 322 HE ARG 42 HE ARG 42 3.289 3.963 7.326 323 HB2 ARG 42 2HB ARG 42 0.260 5.986 7.447 324 HB3 ARG 42 1HB ARG 42 1.276 4.592 7.795 325 HG2 ARG 42 2HG ARG 42 2.147 5.050 5.332 326 HG3 ARG 42 1HG ARG 42 1.567 6.678 5.688 327 HD2 ARG 42 2HD ARG 42 3.904 6.523 6.265 328 HD3 ARG 42 1HD ARG 42 2.959 6.673 7.748 329 HH11 ARG 42 1HH1 ARG 42 5.330 6.678 7.888 330 HH12 ARG 42 2HH1 ARG 42 6.592 5.727 8.587 331 HH21 ARG 42 1HH2 ARG 42 4.885 2.754 8.234 332 HH22 ARG 42 2HH2 ARG 42 6.331 3.522 8.798 333 H LEU 43 H LEU 43 -2.427 4.828 7.385 334 HA LEU 43 HA LEU 43 -2.476 2.973 9.477 335 HG LEU 43 HG LEU 43 -3.518 5.891 9.154 336 HB2 LEU 43 2HB LEU 43 -4.789 4.183 7.950 337 HB3 LEU 43 1HB LEU 43 -4.972 3.253 9.427 338 HD11 LEU 43 1HD1 LEU 43 -5.937 6.122 9.053 339 HD12 LEU 43 2HD1 LEU 43 -5.311 6.755 10.575 340 HD13 LEU 43 3HD1 LEU 43 -6.105 5.181 10.538 341 HD21 LEU 43 3HD2 LEU 43 -3.237 5.805 11.573 342 HD22 LEU 43 1HD2 LEU 43 -2.435 4.432 10.804 343 HD23 LEU 43 2HD2 LEU 43 -3.985 4.206 11.619 344 H TYR 44 H TYR 44 -3.860 2.693 6.207 345 HA TYR 44 HA TYR 44 -4.705 -0.003 6.471 346 HD1 TYR 44 HD2 TYR 44 -6.950 -0.450 4.921 347 HD2 TYR 44 HD1 TYR 44 -5.464 3.497 4.331 348 HE1 TYR 44 HE2 TYR 44 -9.242 0.427 5.052 349 HE2 TYR 44 HE1 TYR 44 -7.754 4.385 4.462 350 HH TYR 44 HH TYR 44 -10.086 3.573 4.114 351 HB2 TYR 44 2HB TYR 44 -4.012 1.638 4.027 352 HB3 TYR 44 1HB TYR 44 -4.659 0.003 3.939 353 H LEU 45 H LEU 45 -1.654 1.406 5.302 354 HA LEU 45 HA LEU 45 -0.515 -0.992 4.321 355 HG LEU 45 HG LEU 45 -0.575 2.029 3.394 356 HB2 LEU 45 2HB LEU 45 0.855 1.511 5.323 357 HB3 LEU 45 1HB LEU 45 1.637 0.231 4.412 358 HD11 LEU 45 1HD1 LEU 45 1.146 2.932 1.913 359 HD12 LEU 45 2HD1 LEU 45 2.355 1.902 2.677 360 HD13 LEU 45 3HD1 LEU 45 1.566 3.176 3.608 361 HD21 LEU 45 3HD2 LEU 45 -0.761 -0.190 2.417 362 HD22 LEU 45 1HD2 LEU 45 0.954 -0.176 2.001 363 HD23 LEU 45 2HD2 LEU 45 -0.155 0.952 1.218 364 H GLU 46 H GLU 46 -0.009 0.694 7.414 365 HA GLU 46 HA GLU 46 1.794 -1.073 8.578 366 HB2 GLU 46 2HB GLU 46 -0.351 0.563 9.954 367 HB3 GLU 46 1HB GLU 46 1.048 -0.148 10.743 368 HG2 GLU 46 2HG GLU 46 1.070 2.039 8.668 369 HG3 GLU 46 1HG GLU 46 1.374 2.223 10.391 370 H GLN 47 H GLN 47 -1.789 -1.077 8.745 371 HA GLN 47 HA GLN 47 -2.015 -3.395 10.347 372 HB2 GLN 47 2HB GLN 47 -3.967 -2.280 8.314 373 HB3 GLN 47 1HB GLN 47 -4.344 -3.541 9.481 374 HG2 GLN 47 2HG GLN 47 -3.792 -1.937 11.304 375 HG3 GLN 47 1HG GLN 47 -3.604 -0.682 10.079 376 HE21 GLN 47 1HE2 GLN 47 -5.475 -0.801 12.282 377 HE22 GLN 47 2HE2 GLN 47 -7.053 -0.729 11.588 378 H LEU 48 H LEU 48 -2.187 -3.048 6.780 379 HA LEU 48 HA LEU 48 -2.398 -5.768 6.152 380 HG LEU 48 HG LEU 48 -3.526 -3.213 4.891 381 HB2 LEU 48 2HB LEU 48 -1.087 -3.529 4.602 382 HB3 LEU 48 1HB LEU 48 -1.381 -5.127 3.943 383 HD11 LEU 48 1HD1 LEU 48 -2.711 -4.002 2.091 384 HD12 LEU 48 2HD1 LEU 48 -2.438 -2.432 2.848 385 HD13 LEU 48 3HD1 LEU 48 -4.082 -2.978 2.522 386 HD21 LEU 48 3HD2 LEU 48 -5.093 -4.797 3.890 387 HD22 LEU 48 1HD2 LEU 48 -4.161 -5.559 5.181 388 HD23 LEU 48 2HD2 LEU 48 -3.757 -5.883 3.494 389 H HIS 49 H HIS 49 0.386 -3.869 7.069 390 HA HIS 49 HA HIS 49 2.408 -5.754 6.430 391 HD1 HIS 49 HD1 HIS 49 3.606 -4.268 10.421 392 HD2 HIS 49 HD2 HIS 49 5.526 -4.942 6.795 393 HE1 HIS 49 HE1 HIS 49 5.935 -4.982 11.014 394 HE2 HIS 49 HE2 HIS 49 7.031 -5.514 8.814 395 HB2 HIS 49 2HB HIS 49 3.046 -3.489 6.870 396 HB3 HIS 49 1HB HIS 49 2.254 -3.498 8.440 397 H ASP 50 H ASP 50 0.813 -5.028 9.545 398 HA ASP 50 HA ASP 50 2.126 -7.124 10.943 399 HB2 ASP 50 2HB ASP 50 -0.215 -5.354 11.615 400 HB3 ASP 50 1HB ASP 50 0.383 -6.582 12.729 401 H VAL 51 H VAL 51 -0.852 -7.109 9.091 402 HA VAL 51 HA VAL 51 -1.739 -9.627 10.231 403 HB VAL 51 HB VAL 51 -3.569 -9.579 8.633 404 HG11 VAL 51 1HG1 VAL 51 -3.796 -8.278 10.688 405 HG12 VAL 51 2HG1 VAL 51 -4.657 -7.505 9.356 406 HG13 VAL 51 3HG1 VAL 51 -3.099 -6.868 9.887 407 HG21 VAL 51 3HG2 VAL 51 -2.212 -7.145 7.467 408 HG22 VAL 51 1HG2 VAL 51 -3.815 -7.733 7.024 409 HG23 VAL 51 2HG2 VAL 51 -2.390 -8.716 6.687 410 H GLY 52 H GLY 52 0.613 -8.826 7.989 411 HA2 GLY 52 2HA GLY 52 2.090 -10.476 7.154 412 HA3 GLY 52 1HA GLY 52 0.794 -11.655 7.236 413 H VAL 53 H VAL 53 -0.031 -8.679 5.701 414 HA VAL 53 HA VAL 53 -0.090 -10.013 3.102 415 HB VAL 53 HB VAL 53 -1.160 -7.305 3.943 416 HG11 VAL 53 1HG1 VAL 53 -1.454 -8.765 1.306 417 HG12 VAL 53 2HG1 VAL 53 -0.581 -7.256 1.579 418 HG13 VAL 53 3HG1 VAL 53 -2.333 -7.306 1.766 419 HG21 VAL 53 3HG2 VAL 53 -3.359 -8.343 3.781 420 HG22 VAL 53 1HG2 VAL 53 -2.350 -9.219 4.934 421 HG23 VAL 53 2HG2 VAL 53 -2.621 -9.880 3.321 422 H LEU 54 H LEU 54 1.250 -6.999 4.484 423 HA LEU 54 HA LEU 54 2.993 -6.753 2.118 424 HG LEU 54 HG LEU 54 0.342 -5.088 2.648 425 HB2 LEU 54 2HB LEU 54 2.212 -4.674 4.168 426 HB3 LEU 54 1HB LEU 54 3.282 -4.393 2.808 427 HD11 LEU 54 1HD1 LEU 54 1.833 -2.532 2.033 428 HD12 LEU 54 2HD1 LEU 54 0.711 -2.803 3.369 429 HD13 LEU 54 3HD1 LEU 54 0.122 -2.822 1.709 430 HD21 LEU 54 3HD2 LEU 54 0.580 -4.733 0.233 431 HD22 LEU 54 1HD2 LEU 54 1.562 -6.089 0.790 432 HD23 LEU 54 2HD2 LEU 54 2.322 -4.538 0.434 433 H GLU 55 H GLU 55 5.113 -6.992 2.289 434 HA GLU 55 HA GLU 55 6.347 -7.286 4.937 435 HB2 GLU 55 2HB GLU 55 6.612 -9.169 3.380 436 HB3 GLU 55 1HB GLU 55 7.352 -8.102 2.194 437 HG2 GLU 55 2HG GLU 55 9.252 -7.744 3.628 438 HG3 GLU 55 1HG GLU 55 8.491 -8.658 4.928 439 H LYS 56 H LYS 56 8.166 -6.130 5.533 440 HA LYS 56 HA LYS 56 8.268 -3.441 4.666 441 HB2 LYS 56 2HB LYS 56 9.867 -3.090 6.370 442 HB3 LYS 56 1HB LYS 56 8.814 -4.354 6.983 443 HG2 LYS 56 2HG LYS 56 11.545 -4.784 5.758 444 HG3 LYS 56 1HG LYS 56 11.176 -4.792 7.482 445 HD2 LYS 56 2HD LYS 56 9.827 -6.768 7.250 446 HD3 LYS 56 1HD LYS 56 9.932 -6.696 5.490 447 HE2 LYS 56 2HE LYS 56 11.424 -8.403 6.348 448 HE3 LYS 56 1HE LYS 56 12.355 -7.091 5.631 449 HZ1 LYS 56 3HZ LYS 56 12.745 -6.220 7.862 450 HZ2 LYS 56 1HZ LYS 56 13.328 -7.798 7.710 451 HZ3 LYS 56 2HZ LYS 56 11.882 -7.506 8.532 452 H VAL 57 H VAL 57 9.658 -2.312 3.366 453 HA VAL 57 HA VAL 57 12.120 -3.647 2.430 454 HB VAL 57 HB VAL 57 10.347 -1.936 0.666 455 HG11 VAL 57 1HG1 VAL 57 11.888 -2.566 -1.138 456 HG12 VAL 57 2HG1 VAL 57 12.890 -3.444 0.019 457 HG13 VAL 57 3HG1 VAL 57 12.725 -1.690 0.144 458 HG21 VAL 57 3HG2 VAL 57 9.944 -3.997 -0.616 459 HG22 VAL 57 1HG2 VAL 57 9.327 -4.110 1.034 460 HG23 VAL 57 2HG2 VAL 57 10.836 -4.916 0.598 461 H ASN 58 H ASN 58 13.581 -2.507 3.613 462 HA ASN 58 HA ASN 58 14.854 -0.786 4.401 463 HB2 ASN 58 2HB ASN 58 15.408 -0.761 1.985 464 HB3 ASN 58 1HB ASN 58 14.141 0.430 1.715 465 HD21 ASN 58 1HD2 ASN 58 14.433 2.529 2.512 466 HD22 ASN 58 2HD2 ASN 58 16.006 3.131 2.901 467 H ALA 59 H ALA 59 13.571 -0.054 6.162 468 HA ALA 59 HA ALA 59 12.396 2.570 5.841 469 HB1 ALA 59 3HB ALA 59 10.564 1.135 5.115 470 HB2 ALA 59 1HB ALA 59 10.173 1.977 6.616 471 HB3 ALA 59 2HB ALA 59 10.626 0.271 6.654 472 H GLY 60 H GLY 60 11.225 3.206 7.987 473 HA2 GLY 60 2HA GLY 60 11.457 2.469 10.483 474 HA3 GLY 60 1HA GLY 60 13.166 2.697 10.133 475 H LYS 61 H LYS 61 14.004 4.686 10.427 476 HA LYS 61 HA LYS 61 12.193 7.017 10.315 477 HB2 LYS 61 2HB LYS 61 14.422 6.544 12.308 478 HB3 LYS 61 1HB LYS 61 13.593 8.083 12.096 479 HG2 LYS 61 2HG LYS 61 11.457 6.949 12.689 480 HG3 LYS 61 1HG LYS 61 12.374 5.483 13.032 481 HD2 LYS 61 2HD LYS 61 12.771 8.149 14.399 482 HD3 LYS 61 1HD LYS 61 11.870 6.790 15.068 483 HE2 LYS 61 2HE LYS 61 14.800 6.749 14.339 484 HE3 LYS 61 1HE LYS 61 14.158 6.943 15.969 485 HZ1 LYS 61 3HZ LYS 61 14.797 4.670 15.588 486 HZ2 LYS 61 1HZ LYS 61 13.809 4.569 14.218 487 HZ3 LYS 61 2HZ LYS 61 13.117 4.753 15.753 488 H GLY 62 H GLY 62 12.924 8.787 9.211 489 HA2 GLY 62 2HA GLY 62 14.323 10.088 7.892 490 HA3 GLY 62 1HA GLY 62 15.678 9.085 8.391 491 H VAL 63 H VAL 63 13.107 7.232 7.269 492 HA VAL 63 HA VAL 63 14.120 7.092 4.518 493 HB VAL 63 HB VAL 63 13.909 4.499 4.785 494 HG11 VAL 63 1HG1 VAL 63 16.263 5.970 5.974 495 HG12 VAL 63 2HG1 VAL 63 16.001 