NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
524287 | 2ll8 | 18032 | cing | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 HT1 MET 1 -19.230 4.700 -0.314 2 H2 MET 1 HT2 MET 1 -18.526 6.220 -0.117 3 H3 MET 1 HT3 MET 1 -17.834 4.876 0.626 4 HA MET 1 HA MET 1 -17.258 3.933 -1.471 5 HB2 MET 1 HB2 MET 1 -18.568 6.438 -2.610 6 HB3 MET 1 HB1 MET 1 -17.532 5.377 -3.550 7 HG2 MET 1 HG2 MET 1 -19.111 3.528 -3.222 8 HG3 MET 1 HG1 MET 1 -20.165 4.592 -2.285 9 HE1 MET 1 HE1 MET 1 -22.151 4.152 -5.679 10 HE2 MET 1 HE2 MET 1 -22.193 3.935 -3.925 11 HE3 MET 1 HE3 MET 1 -21.139 2.919 -4.917 12 H THR 2 HN THR 2 -15.204 4.081 -0.867 13 HA THR 2 HA THR 2 -13.627 6.416 -1.557 14 HB THR 2 HB THR 2 -14.245 6.956 0.762 15 HG1 THR 2 HG1 THR 2 -12.242 7.652 0.399 16 HG21 THR 2 HG21 THR 2 -14.710 4.712 1.672 17 HG22 THR 2 HG22 THR 2 -13.559 5.587 2.687 18 HG23 THR 2 HG23 THR 2 -12.987 4.319 1.599 19 H SER 3 HN SER 3 -11.967 5.603 -2.698 20 HA SER 3 HA SER 3 -11.328 2.762 -2.645 21 HB2 SER 3 HB2 SER 3 -10.130 5.006 -4.333 22 HB3 SER 3 HB1 SER 3 -9.945 3.272 -4.620 23 HG SER 3 HG SER 3 -12.247 4.881 -4.867 24 H THR 4 HN THR 4 -8.849 2.250 -2.890 25 HA THR 4 HA THR 4 -7.492 2.647 -0.491 26 HB THR 4 HB THR 4 -6.224 2.013 -3.202 27 HG1 THR 4 HG1 THR 4 -7.379 0.265 -1.259 28 HG21 THR 4 HG21 THR 4 -5.293 1.301 -0.390 29 HG22 THR 4 HG22 THR 4 -4.540 2.491 -1.452 30 HG23 THR 4 HG23 THR 4 -4.524 0.787 -1.896 31 H PHE 5 HN PHE 5 -7.158 4.356 -3.607 32 HA PHE 5 HA PHE 5 -5.099 6.149 -3.024 33 HB2 PHE 5 HB2 PHE 5 -5.744 6.095 -5.308 34 HB3 PHE 5 HB1 PHE 5 -7.455 6.245 -4.932 35 HD1 PHE 5 HD1 PHE 5 -4.279 8.246 -4.537 36 HD2 PHE 5 HD2 PHE 5 -8.476 8.324 -5.381 37 HE1 PHE 5 HE1 PHE 5 -4.187 10.675 -4.842 38 HE2 PHE 5 HE2 PHE 5 -8.354 10.755 -5.699 39 HZ PHE 5 HZ PHE 5 -6.217 11.928 -5.417 40 H ASP 6 HN ASP 6 -8.594 6.472 -2.496 41 HA ASP 6 HA ASP 6 -8.586 9.175 -1.616 42 HB2 ASP 6 HB2 ASP 6 -10.653 6.986 -1.141 43 HB3 ASP 6 HB1 ASP 6 -10.912 8.707 -0.843 44 H ARG 7 HN ARG 7 -8.426 6.059 0.087 45 HA ARG 7 HA ARG 7 -8.484 6.955 2.753 46 HB2 ARG 7 HB2 ARG 7 -7.001 4.564 1.575 47 HB3 ARG 7 HB1 ARG 7 -7.257 4.832 3.298 48 HG2 ARG 7 HG2 ARG 7 -9.457 4.397 1.253 49 HG3 ARG 7 HG1 ARG 7 -8.805 3.157 2.320 50 HD2 ARG 7 HD2 ARG 7 -10.838 3.875 3.331 51 HD3 ARG 7 HD1 ARG 7 -9.566 4.636 4.282 52 HE ARG 7 HE ARG 7 -10.920 6.127 2.129 53 HH11 ARG 7 HH11 ARG 7 -10.112 5.894 5.528 54 HH12 ARG 7 HH12 ARG 7 -10.884 7.392 5.930 55 HH21 ARG 7 HH21 ARG 7 -11.873 8.076 2.634 56 HH22 ARG 7 HH22 ARG 7 -11.883 8.650 4.269 57 H VAL 8 HN VAL 8 -5.740 6.294 0.599 58 HA VAL 8 HA VAL 8 -3.597 7.112 2.180 59 HB VAL 8 HB VAL 8 -3.962 7.155 -0.855 60 HG11 VAL 8 HG11 VAL 8 -1.482 7.298 -1.061 61 HG12 VAL 8 HG12 VAL 8 -1.357 7.534 0.682 62 HG13 VAL 8 HG13 VAL 8 -2.155 8.750 -0.314 63 HG21 VAL 8 HG21 VAL 8 -2.631 5.079 -0.809 64 HG22 VAL 8 HG22 VAL 8 -4.078 4.916 0.191 65 HG23 VAL 8 HG23 VAL 8 -2.503 5.183 0.949 66 H ALA 9 HN ALA 9 -5.617 8.985 -0.029 67 HA ALA 9 HA ALA 9 -4.216 11.424 0.028 68 HB1 ALA 9 HB1 ALA 9 -7.128 10.895 -0.658 69 HB2 ALA 9 HB2 ALA 9 -5.769 10.787 -1.778 70 HB3 ALA 9 HB3 ALA 9 -6.207 12.346 -1.079 71 H THR 10 HN THR 10 -7.008 10.222 1.880 72 HA THR 10 HA THR 10 -7.477 12.474 3.504 73 HB THR 10 HB THR 10 -7.860 9.536 4.260 74 HG1 THR 10 HG1 THR 10 -8.990 10.389 2.327 75 HG21 THR 10 HG21 THR 10 -9.576 10.363 5.834 76 HG22 THR 10 HG22 THR 10 -9.164 12.029 5.420 77 HG23 THR 10 HG23 THR 10 -7.982 11.006 6.244 78 H ILE 11 HN ILE 11 -5.367 9.650 3.967 79 HA ILE 11 HA ILE 11 -4.295 10.289 6.490 80 HB ILE 11 HB ILE 11 -3.327 8.524 4.205 81 HG12 ILE 11 HG12 ILE 11 -4.461 7.785 6.935 82 HG13 ILE 11 HG11 ILE 11 -5.410 7.861 5.456 83 HG21 ILE 11 HG21 ILE 11 -1.296 9.182 5.379 84 HG22 ILE 11 HG22 ILE 11 -1.672 7.495 5.739 85 HG23 ILE 11 HG23 ILE 11 -2.017 8.751 6.931 86 HD11 ILE 11 HD11 ILE 11 -4.859 5.579 6.032 87 HD12 ILE 11 HD12 ILE 11 -3.139 5.954 6.017 88 HD13 ILE 11 HD13 ILE 11 -4.069 6.025 4.519 89 H ILE 12 HN ILE 12 -3.339 11.298 3.216 90 HA ILE 12 HA ILE 12 -0.816 12.456 3.894 91 HB ILE 12 HB ILE 12 -2.677 12.952 1.518 92 HG12 ILE 12 HG12 ILE 12 -0.095 11.322 1.677 93 HG13 ILE 12 HG11 ILE 12 -1.712 10.640 1.618 94 HG21 ILE 12 HG21 ILE 12 -1.247 14.918 1.843 95 HG22 ILE 12 HG22 ILE 12 -0.767 14.045 0.388 96 HG23 ILE 12 HG23 ILE 12 0.188 13.893 1.866 97 HD11 ILE 12 HD11 ILE 12 -0.638 10.492 -0.537 98 HD12 ILE 12 HD12 ILE 12 -0.373 12.233 -0.564 99 HD13 ILE 12 HD13 ILE 12 -2.016 11.591 -0.633 100 H ALA 13 HN ALA 13 -4.119 13.726 3.483 101 HA ALA 13 HA ALA 13 -3.693 16.406 4.173 102 HB1 ALA 13 HB1 ALA 13 -6.118 16.494 4.604 103 HB2 ALA 13 HB2 ALA 13 -6.189 14.729 4.620 104 HB3 ALA 13 HB3 ALA 13 -5.769 15.583 3.133 105 H GLU 14 HN GLU 14 -4.380 13.580 6.293 106 HA GLU 14 HA GLU 14 -4.663 14.964 8.733 107 HB2 GLU 14 HB2 GLU 14 -3.741 12.106 8.191 108 HB3 GLU 14 HB1 GLU 14 -4.176 12.719 9.782 109 HG2 GLU 14 HG2 GLU 14 -6.052 12.512 7.409 110 HG3 GLU 14 HG1 GLU 14 -5.954 11.347 8.723 111 H THR 15 HN THR 15 -1.846 13.522 7.117 112 HA THR 15 HA THR 15 -0.150 13.793 9.446 113 HB THR 15 HB THR 15 0.427 12.729 6.647 114 HG1 THR 15 HG1 THR 15 -0.681 11.095 7.418 115 HG21 THR 15 HG21 THR 15 2.408 11.656 7.665 116 HG22 THR 15 HG22 THR 15 2.083 12.488 9.186 117 HG23 THR 15 HG23 THR 15 2.526 13.415 7.749 118 H CYS 16 HN CYS 16 -0.057 15.132 6.056 119 HA CYS 16 HA CYS 16 2.177 16.892 6.874 120 HB2 CYS 16 HB2 CYS 16 1.546 15.699 4.136 121 HB3 CYS 16 HB1 CYS 16 2.878 16.810 4.484 122 HG CYS 16 HG CYS 16 3.471 14.625 6.631 123 H ASP 17 HN ASP 17 -1.035 17.010 6.438 124 HA ASP 17 HA ASP 17 -2.649 18.414 5.752 125 HB2 ASP 17 HB2 ASP 17 -1.670 19.728 7.587 126 HB3 ASP 17 HB1 ASP 17 -0.528 20.474 6.473 127 H ILE 18 HN ILE 18 -2.222 17.451 3.583 128 HA ILE 18 HA ILE 18 -1.644 19.552 1.571 129 HB ILE 18 HB ILE 18 -1.577 16.518 1.220 130 HG12 ILE 18 HG12 ILE 18 0.347 17.313 2.578 131 HG13 ILE 18 HG11 ILE 18 0.873 16.714 1.012 132 HG21 ILE 18 HG21 ILE 18 -0.834 18.688 -0.773 133 HG22 ILE 18 HG22 ILE 18 -2.240 17.627 -0.861 134 HG23 ILE 18 HG23 ILE 18 -0.617 16.953 -1.018 135 HD11 ILE 18 HD11 ILE 18 0.593 19.626 1.772 136 HD12 ILE 18 HD12 ILE 18 1.151 19.003 0.215 137 HD13 ILE 18 HD13 ILE 18 2.093 18.703 1.674 138 HA PRO 19 HA PRO 19 -6.100 19.619 1.323 139 HB2 PRO 19 HB2 PRO 19 -5.766 20.951 -1.349 140 HB3 PRO 19 HB1 PRO 19 -6.571 21.545 0.112 141 HG2 PRO 19 HG2 PRO 19 -4.206 22.540 -0.637 142 HG3 PRO 19 HG1 PRO 19 -4.572 22.269 1.080 143 HD2 PRO 19 HD2 PRO 19 -2.937 20.543 -0.796 144 HD3 PRO 19 HD1 PRO 19 -2.568 21.059 0.865 145 H ARG 20 HN ARG 20 -7.439 18.047 0.770 146 HA ARG 20 HA ARG 20 -6.892 15.874 -0.842 147 HB2 ARG 20 HB2 ARG 20 -8.600 15.836 0.937 148 HB3 ARG 20 HB1 ARG 20 -9.603 16.962 0.033 149 HG2 ARG 20 HG2 ARG 20 -10.469 14.660 -0.117 150 HG3 ARG 20 HG1 ARG 20 -10.003 15.280 -1.705 151 HD2 ARG 20 HD2 ARG 20 -7.808 14.054 -1.447 152 HD3 ARG 20 HD1 ARG 20 -8.450 13.331 0.028 153 HE ARG 20 HE ARG 20 -9.898 12.022 -1.233 154 HH11 ARG 20 HH11 ARG 20 -8.109 14.159 -3.386 155 HH12 ARG 20 HH12 ARG 20 -8.510 13.242 -4.799 156 HH21 ARG 20 HH21 ARG 20 -10.423 10.863 -3.078 157 HH22 ARG 20 HH22 ARG 20 -9.825 11.368 -4.622 158 H GLU 21 HN GLU 21 -8.468 18.914 -1.745 159 HA GLU 21 HA GLU 21 -9.545 18.170 -4.249 160 HB2 GLU 21 HB2 GLU 21 -9.561 20.657 -4.664 161 HB3 GLU 21 HB1 GLU 21 -10.301 20.180 -3.138 162 HG2 GLU 21 HG2 GLU 21 -8.390 20.912 -1.875 163 HG3 GLU 21 HG1 GLU 21 -7.437 21.163 -3.336 164 H THR 22 HN THR 22 -6.360 19.333 -3.246 165 HA THR 22 HA THR 22 -5.365 19.496 -6.005 166 HB THR 22 HB THR 22 -3.309 20.468 -4.925 167 HG1 THR 22 HG1 THR 22 -3.614 19.414 -2.869 168 HG21 THR 22 HG21 THR 22 -4.300 22.617 -4.223 169 HG22 THR 22 HG22 THR 22 -5.889 21.858 -4.106 170 HG23 THR 22 HG23 THR 22 -5.097 22.005 -5.677 171 H ILE 23 HN ILE 23 -5.965 16.923 -4.313 172 HA ILE 23 HA ILE 23 -3.389 15.545 -4.806 173 HB ILE 23 HB ILE 23 -5.699 14.820 -2.921 174 HG12 ILE 23 HG12 ILE 23 -2.789 15.510 -2.293 175 HG13 ILE 23 HG11 ILE 23 -4.164 16.576 -2.036 176 HG21 ILE 23 HG21 ILE 23 -3.176 13.220 -3.480 177 HG22 ILE 23 HG22 ILE 23 -4.811 12.768 -3.955 178 HG23 ILE 23 HG23 ILE 23 -4.384 12.840 -2.249 179 HD11 ILE 23 HD11 ILE 23 -3.443 15.570 0.038 180 HD12 ILE 23 HD12 ILE 23 -3.663 13.953 -0.627 181 HD13 ILE 23 HD13 ILE 23 -5.062 15.003 -0.378 182 H THR 24 HN THR 24 -3.602 14.907 -6.921 183 HA THR 24 HA THR 24 -6.076 13.634 -7.911 184 HB THR 24 HB THR 24 -4.936 13.702 -10.157 185 HG1 THR 24 HG1 THR 24 -2.909 15.217 -8.873 186 HG21 THR 24 HG21 THR 24 -4.944 16.400 -8.747 187 HG22 THR 24 HG22 THR 24 -6.346 15.631 -9.492 188 HG23 THR 24 HG23 THR 24 -4.991 16.152 -10.493 189 HA PRO 25 HA PRO 25 -4.419 9.465 -7.482 190 HB2 PRO 25 HB2 PRO 25 -5.252 8.234 -9.835 191 HB3 PRO 25 HB1 PRO 25 -6.308 8.521 -8.445 192 HG2 PRO 25 HG2 PRO 25 -5.983 10.175 -10.950 193 HG3 PRO 25 HG1 PRO 25 -7.480 9.678 -10.131 194 HD2 PRO 25 HD2 PRO 25 -6.505 12.153 -9.796 195 HD3 PRO 25 HD1 PRO 25 -7.225 11.284 -8.421 196 H GLU 26 HN GLU 26 -3.662 11.348 -10.355 197 HA GLU 26 HA GLU 26 -1.383 9.615 -11.070 198 HB2 GLU 26 HB2 GLU 26 -2.610 11.934 -12.624 199 HB3 GLU 26 HB1 GLU 26 -1.395 10.797 -13.216 200 HG2 GLU 26 HG2 GLU 26 -3.059 8.944 -12.902 201 HG3 GLU 26 HG1 GLU 26 -4.268 10.148 -12.469 202 H SER 27 HN SER 27 -1.635 11.660 -8.794 203 HA SER 27 HA SER 27 0.382 13.680 -9.405 204 HB2 SER 27 HB2 SER 27 -1.459 14.351 -7.950 205 HB3 SER 27 HB1 SER 27 -1.133 13.027 -6.839 206 HG SER 27 HG SER 27 -0.037 15.469 -6.925 207 H HIS 28 HN HIS 28 2.465 13.661 -8.623 208 HA HIS 28 HA HIS 28 3.510 11.182 -7.466 209 HB2 HIS 28 HB2 HIS 28 4.610 12.421 -9.444 210 HB3 HIS 28 HB1 HIS 28 5.076 13.670 -8.294 211 HD2 HIS 28 HD2 HIS 28 6.193 10.211 -9.518 212 HE1 HIS 28 HE1 HIS 28 8.716 11.325 -6.321 213 HE2 HIS 28 HE2 HIS 28 8.456 9.838 -8.344 214 H ALA 29 HN ALA 29 3.520 11.076 -5.247 215 HA ALA 29 HA ALA 29 2.754 13.013 -3.476 216 HB1 ALA 29 HB1 ALA 29 4.577 10.658 -2.906 217 HB2 ALA 29 HB2 ALA 29 2.814 10.603 -2.992 218 HB3 ALA 29 HB3 ALA 29 3.606 11.533 -1.719 219 H ILE 30 HN ILE 30 6.025 12.538 -4.767 220 HA ILE 30 HA ILE 30 7.180 14.173 -2.597 221 HB ILE 30 HB ILE 30 8.567 12.398 -4.659 222 HG12 ILE 30 HG12 ILE 30 8.073 12.061 -1.662 223 HG13 ILE 30 HG11 ILE 30 7.424 11.060 -2.957 224 HG21 ILE 30 HG21 ILE 30 9.833 13.999 -2.401 225 HG22 ILE 30 HG22 ILE 30 10.020 14.314 -4.126 226 HG23 ILE 30 HG23 ILE 30 10.672 12.833 -3.429 227 HD11 ILE 30 HD11 ILE 30 9.177 9.904 -1.774 228 HD12 ILE 30 HD12 ILE 30 10.308 11.220 -2.080 229 HD13 ILE 30 HD13 ILE 30 9.705 10.244 -3.422 230 H ASP 31 HN ASP 31 6.901 13.989 -6.147 231 HA ASP 31 HA ASP 31 8.482 16.395 -6.567 232 HB2 ASP 31 HB2 ASP 31 8.693 14.526 -8.172 233 HB3 ASP 31 HB1 ASP 31 6.975 14.634 -8.557 234 H ASP 32 HN ASP 32 5.076 15.406 -6.985 235 HA ASP 32 HA ASP 32 4.312 18.023 -8.015 236 HB2 ASP 32 HB2 ASP 32 3.391 15.938 -9.040 237 HB3 ASP 32 HB1 ASP 32 2.600 15.543 -7.519 238 H LEU 33 HN LEU 33 3.375 15.945 -5.213 239 HA LEU 33 HA LEU 33 1.770 18.017 -3.985 240 HB2 LEU 33 HB2 LEU 33 2.779 15.398 -2.818 241 HB3 LEU 33 HB1 LEU 33 1.623 16.465 -2.033 242 HG LEU 33 HG LEU 33 1.186 14.850 -4.574 243 HD11 LEU 33 HD11 LEU 33 -0.094 14.649 -1.830 244 HD12 LEU 33 HD12 LEU 33 1.088 13.538 -2.527 245 HD13 LEU 33 HD13 LEU 33 -0.513 13.681 -3.248 246 HD21 LEU 33 HD21 LEU 33 -1.137 15.713 -4.566 247 HD22 LEU 33 HD22 LEU 33 0.046 16.983 -4.856 248 HD23 LEU 33 HD23 LEU 33 -0.712 16.836 -3.267 249 H GLY 34 HN GLY 34 5.111 17.380 -4.051 250 HA2 GLY 34 HA2 GLY 34 6.931 18.293 -3.001 251 HA3 GLY 34 HA1 GLY 34 5.851 19.551 -2.417 252 H ILE 35 HN ILE 35 6.008 16.049 -1.772 253 HA ILE 35 HA ILE 35 6.240 16.572 1.148 254 HB ILE 35 HB ILE 35 5.228 14.102 -0.351 255 HG12 ILE 35 HG12 ILE 35 3.615 16.050 1.354 256 HG13 ILE 35 HG11 ILE 35 3.697 16.132 -0.403 257 HG21 ILE 35 HG21 ILE 35 5.294 14.589 2.650 258 HG22 ILE 35 HG22 ILE 35 6.296 13.439 1.761 259 HG23 ILE 35 HG23 ILE 35 4.550 13.204 1.850 260 HD11 ILE 35 HD11 ILE 35 2.665 13.908 -0.545 261 HD12 ILE 35 HD12 ILE 35 1.662 15.064 0.332 262 HD13 ILE 35 HD13 ILE 35 2.578 13.851 1.219 263 H ASP 36 HN ASP 36 8.218 16.049 2.048 264 HA ASP 36 HA ASP 36 10.329 14.867 0.482 265 HB2 ASP 36 HB2 ASP 36 10.704 16.595 2.275 266 HB3 ASP 36 HB1 ASP 36 10.226 15.412 3.484 267 H SER 37 HN SER 37 11.473 12.851 1.122 268 HA SER 37 HA SER 37 9.740 10.638 1.253 269 HB2 SER 37 HB2 SER 37 11.881 9.309 1.491 270 HB3 SER 37 HB1 SER 37 11.862 10.440 0.135 271 H LEU 38 HN LEU 38 11.431 12.366 3.806 272 HA LEU 38 HA LEU 38 11.050 10.483 5.927 273 HB2 LEU 38 HB2 LEU 38 11.431 13.501 6.087 274 HB3 LEU 38 HB1 LEU 38 11.543 12.386 7.447 275 HG LEU 38 HG LEU 38 13.430 12.519 5.061 276 HD11 LEU 38 HD11 LEU 38 15.110 13.231 6.709 277 HD12 LEU 38 HD12 LEU 38 13.883 13.229 7.979 278 HD13 LEU 38 HD13 LEU 38 13.759 14.356 6.623 279 HD21 LEU 38 HD21 LEU 38 13.518 10.626 7.437 280 HD22 LEU 38 HD22 LEU 38 14.768 10.791 6.198 281 HD23 LEU 38 HD23 LEU 38 13.172 10.188 5.758 282 H ASP 39 HN ASP 39 9.281 13.393 4.895 283 HA ASP 39 HA ASP 39 7.104 13.256 6.716 284 HB2 ASP 39 HB2 ASP 39 7.252 14.465 3.911 285 HB3 ASP 39 HB1 ASP 39 5.941 14.755 5.059 286 H PHE 40 HN PHE 40 7.820 11.678 3.689 287 HA PHE 40 HA PHE 40 5.202 10.621 3.175 288 HB2 PHE 40 HB2 PHE 40 6.874 11.072 1.356 289 HB3 PHE 40 HB1 PHE 40 7.908 9.803 2.004 290 HD1 PHE 40 HD1 PHE 40 4.594 10.456 0.426 291 HD2 PHE 40 HD2 PHE 40 7.515 7.498 1.434 292 HE1 PHE 40 HE1 PHE 40 3.392 8.797 -0.927 293 HE2 PHE 40 HE2 PHE 40 6.309 5.848 0.071 294 HZ PHE 40 HZ PHE 40 4.247 6.493 -1.109 295 H LEU 41 HN LEU 41 8.086 9.597 4.981 296 HA LEU 41 HA LEU 41 7.389 6.891 5.452 297 HB2 LEU 41 HB2 LEU 41 8.875 8.830 7.274 298 HB3 LEU 41 HB1 LEU 41 8.701 7.114 7.611 299 HG LEU 41 HG LEU 41 10.237 8.360 5.310 300 HD11 LEU 41 HD11 LEU 41 12.207 7.365 6.383 301 HD12 LEU 41 HD12 LEU 41 11.203 6.772 7.708 302 HD13 LEU 41 HD13 LEU 41 11.399 8.508 7.455 303 HD21 LEU 41 HD21 LEU 41 9.751 5.418 5.888 304 HD22 LEU 41 HD22 LEU 41 10.883 6.051 4.692 305 HD23 LEU 41 HD23 LEU 41 9.156 6.335 4.500 306 H ASP 42 HN ASP 42 6.614 9.888 7.246 307 HA ASP 42 HA ASP 42 5.023 8.765 9.282 308 HB2 ASP 42 HB2 ASP 42 4.954 11.532 8.019 309 HB3 ASP 42 HB1 ASP 42 3.977 11.101 9.417 310 H ILE 43 HN ILE 43 4.141 9.944 6.053 311 HA ILE 43 HA ILE 43 1.356 9.413 6.207 312 HB ILE 43 HB ILE 43 3.189 9.526 3.770 313 HG12 ILE 43 HG12 ILE 43 1.315 11.627 4.951 314 HG13 ILE 43 HG11 ILE 43 3.072 11.642 5.070 315 HG21 ILE 43 HG21 ILE 43 1.140 9.843 2.398 316 HG22 ILE 43 HG22 ILE 43 0.142 9.549 3.822 317 HG23 ILE 43 HG23 ILE 43 1.161 8.261 3.178 318 HD11 ILE 43 HD11 ILE 43 2.290 13.205 3.407 319 HD12 ILE 43 HD12 ILE 43 1.459 11.917 2.537 320 HD13 ILE 43 HD13 ILE 43 3.222 11.918 2.642 321 H ALA 44 HN ALA 44 4.149 7.345 5.324 322 HA ALA 44 HA ALA 44 2.524 5.338 4.012 323 HB1 ALA 44 HB1 ALA 44 4.673 4.188 3.630 324 HB2 ALA 44 HB2 ALA 44 5.493 5.360 4.670 325 HB3 ALA 44 HB3 ALA 44 4.766 5.884 3.152 326 H PHE 45 HN PHE 45 4.054 5.818 7.130 327 HA PHE 45 HA PHE 45 3.594 3.179 8.175 328 HB2 PHE 45 HB2 PHE 45 4.455 5.801 9.446 329 HB3 PHE 45 HB1 PHE 45 4.015 4.431 10.453 330 HD1 PHE 45 HD1 PHE 45 5.206 2.130 9.719 331 HD2 PHE 45 HD2 PHE 45 6.763 6.046 8.984 332 HE1 PHE 45 HE1 PHE 45 7.481 1.204 9.563 333 HE2 PHE 45 HE2 PHE 45 9.029 5.111 8.820 334 HZ PHE 45 HZ PHE 45 9.391 2.691 9.111 335 H ALA 46 HN ALA 46 1.880 6.272 8.135 336 HA ALA 46 HA ALA 46 -0.244 5.497 9.886 337 HB1 ALA 46 HB1 ALA 46 -0.205 7.619 7.719 338 HB2 ALA 46 HB2 ALA 46 0.247 7.851 9.410 339 HB3 ALA 46 HB3 ALA 46 -1.427 7.467 8.987 340 H ILE 47 HN ILE 47 0.240 5.307 6.377 341 HA ILE 47 HA ILE 47 -2.207 4.086 5.609 342 HB ILE 47 HB ILE 47 0.589 3.975 4.387 343 HG12 ILE 47 HG12 ILE 47 -1.865 5.500 3.415 344 HG13 ILE 47 HG11 ILE 47 -0.580 6.214 4.385 345 HG21 ILE 47 HG21 ILE 47 -0.401 3.078 2.323 346 HG22 ILE 47 HG22 ILE 47 -1.965 2.938 3.120 347 HG23 ILE 47 HG23 ILE 47 -0.604 1.959 3.669 348 HD11 ILE 47 HD11 ILE 47 -0.266 5.063 1.604 349 HD12 ILE 47 HD12 ILE 47 1.022 5.784 2.576 350 HD13 ILE 47 HD13 ILE 47 -0.336 6.772 2.038 351 H ASP 48 HN ASP 48 0.939 2.803 6.525 352 HA ASP 48 HA ASP 48 0.745 0.113 6.029 353 HB2 ASP 48 HB2 ASP 48 2.780 1.403 6.686 354 HB3 ASP 48 HB1 ASP 48 2.155 1.548 8.318 355 H LYS 49 HN LYS 49 0.083 1.790 9.058 356 HA LYS 49 HA LYS 49 -0.877 -0.489 10.487 357 HB2 LYS 49 HB2 LYS 49 -1.027 2.485 11.110 358 HB3 LYS 49 HB1 LYS 49 -1.384 1.197 12.262 359 HG2 LYS 49 HG2 LYS 49 0.931 0.429 12.199 360 HG3 LYS 49 HG1 LYS 49 1.308 1.564 10.901 361 HD2 LYS 49 HD2 LYS 49 2.166 2.426 13.011 362 HD3 LYS 49 HD1 LYS 49 0.860 3.462 12.435 363 HE2 LYS 49 HE2 LYS 49 -0.696 2.377 14.032 364 HE3 LYS 49 HE1 LYS 49 0.612 1.336 14.600 365 HZ1 LYS 49 HZ1 LYS 49 0.243 3.232 16.057 366 HZ2 LYS 49 HZ2 LYS 49 0.576 4.298 14.789 367 HZ3 LYS 49 HZ3 LYS 49 1.789 3.277 15.379 368 H ALA 50 HN ALA 50 -2.445 2.203 8.747 369 HA ALA 50 HA ALA 50 -5.089 1.856 9.544 370 HB1 ALA 50 HB1 ALA 50 -4.322 3.807 8.252 371 HB2 ALA 50 HB2 ALA 50 -5.724 3.053 7.488 372 HB3 ALA 50 HB3 ALA 50 -4.106 2.788 6.825 373 H PHE 51 HN PHE 51 -3.535 0.514 6.617 374 HA PHE 51 HA PHE 51 -5.791 -1.170 5.944 375 HB2 PHE 51 HB2 PHE 51 -3.013 -0.918 4.723 376 HB3 PHE 51 HB1 PHE 51 -4.263 -1.975 4.082 377 HD1 PHE 51 HD2 PHE 51 -3.385 1.595 4.678 378 HD2 PHE 51 HD1 PHE 51 -6.002 -1.119 2.669 379 HE1 PHE 51 HE2 PHE 51 -4.221 3.438 3.287 380 HE2 PHE 51 HE1 PHE 51 -6.840 0.733 1.291 381 HZ PHE 51 HZ PHE 51 -5.950 3.006 1.591 382 H GLY 52 HN GLY 52 -3.336 -1.523 8.206 383 HA2 GLY 52 HA2 GLY 52 -2.526 -3.241 9.451 384 HA3 GLY 52 HA1 GLY 52 -3.822 -4.234 8.798 385 H ILE 53 HN ILE 53 -1.345 -2.707 6.805 386 HA ILE 53 HA ILE 53 -0.245 -5.378 6.115 387 HB ILE 53 HB ILE 53 0.315 -4.315 3.843 388 HG12 ILE 53 HG12 ILE 53 -1.382 -2.409 3.181 389 HG13 ILE 53 HG11 ILE 53 -1.500 -2.102 4.907 390 HG21 ILE 53 HG21 ILE 53 -1.932 -4.718 2.935 391 HG22 ILE 53 HG22 ILE 53 -2.608 -4.655 4.564 392 HG23 ILE 53 HG23 ILE 53 -1.475 -5.936 4.125 393 HD11 ILE 53 HD11 ILE 53 0.863 -1.560 4.974 394 HD12 ILE 53 HD12 ILE 53 -0.008 -0.573 3.800 395 HD13 ILE 53 HD13 ILE 53 0.996 -1.913 3.248 396 H LYS 54 HN LYS 54 1.969 -4.706 4.705 397 HA LYS 54 HA LYS 54 3.568 -2.857 6.337 398 HB2 LYS 54 HB2 LYS 54 3.998 -5.102 7.258 399 HB3 LYS 54 HB1 LYS 54 4.396 -5.708 5.657 400 HG2 LYS 54 HG2 LYS 54 6.416 -5.316 7.008 401 HG3 LYS 54 HG1 LYS 54 6.391 -4.308 5.566 402 HD2 LYS 54 HD2 LYS 54 7.238 -3.019 7.438 403 HD3 LYS 54 HD1 LYS 54 5.680 -2.363 6.950 404 HE2 LYS 54 HE2 LYS 54 6.033 -4.267 9.285 405 HE3 LYS 54 HE1 LYS 54 6.090 -2.516 9.450 406 HZ1 LYS 54 HZ1 LYS 54 3.824 -2.475 8.475 407 HZ2 LYS 54 HZ2 LYS 54 3.928 -3.227 9.983 408 HZ3 LYS 54 HZ3 LYS 54 3.790 -4.162 8.591 409 H LEU 55 HN LEU 55 4.100 -1.312 4.887 410 HA LEU 55 HA LEU 55 4.737 -1.895 2.136 411 HB2 LEU 55 HB2 LEU 55 5.072 0.684 3.733 412 HB3 LEU 55 HB1 LEU 55 5.184 0.532 1.984 413 HG LEU 55 HG LEU 55 2.648 0.130 3.640 414 HD11 LEU 55 HD11 LEU 55 3.293 2.485 3.555 415 HD12 LEU 55 HD12 LEU 55 1.841 2.204 2.596 416 HD13 LEU 55 HD13 LEU 55 3.400 2.420 1.792 417 HD21 LEU 55 HD21 LEU 55 2.977 0.075 0.617 418 HD22 LEU 55 HD22 LEU 55 1.453 -0.029 1.498 419 HD23 LEU 55 HD23 LEU 55 2.642 -1.315 1.650 420 HA PRO 56 HA PRO 56 9.193 -2.281 3.210 421 HB2 PRO 56 HB2 PRO 56 9.700 -3.077 0.444 422 HB3 PRO 56 HB1 PRO 56 9.767 -4.077 1.899 423 HG2 PRO 56 HG2 PRO 56 7.864 -4.363 -0.085 424 HG3 PRO 56 HG1 PRO 56 7.637 -4.878 1.595 425 HD2 PRO 56 HD2 PRO 56 6.648 -2.379 0.234 426 HD3 PRO 56 HD1 PRO 56 5.825 -3.438 1.404 427 H LEU 57 HN LEU 57 8.734 0.138 3.287 428 HA LEU 57 HA LEU 57 8.823 1.786 0.991 429 HB2 LEU 57 HB2 LEU 57 8.301 2.168 3.744 430 HB3 LEU 57 HB1 LEU 57 9.707 3.154 3.472 431 HG LEU 57 HG LEU 57 7.603 4.452 3.241 432 HD11 LEU 57 HD11 LEU 57 8.118 5.588 1.139 433 HD12 LEU 57 HD12 LEU 57 9.137 4.239 0.633 434 HD13 LEU 57 HD13 LEU 57 9.585 5.211 2.036 435 HD21 LEU 57 HD21 LEU 57 6.083 4.094 1.357 436 HD22 LEU 57 HD22 LEU 57 6.148 2.662 2.376 437 HD23 LEU 57 HD23 LEU 57 7.010 2.684 0.836 438 H GLU 58 HN GLU 58 11.272 0.733 3.264 439 HA GLU 58 HA GLU 58 13.406 2.385 2.412 440 HB2 GLU 58 HB2 GLU 58 13.116 0.968 4.576 441 HB3 GLU 58 HB1 GLU 58 13.720 -0.389 3.636 442 HG2 GLU 58 HG2 GLU 58 15.204 2.212 4.050 443 HG3 GLU 58 HG1 GLU 58 15.391 0.808 5.093 444 H LYS 59 HN LYS 59 12.332 -0.844 1.496 445 HA LYS 59 HA LYS 59 14.299 -1.481 -0.413 446 HB2 LYS 59 HB2 LYS 59 12.688 -3.114 0.550 447 HB3 LYS 59 HB1 LYS 59 11.378 -2.345 -0.332 448 HG2 LYS 59 HG2 LYS 59 12.455 -3.002 -2.481 449 HG3 LYS 59 HG1 LYS 59 13.746 -3.800 -1.575 450 HD2 LYS 59 HD2 LYS 59 10.790 -4.552 -1.557 451 HD3 LYS 59 HD1 LYS 59 12.092 -5.452 -2.338 452 HE2 LYS 59 HE2 LYS 59 13.103 -5.908 -0.121 453 HE3 LYS 59 HE1 LYS 59 11.809 -5.000 0.659 454 HZ1 LYS 59 HZ1 LYS 59 11.367 -7.320 0.791 455 HZ2 LYS 59 HZ2 LYS 59 11.532 -7.509 -0.878 456 HZ3 LYS 59 HZ3 LYS 59 10.238 -6.621 -0.259 457 H TRP 60 HN TRP 60 11.097 0.031 -0.775 458 HA TRP 60 HA TRP 60 11.061 0.301 -3.569 459 HB2 TRP 60 HB2 TRP 60 9.616 1.891 -1.404 460 HB3 TRP 60 HB1 TRP 60 9.286 2.077 -3.124 461 HD1 TRP 60 HD1 TRP 60 9.778 -1.495 -2.860 462 HE1 TRP 60 HE1 TRP 60 7.562 -2.732 -2.528 463 HE3 TRP 60 HE3 TRP 60 6.828 2.461 -1.498 464 HZ2 TRP 60 HZ2 TRP 60 4.923 -2.138 -1.795 465 HZ3 TRP 60 HZ3 TRP 60 4.458 2.032 -1.003 466 HH2 TRP 60 HH2 TRP 60 3.528 -0.222 -1.150 467 H THR 61 HN THR 61 12.205 2.460 -1.030 468 HA THR 61 HA THR 61 12.755 4.697 -2.733 469 HB THR 61 HB THR 61 13.611 4.166 0.148 470 HG1 THR 61 HG1 THR 61 11.289 4.294 -0.420 471 HG21 THR 61 HG21 THR 61 15.014 5.942 -0.856 472 HG22 THR 61 HG22 THR 61 13.897 6.625 0.330 473 HG23 THR 61 HG23 THR 61 13.563 6.793 -1.396 474 H GLN 62 HN GLN 62 14.605 1.858 -1.623 475 HA GLN 62 HA GLN 62 17.181 3.017 -2.287 476 HB2 GLN 62 HB2 GLN 62 18.194 1.033 -1.513 477 HB3 GLN 62 HB1 GLN 62 16.763 1.150 -0.499 478 HG2 GLN 62 HG2 GLN 62 15.649 -0.501 -2.049 479 HG3 GLN 62 HG1 GLN 62 17.193 -0.693 -2.868 480 HE21 GLN 62 HE21 GLN 62 16.723 -0.333 0.627 481 HE22 GLN 62 HE22 GLN 62 17.278 -1.917 1.033 482 H GLU 63 HN GLU 63 14.764 0.903 -3.778 483 HA GLU 63 HA GLU 63 16.198 0.175 -6.124 484 HB2 GLU 63 HB2 GLU 63 13.200 0.432 -5.623 485 HB3 GLU 63 HB1 GLU 63 13.896 -0.293 -7.073 486 HG2 GLU 63 HG2 GLU 63 14.834 -2.110 -5.805 487 HG3 GLU 63 HG1 GLU 63 14.405 -1.343 -4.275 488 H VAL 64 HN VAL 64 13.921 2.770 -5.398 489 HA VAL 64 HA VAL 64 13.805 4.092 -7.844 490 HB VAL 64 HB VAL 64 13.362 4.936 -4.969 491 HG11 VAL 64 HG11 VAL 64 14.280 6.980 -5.940 492 HG12 VAL 64 HG12 VAL 64 12.545 7.169 -5.693 493 HG13 VAL 64 HG13 VAL 64 13.171 6.860 -7.314 494 HG21 VAL 64 HG21 VAL 64 11.627 3.593 -6.082 495 HG22 VAL 64 HG22 VAL 64 11.514 4.777 -7.389 496 HG23 VAL 64 HG23 VAL 64 11.017 5.212 -5.749 497 H ASN 65 HN ASN 65 15.977 4.863 -5.070 498 HA ASN 65 HA ASN 65 17.498 6.762 -6.635 499 HB2 ASN 65 HB2 ASN 65 17.812 5.772 -3.768 500 HB3 ASN 65 HB1 ASN 65 18.919 6.928 -4.507 501 HD21 ASN 65 HD21 ASN 65 15.706 6.460 -3.241 502 HD22 ASN 65 HD22 ASN 65 15.240 8.121 -3.243 503 H ASP 66 HN ASP 66 17.732 3.345 -6.395 504 HA ASP 66 HA ASP 66 20.591 3.306 -7.072 505 HB2 ASP 66 HB2 ASP 66 19.448 1.552 -5.585 506 HB3 ASP 66 HB1 ASP 66 18.646 0.952 -7.027 507 H GLY 67 HN GLY 67 17.788 3.994 -8.713 508 HA2 GLY 67 HA2 GLY 67 17.159 4.028 -10.914 509 HA3 GLY 67 HA1 GLY 67 18.777 3.496 -11.336 510 H LYS 68 HN LYS 68 17.176 1.353 -9.173 511 HA LYS 68 HA LYS 68 16.806 -0.729 -11.120 512 HB2 LYS 68 HB2 LYS 68 15.745 -0.503 -8.273 513 HB3 LYS 68 HB1 LYS 68 15.686 -1.965 -9.245 514 HG2 LYS 68 HG2 LYS 68 18.322 -0.645 -8.539 515 HG3 LYS 68 HG1 LYS 68 17.509 -1.733 -7.422 516 HD2 LYS 68 HD2 LYS 68 19.102 -3.084 -8.546 517 HD3 LYS 68 HD1 LYS 68 17.557 -3.492 -9.286 518 HE2 LYS 68 HE2 LYS 68 18.113 -2.025 -11.209 519 HE3 LYS 68 HE1 LYS 68 19.668 -1.646 -10.464 520 HZ1 LYS 68 HZ1 LYS 68 18.760 -4.345 -11.290 521 HZ2 LYS 68 HZ2 LYS 68 20.264 -3.966 -10.620 522 HZ3 LYS 68 HZ3 LYS 68 19.844 -3.368 -12.143 523 H ALA 69 HN ALA 69 14.695 1.589 -9.519 524 HA ALA 69 HA ALA 69 12.485 1.013 -11.401 525 HB1 ALA 69 HB1 ALA 69 10.872 1.386 -9.554 526 HB2 ALA 69 HB2 ALA 69 12.208 1.556 -8.405 527 HB3 ALA 69 HB3 ALA 69 11.922 0.012 -9.209 528 H THR 70 HN THR 70 11.345 2.841 -12.055 529 HA THR 70 HA THR 70 12.479 5.438 -11.754 530 HB THR 70 HB THR 70 9.662 4.772 -12.761 531 HG1 THR 70 HG1 THR 70 10.629 3.640 -14.250 532 HG21 THR 70 HG21 THR 70 11.609 6.980 -13.570 533 HG22 THR 70 HG22 THR 70 10.176 7.198 -12.559 534 HG23 THR 70 HG23 THR 70 9.997 6.720 -14.250 535 H THR 71 HN THR 71 11.516 7.248 -10.639 536 HA THR 71 HA THR 71 10.777 6.818 -7.977 537 HB THR 71 HB THR 71 10.209 9.262 -7.900 538 HG1 THR 71 HG1 THR 71 10.651 10.326 -10.089 539 HG21 THR 71 HG21 THR 71 12.593 8.674 -7.760 540 HG22 THR 71 HG22 THR 71 12.396 10.171 -8.671 541 HG23 THR 71 HG23 THR 71 12.711 8.657 -9.519 542 H GLU 72 HN GLU 72 8.718 8.054 -10.601 543 HA GLU 72 HA GLU 72 6.242 8.133 -9.502 544 HB2 GLU 72 HB2 GLU 72 5.374 7.945 -11.836 545 HB3 GLU 72 HB1 GLU 72 6.759 9.026 -11.690 546 HG2 GLU 72 HG2 GLU 72 8.233 7.207 -12.516 547 HG3 GLU 72 HG1 GLU 72 6.818 6.181 -12.740 548 H GLN 73 HN GLN 73 7.865 5.183 -10.482 549 HA GLN 73 HA GLN 73 5.674 3.462 -10.862 550 HB2 GLN 73 HB2 GLN 73 8.021 2.861 -11.452 551 HB3 GLN 73 HB1 GLN 73 8.395 2.679 -9.740 552 HG2 GLN 73 HG2 GLN 73 6.619 0.868 -9.639 553 HG3 GLN 73 HG1 GLN 73 6.483 0.994 -11.391 554 HE21 GLN 73 HE21 GLN 73 8.494 -0.009 -8.744 555 HE22 GLN 73 HE22 GLN 73 9.580 -0.980 -9.663 556 H TYR 74 HN TYR 74 7.205 4.538 -7.891 557 HA TYR 74 HA TYR 74 5.311 2.935 -6.264 558 HB2 TYR 74 HB2 TYR 74 8.020 4.102 -5.499 559 HB3 TYR 74 HB1 TYR 74 6.933 3.294 -4.374 560 HD1 TYR 74 HD2 TYR 74 6.064 0.870 -5.486 561 HD2 TYR 74 HD1 TYR 74 9.852 2.747 -6.116 562 HE1 TYR 74 HE2 TYR 74 7.062 -1.316 -6.010 563 HE2 TYR 74 HE1 TYR 74 10.850 0.566 -6.638 564 HH TYR 74 HH TYR 74 10.406 -1.827 -6.173 565 H PHE 75 HN PHE 75 6.368 6.217 -7.045 566 HA PHE 75 HA PHE 75 5.086 7.279 -4.611 567 HB2 PHE 75 HB2 PHE 75 7.168 8.508 -6.451 568 HB3 PHE 75 HB1 PHE 75 6.457 9.331 -5.067 569 HD1 PHE 75 HD2 PHE 75 6.504 7.453 -2.886 570 HD2 PHE 75 HD1 PHE 75 9.413 7.983 -5.977 571 HE1 PHE 75 HE2 PHE 75 8.253 6.555 -1.405 572 HE2 PHE 75 HE1 PHE 75 11.148 7.097 -4.484 573 HZ PHE 75 HZ PHE 75 10.577 6.371 -2.202 574 H VAL 76 HN VAL 76 4.039 6.760 -7.695 575 HA VAL 76 HA VAL 76 2.471 9.280 -7.763 576 HB VAL 76 HB VAL 76 2.793 7.068 -9.837 577 HG11 VAL 76 HG11 VAL 76 0.610 9.193 -9.864 578 HG12 VAL 76 HG12 VAL 76 0.364 7.449 -9.728 579 HG13 VAL 76 HG13 VAL 76 1.020 8.131 -11.217 580 HG21 VAL 76 HG21 VAL 76 3.057 10.097 -10.018 581 HG22 VAL 76 HG22 VAL 76 3.365 8.951 -11.330 582 HG23 VAL 76 HG23 VAL 76 4.396 8.949 -9.897 583 H LEU 77 HN LEU 77 0.455 9.282 -7.010 584 HA LEU 77 HA LEU 77 -0.081 7.603 -4.900 585 HB2 LEU 77 HB2 LEU 77 -1.975 9.503 -6.304 586 HB3 LEU 77 HB1 LEU 77 -2.203 8.857 -4.682 587 HG LEU 77 HG LEU 77 0.115 10.642 -5.535 588 HD11 LEU 77 HD11 LEU 77 -2.315 11.329 -3.884 589 HD12 LEU 77 HD12 LEU 77 -1.973 11.865 -5.532 590 HD13 LEU 77 HD13 LEU 77 -0.936 12.382 -4.208 591 HD21 LEU 77 HD21 LEU 77 0.666 10.780 -3.140 592 HD22 LEU 77 HD22 LEU 77 0.778 9.123 -3.724 593 HD23 LEU 77 HD23 LEU 77 -0.617 9.624 -2.764 594 H LYS 78 HN LYS 78 -1.404 7.281 -8.176 595 HA LYS 78 HA LYS 78 -3.384 5.296 -7.427 596 HB2 LYS 78 HB2 LYS 78 -3.692 4.930 -9.862 597 HB3 LYS 78 HB1 LYS 78 -3.751 6.640 -9.448 598 HG2 LYS 78 HG2 LYS 78 -1.448 6.936 -10.257 599 HG3 LYS 78 HG1 LYS 78 -1.352 5.218 -10.647 600 HD2 LYS 78 HD2 LYS 78 -3.163 5.505 -12.316 601 HD3 LYS 78 HD1 LYS 78 -3.246 7.229 -11.930 602 HE2 LYS 78 HE2 LYS 78 -0.923 7.523 -12.714 603 HE3 LYS 78 HE1 LYS 78 -0.806 5.793 -13.050 604 HZ1 LYS 78 HZ1 LYS 78 -2.689 7.665 -14.374 605 HZ2 LYS 78 HZ2 LYS 78 -2.492 6.024 -14.721 606 HZ3 LYS 78 HZ3 LYS 78 -1.235 7.108 -15.029 607 H ASN 79 HN ASN 79 -0.071 5.248 -8.649 608 HA ASN 79 HA ASN 79 0.195 2.405 -8.948 609 HB2 ASN 79 HB2 ASN 79 2.353 4.535 -8.582 610 HB3 ASN 79 HB1 ASN 79 2.672 2.852 -8.997 611 HD21 ASN 79 HD21 ASN 79 3.603 3.201 -10.962 612 HD22 ASN 79 HD22 ASN 79 2.778 3.888 -12.316 613 H LEU 80 HN LEU 80 0.951 4.729 -6.415 614 HA LEU 80 HA LEU 80 2.103 3.086 -4.474 615 HB2 LEU 80 HB2 LEU 80 2.203 5.554 -4.371 616 HB3 LEU 80 HB1 LEU 80 0.458 5.639 -4.182 617 HG LEU 80 HG LEU 80 0.677 4.474 -1.961 618 HD11 LEU 80 HD11 LEU 80 2.778 3.277 -2.300 619 HD12 LEU 80 HD12 LEU 80 2.857 4.288 -0.860 620 HD13 LEU 80 HD13 LEU 80 3.668 4.804 -2.341 621 HD21 LEU 80 HD21 LEU 80 0.472 6.907 -2.045 622 HD22 LEU 80 HD22 LEU 80 2.226 7.074 -2.192 623 HD23 LEU 80 HD23 LEU 80 1.519 6.414 -0.712 624 H ALA 81 HN ALA 81 -1.269 4.163 -4.982 625 HA ALA 81 HA ALA 81 -2.486 2.722 -2.877 626 HB1 ALA 81 HB1 ALA 81 -4.610 3.154 -4.046 627 HB2 ALA 81 HB2 ALA 81 -3.719 3.635 -5.496 628 HB3 ALA 81 HB3 ALA 81 -3.592 4.598 -4.024 629 H ALA 82 HN ALA 82 -1.633 1.820 -6.179 630 HA ALA 82 HA ALA 82 -2.995 -0.699 -6.201 631 HB1 ALA 82 HB1 ALA 82 -2.420 0.472 -8.282 632 HB2 ALA 82 HB2 ALA 82 -1.694 -1.138 -8.245 633 HB3 ALA 82 HB3 ALA 82 -0.700 0.290 -7.927 634 H ARG 83 HN ARG 83 0.267 0.401 -5.300 635 HA ARG 83 HA ARG 83 1.462 -2.152 -4.938 636 HB2 ARG 83 HB2 ARG 83 2.156 0.582 -3.789 637 HB3 ARG 83 HB1 ARG 83 3.097 -0.857 -3.422 638 HG2 ARG 83 HG2 ARG 83 2.767 0.454 -6.140 639 HG3 ARG 83 HG1 ARG 83 4.224 0.407 -5.141 640 HD2 ARG 83 HD2 ARG 83 2.894 -1.884 -6.619 641 HD3 ARG 83 HD1 ARG 83 4.518 -1.239 -6.861 642 HE ARG 83 HE ARG 83 5.014 -2.140 -4.544 643 HH11 ARG 83 HH11 ARG 83 2.661 -3.670 -6.643 644 HH12 ARG 83 HH12 ARG 83 2.741 -5.193 -5.821 645 HH21 ARG 83 HH21 ARG 83 5.088 -4.177 -3.479 646 HH22 ARG 83 HH22 ARG 83 4.076 -5.475 -4.031 647 H ILE 84 HN ILE 84 -0.180 0.074 -2.731 648 HA ILE 84 HA ILE 84 0.111 -1.346 -0.309 649 HB ILE 84 HB ILE 84 -2.078 0.590 -1.199 650 HG12 ILE 84 HG12 ILE 84 0.340 1.255 0.535 651 HG13 ILE 84 HG11 ILE 84 0.393 1.387 -1.216 652 HG21 ILE 84 HG21 ILE 84 -2.847 -0.682 0.761 653 HG22 ILE 84 HG22 ILE 84 -2.520 0.990 1.209 654 HG23 ILE 84 HG23 ILE 84 -1.365 -0.275 1.635 655 HD11 ILE 84 HD11 ILE 84 -1.495 2.895 0.579 656 HD12 ILE 84 HD12 ILE 84 -1.350 3.060 -1.176 657 HD13 ILE 84 HD13 ILE 84 -0.007 3.520 -0.129 658 H ASP 85 HN ASP 85 -2.521 -1.230 -2.708 659 HA ASP 85 HA ASP 85 -4.290 -3.092 -1.548 660 HB2 ASP 85 HB2 ASP 85 -4.928 -1.483 -3.327 661 HB3 ASP 85 HB1 ASP 85 -3.935 -2.352 -4.491 662 H GLU 86 HN GLU 86 -1.597 -3.509 -3.766 663 HA GLU 86 HA GLU 86 -1.874 -6.229 -4.412 664 HB2 GLU 86 HB2 GLU 86 -0.401 -4.266 -5.397 665 HB3 GLU 86 HB1 GLU 86 0.797 -4.791 -4.222 666 HG2 GLU 86 HG2 GLU 86 -0.427 -6.595 -6.311 667 HG3 GLU 86 HG1 GLU 86 1.016 -5.633 -6.601 668 H LEU 87 HN LEU 87 -0.380 -4.534 -1.727 669 HA LEU 87 HA LEU 87 0.726 -6.917 -0.488 670 HB2 LEU 87 HB2 LEU 87 0.585 -4.033 0.459 671 HB3 LEU 87 HB1 LEU 87 1.415 -5.326 1.319 672 HG LEU 87 HG LEU 87 2.150 -4.316 -1.464 673 HD11 LEU 87 HD11 LEU 87 2.703 -2.667 0.221 674 HD12 LEU 87 HD12 LEU 87 4.168 -3.405 -0.419 675 HD13 LEU 87 HD13 LEU 87 3.565 -3.877 1.174 676 HD21 LEU 87 HD21 LEU 87 4.149 -5.748 -1.274 677 HD22 LEU 87 HD22 LEU 87 2.668 -6.700 -1.238 678 HD23 LEU 87 HD23 LEU 87 3.551 -6.391 0.259 679 H VAL 88 HN VAL 88 -2.256 -5.044 -0.240 680 HA VAL 88 HA VAL 88 -3.222 -6.285 2.174 681 HB VAL 88 HB VAL 88 -4.828 -4.976 -0.082 682 HG11 VAL 88 HG11 VAL 88 -6.680 -4.791 1.583 683 HG12 VAL 88 HG12 VAL 88 -5.722 -5.709 2.745 684 HG13 VAL 88 HG13 VAL 88 -6.275 -6.480 1.256 685 HG21 VAL 88 HG21 VAL 88 -3.283 -3.367 1.000 686 HG22 VAL 88 HG22 VAL 88 -3.934 -3.791 2.581 687 HG23 VAL 88 HG23 VAL 88 -4.961 -2.984 1.394 688 H ALA 89 HN ALA 89 -3.285 -7.027 -1.245 689 HA ALA 89 HA ALA 89 -4.925 -9.363 -1.138 690 HB1 ALA 89 HB1 ALA 89 -4.567 -8.098 -3.215 691 HB2 ALA 89 HB2 ALA 89 -4.061 -9.773 -3.411 692 HB3 ALA 89 HB3 ALA 89 -2.851 -8.508 -3.192 693 H ALA 90 HN ALA 90 -1.428 -8.760 -1.063 694 HA ALA 90 HA ALA 90 -0.532 -11.421 -0.673 695 HB1 ALA 90 HB1 ALA 90 1.586 -10.375 0.013 696 HB2 ALA 90 HB2 ALA 90 0.782 -8.810 0.167 697 HB3 ALA 90 HB3 ALA 90 0.931 -9.576 -1.417 698 H LYS 91 HN LYS 91 -1.723 -8.952 1.563 699 HA LYS 91 HA LYS 91 -1.069 -10.169 4.040 700 HB2 LYS 91 HB2 LYS 91 -1.753 -7.848 3.987 701 HB3 LYS 91 HB1 LYS 91 -3.293 -8.252 3.247 702 HG2 LYS 91 HG2 LYS 91 -3.987 -9.395 5.347 703 HG3 LYS 91 HG1 LYS 91 -2.448 -8.930 6.080 704 HD2 LYS 91 HD2 LYS 91 -3.028 -6.553 5.855 705 HD3 LYS 91 HD1 LYS 91 -4.540 -6.970 5.034 706 HE2 LYS 91 HE2 LYS 91 -4.873 -6.391 7.435 707 HE3 LYS 91 HE1 LYS 91 -5.377 -8.041 7.072 708 HZ1 LYS 91 HZ1 LYS 91 -4.082 -7.798 9.145 709 HZ2 LYS 91 HZ2 LYS 91 -2.741 -7.336 8.227 710 HZ3 LYS 91 HZ3 LYS 91 -3.395 -8.882 8.046 711 H GLY 92 HN GLY 92 -3.804 -10.586 1.808 712 HA2 GLY 92 HA2 GLY 92 -5.160 -12.507 3.528 713 HA3 GLY 92 HA1 GLY 92 -5.627 -11.999 1.914 714 H ALA 93 HN ALA 93 -2.375 -12.742 1.895 715 HA ALA 93 HA ALA 93 -1.058 -14.312 1.042 716 HB1 ALA 93 HB1 ALA 93 -1.393 -16.634 1.726 717 HB2 ALA 93 HB2 ALA 93 -3.062 -16.279 2.188 718 HB3 ALA 93 HB3 ALA 93 -1.722 -15.536 3.065 719 H LEU 94 HN LEU 94 -3.692 -13.496 -0.537 720 HA LEU 94 HA LEU 94 -5.001 -14.135 -2.293 721 HB2 LEU 94 HB2 LEU 94 -2.188 -14.844 -3.187 722 HB3 LEU 94 HB1 LEU 94 -3.551 -14.888 -4.300 723 HG LEU 94 HG LEU 94 -2.676 -12.399 -2.765 724 HD11 LEU 94 HD11 LEU 94 -0.945 -12.996 -4.370 725 HD12 LEU 94 HD12 LEU 94 -1.799 -11.543 -4.886 726 HD13 LEU 94 HD13 LEU 94 -2.143 -13.092 -5.666 727 HD21 LEU 94 HD21 LEU 94 -4.178 -11.202 -4.323 728 HD22 LEU 94 HD22 LEU 94 -5.049 -12.351 -3.313 729 HD23 LEU 94 HD23 LEU 94 -4.706 -12.746 -5.001 730 H GLU 95 HN GLU 95 -4.993 -16.075 -4.176 731 HA GLU 95 HA GLU 95 -4.897 -18.719 -2.873 732 HB2 GLU 95 HB2 GLU 95 -7.077 -19.365 -3.727 733 HB3 GLU 95 HB1 GLU 95 -7.272 -17.886 -2.791 734 HG2 GLU 95 HG2 GLU 95 -7.061 -17.927 -5.824 735 HG3 GLU 95 HG1 GLU 95 -8.596 -18.044 -4.962 736 H HIS 96 HN HIS 96 -4.384 -16.692 -5.580 737 HA HIS 96 HA HIS 96 -3.636 -18.963 -7.327 738 HB2 HIS 96 HB2 HIS 96 -3.650 -17.399 -9.177 739 HB3 HIS 96 HB1 HIS 96 -5.141 -17.163 -8.275 740 HD1 HIS 96 HD1 HIS 96 -2.016 -15.441 -9.328 741 HD2 HIS 96 HD2 HIS 96 -5.294 -14.656 -6.900 742 HE1 HIS 96 HE1 HIS 96 -1.944 -12.966 -8.870 743 HE2 HIS 96 HE2 HIS 96 -3.954 -12.515 -7.423 744 H HIS 97 HN HIS 97 -2.209 -17.688 -4.899 745 HA HIS 97 HA HIS 97 -0.161 -17.225 -4.126 746 HB2 HIS 97 HB2 HIS 97 0.733 -18.243 -6.841 747 HB3 HIS 97 HB1 HIS 97 1.874 -17.742 -5.599 748 HD1 HIS 97 HD1 HIS 97 0.534 -20.690 -6.886 749 HD2 HIS 97 HD2 HIS 97 1.122 -19.290 -3.024 750 HE1 HIS 97 HE1 HIS 97 0.576 -22.736 -5.433 751 HE2 HIS 97 HE2 HIS 97 0.854 -21.856 -3.089 752 H HIS 98 HN HIS 98 1.819 -15.775 -4.437 753 HA HIS 98 HA HIS 98 0.792 -13.165 -5.050 754 HB2 HIS 98 HB2 HIS 98 2.327 -13.721 -3.109 755 HB3 HIS 98 HB1 HIS 98 3.638 -13.899 -4.265 756 HD1 HIS 98 HD1 HIS 98 4.990 -11.817 -4.573 757 HD2 HIS 98 HD2 HIS 98 1.133 -10.990 -3.289 758 HE1 HIS 98 HE1 HIS 98 4.915 -9.329 -4.239 759 HE2 HIS 98 HE2 HIS 98 2.511 -8.845 -3.673 760 H HIS 99 HN HIS 99 4.055 -14.247 -6.093 761 HA HIS 99 HA HIS 99 3.586 -13.210 -8.793 762 HB2 HIS 99 HB2 HIS 99 6.075 -14.214 -7.366 763 HB3 HIS 99 HB1 HIS 99 6.063 -13.969 -9.106 764 HD1 HIS 99 HD1 HIS 99 6.597 -12.189 -5.974 765 HD2 HIS 99 HD2 HIS 99 5.595 -11.216 -9.883 766 HE1 HIS 99 HE1 HIS 99 7.003 -9.713 -6.176 767 HE2 HIS 99 HE2 HIS 99 6.572 -9.194 -8.603 768 H HIS 100 HN HIS 100 5.158 -16.216 -7.627 769 HA HIS 100 HA HIS 100 3.220 -17.842 -9.150 770 HB2 HIS 100 HB2 HIS 100 5.511 -17.683 -10.328 771 HB3 HIS 100 HB1 HIS 100 6.185 -18.571 -8.966 772 HD1 HIS 100 HD1 HIS 100 4.501 -19.039 -12.172 773 HD2 HIS 100 HD2 HIS 100 5.016 -21.278 -8.712 774 HE1 HIS 100 HE1 HIS 100 3.913 -21.399 -12.804 775 HE2 HIS 100 HE2 HIS 100 4.235 -22.732 -10.695 776 H HIS 101 HN HIS 101 5.371 -17.417 -6.423 777 HA HIS 101 HA HIS 101 3.822 -19.404 -4.880 778 HB2 HIS 101 HB2 HIS 101 6.083 -20.325 -5.339 779 HB3 HIS 101 HB1 HIS 101 6.830 -18.881 -4.668 780 HD1 HIS 101 HD1 HIS 101 6.911 -18.681 -2.097 781 HD2 HIS 101 HD2 HIS 101 5.007 -22.123 -3.429 782 HE1 HIS 101 HE1 HIS 101 6.664 -20.134 -0.069 783 HE2 HIS 101 HE2 HIS 101 5.333 -22.117 -0.859 784 H282 PNS 102 H282 PNS 102 14.295 13.251 1.824 785 H281 PNS 102 H281 PNS 102 15.956 13.547 2.306 786 H303 PNS 102 H303 PNS 102 14.729 13.495 -1.833 787 H302 PNS 102 H302 PNS 102 14.217 12.124 -0.841 788 H301 PNS 102 H301 PNS 102 13.617 13.743 -0.482 789 H313 PNS 102 H313 PNS 102 17.178 12.859 -1.367 790 H312 PNS 102 H312 PNS 102 17.770 12.784 0.293 791 H311 PNS 102 H311 PNS 102 16.687 