5.651 4.258 496 HG13 VAL 63 3HG1 VAL 63 16.269 4.311 5.373 497 HG21 VAL 63 3HG2 VAL 63 14.456 5.312 7.643 498 HG22 VAL 63 1HG2 VAL 63 14.523 3.669 7.005 499 HG23 VAL 63 2HG2 VAL 63 12.987 4.534 7.051 500 HA PRO 64 HA PRO 64 9.646 6.901 3.826 501 HB2 PRO 64 2HB PRO 64 10.532 6.417 1.033 502 HB3 PRO 64 1HB PRO 64 9.459 7.667 1.674 503 HG2 PRO 64 2HG PRO 64 11.937 8.268 0.868 504 HG3 PRO 64 1HG PRO 64 11.220 9.053 2.288 505 HD2 PRO 64 2HD PRO 64 13.204 6.799 2.169 506 HD3 PRO 64 1HD PRO 64 13.177 8.218 3.238 507 H GLY 65 H GLY 65 8.757 5.017 4.501 508 HA2 GLY 65 2HA GLY 65 9.772 2.456 4.146 509 HA3 GLY 65 1HA GLY 65 8.107 2.822 4.552 510 H LEU 66 H LEU 66 9.964 1.173 2.432 511 HA LEU 66 HA LEU 66 8.054 1.431 0.203 512 HG LEU 66 HG LEU 66 11.158 2.263 0.470 513 HB2 LEU 66 2HB LEU 66 10.635 -0.147 0.331 514 HB3 LEU 66 1HB LEU 66 9.660 0.151 -1.098 515 HD11 LEU 66 1HD1 LEU 66 12.668 0.794 -0.755 516 HD12 LEU 66 2HD1 LEU 66 12.616 2.398 -1.488 517 HD13 LEU 66 3HD1 LEU 66 11.742 1.057 -2.234 518 HD21 LEU 66 3HD2 LEU 66 9.574 2.483 -2.095 519 HD22 LEU 66 1HD2 LEU 66 10.571 3.756 -1.394 520 HD23 LEU 66 2HD2 LEU 66 9.143 3.185 -0.535 521 H TRP 67 H TRP 67 6.853 -0.379 -0.518 522 HA TRP 67 HA TRP 67 6.673 -2.573 1.454 523 HD1 TRP 67 HD1 TRP 67 4.518 1.178 0.851 524 HE1 TRP 67 HE1 TRP 67 4.368 2.223 3.195 525 HE3 TRP 67 HE3 TRP 67 4.897 -3.079 3.669 526 HZ2 TRP 67 HZ2 TRP 67 4.407 1.365 5.882 527 HZ3 TRP 67 HZ3 TRP 67 4.833 -2.874 6.122 528 HH2 TRP 67 HH2 TRP 67 4.594 -0.700 7.204 529 HB2 TRP 67 2HB TRP 67 4.388 -1.280 -0.058 530 HB3 TRP 67 1HB TRP 67 4.246 -2.579 1.123 531 H ARG 68 H ARG 68 6.265 -4.641 0.745 532 HA ARG 68 HA ARG 68 5.591 -5.118 -2.059 533 HE ARG 68 HE ARG 68 9.748 -8.497 0.721 534 HB2 ARG 68 2HB ARG 68 7.392 -6.667 -2.462 535 HB3 ARG 68 1HB ARG 68 8.103 -5.158 -1.906 536 HG2 ARG 68 2HG ARG 68 8.368 -6.105 0.338 537 HG3 ARG 68 1HG ARG 68 7.653 -7.620 -0.217 538 HD2 ARG 68 2HD ARG 68 9.502 -7.888 -1.820 539 HD3 ARG 68 1HD ARG 68 10.217 -6.384 -1.234 540 HH11 ARG 68 1HH1 ARG 68 12.021 -6.831 -1.266 541 HH12 ARG 68 2HH1 ARG 68 13.381 -7.404 -0.371 542 HH21 ARG 68 1HH2 ARG 68 11.479 -9.182 1.873 543 HH22 ARG 68 2HH2 ARG 68 13.077 -8.689 1.418 544 H LEU 69 H LEU 69 4.122 -6.786 -2.221 545 HA LEU 69 HA LEU 69 3.351 -8.234 0.124 546 HG LEU 69 HG LEU 69 2.985 -7.571 -3.497 547 HB2 LEU 69 2HB LEU 69 1.881 -9.530 -1.479 548 HB3 LEU 69 1HB LEU 69 1.601 -7.807 -1.374 549 HD11 LEU 69 1HD1 LEU 69 3.136 -9.555 -4.934 550 HD12 LEU 69 2HD1 LEU 69 2.559 -10.558 -3.600 551 HD13 LEU 69 3HD1 LEU 69 4.109 -9.722 -3.472 552 HD21 LEU 69 3HD2 LEU 69 0.558 -7.371 -3.466 553 HD22 LEU 69 1HD2 LEU 69 0.395 -9.121 -3.628 554 HD23 LEU 69 2HD2 LEU 69 1.103 -8.173 -4.937 555 H LEU 70 H LEU 70 3.219 -10.683 0.142 556 HA LEU 70 HA LEU 70 5.890 -11.649 0.058 557 HG LEU 70 HG LEU 70 3.584 -11.448 2.237 558 HB2 LEU 70 2HB LEU 70 3.327 -13.179 0.516 559 HB3 LEU 70 1HB LEU 70 4.942 -13.773 0.854 560 HD11 LEU 70 1HD1 LEU 70 3.589 -12.907 4.205 561 HD12 LEU 70 2HD1 LEU 70 4.260 -14.220 3.234 562 HD13 LEU 70 3HD1 LEU 70 2.646 -13.601 2.885 563 HD21 LEU 70 3HD2 LEU 70 6.292 -12.692 2.747 564 HD22 LEU 70 1HD2 LEU 70 5.528 -11.432 3.720 565 HD23 LEU 70 2HD2 LEU 70 5.998 -11.094 2.054 566 H GLU 71 H GLU 71 6.543 -11.514 -2.112 567 HA GLU 71 HA GLU 71 7.105 -12.344 -4.135 568 HB2 GLU 71 2HB GLU 71 5.766 -14.795 -3.008 569 HB3 GLU 71 1HB GLU 71 6.418 -14.779 -4.640 570 HG2 GLU 71 2HG GLU 71 8.054 -15.747 -3.205 571 HG3 GLU 71 1HG GLU 71 8.636 -14.158 -3.689 Start of MODEL 19 1 HA MET 1 HA MET 1 -15.875 3.857 4.100 2 H1 MET 1 1H MET 1 -18.810 3.875 4.504 3 H2 MET 1 2H MET 1 -17.997 4.525 3.172 4 H3 MET 1 3H MET 1 -17.768 5.188 4.709 5 HB2 MET 1 2HB MET 1 -17.557 2.458 6.201 6 HB3 MET 1 1HB MET 1 -15.806 2.391 6.056 7 HG2 MET 1 2HG MET 1 -17.453 4.822 6.739 8 HG3 MET 1 1HG MET 1 -16.451 3.883 7.846 9 HE1 MET 1 3HE MET 1 -15.311 6.158 8.620 10 HE2 MET 1 1HE MET 1 -16.267 7.084 7.462 11 HE3 MET 1 2HE MET 1 -14.515 7.281 7.520 12 H SER 2 H SER 2 -15.953 2.883 2.061 13 HA SER 2 HA SER 2 -17.463 0.400 1.724 14 HG SER 2 HG SER 2 -18.116 2.534 0.653 15 HB2 SER 2 2HB SER 2 -15.732 1.908 -0.257 16 HB3 SER 2 1HB SER 2 -16.766 0.531 -0.632 17 H GLU 3 H GLU 3 -16.511 -1.607 1.204 18 HA GLU 3 HA GLU 3 -14.089 -2.260 2.489 19 HB2 GLU 3 2HB GLU 3 -15.304 -3.878 0.241 20 HB3 GLU 3 1HB GLU 3 -14.348 -4.460 1.595 21 HG2 GLU 3 2HG GLU 3 -17.159 -3.381 1.701 22 HG3 GLU 3 1HG GLU 3 -16.662 -5.060 1.887 23 H SER 4 H SER 4 -14.728 -0.997 -0.642 24 HA SER 4 HA SER 4 -12.589 -1.880 -2.183 25 HG SER 4 HG SER 4 -14.651 -1.576 -3.466 26 HB2 SER 4 2HB SER 4 -13.836 0.880 -2.285 27 HB3 SER 4 1HB SER 4 -12.972 0.070 -3.590 28 H ILE 5 H ILE 5 -12.597 0.501 0.381 29 HA ILE 5 HA ILE 5 -10.395 2.068 -0.230 30 HB ILE 5 HB ILE 5 -11.240 1.086 2.510 31 HG12 ILE 5 2HG1 ILE 5 -11.902 3.643 1.016 32 HG13 ILE 5 1HG1 ILE 5 -13.006 2.297 1.276 33 HG21 ILE 5 1HG2 ILE 5 -8.952 1.923 2.570 34 HG22 ILE 5 2HG2 ILE 5 -10.036 3.047 3.388 35 HG23 ILE 5 3HG2 ILE 5 -9.456 3.408 1.762 36 HD11 ILE 5 3HD1 ILE 5 -11.812 4.049 3.416 37 HD12 ILE 5 1HD1 ILE 5 -12.907 2.693 3.690 38 HD13 ILE 5 2HD1 ILE 5 -13.469 4.115 2.811 39 H VAL 6 H VAL 6 -10.327 -0.910 1.761 40 HA VAL 6 HA VAL 6 -7.469 -1.013 1.862 41 HB VAL 6 HB VAL 6 -9.443 -3.246 2.415 42 HG11 VAL 6 1HG1 VAL 6 -7.153 -4.048 2.104 43 HG12 VAL 6 2HG1 VAL 6 -7.659 -4.215 3.782 44 HG13 VAL 6 3HG1 VAL 6 -6.576 -2.903 3.315 45 HG21 VAL 6 3HG2 VAL 6 -9.942 -1.293 3.785 46 HG22 VAL 6 1HG2 VAL 6 -8.259 -1.210 4.311 47 HG23 VAL 6 2HG2 VAL 6 -9.263 -2.586 4.775 48 H THR 7 H THR 7 -9.926 -2.793 0.015 49 HA THR 7 HA THR 7 -8.315 -4.621 -1.315 50 HB THR 7 HB THR 7 -10.814 -3.275 -2.384 51 HG1 THR 7 HG1 THR 7 -11.920 -4.781 -1.258 52 HG21 THR 7 3HG2 THR 7 -9.538 -5.917 -3.136 53 HG22 THR 7 1HG2 THR 7 -9.599 -4.473 -4.148 54 HG23 THR 7 2HG2 THR 7 -11.089 -5.320 -3.728 55 H LYS 8 H LYS 8 -9.059 -1.268 -2.224 56 HA LYS 8 HA LYS 8 -7.806 -1.260 -4.745 57 HB2 LYS 8 2HB LYS 8 -9.298 0.536 -4.088 58 HB3 LYS 8 1HB LYS 8 -8.239 0.986 -2.760 59 HG2 LYS 8 2HG LYS 8 -8.041 2.538 -4.634 60 HG3 LYS 8 1HG LYS 8 -6.520 1.695 -4.335 61 HD2 LYS 8 2HD LYS 8 -7.044 0.141 -6.186 62 HD3 LYS 8 1HD LYS 8 -8.534 1.033 -6.495 63 HE2 LYS 8 2HE LYS 8 -7.255 3.035 -7.031 64 HE3 LYS 8 1HE LYS 8 -5.751 2.202 -6.637 65 HZ1 LYS 8 3HZ LYS 8 -6.166 0.671 -8.455 66 HZ2 LYS 8 1HZ LYS 8 -6.125 2.265 -9.014 67 HZ3 LYS 8 2HZ LYS 8 -7.605 1.471 -8.837 68 H ILE 9 H ILE 9 -6.545 -0.287 -1.549 69 HA ILE 9 HA ILE 9 -3.951 0.387 -2.314 70 HB ILE 9 HB ILE 9 -4.903 -0.825 0.292 71 HG12 ILE 9 2HG1 ILE 9 -4.406 2.060 -0.521 72 HG13 ILE 9 1HG1 ILE 9 -5.987 1.312 -0.311 73 HG21 ILE 9 1HG2 ILE 9 -2.853 0.111 1.286 74 HG22 ILE 9 2HG2 ILE 9 -2.299 0.582 -0.322 75 HG23 ILE 9 3HG2 ILE 9 -2.497 -1.124 0.079 76 HD11 ILE 9 3HD1 ILE 9 -5.505 0.978 2.063 77 HD12 ILE 9 1HD1 ILE 9 -5.415 2.676 1.599 78 HD13 ILE 9 2HD1 ILE 9 -3.934 1.752 1.847 79 H ILE 10 H ILE 10 -5.193 -2.788 -1.244 80 HA ILE 10 HA ILE 10 -2.819 -4.258 -1.504 81 HB ILE 10 HB ILE 10 -5.657 -5.210 -1.987 82 HG12 ILE 10 2HG1 ILE 10 -3.953 -5.285 0.523 83 HG13 ILE 10 1HG1 ILE 10 -5.312 -4.200 0.247 84 HG21 ILE 10 1HG2 ILE 10 -3.145 -6.791 -1.400 85 HG22 ILE 10 2HG2 ILE 10 -4.048 -6.784 -2.915 86 HG23 ILE 10 3HG2 ILE 10 -4.779 -7.458 -1.459 87 HD11 ILE 10 3HD1 ILE 10 -5.458 -7.205 0.420 88 HD12 ILE 10 1HD1 ILE 10 -6.822 -6.117 0.150 89 HD13 ILE 10 2HD1 ILE 10 -5.936 -6.061 1.676 90 H SER 11 H SER 11 -5.369 -3.604 -3.889 91 HA SER 11 HA SER 11 -4.280 -5.065 -6.037 92 HG SER 11 HG SER 11 -5.597 -4.491 -8.154 93 HB2 SER 11 2HB SER 11 -6.583 -4.321 -6.114 94 HB3 SER 11 1HB SER 11 -6.082 -2.631 -6.052 95 H ILE 12 H ILE 12 -3.678 -1.760 -4.938 96 HA ILE 12 HA ILE 12 -2.172 -0.885 -7.170 97 HB ILE 12 HB ILE 12 -2.017 0.005 -4.277 98 HG12 ILE 12 2HG1 ILE 12 -3.414 1.300 -6.637 99 HG13 ILE 12 1HG1 ILE 12 -4.223 0.301 -5.434 100 HG21 ILE 12 1HG2 ILE 12 0.038 0.600 -5.433 101 HG22 ILE 12 2HG2 