11.528 -0.309 792 H32 PNS 102 H32 PNS 102 15.179 15.506 0.590 793 H33 PNS 102 H33 PNS 102 17.920 15.474 0.369 794 H36 PNS 102 H36 PNS 102 17.987 14.592 -1.456 795 H372 PNS 102 H372 PNS 102 16.990 15.316 -3.960 796 H371 PNS 102 H371 PNS 102 17.737 16.760 -3.259 797 H382 PNS 102 H382 PNS 102 19.841 15.416 -2.924 798 H381 PNS 102 H381 PNS 102 19.074 14.090 -3.798 799 H41 PNS 102 H41 PNS 102 19.370 17.629 -4.262 800 H422 PNS 102 H422 PNS 102 21.082 17.587 -6.510 801 H421 PNS 102 H421 PNS 102 19.404 17.623 -7.075 802 H431 PNS 102 H431 PNS 102 20.267 19.895 -6.918 803 H432 PNS 102 H432 PNS 102 20.700 19.635 -5.221 804 H44 PNS 102 H44 PNS 102 17.610 20.012 -6.606 Start of MODEL 2 1 H1 MET 1 HT1 MET 1 -17.324 6.034 -3.603 2 H2 MET 1 HT2 MET 1 -16.179 4.851 -3.228 3 H3 MET 1 HT3 MET 1 -15.721 6.468 -3.317 4 HA MET 1 HA MET 1 -17.084 7.027 -1.453 5 HB2 MET 1 HB2 MET 1 -17.708 4.045 -1.422 6 HB3 MET 1 HB1 MET 1 -18.081 5.134 -0.091 7 HG2 MET 1 HG2 MET 1 -19.555 6.438 -1.590 8 HG3 MET 1 HG1 MET 1 -19.208 5.299 -2.894 9 HE1 MET 1 HE1 MET 1 -21.884 5.042 -3.173 10 HE2 MET 1 HE2 MET 1 -22.155 6.112 -1.796 11 HE3 MET 1 HE3 MET 1 -22.950 4.538 -1.859 12 H THR 2 HN THR 2 -15.454 3.810 -1.302 13 HA THR 2 HA THR 2 -13.278 4.986 0.273 14 HB THR 2 HB THR 2 -14.919 2.656 1.371 15 HG1 THR 2 HG1 THR 2 -16.117 4.081 2.377 16 HG21 THR 2 HG21 THR 2 -13.645 3.018 3.460 17 HG22 THR 2 HG22 THR 2 -12.718 4.301 2.680 18 HG23 THR 2 HG23 THR 2 -12.556 2.634 2.126 19 H SER 3 HN SER 3 -12.010 4.455 -1.577 20 HA SER 3 HA SER 3 -11.322 1.584 -1.896 21 HB2 SER 3 HB2 SER 3 -10.169 2.275 -3.976 22 HB3 SER 3 HB1 SER 3 -11.840 2.839 -3.998 23 HG SER 3 HG SER 3 -11.185 4.876 -3.800 24 H THR 4 HN THR 4 -8.787 1.403 -2.400 25 HA THR 4 HA THR 4 -7.266 2.042 -0.138 26 HB THR 4 HB THR 4 -6.220 1.455 -2.951 27 HG1 THR 4 HG1 THR 4 -6.155 -0.695 -2.188 28 HG21 THR 4 HG21 THR 4 -4.433 2.385 -1.517 29 HG22 THR 4 HG22 THR 4 -4.166 0.660 -1.783 30 HG23 THR 4 HG23 THR 4 -4.831 1.222 -0.249 31 H PHE 5 HN PHE 5 -7.540 3.703 -3.281 32 HA PHE 5 HA PHE 5 -5.632 5.722 -2.884 33 HB2 PHE 5 HB2 PHE 5 -6.532 5.369 -5.125 34 HB3 PHE 5 HB1 PHE 5 -8.167 5.758 -4.589 35 HD1 PHE 5 HD1 PHE 5 -4.745 7.243 -5.004 36 HD2 PHE 5 HD2 PHE 5 -8.944 8.035 -4.673 37 HE1 PHE 5 HE1 PHE 5 -4.345 9.623 -5.459 38 HE2 PHE 5 HE2 PHE 5 -8.524 10.415 -5.135 39 HZ PHE 5 HZ PHE 5 -6.228 11.208 -5.520 40 H ASP 6 HN ASP 6 -9.148 5.698 -2.151 41 HA ASP 6 HA ASP 6 -9.403 8.352 -1.242 42 HB2 ASP 6 HB2 ASP 6 -10.994 5.862 -0.526 43 HB3 ASP 6 HB1 ASP 6 -11.399 7.443 0.142 44 H ARG 7 HN ARG 7 -8.543 5.395 0.508 45 HA ARG 7 HA ARG 7 -8.452 6.476 3.116 46 HB2 ARG 7 HB2 ARG 7 -6.945 4.102 1.950 47 HB3 ARG 7 HB1 ARG 7 -7.042 4.469 3.668 48 HG2 ARG 7 HG2 ARG 7 -9.304 3.655 1.836 49 HG3 ARG 7 HG1 ARG 7 -8.610 2.711 3.146 50 HD2 ARG 7 HD2 ARG 7 -10.636 3.510 4.045 51 HD3 ARG 7 HD1 ARG 7 -9.446 4.638 4.695 52 HE ARG 7 HE ARG 7 -10.719 5.451 2.209 53 HH11 ARG 7 HH11 ARG 7 -10.808 5.711 5.710 54 HH12 ARG 7 HH12 ARG 7 -11.821 7.116 5.687 55 HH21 ARG 7 HH21 ARG 7 -11.994 7.337 2.215 56 HH22 ARG 7 HH22 ARG 7 -12.482 8.034 3.724 57 H VAL 8 HN VAL 8 -5.820 5.794 0.833 58 HA VAL 8 HA VAL 8 -3.660 6.847 2.278 59 HB VAL 8 HB VAL 8 -4.037 6.530 -0.744 60 HG11 VAL 8 HG11 VAL 8 -1.437 7.023 0.776 61 HG12 VAL 8 HG12 VAL 8 -2.210 8.137 -0.354 62 HG13 VAL 8 HG13 VAL 8 -1.551 6.608 -0.938 63 HG21 VAL 8 HG21 VAL 8 -4.222 4.412 0.534 64 HG22 VAL 8 HG22 VAL 8 -2.651 4.715 1.281 65 HG23 VAL 8 HG23 VAL 8 -2.758 4.422 -0.457 66 H ALA 9 HN ALA 9 -5.900 8.396 0.023 67 HA ALA 9 HA ALA 9 -4.645 10.897 -0.276 68 HB1 ALA 9 HB1 ALA 9 -6.845 11.650 -1.131 69 HB2 ALA 9 HB2 ALA 9 -7.592 10.176 -0.504 70 HB3 ALA 9 HB3 ALA 9 -6.403 10.078 -1.804 71 H THR 10 HN THR 10 -7.237 9.797 1.941 72 HA THR 10 HA THR 10 -7.579 12.199 3.385 73 HB THR 10 HB THR 10 -8.000 9.419 4.579 74 HG1 THR 10 HG1 THR 10 -9.445 9.136 3.087 75 HG21 THR 10 HG21 THR 10 -9.444 12.054 5.062 76 HG22 THR 10 HG22 THR 10 -8.267 11.322 6.155 77 HG23 THR 10 HG23 THR 10 -9.803 10.511 5.848 78 H ILE 11 HN ILE 11 -5.452 9.407 3.899 79 HA ILE 11 HA ILE 11 -4.283 10.101 6.336 80 HB ILE 11 HB ILE 11 -3.240 8.447 3.997 81 HG12 ILE 11 HG12 ILE 11 -4.237 7.619 6.759 82 HG13 ILE 11 HG11 ILE 11 -5.198 7.575 5.290 83 HG21 ILE 11 HG21 ILE 11 -1.864 8.790 6.690 84 HG22 ILE 11 HG22 ILE 11 -1.246 9.301 5.118 85 HG23 ILE 11 HG23 ILE 11 -1.429 7.585 5.470 86 HD11 ILE 11 HD11 ILE 11 -2.732 5.923 5.826 87 HD12 ILE 11 HD12 ILE 11 -3.714 5.871 4.360 88 HD13 ILE 11 HD13 ILE 11 -4.407 5.372 5.902 89 H ILE 12 HN ILE 12 -3.227 10.917 2.989 90 HA ILE 12 HA ILE 12 -0.797 12.215 3.721 91 HB ILE 12 HB ILE 12 -2.510 12.352 1.201 92 HG12 ILE 12 HG12 ILE 12 0.116 10.902 1.752 93 HG13 ILE 12 HG11 ILE 12 -1.470 10.146 1.686 94 HG21 ILE 12 HG21 ILE 12 -1.238 14.433 1.303 95 HG22 ILE 12 HG22 ILE 12 -0.578 13.390 0.045 96 HG23 ILE 12 HG23 ILE 12 0.260 13.540 1.592 97 HD11 ILE 12 HD11 ILE 12 -1.652 10.739 -0.680 98 HD12 ILE 12 HD12 ILE 12 -0.234 9.747 -0.344 99 HD13 ILE 12 HD13 ILE 12 -0.047 11.478 -0.612 100 H ALA 13 HN ALA 13 -4.042 13.390 2.914 101 HA ALA 13 HA ALA 13 -3.741 16.122 3.132 102 HB1 ALA 13 HB1 ALA 13 -6.183 16.154 3.544 103 HB2 ALA 13 HB2 ALA 13 -6.146 14.422 3.874 104 HB3 ALA 13 HB3 ALA 13 -5.753 15.019 2.261 105 H GLU 14 HN GLU 14 -4.593 13.815 5.742 106 HA GLU 14 HA GLU 14 -4.730 15.834 7.802 107 HB2 GLU 14 HB2 GLU 14 -4.773 12.790 7.995 108 HB3 GLU 14 HB1 GLU 14 -5.041 13.874 9.360 109 HG2 GLU 14 HG2 GLU 14 -7.012 14.827 8.180 110 HG3 GLU 14 HG1 GLU 14 -6.761 13.672 6.872 111 H THR 15 HN THR 15 -2.183 13.702 6.622 112 HA THR 15 HA THR 15 -0.559 13.816 9.008 113 HB THR 15 HB THR 15 0.067 12.749 6.219 114 HG1 THR 15 HG1 THR 15 -1.518 11.639 7.611 115 HG21 THR 15 HG21 THR 15 1.717 12.493 8.765 116 HG22 THR 15 HG22 THR 15 2.188 13.371 7.308 117 HG23 THR 15 HG23 THR 15 2.016 11.618 7.256 118 H CYS 16 HN CYS 16 -0.314 15.282 5.726 119 HA CYS 16 HA CYS 16 1.968 16.917 6.673 120 HB2 CYS 16 HB2 CYS 16 1.370 15.877 3.876 121 HB3 CYS 16 HB1 CYS 16 2.753 16.875 4.320 122 HG CYS 16 HG CYS 16 3.955 14.988 5.921 123 H ASP 17 HN ASP 17 -1.199 17.313 6.281 124 HA ASP 17 HA ASP 17 -2.673 18.958 5.770 125 HB2 ASP 17 HB2 ASP 17 -1.368 20.159 7.472 126 HB3 ASP 17 HB1 ASP 17 -0.228 20.711 6.252 127 H ILE 18 HN ILE 18 -2.081 17.674 3.611 128 HA ILE 18 HA ILE 18 -1.385 19.533 1.435 129 HB ILE 18 HB ILE 18 -1.946 16.531 1.286 130 HG12 ILE 18 HG12 ILE 18 0.056 16.986 2.679 131 HG13 ILE 18 HG11 ILE 18 0.493 16.203 1.168 132 HG21 ILE 18 HG21 ILE 18 -2.300 17.677 -0.866 133 HG22 ILE 18 HG22 ILE 18 -0.864 16.657 -0.946 134 HG23 ILE 18 HG23 ILE 18 -0.696 18.405 -0.770 135 HD11 ILE 18 HD11 ILE 18 0.803 19.130 1.804 136 HD12 ILE 18 HD12 ILE 18 1.231 18.355 0.277 137 HD13 ILE 18 HD13 ILE 18 2.085 17.918 1.755 138 HA PRO 19 HA PRO 19 -5.829 20.290 0.744 139 HB2 PRO 19 HB2 PRO 19 -4.884 20.857 -2.072 140 HB3 PRO 19 HB1 PRO 19 -5.901 21.840 -1.006 141 HG2 PRO 19 HG2 PRO 19 -3.348 22.509 -1.414 142 HG3 PRO 19 HG1 PRO 19 -4.068 22.660 0.205 143 HD2 PRO 19 HD2 PRO 19 -2.228 20.518 -0.864 144 HD3 PRO 19 HD1 PRO 19 -2.225 21.314 0.730 145 H ARG 20 HN ARG 20 -7.118 18.558 0.559 146 HA ARG 20 HA ARG 20 -6.748 16.149 -0.687 147 HB2 ARG 20 HB2 ARG 20 -8.499 16.584 0.991 148 HB3 ARG 20 HB1 ARG 20 -9.369 17.615 -0.141 149 HG2 ARG 20 HG2 ARG 20 -10.524 15.532 -0.032 150 HG3 ARG 20 HG1 ARG 20 -9.725 15.593 -1.599 151 HD2 ARG 20 HD2 ARG 20 -7.905 14.141 -0.657 152 HD3 ARG 20 HD1 ARG 20 -8.836 14.016 0.844 153 HE ARG 20 HE ARG 20 -10.048 13.201 -1.725 154 HH11 ARG 20 HH11 ARG 20 -9.010 12.283 1.501 155 HH12 ARG 20 HH12 ARG 20 -9.688 10.691 1.394 156 HH21 ARG 20 HH21 ARG 20 -10.934 11.117 -1.853 157 HH22 ARG 20 HH22 ARG 20 -10.803 10.038 -0.505 158 H GLU 21 HN GLU 21 -8.016 19.104 -2.139 159 HA GLU 21 HA GLU 21 -9.065 18.045 -4.547 160 HB2 GLU 21 HB2 GLU 21 -9.067 20.402 -5.331 161 HB3 GLU 21 HB1 GLU 21 -9.715 20.236 -3.703 162 HG2 GLU 21 HG2 GLU 21 -7.438 20.939 -2.825 163 HG3 GLU 21 HG1 GLU 21 -6.999 21.330 -4.487 164 H THR 22 HN THR 22 -5.777 18.982 -3.635 165 HA THR 22 HA THR 22 -4.744 18.875 -6.368 166 HB THR 22 HB THR 22 -2.507 19.287 -5.355 167 HG1 THR 22 HG1 THR 22 -3.504 18.238 -3.182 168 HG21 THR 22 HG21 THR 22 -3.897 21.258 -5.850 169 HG22 THR 22 HG22 THR 22 -2.927 21.534 -4.404 170 HG23 THR 22 HG23 THR 22 -4.644 21.157 -4.251 171 H ILE 23 HN ILE 23 -5.291 16.752 -3.722 172 HA ILE 23 HA ILE 23 -3.354 14.718 -4.414 173 HB ILE 23 HB ILE 23 -5.768 14.680 -2.540 174 HG12 ILE 23 HG12 ILE 23 -2.794 14.940 -1.908 175 HG13 ILE 23 HG11 ILE 23 -3.966 16.251 -1.852 176 HG21 ILE 23 HG21 ILE 23 -4.870 12.624 -1.560 177 HG22 ILE 23 HG22 ILE 23 -3.568 12.611 -2.746 178 HG23 ILE 23 HG23 ILE 23 -5.237 12.390 -3.270 179 HD11 ILE 23 HD11 ILE 23 -3.939 13.813 -0.074 180 HD12 ILE 23 HD12 ILE 23 -5.136 15.110 -0.018 181 HD13 ILE 23 HD13 ILE 23 -3.449 15.450 0.367 182 H THR 24 HN THR 24 -3.744 14.153 -6.571 183 HA THR 24 HA THR 24 -6.322 12.794 -7.195 184 HB THR 24 HB THR 24 -5.930 13.441 -9.598 185 HG1 THR 24 HG1 THR 24 -3.514 14.129 -8.742 186 HG21 THR 24 HG21 THR 24 -6.049 15.833 -7.718 187 HG22 THR 24 HG22 THR 24 -7.430 14.845 -8.208 188 HG23 THR 24 HG23 THR 24 -6.567 15.822 -9.401 189 HA PRO 25 HA PRO 25 -4.117 8.994 -8.150 190 HB2 PRO 25 HB2 PRO 25 -5.260 9.203 -10.949 191 HB3 PRO 25 HB1 PRO 25 -5.222 7.812 -9.851 192 HG2 PRO 25 HG2 PRO 25 -7.471 9.186 -10.110 193 HG3 PRO 25 HG1 PRO 25 -6.944 8.672 -8.491 194 HD2 PRO 25 HD2 PRO 25 -6.781 11.399 -9.760 195 HD3 PRO 25 HD1 PRO 25 -7.166 10.955 -8.082 196 H GLU 26 HN GLU 26 -3.694 11.720 -10.399 197 HA GLU 26 HA GLU 26 -1.358 10.543 -11.709 198 HB2 GLU 26 HB2 GLU 26 -2.672 13.253 -12.173 199 HB3 GLU 26 HB1 GLU 26 -1.482 12.474 -13.211 200 HG2 GLU 26 HG2 GLU 26 -4.331 11.563 -12.717 201 HG3 GLU 26 HG1 GLU 26 -3.705 12.315 -14.182 202 H SER 27 HN SER 27 -1.796 12.090 -8.845 203 HA SER 27 HA SER 27 0.221 14.183 -9.041 204 HB2 SER 27 HB2 SER 27 -1.387 13.161 -6.654 205 HB3 SER 27 HB1 SER 27 -0.261 14.522 -6.599 206 HG SER 27 HG SER 27 -1.706 15.734 -7.470 207 H HIS 28 HN HIS 28 2.289 13.912 -8.611 208 HA HIS 28 HA HIS 28 3.356 11.411 -7.537 209 HB2 HIS 28 HB2 HIS 28 4.302 12.761 -9.530 210 HB3 HIS 28 HB1 HIS 28 4.873 13.931 -8.343 211 HD2 HIS 28 HD2 HIS 28 5.898 10.651 -9.939 212 HE1 HIS 28 HE1 HIS 28 8.568 11.393 -6.759 213 HE2 HIS 28 HE2 HIS 28 8.241 10.216 -8.974 214 H ALA 29 HN ALA 29 3.539 11.246 -5.301 215 HA ALA 29 HA ALA 29 2.944 13.103 -3.410 216 HB1 ALA 29 HB1 ALA 29 3.128 10.691 -2.992 217 HB2 ALA 29 HB2 ALA 29 4.053 11.606 -1.800 218 HB3 ALA 29 HB3 ALA 29 4.886 10.783 -3.124 219 H ILE 30 HN ILE 30 6.112 12.677 -4.991 220 HA ILE 30 HA ILE 30 7.441 14.345 -2.955 221 HB ILE 30 HB ILE 30 8.648 12.668 -5.200 222 HG12 ILE 30 HG12 ILE 30 8.417 12.176 -2.201 223 HG13 ILE 30 HG11 ILE 30 7.709 11.214 -3.493 224 HG21 ILE 30 HG21 ILE 30 10.845 13.104 -4.172 225 HG22 ILE 30 HG22 ILE 30 10.087 14.187 -2.998 226 HG23 ILE 30 HG23 ILE 30 10.077 14.601 -4.713 227 HD11 ILE 30 HD11 ILE 30 9.593 10.075 -2.518 228 HD12 ILE 30 HD12 ILE 30 10.637 11.461 -2.823 229 HD13 ILE 30 HD13 ILE 30 9.984 10.534 -4.177 230 H ASP 31 HN ASP 31 6.830 14.186 -6.452 231 HA ASP 31 HA ASP 31 8.272 16.642 -7.045 232 HB2 ASP 31 HB2 ASP 31 8.404 14.825 -8.658 233 HB3 ASP 31 HB1 ASP 31 6.654 14.736 -8.788 234 H ASP 32 HN ASP 32 4.866 15.560 -7.165 235 HA ASP 32 HA ASP 32 3.887 18.152 -8.050 236 HB2 ASP 32 HB2 ASP 32 2.946 16.039 -8.954 237 HB3 ASP 32 HB1 ASP 32 2.410 15.575 -7.345 238 H LEU 33 HN LEU 33 3.141 16.020 -5.248 239 HA LEU 33 HA LEU 33 1.655 18.036 -3.840 240 HB2 LEU 33 HB2 LEU 33 2.712 15.361 -2.853 241 HB3 LEU 33 HB1 LEU 33 1.546 16.359 -1.997 242 HG LEU 33 HG LEU 33 1.101 14.921 -4.644 243 HD11 LEU 33 HD11 LEU 33 -0.120 14.419 -1.910 244 HD12 LEU 33 HD12 LEU 33 1.113 13.432 -2.703 245 HD13 LEU 33 HD13 LEU 33 -0.496 13.554 -3.405 246 HD21 LEU 33 HD21 LEU 33 -0.102 17.047 -4.685 247 HD22 LEU 33 HD22 LEU 33 -0.838 16.698 -3.121 248 HD23 LEU 33 HD23 LEU 33 -1.237 15.707 -4.527 249 H GLY 34 HN GLY 34 5.004 17.300 -4.020 250 HA2 GLY 34 HA2 GLY 34 6.853 18.209 -3.026 251 HA3 GLY 34 HA1 GLY 34 5.799 19.440 -2.353 252 H ILE 35 HN ILE 35 6.281 15.951 -1.906 253 HA ILE 35 HA ILE 35 6.554 16.286 1.035 254 HB ILE 35 HB ILE 35 5.207 13.982 -0.461 255 HG12 ILE 35 HG12 ILE 35 3.885 16.042 1.356 256 HG13 ILE 35 HG11 ILE 35 3.839 16.090 -0.403 257 HG21 ILE 35 HG21 ILE 35 4.602 13.086 1.754 258 HG22 ILE 35 HG22 ILE 35 5.499 14.386 2.531 259 HG23 ILE 35 HG23 ILE 35 6.355 13.186 1.561 260 HD11 ILE 35 HD11 ILE 35 1.782 15.188 0.473 261 HD12 ILE 35 HD12 ILE 35 2.664 13.938 1.347 262 HD13 ILE 35 HD13 ILE 35 2.652 13.937 -0.418 263 H ASP 36 HN ASP 36 8.594 15.650 1.644 264 HA ASP 36 HA ASP 36 10.078 13.718 -0.038 265 HB2 ASP 36 HB2 ASP 36 11.060 15.732 2.030 266 HB3 ASP 36 HB1 ASP 36 12.089 14.456 1.381 267 H SER 37 HN SER 37 11.686 12.428 1.396 268 HA SER 37 HA SER 37 10.370 10.307 2.520 269 HB2 SER 37 HB2 SER 37 12.671 9.780 3.556 270 HB3 SER 37 HB1 SER 37 12.626 10.026 1.807 271 H LEU 38 HN LEU 38 11.650 13.146 4.247 272 HA LEU 38 HA LEU 38 11.506 12.461 6.919 273 HB2 LEU 38 HB2 LEU 38 10.684 15.114 5.666 274 HB3 LEU 38 HB1 LEU 38 11.075 14.884 7.365 275 HG LEU 38 HG LEU 38 13.013 14.598 5.038 276 HD11 LEU 38 HD11 LEU 38 12.396 16.922 5.452 277 HD12 LEU 38 HD12 LEU 38 14.070 16.624 5.910 278 HD13 LEU 38 HD13 LEU 38 12.826 16.762 7.158 279 HD21 LEU 38 HD21 LEU 38 13.532 14.322 8.018 280 HD22 LEU 38 HD22 LEU 38 14.764 14.343 6.753 281 HD23 LEU 38 HD23 LEU 38 13.594 13.031 6.813 282 H ASP 39 HN ASP 39 8.933 13.743 4.873 283 HA ASP 39 HA ASP 39 6.842 13.480 6.888 284 HB2 ASP 39 HB2 ASP 39 6.706 14.408 3.986 285 HB3 ASP 39 HB1 ASP 39 5.430 14.589 5.188 286 H PHE 40 HN PHE 40 8.011 11.760 4.054 287 HA PHE 40 HA PHE 40 5.476 10.564 3.372 288 HB2 PHE 40 HB2 PHE 40 7.289 11.165 1.679 289 HB3 PHE 40 HB1 PHE 40 8.219 9.798 2.284 290 HD1 PHE 40 HD1 PHE 40 4.848 10.641 0.868 291 HD2 PHE 40 HD2 PHE 40 7.900 7.666 1.262 292 HE1 PHE 40 HE1 PHE 40 3.616 9.167 -0.663 293 HE2 PHE 40 HE2 PHE 40 6.654 6.204 -0.275 294 HZ PHE 40 HZ PHE 40 4.520 6.954 -1.238 295 H LEU 41 HN LEU 41 8.285 9.631 5.291 296 HA LEU 41 HA LEU 41 7.667 6.858 5.599 297 HB2 LEU 41 HB2 LEU 41 9.177 8.762 7.438 298 HB3 LEU 41 HB1 LEU 41 9.104 7.022 7.674 299 HG LEU 41 HG LEU 41 10.402 8.452 5.326 300 HD11 LEU 41 HD11 LEU 41 12.527 7.651 6.226 301 HD12 LEU 41 HD12 LEU 41 11.696 6.939 7.611 302 HD13 LEU 41 HD13 LEU 41 11.693 8.690 7.385 303 HD21 LEU 41 HD21 LEU 41 11.180 6.235 4.597 304 HD22 LEU 41 HD22 LEU 41 9.423 6.348 4.585 305 HD23 LEU 41 HD23 LEU 41 10.241 5.476 5.886 306 H ASP 42 HN ASP 42 6.726 9.812 7.335 307 HA ASP 42 HA ASP 42 5.239 8.647 9.455 308 HB2 ASP 42 HB2 ASP 42 6.038 11.099 9.198 309 HB3 ASP 42 HB1 ASP 42 4.642 11.345 8.161 310 H ILE 43 HN ILE 43 4.305 9.840 6.227 311 HA ILE 43 HA ILE 43 1.568 9.201 6.218 312 HB ILE 43 HB ILE 43 3.535 9.203 3.879 313 HG12 ILE 43 HG12 ILE 43 1.625 11.366 4.867 314 HG13 ILE 43 HG11 ILE 43 3.378 11.397 5.004 315 HG21 ILE 43 HG21 ILE 43 1.585 9.415 2.375 316 HG22 ILE 43 HG22 ILE 43 0.496 9.236 3.754 317 HG23 ILE 43 HG23 ILE 43 1.546 7.899 3.276 318 HD11 ILE 43 HD11 ILE 43 2.650 12.845 3.229 319 HD12 ILE 43 HD12 ILE 43 1.778 11.525 2.454 320 HD13 ILE 43 HD13 ILE 43 3.541 11.483 2.546 321 H ALA 44 HN ALA 44 4.429 7.211 5.463 322 HA ALA 44 HA ALA 44 2.971 5.012 4.344 323 HB1 ALA 44 HB1 ALA 44 5.161 3.884 4.301 324 HB2 ALA 44 HB2 ALA 44 5.853 5.174 5.293 325 HB3 ALA 44 HB3 ALA 44 5.281 5.527 3.663 326 H PHE 45 HN PHE 45 4.155 5.878 7.525 327 HA PHE 45 HA PHE 45 3.724 3.344 8.824 328 HB2 PHE 45 HB2 PHE 45 4.417 6.129 9.722 329 HB3 PHE 45 HB1 PHE 45 3.635 5.112 10.920 330 HD1 PHE 45 HD1 PHE 45 4.675 2.868 11.505 331 HD2 PHE 45 HD2 PHE 45 6.773 5.852 9.268 332 HE1 PHE 45 HE1 PHE 45 6.813 1.797 12.072 333 HE2 PHE 45 HE2 PHE 45 8.905 4.771 9.833 334 HZ PHE 45 HZ PHE 45 8.930 2.752 11.241 335 H ALA 46 HN ALA 46 1.810 6.264 8.320 336 HA ALA 46 HA ALA 46 -0.408 5.537 9.963 337 HB1 ALA 46 HB1 ALA 46 -1.592 7.364 8.788 338 HB2 ALA 46 HB2 ALA 46 -0.275 7.464 7.615 339 HB3 ALA 46 HB3 ALA 46 0.017 7.866 9.309 340 H ILE 47 HN ILE 47 0.375 5.089 6.531 341 HA ILE 47 HA ILE 47 -1.995 3.746 5.691 342 HB ILE 47 HB ILE 47 0.849 3.719 4.593 343 HG12 ILE 47 HG12 ILE 47 -1.614 5.191 3.544 344 HG13 ILE 47 HG11 ILE 47 -0.349 5.928 4.518 345 HG21 ILE 47 HG21 ILE 47 -0.268 1.665 3.869 346 HG22 ILE 47 HG22 ILE 47 -0.034 2.756 2.509 347 HG23 ILE 47 HG23 ILE 47 -1.630 2.598 3.245 348 HD11 ILE 47 HD11 ILE 47 -0.085 6.468 2.173 349 HD12 ILE 47 HD12 ILE 47 0.009 4.759 1.760 350 HD13 ILE 47 HD13 ILE 47 1.279 5.502 2.738 351 H ASP 48 HN ASP 48 1.125 2.666 6.900 352 HA ASP 48 HA ASP 48 1.125 -0.068 6.500 353 HB2 ASP 48 HB2 ASP 48 2.991 1.438 7.364 354 HB3 ASP 48 HB1 ASP 48 2.234 1.401 8.942 355 H LYS 49 HN LYS 49 0.032 1.720 9.339 356 HA LYS 49 HA LYS 49 -0.923 -0.559 10.812 357 HB2 LYS 49 HB2 LYS 49 -1.341 2.416 11.324 358 HB3 LYS 49 HB1 LYS 49 -1.610 1.115 12.485 359 HG2 LYS 49 HG2 LYS 49 0.771 0.566 12.474 360 HG3 LYS 49 HG1 LYS 49 1.068 1.793 11.238 361 HD2 LYS 49 HD2 LYS 49 0.308 3.548 12.851 362 HD3 LYS 49 HD1 LYS 49 0.119 2.294 14.084 363 HE2 LYS 49 HE2 LYS 49 2.544 1.785 13.905 364 HE3 LYS 49 HE1 LYS 49 2.720 3.074 12.711 365 HZ1 LYS 49 HZ1 LYS 49 3.345 3.799 14.924 366 HZ2 LYS 49 HZ2 LYS 49 1.803 3.444 15.509 367 HZ3 LYS 49 HZ3 LYS 49 2.007 4.669 14.366 368 H ALA 50 HN ALA 50 -2.491 2.074 8.958 369 HA ALA 50 HA ALA 50 -5.159 1.608 9.551 370 HB1 ALA 50 HB1 ALA 50 -4.026 2.579 6.906 371 HB2 ALA 50 HB2 ALA 50 -4.344 3.588 8.318 372 HB3 ALA 50 HB3 ALA 50 -5.681 2.806 7.476 373 H PHE 51 HN PHE 51 -3.331 0.318 6.772 374 HA PHE 51 HA PHE 51 -5.449 -1.533 6.033 375 HB2 PHE 51 HB2 PHE 51 -2.670 -1.051 4.886 376 HB3 PHE 51 HB1 PHE 51 -3.823 -2.193 4.213 377 HD1 PHE 51 HD2 PHE 51 -3.152 1.424 4.777 378 HD2 PHE 51 HD1 PHE 51 -5.644 -1.446 2.814 379 HE1 PHE 51 HE2 PHE 51 -4.093 3.200 3.367 380 HE2 PHE 51 HE1 PHE 51 -6.581 0.337 1.410 381 HZ PHE 51 HZ PHE 51 -5.805 2.658 1.681 382 H GLY 52 HN GLY 52 -3.117 -1.672 8.414 383 HA2 GLY 52 HA2 GLY 52 -2.401 -3.343 9.800 384 HA3 GLY 52 HA1 GLY 52 -3.612 -4.374 9.055 385 H ILE 53 HN ILE 53 -1.161 -2.953 7.075 386 HA ILE 53 HA ILE 53 0.116 -5.595 6.656 387 HB ILE 53 HB ILE 53 0.709 -4.612 4.319 388 HG12 ILE 53 HG12 ILE 53 -1.173 -2.930 3.513 389 HG13 ILE 53 HG11 ILE 53 -1.340 -2.551 5.215 390 HG21 ILE 53 HG21 ILE 53 -0.917 -6.407 4.631 391 HG22 ILE 53 HG22 ILE 53 -1.430 -5.323 3.339 392 HG23 ILE 53 HG23 ILE 53 -2.199 -5.228 4.925 393 HD11 ILE 53 HD11 ILE 53 0.018 -0.941 4.005 394 HD12 ILE 53 HD12 ILE 53 1.178 -2.209 3.602 395 HD13 ILE 53 HD13 ILE 53 0.927 -1.737 5.287 396 H LYS 54 HN LYS 54 2.354 -4.956 5.318 397 HA LYS 54 HA LYS 54 3.711 -2.776 6.745 398 HB2 LYS 54 HB2 LYS 54 4.232 -5.310 7.519 399 HB3 LYS 54 HB1 LYS 54 5.321 -5.267 6.146 400 HG2 LYS 54 HG2 LYS 54 5.366 -3.344 8.495 401 HG3 LYS 54 HG1 LYS 54 6.452 -4.714 8.280 402 HD2 LYS 54 HD2 LYS 54 7.558 -3.679 6.428 403 HD3 LYS 54 HD1 LYS 54 6.292 -2.466 6.245 404 HE2 LYS 54 HE2 LYS 54 8.216 -2.650 8.589 405 HE3 LYS 54 HE1 LYS 54 8.335 -1.509 7.245 406 HZ1 LYS 54 HZ1 LYS 54 7.291 -0.452 9.124 407 HZ2 LYS 54 HZ2 LYS 54 6.120 -1.665 9.224 408 HZ3 LYS 54 HZ3 LYS 54 6.146 -0.631 7.890 409 H LEU 55 HN LEU 55 4.251 -1.310 5.191 410 HA LEU 55 HA LEU 55 4.729 -2.026 2.444 411 HB2 LEU 55 HB2 LEU 55 5.298 0.585 3.915 412 HB3 LEU 55 HB1 LEU 55 5.290 0.374 2.173 413 HG LEU 55 HG LEU 55 2.860 0.195 4.000 414 HD11 LEU 55 HD11 LEU 55 3.648 2.482 3.755 415 HD12 LEU 55 HD12 LEU 55 2.123 2.261 2.904 416 HD13 LEU 55 HD13 LEU 55 3.635 2.332 1.995 417 HD21 LEU 55 HD21 LEU 55 1.526 0.025 1.937 418 HD22 LEU 55 HD22 LEU 55 2.607 -1.348 2.136 419 HD23 LEU 55 HD23 LEU 55 3.011 -0.076 0.980 420 HA PRO 56 HA PRO 56 9.310 -2.369 3.125 421 HB2 PRO 56 HB2 PRO 56 9.943 -3.279 0.636 422 HB3 PRO 56 HB1 PRO 56 9.319 -4.354 1.895 423 HG2 PRO 56 HG2 PRO 56 7.841 -3.055 -0.387 424 HG3 PRO 56 HG1 PRO 56 7.734 -4.730 0.193 425 HD2 PRO 56 HD2 PRO 56 5.898 -2.819 0.867 426 HD3 PRO 56 HD1 PRO 56 6.312 -4.164 1.952 427 H LEU 57 HN LEU 57 8.432 0.055 3.109 428 HA LEU 57 HA LEU 57 8.421 1.631 0.768 429 HB2 LEU 57 HB2 LEU 57 7.433 2.077 3.193 430 HB3 LEU 57 HB1 LEU 57 9.007 2.749 3.542 431 HG LEU 57 HG LEU 57 7.360 4.504 3.055 432 HD11 LEU 57 HD11 LEU 57 8.535 5.830 1.403 433 HD12 LEU 57 HD12 LEU 57 9.411 4.403 0.837 434 HD13 LEU 57 HD13 LEU 57 9.672 5.010 2.474 435 HD21 LEU 57 HD21 LEU 57 5.879 3.201 1.614 436 HD22 LEU 57 HD22 LEU 57 7.064 3.276 0.307 437 HD23 LEU 57 HD23 LEU 57 6.292 4.752 0.890 438 H GLU 58 HN GLU 58 10.873 0.899 3.207 439 HA GLU 58 HA GLU 58 12.914 2.676 2.388 440 HB2 GLU 58 HB2 GLU 58 13.178 -0.019 3.806 441 HB3 GLU 58 HB1 GLU 58 14.447 1.201 3.682 442 HG2 GLU 58 HG2 GLU 58 12.869 2.799 4.866 443 HG3 GLU 58 HG1 GLU 58 11.828 1.411 5.181 444 H LYS 59 HN LYS 59 12.167 -0.676 1.460 445 HA LYS 59 HA LYS 59 14.344 -1.162 -0.274 446 HB2 LYS 59 HB2 LYS 59 12.766 -2.950 0.512 447 HB3 LYS 59 HB1 LYS 59 11.505 -2.265 -0.508 448 HG2 LYS 59 HG2 LYS 59 12.876 -2.773 -2.522 449 HG3 LYS 59 HG1 LYS 59 14.119 -3.473 -1.486 450 HD2 LYS 59 HD2 LYS 59 12.839 -5.293 -2.397 451 HD3 LYS 59 HD1 LYS 59 12.416 -5.159 -0.689 452 HE2 LYS 59 HE2 LYS 59 10.403 -5.569 -2.004 453 HE3 LYS 59 HE1 LYS 59 10.335 -3.935 -1.346 454 HZ1 LYS 59 HZ1 LYS 59 11.259 -4.560 -4.093 455 HZ2 LYS 59 HZ2 LYS 59 10.899 -3.040 -3.453 456 HZ3 LYS 59 HZ3 LYS 59 9.657 -4.158 -3.720 457 H TRP 60 HN TRP 60 11.094 0.113 -0.841 458 HA TRP 60 HA TRP 60 11.134 0.420 -3.618 459 HB2 TRP 60 HB2 TRP 60 9.610 2.018 -1.522 460 HB3 TRP 60 HB1 TRP 60 9.278 2.080 -3.252 461 HD1 TRP 60 HD1 TRP 60 9.847 -1.440 -2.929 462 HE1 TRP 60 HE1 TRP 60 7.697 -2.744 -2.408 463 HE3 TRP 60 HE3 TRP 60 6.867 2.434 -1.424 464 HZ2 TRP 60 HZ2 TRP 60 5.101 -2.225 -1.480 465 HZ3 TRP 60 HZ3 TRP 60 4.557 1.945 -0.734 466 HH2 TRP 60 HH2 TRP 60 3.688 -0.341 -0.762 467 H THR 61 HN THR 61 12.082 2.682 -1.066 468 HA THR 61 HA THR 61 12.544 4.977 -2.659 469 HB THR 61 HB THR 61 13.811 4.264 0.032 470 HG1 THR 61 HG1 THR 61 11.325 4.436 -0.349 471 HG21 THR 61 HG21 THR 61 13.376 6.987 -1.267 472 HG22 THR 61 HG22 THR 61 14.935 6.187 -1.046 473 HG23 THR 61 HG23 THR 61 14.006 6.708 0.358 474 H GLN 62 HN GLN 62 14.592 2.211 -1.728 475 HA GLN 62 HA GLN 62 17.072 3.451 -2.565 476 HB2 GLN 62 HB2 GLN 62 16.416 0.597 -1.736 477 HB3 GLN 62 HB1 GLN 62 18.045 1.224 -1.990 478 HG2 GLN 62 HG2 GLN 62 17.852 2.697 -0.110 479 HG3 GLN 62 HG1 GLN 62 16.132 2.365 0.055 480 HE21 GLN 62 HE21 GLN 62 16.265 1.641 2.159 481 HE22 GLN 62 HE22 GLN 62 17.050 0.171 2.623 482 H GLU 63 HN GLU 63 14.740 1.117 -3.837 483 HA GLU 63 HA GLU 63 16.146 0.232 -6.142 484 HB2 GLU 63 HB2 GLU 63 13.150 0.451 -5.608 485 HB3 GLU 63 HB1 GLU 63 13.836 -0.352 -7.020 486 HG2 GLU 63 HG2 GLU 63 14.875 -2.033 -5.645 487 HG3 GLU 63 HG1 GLU 63 14.428 -1.174 -4.171 488 H VAL 64 HN VAL 64 13.839 2.879 -5.635 489 HA VAL 64 HA VAL 64 13.836 4.080 -8.161 490 HB VAL 64 HB VAL 64 13.564 5.240 -5.361 491 HG11 VAL 64 HG11 VAL 64 12.715 7.351 -6.370 492 HG12 VAL 64 HG12 VAL 64 13.226 6.777 -7.961 493 HG13 VAL 64 HG13 VAL 64 14.428 7.079 -6.703 494 HG21 VAL 64 HG21 VAL 64 11.723 3.784 -6.118 495 HG22 VAL 64 HG22 VAL 64 11.510 4.784 -7.556 496 HG23 VAL 64 HG23 VAL 64 11.171 5.454 -5.959 497 H ASN 65 HN ASN 65 16.000 4.725 -5.390 498 HA ASN 65 HA ASN 65 17.661 6.627 -6.656 499 HB2 ASN 65 HB2 ASN 65 18.025 4.903 -4.182 500 HB3 ASN 65 HB1 ASN 65 19.249 6.057 -4.695 501 HD21 ASN 65 HD21 ASN 65 15.777 6.739 -5.027 502 HD22 ASN 65 HD22 ASN 65 15.736 7.944 -3.797 503 H ASP 66 HN ASP 66 17.788 3.086 -6.700 504 HA ASP 66 HA ASP 66 20.557 2.984 -7.637 505 HB2 ASP 66 HB2 ASP 66 19.424 1.381 -5.941 506 HB3 ASP 66 HB1 ASP 66 18.594 0.670 -7.313 507 H GLY 67 HN GLY 67 17.733 3.700 -9.171 508 HA2 GLY 67 HA2 GLY 67 17.131 3.777 -11.397 509 HA3 GLY 67 HA1 GLY 67 18.651 2.997 -11.806 510 H LYS 68 HN LYS 68 17.022 1.155 -9.507 511 HA LYS 68 HA LYS 68 16.254 -0.946 -11.311 512 HB2 LYS 68 HB2 LYS 68 15.491 -0.588 -8.380 513 HB3 LYS 68 HB1 LYS 68 15.412 -2.087 -9.291 514 HG2 LYS 68 HG2 LYS 68 18.022 -0.641 -8.741 515 HG3 LYS 68 HG1 LYS 68 17.325 -1.798 -7.618 516 HD2 LYS 68 HD2 LYS 68 18.913 -3.046 -8.814 517 HD3 LYS 68 HD1 LYS 68 17.379 -3.487 -9.555 518 HE2 LYS 68 HE2 LYS 68 19.132 -3.169 -11.240 519 HE3 LYS 68 HE1 LYS 68 17.855 -1.971 -11.440 520 HZ1 LYS 68 HZ1 LYS 68 20.501 -1.515 -10.148 521 HZ2 LYS 68 HZ2 LYS 68 19.283 -0.357 -10.281 522 HZ3 LYS 68 HZ3 LYS 68 20.027 -0.957 -11.675 523 H ALA 69 HN ALA 69 14.704 1.792 -9.881 524 HA ALA 69 HA ALA 69 12.324 1.445 -11.543 525 HB1 ALA 69 HB1 ALA 69 10.823 2.047 -9.637 526 HB2 ALA 69 HB2 ALA 69 12.210 1.993 -8.541 527 HB3 ALA 69 HB3 ALA 69 11.668 0.522 -9.346 528 H THR 70 HN THR 70 11.164 3.492 -11.759 529 HA THR 70 HA THR 70 12.764 5.939 -11.369 530 HB THR 70 HB THR 70 10.009 5.726 -12.708 531 HG1 THR 70 HG1 THR 70 12.573 5.093 -13.677 532 HG21 THR 70 HG21 THR 70 10.765 8.037 -12.145 533 HG22 THR 70 HG22 THR 70 10.690 7.779 -13.894 534 HG23 THR 70 HG23 THR 70 12.245 7.762 -13.055 535 H THR 71 HN THR 71 11.699 7.814 -10.275 536 HA THR 71 HA THR 71 10.716 7.352 -7.740 537 HB THR 71 HB THR 71 9.810 9.752 -7.840 538 HG1 THR 71 HG1 THR 71 10.929 10.653 -9.995 539 HG21 THR 71 HG21 THR 71 12.103 9.314 -7.062 540 HG22 THR 71 HG22 THR 71 12.034 10.808 -8.000 541 HG23 THR 71 HG23 THR 71 12.682 9.340 -8.732 542 H GLU 72 HN GLU 72 8.769 8.351 -10.548 543 HA GLU 72 HA GLU 72 6.225 8.318 -9.675 544 HB2 GLU 72 HB2 GLU 72 5.520 7.697 -11.981 545 HB3 GLU 72 HB1 GLU 72 6.794 8.910 -11.964 546 HG2 GLU 72 HG2 GLU 72 8.461 7.252 -12.563 547 HG3 GLU 72 HG1 GLU 72 7.284 5.949 -12.432 548 H GLN 73 HN GLN 73 8.084 5.426 -10.325 549 HA GLN 73 HA GLN 73 6.082 3.516 -10.700 550 HB2 GLN 73 HB2 GLN 73 8.701 3.408 -11.022 551 HB3 GLN 73 HB1 GLN 73 8.722 2.779 -9.386 552 HG2 GLN 73 HG2 GLN 73 6.973 1.490 -11.477 553 HG3 GLN 73 HG1 GLN 73 8.699 1.149 -11.454 554 HE21 GLN 73 HE21 GLN 73 9.522 -0.152 -9.853 555 HE22 GLN 73 HE22 GLN 73 8.534 -1.042 -8.752 556 H TYR 74 HN TYR 74 7.408 4.812 -7.728 557 HA TYR 74 HA TYR 74 5.509 3.184 -6.127 558 HB2 TYR 74 HB2 TYR 74 8.239 4.254 -5.287 559 HB3 TYR 74 HB1 TYR 74 7.119 3.398 -4.234 560 HD1 TYR 74 HD2 TYR 74 6.293 1.035 -5.309 561 HD2 TYR 74 HD1 TYR 74 10.014 2.950 -6.124 562 HE1 TYR 74 HE2 TYR 74 7.264 -1.130 -5.936 563 HE2 TYR 74 HE1 TYR 74 10.995 0.793 -6.752 564 HH TYR 74 HH TYR 74 10.609 -1.604 -6.318 565 H PHE 75 HN PHE 75 6.325 6.422 -7.088 566 HA PHE 75 HA PHE 75 5.208 7.554 -4.586 567 HB2 PHE 75 HB2 PHE 75 7.298 8.773 -6.429 568 HB3 PHE 75 HB1 PHE 75 6.650 9.537 -4.982 569 HD1 PHE 75 HD1 PHE 75 6.735 7.399 -2.959 570 HD2 PHE 75 HD2 PHE 75 9.577 8.340 -6.009 571 HE1 PHE 75 HE1 PHE 75 8.537 6.421 -1.598 572 HE2 PHE 75 HE2 PHE 75 11.367 7.371 -4.643 573 HZ PHE 75 HZ PHE 75 10.852 6.399 -2.439 574 H VAL 76 HN VAL 76 4.105 6.995 -7.604 575 HA VAL 76 HA VAL 76 2.534 9.532 -7.658 576 HB VAL 76 HB VAL 76 2.680 7.240 -9.675 577 HG11 VAL 76 HG11 VAL 76 0.330 7.981 -9.564 578 HG12 VAL 76 HG12 VAL 76 1.065 8.474 -11.087 579 HG13 VAL 76 HG13 VAL 76 0.831 9.661 -9.800 580 HG21 VAL 76 HG21 VAL 76 4.531 8.864 -9.780 581 HG22 VAL 76 HG22 VAL 76 3.373 10.182 -9.949 582 HG23 VAL 76 HG23 VAL 76 3.519 8.963 -11.219 583 H LEU 77 HN LEU 77 0.374 9.501 -7.075 584 HA LEU 77 HA LEU 77 -0.182 7.860 -4.910 585 HB2 LEU 77 HB2 LEU 77 -2.111 9.610 -6.461 586 HB3 LEU 77 HB1 LEU 77 -2.406 8.946 -4.857 587 HG LEU 77 HG LEU 77 -0.317 11.007 -5.624 588 HD11 LEU 77 HD11 LEU 77 -1.523 12.470 -4.092 589 HD12 LEU 77 HD12 LEU 77 -2.711 11.200 -3.794 590 HD13 LEU 77 HD13 LEU 77 -2.549 11.902 -5.405 591 HD21 LEU 77 HD21 LEU 77 0.352 11.057 -3.232 592 HD22 LEU 77 HD22 LEU 77 0.725 9.523 -4.013 593 HD23 LEU 77 HD23 LEU 77 -0.668 9.644 -2.936 594 H LYS 78 HN LYS 78 -1.385 7.456 -8.261 595 HA LYS 78 HA LYS 78 -3.219 5.333 -7.576 596 HB2 LYS 78 HB2 LYS 78 -3.402 4.926 -9.995 597 HB3 LYS 78 HB1 LYS 78 -3.526 6.646 -9.647 598 HG2 LYS 78 HG2 LYS 78 -1.146 6.928 -10.312 599 HG3 LYS 78 HG1 LYS 78 -1.081 5.214 -10.729 600 HD2 LYS 78 HD2 LYS 78 -2.803 5.572 -12.469 601 HD3 LYS 78 HD1 LYS 78 -2.901 7.281 -12.028 602 HE2 LYS 78 HE2 LYS 78 -0.477 7.526 -12.651 603 HE3 LYS 78 HE1 LYS 78 -0.499 5.848 -13.207 604 HZ1 LYS 78 HZ1 LYS 78 -2.149 8.069 -14.271 605 HZ2 LYS 78 HZ2 LYS 78 -2.244 6.461 -14.783 606 HZ3 LYS 78 HZ3 LYS 78 -0.825 7.343 -15.034 607 H ASN 79 HN ASN 79 0.171 5.493 -8.596 608 HA ASN 79 HA ASN 79 0.634 2.702 -8.976 609 HB2 ASN 79 HB2 ASN 79 2.627 4.920 -8.313 610 HB3 ASN 79 HB1 ASN 79 3.074 3.282 -8.779 611 HD21 ASN 79 HD21 ASN 79 4.205 3.947 -10.580 612 HD22 ASN 79 HD22 ASN 79 3.454 4.597 -11.990 613 H LEU 80 HN LEU 80 1.370 4.902 -6.297 614 HA LEU 80 HA LEU 80 2.390 3.169 -4.398 615 HB2 LEU 80 HB2 LEU 80 2.521 5.641 -4.218 616 HB3 LEU 80 HB1 LEU 80 0.781 5.724 -3.998 617 HG LEU 80 HG LEU 80 1.035 4.456 -1.840 618 HD11 LEU 80 HD11 LEU 80 3.111 3.280 -2.266 619 HD12 LEU 80 HD12 LEU 80 3.227 4.222 -0.783 620 HD13 LEU 80 HD13 LEU 80 4.015 4.798 -2.256 621 HD21 LEU 80 HD21 LEU 80 1.872 6.342 -0.507 622 HD22 LEU 80 HD22 LEU 80 0.817 6.885 -1.810 623 HD23 LEU 80 HD23 LEU 80 2.566 7.072 -1.960 624 H ALA 81 HN ALA 81 -0.990 4.247 -4.965 625 HA ALA 81 HA ALA 81 -2.202 2.856 -2.810 626 HB1 ALA 81 HB1 ALA 81 -3.471 3.672 -5.452 627 HB2 ALA 81 HB2 ALA 81 -3.349 4.690 -4.017 628 HB3 ALA 81 HB3 ALA 81 -4.343 3.231 -3.979 629 H ALA 82 HN ALA 82 -1.404 1.910 -6.127 630 HA ALA 82 HA ALA 82 -2.731 -0.611 -6.129 631 HB1 ALA 82 HB1 ALA 82 -2.081 0.540 -8.218 632 HB2 ALA 82 HB2 ALA 82 -1.391 -1.082 -8.142 633 HB3 ALA 82 HB3 ALA 82 -0.376 0.327 -7.813 634 H ARG 83 HN ARG 83 0.611 0.426 -5.333 635 HA ARG 83 HA ARG 83 1.813 -2.094 -4.932 636 HB2 ARG 83 HB2 ARG 83 2.456 0.512 -3.483 637 HB3 ARG 83 HB1 ARG 83 3.500 -0.897 -3.543 638 HG2 ARG 83 HG2 ARG 83 2.734 0.769 -5.956 639 HG3 ARG 83 HG1 ARG 83 4.206 0.986 -5.014 640 HD2 ARG 83 HD2 ARG 83 4.862 -0.271 -6.899 641 HD3 ARG 83 HD1 ARG 83 4.753 -1.447 -5.594 642 HE ARG 83 HE ARG 83 2.617 -2.166 -6.543 643 HH11 ARG 83 HH11 ARG 83 4.646 -0.264 -8.700 644 HH12 ARG 83 HH12 ARG 83 4.018 -1.017 -10.127 645 HH21 ARG 83 HH21 ARG 83 1.819 -3.131 -8.434 646 HH22 ARG 83 HH22 ARG 83 2.424 -2.620 -9.979 647 H ILE 84 HN ILE 84 0.158 0.079 -2.691 648 HA ILE 84 HA ILE 84 0.481 -1.383 -0.271 649 HB ILE 84 HB ILE 84 -1.677 0.628 -1.076 650 HG12 ILE 84 HG12 ILE 84 0.816 1.231 0.572 651 HG13 ILE 84 HG11 ILE 84 0.787 1.401 -1.178 652 HG21 ILE 84 HG21 ILE 84 -2.037 0.996 1.348 653 HG22 ILE 84 HG22 ILE 84 -0.885 -0.291 1.711 654 HG23 ILE 84 HG23 ILE 84 -2.394 -0.669 0.878 655 HD11 ILE 84 HD11 ILE 84 -0.952 3.087 -1.010 656 HD12 ILE 84 HD12 ILE 84 0.451 3.525 -0.035 657 HD13 ILE 84 HD13 ILE 84 -0.995 2.890 0.745 658 H ASP 85 HN ASP 85 -2.127 -1.114 -2.629 659 HA ASP 85 HA ASP 85 -4.054 -2.792 -1.464 660 HB2 ASP 85 HB2 ASP 85 -4.514 -1.142 -3.267 661 HB3 ASP 85 HB1 ASP 85 -3.630 -2.141 -4.415 662 H GLU 86 HN GLU 86 -1.358 -3.517 -3.601 663 HA GLU 86 HA GLU 86 -1.957 -6.264 -4.102 664 HB2 GLU 86 HB2 GLU 86 0.649 -4.700 -4.233 665 HB3 GLU 86 HB1 GLU 86 0.546 -6.400 -4.664 666 HG2 GLU 86 HG2 GLU 86 -1.008 -5.899 -6.462 667 HG3 GLU 86 HG1 GLU 86 -1.042 -4.202 -5.993 668 H LEU 87 HN LEU 87 -0.142 -4.595 -1.543 669 HA LEU 87 HA LEU 87 0.793 -7.011 -0.262 670 HB2 LEU 87 HB2 LEU 87 0.570 -4.223 0.935 671 HB3 LEU 87 HB1 LEU 87 1.538 -5.555 1.555 672 HG LEU 87 HG LEU 87 2.000 -4.074 -1.057 673 HD11 LEU 87 HD11 LEU 87 3.616 -4.055 1.493 674 HD12 LEU 87 HD12 LEU 87 2.592 -2.754 0.878 675 HD13 LEU 87 HD13 LEU 87 4.030 -3.235 -0.018 676 HD21 LEU 87 HD21 LEU 87 3.626 -6.346 0.120 677 HD22 LEU 87 HD22 LEU 87 4.064 -5.394 -1.302 678 HD23 LEU 87 HD23 LEU 87 2.629 -6.416 -1.333 679 H VAL 88 HN VAL 88 -2.104 -5.079 -0.084 680 HA VAL 88 HA VAL 88 -3.210 -6.348 2.298 681 HB VAL 88 HB VAL 88 -4.549 -4.570 0.192 682 HG11 VAL 88 HG11 VAL 88 -6.213 -5.941 1.410 683 HG12 VAL 88 HG12 VAL 88 -6.351 -4.246 1.874 684 HG13 VAL 88 HG13 VAL 88 -5.554 -5.387 2.956 685 HG21 VAL 88 HG21 VAL 88 -3.455 -3.810 2.936 686 HG22 VAL 88 HG22 VAL 88 -4.290 -2.725 1.821 687 HG23 VAL 88 HG23 VAL 88 -2.717 -3.393 1.387 688 H ALA 89 HN ALA 89 -3.302 -6.657 -1.182 689 HA ALA 89 HA ALA 89 -5.299 -8.675 -1.425 690 HB1 ALA 89 HB1 ALA 89 -4.579 -7.307 -3.364 691 HB2 ALA 89 HB2 ALA 89 -4.393 -9.028 -3.696 692 HB3 ALA 89 HB3 ALA 89 -2.977 -8.048 -3.301 693 H ALA 90 HN ALA 90 -1.853 -8.670 -0.707 694 HA ALA 90 HA ALA 90 -1.359 -11.469 -0.839 695 HB1 ALA 90 HB1 ALA 90 0.460 -9.805 -0.793 696 HB2 ALA 90 HB2 ALA 90 0.643 -10.951 0.532 697 HB3 ALA 90 HB3 ALA 90 0.016 -9.332 0.851 698 H LYS 91 HN LYS 91 -1.928 -9.363 2.049 699 HA LYS 91 HA LYS 91 -2.622 -11.114 3.990 700 HB2 LYS 91 HB2 LYS 91 -2.601 -8.722 4.381 701 HB3 LYS 91 HB1 LYS 91 -3.956 -8.466 3.293 702 HG2 LYS 91 HG2 LYS 91 -5.459 -9.621 4.861 703 HG3 LYS 91 HG1 LYS 91 -4.107 -9.941 5.949 704 HD2 LYS 91 HD2 LYS 91 -5.120 -7.173 5.174 705 HD3 LYS 91 HD1 LYS 91 -5.517 -8.019 6.675 706 HE2 LYS 91 HE2 LYS 91 -2.750 -7.139 5.798 707 HE3 LYS 91 HE1 LYS 91 -3.731 -6.377 7.046 708 HZ1 LYS 91 HZ1 LYS 91 -2.088 -7.782 8.039 709 HZ2 LYS 91 HZ2 LYS 91 -2.590 -9.121 7.134 710 HZ3 LYS 91 HZ3 LYS 91 -3.614 -8.458 8.308 711 H GLY 92 HN GLY 92 -4.560 -10.475 1.123 712 HA2 GLY 92 HA2 GLY 92 -6.922 -11.873 2.143 713 HA3 GLY 92 HA1 GLY 92 -6.729 -11.118 0.565 714 H ALA 93 HN ALA 93 -4.217 -12.362 -0.075 715 HA ALA 93 HA ALA 93 -5.350 -14.605 -1.492 716 HB1 ALA 93 HB1 ALA 93 -3.219 -14.614 -2.718 717 HB2 ALA 93 HB2 ALA 93 -2.528 -13.470 -1.561 718 HB3 ALA 93 HB3 ALA 93 -3.873 -12.983 -2.598 719 H LEU 94 HN LEU 94 -3.153 -14.288 1.276 720 HA LEU 94 HA LEU 94 -2.109 -16.991 0.946 721 HB2 LEU 94 HB2 LEU 94 -1.565 -14.927 3.111 722 HB3 LEU 94 HB1 LEU 94 -0.745 -16.471 2.938 723 HG LEU 94 HG LEU 94 -0.512 -14.026 1.147 724 HD11 LEU 94 HD11 LEU 94 1.874 -14.162 1.713 725 HD12 LEU 94 HD12 LEU 94 1.566 -15.571 2.729 726 HD13 LEU 94 HD13 LEU 94 0.870 -14.007 3.156 727 HD21 LEU 94 HD21 LEU 94 -0.687 -15.947 -0.352 728 HD22 LEU 94 HD22 LEU 94 0.572 -16.797 0.545 729 HD23 LEU 94 HD23 LEU 94 0.964 -15.326 -0.347 730 H GLU 95 HN GLU 95 -4.045 -18.081 1.143 731 HA GLU 95 HA GLU 95 -5.409 -18.187 3.728 732 HB2 GLU 95 HB2 GLU 95 -5.904 -19.725 1.130 733 HB3 GLU 95 HB1 GLU 95 -6.943 -19.761 2.553 734 HG2 GLU 95 HG2 GLU 95 -7.562 -17.465 2.280 735 HG3 GLU 95 HG1 GLU 95 -6.327 -17.200 1.052 736 H HIS 96 HN HIS 96 -5.946 -20.813 4.094 737 HA HIS 96 HA HIS 96 -3.565 -21.742 5.347 738 HB2 HIS 96 HB2 HIS 96 -6.190 -23.217 4.888 739 HB3 HIS 96 HB1 HIS 96 -4.910 -23.736 5.981 740 HD1 HIS 96 HD1 HIS 96 -5.160 -22.958 8.347 741 HD2 HIS 96 HD2 HIS 96 -7.349 -20.615 5.706 742 HE1 HIS 96 HE1 HIS 96 -6.459 -21.369 9.791 743 HE2 HIS 96 HE2 HIS 96 -7.607 -19.829 8.160 744 H HIS 97 HN HIS 97 -1.952 -22.180 4.016 745 HA HIS 97 HA HIS 97 -0.505 -23.315 2.762 746 HB2 HIS 97 HB2 HIS 97 -1.732 -25.365 3.683 747 HB3 HIS 97 HB1 HIS 97 -2.630 -25.411 2.175 748 HD1 HIS 97 HD1 HIS 97 0.815 -25.957 3.590 749 HD2 HIS 97 HD2 HIS 97 -1.239 -26.543 0.026 750 HE1 HIS 97 HE1 HIS 97 2.297 -27.423 2.187 751 HE2 HIS 97 HE2 HIS 97 1.128 -27.563 -0.041 752 H HIS 98 HN HIS 98 -3.052 -21.695 1.661 753 HA HIS 98 HA HIS 98 -2.666 -22.172 -1.233 754 HB2 HIS 98 HB2 HIS 98 -4.778 -20.547 0.258 755 HB3 HIS 98 HB1 HIS 98 -4.663 -20.641 -1.494 756 HD1 HIS 98 HD1 HIS 98 -5.954 -22.447 1.467 757 HD2 HIS 98 HD2 HIS 98 -5.408 -23.160 -2.587 758 HE1 HIS 98 HE1 HIS 98 -7.399 -24.431 0.928 759 HE2 HIS 98 HE2 HIS 98 -7.183 -24.727 -1.566 760 H HIS 99 HN HIS 99 -1.518 -20.744 -2.431 761 HA HIS 99 HA HIS 99 -0.936 -18.042 -1.360 762 HB2 HIS 99 HB2 HIS 99 0.840 -19.678 -3.236 763 HB3 HIS 99 HB1 HIS 99 1.214 -18.098 -2.547 764 HD1 HIS 99 HD1 HIS 99 1.578 -21.673 -1.912 765 HD2 HIS 99 HD2 HIS 99 1.558 -18.204 0.377 766 HE1 HIS 99 HE1 HIS 99 2.572 -22.320 0.302 767 HE2 HIS 99 HE2 HIS 99 2.343 -20.255 1.732 768 H HIS 100 HN HIS 100 -2.857 -17.357 -2.276 769 HA HIS 100 HA HIS 100 -4.036 -16.111 -3.710 770 HB2 HIS 100 HB2 HIS 100 -2.009 -15.239 -4.787 771 HB3 HIS 100 HB1 HIS 100 -1.913 -16.666 -5.815 772 HD1 HIS 100 HD1 HIS 100 -2.766 -16.222 -8.103 773 HD2 HIS 100 HD2 HIS 100 -4.764 -13.914 -5.277 774 HE1 HIS 100 HE1 HIS 100 -4.466 -14.881 -9.396 775 HE2 HIS 100 HE2 HIS 100 -5.600 -13.436 -7.664 776 H HIS 101 HN HIS 101 -2.901 -19.197 -5.151 777 HA HIS 101 HA HIS 101 -3.912 -20.843 -6.293 778 HB2 HIS 101 HB2 HIS 101 -5.549 -21.023 -4.514 779 HB3 HIS 101 HB1 HIS 101 -6.440 -19.635 -5.102 780 HD1 HIS 101 HD1 HIS 101 -5.597 -23.151 -6.318 781 HD2 HIS 101 HD2 HIS 101 -8.615 -20.299 -6.571 782 HE1 HIS 101 HE1 HIS 101 -7.450 -24.239 -7.631 783 HE2 HIS 101 HE2 HIS 101 -9.300 -22.526 -7.689 784 H282 PNS 102 H282 PNS 102 15.332 13.267 4.293 785 H281 PNS 102 H281 PNS 102 16.609 12.473 3.357 786 H303 PNS 102 H303 PNS 102 16.525 16.778 3.701 787 H302 PNS 102 H302 PNS 102 15.299 15.968 2.716 788 H301 PNS 102 H301 PNS 102 15.276 15.801 4.474 789 H313 PNS 102 H313 PNS 102 18.340 13.886 2.122 790 H312 PNS 102 H312 PNS 102 17.066 14.831 1.344 791 H311 PNS 102 H311 PNS 102 18.331 15.640 2.275 792 H32 PNS 102 H32 PNS 102 18.373 15.433 4.830 793 H33 PNS 102 H33 PNS 102 16.810 13.735 6.350 794 H36 PNS 102 H36 PNS 102 19.863 14.070 3.484 795 H372 PNS 102 H372 PNS 102 20.123 11.247 3.838 796 H371 PNS 102 H371 PNS 102 21.308 12.348 3.135 797 H382 PNS 102 H382 PNS 102 21.021 11.450 5.990 798 H381 PNS 102 H381 PNS 102 22.470 11.582 5.006 799 H41 PNS 102 H41 PNS 102 22.890 15.145 5.800 800 H422 PNS 102 H422 PNS 102 24.078 13.173 4.168 801 H421 PNS 102 H421 PNS 102 22.735 13.912 3.289 802 H431 PNS 102 H431 PNS 102 25.115 15.358 4.470 803 H432 PNS 102 H432 PNS 102 23.745 16.133 3.662 804 H44 PNS 102 H44 PNS 102 24.277 14.480 1.282 Start of MODEL 3 1 H1 MET 1 HT1 MET 1 -16.348 -1.819 -0.071 2 H2 MET 1 HT2 MET 1 -16.375 -0.466 -1.074 3 H3 MET 1 HT3 MET 1 -17.720 -0.834 -0.119 4 HA MET 1 HA MET 1 -16.504 0.993 0.838 5 HB2 MET 1 HB2 MET 1 -16.249 -1.604 2.407 6 HB3 MET 1 HB1 MET 1 -16.044 -0.009 3.118 7 HG2 MET 1 HG2 MET 1 -18.252 -0.876 3.617 8 HG3 MET 1 HG1 MET 1 -18.390 0.531 2.562 9 HE1 MET 1 HE1 MET 1 -21.427 -1.606 1.338 10 HE2 MET 1 HE2 MET 1 -20.886 -0.008 1.858 11 HE3 MET 1 HE3 MET 1 -20.867 -1.360 2.994 12 H THR 2 HN THR 2 -14.581 1.644 2.051 13 HA THR 2 HA THR 2 -12.434 2.293 2.018 14 HB THR 2 HB THR 2 -10.766 0.524 2.635 15 HG1 THR 2 HG1 THR 2 -12.137 -1.150 1.357 16 HG21 THR 2 HG21 THR 2 -13.397 0.347 4.155 17 HG22 THR 2 HG22 THR 2 -12.142 1.564 4.412 18 HG23 THR 2 HG23 THR 2 -11.818 -0.133 4.774 19 H SER 3 HN SER 3 -12.510 3.094 -0.174 20 HA SER 3 HA SER 3 -11.041 1.699 -2.241 21 HB2 SER 3 HB2 SER 3 -12.629 3.417 -2.916 22 HB3 SER 3 HB1 SER 3 -11.854 4.618 -1.883 23 HG SER 3 HG SER 3 -11.359 4.538 -4.266 24 H THR 4 HN THR 4 -8.834 1.593 -2.379 25 HA THR 4 HA THR 4 -7.250 2.162 -0.141 26 HB THR 4 HB THR 4 -6.247 1.651 -2.974 27 HG1 THR 4 HG1 THR 4 -7.014 -0.119 -0.869 28 HG21 THR 4 HG21 THR 4 -4.270 0.680 -1.828 29 HG22 THR 4 HG22 THR 4 -4.920 1.182 -0.269 30 HG23 THR 4 HG23 THR 4 -4.443 2.395 -1.458 31 H PHE 5 HN PHE 5 -7.348 3.888 -3.322 32 HA PHE 5 HA PHE 5 -5.475 5.896 -2.682 33 HB2 PHE 5 HB2 PHE 5 -6.064 5.679 -5.009 34 HB3 PHE 5 HB1 PHE 5 -7.776 5.928 -4.681 35 HD1 PHE 5 HD1 PHE 5 -4.462 7.699 -4.380 36 HD2 PHE 5 HD2 PHE 5 -8.686 8.105 -4.944 37 HE1 PHE 5 HE1 PHE 5 -4.208 10.128 -4.642 38 HE2 PHE 5 HE2 PHE 5 -8.412 10.530 -5.227 39 HZ PHE 5 HZ PHE 5 -6.176 11.544 -5.065 40 H ASP 6 HN ASP 6 -9.016 5.815 -2.209 41 HA ASP 6 HA ASP 6 -9.380 8.473 -1.340 42 HB2 ASP 6 HB2 ASP 6 -11.299 7.084 -1.943 43 HB3 ASP 6 HB1 ASP 6 -10.962 5.966 -0.627 44 H ARG 7 HN ARG 7 -8.703 5.514 0.473 45 HA ARG 7 HA ARG 7 -8.659 6.511 3.086 46 HB2 ARG 7 HB2 ARG 7 -7.129 4.227 1.798 47 HB3 ARG 7 HB1 ARG 7 -7.106 4.532 3.533 48 HG2 ARG 7 HG2 ARG 7 -9.650 3.975 1.965 49 HG3 ARG 7 HG1 ARG 7 -8.692 2.721 2.757 50 HD2 ARG 7 HD2 ARG 7 -10.009 5.085 4.158 51 HD3 ARG 7 HD1 ARG 7 -10.601 3.420 4.157 52 HE ARG 7 HE ARG 7 -8.026 3.257 5.096 53 HH11 ARG 7 HH11 ARG 7 -10.918 4.943 6.157 54 HH12 ARG 7 HH12 ARG 7 -10.487 4.866 7.834 55 HH21 ARG 7 HH21 ARG 7 -7.481 3.156 7.287 56 HH22 ARG 7 HH22 ARG 7 -8.538 3.848 8.475 57 H VAL 8 HN VAL 8 -5.980 6.078 0.761 58 HA VAL 8 HA VAL 8 -3.865 7.046 2.356 59 HB VAL 8 HB VAL 8 -4.144 6.831 -0.678 60 HG11 VAL 8 HG11 VAL 8 -1.665 6.991 -0.807 61 HG12 VAL 8 HG12 VAL 8 -1.596 7.357 0.916 62 HG13 VAL 8 HG13 VAL 8 -2.373 8.487 -0.194 63 HG21 VAL 8 HG21 VAL 8 -2.805 4.780 -0.409 64 HG22 VAL 8 HG22 VAL 8 -4.288 4.690 0.545 65 HG23 VAL 8 HG23 VAL 8 -2.746 5.035 1.337 66 H ALA 9 HN ALA 9 -5.960 8.677 0.021 67 HA ALA 9 HA ALA 9 -4.705 11.171 -0.123 68 HB1 ALA 9 HB1 ALA 9 -6.857 11.936 -1.089 69 HB2 ALA 9 HB2 ALA 9 -7.630 10.444 -0.548 70 HB3 ALA 9 HB3 ALA 9 -6.362 10.385 -1.774 71 H THR 10 HN THR 10 -7.409 10.003 1.856 72 HA THR 10 HA THR 10 -7.867 12.279 3.437 73 HB THR 10 HB THR 10 -8.300 9.340 4.157 74 HG1 THR 10 HG1 THR 10 -9.892 9.445 2.763 75 HG21 THR 10 HG21 THR 10 -10.052 10.151 5.694 76 HG22 THR 10 HG22 THR 10 -9.645 11.822 5.298 77 HG23 THR 10 HG23 THR 10 -8.475 10.809 6.150 78 H ILE 11 HN ILE 11 -5.695 9.485 3.896 79 HA ILE 11 HA ILE 11 -4.647 10.055 6.415 80 HB ILE 11 HB ILE 11 -3.536 8.515 4.040 81 HG12 ILE 11 HG12 ILE 11 -4.423 7.581 6.808 82 HG13 ILE 11 HG11 ILE 11 -5.419 7.529 5.361 83 HG21 ILE 11 HG21 ILE 11 -2.086 8.832 6.693 84 HG22 ILE 11 HG22 ILE 11 -1.526 9.390 5.115 85 HG23 ILE 11 HG23 ILE 11 -1.664 7.663 5.438 86 HD11 ILE 11 HD11 ILE 11 -2.878 5.968 5.823 87 HD12 ILE 11 HD12 ILE 11 -3.859 5.919 4.356 88 HD13 ILE 11 HD13 ILE 11 -4.525 5.342 5.885 89 H ILE 12 HN ILE 12 -3.475 11.144 3.191 90 HA ILE 12 HA ILE 12 -1.109 12.401 4.154 91 HB ILE 12 HB ILE 12 -2.640 12.821 1.548 92 HG12 ILE 12 HG12 ILE 12 -0.161 11.137 2.106 93 HG13 ILE 12 HG11 ILE 12 -1.782 10.496 1.878 94 HG21 ILE 12 HG21 ILE 12 -0.577 13.826 0.627 95 HG22 ILE 12 HG22 ILE 12 0.187 13.715 2.212 96 HG23 ILE 12 HG23 ILE 12 -1.203 14.773 1.978 97 HD11 ILE 12 HD11 ILE 12 -0.454 10.210 -0.119 98 HD12 ILE 12 HD12 ILE 12 -0.127 11.940 -0.196 99 HD13 ILE 12 HD13 ILE 12 -1.770 11.340 -0.438 100 H ALA 13 HN ALA 13 -4.360 13.570 3.360 101 HA ALA 13 HA ALA 13 -4.095 16.277 3.920 102 HB1 ALA 13 HB1 ALA 13 -6.531 14.529 4.378 103 HB2 ALA 13 HB2 ALA 13 -6.081 15.298 2.855 104 HB3 ALA 13 HB3 ALA 13 -6.531 16.291 4.243 105 H GLU 14 HN GLU 14 -4.619 13.571 6.195 106 HA GLU 14 HA GLU 14 -4.797 15.299 8.516 107 HB2 GLU 14 HB2 GLU 14 -4.494 12.277 8.307 108 HB3 GLU 14 HB1 GLU 14 -4.827 13.164 9.796 109 HG2 GLU 14 HG2 GLU 14 -6.640 13.031 7.361 110 HG3 GLU 14 HG1 GLU 14 -6.862 12.132 8.857 111 H THR 15 HN THR 15 -2.219 13.552 6.864 112 HA THR 15 HA THR 15 -0.411 13.460 9.106 113 HB THR 15 HB THR 15 0.079 12.843 6.157 114 HG1 THR 15 HG1 THR 15 -1.415 11.519 7.581 115 HG21 THR 15 HG21 THR 15 2.099 11.620 6.933 116 HG22 THR 15 HG22 THR 15 1.836 12.220 8.570 117 HG23 THR 15 HG23 THR 15 2.229 13.347 7.268 118 H CYS 16 HN CYS 16 -0.196 15.128 5.882 119 HA CYS 16 HA CYS 16 1.829 16.967 7.028 120 HB2 CYS 16 HB2 CYS 16 1.431 16.109 4.119 121 HB3 CYS 16 HB1 CYS 16 2.731 17.128 4.739 122 HG CYS 16 HG CYS 16 3.733 14.999 6.396 123 H ASP 17 HN ASP 17 -1.317 16.983 6.601 124 HA ASP 17 HA ASP 17 -3.016 18.228 5.833 125 HB2 ASP 17 HB2 ASP 17 -2.135 19.576 7.738 126 HB3 ASP 17 HB1 ASP 17 -1.170 20.523 6.607 127 H ILE 18 HN ILE 18 -2.604 17.405 3.664 128 HA ILE 18 HA ILE 18 -2.025 19.565 1.718 129 HB ILE 18 HB ILE 18 -1.923 16.546 1.244 130 HG12 ILE 18 HG12 ILE 18 -0.033 17.305 2.675 131 HG13 ILE 18 HG11 ILE 18 0.526 16.773 1.097 132 HG21 ILE 18 HG21 ILE 18 -2.566 17.759 -0.801 133 HG22 ILE 18 HG22 ILE 18 -0.940 17.097 -0.967 134 HG23 ILE 18 HG23 ILE 18 -1.161 18.817 -0.643 135 HD11 ILE 18 HD11 ILE 18 1.737 18.731 1.837 136 HD12 ILE 18 HD12 ILE 18 0.238 19.644 1.996 137 HD13 ILE 18 HD13 ILE 18 0.787 19.117 0.403 138 HA PRO 19 HA PRO 19 -6.526 19.547 1.248 139 HB2 PRO 19 HB2 PRO 19 -5.913 20.823 -1.419 140 HB3 PRO 19 HB1 PRO 19 -6.977 21.386 -0.121 141 HG2 PRO 19 HG2 PRO 19 -4.625 22.552 -0.501 142 HG3 PRO 19 HG1 PRO 19 -5.193 22.227 1.153 143 HD2 PRO 19 HD2 PRO 19 -3.175 20.689 -0.499 144 HD3 PRO 19 HD1 PRO 19 -3.100 21.166 1.214 145 H ARG 20 HN ARG 20 -7.899 18.027 0.476 146 HA ARG 20 HA ARG 20 -7.189 15.848 -1.092 147 HB2 ARG 20 HB2 ARG 20 -9.091 15.846 0.484 148 HB3 ARG 20 HB1 ARG 20 -9.960 16.991 -0.526 149 HG2 ARG 20 HG2 ARG 20 -10.912 14.798 -0.845 150 HG3 ARG 20 HG1 ARG 20 -10.080 15.269 -2.329 151 HD2 ARG 20 HD2 ARG 20 -8.141 13.863 -1.649 152 HD3 ARG 20 HD1 ARG 20 -9.032 13.362 -0.206 153 HE ARG 20 HE ARG 20 -9.897 12.784 -2.991 154 HH11 ARG 20 HH11 ARG 20 -9.655 11.744 0.366 155 HH12 ARG 20 HH12 ARG 20 -10.440 10.230 0.064 156 HH21 ARG 20 HH21 ARG 20 -10.917 10.783 -3.347 157 HH22 ARG 20 HH22 ARG 20 -11.164 9.698 -2.016 158 H GLU 21 HN GLU 21 -8.351 19.020 -2.136 159 HA GLU 21 HA GLU 21 -9.162 18.291 -4.780 160 HB2 GLU 21 HB2 GLU 21 -9.223 20.717 -5.203 161 HB3 GLU 21 HB1 GLU 21 -9.988 20.341 -3.664 162 HG2 GLU 21 HG2 GLU 21 -7.915 21.052 -2.489 163 HG3 GLU 21 HG1 GLU 21 -7.203 21.490 -4.039 164 H THR 22 HN THR 22 -6.101 19.228 -3.295 165 HA THR 22 HA THR 22 -4.678 19.183 -5.873 166 HB THR 22 HB THR 22 -2.673 19.849 -4.472 167 HG1 THR 22 HG1 THR 22 -3.666 18.946 -2.487 168 HG21 THR 22 HG21 THR 22 -3.408 22.179 -4.049 169 HG22 THR 22 HG22 THR 22 -5.093 21.685 -4.201 170 HG23 THR 22 HG23 THR 22 -4.019 21.599 -5.598 171 H ILE 23 HN ILE 23 -5.856 16.830 -4.087 172 HA ILE 23 HA ILE 23 -3.483 15.061 -4.354 173 HB ILE 23 HB ILE 23 -5.922 14.741 -2.520 174 HG12 ILE 23 HG12 ILE 23 -2.973 15.115 -1.815 175 HG13 ILE 23 HG11 ILE 23 -4.208 16.361 -1.680 176 HG21 ILE 23 HG21 ILE 23 -5.252 12.548 -3.410 177 HG22 ILE 23 HG22 ILE 23 -4.846 12.669 -1.700 178 HG23 ILE 23 HG23 ILE 23 -3.585 12.839 -2.916 179 HD11 ILE 23 HD11 ILE 23 -4.110 13.787 -0.105 180 HD12 ILE 23 HD12 ILE 23 -5.354 15.037 0.033 181 HD13 ILE 23 HD13 ILE 23 -3.684 15.398 0.474 182 H THR 24 HN THR 24 -3.821 14.634 -6.537 183 HA THR 24 HA THR 24 -6.304 13.217 -7.336 184 HB THR 24 HB THR 24 -5.486 13.508 -9.678 185 HG1 THR 24 HG1 THR 24 -3.155 13.979 -8.491 186 HG21 THR 24 HG21 THR 24 -6.904 15.306 -8.740 187 HG22 THR 24 HG22 THR 24 -5.719 15.960 -9.871 188 HG23 THR 24 HG23 THR 24 -5.469 16.133 -8.132 189 HA PRO 25 HA PRO 25 -4.074 9.285 -7.336 190 HB2 PRO 25 HB2 PRO 25 -4.975 8.053 -9.656 191 HB3 PRO 25 HB1 PRO 25 -5.923 8.149 -8.165 192 HG2 PRO 25 HG2 PRO 25 -6.048 9.923 -10.604 193 HG3 PRO 25 HG1 PRO 25 -7.386 9.198 -9.684 194 HD2 PRO 25 HD2 PRO 25 -6.700 11.765 -9.310 195 HD3 PRO 25 HD1 PRO 25 -7.188 10.751 -7.929 196 H GLU 26 HN GLU 26 -3.723 11.577 -9.952 197 HA GLU 26 HA GLU 26 -1.412 10.202 -11.135 198 HB2 GLU 26 HB2 GLU 26 -1.628 11.907 -12.929 199 HB3 GLU 26 HB1 GLU 26 -3.124 11.006 -12.697 200 HG2 GLU 26 HG2 GLU 26 -4.020 12.919 -11.356 201 HG3 GLU 26 HG1 GLU 26 -2.551 13.825 -11.721 202 H SER 27 HN SER 27 -1.785 11.945 -8.476 203 HA SER 27 HA SER 27 0.207 14.041 -8.784 204 HB2 SER 27 HB2 SER 27 -1.242 12.952 -6.325 205 HB3 SER 27 HB1 SER 27 -0.062 14.266 -6.261 206 HG SER 27 HG SER 27 -1.423 15.573 -7.276 207 H HIS 28 HN HIS 28 2.341 13.858 -8.345 208 HA HIS 28 HA HIS 28 3.473 11.373 -7.272 209 HB2 HIS 28 HB2 HIS 28 4.419 12.542 -9.322 210 HB3 HIS 28 HB1 HIS 28 4.906 13.874 -8.273 211 HD2 HIS 28 HD2 HIS 28 6.137 10.520 -9.485 212 HE1 HIS 28 HE1 HIS 28 8.678 11.664 -6.322 213 HE2 HIS 28 HE2 HIS 28 8.447 10.221 -8.375 214 H ALA 29 HN ALA 29 4.062 11.261 -5.141 215 HA ALA 29 HA ALA 29 3.478 12.916 -3.126 216 HB1 ALA 29 HB1 ALA 29 5.891 11.074 -3.205 217 HB2 ALA 29 HB2 ALA 29 4.228 10.586 -2.859 218 HB3 ALA 29 HB3 ALA 29 5.077 11.665 -1.751 219 H ILE 30 HN ILE 30 6.471 13.160 -5.049 220 HA ILE 30 HA ILE 30 7.563 15.140 -3.133 221 HB ILE 30 HB ILE 30 9.071 13.438 -5.181 222 HG12 ILE 30 HG12 ILE 30 8.866 13.123 -2.148 223 HG13 ILE 30 HG11 ILE 30 8.176 12.033 -3.348 224 HG21 ILE 30 HG21 ILE 30 10.170 15.268 -3.008 225 HG22 ILE 30 HG22 ILE 30 10.235 15.563 -4.748 226 HG23 ILE 30 HG23 ILE 30 11.131 14.214 -4.048 227 HD11 ILE 30 HD11 ILE 30 10.182 11.117 -2.355 228 HD12 ILE 30 HD12 ILE 30 11.116 12.521 -2.863 229 HD13 ILE 30 HD13 ILE 30 10.441 11.423 -4.073 230 H ASP 31 HN ASP 31 7.036 14.420 -6.574 231 HA ASP 31 HA ASP 31 8.223 16.869 -7.543 232 HB2 ASP 31 HB2 ASP 31 8.409 14.776 -8.840 233 HB3 ASP 31 HB1 ASP 31 6.657 14.694 -9.002 234 H ASP 32 HN ASP 32 4.916 15.733 -6.936 235 HA ASP 32 HA ASP 32 3.802 18.229 -8.084 236 HB2 ASP 32 HB2 ASP 32 2.809 16.242 -9.041 237 HB3 ASP 32 HB1 ASP 32 2.516 15.547 -7.449 238 H LEU 33 HN LEU 33 3.183 16.083 -5.269 239 HA LEU 33 HA LEU 33 1.580 17.931 -3.840 240 HB2 LEU 33 HB2 LEU 33 3.071 15.479 -2.836 241 HB3 LEU 33 HB1 LEU 33 1.827 16.334 -1.936 242 HG LEU 33 HG LEU 33 1.411 14.771 -4.520 243 HD11 LEU 33 HD11 LEU 33 0.545 14.124 -1.680 244 HD12 LEU 33 HD12 LEU 33 1.816 13.314 -2.600 245 HD13 LEU 33 HD13 LEU 33 0.144 13.198 -3.132 246 HD21 LEU 33 HD21 LEU 33 -0.998 15.179 -4.178 247 HD22 LEU 33 HD22 LEU 33 -0.114 16.676 -4.437 248 HD23 LEU 33 HD23 LEU 33 -0.630 16.233 -2.807 249 H GLY 34 HN GLY 34 5.001 17.628 -4.133 250 HA2 GLY 34 HA2 GLY 34 6.783 18.719 -3.208 251 HA3 GLY 34 HA1 GLY 34 5.635 19.890 -2.580 252 H ILE 35 HN ILE 35 5.857 16.460 -1.881 253 HA ILE 35 HA ILE 35 6.332 16.981 0.997 254 HB ILE 35 HB ILE 35 5.106 14.557 -0.414 255 HG12 ILE 35 HG12 ILE 35 3.733 16.589 1.401 256 HG13 ILE 35 HG11 ILE 35 3.615 16.579 -0.358 257 HG21 ILE 35 HG21 ILE 35 4.594 13.676 1.839 258 HG22 ILE 35 HG22 ILE 35 5.462 15.027 2.564 259 HG23 ILE 35 HG23 ILE 35 6.331 13.844 1.586 260 HD11 ILE 35 HD11 ILE 35 2.629 14.439 1.522 261 HD12 ILE 35 HD12 ILE 35 2.567 14.349 -0.242 262 HD13 ILE 35 HD13 ILE 35 1.653 15.592 0.612 263 H ASP 36 HN ASP 36 8.339 16.328 1.749 264 HA ASP 36 HA ASP 36 10.180 14.951 -0.015 265 HB2 ASP 36 HB2 ASP 36 10.423 15.942 2.846 266 HB3 ASP 36 HB1 ASP 36 11.678 14.938 2.123 267 H SER 37 HN SER 37 11.233 12.984 0.489 268 HA SER 37 HA SER 37 9.628 10.789 1.088 269 HB2 SER 37 HB2 SER 37 11.911 9.584 1.259 270 HB3 SER 37 HB1 SER 37 11.591 10.471 -0.243 271 H LEU 38 HN LEU 38 11.470 12.859 3.221 272 HA LEU 38 HA LEU 38 11.592 11.271 5.557 273 HB2 LEU 38 HB2 LEU 38 11.531 14.289 5.189 274 HB3 LEU 38 HB1 LEU 38 11.720 13.537 6.762 275 HG LEU 38 HG LEU 38 13.888 14.232 6.013 276 HD11 LEU 38 HD11 LEU 38 13.694 11.229 5.688 277 HD12 LEU 38 HD12 LEU 38 13.838 12.112 7.211 278 HD13 LEU 38 HD13 LEU 38 15.160 12.150 6.045 279 HD21 LEU 38 HD21 LEU 38 13.457 12.662 3.455 280 HD22 LEU 38 HD22 LEU 38 14.941 13.500 3.924 281 HD23 LEU 38 HD23 LEU 38 13.470 14.421 3.614 282 H ASP 39 HN ASP 39 9.157 13.615 4.437 283 HA ASP 39 HA ASP 39 7.328 13.242 6.633 284 HB2 ASP 39 HB2 ASP 39 6.788 14.389 3.862 285 HB3 ASP 39 HB1 ASP 39 5.779 14.615 5.289 286 H PHE 40 HN PHE 40 7.857 11.838 3.490 287 HA PHE 40 HA PHE 40 5.357 10.508 3.154 288 HB2 PHE 40 HB2 PHE 40 6.955 11.204 1.300 289 HB3 PHE 40 HB1 PHE 40 8.025 9.904 1.806 290 HD1 PHE 40 HD1 PHE 40 4.409 10.380 0.895 291 HD2 PHE 40 HD2 PHE 40 7.895 7.923 0.551 292 HE1 PHE 40 HE1 PHE 40 3.202 8.868 -0.613 293 HE2 PHE 40 HE2 PHE 40 6.673 6.416 -0.962 294 HZ PHE 40 HZ PHE 40 4.332 6.893 -1.544 295 H LEU 41 HN LEU 41 8.331 9.751 4.870 296 HA LEU 41 HA LEU 41 8.064 6.987 5.331 297 HB2 LEU 41 HB2 LEU 41 8.994 9.140 7.283 298 HB3 LEU 41 HB1 LEU 41 9.246 7.415 7.502 299 HG LEU 41 HG LEU 41 10.477 9.114 5.305 300 HD11 LEU 41 HD11 LEU 41 12.604 8.783 6.480 301 HD12 LEU 41 HD12 LEU 41 11.763 7.940 7.784 302 HD13 LEU 41 HD13 LEU 41 11.436 9.647 7.477 303 HD21 LEU 41 HD21 LEU 41 10.918 6.178 5.943 304 HD22 LEU 41 HD22 LEU 41 11.833 7.124 4.762 305 HD23 LEU 41 HD23 LEU 41 10.113 6.835 4.512 306 H ASP 42 HN ASP 42 6.732 9.772 7.130 307 HA ASP 42 HA ASP 42 5.293 8.224 9.068 308 HB2 ASP 42 HB2 ASP 42 6.158 10.597 9.416 309 HB3 ASP 42 HB1 ASP 42 4.851 11.167 8.385 310 H ILE 43 HN ILE 43 4.427 9.784 6.001 311 HA ILE 43 HA ILE 43 1.658 9.295 5.971 312 HB ILE 43 HB ILE 43 3.635 9.302 3.641 313 HG12 ILE 43 HG12 ILE 43 1.775 11.485 4.693 314 HG13 ILE 43 HG11 ILE 43 3.529 11.461 4.834 315 HG21 ILE 43 HG21 ILE 43 0.594 9.399 3.493 316 HG22 ILE 43 HG22 ILE 43 1.623 8.068 2.955 317 HG23 ILE 43 HG23 ILE 43 1.696 9.623 2.130 318 HD11 ILE 43 HD11 ILE 43 1.934 11.730 2.286 319 HD12 ILE 43 HD12 ILE 43 3.695 11.635 2.375 320 HD13 ILE 43 HD13 ILE 43 2.845 12.996 3.109 321 H ALA 44 HN ALA 44 4.417 7.188 5.117 322 HA ALA 44 HA ALA 44 2.852 5.075 4.010 323 HB1 ALA 44 HB1 ALA 44 5.737 5.063 4.980 324 HB2 ALA 44 HB2 ALA 44 5.197 5.448 3.344 325 HB3 ALA 44 HB3 ALA 44 4.971 3.817 3.985 326 H PHE 45 HN PHE 45 4.226 5.797 7.188 327 HA PHE 45 HA PHE 45 3.743 3.284 8.460 328 HB2 PHE 45 HB2 PHE 45 4.463 6.062 9.400 329 HB3 PHE 45 HB1 PHE 45 3.794 4.964 10.600 330 HD1 PHE 45 HD2 PHE 45 6.354 4.745 7.829 331 HD2 PHE 45 HD1 PHE 45 5.372 3.893 11.909 332 HE1 PHE 45 HE2 PHE 45 8.576 3.744 8.158 333 HE2 PHE 45 HE1 PHE 45 7.597 2.898 12.223 334 HZ PHE 45 HZ PHE 45 9.207 2.825 10.357 335 H ALA 46 HN ALA 46 1.838 6.240 8.110 336 HA ALA 46 HA ALA 46 -0.338 5.517 9.817 337 HB1 ALA 46 HB1 ALA 46 -1.537 7.359 8.698 338 HB2 ALA 46 HB2 ALA 46 -0.274 7.440 7.465 339 HB3 ALA 46 HB3 ALA 46 0.101 7.842 9.140 340 H ILE 47 HN ILE 47 0.355 5.088 6.382 341 HA ILE 47 HA ILE 47 -2.039 3.814 5.556 342 HB ILE 47 HB ILE 47 0.819 3.740 4.508 343 HG12 ILE 47 HG12 ILE 47 -1.659 5.064 3.327 344 HG13 ILE 47 HG11 ILE 47 -0.483 5.900 4.336 345 HG21 ILE 47 HG21 ILE 47 -0.192 1.625 3.838 346 HG22 ILE 47 HG22 ILE 47 -0.000 2.679 2.440 347 HG23 ILE 47 HG23 ILE 47 -1.592 2.473 3.174 348 HD11 ILE 47 HD11 ILE 47 1.243 5.514 2.631 349 HD12 ILE 47 HD12 ILE 47 -0.151 6.374 1.976 350 HD13 ILE 47 HD13 ILE 47 0.060 4.660 1.633 351 H ASP 48 HN ASP 48 1.037 2.553 6.809 352 HA ASP 48 HA ASP 48 0.647 -0.185 6.485 353 HB2 ASP 48 HB2 ASP 48 2.258 1.269 8.630 354 HB3 ASP 48 HB1 ASP 48 2.346 -0.467 8.352 355 H LYS 49 HN LYS 49 0.016 1.828 9.315 356 HA LYS 49 HA LYS 49 -1.096 -0.127 11.009 357 HB2 LYS 49 HB2 LYS 49 -1.559 2.887 10.935 358 HB3 LYS 49 HB1 LYS 49 -1.996 1.835 12.281 359 HG2 LYS 49 HG2 LYS 49 0.368 1.303 12.672 360 HG3 LYS 49 HG1 LYS 49 0.837 2.269 11.274 361 HD2 LYS 49 HD2 LYS 49 1.221 3.513 13.351 362 HD3 LYS 49 HD1 LYS 49 -0.025 4.303 12.377 363 HE2 LYS 49 HE2 LYS 49 -1.766 3.188 13.809 364 HE3 LYS 49 HE1 LYS 49 -0.470 2.541 14.817 365 HZ1 LYS 49 HZ1 LYS 49 -1.407 4.520 15.770 366 HZ2 LYS 49 HZ2 LYS 49 -1.077 5.403 14.367 367 HZ3 LYS 49 HZ3 LYS 49 0.190 4.810 15.311 368 H ALA 50 HN ALA 50 -2.676 2.245 8.848 369 HA ALA 50 HA ALA 50 -5.347 1.740 9.481 370 HB1 ALA 50 HB1 ALA 50 -5.890 2.899 7.372 371 HB2 ALA 50 HB2 ALA 50 -4.216 2.715 6.829 372 HB3 ALA 50 HB3 ALA 50 -4.587 3.728 8.229 373 H PHE 51 HN PHE 51 -3.437 0.394 6.787 374 HA PHE 51 HA PHE 51 -5.595 -1.363 5.922 375 HB2 PHE 51 HB2 PHE 51 -2.785 -0.895 4.852 376 HB3 PHE 51 HB1 PHE 51 -3.933 -2.005 4.120 377 HD1 PHE 51 HD2 PHE 51 -3.302 1.597 4.836 378 HD2 PHE 51 HD1 PHE 51 -5.671 -1.216 2.666 379 HE1 PHE 51 HE2 PHE 51 -4.183 3.415 3.454 380 HE2 PHE 51 HE1 PHE 51 -6.564 0.615 1.296 381 HZ PHE 51 HZ PHE 51 -5.816 2.924 1.683 382 H GLY 52 HN GLY 52 -3.115 -1.644 8.220 383 HA2 GLY 52 HA2 GLY 52 -2.463 -3.423 9.521 384 HA3 GLY 52 HA1 GLY 52 -3.526 -4.470 8.597 385 H ILE 53 HN ILE 53 -1.326 -2.693 6.670 386 HA ILE 53 HA ILE 53 0.281 -5.124 6.157 387 HB ILE 53 HB ILE 53 0.713 -4.107 3.880 388 HG12 ILE 53 HG12 ILE 53 -1.162 -2.288 3.204 389 HG13 ILE 53 HG11 ILE 53 -1.118 -1.896 4.912 390 HG21 ILE 53 HG21 ILE 53 -1.018 -5.813 4.181 391 HG22 ILE 53 HG22 ILE 53 -1.514 -4.660 2.941 392 HG23 ILE 53 HG23 ILE 53 -2.218 -4.572 4.559 393 HD11 ILE 53 HD11 ILE 53 1.219 -1.760 3.021 394 HD12 ILE 53 HD12 ILE 53 1.225 -1.287 4.724 395 HD13 ILE 53 HD13 ILE 53 0.234 -0.402 3.564 396 H LYS 54 HN LYS 54 2.495 -4.254 5.013 397 HA LYS 54 HA LYS 54 3.502 -1.808 6.257 398 HB2 LYS 54 HB2 LYS 54 4.181 -4.021 7.585 399 HB3 LYS 54 HB1 LYS 54 5.325 -4.249 6.270 400 HG2 LYS 54 HG2 LYS 54 5.208 -1.768 8.033 401 HG3 LYS 54 HG1 LYS 54 6.287 -3.133 8.321 402 HD2 LYS 54 HD2 LYS 54 7.474 -2.708 6.239 403 HD3 LYS 54 HD1 LYS 54 6.302 -1.478 5.765 404 HE2 LYS 54 HE2 LYS 54 8.331 -0.399 6.544 405 HE3 LYS 54 HE1 LYS 54 7.033 -0.082 7.692 406 HZ1 LYS 54 HZ1 LYS 54 9.145 -2.139 8.013 407 HZ2 LYS 54 HZ2 LYS 54 7.925 -1.784 9.126 408 HZ3 LYS 54 HZ3 LYS 54 9.110 -0.634 8.778 409 H LEU 55 HN LEU 55 4.173 -0.596 4.597 410 HA LEU 55 HA LEU 55 4.718 -1.590 1.966 411 HB2 LEU 55 HB2 LEU 55 5.128 1.166 3.207 412 HB3 LEU 55 HB1 LEU 55 5.341 0.810 1.497 413 HG LEU 55 HG LEU 55 2.709 0.629 3.034 414 HD11 LEU 55 HD11 LEU 55 1.993 2.548 1.663 415 HD12 LEU 55 HD12 LEU 55 3.602 2.648 0.943 416 HD13 LEU 55 HD13 LEU 55 3.386 2.959 2.668 417 HD21 LEU 55 HD21 LEU 55 3.178 0.217 0.057 418 HD22 LEU 55 HD22 LEU 55 1.640 0.116 0.915 419 HD23 LEU 55 HD23 LEU 55 2.891 -1.074 1.224 420 HA PRO 56 HA PRO 56 9.202 -2.238 2.804 421 HB2 PRO 56 HB2 PRO 56 9.266 -2.830 -0.131 422 HB3 PRO 56 HB1 PRO 56 9.786 -3.830 1.231 423 HG2 PRO 56 HG2 PRO 56 7.559 -4.419 -0.155 424 HG3 PRO 56 HG1 PRO 56 7.662 -4.686 1.598 425 HD2 PRO 56 HD2 PRO 56 6.345 -2.417 0.109 426 HD3 PRO 56 HD1 PRO 56 5.743 -3.349 1.496 427 H LEU 57 HN LEU 57 8.813 0.252 2.998 428 HA LEU 57 HA LEU 57 8.845 1.926 0.716 429 HB2 LEU 57 HB2 LEU 57 7.821 2.357 3.055 430 HB3 LEU 57 HB1 LEU 57 9.438 2.731 3.605 431 HG LEU 57 HG LEU 57 7.977 4.731 3.137 432 HD11 LEU 57 HD11 LEU 57 10.406 4.999 3.159 433 HD12 LEU 57 HD12 LEU 57 9.629 6.109 2.032 434 HD13 LEU 57 HD13 LEU 57 10.469 4.675 1.424 435 HD21 LEU 57 HD21 LEU 57 8.232 3.891 0.238 436 HD22 LEU 57 HD22 LEU 57 7.532 5.404 0.824 437 HD23 LEU 57 HD23 LEU 57 6.760 3.869 1.213 438 H GLU 58 HN GLU 58 11.260 1.106 3.199 439 HA GLU 58 HA GLU 58 13.367 2.777 2.330 440 HB2 GLU 58 HB2 GLU 58 13.538 0.128 3.839 441 HB3 GLU 58 HB1 GLU 58 14.833 1.318 3.710 442 HG2 GLU 58 HG2 GLU 58 13.491 2.942 4.969 443 HG3 GLU 58 HG1 GLU 58 12.158 1.787 5.063 444 H LYS 59 HN LYS 59 12.594 -0.627 1.610 445 HA LYS 59 HA LYS 59 14.828 -1.243 0.016 446 HB2 LYS 59 HB2 LYS 59 13.270 -2.970 0.917 447 HB3 LYS 59 HB1 LYS 59 12.020 -2.401 -0.182 448 HG2 LYS 59 HG2 LYS 59 13.497 -3.039 -2.122 449 HG3 LYS 59 HG1 LYS 59 14.652 -3.705 -0.966 450 HD2 LYS 59 HD2 LYS 59 13.297 -5.510 -1.884 451 HD3 LYS 59 HD1 LYS 59 12.915 -5.308 -0.172 452 HE2 LYS 59 HE2 LYS 59 10.868 -5.672 -1.497 453 HE3 LYS 59 HE1 LYS 59 10.864 -4.061 -0.787 454 HZ1 LYS 59 HZ1 LYS 59 10.141 -3.963 -3.049 455 HZ2 LYS 59 HZ2 LYS 59 11.542 -4.741 -3.587 456 HZ3 LYS 59 HZ3 LYS 59 11.639 -3.196 -2.919 457 H TRP 60 HN TRP 60 11.544 -0.159 -0.909 458 HA TRP 60 HA TRP 60 11.847 0.038 -3.680 459 HB2 TRP 60 HB2 TRP 60 10.130 1.722 -1.811 460 HB3 TRP 60 HB1 TRP 60 10.002 1.780 -3.566 461 HD1 TRP 60 HD1 TRP 60 10.328 -1.699 -3.447 462 HE1 TRP 60 HE1 TRP 60 8.085 -2.914 -3.095 463 HE3 TRP 60 HE3 TRP 60 7.551 2.200 -1.617 464 HZ2 TRP 60 HZ2 TRP 60 5.504 -2.313 -2.196 465 HZ3 TRP 60 HZ3 TRP 60 5.193 1.786 -1.032 466 HH2 TRP 60 HH2 TRP 60 4.197 -0.427 -1.319 467 H THR 61 HN THR 61 12.621 2.340 -1.102 468 HA THR 61 HA THR 61 13.279 4.563 -2.725 469 HB THR 61 HB THR 61 14.186 3.911 0.116 470 HG1 THR 61 HG1 THR 61 11.816 4.260 -0.556 471 HG21 THR 61 HG21 THR 61 15.636 5.664 -0.841 472 HG22 THR 61 HG22 THR 61 14.564 6.350 0.382 473 HG23 THR 61 HG23 THR 61 14.214 6.591 -1.331 474 H GLN 62 HN GLN 62 15.165 1.713 -1.655 475 HA GLN 62 HA GLN 62 17.745 2.822 -2.342 476 HB2 GLN 62 HB2 GLN 62 16.945 -0.090 -1.878 477 HB3 GLN 62 HB1 GLN 62 18.597 0.508 -2.013 478 HG2 GLN 62 HG2 GLN 62 16.623 0.876 0.233 479 HG3 GLN 62 HG1 GLN 62 18.245 0.193 0.285 480 HE21 GLN 62 HE21 GLN 62 16.360 3.089 0.361 481 HE22 GLN 62 HE22 GLN 62 17.650 4.172 0.741 482 H GLU 63 HN GLU 63 15.361 0.672 -3.802 483 HA GLU 63 HA GLU 63 16.826 -0.110 -6.111 484 HB2 GLU 63 HB2 GLU 63 13.817 -0.034 -5.607 485 HB3 GLU 63 HB1 GLU 63 14.596 -0.885 -6.944 486 HG2 GLU 63 HG2 GLU 63 15.723 -2.384 -5.401 487 HG3 GLU 63 HG1 GLU 63 15.114 -1.480 -4.019 488 H VAL 64 HN VAL 64 14.477 2.482 -5.493 489 HA VAL 64 HA VAL 64 14.399 3.616 -8.075 490 HB VAL 64 HB VAL 64 13.916 4.868 -5.338 491 HG11 VAL 64 HG11 VAL 64 13.464 6.166 -8.054 492 HG12 VAL 64 HG12 VAL 64 14.614 6.695 -6.823 493 HG13 VAL 64 HG13 VAL 64 12.879 6.809 -6.517 494 HG21 VAL 64 HG21 VAL 64 12.250 3.166 -6.047 495 HG22 VAL 64 HG22 VAL 64 11.969 4.064 -7.541 496 HG23 VAL 64 HG23 VAL 64 11.530 4.779 -5.988 497 H ASN 65 HN ASN 65 16.442 4.380 -5.234 498 HA ASN 65 HA ASN 65 18.070 6.321 -6.518 499 HB2 ASN 65 HB2 ASN 65 18.544 4.682 -3.996 500 HB3 ASN 65 HB1 ASN 65 19.589 6.004 -4.513 501 HD21 ASN 65 HD21 ASN 65 18.024 5.757 -2.072 502 HD22 ASN 65 HD22 ASN 65 16.971 7.125 -2.035 503 H ASP 66 HN ASP 66 18.230 2.814 -6.601 504 HA ASP 66 HA ASP 66 21.042 2.734 -7.362 505 HB2 ASP 66 HB2 ASP 66 19.908 0.986 -5.886 506 HB3 ASP 66 HB1 ASP 66 19.021 0.445 -7.305 507 H GLY 67 HN GLY 67 18.225 3.461 -9.022 508 HA2 GLY 67 HA2 GLY 67 17.638 3.524 -11.240 509 HA3 GLY 67 HA1 GLY 67 19.253 2.965 -11.641 510 H LYS 68 HN LYS 68 17.349 1.032 -9.486 511 HA LYS 68 HA LYS 68 16.787 -1.022 -11.496 512 HB2 LYS 68 HB2 LYS 68 16.225 -0.932 -8.507 513 HB3 LYS 68 HB1 LYS 68 15.895 -2.317 -9.538 514 HG2 LYS 68 HG2 LYS 68 18.695 -1.195 -9.129 515 HG3 LYS 68 HG1 LYS 68 17.991 -2.430 -8.092 516 HD2 LYS 68 HD2 LYS 68 19.308 -3.658 -9.620 517 HD3 LYS 68 HD1 LYS 68 17.668 -3.832 -10.241 518 HE2 LYS 68 HE2 LYS 68 18.143 -2.083 -11.936 519 HE3 LYS 68 HE1 LYS 68 19.781 -1.913 -11.306 520 HZ1 LYS 68 HZ1 LYS 68 18.614 -4.340 -12.529 521 HZ2 LYS 68 HZ2 LYS 68 20.176 -4.208 -11.905 522 HZ3 LYS 68 HZ3 LYS 68 19.726 -3.290 -13.247 523 H ALA 69 HN ALA 69 15.186 1.457 -9.689 524 HA ALA 69 HA ALA 69 12.695 1.102 -11.211 525 HB1 ALA 69 HB1 ALA 69 12.289 0.093 -8.984 526 HB2 ALA 69 HB2 ALA 69 11.346 1.571 -9.183 527 HB3 ALA 69 HB3 ALA 69 12.817 1.581 -8.201 528 H THR 70 HN THR 70 11.452 3.127 -11.275 529 HA THR 70 HA THR 70 13.083 5.567 -10.960 530 HB THR 70 HB THR 70 11.408 6.609 -12.503 531 HG1 THR 70 HG1 THR 70 9.602 5.591 -12.737 532 HG21 THR 70 HG21 THR 70 12.098 5.504 -14.582 533 HG22 THR 70 HG22 THR 70 12.689 4.116 -13.664 534 HG23 THR 70 HG23 THR 70 13.468 5.691 -13.481 535 H THR 71 HN THR 71 11.754 7.556 -10.345 536 HA THR 71 HA THR 71 10.805 7.160 -7.723 537 HB THR 71 HB THR 71 10.159 9.615 -7.786 538 HG1 THR 71 HG1 THR 71 11.450 9.932 -10.232 539 HG21 THR 71 HG21 THR 71 12.949 8.973 -8.803 540 HG22 THR 71 HG22 THR 71 12.441 8.950 -7.115 541 HG23 THR 71 HG23 THR 71 12.463 10.472 -8.007 542 H GLU 72 HN GLU 72 8.932 8.493 -10.504 543 HA GLU 72 HA GLU 72 6.466 8.576 -9.310 544 HB2 GLU 72 HB2 GLU 72 5.442 8.607 -11.573 545 HB3 GLU 72 HB1 GLU 72 6.803 9.702 -11.408 546 HG2 GLU 72 HG2 GLU 72 7.135 6.968 -12.665 547 HG3 GLU 72 HG1 GLU 72 6.532 8.336 -13.600 548 H GLN 73 HN GLN 73 7.941 5.819 -10.821 549 HA GLN 73 HA GLN 73 5.822 4.098 -11.232 550 HB2 GLN 73 HB2 GLN 73 8.192 3.796 -11.991 551 HB3 GLN 73 HB1 GLN 73 8.647 3.346 -10.362 552 HG2 GLN 73 HG2 GLN 73 6.485 1.735 -11.668 553 HG3 GLN 73 HG1 GLN 73 8.118 1.546 -12.295 554 HE21 GLN 73 HE21 GLN 73 9.723 0.641 -10.965 555 HE22 GLN 73 HE22 GLN 73 9.311 -0.272 -9.555 556 H TYR 74 HN TYR 74 7.376 4.890 -8.162 557 HA TYR 74 HA TYR 74 5.459 3.130 -6.729 558 HB2 TYR 74 HB2 TYR 74 8.289 3.981 -6.021 559 HB3 TYR 74 HB1 TYR 74 7.171 3.485 -4.750 560 HD1 TYR 74 HD2 TYR 74 5.837 1.233 -5.372 561 HD2 TYR 74 HD1 TYR 74 9.723 2.249 -6.824 562 HE1 TYR 74 HE2 TYR 74 6.294 -1.135 -5.770 563 HE2 TYR 74 HE1 TYR 74 10.187 -0.140 -7.223 564 HH TYR 74 HH TYR 74 7.760 -2.497 -7.221 565 H PHE 75 HN PHE 75 6.538 6.459 -7.118 566 HA PHE 75 HA PHE 75 5.435 7.277 -4.520 567 HB2 PHE 75 HB2 PHE 75 7.327 8.589 -6.499 568 HB3 PHE 75 HB1 PHE 75 6.586 9.513 -5.201 569 HD1 PHE 75 HD1 PHE 75 8.583 6.341 -5.679 570 HD2 PHE 75 HD2 PHE 75 7.745 9.715 -3.182 571 HE1 PHE 75 HE1 PHE 75 10.381 5.661 -4.145 572 HE2 PHE 75 HE2 PHE 75 9.553 9.039 -1.668 573 HZ PHE 75 HZ PHE 75 10.866 7.002 -2.136 574 H VAL 76 HN VAL 76 4.037 6.928 -7.477 575 HA VAL 76 HA VAL 76 2.480 9.452 -7.338 576 HB VAL 76 HB VAL 76 2.581 7.304 -9.504 577 HG11 VAL 76 HG11 VAL 76 0.962 8.668 -10.797 578 HG12 VAL 76 HG12 VAL 76 0.750 9.732 -9.403 579 HG13 VAL 76 HG13 VAL 76 0.246 8.044 -9.308 580 HG21 VAL 76 HG21 VAL 76 3.285 10.258 -9.581 581 HG22 VAL 76 HG22 VAL 76 3.430 9.118 -10.925 582 HG23 VAL 76 HG23 VAL 76 4.445 8.932 -9.493 583 H LEU 77 HN LEU 77 0.403 9.405 -6.692 584 HA LEU 77 HA LEU 77 -0.148 7.647 -4.631 585 HB2 LEU 77 HB2 LEU 77 -2.049 9.578 -5.990 586 HB3 LEU 77 HB1 LEU 77 -2.297 8.846 -4.408 587 HG LEU 77 HG LEU 77 -0.092 10.809 -5.155 588 HD11 LEU 77 HD11 LEU 77 -2.472 11.122 -3.321 589 HD12 LEU 77 HD12 LEU 77 -2.255 11.864 -4.910 590 HD13 LEU 77 HD13 LEU 77 -1.192 12.312 -3.580 591 HD21 LEU 77 HD21 LEU 77 0.809 9.184 -3.560 592 HD22 LEU 77 HD22 LEU 77 -0.566 9.438 -2.480 593 HD23 LEU 77 HD23 LEU 77 0.582 10.748 -2.776 594 H LYS 78 HN LYS 78 -1.298 7.402 -7.974 595 HA LYS 78 HA LYS 78 -3.310 5.403 -7.445 596 HB2 LYS 78 HB2 LYS 78 -3.340 5.017 -9.878 597 HB3 LYS 78 HB1 LYS 78 -3.378 6.742 -9.521 598 HG2 LYS 78 HG2 LYS 78 -0.971 6.911 -10.042 599 HG3 LYS 78 HG1 LYS 78 -0.923 5.184 -10.397 600 HD2 LYS 78 HD2 LYS 78 -2.508 5.530 -12.269 601 HD3 LYS 78 HD1 LYS 78 -2.544 7.262 -11.915 602 HE2 LYS 78 HE2 LYS 78 -0.101 7.381 -12.385 603 HE3 LYS 78 HE1 LYS 78 -0.109 5.661 -12.776 604 HZ1 LYS 78 HZ1 LYS 78 -1.657 6.138 -14.571 605 HZ2 LYS 78 HZ2 LYS 78 -0.207 6.980 -14.755 606 HZ3 LYS 78 HZ3 LYS 78 -1.586 7.788 -14.212 607 H ASN 79 HN ASN 79 0.105 5.355 -8.327 608 HA ASN 79 HA ASN 79 0.376 2.531 -8.713 609 HB2 ASN 79 HB2 ASN 79 2.510 4.651 -8.168 610 HB3 ASN 79 HB1 ASN 79 2.845 2.986 -8.646 611 HD21 ASN 79 HD21 ASN 79 3.621 5.360 -10.019 612 HD22 ASN 79 HD22 ASN 79 2.918 5.301 -11.591 613 H LEU 80 HN LEU 80 1.383 4.767 -6.126 614 HA LEU 80 HA LEU 80 2.274 3.107 -4.158 615 HB2 LEU 80 HB2 LEU 80 2.359 5.574 -4.009 616 HB3 LEU 80 HB1 LEU 80 0.611 5.639 -3.869 617 HG LEU 80 HG LEU 80 0.805 4.369 -1.674 618 HD11 LEU 80 HD11 LEU 80 2.994 3.328 -2.006 619 HD12 LEU 80 HD12 LEU 80 2.959 4.273 -0.521 620 HD13 LEU 80 HD13 LEU 80 3.779 4.911 -1.950 621 HD21 LEU 80 HD21 LEU 80 1.491 6.314 -0.336 622 HD22 LEU 80 HD22 LEU 80 0.447 6.787 -1.676 623 HD23 LEU 80 HD23 LEU 80 2.187 7.072 -1.773 624 H ALA 81 HN ALA 81 -1.099 4.179 -4.745 625 HA ALA 81 HA ALA 81 -2.337 2.773 -2.637 626 HB1 ALA 81 HB1 ALA 81 -4.452 3.147 -3.848 627 HB2 ALA 81 HB2 ALA 81 -3.549 3.601 -5.299 628 HB3 ALA 81 HB3 ALA 81 -3.454 4.604 -3.849 629 H ALA 82 HN ALA 82 -1.566 1.810 -5.959 630 HA ALA 82 HA ALA 82 -2.913 -0.709 -5.879 631 HB1 ALA 82 HB1 ALA 82 -0.690 0.237 -7.707 632 HB2 ALA 82 HB2 ALA 82 -2.418 0.462 -7.982 633 HB3 ALA 82 HB3 ALA 82 -1.732 -1.164 -7.974 634 H ARG 83 HN ARG 83 0.329 0.382 -4.929 635 HA ARG 83 HA ARG 83 1.537 -2.202 -4.644 636 HB2 ARG 83 HB2 ARG 83 2.253 0.294 -3.041 637 HB3 ARG 83 HB1 ARG 83 3.265 -1.113 -3.324 638 HG2 ARG 83 HG2 ARG 83 2.518 1.056 -5.301 639 HG3 ARG 83 HG1 ARG 83 4.108 0.693 -4.641 640 HD2 ARG 83 HD2 ARG 83 4.218 -0.176 -6.809 641 HD3 ARG 83 HD1 ARG 83 3.857 -1.599 -5.838 642 HE ARG 83 HE ARG 83 1.664 -0.159 -7.179 643 HH11 ARG 83 HH11 ARG 83 3.577 -3.077 -6.889 644 HH12 ARG 83 HH12 ARG 83 2.610 -3.958 -8.025 645 HH21 ARG 83 HH21 ARG 83 0.432 -1.313 -8.673 646 HH22 ARG 83 HH22 ARG 83 0.812 -2.967 -9.023 647 H ILE 84 HN ILE 84 -0.202 -0.027 -2.498 648 HA ILE 84 HA ILE 84 0.027 -1.459 -0.062 649 HB ILE 84 HB ILE 84 -2.196 0.431 -0.971 650 HG12 ILE 84 HG12 ILE 84 0.240 1.223 0.665 651 HG13 ILE 84 HG11 ILE 84 0.239 1.317 -1.086 652 HG21 ILE 84 HG21 ILE 84 -2.861 -0.822 1.026 653 HG22 ILE 84 HG22 ILE 84 -2.575 0.869 1.433 654 HG23 ILE 84 HG23 ILE 84 -1.370 -0.350 1.848 655 HD11 ILE 84 HD11 ILE 84 -0.196 3.457 -0.080 656 HD12 ILE 84 HD12 ILE 84 -1.600 2.810 0.767 657 HD13 ILE 84 HD13 ILE 84 -1.599 2.913 -0.996 658 H ASP 85 HN ASP 85 -2.513 -1.295 -2.530 659 HA ASP 85 HA ASP 85 -4.366 -3.115 -1.452 660 HB2 ASP 85 HB2 ASP 85 -4.932 -1.452 -3.204 661 HB3 ASP 85 HB1 ASP 85 -3.892 -2.288 -4.357 662 H GLU 86 HN GLU 86 -1.613 -3.569 -3.617 663 HA GLU 86 HA GLU 86 -1.862 -6.257 -4.306 664 HB2 GLU 86 HB2 GLU 86 -0.271 -4.431 -5.175 665 HB3 GLU 86 HB1 GLU 86 0.743 -4.758 -3.777 666 HG2 GLU 86 HG2 GLU 86 -0.003 -6.801 -5.868 667 HG3 GLU 86 HG1 GLU 86 1.438 -5.801 -5.958 668 H LEU 87 HN LEU 87 -0.402 -4.701 -1.473 669 HA LEU 87 HA LEU 87 0.470 -7.119 -0.179 670 HB2 LEU 87 HB2 LEU 87 0.097 -4.323 0.961 671 HB3 LEU 87 HB1 LEU 87 0.926 -5.647 1.772 672 HG LEU 87 HG LEU 87 1.830 -4.316 -0.811 673 HD11 LEU 87 HD11 LEU 87 3.688 -3.426 0.500 674 HD12 LEU 87 HD12 LEU 87 2.995 -4.116 1.971 675 HD13 LEU 87 HD13 LEU 87 2.131 -2.850 1.093 676 HD21 LEU 87 HD21 LEU 87 3.891 -5.659 -0.575 677 HD22 LEU 87 HD22 LEU 87 2.470 -6.668 -0.822 678 HD23 LEU 87 HD23 LEU 87 3.173 -6.518 0.792 679 H VAL 88 HN VAL 88 -2.495 -5.225 -0.127 680 HA VAL 88 HA VAL 88 -3.670 -6.503 2.189 681 HB VAL 88 HB VAL 88 -4.989 -4.867 -0.037 682 HG11 VAL 88 HG11 VAL 88 -6.668 -6.293 1.074 683 HG12 VAL 88 HG12 VAL 88 -6.914 -4.607 1.527 684 HG13 VAL 88 HG13 VAL 88 -6.137 -5.717 2.658 685 HG21 VAL 88 HG21 VAL 88 -4.131 -4.015 2.764 686 HG22 VAL 88 HG22 VAL 88 -4.989 -2.997 1.605 687 HG23 VAL 88 HG23 VAL 88 -3.350 -3.542 1.253 688 H ALA 89 HN ALA 89 -3.495 -7.089 -1.263 689 HA ALA 89 HA ALA 89 -5.319 -9.313 -1.364 690 HB1 ALA 89 HB1 ALA 89 -4.780 -8.020 -3.393 691 HB2 ALA 89 HB2 ALA 89 -4.375 -9.724 -3.604 692 HB3 ALA 89 HB3 ALA 89 -3.097 -8.544 -3.294 693 H ALA 90 HN ALA 90 -1.788 -8.919 -0.939 694 HA ALA 90 HA ALA 90 -1.034 -11.623 -0.766 695 HB1 ALA 90 HB1 ALA 90 0.917 -10.807 0.515 696 HB2 ALA 90 HB2 ALA 90 0.117 -9.247 0.742 697 HB3 ALA 90 HB3 ALA 90 0.589 -9.773 -0.873 698 H LYS 91 HN LYS 91 -2.684 -9.525 1.468 699 HA LYS 91 HA LYS 91 -2.427 -11.252 3.796 700 HB2 LYS 91 HB2 LYS 91 -2.357 -8.822 4.103 701 HB3 LYS 91 HB1 LYS 91 -3.915 -8.640 3.303 702 HG2 LYS 91 HG2 LYS 91 -4.956 -9.960 5.188 703 HG3 LYS 91 HG1 LYS 91 -3.390 -9.927 6.011 704 HD2 LYS 91 HD2 LYS 91 -5.024 -7.486 5.202 705 HD3 LYS 91 HD1 LYS 91 -4.942 -8.165 6.830 706 HE2 LYS 91 HE2 LYS 91 -2.598 -7.006 5.284 707 HE3 LYS 91 HE1 LYS 91 -3.474 -6.194 6.579 708 HZ1 LYS 91 HZ1 LYS 91 -1.444 -7.165 7.393 709 HZ2 LYS 91 HZ2 LYS 91 -1.898 -8.694 6.847 710 HZ3 LYS 91 HZ3 LYS 91 -2.767 -7.951 8.090 711 H GLY 92 HN GLY 92 -4.791 -10.437 1.300 712 HA2 GLY 92 HA2 GLY 92 -7.045 -11.522 2.854 713 HA3 GLY 92 HA1 GLY 92 -7.143 -10.532 1.412 714 H ALA 93 HN ALA 93 -5.553 -11.894 -0.336 715 HA ALA 93 HA ALA 93 -7.332 -14.050 -1.116 716 HB1 ALA 93 HB1 ALA 93 -6.647 -12.341 -2.760 717 HB2 ALA 93 HB2 ALA 93 -6.152 -13.957 -3.270 718 HB3 ALA 93 HB3 ALA 93 -4.961 -12.841 -2.588 719 H LEU 94 HN LEU 94 -4.465 -13.833 0.663 720 HA LEU 94 HA LEU 94 -2.952 -15.270 1.471 721 HB2 LEU 94 HB2 LEU 94 -4.875 -17.469 0.617 722 HB3 LEU 94 HB1 LEU 94 -3.590 -17.612 1.805 723 HG LEU 94 HG LEU 94 -6.254 -16.186 2.072 724 HD11 LEU 94 HD11 LEU 94 -6.490 -17.593 4.074 725 HD12 LEU 94 HD12 LEU 94 -4.911 -18.321 3.765 726 HD13 LEU 94 HD13 LEU 94 -6.237 -18.563 2.623 727 HD21 LEU 94 HD21 LEU 94 -5.506 -15.323 4.271 728 HD22 LEU 94 HD22 LEU 94 -4.650 -14.590 2.917 729 HD23 LEU 94 HD23 LEU 94 -3.854 -15.831 3.892 730 H GLU 95 HN GLU 95 -1.950 -17.741 0.797 731 HA GLU 95 HA GLU 95 -0.839 -17.445 -1.899 732 HB2 GLU 95 HB2 GLU 95 -0.326 -19.502 0.298 733 HB3 GLU 95 HB1 GLU 95 0.491 -19.494 -1.265 734 HG2 GLU 95 HG2 GLU 95 1.455 -17.284 -0.756 735 HG3 GLU 95 HG1 GLU 95 0.634 -17.288 0.806 736 H HIS 96 HN HIS 96 -2.697 -19.841 -0.022 737 HA HIS 96 HA HIS 96 -4.076 -21.546 -0.535 738 HB2 HIS 96 HB2 HIS 96 -4.851 -19.590 -2.719 739 HB3 HIS 96 HB1 HIS 96 -5.678 -21.128 -2.549 740 HD1 HIS 96 HD1 HIS 96 -6.496 -17.902 -1.907 741 HD2 HIS 96 HD2 HIS 96 -6.290 -21.194 0.615 742 HE1 HIS 96 HE1 HIS 96 -8.085 -17.399 -0.027 743 HE2 HIS 96 HE2 HIS 96 -7.823 -19.346 1.555 744 H HIS 97 HN HIS 97 -2.191 -22.918 -0.936 745 HA HIS 97 HA HIS 97 -2.061 -23.924 -3.733 746 HB2 HIS 97 HB2 HIS 97 -0.184 -24.824 -1.507 747 HB3 HIS 97 HB1 HIS 97 0.043 -24.962 -3.245 748 HD1 HIS 97 HD1 HIS 97 1.098 -22.936 -4.454 749 HD2 HIS 97 HD2 HIS 97 0.534 -22.364 -0.382 750 HE1 HIS 97 HE1 HIS 97 2.488 -20.935 -3.854 751 HE2 HIS 97 HE2 HIS 97 2.302 -20.761 -1.354 752 H HIS 98 HN HIS 98 -1.478 -25.548 -0.651 753 HA HIS 98 HA HIS 98 -4.007 -26.940 -0.524 754 HB2 HIS 98 HB2 HIS 98 -1.389 -28.486 -0.879 755 HB3 HIS 98 HB1 HIS 98 -2.883 -29.208 -0.299 756 HD1 HIS 98 HD1 HIS 98 -1.016 -28.567 -3.341 757 HD2 HIS 98 HD2 HIS 98 -5.012 -29.142 -2.356 758 HE1 HIS 98 HE1 HIS 98 -2.169 -29.083 -5.504 759 HE2 HIS 98 HE2 HIS 98 -4.594 -29.348 -4.903 760 H HIS 99 HN HIS 99 -4.501 -26.722 1.585 761 HA HIS 99 HA HIS 99 -4.396 -26.150 3.765 762 HB2 HIS 99 HB2 HIS 99 -1.742 -27.667 3.732 763 HB3 HIS 99 HB1 HIS 99 -2.579 -27.153 5.192 764 HD1 HIS 99 HD1 HIS 99 -2.122 -30.065 3.255 765 HD2 HIS 99 HD2 HIS 99 -5.432 -28.340 5.086 766 HE1 HIS 99 HE1 HIS 99 -3.798 -31.915 3.486 767 HE2 HIS 99 HE2 HIS 99 -5.702 -30.893 4.774 768 H HIS 100 HN HIS 100 -2.083 -25.333 5.369 769 HA HIS 100 HA