ILE 12 -0.933 2.040 -5.140 102 HG23 ILE 12 3HG2 ILE 12 -0.886 1.324 -6.750 103 HD11 ILE 12 3HD1 ILE 12 -4.539 2.672 -5.009 104 HD12 ILE 12 1HD1 ILE 12 -2.793 2.891 -4.886 105 HD13 ILE 12 2HD1 ILE 12 -3.645 1.899 -3.700 106 H VAL 13 H VAL 13 -1.112 -2.243 -4.034 107 HA VAL 13 HA VAL 13 1.635 -2.295 -4.486 108 HB VAL 13 HB VAL 13 -0.002 -4.359 -2.981 109 HG11 VAL 13 1HG1 VAL 13 2.255 -5.169 -3.450 110 HG12 VAL 13 2HG1 VAL 13 2.075 -4.801 -1.735 111 HG13 VAL 13 3HG1 VAL 13 2.942 -3.685 -2.790 112 HG21 VAL 13 3HG2 VAL 13 -0.406 -2.090 -2.164 113 HG22 VAL 13 1HG2 VAL 13 1.329 -1.825 -1.997 114 HG23 VAL 13 2HG2 VAL 13 0.516 -3.022 -0.986 115 H GLN 14 H GLN 14 -0.755 -4.845 -5.213 116 HA GLN 14 HA GLN 14 1.005 -6.624 -6.493 117 HB2 GLN 14 2HB GLN 14 -1.184 -7.344 -5.762 118 HB3 GLN 14 1HB GLN 14 -1.971 -6.209 -6.851 119 HG2 GLN 14 2HG GLN 14 -1.175 -7.442 -8.774 120 HG3 GLN 14 1HG GLN 14 -0.260 -8.530 -7.734 121 HE21 GLN 14 1HE2 GLN 14 -2.349 -8.732 -5.728 122 HE22 GLN 14 2HE2 GLN 14 -3.589 -9.715 -6.416 123 H GLU 15 H GLU 15 -0.984 -3.989 -7.816 124 HA GLU 15 HA GLU 15 -0.486 -4.496 -10.536 125 HB2 GLU 15 2HB GLU 15 -2.242 -2.931 -9.490 126 HB3 GLU 15 1HB GLU 15 -0.958 -1.730 -9.426 127 HG2 GLU 15 2HG GLU 15 -2.392 -1.484 -11.408 128 HG3 GLU 15 1HG GLU 15 -0.709 -1.802 -11.830 129 H ARG 16 H ARG 16 1.262 -2.532 -8.172 130 HA ARG 16 HA ARG 16 3.217 -1.517 -9.942 131 HE ARG 16 HE ARG 16 4.833 0.213 -9.391 132 HB2 ARG 16 2HB ARG 16 3.383 -2.090 -6.976 133 HB3 ARG 16 1HB ARG 16 4.613 -1.221 -7.885 134 HG2 ARG 16 2HG ARG 16 1.760 -0.366 -7.414 135 HG3 ARG 16 1HG ARG 16 3.222 0.364 -6.747 136 HD2 ARG 16 2HD ARG 16 2.336 0.338 -9.633 137 HD3 ARG 16 1HD ARG 16 2.444 1.732 -8.561 138 HH11 ARG 16 1HH1 ARG 16 3.159 3.185 -8.949 139 HH12 ARG 16 2HH1 ARG 16 4.526 4.151 -9.394 140 HH21 ARG 16 1HH2 ARG 16 6.555 1.420 -10.043 141 HH22 ARG 16 2HH2 ARG 16 6.427 3.153 -10.077 142 H GLN 17 H GLN 17 3.075 -4.523 -8.041 143 HA GLN 17 HA GLN 17 5.629 -5.445 -8.941 144 HB2 GLN 17 2HB GLN 17 3.317 -6.933 -7.695 145 HB3 GLN 17 1HB GLN 17 4.875 -7.665 -8.060 146 HG2 GLN 17 2HG GLN 17 5.908 -5.862 -6.596 147 HG3 GLN 17 1HG GLN 17 4.267 -5.488 -6.072 148 HE21 GLN 17 1HE2 GLN 17 6.535 -6.499 -4.541 149 HE22 GLN 17 2HE2 GLN 17 6.021 -7.995 -3.850 150 H ASN 18 H ASN 18 2.678 -5.159 -10.555 151 HA ASN 18 HA ASN 18 3.351 -7.156 -12.563 152 HB2 ASN 18 2HB ASN 18 1.289 -4.935 -12.614 153 HB3 ASN 18 1HB ASN 18 1.459 -6.185 -13.842 154 HD21 ASN 18 1HD2 ASN 18 -0.806 -5.550 -12.154 155 HD22 ASN 18 2HD2 ASN 18 -1.161 -6.986 -11.257 156 H MET 19 H MET 19 3.469 -3.638 -12.179 157 HA MET 19 HA MET 19 4.650 -3.142 -14.754 158 HB2 MET 19 2HB MET 19 4.479 -1.320 -12.335 159 HB3 MET 19 1HB MET 19 4.855 -0.827 -13.982 160 HG2 MET 19 2HG MET 19 2.241 -2.003 -13.052 161 HG3 MET 19 1HG MET 19 2.550 -0.300 -13.378 162 HE1 MET 19 3HE MET 19 4.397 -0.463 -15.987 163 HE2 MET 19 1HE MET 19 3.065 0.677 -15.793 164 HE3 MET 19 2HE MET 19 3.173 -0.312 -17.249 165 H ASP 20 H ASP 20 5.959 -2.428 -11.500 166 HA ASP 20 HA ASP 20 8.678 -2.403 -12.371 167 HB2 ASP 20 2HB ASP 20 7.687 -2.716 -9.528 168 HB3 ASP 20 1HB ASP 20 9.233 -2.061 -10.056 169 H ASP 21 H ASP 21 6.529 -4.885 -11.553 170 HA ASP 21 HA ASP 21 6.677 -7.130 -11.654 171 HB2 ASP 21 2HB ASP 21 8.442 -6.747 -13.395 172 HB3 ASP 21 1HB ASP 21 9.651 -6.872 -12.119 173 H GLY 22 H GLY 22 9.786 -6.242 -10.054 174 HA2 GLY 22 2HA GLY 22 8.793 -7.661 -7.650 175 HA3 GLY 22 1HA GLY 22 10.348 -8.085 -8.341 176 H ALA 23 H ALA 23 9.044 -4.813 -8.034 177 HA ALA 23 HA ALA 23 11.344 -4.132 -6.323 178 HB1 ALA 23 3HB ALA 23 9.540 -2.337 -7.951 179 HB2 ALA 23 1HB ALA 23 11.157 -2.872 -8.405 180 HB3 ALA 23 2HB ALA 23 10.938 -1.813 -7.011 181 HA PRO 24 HA PRO 24 8.680 -3.244 -2.816 182 HB2 PRO 24 2HB PRO 24 10.094 -1.236 -1.625 183 HB3 PRO 24 1HB PRO 24 10.573 -2.935 -1.540 184 HG2 PRO 24 2HG PRO 24 11.585 -0.770 -3.356 185 HG3 PRO 24 1HG PRO 24 12.503 -1.996 -2.461 186 HD2 PRO 24 2HD PRO 24 11.956 -2.253 -5.092 187 HD3 PRO 24 1HD PRO 24 12.035 -3.658 -4.008 188 H VAL 25 H VAL 25 6.847 -2.069 -2.696 189 HA VAL 25 HA VAL 25 6.426 0.058 -4.598 190 HB VAL 25 HB VAL 25 4.491 -1.019 -2.530 191 HG11 VAL 25 1HG1 VAL 25 2.763 -0.133 -4.036 192 HG12 VAL 25 2HG1 VAL 25 4.019 0.528 -5.084 193 HG13 VAL 25 3HG1 VAL 25 3.825 1.143 -3.442 194 HG21 VAL 25 3HG2 VAL 25 5.300 -2.828 -3.954 195 HG22 VAL 25 1HG2 VAL 25 4.920 -1.888 -5.398 196 HG23 VAL 25 2HG2 VAL 25 3.624 -2.444 -4.340 197 H LYS 26 H LYS 26 6.174 2.202 -4.219 198 HA LYS 26 HA LYS 26 7.058 3.204 -1.631 199 HB2 LYS 26 2HB LYS 26 6.487 4.677 -4.218 200 HB3 LYS 26 1HB LYS 26 7.160 5.404 -2.768 201 HG2 LYS 26 2HG LYS 26 8.951 5.037 -4.274 202 HG3 LYS 26 1HG LYS 26 9.108 3.844 -2.987 203 HD2 LYS 26 2HD LYS 26 8.133 2.131 -4.424 204 HD3 LYS 26 1HD LYS 26 7.885 3.323 -5.703 205 HE2 LYS 26 2HE LYS 26 10.571 2.531 -4.566 206 HE3 LYS 26 1HE LYS 26 9.886 1.904 -6.065 207 HZ1 LYS 26 3HZ LYS 26 11.441 3.703 -6.475 208 HZ2 LYS 26 1HZ LYS 26 10.523 4.755 -5.521 209 HZ3 LYS 26 2HZ LYS 26 9.884 4.145 -6.962 210 H THR 27 H THR 27 5.812 4.280 -0.178 211 HA THR 27 HA THR 27 3.042 4.081 -0.141 212 HB THR 27 HB THR 27 4.748 6.126 1.311 213 HG1 THR 27 HG1 THR 27 5.310 3.953 1.811 214 HG21 THR 27 3HG2 THR 27 2.889 6.196 2.948 215 HG22 THR 27 1HG2 THR 27 1.926 5.180 1.877 216 HG23 THR 27 2HG2 THR 27 2.402 6.801 1.362 217 H ARG 28 H ARG 28 5.030 6.622 -1.547 218 HA ARG 28 HA ARG 28 3.076 8.614 -1.917 219 HE ARG 28 HE ARG 28 7.424 10.519 -0.350 220 HB2 ARG 28 2HB ARG 28 5.685 7.955 -3.218 221 HB3 ARG 28 1HB ARG 28 4.634 9.098 -4.034 222 HG2 ARG 28 2HG ARG 28 6.318 10.195 -2.633 223 HG3 ARG 28 1HG ARG 28 4.672 10.573 -2.128 224 HD2 ARG 28 2HD ARG 28 4.831 9.120 -0.245 225 HD3 ARG 28 1HD ARG 28 6.338 8.419 -0.834 226 HH11 ARG 28 1HH1 ARG 28 4.278 10.150 1.017 227 HH12 ARG 28 2HH1 ARG 28 4.569 11.314 2.259 228 HH21 ARG 28 1HH2 ARG 28 7.763 12.011 1.239 229 HH22 ARG 28 2HH2 ARG 28 6.502 12.365 2.369 230 H ASP 29 H ASP 29 4.177 6.118 -4.233 231 HA ASP 29 HA ASP 29 2.410 6.707 -6.310 232 HB2 ASP 29 2HB ASP 29 3.595 4.022 -5.547 233 HB3 ASP 29 1HB ASP 29 2.885 4.414 -7.112 234 H ILE 30 H ILE 30 1.961 4.623 -3.484 235 HA ILE 30 HA ILE 30 -0.540 3.533 -4.259 236 HB ILE 30 HB ILE 30 0.506 3.950 -1.449 237 HG12 ILE 30 2HG1 ILE 30 0.776 1.548 -3.287 238 HG13 ILE 30 1HG1 ILE 30 2.073 2.669 -2.888 239 HG21 ILE 30 1HG2 ILE 30 -1.615 2.080 -2.522 240 HG22 ILE 30 2HG2 ILE 30 -1.882 3.476 -1.479 241 HG23 ILE 30 3HG2 ILE 30 -1.000 2.077 -0.870 242 HD11 ILE 30 3HD1 ILE 30 0.644 0.849 -0.964 243 HD12 ILE 30 1HD1 ILE 30 1.914 1.996 -0.537 244 HD13 ILE 30 2HD1 ILE 30 2.274 0.636 -1.601 245 H ALA 31 H ALA 31 0.253 6.264 -2.095 246 HA ALA 31 HA ALA 31 -2.373 7.096 -1.561 247 HB1 ALA 31 3HB ALA 31 -0.413 7.895 -0.311 248 HB2 ALA 31 1HB ALA 31 -1.399 9.233 -0.908 249 HB3 ALA 31 2HB ALA 31 0.107 8.815 -1.724 250 H ASP 32 H ASP 32 -0.246 7.791 -4.276 251 HA ASP 32 HA ASP 32 -1.772 9.851 -5.473 252 HB2 ASP 32 2HB ASP 32 0.568 9.481 -6.046 253 HB3 ASP 32 1HB ASP 32 0.191 7.882 -6.681 254 H ALA 33 H ALA 33 -1.622 6.347 -6.181 255 HA ALA 33 HA ALA 33 -3.630 6.446 -8.205 256 HB1 ALA 33 3HB ALA 33 -2.632 4.041 -6.678 257 HB2 ALA 33 1HB ALA 33 -1.882 4.714 -8.126 258 HB3 ALA 33 2HB ALA 33 -3.503 4.026 -8.211 259 H ALA 34 H ALA 34 -3.729 5.744 -4.744 260 HA ALA 34 HA ALA 34 -6.461 4.808 -4.787 261 HB1 ALA 34 3HB ALA 34 -6.256 4.649 -2.372 262 HB2 ALA 34 1HB ALA 34 -4.745 5.561 -2.416 263 HB3 ALA 34 2HB ALA 34 -4.832 3.960 -3.149 264 H GLY 35 H GLY 35 -4.857 7.876 -4.119 265 HA2 GLY 35 2HA GLY 35 -5.861 9.996 -4.129 266 HA3 GLY 35 1HA GLY 35 -7.442 9.231 -4.074 267 H LEU 36 H LEU 36 -5.686 7.743 -1.736 268 HA LEU 36 HA LEU 36 -6.919 9.275 0.399 269 HG LEU 36 HG LEU 36 -7.183 6.251 -0.692 270 HB2 LEU 36 2HB LEU 36 -5.153 6.824 0.561 271 HB3 LEU 36 1HB LEU 36 -6.129 7.485 1.861 272 HD11 LEU 36 1HD1 LEU 36 -6.221 4.608 0.832 273 HD12 LEU 36 2HD1 LEU 36 -7.975 4.450 0.746 