HIS 100 -0.720 -23.589 5.826 770 HB2 HIS 100 HB2 HIS 100 -0.340 -23.582 2.808 771 HB3 HIS 100 HB1 HIS 100 0.591 -22.559 3.893 772 HD1 HIS 100 HD1 HIS 100 2.670 -23.546 4.831 773 HD2 HIS 100 HD2 HIS 100 0.144 -26.457 3.282 774 HE1 HIS 100 HE1 HIS 100 3.971 -25.690 4.934 775 HE2 HIS 100 HE2 HIS 100 2.500 -27.385 3.790 776 H HIS 101 HN HIS 101 -0.317 -21.091 4.457 777 HA HIS 101 HA HIS 101 -2.997 -19.860 4.757 778 HB2 HIS 101 HB2 HIS 101 -1.229 -19.396 6.552 779 HB3 HIS 101 HB1 HIS 101 -0.266 -18.596 5.314 780 HD1 HIS 101 HD1 HIS 101 -0.410 -16.178 5.852 781 HD2 HIS 101 HD2 HIS 101 -4.091 -18.057 6.210 782 HE1 HIS 101 HE1 HIS 101 -2.028 -14.367 6.465 783 HE2 HIS 101 HE2 HIS 101 -4.243 -15.530 6.721 784 H282 PNS 102 H282 PNS 102 15.178 10.662 3.294 785 H281 PNS 102 H281 PNS 102 13.625 9.807 3.260 786 H303 PNS 102 H303 PNS 102 14.652 7.096 2.146 787 H302 PNS 102 H302 PNS 102 15.050 6.347 3.696 788 H301 PNS 102 H301 PNS 102 13.549 7.262 3.522 789 H313 PNS 102 H313 PNS 102 15.742 9.605 5.508 790 H312 PNS 102 H312 PNS 102 14.195 8.751 5.505 791 H311 PNS 102 H311 PNS 102 15.704 7.854 5.710 792 H32 PNS 102 H32 PNS 102 16.881 8.314 2.113 793 H33 PNS 102 H33 PNS 102 18.443 9.652 3.190 794 H36 PNS 102 H36 PNS 102 17.979 8.443 5.508 795 H372 PNS 102 H372 PNS 102 18.371 5.678 5.953 796 H371 PNS 102 H371 PNS 102 19.849 6.363 5.280 797 H382 PNS 102 H382 PNS 102 20.140 6.425 7.629 798 H381 PNS 102 H381 PNS 102 19.764 8.078 7.153 799 H41 PNS 102 H41 PNS 102 17.433 8.781 7.444 800 H422 PNS 102 H422 PNS 102 16.455 8.024 10.082 801 H421 PNS 102 H421 PNS 102 15.869 9.331 9.058 802 H431 PNS 102 H431 PNS 102 14.570 7.769 7.717 803 H432 PNS 102 H432 PNS 102 14.142 7.582 9.418 804 H44 PNS 102 H44 PNS 102 16.292 5.506 7.757 Start of MODEL 4 1 H1 MET 1 HT1 MET 1 -15.376 -2.263 -2.047 2 H2 MET 1 HT2 MET 1 -14.242 -1.372 -1.170 3 H3 MET 1 HT3 MET 1 -14.434 -1.091 -2.822 4 HA MET 1 HA MET 1 -16.666 -0.292 -2.477 5 HB2 MET 1 HB2 MET 1 -16.015 -0.682 0.476 6 HB3 MET 1 HB1 MET 1 -17.454 0.130 -0.129 7 HG2 MET 1 HG2 MET 1 -18.218 -1.956 -1.157 8 HG3 MET 1 HG1 MET 1 -16.752 -2.776 -0.617 9 HE1 MET 1 HE1 MET 1 -19.496 -4.406 1.670 10 HE2 MET 1 HE2 MET 1 -18.244 -4.689 0.460 11 HE3 MET 1 HE3 MET 1 -19.743 -3.877 0.002 12 H THR 2 HN THR 2 -13.981 0.402 -0.218 13 HA THR 2 HA THR 2 -13.867 3.196 -1.155 14 HB THR 2 HB THR 2 -12.272 1.870 1.098 15 HG1 THR 2 HG1 THR 2 -14.850 2.604 1.023 16 HG21 THR 2 HG21 THR 2 -11.210 3.956 0.214 17 HG22 THR 2 HG22 THR 2 -11.836 4.188 1.850 18 HG23 THR 2 HG23 THR 2 -12.726 4.825 0.465 19 H SER 3 HN SER 3 -12.605 3.465 -2.947 20 HA SER 3 HA SER 3 -10.539 1.745 -3.807 21 HB2 SER 3 HB2 SER 3 -10.965 4.699 -4.427 22 HB3 SER 3 HB1 SER 3 -9.862 3.629 -5.295 23 HG SER 3 HG SER 3 -12.359 2.566 -5.145 24 H THR 4 HN THR 4 -8.357 1.732 -3.406 25 HA THR 4 HA THR 4 -7.499 2.437 -0.846 26 HB THR 4 HB THR 4 -5.776 1.741 -3.259 27 HG1 THR 4 HG1 THR 4 -6.668 -0.147 -3.035 28 HG21 THR 4 HG21 THR 4 -5.168 1.479 -0.289 29 HG22 THR 4 HG22 THR 4 -4.406 2.615 -1.405 30 HG23 THR 4 HG23 THR 4 -4.156 0.883 -1.606 31 H PHE 5 HN PHE 5 -7.070 4.153 -3.942 32 HA PHE 5 HA PHE 5 -5.256 6.136 -3.153 33 HB2 PHE 5 HB2 PHE 5 -5.730 6.078 -5.491 34 HB3 PHE 5 HB1 PHE 5 -7.470 6.174 -5.235 35 HD1 PHE 5 HD1 PHE 5 -4.371 8.210 -4.518 36 HD2 PHE 5 HD2 PHE 5 -8.511 8.280 -5.614 37 HE1 PHE 5 HE1 PHE 5 -4.312 10.663 -4.633 38 HE2 PHE 5 HE2 PHE 5 -8.428 10.733 -5.736 39 HZ PHE 5 HZ PHE 5 -6.336 11.924 -5.233 40 H ASP 6 HN ASP 6 -8.844 6.161 -2.923 41 HA ASP 6 HA ASP 6 -9.173 8.782 -1.959 42 HB2 ASP 6 HB2 ASP 6 -10.907 6.304 -1.609 43 HB3 ASP 6 HB1 ASP 6 -11.382 7.873 -0.964 44 H ARG 7 HN ARG 7 -8.833 5.717 -0.204 45 HA ARG 7 HA ARG 7 -8.896 6.666 2.408 46 HB2 ARG 7 HB2 ARG 7 -8.574 4.152 1.166 47 HB3 ARG 7 HB1 ARG 7 -7.067 4.349 2.045 48 HG2 ARG 7 HG2 ARG 7 -9.850 4.526 3.212 49 HG3 ARG 7 HG1 ARG 7 -8.758 3.146 3.382 50 HD2 ARG 7 HD2 ARG 7 -7.170 4.567 4.638 51 HD3 ARG 7 HD1 ARG 7 -8.245 5.957 4.443 52 HE ARG 7 HE ARG 7 -9.596 3.787 5.702 53 HH11 ARG 7 HH11 ARG 7 -7.257 6.314 6.372 54 HH12 ARG 7 HH12 ARG 7 -7.631 6.384 8.060 55 HH21 ARG 7 HH21 ARG 7 -10.057 3.872 7.923 56 HH22 ARG 7 HH22 ARG 7 -9.208 4.986 8.946 57 H VAL 8 HN VAL 8 -6.072 6.113 0.299 58 HA VAL 8 HA VAL 8 -3.987 6.888 2.020 59 HB VAL 8 HB VAL 8 -4.211 6.871 -1.030 60 HG11 VAL 8 HG11 VAL 8 -1.690 7.471 0.575 61 HG12 VAL 8 HG12 VAL 8 -2.525 8.591 -0.504 62 HG13 VAL 8 HG13 VAL 8 -1.736 7.154 -1.161 63 HG21 VAL 8 HG21 VAL 8 -2.769 4.874 -0.864 64 HG22 VAL 8 HG22 VAL 8 -4.233 4.671 0.100 65 HG23 VAL 8 HG23 VAL 8 -2.704 5.056 0.892 66 H ALA 9 HN ALA 9 -5.864 8.784 -0.276 67 HA ALA 9 HA ALA 9 -4.406 11.181 -0.171 68 HB1 ALA 9 HB1 ALA 9 -6.345 12.140 -1.362 69 HB2 ALA 9 HB2 ALA 9 -7.288 10.691 -1.001 70 HB3 ALA 9 HB3 ALA 9 -5.872 10.586 -2.054 71 H THR 10 HN THR 10 -7.317 10.055 1.525 72 HA THR 10 HA THR 10 -7.825 12.293 3.154 73 HB THR 10 HB THR 10 -8.295 9.350 3.838 74 HG1 THR 10 HG1 THR 10 -9.677 9.493 2.254 75 HG21 THR 10 HG21 THR 10 -8.540 10.837 5.812 76 HG22 THR 10 HG22 THR 10 -10.098 10.177 5.311 77 HG23 THR 10 HG23 THR 10 -9.674 11.846 4.912 78 H ILE 11 HN ILE 11 -5.748 9.432 3.688 79 HA ILE 11 HA ILE 11 -4.815 10.064 6.268 80 HB ILE 11 HB ILE 11 -3.574 8.353 4.068 81 HG12 ILE 11 HG12 ILE 11 -5.039 7.547 6.622 82 HG13 ILE 11 HG11 ILE 11 -5.772 7.601 5.025 83 HG21 ILE 11 HG21 ILE 11 -2.082 7.357 5.794 84 HG22 ILE 11 HG22 ILE 11 -2.637 8.562 6.958 85 HG23 ILE 11 HG23 ILE 11 -1.740 9.067 5.526 86 HD11 ILE 11 HD11 ILE 11 -3.523 5.777 5.875 87 HD12 ILE 11 HD12 ILE 11 -4.265 5.825 4.272 88 HD13 ILE 11 HD13 ILE 11 -5.218 5.336 5.672 89 H ILE 12 HN ILE 12 -3.643 11.103 3.048 90 HA ILE 12 HA ILE 12 -1.205 12.312 3.928 91 HB ILE 12 HB ILE 12 -2.908 12.924 1.465 92 HG12 ILE 12 HG12 ILE 12 -0.440 11.147 1.688 93 HG13 ILE 12 HG11 ILE 12 -2.091 10.559 1.567 94 HG21 ILE 12 HG21 ILE 12 -0.868 13.946 0.487 95 HG22 ILE 12 HG22 ILE 12 -0.017 13.698 2.011 96 HG23 ILE 12 HG23 ILE 12 -1.392 14.800 1.941 97 HD11 ILE 12 HD11 ILE 12 -2.283 11.588 -0.659 98 HD12 ILE 12 HD12 ILE 12 -0.987 10.396 -0.561 99 HD13 ILE 12 HD13 ILE 12 -0.598 12.117 -0.543 100 H ALA 13 HN ALA 13 -4.458 13.539 3.214 101 HA ALA 13 HA ALA 13 -4.260 16.213 3.806 102 HB1 ALA 13 HB1 ALA 13 -6.686 16.148 4.201 103 HB2 ALA 13 HB2 ALA 13 -6.624 14.390 4.369 104 HB3 ALA 13 HB3 ALA 13 -6.242 15.143 2.819 105 H GLU 14 HN GLU 14 -4.865 13.559 6.108 106 HA GLU 14 HA GLU 14 -5.175 15.293 8.385 107 HB2 GLU 14 HB2 GLU 14 -4.809 12.268 8.312 108 HB3 GLU 14 HB1 GLU 14 -5.375 13.210 9.690 109 HG2 GLU 14 HG2 GLU 14 -6.803 12.780 7.054 110 HG3 GLU 14 HG1 GLU 14 -7.256 12.130 8.623 111 H THR 15 HN THR 15 -2.535 13.234 7.135 112 HA THR 15 HA THR 15 -0.980 13.315 9.576 113 HB THR 15 HB THR 15 -0.163 12.271 6.817 114 HG1 THR 15 HG1 THR 15 -1.421 10.656 7.303 115 HG21 THR 15 HG21 THR 15 1.818 12.675 8.257 116 HG22 THR 15 HG22 THR 15 1.543 10.946 8.032 117 HG23 THR 15 HG23 THR 15 1.077 11.721 9.546 118 H CYS 16 HN CYS 16 -0.862 14.937 6.409 119 HA CYS 16 HA CYS 16 1.710 16.244 7.110 120 HB2 CYS 16 HB2 CYS 16 1.760 14.625 5.180 121 HB3 CYS 16 HB1 CYS 16 0.613 15.646 4.320 122 HG CYS 16 HG CYS 16 2.420 17.863 4.278 123 H ASP 17 HN ASP 17 -1.537 16.881 6.962 124 HA ASP 17 HA ASP 17 -2.945 18.549 6.412 125 HB2 ASP 17 HB2 ASP 17 -1.679 19.607 8.282 126 HB3 ASP 17 HB1 ASP 17 -0.537 20.287 7.126 127 H ILE 18 HN ILE 18 -2.652 17.582 4.194 128 HA ILE 18 HA ILE 18 -1.852 19.669 2.242 129 HB ILE 18 HB ILE 18 -1.864 16.637 1.833 130 HG12 ILE 18 HG12 ILE 18 0.025 17.367 3.241 131 HG13 ILE 18 HG11 ILE 18 0.596 16.803 1.682 132 HG21 ILE 18 HG21 ILE 18 -0.846 17.087 -0.391 133 HG22 ILE 18 HG22 ILE 18 -1.046 18.822 -0.132 134 HG23 ILE 18 HG23 ILE 18 -2.467 17.780 -0.257 135 HD11 ILE 18 HD11 ILE 18 0.337 19.692 2.525 136 HD12 ILE 18 HD12 ILE 18 0.930 19.113 0.965 137 HD13 ILE 18 HD13 ILE 18 1.823 18.747 2.437 138 HA PRO 19 HA PRO 19 -6.319 19.960 1.594 139 HB2 PRO 19 HB2 PRO 19 -5.483 21.060 -1.091 140 HB3 PRO 19 HB1 PRO 19 -6.600 21.738 0.102 141 HG2 PRO 19 HG2 PRO 19 -4.159 22.760 -0.162 142 HG3 PRO 19 HG1 PRO 19 -4.866 22.549 1.459 143 HD2 PRO 19 HD2 PRO 19 -2.809 20.843 0.044 144 HD3 PRO 19 HD1 PRO 19 -2.863 21.358 1.747 145 H ARG 20 HN ARG 20 -7.546 18.250 1.095 146 HA ARG 20 HA ARG 20 -6.887 16.068 -0.494 147 HB2 ARG 20 HB2 ARG 20 -8.618 15.960 1.256 148 HB3 ARG 20 HB1 ARG 20 -9.645 17.065 0.351 149 HG2 ARG 20 HG2 ARG 20 -10.460 14.767 0.160 150 HG3 ARG 20 HG1 ARG 20 -9.940 15.374 -1.412 151 HD2 ARG 20 HD2 ARG 20 -7.745 14.171 -1.046 152 HD3 ARG 20 HD1 ARG 20 -8.458 13.437 0.393 153 HE ARG 20 HE ARG 20 -9.879 12.167 -0.950 154 HH11 ARG 20 HH11 ARG 20 -7.881 14.231 -2.999 155 HH12 ARG 20 HH12 ARG 20 -8.208 13.324 -4.438 156 HH21 ARG 20 HH21 ARG 20 -10.289 10.986 -2.854 157 HH22 ARG 20 HH22 ARG 20 -9.584 11.494 -4.356 158 H GLU 21 HN GLU 21 -8.393 19.101 -1.419 159 HA GLU 21 HA GLU 21 -9.505 18.366 -3.924 160 HB2 GLU 21 HB2 GLU 21 -9.579 20.838 -4.294 161 HB3 GLU 21 HB1 GLU 21 -10.230 20.367 -2.727 162 HG2 GLU 21 HG2 GLU 21 -8.115 21.029 -1.640 163 HG3 GLU 21 HG1 GLU 21 -7.453 21.501 -3.205 164 H THR 22 HN THR 22 -6.277 19.396 -2.901 165 HA THR 22 HA THR 22 -5.290 19.736 -5.633 166 HB THR 22 HB THR 22 -3.157 20.440 -4.583 167 HG1 THR 22 HG1 THR 22 -2.808 19.612 -2.670 168 HG21 THR 22 HG21 THR 22 -4.894 22.152 -4.911 169 HG22 THR 22 HG22 THR 22 -3.950 22.484 -3.456 170 HG23 THR 22 HG23 THR 22 -5.567 21.787 -3.320 171 H ILE 23 HN ILE 23 -5.908 17.048 -3.879 172 HA ILE 23 HA ILE 23 -3.438 15.590 -4.576 173 HB ILE 23 HB ILE 23 -5.756 14.842 -2.714 174 HG12 ILE 23 HG12 ILE 23 -2.877 15.575 -2.015 175 HG13 ILE 23 HG11 ILE 23 -4.266 16.635 -1.811 176 HG21 ILE 23 HG21 ILE 23 -4.409 12.889 -2.044 177 HG22 ILE 23 HG22 ILE 23 -3.191 13.306 -3.247 178 HG23 ILE 23 HG23 ILE 23 -4.812 12.830 -3.761 179 HD11 ILE 23 HD11 ILE 23 -5.204 15.058 -0.170 180 HD12 ILE 23 HD12 ILE 23 -3.615 15.667 0.294 181 HD13 ILE 23 HD13 ILE 23 -3.774 14.037 -0.359 182 H THR 24 HN THR 24 -3.694 15.002 -6.717 183 HA THR 24 HA THR 24 -6.172 13.662 -7.636 184 HB THR 24 HB THR 24 -5.283 13.861 -9.917 185 HG1 THR 24 HG1 THR 24 -2.895 14.134 -8.653 186 HG21 THR 24 HG21 THR 24 -5.112 16.306 -10.186 187 HG22 THR 24 HG22 THR 24 -4.829 16.492 -8.455 188 HG23 THR 24 HG23 THR 24 -6.386 15.895 -9.033 189 HA PRO 25 HA PRO 25 -4.273 9.567 -7.329 190 HB2 PRO 25 HB2 PRO 25 -5.100 8.335 -9.675 191 HB3 PRO 25 HB1 PRO 25 -6.150 8.580 -8.270 192 HG2 PRO 25 HG2 PRO 25 -5.901 10.275 -10.763 193 HG3 PRO 25 HG1 PRO 25 -7.375 9.695 -9.956 194 HD2 PRO 25 HD2 PRO 25 -6.518 12.198 -9.575 195 HD3 PRO 25 HD1 PRO 25 -7.191 11.267 -8.214 196 H GLU 26 HN GLU 26 -3.598 11.673 -9.987 197 HA GLU 26 HA GLU 26 -1.316 10.086 -10.964 198 HB2 GLU 26 HB2 GLU 26 -2.800 12.450 -12.210 199 HB3 GLU 26 HB1 GLU 26 -1.507 11.523 -12.971 200 HG2 GLU 26 HG2 GLU 26 -2.894 9.531 -13.050 201 HG3 GLU 26 HG1 GLU 26 -4.170 10.327 -12.126 202 H SER 27 HN SER 27 -1.666 12.005 -8.521 203 HA SER 27 HA SER 27 0.456 13.959 -8.968 204 HB2 SER 27 HB2 SER 27 -1.094 13.176 -6.456 205 HB3 SER 27 HB1 SER 27 0.182 14.395 -6.476 206 HG SER 27 HG SER 27 -1.096 15.755 -7.483 207 H HIS 28 HN HIS 28 2.555 13.693 -8.355 208 HA HIS 28 HA HIS 28 3.523 11.192 -7.246 209 HB2 HIS 28 HB2 HIS 28 4.743 12.579 -9.034 210 HB3 HIS 28 HB1 HIS 28 5.092 13.758 -7.776 211 HD2 HIS 28 HD2 HIS 28 6.422 10.471 -9.151 212 HE1 HIS 28 HE1 HIS 28 8.599 11.341 -5.640 213 HE2 HIS 28 HE2 HIS 28 8.608 10.074 -7.828 214 H ALA 29 HN ALA 29 3.362 10.925 -5.044 215 HA ALA 29 HA ALA 29 2.430 12.630 -3.178 216 HB1 ALA 29 HB1 ALA 29 4.430 10.405 -2.705 217 HB2 ALA 29 HB2 ALA 29 2.688 10.206 -2.904 218 HB3 ALA 29 HB3 ALA 29 3.319 11.080 -1.509 219 H ILE 30 HN ILE 30 5.775 12.546 -4.284 220 HA ILE 30 HA ILE 30 6.653 14.258 -2.041 221 HB ILE 30 HB ILE 30 8.281 12.596 -4.013 222 HG12 ILE 30 HG12 ILE 30 7.782 12.302 -1.020 223 HG13 ILE 30 HG11 ILE 30 7.213 11.224 -2.292 224 HG21 ILE 30 HG21 ILE 30 9.554 14.639 -3.517 225 HG22 ILE 30 HG22 ILE 30 10.303 13.247 -2.731 226 HG23 ILE 30 HG23 ILE 30 9.337 14.380 -1.782 227 HD11 ILE 30 HD11 ILE 30 10.090 11.644 -1.474 228 HD12 ILE 30 HD12 ILE 30 9.525 10.564 -2.755 229 HD13 ILE 30 HD13 ILE 30 9.071 10.260 -1.079 230 H ASP 31 HN ASP 31 6.828 14.004 -5.603 231 HA ASP 31 HA ASP 31 8.314 16.487 -5.853 232 HB2 ASP 31 HB2 ASP 31 8.880 14.482 -7.210 233 HB3 ASP 31 HB1 ASP 31 7.307 14.561 -7.995 234 H ASP 32 HN ASP 32 5.006 15.409 -6.399 235 HA ASP 32 HA ASP 32 4.285 17.866 -7.851 236 HB2 ASP 32 HB2 ASP 32 3.486 15.664 -8.714 237 HB3 ASP 32 HB1 ASP 32 2.590 15.413 -7.224 238 H LEU 33 HN LEU 33 3.280 16.045 -4.907 239 HA LEU 33 HA LEU 33 1.394 18.048 -4.067 240 HB2 LEU 33 HB2 LEU 33 2.585 15.687 -2.571 241 HB3 LEU 33 HB1 LEU 33 1.279 16.685 -1.952 242 HG LEU 33 HG LEU 33 1.160 14.861 -4.385 243 HD11 LEU 33 HD11 LEU 33 -0.452 13.578 -3.055 244 HD12 LEU 33 HD12 LEU 33 -0.208 14.662 -1.682 245 HD13 LEU 33 HD13 LEU 33 1.123 13.660 -2.271 246 HD21 LEU 33 HD21 LEU 33 -1.239 15.461 -4.522 247 HD22 LEU 33 HD22 LEU 33 -0.186 16.832 -4.844 248 HD23 LEU 33 HD23 LEU 33 -0.997 16.697 -3.282 249 H GLY 34 HN GLY 34 4.764 17.947 -3.840 250 HA2 GLY 34 HA2 GLY 34 6.293 19.342 -2.844 251 HA3 GLY 34 HA1 GLY 34 4.951 20.317 -2.268 252 H ILE 35 HN ILE 35 5.489 16.915 -1.575 253 HA ILE 35 HA ILE 35 5.854 17.505 1.313 254 HB ILE 35 HB ILE 35 5.037 14.879 -0.035 255 HG12 ILE 35 HG12 ILE 35 3.218 16.812 1.469 256 HG13 ILE 35 HG11 ILE 35 3.310 16.720 -0.287 257 HG21 ILE 35 HG21 ILE 35 5.021 15.652 2.904 258 HG22 ILE 35 HG22 ILE 35 6.144 14.529 2.132 259 HG23 ILE 35 HG23 ILE 35 4.430 14.128 2.240 260 HD11 ILE 35 HD11 ILE 35 2.385 14.526 1.566 261 HD12 ILE 35 HD12 ILE 35 2.508 14.393 -0.191 262 HD13 ILE 35 HD13 ILE 35 1.380 15.538 0.534 263 H ASP 36 HN ASP 36 7.907 17.078 2.124 264 HA ASP 36 HA ASP 36 9.962 15.952 0.441 265 HB2 ASP 36 HB2 ASP 36 10.464 17.732 2.092 266 HB3 ASP 36 HB1 ASP 36 10.001 16.658 3.408 267 H SER 37 HN SER 37 11.197 14.037 0.989 268 HA SER 37 HA SER 37 9.691 11.694 1.136 269 HB2 SER 37 HB2 SER 37 11.929 10.586 1.364 270 HB3 SER 37 HB1 SER 37 11.898 11.820 0.098 271 H LEU 38 HN LEU 38 11.537 13.371 3.667 272 HA LEU 38 HA LEU 38 11.367 11.402 5.698 273 HB2 LEU 38 HB2 LEU 38 11.653 14.413 6.065 274 HB3 LEU 38 HB1 LEU 38 11.998 13.186 7.279 275 HG LEU 38 HG LEU 38 13.531 13.663 4.696 276 HD11 LEU 38 HD11 LEU 38 15.392 14.282 6.149 277 HD12 LEU 38 HD12 LEU 38 14.377 14.055 7.579 278 HD13 LEU 38 HD13 LEU 38 13.991 15.320 6.407 279 HD21 LEU 38 HD21 LEU 38 15.092 11.891 5.454 280 HD22 LEU 38 HD22 LEU 38 13.486 11.268 5.097 281 HD23 LEU 38 HD23 LEU 38 13.986 11.491 6.774 282 H ASP 39 HN ASP 39 9.244 14.069 4.774 283 HA ASP 39 HA ASP 39 7.337 13.694 6.912 284 HB2 ASP 39 HB2 ASP 39 7.042 15.165 4.246 285 HB3 ASP 39 HB1 ASP 39 5.920 15.272 5.605 286 H PHE 40 HN PHE 40 7.783 12.463 3.637 287 HA PHE 40 HA PHE 40 5.235 11.185 3.420 288 HB2 PHE 40 HB2 PHE 40 6.559 11.737 1.398 289 HB3 PHE 40 HB1 PHE 40 7.831 10.626 1.904 290 HD1 PHE 40 HD1 PHE 40 4.134 10.654 1.173 291 HD2 PHE 40 HD2 PHE 40 7.787 8.420 1.039 292 HE1 PHE 40 HE1 PHE 40 2.969 8.799 0.061 293 HE2 PHE 40 HE2 PHE 40 6.609 6.577 -0.084 294 HZ PHE 40 HZ PHE 40 4.201 6.758 -0.573 295 H LEU 41 HN LEU 41 8.225 10.340 5.039 296 HA LEU 41 HA LEU 41 7.831 7.549 5.390 297 HB2 LEU 41 HB2 LEU 41 9.162 9.554 7.256 298 HB3 LEU 41 HB1 LEU 41 9.263 7.809 7.437 299 HG LEU 41 HG LEU 41 10.426 9.465 5.164 300 HD11 LEU 41 HD11 LEU 41 11.816 7.908 7.369 301 HD12 LEU 41 HD12 LEU 41 11.694 9.666 7.234 302 HD13 LEU 41 HD13 LEU 41 12.600 8.757 6.032 303 HD21 LEU 41 HD21 LEU 41 9.639 7.334 4.273 304 HD22 LEU 41 HD22 LEU 41 10.512 6.450 5.528 305 HD23 LEU 41 HD23 LEU 41 11.399 7.373 4.312 306 H ASP 42 HN ASP 42 6.717 10.380 7.246 307 HA ASP 42 HA ASP 42 5.215 9.086 9.266 308 HB2 ASP 42 HB2 ASP 42 4.743 11.802 7.939 309 HB3 ASP 42 HB1 ASP 42 3.935 11.261 9.408 310 H ILE 43 HN ILE 43 4.335 10.224 6.006 311 HA ILE 43 HA ILE 43 1.572 9.600 6.117 312 HB ILE 43 HB ILE 43 3.396 9.885 3.691 313 HG12 ILE 43 HG12 ILE 43 1.517 11.906 5.004 314 HG13 ILE 43 HG11 ILE 43 3.275 11.930 5.104 315 HG21 ILE 43 HG21 ILE 43 1.344 10.240 2.350 316 HG22 ILE 43 HG22 ILE 43 0.351 9.890 3.764 317 HG23 ILE 43 HG23 ILE 43 1.367 8.628 3.067 318 HD11 ILE 43 HD11 ILE 43 2.495 13.556 3.517 319 HD12 ILE 43 HD12 ILE 43 1.621 12.320 2.613 320 HD13 ILE 43 HD13 ILE 43 3.387 12.290 2.676 321 H ALA 44 HN ALA 44 4.408 7.629 5.091 322 HA ALA 44 HA ALA 44 2.855 5.698 3.639 323 HB1 ALA 44 HB1 ALA 44 5.758 5.603 4.568 324 HB2 ALA 44 HB2 ALA 44 5.188 6.188 3.004 325 HB3 ALA 44 HB3 ALA 44 5.002 4.486 3.425 326 H PHE 45 HN PHE 45 4.408 5.930 6.802 327 HA PHE 45 HA PHE 45 3.775 3.253 7.683 328 HB2 PHE 45 HB2 PHE 45 4.908 5.720 9.056 329 HB3 PHE 45 HB1 PHE 45 4.440 4.307 10.001 330 HD1 PHE 45 HD2 PHE 45 6.206 4.634 6.680 331 HD2 PHE 45 HD1 PHE 45 6.389 3.214 10.713 332 HE1 PHE 45 HE2 PHE 45 8.363 3.551 6.207 333 HE2 PHE 45 HE1 PHE 45 8.545 2.132 10.231 334 HZ PHE 45 HZ PHE 45 9.536 2.296 7.976 335 H ALA 46 HN ALA 46 2.156 6.341 7.776 336 HA ALA 46 HA ALA 46 0.116 5.657 9.666 337 HB1 ALA 46 HB1 ALA 46 -1.113 7.592 8.743 338 HB2 ALA 46 HB2 ALA 46 0.046 7.697 7.413 339 HB3 ALA 46 HB3 ALA 46 0.573 8.002 9.070 340 H ILE 47 HN ILE 47 0.440 5.416 6.150 341 HA ILE 47 HA ILE 47 -2.107 4.325 5.521 342 HB ILE 47 HB ILE 47 0.583 4.129 4.094 343 HG12 ILE 47 HG12 ILE 47 -1.833 5.846 3.392 344 HG13 ILE 47 HG11 ILE 47 -0.458 6.430 4.321 345 HG21 ILE 47 HG21 ILE 47 -0.632 3.431 2.066 346 HG22 ILE 47 HG22 ILE 47 -2.123 3.307 3.000 347 HG23 ILE 47 HG23 ILE 47 -0.762 2.240 3.358 348 HD11 ILE 47 HD11 ILE 47 -0.368 5.444 1.467 349 HD12 ILE 47 HD12 ILE 47 1.008 6.061 2.388 350 HD13 ILE 47 HD13 ILE 47 -0.344 7.124 1.994 351 H ASP 48 HN ASP 48 1.038 2.814 6.221 352 HA ASP 48 HA ASP 48 0.502 0.133 5.777 353 HB2 ASP 48 HB2 ASP 48 2.341 1.408 7.847 354 HB3 ASP 48 HB1 ASP 48 2.370 -0.306 7.439 355 H LYS 49 HN LYS 49 0.289 1.895 8.843 356 HA LYS 49 HA LYS 49 -0.695 -0.245 10.424 357 HB2 LYS 49 HB2 LYS 49 -0.758 2.766 10.877 358 HB3 LYS 49 HB1 LYS 49 -1.144 1.572 12.114 359 HG2 LYS 49 HG2 LYS 49 1.138 0.702 12.052 360 HG3 LYS 49 HG1 LYS 49 1.538 1.765 10.705 361 HD2 LYS 49 HD2 LYS 49 2.497 2.767 12.634 362 HD3 LYS 49 HD1 LYS 49 1.074 3.735 12.256 363 HE2 LYS 49 HE2 LYS 49 1.131 