274 HD13 LEU 36 3HD1 LEU 36 -7.227 5.223 2.145 275 HD21 LEU 36 3HD2 LEU 36 -8.656 8.028 0.095 276 HD22 LEU 36 1HD2 LEU 36 -8.677 7.314 1.710 277 HD23 LEU 36 2HD2 LEU 36 -9.393 6.447 0.351 278 H SER 37 H SER 37 -5.645 9.951 2.328 279 HA SER 37 HA SER 37 -3.294 11.420 1.498 280 HG SER 37 HG SER 37 -3.182 13.486 3.642 281 HB2 SER 37 2HB SER 37 -4.911 12.485 2.997 282 HB3 SER 37 1HB SER 37 -4.625 11.242 4.214 283 H ILE 38 H ILE 38 -1.263 11.422 2.727 284 HA ILE 38 HA ILE 38 -0.004 8.966 2.563 285 HB ILE 38 HB ILE 38 0.875 11.333 4.230 286 HG12 ILE 38 2HG1 ILE 38 0.466 11.941 1.884 287 HG13 ILE 38 1HG1 ILE 38 2.188 11.976 2.240 288 HG21 ILE 38 1HG2 ILE 38 2.105 9.320 4.833 289 HG22 ILE 38 2HG2 ILE 38 3.148 10.434 3.951 290 HG23 ILE 38 3HG2 ILE 38 2.482 9.018 3.135 291 HD11 ILE 38 3HD1 ILE 38 1.745 11.000 0.060 292 HD12 ILE 38 1HD1 ILE 38 0.737 9.760 0.808 293 HD13 ILE 38 2HD1 ILE 38 2.467 9.815 1.149 294 H TYR 39 H TYR 39 -0.975 10.604 5.620 295 HA TYR 39 HA TYR 39 -0.066 8.593 7.344 296 HD1 TYR 39 HD1 TYR 39 -2.427 12.014 6.483 297 HD2 TYR 39 HD2 TYR 39 -3.712 9.153 9.361 298 HE1 TYR 39 HE1 TYR 39 -4.737 12.808 6.231 299 HE2 TYR 39 HE2 TYR 39 -6.028 9.937 9.112 300 HH TYR 39 HH TYR 39 -7.182 12.080 8.376 301 HB2 TYR 39 2HB TYR 39 -1.377 9.594 9.074 302 HB3 TYR 39 1HB TYR 39 -0.816 10.899 8.040 303 H GLN 40 H GLN 40 -3.226 8.976 5.799 304 HA GLN 40 HA GLN 40 -4.555 6.833 7.051 305 HB2 GLN 40 2HB GLN 40 -5.708 8.628 5.841 306 HB3 GLN 40 1HB GLN 40 -4.998 8.089 4.328 307 HG2 GLN 40 2HG GLN 40 -6.242 5.996 4.477 308 HG3 GLN 40 1HG GLN 40 -6.936 6.512 6.016 309 HE21 GLN 40 1HE2 GLN 40 -9.047 6.426 5.203 310 HE22 GLN 40 2HE2 GLN 40 -9.643 7.602 4.090 311 H VAL 41 H VAL 41 -2.805 7.009 3.958 312 HA VAL 41 HA VAL 41 -3.236 4.373 3.109 313 HB VAL 41 HB VAL 41 -0.869 6.172 2.521 314 HG11 VAL 41 1HG1 VAL 41 -0.556 4.788 0.513 315 HG12 VAL 41 2HG1 VAL 41 -1.841 3.710 1.059 316 HG13 VAL 41 3HG1 VAL 41 -0.352 3.849 1.991 317 HG21 VAL 41 3HG2 VAL 41 -3.023 7.168 1.910 318 HG22 VAL 41 1HG2 VAL 41 -3.428 5.724 0.977 319 HG23 VAL 41 2HG2 VAL 41 -2.082 6.749 0.476 320 H ARG 42 H ARG 42 -0.423 5.721 4.907 321 HA ARG 42 HA ARG 42 0.974 3.272 5.044 322 HE ARG 42 HE ARG 42 3.141 4.739 8.461 323 HB2 ARG 42 2HB ARG 42 2.392 4.294 6.716 324 HB3 ARG 42 1HB ARG 42 2.057 5.452 5.435 325 HG2 ARG 42 2HG ARG 42 0.536 6.663 6.808 326 HG3 ARG 42 1HG ARG 42 0.550 5.402 8.042 327 HD2 ARG 42 2HD ARG 42 2.917 7.106 7.250 328 HD3 ARG 42 1HD ARG 42 1.913 7.354 8.680 329 HH11 ARG 42 1HH1 ARG 42 3.402 7.931 9.739 330 HH12 ARG 42 2HH1 ARG 42 4.518 7.458 10.970 331 HH21 ARG 42 1HH2 ARG 42 4.593 4.162 10.029 332 HH22 ARG 42 2HH2 ARG 42 5.180 5.357 11.133 333 H LEU 43 H LEU 43 -1.629 4.528 7.020 334 HA LEU 43 HA LEU 43 -1.338 2.754 9.212 335 HG LEU 43 HG LEU 43 -2.172 5.686 9.153 336 HB2 LEU 43 2HB LEU 43 -3.776 4.146 8.098 337 HB3 LEU 43 1HB LEU 43 -3.809 3.176 9.559 338 HD11 LEU 43 1HD1 LEU 43 -4.565 6.136 9.342 339 HD12 LEU 43 2HD1 LEU 43 -3.692 6.698 10.766 340 HD13 LEU 43 3HD1 LEU 43 -4.627 5.205 10.839 341 HD21 LEU 43 3HD2 LEU 43 -1.649 5.498 11.539 342 HD22 LEU 43 1HD2 LEU 43 -1.040 4.112 10.635 343 HD23 LEU 43 2HD2 LEU 43 -2.504 3.956 11.607 344 H TYR 44 H TYR 44 -3.415 2.525 6.296 345 HA TYR 44 HA TYR 44 -4.323 -0.105 6.855 346 HD1 TYR 44 HD1 TYR 44 -6.873 -0.487 5.980 347 HD2 TYR 44 HD2 TYR 44 -5.466 3.377 4.865 348 HE1 TYR 44 HE1 TYR 44 -9.007 0.496 6.705 349 HE2 TYR 44 HE2 TYR 44 -7.597 4.362 5.587 350 HH TYR 44 HH TYR 44 -9.900 2.627 7.424 351 HB2 TYR 44 2HB TYR 44 -4.203 1.460 4.274 352 HB3 TYR 44 1HB TYR 44 -4.915 -0.146 4.386 353 H LEU 45 H LEU 45 -1.589 1.073 4.904 354 HA LEU 45 HA LEU 45 -0.631 -1.384 3.958 355 HG LEU 45 HG LEU 45 -0.638 1.372 2.792 356 HB2 LEU 45 2HB LEU 45 0.851 1.120 4.777 357 HB3 LEU 45 1HB LEU 45 1.628 -0.238 3.982 358 HD11 LEU 45 1HD1 LEU 45 1.051 2.376 1.350 359 HD12 LEU 45 2HD1 LEU 45 2.320 1.496 2.199 360 HD13 LEU 45 3HD1 LEU 45 1.387 2.730 3.044 361 HD21 LEU 45 3HD2 LEU 45 -0.028 0.220 0.716 362 HD22 LEU 45 1HD2 LEU 45 -0.536 -0.918 1.962 363 HD23 LEU 45 2HD2 LEU 45 1.177 -0.722 1.593 364 H GLU 46 H GLU 46 -0.040 0.275 7.021 365 HA GLU 46 HA GLU 46 1.733 -1.552 8.196 366 HB2 GLU 46 2HB GLU 46 1.275 0.696 9.078 367 HB3 GLU 46 1HB GLU 46 -0.360 0.209 9.496 368 HG2 GLU 46 2HG GLU 46 0.514 -1.383 11.121 369 HG3 GLU 46 1HG GLU 46 2.164 -0.931 10.686 370 H GLN 47 H GLN 47 -1.825 -1.403 8.278 371 HA GLN 47 HA GLN 47 -2.299 -3.656 9.885 372 HB2 GLN 47 2HB GLN 47 -3.991 -2.556 7.622 373 HB3 GLN 47 1HB GLN 47 -4.549 -3.679 8.858 374 HG2 GLN 47 2HG GLN 47 -4.213 -2.023 10.581 375 HG3 GLN 47 1HG GLN 47 -3.506 -0.907 9.415 376 HE21 GLN 47 1HE2 GLN 47 -5.012 0.671 9.825 377 HE22 GLN 47 2HE2 GLN 47 -6.661 0.554 9.326 378 H LEU 48 H LEU 48 -1.796 -3.393 6.376 379 HA LEU 48 HA LEU 48 -2.230 -6.112 5.762 380 HG LEU 48 HG LEU 48 -2.965 -3.600 4.282 381 HB2 LEU 48 2HB LEU 48 -0.521 -4.034 4.395 382 HB3 LEU 48 1HB LEU 48 -0.797 -5.638 3.741 383 HD11 LEU 48 1HD1 LEU 48 -1.758 -4.481 1.659 384 HD12 LEU 48 2HD1 LEU 48 -1.511 -2.917 2.434 385 HD13 LEU 48 3HD1 LEU 48 -3.114 -3.370 1.862 386 HD21 LEU 48 3HD2 LEU 48 -3.086 -6.285 2.907 387 HD22 LEU 48 1HD2 LEU 48 -4.416 -5.133 3.051 388 HD23 LEU 48 2HD2 LEU 48 -3.755 -5.902 4.493 389 H HIS 49 H HIS 49 0.660 -4.430 6.940 390 HA HIS 49 HA HIS 49 2.343 -6.741 6.854 391 HD1 HIS 49 HD1 HIS 49 5.055 -6.771 7.308 392 HD2 HIS 49 HD2 HIS 49 3.888 -4.864 10.812 393 HE1 HIS 49 HE1 HIS 49 6.698 -7.502 9.053 394 HE2 HIS 49 HE2 HIS 49 5.856 -6.503 11.192 395 HB2 HIS 49 2HB HIS 49 3.385 -4.569 7.073 396 HB3 HIS 49 1HB HIS 49 2.493 -4.238 8.556 397 H ASP 50 H ASP 50 0.212 -5.346 9.291 398 HA ASP 50 HA ASP 50 0.781 -6.960 11.479 399 HB2 ASP 50 2HB ASP 50 -0.602 -4.951 11.596 400 HB3 ASP 50 1HB ASP 50 -1.846 -5.721 10.618 401 H VAL 51 H VAL 51 -1.521 -7.547 8.823 402 HA VAL 51 HA VAL 51 -2.332 -10.105 9.896 403 HB VAL 51 HB VAL 51 -3.679 -10.346 7.851 404 HG11 VAL 51 1HG1 VAL 51 -3.923 -7.617 9.132 405 HG12 VAL 51 2HG1 VAL 51 -4.592 -9.122 9.763 406 HG13 VAL 51 3HG1 VAL 51 -5.192 -8.462 8.242 407 HG21 VAL 51 3HG2 VAL 51 -2.158 -9.258 6.267 408 HG22 VAL 51 1HG2 VAL 51 -2.468 -7.699 7.031 409 HG23 VAL 51 2HG2 VAL 51 -3.771 -8.547 6.195 410 H GLY 52 H GLY 52 0.255 -9.060 7.899 411 HA2 GLY 52 2HA GLY 52 2.092 -10.603 7.611 412 HA3 GLY 52 1HA GLY 52 0.931 -11.898 7.403 413 H VAL 53 H VAL 53 -0.031 -9.175 5.642 414 HA VAL 53 HA VAL 53 0.570 -10.452 3.134 415 HB VAL 53 HB VAL 53 -0.654 -7.739 3.705 416 HG11 VAL 53 1HG1 VAL 53 -0.468 -9.243 1.086 417 HG12 VAL 53 2HG1 VAL 53 0.375 -7.746 1.492 418 HG13 VAL 53 3HG1 VAL 53 -1.384 -7.758 1.355 419 HG21 VAL 53 3HG2 VAL 53 -1.955 -10.329 2.854 420 HG22 VAL 53 1HG2 VAL 53 -2.773 -8.795 3.155 421 HG23 VAL 53 2HG2 VAL 53 -1.993 -9.656 4.483 422 H LEU 54 H LEU 54 1.598 -7.358 4.631 423 HA LEU 54 HA LEU 54 3.650 -7.078 2.524 424 HG LEU 54 HG LEU 54 0.921 -5.535 2.497 425 HB2 LEU 54 2HB LEU 54 2.431 -4.999 4.348 426 HB3 LEU 54 1HB LEU 54 3.731 -4.681 3.215 427 HD11 LEU 54 1HD1 LEU 54 0.716 -3.294 1.560 428 HD12 LEU 54 2HD1 LEU 54 2.348 -2.902 2.109 429 HD13 LEU 54 3HD1 LEU 54 1.074 -3.225 3.286 430 HD21 LEU 54 3HD2 LEU 54 3.291 -4.899 0.734 431 HD22 LEU 54 1HD2 LEU 54 1.632 -5.102 0.167 432 HD23 LEU 54 2HD2 LEU 54 2.484 -6.459 0.901 433 H GLU 55 H GLU 55 5.780 -6.587 3.013 434 HA GLU 55 HA GLU 55 6.616 -6.773 5.832 435 HB2 GLU 55 2HB GLU 55 8.817 -7.470 5.005 436 HB3 GLU 55 1HB GLU 55 7.561 -8.541 4.406 437 HG2 GLU 55 2HG GLU 55 7.615 -7.360 2.245 438 HG3 GLU 55 1HG GLU 55 8.917 -6.341 2.853 439 H LYS 56 H LYS 56 8.092 -5.239 6.647 440 HA LYS 56 HA LYS 56 7.824 -2.621 5.440 441 HB2 LYS 56 2HB LYS 56 9.290 -3.475 7.945 442 HB3 LYS 56 1HB LYS 56 8.975 -1.815 7.462 443 HG2 LYS 56 2HG LYS 56 6.595 -2.133 7.741 444 HG3 LYS 56 1HG LYS 56 6.832 -3.852 8.081 445 HD2 LYS 56 2HD LYS 56 7.875 -1.551 9.756 446 HD3 LYS 56 1HD LYS 56 6.490 -2.575 10.149 447 HE2 LYS 56 2HE LYS 56 7.928 -4.526 10.288 448 HE3 LYS 56 1HE LYS 56 9.322 -3.566 9.794 449 HZ1 LYS 56 3HZ LYS 56 9.284 -2.380 11.806 450 HZ2 LYS 56 1HZ LYS 56 9.099 -4.005 12.235 451 HZ3 LYS 56 2HZ LYS 56 7.761 -2.972 12.238 452 H VAL 57 H VAL 57 9.132 -2.285 3.685 453 HA VAL 57 HA VAL 57 11.926 -3.098 3.786 454 HB VAL 57 HB VAL 57 10.464 -1.600 1.600 455 HG11 VAL 57 1HG1 VAL 57 12.875 -1.223 1.516 456 HG12 VAL 57 2HG1 VAL 57 12.363 -2.250 0.178 457 HG13 VAL 57 3HG1 VAL 57 13.164 -2.962 1.580 458 HG21 VAL 57 3HG2 VAL 57 10.433 -3.772 0.426 459 HG22 VAL 57 1HG2 VAL 57 9.500 -3.803 1.923 460 HG23 VAL 57 2HG2 VAL 57 11.101 -4.543 1.866 461 H ASN 58 H ASN 58 12.726 -1.855 5.441 462 HA ASN 58 HA ASN 58 13.461 0.889 4.666 463 HB2 ASN 58 2HB ASN 58 12.537 0.045 7.435 464 HB3 ASN 58 1HB ASN 58 13.294 1.588 7.068 465 HD21 ASN 58 1HD2 ASN 58 11.920 1.935 4.544 466 HD22 ASN 58 2HD2 ASN 58 10.291 2.314 4.939 467 H ALA 59 H ALA 59 15.535 0.151 4.070 468 HA ALA 59 HA ALA 59 16.990 -1.692 5.741 469 HB1 ALA 59 3HB ALA 59 18.722 -1.572 4.052 470 HB2 ALA 59 1HB ALA 59 17.934 -0.182 3.306 471 HB3 ALA 59 2HB ALA 59 17.143 -1.759 3.292 472 H GLY 60 H GLY 60 17.721 1.659 4.673 473 HA2 GLY 60 2HA GLY 60 19.724 1.837 6.827 474 HA3 GLY 60 1HA GLY 60 19.634 2.880 5.420 475 H LYS 61 H LYS 61 19.981 4.495 7.205 476 HA LYS 61 HA LYS 61 17.548 5.161 8.705 477 HB2 LYS 61 2HB LYS 61 19.735 5.070 9.894 478 HB3 LYS 61 1HB LYS 61 20.314 6.383 8.879 479 HG2 LYS 61 2HG LYS 61 19.655 7.273 11.012 480 HG3 LYS 61 1HG LYS 61 18.521 7.835 9.784 481 HD2 LYS 61 2HD LYS 61 17.329 7.167 11.806 482 HD3 LYS 61 1HD LYS 61 16.924 6.088 10.469 483 HE2 LYS 61 2HE LYS 61 18.500 4.425 11.325 484 HE3 LYS 61 1HE LYS 61 18.942 5.508 12.643 485 HZ1 LYS 61 3HZ LYS 61 16.648 5.394 13.432 486 HZ2 LYS 61 1HZ LYS 61 17.371 3.865 13.389 487 HZ3 LYS 61 2HZ LYS 61 16.263 4.306 12.192 488 H GLY 62 H GLY 62 16.332 6.957 8.302 489 HA2 GLY 62 2HA GLY 62 15.754 9.036 7.403 490 HA3 GLY 62 1HA GLY 62 17.309 9.098 6.590 491 H VAL 63 H VAL 63 15.196 6.345 6.322 492 HA VAL 63 HA VAL 63 14.887 6.909 3.446 493 HB VAL 63 HB VAL 63 14.606 4.500 3.132 494 HG11 VAL 63 1HG1 VAL 63 16.893 3.790 3.705 495 HG12 VAL 63 2HG1 VAL 63 17.054 5.189 4.767 496 HG13 VAL 63 3HG1 VAL 63 16.860 5.420 3.029 497 HG21 VAL 63 3HG2 VAL 63 15.016 4.291 6.125 498 HG22 VAL 63 1HG2 VAL 63 14.959 2.928 5.002 499 HG23 VAL 63 2HG2 VAL 63 13.530 3.932 5.245 500 HA PRO 64 HA PRO 64 10.435 7.020 3.911 501 HB2 PRO 64 2HB PRO 64 9.641 6.378 1.414 502 HB3 PRO 64 1HB PRO 64 10.449 7.912 1.770 503 HG2 PRO 64 2HG PRO 64 11.601 5.382 0.635 504 HG3 PRO 64 1HG PRO 64 11.852 7.058 0.104 505 HD2 PRO 64 2HD PRO 64 13.627 5.716 1.681 506 HD3 PRO 64 1HD PRO 64 13.414 7.478 1.753 507 H GLY 65 H GLY 65 8.508 5.666 3.864 508 HA2 GLY 65 2HA GLY 65 9.034 2.937 4.574 509 HA3 GLY 65 1HA GLY 65 7.459 3.704 4.484 510 H LEU 66 H LEU 66 9.702 1.602 2.918 511 HA LEU 66 HA LEU 66 8.014 1.478 0.502 512 HG LEU 66 HG LEU 66 11.050 2.490 0.917 513 HB2 LEU 66 2HB LEU 66 10.631 0.081 1.096 514 HB3 LEU 66 1HB LEU 66 9.795 0.098 -0.445 515 HD11 LEU 66 1HD1 LEU 66 12.650 2.432 -0.933 516 HD12 LEU 66 2HD1 LEU 66 11.895 0.961 -1.547 517 HD13 LEU 66 3HD1 LEU 66 12.710 0.948 0.017 518 HD21 LEU 66 3HD2 LEU 66 9.680 2.284 -1.769 519 HD22 LEU 66 1HD2 LEU 66 10.531 3.699 -1.148 520 HD23 LEU 66 2HD2 LEU 66 9.066 3.132 -0.349 521 H TRP 67 H TRP 67 6.828 -0.377 -0.022 522 HA TRP 67 HA TRP 67 6.671 -2.418 2.116 523 HD1 TRP 67 HD1 TRP 67 4.745 1.229 1.284 524 HE1 TRP 67 HE1 TRP 67 4.402 2.393 3.549 525 HE3 TRP 67 HE3 TRP 67 4.430 -2.904 4.277 526 HZ2 TRP 67 HZ2 TRP 67 4.048 1.659 6.252 527 HZ3 TRP 67 HZ3 TRP 67 4.089 -2.587 6.693 528 HH2 TRP 67 HH2 TRP 67 3.903 -0.351 7.662 529 HB2 TRP 67 2HB TRP 67 4.377 -1.293 0.490 530 HB3 TRP 67 1HB TRP 67 4.247 -2.531 1.737 531 H ARG 68 H ARG 68 6.538 -4.536 1.549 532 HA ARG 68 HA ARG 68 6.275 -5.226 -1.316 533 HE ARG 68 HE ARG 68 9.626 -7.879 -3.633 534 HB2 ARG 68 2HB ARG 68 8.707 -5.105 -0.375 535 HB3 ARG 68 1HB ARG 68 8.296 -6.589 0.459 536 HG2 ARG 68 2HG ARG 68 7.849 -7.696 -1.657 537 HG3 ARG 68 1HG ARG 68 8.184 -6.198 -2.530 538 HD2 ARG 68 2HD ARG 68 10.486 -6.247 -1.478 539 HD3 ARG 68 1HD ARG 68 10.109 -7.880 -0.931 540 HH11 ARG 68 1HH1 ARG 68 12.321 -7.332 -1.561 541 HH12 ARG 68 2HH1 ARG 68 13.479 -7.776 -2.768 542 HH21 ARG 68 1HH2 ARG 68 11.126 -8.421 -5.186 543 HH22 ARG 68 2HH2 ARG 68 12.809 -8.354 -4.811 544 H LEU 69 H LEU 69 4.822 -6.909 -1.612 545 HA LEU 69 HA LEU 69 3.738 -8.161 0.751 546 HG LEU 69 HG LEU 69 3.800 -8.095 -2.969 547 HB2 LEU 69 2HB LEU 69 2.153 -9.276 -0.754 548 HB3 LEU 69 1HB LEU 69 2.188 -7.540 -0.972 549 HD11 LEU 69 1HD1 LEU 69 3.262 -10.216 -4.076 550 HD12 LEU 69 2HD1 LEU 69 2.312 -10.707 -2.673 551 HD13 LEU 69 3HD1 LEU 69 4.053 -10.473 -2.521 552 HD21 LEU 69 3HD2 LEU 69 1.614 -7.039 -3.185 553 HD22 LEU 69 1HD2 LEU 69 0.825 -8.616 -3.096 554 HD23 LEU 69 2HD2 LEU 69 1.866 -8.223 -4.465 555 H LEU 70 H LEU 70 3.951 -10.226 1.446 556 HA LEU 70 HA LEU 70 5.802 -11.986 -0.038 557 HG LEU 70 HG LEU 70 4.667 -12.312 3.500 558 HB2 LEU 70 2HB LEU 70 6.770 -12.760 2.027 559 HB3 LEU 70 1HB LEU 70 6.908 -11.018 1.950 560 HD11 LEU 70 1HD1 LEU 70 6.771 -13.297 4.306 561 HD12 LEU 70 2HD1 LEU 70 6.035 -12.236 5.505 562 HD13 LEU 70 3HD1 LEU 70 7.423 -11.679 4.569 563 HD21 LEU 70 3HD2 LEU 70 6.089 -9.654 3.741 564 HD22 LEU 70 1HD2 LEU 70 4.791 -10.220 4.794 565 HD23 LEU 70 2HD2 LEU 70 4.475 -9.918 3.088 566 H GLU 71 H GLU 71 2.731 -11.686 0.503 567 HA GLU 71 HA GLU 71 2.252 -14.559 0.917 568 HB2 GLU 71 2HB GLU 71 1.796 -13.394 3.043 569 HB3 GLU 71 1HB GLU 71 0.670 -12.325 2.219 570 HG2 GLU 71 2HG GLU 71 -0.853 -14.115 1.814 571 HG3 GLU 71 1HG GLU 71 0.322 -15.312 2.356 Start of MODEL 20 1 HA MET 1 HA MET 1 -19.380 -0.133 2.234 2 H1 MET 1 1H MET 1 -18.329 1.992 2.691 3 H2 MET 1 2H MET 1 -17.123 1.661 1.549 4 H3 MET 1 3H MET 1 -17.258 0.706 2.938 5 HB2 MET 1 2HB MET 1 -18.918 1.633 -0.183 6 HB3 MET 1 1HB MET 1 -20.178 0.412 -0.078 7 HG2 MET 1 2HG MET 1 -21.226 1.609 1.750 8 HG3 MET 1 1HG MET 1 -19.928 2.798 1.744 9 HE1 MET 1 3HE MET 1 -22.950 2.282 -1.720 10 HE2 MET 1 1HE MET 1 -22.986 1.319 -0.242 11 HE3 MET 1 2HE MET 1 -21.660 1.127 -1.388 12 H SER 2 H SER 2 -19.193 -2.190 1.535 13 HA SER 2 HA SER 2 -18.363 -4.086 0.602 14 HG SER 2 HG SER 2 -19.894 -2.271 -1.282 15 HB2 SER 2 2HB SER 2 -17.678 -2.185 -1.652 16 HB3 SER 2 1HB SER 2 -17.650 -3.941 -1.781 17 H GLU 3 H GLU 3 -16.406 -2.220 2.122 18 HA GLU 3 HA GLU 3 -14.227 -2.279 2.796 19 HB2 GLU 3 2HB GLU 3 -14.854 -4.707 3.008 20 HB3 GLU 3 1HB GLU 3 -14.169 -4.979 1.413 21 HG2 GLU 3 2HG GLU 3 -11.969 -4.305 2.231 22 HG3 GLU 3 1HG GLU 3 -12.651 -3.994 3.826 23 H SER 4 H SER 4 -14.878 -1.130 0.178 24 HA SER 4 HA SER 4 -13.289 -1.824 -1.961 25 HG SER 4 HG SER 4 -14.983 1.781 -1.201 26 HB2 SER 4 2HB SER 4 -13.544 0.547 -2.709 27 HB3 SER 4 1HB SER 4 -15.056 -0.184 -2.171 28 H ILE 5 H ILE 5 -12.449 0.708 0.428 29 HA ILE 5 HA ILE 5 -10.065 1.555 -0.642 30 HB ILE 5 HB ILE 5 -10.772 1.338 2.292 31 HG12 ILE 5 2HG1 ILE 5 -12.376 2.660 0.985 32 HG13 ILE 5 1HG1 ILE 5 -11.446 3.695 2.062 33 HG21 ILE 5 1HG2 ILE 5 -8.360 1.628 2.009 34 HG22 ILE 5 2HG2 ILE 5 -9.102 3.081 2.681 35 HG23 ILE 5 3HG2 ILE 5 -8.640 3.032 0.976 36 HD11 ILE 5 3HD1 ILE 5 -10.053 4.402 0.188 37 HD12 ILE 5 1HD1 ILE 5 -11.760 4.722 -0.116 38 HD13 ILE 5 2HD1 ILE 5 -10.970 3.351 -0.892 39 H VAL 6 H VAL 6 -10.522 -1.236 1.514 40 HA VAL 6 HA VAL 6 -7.794 -1.783 1.980 41 HB VAL 6 HB VAL 6 -10.119 -3.720 1.966 42 HG11 VAL 6 1HG1 VAL 6 -7.386 -3.982 3.236 43 HG12 VAL 6 2HG1 VAL 6 -7.970 -4.886 1.838 44 HG13 VAL 6 3HG1 VAL 6 -8.721 -5.121 3.416 45 HG21 VAL 6 3HG2 VAL 6 -10.487 -1.870 3.506 46 HG22 VAL 6 1HG2 VAL 6 -8.897 -2.125 4.227 47 HG23 VAL 6 2HG2 VAL 6 -10.154 -3.350 4.402 48 H THR 7 H THR 7 -10.036 -3.435 -0.290 49 HA THR 7 HA THR 7 -8.038 -4.964 -1.579 50 HB THR 7 HB THR 7 -10.715 -4.087 -2.708 51 HG1 THR 7 HG1 THR 7 -9.931 -6.289 -1.080 52 HG21 THR 7 3HG2 THR 7 -8.904 -6.390 -3.465 53 HG22 THR 7 1HG2 THR 7 -9.236 -4.960 -4.444 54 HG23 THR 7 2HG2 THR 7 -10.526 -6.114 -4.100 55 H LYS 8 H LYS 8 -9.305 -1.743 -2.216 56 HA LYS 8 HA LYS 8 -8.217 -1.222 -4.720 57 HB2 LYS 8 2HB LYS 8 -9.797 0.275 -3.563 58 HB3 LYS 8 1HB LYS 8 -8.561 0.678 -2.379 59 HG2 LYS 8 2HG LYS 8 -8.803 2.455 -4.010 60 HG3 LYS 8 1HG LYS 8 -7.207 1.708 -4.146 61 HD2 LYS 8 2HD LYS 8 -8.003 0.376 -6.055 62 HD3 LYS 8 1HD LYS 8 -9.590 1.139 -5.922 63 HE2 LYS 8 2HE LYS 8 -8.611 3.311 -6.416 64 HE3 LYS 8 1HE LYS 8 -6.998 2.596 -6.469 65 HZ1 LYS 8 3HZ LYS 8 -9.240 1.988 -8.318 66 HZ2 LYS 8 1HZ LYS 8 -7.717 1.251 -8.355 67 HZ3 LYS 8 2HZ LYS 8 -7.866 2.903 -8.682 68 H ILE 9 H ILE 9 -6.784 -0.561 -1.522 69 HA ILE 9 HA ILE 9 -4.312 0.406 -2.411 70 HB ILE 9 HB ILE 9 -5.059 -0.992 0.162 71 HG12 ILE 9 2HG1 ILE 9 -4.649 1.933 -0.535 72 HG13 ILE 9 1HG1 ILE 9 -6.198 1.147 -0.240 73 HG21 ILE 9 1HG2 ILE 9 -2.974 -0.079 1.111 74 HG22 ILE 9 2HG2 ILE 9 -2.493 0.459 -0.498 75 HG23 ILE 9 3HG2 ILE 9 -2.668 -1.263 -0.161 76 HD11 ILE 9 3HD1 ILE 9 -3.993 1.586 1.760 77 HD12 ILE 9 1HD1 ILE 9 -5.487 0.701 2.079 78 HD13 ILE 9 2HD1 ILE 9 -5.546 2.420 1.684 79 H ILE 10 H ILE 10 -5.237 -2.931 -1.520 80 HA ILE 10 HA ILE 10 -2.691 -4.086 -1.807 81 HB ILE 10 HB ILE 10 -5.402 -5.388 -2.158 82 HG12 ILE 10 2HG1 ILE 10 -3.548 -5.191 0.241 83 HG13 ILE 10 1HG1 ILE 10 -5.081 -4.348 0.049 84 HG21 ILE 10 1HG2 ILE 10 -4.258 -7.512 -1.739 85 HG22 ILE 10 2HG2 ILE 10 -2.708 -6.675 -1.679 86 HG23 ILE 10 3HG2 ILE 10 -3.622 -6.731 -3.186 87 HD11 ILE 10 3HD1 ILE 10 -4.718 -7.330 0.263 88 HD12 ILE 10 1HD1 ILE 10 -6.256 -6.490 0.063 89 HD13 ILE 10 2HD1 ILE 10 -5.308 -6.252 1.529 90 H SER 11 H SER 11 -5.303 -3.736 -4.218 91 HA SER 11 HA SER 11 -4.047 -5.113 -6.335 92 HG SER 11 HG SER 11 -6.443 -2.283 -5.750 93 HB2 SER 11 2HB SER 11 -5.588 -3.987 -7.825 94 HB3 SER 11 1HB SER 11 -6.448 -4.383 -6.338 95 H ILE 12 H ILE 12 -3.775 -1.754 -5.279 96 HA ILE 12 HA ILE 12 -2.170 -0.806 -7.399 97 HB ILE 12 HB ILE 12 -2.269 0.113 -4.515 98 HG12 ILE 12 2HG1 ILE 12 -3.678 1.280 -6.933 99 HG13 ILE 12 1HG1 ILE 12 -4.436 0.136 -5.831 100 HG21 ILE 12 1HG2 ILE 12 -0.252 0.936 -5.576 101 HG22 ILE 12 2HG2 ILE 12 -1.402 2.260 -5.397 102 HG23 ILE 12 3HG2 ILE 12 -1.176 1.497 -6.970 103 HD11 ILE 12 3HD1 ILE 12 -5.086 2.402 -5.310 104 HD12 ILE 12 1HD1 ILE 12 -3.395 2.866 -5.109 105 HD13 ILE 12 2HD1 ILE 12 -4.136 1.716 -3.992 106 H VAL 13 H VAL 13 -1.309 -2.326 -4.301 107 HA VAL 13 HA VAL 13 1.489 -2.078 -4.512 108 HB VAL 13 HB VAL 13 -0.056 -4.310 -3.160 109 HG11 VAL 13 1HG1 VAL 13 2.314 -4.848 -3.460 110 HG12 VAL 13 2HG1 VAL 13 1.945 -4.563 -1.759 111 HG13 VAL 13 3HG1 VAL 13 2.766 -3.319 -2.703 112 HG21 VAL 13 3HG2 VAL 13 -0.781 -2.124 -2.357 113 HG22 VAL 13 1HG2 VAL 13 0.893 -1.661 -2.046 114 HG23 VAL 13 2HG2 VAL 13 0.149 -2.960 -1.113 115 H GLN 14 H GLN 14 -0.614 -4.851 -5.379 116 HA GLN 14 HA GLN 14 1.350 -6.444 -6.598 117 HB2 GLN 14 2HB GLN 14 -0.919 -7.251 -6.020 118 HB3 GLN 14 1HB GLN 14 -1.595 -6.259 -7.303 119 HG2 GLN 14 2HG GLN 14 -1.475 -8.489 -8.117 120 HG3 GLN 14 1HG GLN 14 -0.218 -7.565 -8.935 121 HE21 GLN 14 1HE2 GLN 14 1.031 -9.350 -9.404 122 HE22 GLN 14 2HE2 GLN 14 1.868 -10.257 -8.200 123 H GLU 15 H GLU 15 -0.711 -3.908 -7.944 124 HA GLU 15 HA GLU 15 -0.203 -4.010 -10.633 125 HB2 GLU 15 2HB GLU 15 -1.754 -2.423 -9.808 126 HB3 GLU 15 1HB GLU 15 -0.570 -1.698 -8.736 127 HG2 GLU 15 2HG GLU 15 -1.057 -0.202 -10.551 128 HG3 GLU 15 1HG GLU 15 0.610 -0.755 -10.658 129 H ARG 16 H ARG 16 1.756 -2.157 -8.279 130 HA ARG 16 HA ARG 16 3.745 -1.368 -10.124 131 HE ARG 16 HE ARG 16 2.545 -0.111 -10.413 132 HB2 ARG 16 2HB ARG 16 3.979 -1.688 -7.123 133 HB3 ARG 16 1HB ARG 16 5.079 -0.776 -8.146 134 HG2 ARG 16 2HG ARG 16 2.151 -0.136 -7.785 135 HG3 ARG 16 1HG ARG 16 3.464 0.631 -6.897 136 HD2 ARG 16 2HD ARG 16 3.015 2.141 -8.609 137 HD3 ARG 16 1HD ARG 16 4.408 1.249 -9.209 138 HH11 ARG 16 1HH1 ARG 16 2.524 3.283 -9.806 139 HH12 ARG 16 2HH1 ARG 16 1.641 3.646 -11.250 140 HH21 ARG 16 1HH2 ARG 16 1.375 0.365 -12.263 141 HH22 ARG 16 2HH2 ARG 16 0.987 2.015 -12.613 142 H GLN 17 H GLN 17 3.478 -4.210 -8.029 143 HA GLN 17 HA GLN 17 6.134 -5.153 -8.657 144 HB2 GLN 17 2HB GLN 17 3.844 -6.544 -7.250 145 HB3 GLN 17 1HB GLN 17 5.493 -7.154 -7.355 146 HG2 GLN 17 2HG GLN 17 6.292 -5.168 -6.146 147 HG3 GLN 17 1HG GLN 17 4.631 -4.595 -6.013 148 HE21 GLN 17 1HE2 GLN 17 4.635 -4.628 -3.787 149 HE22 GLN 17 2HE2 GLN 17 4.615 -6.092 -2.882 150 H ASN 18 H ASN 18 3.056 -5.420 -10.178 151 HA ASN 18 HA ASN 18 3.663 -7.730 -11.762 152 HB2 ASN 18 2HB ASN 18 1.706 -5.454 -12.140 153 HB3 ASN 18 1HB ASN 18 1.880 -6.751 -13.319 154 HD21 ASN 18 1HD2 ASN 18 -0.413 -6.007 -11.668 155 HD22 ASN 18 2HD2 ASN 18 -0.816 -7.414 -10.755 156 H MET 19 H MET 19 4.155 -4.246 -12.107 157 HA MET 19 HA MET 19 5.432 -4.322 -14.646 158 HB2 MET 19 2HB MET 19 5.705 -2.363 -12.352 159 HB3 MET 19 1HB MET 19 6.416 -2.118 -13.942 160 HG2 MET 19 2HG MET 19 3.472 -2.409 -13.364 161 HG3 MET 19 1HG MET 19 4.320 -0.893 -13.679 162 HE1 MET 19 3HE MET 19 2.209 -1.404 -16.942 163 HE2 MET 19 1HE MET 19 2.595 -0.308 -15.614 164 HE3 MET 19 2HE MET 19 1.733 -1.813 -15.294 165 H ASP 20 H ASP 20 6.910 -4.005 -11.396 166 HA ASP 20 HA ASP 20 9.216 -5.569 -12.385 167 HB2 ASP 20 2HB ASP 20 9.268 -3.222 -10.469 168 HB3 ASP 20 1HB ASP 20 10.646 -4.266 -10.806 169 H ASP 21 H ASP 21 8.939 -7.537 -11.504 170 HA ASP 21 HA ASP 21 7.432 -8.090 -9.203 171 HB2 ASP 21 2HB ASP 21 8.295 -10.384 -9.401 172 HB3 ASP 21 1HB ASP 21 7.793 -9.739 -10.960 173 H GLY 22 H GLY 22 10.642 -6.925 -9.357 174 HA2 GLY 22 2HA GLY 22 11.171 -7.879 -6.599 175 HA3 GLY 22 1HA GLY 22 12.428 -7.579 -7.783 176 H ALA 23 H ALA 23 9.895 -5.251 -7.763 177 HA ALA 23 HA ALA 23 11.752 -3.334 -6.511 178 HB1 ALA 23 3HB ALA 23 10.575 -1.597 -7.751 179 HB2 ALA 23 1HB ALA 23 9.444 -2.795 -8.381 180 HB3 ALA 23 2HB ALA 23 11.146 -2.862 -8.837 181 HA PRO 24 HA PRO 24 8.814 -2.973 -3.113 182 HB2 PRO 24 2HB PRO 24 10.062 -0.946 -1.804 183 HB3 PRO 24 1HB PRO 24 10.642 -2.614 -1.759 184 HG2 PRO 24 2HG PRO 24 11.597 -0.321 -3.444 185 HG3 PRO 24 1HG PRO 24 12.548 -1.527 -2.556 186 HD2 PRO 24 2HD PRO 24 12.100 -1.700 -5.228 187 HD3 PRO 24 1HD PRO 24 12.276 -3.133 -4.193 188 H VAL 25 H VAL 25 6.965 -1.821 -2.904 189 HA VAL 25 HA VAL 25 6.444 0.347 -4.738 190 HB VAL 25 HB VAL 25 4.594 -0.776 -2.619 191 HG11 VAL 25 1HG1 VAL 25 2.804 0.082 -4.057 192 HG12 VAL 25 2HG1 VAL 25 4.006 0.733 -5.170 193 HG13 VAL 25 3HG1 VAL 25 3.882 1.376 -3.534 194 HG21 VAL 25 3HG2 VAL 25 5.351 -2.602 -4.025 195 HG22 VAL 25 1HG2 VAL 25 4.973 -1.678 -5.481 196 HG23 VAL 25 2HG2 VAL 25 3.677 -2.211 -4.410 197 H LYS 26 H LYS 26 6.069 2.482 -4.254 198 HA LYS 26 HA LYS 26 6.980 3.423 -1.643 199 HB2 LYS 26 2HB LYS 26 6.443 4.863 -4.251 200 HB3 LYS 26 1HB LYS 26 6.859 5.702 -2.765 201 HG2 LYS 26 2HG LYS 26 8.830 5.493 -4.102 202 HG3 LYS 26 1HG LYS 26 8.995 4.446 -2.693 203 HD2 LYS 26 2HD LYS 26 8.309 2.516 -4.106 204 HD3 LYS 26 1HD LYS 26 8.272 3.593 -5.504 205 HE2 LYS 26 2HE LYS 26 10.647 4.056 -5.237 206 HE3 LYS 26 1HE LYS 26 10.702 3.042 -3.794 207 HZ1 LYS 26 3HZ LYS 26 10.094 1.141 -5.163 208 HZ2 LYS 26 1HZ LYS 26 11.516 1.861 -5.727 209 HZ3 LYS 26 2HZ LYS 26 10.059 2.119 -6.543 210 H THR 27 H THR 27 5.655 4.176 -0.102 211 HA THR 27 HA THR 27 2.931 3.948 -0.010 212 HB THR 27 HB THR 27 4.526 6.129 1.377 213 HG1 THR 27 HG1 THR 27 5.429 4.375 2.201 214 HG21 THR 27 3HG2 THR 27 1.870 4.872 2.120 215 HG22 THR 27 1HG2 THR 27 2.107 6.518 1.527 216 HG23 THR 27 2HG2 THR 27 2.763 6.041 3.094 217 H ARG 28 H ARG 28 4.744 6.661 -1.344 218 HA ARG 28 HA ARG 28 2.672 8.523 -1.644 219 HE ARG 28 HE ARG 28 7.393 10.162 -0.345 220 HB2 ARG 28 2HB ARG 28 5.086 8.117 -3.427 221 HB3 ARG 28 1HB ARG 28 4.086 9.562 -3.369 222 HG2 ARG 28 2HG ARG 28 4.761 9.945 -1.049 223 HG3 ARG 28 1HG ARG 28 5.758 8.489 -1.094 224 HD2 ARG 28 2HD ARG 28 7.072 9.495 -2.935 225 HD3 ARG 28 1HD ARG 28 6.107 10.964 -2.793 226 HH11 ARG 28 1HH1 ARG 28 7.728 11.955 -3.263 227 HH12 ARG 28 2HH1 ARG 28 8.963 12.984 -2.627 228 HH21 ARG 28 1HH2 ARG 28 9.008 11.455 0.463 229 HH22 ARG 28 2HH2 ARG 28 9.672 12.711 -0.522 230 H ASP 29 H ASP 29 3.860 6.082 -3.972 231 HA ASP 29 HA ASP 29 2.139 6.632 -6.097 232 HB2 ASP 29 2HB ASP 29 4.096 5.118 -6.237 233 HB3 ASP 29 1HB ASP 29 3.244 3.931 -5.256 234 H ILE 30 H ILE 30 1.722 4.302 -3.440 235 HA ILE 30 HA ILE 30 -0.817 3.351 -4.117 236 HB ILE 30 HB ILE 30 0.334 3.679 -1.337 237 HG12 ILE 30 2HG1 ILE 30 0.470 1.308 -3.226 238 HG13 ILE 30 1HG1 ILE 30 1.807 2.396 -2.867 239 HG21 ILE 30 1HG2 ILE 30 -1.885 1.897 -2.353 240 HG22 ILE 30 2HG2 ILE 30 -2.051 3.266 -1.255 241 HG23 ILE 30 3HG2 ILE 30 -1.183 1.821 -0.736 242 HD11 ILE 30 3HD1 ILE 30 0.423 0.592 -0.893 243 HD12 ILE 30 1HD1 ILE 30 1.765 1.677 -0.535 244 HD13 ILE 30 2HD1 ILE 30 2.000 0.315 -1.632 245 H ALA 31 H ALA 31 0.077 6.028 -1.944 246 HA ALA 31 HA ALA 31 -2.482 6.777 -1.117 247 HB1 ALA 31 3HB ALA 31 -1.497 8.916 -0.508 248 HB2 ALA 31 1HB ALA 31 -0.093 8.580 -1.523 249 HB3 ALA 31 2HB ALA 31 -0.400 7.597 -0.091 250 H ASP 32 H ASP 32 -0.562 8.093 -3.821 251 HA ASP 32 HA ASP 32 -2.514 9.954 -4.666 252 HB2 ASP 32 2HB ASP 32 -0.061 10.029 -5.210 253 HB3 ASP 32 1HB ASP 32 -0.328 8.715 -6.352 254 H ALA 33 H ALA 33 -1.788 6.642 -5.742 255 HA ALA 33 HA ALA 33 -3.608 6.593 -7.916 256 HB1 ALA 33 3HB ALA 33 -2.501 4.284 -6.313 257 HB2 ALA 33 1HB ALA 33 -1.753 5.018 -7.732 258 HB3 ALA 33 2HB ALA 33 -3.287 4.165 -7.885 259 H ALA 34 H ALA 34 -3.966 5.663 -4.507 260 HA ALA 34 HA ALA 34 -6.658 4.664 -4.874 261 HB1 ALA 34 3HB ALA 34 -5.173 3.692 -3.190 262 HB2 ALA 34 1HB ALA 34 -6.643 4.333 -2.456 263 HB3 ALA 34 2HB ALA 34 -5.129 5.231 -2.331 264 H GLY 35 H GLY 35 -5.243 7.734 -4.247 265 HA2 GLY 35 2HA GLY 35 -6.301 9.813 -4.174 266 HA3 GLY 35 1HA GLY 35 -7.853 8.994 -4.083 267 H LEU 36 H LEU 36 -5.144 8.385 -1.930 268 HA LEU 36 HA LEU 36 -6.698 9.536 0.309 269 HG LEU 36 HG LEU 36 -7.026 6.517 -0.787 270 HB2 LEU 36 2HB LEU 36 -4.942 7.076 0.394 271 HB3 LEU 36 1HB LEU 36 -5.868 7.734 1.730 272 HD11 LEU 36 1HD1 LEU 36 -6.022 4.832 0.629 273 HD12 LEU 36 2HD1 LEU 36 -7.780 4.722 0.719 274 HD13 LEU 36 3HD1 LEU 36 -6.874 5.466 2.038 275 HD21 LEU 36 3HD2 LEU 36 -8.407 7.558 1.692 276 HD22 LEU 36 1HD2 LEU 36 -9.186 6.695 0.365 277 HD23 LEU 36 2HD2 LEU 36 -8.465 8.277 0.083 278 H SER 37 H SER 37 -5.374 10.153 2.208 279 HA SER 37 HA SER 37 -2.961 11.537 1.379 280 HG SER 37 HG SER 37 -5.611 12.703 2.809 281 HB2 SER 37 2HB SER 37 -4.390 11.445 4.052 282 HB3 SER 37 1HB SER 37 -2.976 12.443 3.713 283 H ILE 38 H ILE 38 -0.901 11.346 2.424 284 HA ILE 38 HA ILE 38 0.147 8.794 2.499 285 HB ILE 38 HB ILE 38 1.202 11.287 3.851 286 HG12 ILE 38 2HG1 ILE 38 0.933 11.427 1.385 287 HG13 ILE 38 1HG1 ILE 38 2.618 11.510 1.879 288 HG21 ILE 38 1HG2 ILE 38 2.252 9.382 4.898 289 HG22 ILE 38 2HG2 ILE 38 3.411 10.161 3.824 290 HG23 ILE 38 3HG2 ILE 38 2.615 8.669 3.325 291 HD11 ILE 38 3HD1 ILE 38 1.219 9.094 0.755 292 HD12 ILE 38 1HD1 ILE 38 2.906 9.158 1.266 293 HD13 ILE 38 2HD1 ILE 38 2.359 10.139 -0.094 294 H TYR 39 H TYR 39 -0.867 10.753 5.303 295 HA TYR 39 HA TYR 39 -0.015 9.031 7.334 296 HD1 TYR 39 HD1 TYR 39 0.330 10.220 9.765 297 HD2 TYR 39 HD2 TYR 39 -3.863 10.139 9.000 298 HE1 TYR 39 HE1 TYR 39 -0.091 9.720 12.135 299 HE2 TYR 39 HE2 TYR 39 -4.286 9.636 11.368 300 HH TYR 39 HH TYR 39 -1.888 9.943 13.772 301 HB2 TYR 39 2HB TYR 39 -0.745 11.344 7.720 302 HB3 TYR 39 1HB TYR 39 -2.399 10.902 7.316 303 H GLN 40 H GLN 40 -3.263 9.238 5.851 304 HA GLN 40 HA GLN 40 -4.470 7.138 7.251 305 HB2 GLN 40 2HB GLN 40 -5.665 8.799 5.840 306 HB3 GLN 40 1HB GLN 40 -5.025 8.014 4.405 307 HG2 GLN 40 2HG GLN 40 -7.297 7.316 4.746 308 HG3 GLN 40 1HG GLN 40 -6.229 5.946 5.042 309 HE21 GLN 40 1HE2 GLN 40 -8.328 8.300 6.499 310 HE22 GLN 40 2HE2 GLN 40 -8.524 7.482 8.007 311 H VAL 41 H VAL 41 -2.770 7.100 4.136 312 HA VAL 41 HA VAL 41 -3.124 4.373 3.551 313 HB VAL 41 HB VAL 41 -0.851 6.190 2.709 314 HG11 VAL 41 1HG1 VAL 41 -0.610 4.646 0.798 315 HG12 VAL 41 2HG1 VAL 41 -1.818 3.580 1.521 316 HG13 VAL 41 3HG1 VAL 41 -0.280 3.855 2.339 317 HG21 VAL 41 3HG2 VAL 41 -3.042 7.094 2.115 318 HG22 VAL 41 1HG2 VAL 41 -3.483 5.565 1.357 319 HG23 VAL 41 2HG2 VAL 41 -2.185 6.545 0.679 320 H ARG 42 H ARG 42 -0.492 6.036 5.304 321 HA ARG 42 HA ARG 42 1.210 3.875 5.749 322 HE ARG 42 HE ARG 42 4.150 5.996 8.180 323 HB2 ARG 42 2HB ARG 42 0.587 6.279 7.464 324 HB3 ARG 42 1HB ARG 42 1.806 5.097 7.917 325 HG2 ARG 42 2HG ARG 42 3.056 5.584 5.873 326 HG3 ARG 42 1HG ARG 42 1.824 6.758 5.395 327 HD2 ARG 42 2HD ARG 42 3.814 7.806 6.437 328 HD3 ARG 42 1HD ARG 42 2.320 8.133 7.318 329 HH11 ARG 42 1HH1 ARG 42 2.447 8.917 8.827 330 HH12 ARG 42 2HH1 ARG 42 2.821 8.888 10.515 331 HH21 ARG 42 1HH2 ARG 42 4.621 5.963 10.338 332 HH22 ARG 42 2HH2 ARG 42 4.039 7.229 11.362 333 H LEU 43 H LEU 43 -1.698 4.828 7.533 334 HA LEU 43 HA LEU 43 -1.476 2.961 9.639 335 HG LEU 43 HG LEU 43 -2.488 5.935 9.296 336 HB2 LEU 43 2HB LEU 43 -3.971 4.172 8.428 337 HB3 LEU 43 1HB LEU 43 -3.898 3.343 9.973 338 HD11 LEU 43 1HD1 LEU 43 -4.903 6.215 9.500 339 HD12 LEU 43 2HD1 LEU 43 -4.064 6.959 10.861 340 HD13 LEU 43 3HD1 LEU 43 -4.879 5.407 11.068 341 HD21 LEU 43 3HD2 LEU 43 -1.954 6.011 11.702 342 HD22 LEU 43 1HD2 LEU 43 -1.192 4.639 10.892 343 HD23 LEU 43 2HD2 LEU 43 -2.626 4.389 11.888 344 H TYR 44 H TYR 44 -3.387 2.798 6.613 345 HA TYR 44 HA TYR 44 -4.333 0.176 6.947 346 HD1 TYR 44 HD1 TYR 44 -6.556 -0.164 6.126 347 HD2 TYR 44 HD2 TYR 44 -5.388 3.561 4.415 348 HE1 TYR 44 HE1 TYR 44 -8.825 0.710 6.489 349 HE2 TYR 44 HE2 TYR 44 -7.656 4.442 4.785 350 HH TYR 44 HH TYR 44 -9.924 2.933 6.769 351 HB2 TYR 44 2HB TYR 44 -3.845 1.827 4.468 352 HB3 TYR 44 1HB TYR 44 -4.508 0.198 4.389 353 H LEU 45 H LEU 45 -1.447 1.292 5.149 354 HA LEU 45 HA LEU 45 -0.567 -1.198 4.239 355 HG LEU 45 HG LEU 45 -0.502 1.762 3.188 356 HB2 LEU 45 2HB LEU 45 1.072 1.230 4.988 357 HB3 LEU 45 1HB LEU 45 1.679 -0.140 4.074 358 HD11 LEU 45 1HD1 LEU 45 1.119 2.466 1.493 359 HD12 LEU 45 2HD1 LEU 45 2.331 1.404 2.211 360 HD13 LEU 45 3HD1 LEU 45 1.704 2.776 3.129 361 HD21 LEU 45 3HD2 LEU 45 -0.915 -0.494 2.353 362 HD22 LEU 45 1HD2 LEU 45 0.736 -0.579 1.735 363 HD23 LEU 45 2HD2 LEU 45 -0.405 0.575 1.048 364 H GLU 46 H GLU 46 0.238 0.494 7.266 365 HA GLU 46 HA GLU 46 2.035 -1.385 8.315 366 HB2 GLU 46 2HB GLU 46 1.648 0.884 9.256 367 HB3 GLU 46 1HB GLU 46 0.078 0.352 9.845 368 HG2 GLU 46 2HG GLU 46 1.211 -1.328 11.258 369 HG3 GLU 46 1HG GLU 46 2.767 -0.711 10.706 370 H GLN 47 H GLN 47 -1.488 -1.099 8.846 371 HA GLN 47 HA GLN 47 -1.902 -3.387 10.375 372 HB2 GLN 47 2HB GLN 47 -3.708 -2.124 8.294 373 HB3 GLN 47 1HB GLN 47 -4.232 -3.342 9.450 374 HG2 GLN 47 2HG GLN 47 -3.806 -1.855 11.294 375 HG3 GLN 47 1HG GLN 47 -3.089 -0.659 10.216 376 HE21 GLN 47 1HE2 GLN 47 -4.552 0.928 10.842 377 HE22 GLN 47 2HE2 GLN 47 -6.210 0.902 10.351 378 H LEU 48 H LEU 48 -1.838 -3.046 6.835 379 HA LEU 48 HA LEU 48 -2.428 -5.702 6.172 380 HG LEU 48 HG LEU 48 -3.178 -3.066 4.866 381 HB2 LEU 48 2HB LEU 48 -0.782 -3.642 4.706 382 HB3 LEU 48 1HB LEU 48 -1.208 -5.201 4.022 383 HD11 LEU 48 1HD1 LEU 48 -3.603 -2.792 2.475 384 HD12 LEU 48 2HD1 LEU 48 -2.333 -3.960 2.107 385 HD13 LEU 48 3HD1 LEU 48 -1.924 -2.424 2.873 386 HD21 LEU 48 3HD2 LEU 48 -3.627 -5.726 3.499 387 HD22 LEU 48 1HD2 LEU 48 -4.854 -4.486 3.764 388 HD23 LEU 48 2HD2 LEU 48 -4.111 -5.295 5.141 389 H HIS 49 H HIS 49 0.617 -4.253 7.195 390 HA HIS 49 HA HIS 49 2.203 -6.562 6.597 391 HD1 HIS 49 HD1 HIS 49 4.708 -6.952 6.664 392 HD2 HIS 49 HD2 HIS 49 4.724 -4.804 10.224 393 HE1 HIS 49 HE1 HIS 49 6.721 -7.753 7.930 394 HE2 HIS 49 HE2 HIS 49 6.801 -6.323 9.990 395 HB2 HIS 49 2HB HIS 49 3.291 -4.404 6.875 396 HB3 HIS 49 1HB HIS 49 2.696 -4.277 8.526 397 H ASP 50 H ASP 50 0.610 -5.379 9.555 398 HA ASP 50 HA ASP 50 1.519 -7.521 11.199 399 HB2 ASP 50 2HB ASP 50 -0.752 -5.565 11.592 400 HB3 ASP 50 1HB ASP 50 -0.169 -6.678 12.828 401 H VAL 51 H VAL 51 -1.073 -7.346 8.926 402 HA VAL 51 HA VAL 51 -2.354 -9.724 10.083 403 HB VAL 51 HB VAL 51 -4.140 -9.424 8.450 404 HG11 VAL 51 1HG1 VAL 51 -3.448 -6.850 9.870 405 HG12 VAL 51 2HG1 VAL 51 -4.301 -8.229 10.568 406 HG13 VAL 51 3HG1 VAL 51 -5.046 -7.299 9.267 407 HG21 VAL 51 3HG2 VAL 51 -2.829 -8.555 6.581 408 HG22 VAL 51 1HG2 VAL 51 -2.561 -7.046 7.455 409 HG23 VAL 51 2HG2 VAL 51 -4.190 -7.493 6.939 410 H GLY 52 H GLY 52 0.228 -9.232 8.156 411 HA2 GLY 52 2HA GLY 52 1.492 -10.917 7.153 412 HA3 GLY 52 1HA GLY 52 0.097 -11.975 7.223 413 H VAL 53 H VAL 53 -0.028 -8.809 5.689 414 HA VAL 53 HA VAL 53 -0.316 -10.137 3.068 415 HB VAL 53 HB VAL 53 -1.189 -7.358 3.912 416 HG11 VAL 53 1HG1 VAL 53 -1.628 -8.809 1.297 417 HG12 VAL 53 2HG1 VAL 53 -0.586 -7.408 1.547 418 HG13 VAL 53 3HG1 VAL 53 -2.332 -7.253 1.740 419 HG21 VAL 53 3HG2 VAL 53 -3.455 -8.203 3.776 420 HG22 VAL 53 1HG2 VAL 53 -2.524 -9.186 4.905 421 HG23 VAL 53 2HG2 VAL 53 -2.869 -9.792 3.287 422 H LEU 54 H LEU 54 1.112 -7.158 4.467 423 HA LEU 54 HA LEU 54 2.846 -6.917 2.108 424 HG LEU 54 HG LEU 54 0.347 -5.107 2.753 425 HB2 LEU 54 2HB LEU 54 2.214 -4.942 4.300 426 HB3 LEU 54 1HB LEU 54 3.326 -4.631 2.979 427 HD11 LEU 54 1HD1 LEU 54 0.281 -2.803 1.958 428 HD12 LEU 54 2HD1 LEU 54 2.021 -2.654 2.209 429 HD13 LEU 54 3HD1 LEU 54 0.947 -2.894 3.588 430 HD21 LEU 54 3HD2 LEU 54 2.387 -4.647 0.569 431 HD22 LEU 54 1HD2 LEU 54 0.637 -4.635 0.348 432 HD23 LEU 54 2HD2 LEU 54 1.451 -6.118 0.841 433 H GLU 55 H GLU 55 5.062 -6.092 2.455 434 HA GLU 55 HA GLU 55 6.383 -7.402 4.743 435 HB2 GLU 55 2HB GLU 55 6.568 -8.764 2.684 436 HB3 GLU 55 1HB GLU 55 7.283 -7.395 1.848 437 HG2 GLU 55 2HG GLU 55 8.969 -9.014 2.508 438 HG3 GLU 55 1HG GLU 55 9.212 -7.469 3.324 439 H LYS 56 H LYS 56 8.412 -6.473 5.388 440 HA LYS 56 HA LYS 56 8.292 -3.589 5.295 441 HB2 LYS 56 2HB LYS 56 10.103 -3.712 6.985 442 HB3 LYS 56 1HB LYS 56 8.707 -4.694 7.411 443 HG2 LYS 56 2HG LYS 56 9.881 -6.702 6.636 444 HG3 LYS 56 1HG LYS 56 11.277 -5.719 6.200 445 HD2 LYS 56 2HD LYS 56 11.569 -5.083 8.552 446 HD3 LYS 56 1HD LYS 56 10.157 -6.048 8.992 447 HE2 LYS 56 2HE LYS 56 11.292 -8.072 8.181 448 HE3 LYS 56 1HE LYS 56 12.698 -7.105 7.740 449 HZ1 LYS 56 3HZ LYS 56 13.006 -6.541 10.059 450 HZ2 LYS 56 1HZ LYS 56 12.994 -8.220 9.861 451 HZ3 LYS 56 2HZ LYS 56 11.637 -7.437 10.492 452 H VAL 57 H VAL 57 9.441 -2.253 3.992 453 HA VAL 57 HA VAL 57 12.207 -2.998 3.325 454 HB VAL 57 HB VAL 57 10.351 -1.703 1.309 455 HG11 VAL 57 1HG1 VAL 57 13.211 -2.665 1.072 456 HG12 VAL 57 2HG1 VAL 57 12.659 -0.986 1.078 457 HG13 VAL 57 3HG1 VAL 57 12.223 -2.053 -0.257 458 HG21 VAL 57 3HG2 VAL 57 10.499 -3.796 0.041 459 HG22 VAL 57 1HG2 VAL 57 9.742 -4.051 1.613 460 HG23 VAL 57 2HG2 VAL 57 11.419 -4.530 1.355 461 H ASN 58 H ASN 58 13.445 -1.512 4.272 462 HA ASN 58 HA ASN 58 14.343 0.459 4.933 463 HB2 ASN 58 2HB ASN 58 14.445 0.858 2.539 464 HB3 ASN 58 1HB ASN 58 12.801 1.489 2.546 465 HD21 ASN 58 1HD2 ASN 58 12.421 3.534 3.368 466 HD22 ASN 58 2HD2 ASN 58 13.697 4.672 3.635 467 H ALA 59 H ALA 59 13.325 0.594 6.938 468 HA ALA 59 HA ALA 59 11.313 2.736 7.145 469 HB1 ALA 59 3HB ALA 59 11.180 0.099 8.612 470 HB2 ALA 59 1HB ALA 59 10.094 0.635 7.329 471 HB3 ALA 59 2HB ALA 59 10.111 1.475 8.881 472 H GLY 60 H GLY 60 11.324 3.896 9.147 473 HA2 GLY 60 2HA GLY 60 12.363 3.811 11.484 474 HA3 GLY 60 1HA GLY 60 13.882 3.668 10.614 475 H LYS 61 H LYS 61 14.863 5.500 9.843 476 HA LYS 61 HA LYS 61 13.632 8.030 10.712 477 HB2 LYS 61 2HB LYS 61 15.845 8.943 10.989 478 HB3 LYS 61 1HB LYS 61 15.757 7.410 11.837 479 HG2 LYS 61 2HG LYS 61 17.012 7.778 9.114 480 HG3 LYS 61 1HG LYS 61 17.902 7.810 10.633 481 HD2 LYS 61 2HD LYS 61 16.289 5.462 9.613 482 HD3 LYS 61 1HD LYS 61 18.038 5.624 9.478 483 HE2 LYS 61 2HE LYS 61 16.479 5.522 12.068 484 HE3 LYS 61 1HE LYS 61 17.376 4.180 11.361 485 HZ1 LYS 61 3HZ LYS 61 18.540 6.753 12.281 486 HZ2 LYS 61 1HZ LYS 61 19.406 5.480 11.586 487 HZ3 LYS 61 2HZ LYS 61 18.647 5.273 13.082 488 H GLY 62 H GLY 62 13.084 9.528 9.275 489 HA2 GLY 62 2HA GLY 62 12.763 10.613 7.281 490 HA3 GLY 62 1HA GLY 62 14.476 10.336 7.018 491 H VAL 63 H VAL 63 11.633 8.169 7.085 492 HA VAL 63 HA VAL 63 12.517 7.097 4.478 493 HB VAL 63 HB VAL 63 11.562 4.924 5.139 494 HG11 VAL 63 1HG1 VAL 63 13.286 4.288 6.748 495 HG12 VAL 63 2HG1 VAL 63 13.567 5.984 7.137 496 HG13 VAL 63 3HG1 VAL 63 13.941 5.375 5.525 497 HG21 VAL 63 3HG2 VAL 63 11.114 6.208 7.844 498 HG22 VAL 63 1HG2 VAL 63 10.884 4.503 7.460 499 HG23 VAL 63 2HG2 VAL 63 9.852 5.723 6.711 500 HA PRO 64 HA PRO 64 8.349 8.066 3.086 501 HB2 PRO 64 2HB PRO 64 8.509 7.098 0.599 502 HB3 PRO 64 1HB PRO 64 9.475 8.495 1.088 503 HG2 PRO 64 2HG PRO 64 10.298 5.620 0.844 504 HG3 PRO 64 1HG PRO 64 11.157 7.076 0.304 505 HD2 PRO 64 2HD PRO 64 11.694 5.747 2.664 506 HD3 PRO 64 1HD PRO 64 12.046 7.464 2.390 507 H GLY 65 H GLY 65 9.496 5.003 3.834 508 HA2 GLY 65 2HA GLY 65 8.401 3.038 4.344 509 HA3 GLY 65 1HA GLY 65 6.886 3.837 3.955 510 H LEU 66 H LEU 66 9.280 1.614 2.886 511 HA LEU 66 HA LEU 66 8.005 1.439 0.227 512 HG LEU 66 HG LEU 66 10.903 2.662 1.086 513 HB2 LEU 66 2HB LEU 66 10.627 0.229 1.123 514 HB3 LEU 66 1HB LEU 66 9.993 0.262 -0.511 515 HD11 LEU 66 1HD1 LEU 66 12.751 1.266 0.319 516 HD12 LEU 66 2HD1 LEU 66 12.704 2.794 -0.556 517 HD13 LEU 66 3HD1 LEU 66 12.122 1.320 -1.328 518 HD21 LEU 66 3HD2 LEU 66 9.835 2.483 -1.731 519 HD22 LEU 66 1HD2 LEU 66 10.563 3.916 -1.004 520 HD23 LEU 66 2HD2 LEU 66 9.056 3.268 -0.357 521 H TRP 67 H TRP 67 6.930 -0.418 -0.362 522 HA TRP 67 HA TRP 67 6.729 -2.505 1.720 523 HD1 TRP 67 HD1 TRP 67 4.808 1.182 0.848 524 HE1 TRP 67 HE1 TRP 67 4.513 2.414 3.083 525 HE3 TRP 67 HE3 TRP 67 4.539 -2.866 3.974 526 HZ2 TRP 67 HZ2 TRP 67 4.196 1.758 5.815 527 HZ3 TRP 67 HZ3 TRP 67 4.234 -2.474 6.383 528 HH2 TRP 67 HH2 TRP 67 4.067 -0.208 7.286 529 HB2 TRP 67 2HB TRP 67 4.415 -1.368 0.131 530 HB3 TRP 67 1HB TRP 67 4.322 -2.569 1.419 531 H ARG 68 H ARG 68 6.808 -4.548 1.095 532 HA ARG 68 HA ARG 68 6.275 -5.256 -1.734 533 HE ARG 68 HE ARG 68 9.552 -8.252 -2.017 534 HB2 ARG 68 2HB ARG 68 7.981 -6.612 0.369 535 HB3 ARG 68 1HB ARG 68 7.534 -7.394 -1.141 536 HG2 ARG 68 2HG ARG 68 8.773 -5.823 -2.425 537 HG3 ARG 68 1HG ARG 68 9.006 -4.767 -1.030 538 HD2 ARG 68 2HD ARG 68 11.024 -6.091 -1.619 539 HD3 ARG 68 1HD ARG 68 10.449 -6.379 0.023 540 HH11 ARG 68 1HH1 ARG 68 11.742 -7.563 0.557 541 HH12 ARG 68 2HH1 ARG 68 12.193 -9.215 0.752 542 HH21 ARG 68 1HH2 ARG 68 10.137 -10.367 -1.740 543 HH22 ARG 68 2HH2 ARG 68 11.314 -10.783 -0.542 544 H LEU 69 H LEU 69 5.399 -7.705 -1.802 545 HA LEU 69 HA LEU 69 3.539 -8.075 0.458 546 HG LEU 69 HG LEU 69 3.658 -7.779 -3.239 547 HB2 LEU 69 2HB LEU 69 1.836 -8.955 -1.147 548 HB3 LEU 69 1HB LEU 69 2.140 -7.235 -1.236 549 HD11 LEU 69 1HD1 LEU 69 3.069 -9.826 -4.473 550 HD12 LEU 69 2HD1 LEU 69 2.119 -10.370 -3.092 551 HD13 LEU 69 3HD1 LEU 69 3.864 -10.172 -2.938 552 HD21 LEU 69 3HD2 LEU 69 1.767 -7.757 -4.773 553 HD22 LEU 69 1HD2 LEU 69 1.488 -6.667 -3.415 554 HD23 LEU 69 2HD2 LEU 69 0.683 -8.237 -3.465 555 H LEU 70 H LEU 70 3.008 -10.173 1.072 556 HA LEU 70 HA LEU 70 4.511 -12.338 -0.269 557 HG LEU 70 HG LEU 70 2.702 -12.198 3.010 558 HB2 LEU 70 2HB LEU 70 4.669 -13.506 1.880 559 HB3 LEU 70 1HB LEU 70 5.495 -11.963 1.908 560 HD11 LEU 70 1HD1 LEU 70 5.251 -12.800 4.515 561 HD12 LEU 70 2HD1 LEU 70 4.012 -13.975 4.077 562 HD13 LEU 70 3HD1 LEU 70 3.635 -12.681 5.213 563 HD21 LEU 70 3HD2 LEU 70 5.046 -10.403 3.678 564 HD22 LEU 70 1HD2 LEU 70 3.447 -10.336 4.419 565 HD23 LEU 70 2HD2 LEU 70 3.642 -9.954 2.712 566 H GLU 71 H GLU 71 1.506 -11.102 0.408 567 HA GLU 71 HA GLU 71 -0.597 -11.793 -0.061 568 HB2 GLU 71 2HB GLU 71 0.763 -14.257 -1.169 569 HB3 GLU 71 1HB GLU 71 -0.934 -13.852 -1.396 570 HG2 GLU 71 2HG GLU 71 -0.252 -11.772 -2.540 571 HG3 GLU 71 1HG GLU 71 1.434 -12.264 -2.379
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