1.560 14.387 364 HE3 LYS 49 HE1 LYS 49 1.423 3.265 14.717 365 HZ1 LYS 49 HZ1 LYS 49 -0.812 3.749 13.909 366 HZ2 LYS 49 HZ2 LYS 49 -0.836 2.676 15.210 367 HZ3 LYS 49 HZ3 LYS 49 -1.089 2.100 13.646 368 H ALA 50 HN ALA 50 -2.311 2.345 8.602 369 HA ALA 50 HA ALA 50 -4.959 1.934 9.444 370 HB1 ALA 50 HB1 ALA 50 -5.613 3.153 7.411 371 HB2 ALA 50 HB2 ALA 50 -3.991 2.941 6.745 372 HB3 ALA 50 HB3 ALA 50 -4.229 3.928 8.188 373 H PHE 51 HN PHE 51 -3.145 0.477 6.766 374 HA PHE 51 HA PHE 51 -5.405 -1.214 5.953 375 HB2 PHE 51 HB2 PHE 51 -2.687 -0.634 4.715 376 HB3 PHE 51 HB1 PHE 51 -3.738 -1.901 4.093 377 HD1 PHE 51 HD2 PHE 51 -3.390 1.767 4.514 378 HD2 PHE 51 HD1 PHE 51 -5.724 -1.379 2.818 379 HE1 PHE 51 HE2 PHE 51 -4.582 3.404 3.127 380 HE2 PHE 51 HE1 PHE 51 -6.919 0.263 1.433 381 HZ PHE 51 HZ PHE 51 -6.342 2.649 1.587 382 H GLY 52 HN GLY 52 -3.053 -1.539 8.261 383 HA2 GLY 52 HA2 GLY 52 -2.377 -3.312 9.545 384 HA3 GLY 52 HA1 GLY 52 -3.588 -4.279 8.722 385 H ILE 53 HN ILE 53 -1.088 -2.710 6.905 386 HA ILE 53 HA ILE 53 0.435 -5.224 6.532 387 HB ILE 53 HB ILE 53 0.733 -4.636 4.130 388 HG12 ILE 53 HG12 ILE 53 -1.446 -2.516 4.403 389 HG13 ILE 53 HG11 ILE 53 0.255 -2.093 4.518 390 HG21 ILE 53 HG21 ILE 53 -1.520 -5.250 3.308 391 HG22 ILE 53 HG22 ILE 53 -2.197 -4.898 4.903 392 HG23 ILE 53 HG23 ILE 53 -1.042 -6.220 4.707 393 HD11 ILE 53 HD11 ILE 53 -1.104 -3.356 2.140 394 HD12 ILE 53 HD12 ILE 53 0.610 -2.931 2.246 395 HD13 ILE 53 HD13 ILE 53 -0.620 -1.669 2.309 396 H LYS 54 HN LYS 54 2.453 -4.302 4.942 397 HA LYS 54 HA LYS 54 3.336 -1.652 5.866 398 HB2 LYS 54 HB2 LYS 54 4.638 -3.438 7.111 399 HB3 LYS 54 HB1 LYS 54 5.218 -4.052 5.561 400 HG2 LYS 54 HG2 LYS 54 6.125 -1.662 5.164 401 HG3 LYS 54 HG1 LYS 54 5.824 -1.393 6.882 402 HD2 LYS 54 HD2 LYS 54 7.379 -3.203 7.460 403 HD3 LYS 54 HD1 LYS 54 7.620 -3.571 5.745 404 HE2 LYS 54 HE2 LYS 54 8.617 -1.335 5.401 405 HE3 LYS 54 HE1 LYS 54 8.348 -0.947 7.105 406 HZ1 LYS 54 HZ1 LYS 54 10.614 -1.645 6.662 407 HZ2 LYS 54 HZ2 LYS 54 10.065 -3.139 6.096 408 HZ3 LYS 54 HZ3 LYS 54 9.838 -2.718 7.716 409 H LEU 55 HN LEU 55 4.272 -0.418 4.212 410 HA LEU 55 HA LEU 55 4.654 -1.609 1.553 411 HB2 LEU 55 HB2 LEU 55 4.980 1.256 2.545 412 HB3 LEU 55 HB1 LEU 55 5.212 0.741 0.878 413 HG LEU 55 HG LEU 55 2.591 0.620 2.423 414 HD11 LEU 55 HD11 LEU 55 3.413 2.481 0.176 415 HD12 LEU 55 HD12 LEU 55 3.185 2.913 1.873 416 HD13 LEU 55 HD13 LEU 55 1.810 2.383 0.912 417 HD21 LEU 55 HD21 LEU 55 3.100 -0.103 -0.486 418 HD22 LEU 55 HD22 LEU 55 1.543 -0.109 0.342 419 HD23 LEU 55 HD23 LEU 55 2.790 -1.247 0.823 420 HA PRO 56 HA PRO 56 9.047 -2.177 2.625 421 HB2 PRO 56 HB2 PRO 56 9.935 -3.136 0.233 422 HB3 PRO 56 HB1 PRO 56 8.938 -4.121 1.316 423 HG2 PRO 56 HG2 PRO 56 8.112 -2.550 -1.124 424 HG3 PRO 56 HG1 PRO 56 7.643 -4.196 -0.645 425 HD2 PRO 56 HD2 PRO 56 6.047 -2.008 -0.201 426 HD3 PRO 56 HD1 PRO 56 6.028 -3.441 0.851 427 H LEU 57 HN LEU 57 8.858 0.256 2.766 428 HA LEU 57 HA LEU 57 9.243 1.997 0.572 429 HB2 LEU 57 HB2 LEU 57 8.205 2.408 2.954 430 HB3 LEU 57 HB1 LEU 57 9.843 2.690 3.483 431 HG LEU 57 HG LEU 57 8.581 4.786 3.105 432 HD11 LEU 57 HD11 LEU 57 10.178 6.049 1.797 433 HD12 LEU 57 HD12 LEU 57 10.835 4.560 1.107 434 HD13 LEU 57 HD13 LEU 57 11.005 4.885 2.833 435 HD21 LEU 57 HD21 LEU 57 7.905 5.502 0.858 436 HD22 LEU 57 HD22 LEU 57 7.068 4.037 1.361 437 HD23 LEU 57 HD23 LEU 57 8.399 3.936 0.202 438 H GLU 58 HN GLU 58 11.405 0.441 2.859 439 HA GLU 58 HA GLU 58 13.771 1.968 2.414 440 HB2 GLU 58 HB2 GLU 58 13.648 -0.959 3.317 441 HB3 GLU 58 HB1 GLU 58 14.974 0.165 3.566 442 HG2 GLU 58 HG2 GLU 58 13.902 -0.070 5.665 443 HG3 GLU 58 HG1 GLU 58 13.424 1.511 5.053 444 H LYS 59 HN LYS 59 12.568 -1.110 1.166 445 HA LYS 59 HA LYS 59 14.689 -1.762 -0.573 446 HB2 LYS 59 HB2 LYS 59 12.996 -3.396 0.208 447 HB3 LYS 59 HB1 LYS 59 11.748 -2.563 -0.711 448 HG2 LYS 59 HG2 LYS 59 12.882 -3.163 -2.817 449 HG3 LYS 59 HG1 LYS 59 14.170 -3.962 -1.911 450 HD2 LYS 59 HD2 LYS 59 11.234 -4.783 -1.932 451 HD3 LYS 59 HD1 LYS 59 12.538 -5.586 -2.815 452 HE2 LYS 59 HE2 LYS 59 13.636 -6.148 -0.651 453 HE3 LYS 59 HE1 LYS 59 12.307 -5.364 0.212 454 HZ1 LYS 59 HZ1 LYS 59 12.042 -7.752 0.106 455 HZ2 LYS 59 HZ2 LYS 59 12.044 -7.707 -1.587 456 HZ3 LYS 59 HZ3 LYS 59 10.793 -6.973 -0.715 457 H TRP 60 HN TRP 60 11.597 -0.078 -1.091 458 HA TRP 60 HA TRP 60 11.785 0.388 -3.847 459 HB2 TRP 60 HB2 TRP 60 10.346 1.949 -1.664 460 HB3 TRP 60 HB1 TRP 60 10.200 2.347 -3.372 461 HD1 TRP 60 HD1 TRP 60 10.229 -1.221 -3.613 462 HE1 TRP 60 HE1 TRP 60 7.870 -2.221 -3.556 463 HE3 TRP 60 HE3 TRP 60 7.676 2.796 -1.713 464 HZ2 TRP 60 HZ2 TRP 60 5.276 -1.441 -2.821 465 HZ3 TRP 60 HZ3 TRP 60 5.246 2.577 -1.367 466 HH2 TRP 60 HH2 TRP 60 4.073 0.501 -1.910 467 H THR 61 HN THR 61 12.904 2.343 -1.086 468 HA THR 61 HA THR 61 13.766 4.621 -2.479 469 HB THR 61 HB THR 61 14.809 3.470 0.145 470 HG1 THR 61 HG1 THR 61 12.491 4.226 -0.179 471 HG21 THR 61 HG21 THR 61 15.632 5.758 0.654 472 HG22 THR 61 HG22 THR 61 15.185 6.280 -0.970 473 HG23 THR 61 HG23 THR 61 16.454 5.076 -0.752 474 H GLN 62 HN GLN 62 15.475 1.548 -1.719 475 HA GLN 62 HA GLN 62 18.069 2.569 -2.465 476 HB2 GLN 62 HB2 GLN 62 17.156 -0.282 -1.882 477 HB3 GLN 62 HB1 GLN 62 18.829 0.231 -2.063 478 HG2 GLN 62 HG2 GLN 62 16.956 1.188 0.119 479 HG3 GLN 62 HG1 GLN 62 18.115 -0.124 0.290 480 HE21 GLN 62 HE21 GLN 62 19.256 0.848 1.936 481 HE22 GLN 62 HE22 GLN 62 20.233 2.259 1.723 482 H GLU 63 HN GLU 63 15.663 0.343 -3.858 483 HA GLU 63 HA GLU 63 17.183 -0.402 -6.130 484 HB2 GLU 63 HB2 GLU 63 14.167 -0.503 -5.696 485 HB3 GLU 63 HB1 GLU 63 15.007 -1.248 -7.055 486 HG2 GLU 63 HG2 GLU 63 16.357 -2.548 -5.294 487 HG3 GLU 63 HG1 GLU 63 15.158 -1.995 -4.129 488 H VAL 64 HN VAL 64 14.809 2.193 -5.608 489 HA VAL 64 HA VAL 64 14.705 3.250 -8.211 490 HB VAL 64 HB VAL 64 14.376 4.595 -5.501 491 HG11 VAL 64 HG11 VAL 64 13.432 6.575 -6.680 492 HG12 VAL 64 HG12 VAL 64 13.922 5.881 -8.227 493 HG13 VAL 64 HG13 VAL 64 15.144 6.349 -7.042 494 HG21 VAL 64 HG21 VAL 64 12.616 2.979 -6.113 495 HG22 VAL 64 HG22 VAL 64 12.343 3.820 -7.636 496 HG23 VAL 64 HG23 VAL 64 11.964 4.619 -6.108 497 H ASN 65 HN ASN 65 16.891 3.998 -5.495 498 HA ASN 65 HA ASN 65 18.489 5.962 -6.682 499 HB2 ASN 65 HB2 ASN 65 19.121 3.961 -4.474 500 HB3 ASN 65 HB1 ASN 65 20.216 5.268 -4.920 501 HD21 ASN 65 HD21 ASN 65 18.752 4.715 -2.415 502 HD22 ASN 65 HD22 ASN 65 17.845 6.148 -2.083 503 H ASP 66 HN ASP 66 18.807 2.434 -6.792 504 HA ASP 66 HA ASP 66 21.357 2.538 -8.247 505 HB2 ASP 66 HB2 ASP 66 19.706 0.247 -7.115 506 HB3 ASP 66 HB1 ASP 66 21.129 -0.028 -8.114 507 H GLY 67 HN GLY 67 18.401 3.122 -9.317 508 HA2 GLY 67 HA2 GLY 67 17.490 3.182 -11.416 509 HA3 GLY 67 HA1 GLY 67 18.962 2.449 -12.035 510 H LYS 68 HN LYS 68 17.750 0.449 -9.647 511 HA LYS 68 HA LYS 68 16.904 -1.645 -11.399 512 HB2 LYS 68 HB2 LYS 68 16.342 -1.356 -8.413 513 HB3 LYS 68 HB1 LYS 68 16.299 -2.849 -9.343 514 HG2 LYS 68 HG2 LYS 68 18.706 -2.838 -9.599 515 HG3 LYS 68 HG1 LYS 68 18.823 -1.216 -8.893 516 HD2 LYS 68 HD2 LYS 68 17.922 -2.133 -6.738 517 HD3 LYS 68 HD1 LYS 68 17.898 -3.744 -7.462 518 HE2 LYS 68 HE2 LYS 68 20.410 -2.069 -7.106 519 HE3 LYS 68 HE1 LYS 68 19.876 -3.320 -5.986 520 HZ1 LYS 68 HZ1 LYS 68 20.566 -3.754 -8.838 521 HZ2 LYS 68 HZ2 LYS 68 20.077 -4.945 -7.747 522 HZ3 LYS 68 HZ3 LYS 68 21.546 -4.140 -7.516 523 H ALA 69 HN ALA 69 15.305 0.798 -9.478 524 HA ALA 69 HA ALA 69 12.785 0.484 -10.993 525 HB1 ALA 69 HB1 ALA 69 11.507 1.025 -8.947 526 HB2 ALA 69 HB2 ALA 69 12.997 1.055 -8.003 527 HB3 ALA 69 HB3 ALA 69 12.438 -0.456 -8.723 528 H THR 70 HN THR 70 11.434 2.679 -10.528 529 HA THR 70 HA THR 70 13.234 5.025 -10.395 530 HB THR 70 HB THR 70 11.522 6.061 -12.073 531 HG1 THR 70 HG1 THR 70 9.991 4.762 -12.643 532 HG21 THR 70 HG21 THR 70 13.394 3.899 -13.094 533 HG22 THR 70 HG22 THR 70 13.832 5.577 -12.751 534 HG23 THR 70 HG23 THR 70 12.699 5.205 -14.053 535 H THR 71 HN THR 71 11.937 7.087 -9.930 536 HA THR 71 HA THR 71 10.823 6.763 -7.364 537 HB THR 71 HB THR 71 10.210 9.265 -7.575 538 HG1 THR 71 HG1 THR 71 10.835 10.323 -9.412 539 HG21 THR 71 HG21 THR 71 13.091 8.515 -8.196 540 HG22 THR 71 HG22 THR 71 12.373 8.580 -6.587 541 HG23 THR 71 HG23 THR 71 12.543 10.057 -7.537 542 H GLU 72 HN GLU 72 9.135 8.201 -10.188 543 HA GLU 72 HA GLU 72 6.614 8.317 -9.028 544 HB2 GLU 72 HB2 GLU 72 5.735 8.848 -11.235 545 HB3 GLU 72 HB1 GLU 72 7.286 9.638 -11.012 546 HG2 GLU 72 HG2 GLU 72 6.802 7.124 -12.643 547 HG3 GLU 72 HG1 GLU 72 6.961 8.753 -13.300 548 H GLN 73 HN GLN 73 8.145 5.613 -10.572 549 HA GLN 73 HA GLN 73 6.134 3.871 -11.252 550 HB2 GLN 73 HB2 GLN 73 8.583 3.405 -11.464 551 HB3 GLN 73 HB1 GLN 73 8.668 3.127 -9.730 552 HG2 GLN 73 HG2 GLN 73 7.072 1.203 -10.025 553 HG3 GLN 73 HG1 GLN 73 7.167 1.446 -11.769 554 HE21 GLN 73 HE21 GLN 73 7.895 -0.933 -10.311 555 HE22 GLN 73 HE22 GLN 73 9.579 -1.208 -10.586 556 H TYR 74 HN TYR 74 7.233 4.635 -7.960 557 HA TYR 74 HA TYR 74 5.014 2.997 -6.838 558 HB2 TYR 74 HB2 TYR 74 7.681 3.721 -5.529 559 HB3 TYR 74 HB1 TYR 74 6.373 2.834 -4.747 560 HD1 TYR 74 HD2 TYR 74 5.629 0.597 -5.807 561 HD2 TYR 74 HD1 TYR 74 9.319 2.520 -6.787 562 HE1 TYR 74 HE2 TYR 74 6.492 -1.516 -6.704 563 HE2 TYR 74 HE1 TYR 74 10.170 0.411 -7.693 564 HH TYR 74 HH TYR 74 9.776 -1.988 -7.458 565 H PHE 75 HN PHE 75 6.492 6.157 -7.007 566 HA PHE 75 HA PHE 75 5.151 7.103 -4.577 567 HB2 PHE 75 HB2 PHE 75 7.411 8.210 -6.282 568 HB3 PHE 75 HB1 PHE 75 6.665 9.134 -4.985 569 HD1 PHE 75 HD1 PHE 75 8.595 5.969 -5.660 570 HD2 PHE 75 HD2 PHE 75 7.376 8.843 -2.733 571 HE1 PHE 75 HE1 PHE 75 10.157 4.988 -4.034 572 HE2 PHE 75 HE2 PHE 75 8.945 7.860 -1.126 573 HZ PHE 75 HZ PHE 75 10.333 5.924 -1.762 574 H VAL 76 HN VAL 76 4.066 6.773 -7.615 575 HA VAL 76 HA VAL 76 2.533 9.319 -7.551 576 HB VAL 76 HB VAL 76 2.603 7.087 -9.643 577 HG11 VAL 76 HG11 VAL 76 0.918 8.347 -10.943 578 HG12 VAL 76 HG12 VAL 76 0.738 9.498 -9.618 579 HG13 VAL 76 HG13 VAL 76 0.247 7.815 -9.399 580 HG21 VAL 76 HG21 VAL 76 3.362 8.873 -11.162 581 HG22 VAL 76 HG22 VAL 76 4.439 8.731 -9.772 582 HG23 VAL 76 HG23 VAL 76 3.267 10.048 -9.846 583 H LEU 77 HN LEU 77 0.504 9.314 -6.802 584 HA LEU 77 HA LEU 77 -0.101 7.615 -4.727 585 HB2 LEU 77 HB2 LEU 77 -1.958 9.514 -6.183 586 HB3 LEU 77 HB1 LEU 77 -2.265 8.826 -4.592 587 HG LEU 77 HG LEU 77 0.053 10.672 -5.289 588 HD11 LEU 77 HD11 LEU 77 -1.075 12.331 -3.923 589 HD12 LEU 77 HD12 LEU 77 -2.439 11.236 -3.681 590 HD13 LEU 77 HD13 LEU 77 -2.067 11.850 -5.297 591 HD21 LEU 77 HD21 LEU 77 0.709 9.104 -3.538 592 HD22 LEU 77 HD22 LEU 77 -0.742 9.490 -2.606 593 HD23 LEU 77 HD23 LEU 77 0.501 10.719 -2.862 594 H LYS 78 HN LYS 78 -1.322 7.334 -8.054 595 HA LYS 78 HA LYS 78 -3.312 5.329 -7.382 596 HB2 LYS 78 HB2 LYS 78 -3.640 5.078 -9.809 597 HB3 LYS 78 HB1 LYS 78 -3.663 6.774 -9.333 598 HG2 LYS 78 HG2 LYS 78 -1.336 7.026 -10.139 599 HG3 LYS 78 HG1 LYS 78 -1.337 5.332 -10.646 600 HD2 LYS 78 HD2 LYS 78 -3.220 5.842 -12.205 601 HD3 LYS 78 HD1 LYS 78 -3.121 7.546 -11.733 602 HE2 LYS 78 HE2 LYS 78 -1.936 7.147 -13.848 603 HE3 LYS 78 HE1 LYS 78 -0.803 7.643 -12.591 604 HZ1 LYS 78 HZ1 LYS 78 -0.210 5.302 -12.287 605 HZ2 LYS 78 HZ2 LYS 78 0.080 5.807 -13.871 606 HZ3 LYS 78 HZ3 LYS 78 -1.273 4.853 -13.518 607 H ASN 79 HN ASN 79 0.015 5.312 -8.582 608 HA ASN 79 HA ASN 79 0.285 2.498 -9.057 609 HB2 ASN 79 HB2 ASN 79 2.420 4.593 -8.414 610 HB3 ASN 79 HB1 ASN 79 2.757 2.957 -8.974 611 HD21 ASN 79 HD21 ASN 79 3.867 3.726 -10.769 612 HD22 ASN 79 HD22 ASN 79 3.068 4.438 -12.122 613 H LEU 80 HN LEU 80 1.115 4.628 -6.390 614 HA LEU 80 HA LEU 80 2.113 2.902 -4.478 615 HB2 LEU 80 HB2 LEU 80 2.097 5.446 -4.405 616 HB3 LEU 80 HB1 LEU 80 0.386 5.378 -4.024 617 HG LEU 80 HG LEU 80 0.949 4.144 -1.903 618 HD11 LEU 80 HD11 LEU 80 3.259 4.142 -1.069 619 HD12 LEU 80 HD12 LEU 80 3.829 4.757 -2.621 620 HD13 LEU 80 HD13 LEU 80 3.080 3.162 -2.521 621 HD21 LEU 80 HD21 LEU 80 1.751 6.100 -0.660 622 HD22 LEU 80 HD22 LEU 80 0.513 6.538 -1.833 623 HD23 LEU 80 HD23 LEU 80 2.211 6.888 -2.172 624 H ALA 81 HN ALA 81 -1.234 4.031 -5.039 625 HA ALA 81 HA ALA 81 -2.520 2.593 -2.984 626 HB1 ALA 81 HB1 ALA 81 -3.530 4.526 -4.110 627 HB2 ALA 81 HB2 ALA 81 -4.611 3.130 -4.163 628 HB3 ALA 81 HB3 ALA 81 -3.686 3.592 -5.595 629 H ALA 82 HN ALA 82 -1.697 1.684 -6.291 630 HA ALA 82 HA ALA 82 -3.201 -0.723 -6.437 631 HB1 ALA 82 HB1 ALA 82 -1.767 -1.255 -8.371 632 HB2 ALA 82 HB2 ALA 82 -0.680 0.067 -7.936 633 HB3 ALA 82 HB3 ALA 82 -2.333 0.416 -8.446 634 H ARG 83 HN ARG 83 0.135 0.043 -5.462 635 HA ARG 83 HA ARG 83 1.054 -2.599 -4.983 636 HB2 ARG 83 HB2 ARG 83 2.001 0.086 -3.893 637 HB3 ARG 83 HB1 ARG 83 2.864 -1.426 -3.626 638 HG2 ARG 83 HG2 ARG 83 2.329 -0.174 -6.348 639 HG3 ARG 83 HG1 ARG 83 3.853 -0.091 -5.455 640 HD2 ARG 83 HD2 ARG 83 4.135 -2.490 -5.598 641 HD3 ARG 83 HD1 ARG 83 2.542 -2.681 -6.328 642 HE ARG 83 HE ARG 83 3.856 -1.041 -8.057 643 HH11 ARG 83 HH11 ARG 83 4.611 -4.195 -6.719 644 HH12 ARG 83 HH12 ARG 83 5.512 -4.705 -8.111 645 HH21 ARG 83 HH21 ARG 83 4.988 -1.719 -9.883 646 HH22 ARG 83 HH22 ARG 83 5.680 -3.305 -9.925 647 H ILE 84 HN ILE 84 -0.391 -0.150 -2.844 648 HA ILE 84 HA ILE 84 -0.144 -1.464 -0.364 649 HB ILE 84 HB ILE 84 -2.304 0.490 -1.293 650 HG12 ILE 84 HG12 ILE 84 0.208 1.160 0.290 651 HG13 ILE 84 HG11 ILE 84 0.152 1.239 -1.462 652 HG21 ILE 84 HG21 ILE 84 -2.640 1.033 1.101 653 HG22 ILE 84 HG22 ILE 84 -1.491 -0.228 1.553 654 HG23 ILE 84 HG23 ILE 84 -3.009 -0.660 0.765 655 HD11 ILE 84 HD11 ILE 84 -0.110 3.406 -0.429 656 HD12 ILE 84 HD12 ILE 84 -1.558 2.853 0.411 657 HD13 ILE 84 HD13 ILE 84 -1.543 2.959 -1.351 658 H ASP 85 HN ASP 85 -2.897 -1.320 -2.637 659 HA ASP 85 HA ASP 85 -4.673 -3.016 -1.227 660 HB2 ASP 85 HB2 ASP 85 -5.371 -1.407 -3.008 661 HB3 ASP 85 HB1 ASP 85 -4.592 -2.419 -4.221 662 H GLU 86 HN GLU 86 -2.205 -3.677 -3.627 663 HA GLU 86 HA GLU 86 -2.763 -6.376 -4.206 664 HB2 GLU 86 HB2 GLU 86 -1.366 -4.858 -5.589 665 HB3 GLU 86 HB1 GLU 86 -0.161 -4.791 -4.307 666 HG2 GLU 86 HG2 GLU 86 0.283 -7.174 -4.589 667 HG3 GLU 86 HG1 GLU 86 -0.951 -7.263 -5.844 668 H LEU 87 HN LEU 87 -0.668 -4.774 -1.798 669 HA LEU 87 HA LEU 87 0.425 -7.203 -0.701 670 HB2 LEU 87 HB2 LEU 87 0.419 -4.345 0.341 671 HB3 LEU 87 HB1 LEU 87 1.281 -5.663 1.124 672 HG LEU 87 HG LEU 87 1.834 -4.595 -1.675 673 HD11 LEU 87 HD11 LEU 87 3.487 -4.326 0.852 674 HD12 LEU 87 HD12 LEU 87 2.559 -3.046 0.062 675 HD13 LEU 87 HD13 LEU 87 3.940 -3.763 -0.765 676 HD21 LEU 87 HD21 LEU 87 3.791 -6.107 -1.684 677 HD22 LEU 87 HD22 LEU 87 2.271 -6.990 -1.606 678 HD23 LEU 87 HD23 LEU 87 3.253 -6.807 -0.152 679 H VAL 88 HN VAL 88 -2.406 -5.210 -0.018 680 HA VAL 88 HA VAL 88 -3.169 -6.442 2.457 681 HB VAL 88 HB VAL 88 -4.848 -4.962 0.367 682 HG11 VAL 88 HG11 VAL 88 -5.700 -5.858 3.153 683 HG12 VAL 88 HG12 VAL 88 -6.345 -6.461 1.622 684 HG13 VAL 88 HG13 VAL 88 -6.630 -4.786 2.101 685 HG21 VAL 88 HG21 VAL 88 -3.145 -3.557 1.504 686 HG22 VAL 88 HG22 VAL 88 -3.802 -4.027 3.072 687 HG23 VAL 88 HG23 VAL 88 -4.782 -3.074 1.958 688 H ALA 89 HN ALA 89 -3.798 -7.125 -0.954 689 HA ALA 89 HA ALA 89 -5.688 -9.224 -0.651 690 HB1 ALA 89 HB1 ALA 89 -3.764 -8.676 -2.945 691 HB2 ALA 89 HB2 ALA 89 -5.389 -8.008 -2.768 692 HB3 ALA 89 HB3 ALA 89 -5.172 -9.741 -3.012 693 H ALA 90 HN ALA 90 -2.188 -9.245 -1.244 694 HA ALA 90 HA ALA 90 -1.724 -12.015 -1.126 695 HB1 ALA 90 HB1 ALA 90 0.651 -11.397 -0.849 696 HB2 ALA 90 HB2 ALA 90 0.180 -9.734 -0.479 697 HB3 ALA 90 HB3 ALA 90 -0.126 -10.399 -2.085 698 H LYS 91 HN LYS 91 -1.952 -9.573 1.408 699 HA LYS 91 HA LYS 91 -0.866 -11.176 3.540 700 HB2 LYS 91 HB2 LYS 91 -0.782 -8.673 3.483 701 HB3 LYS 91 HB1 LYS 91 -2.519 -8.616 3.688 702 HG2 LYS 91 HG2 LYS 91 -0.746 -9.924 5.778 703 HG3 LYS 91 HG1 LYS 91 -0.954 -8.177 5.738 704 HD2 LYS 91 HD2 LYS 91 -3.151 -10.245 6.132 705 HD3 LYS 91 HD1 LYS 91 -2.485 -9.182 7.374 706 HE2 LYS 91 HE2 LYS 91 -3.379 -7.218 6.185 707 HE3 LYS 91 HE1 LYS 91 -3.995 -8.259 4.898 708 HZ1 LYS 91 HZ1 LYS 91 -5.728 -7.692 6.404 709 HZ2 LYS 91 HZ2 LYS 91 -4.847 -8.263 7.728 710 HZ3 LYS 91 HZ3 LYS 91 -5.394 -9.342 6.548 711 H GLY 92 HN GLY 92 -4.110 -10.453 2.284 712 HA2 GLY 92 HA2 GLY 92 -5.533 -11.537 4.539 713 HA3 GLY 92 HA1 GLY 92 -6.219 -11.068 2.993 714 H ALA 93 HN ALA 93 -5.489 -12.551 1.141 715 HA ALA 93 HA ALA 93 -4.477 -15.027 1.053 716 HB1 ALA 93 HB1 ALA 93 -6.308 -16.679 1.225 717 HB2 ALA 93 HB2 ALA 93 -7.418 -15.408 1.747 718 HB3 ALA 93 HB3 ALA 93 -6.057 -15.864 2.770 719 H LEU 94 HN LEU 94 -5.984 -12.506 -0.294 720 HA LEU 94 HA LEU 94 -7.628 -13.685 -2.349 721 HB2 LEU 94 HB2 LEU 94 -6.635 -10.808 -2.079 722 HB3 LEU 94 HB1 LEU 94 -7.858 -11.363 -3.199 723 HG LEU 94 HG LEU 94 -9.000 -10.204 -1.481 724 HD11 LEU 94 HD11 LEU 94 -10.468 -11.869 -0.476 725 HD12 LEU 94 HD12 LEU 94 -9.334 -13.151 -0.914 726 HD13 LEU 94 HD13 LEU 94 -10.138 -12.210 -2.173 727 HD21 LEU 94 HD21 LEU 94 -8.783 -10.622 0.914 728 HD22 LEU 94 HD22 LEU 94 -7.247 -10.128 0.205 729 HD23 LEU 94 HD23 LEU 94 -7.522 -11.825 0.611 730 H GLU 95 HN GLU 95 -7.197 -13.083 -4.654 731 HA GLU 95 HA GLU 95 -6.066 -13.359 -6.581 732 HB2 GLU 95 HB2 GLU 95 -3.483 -12.879 -5.025 733 HB3 GLU 95 HB1 GLU 95 -3.609 -12.974 -6.778 734 HG2 GLU 95 HG2 GLU 95 -4.992 -10.941 -6.806 735 HG3 GLU 95 HG1 GLU 95 -4.927 -10.861 -5.046 736 H HIS 96 HN HIS 96 -6.176 -15.397 -4.123 737 HA HIS 96 HA HIS 96 -5.898 -17.572 -3.698 738 HB2 HIS 96 HB2 HIS 96 -5.206 -17.821 -6.652 739 HB3 HIS 96 HB1 HIS 96 -5.571 -19.173 -5.582 740 HD1 HIS 96 HD1 HIS 96 -7.132 -16.925 -7.920 741 HD2 HIS 96 HD2 HIS 96 -8.334 -18.905 -4.464 742 HE1 HIS 96 HE1 HIS 96 -9.645 -16.926 -7.975 743 HE2 HIS 96 HE2 HIS 96 -10.349 -18.094 -5.864 744 H HIS 97 HN HIS 97 -4.283 -18.236 -2.408 745 HA HIS 97 HA HIS 97 -1.495 -17.634 -2.958 746 HB2 HIS 97 HB2 HIS 97 -1.066 -18.633 -0.713 747 HB3 HIS 97 HB1 HIS 97 -2.313 -17.396 -0.670 748 HD1 HIS 97 HD1 HIS 97 -1.695 -20.961 0.071 749 HD2 HIS 97 HD2 HIS 97 -4.969 -18.410 -0.181 750 HE1 HIS 97 HE1 HIS 97 -3.580 -22.171 1.196 751 HE2 HIS 97 HE2 HIS 97 -5.502 -20.555 1.167 752 H HIS 98 HN HIS 98 -1.883 -18.953 -5.015 753 HA HIS 98 HA HIS 98 -0.756 -21.636 -4.786 754 HB2 HIS 98 HB2 HIS 98 -3.374 -20.987 -6.226 755 HB3 HIS 98 HB1 HIS 98 -2.431 -22.428 -6.577 756 HD1 HIS 98 HD1 HIS 98 -2.821 -24.428 -5.152 757 HD2 HIS 98 HD2 HIS 98 -4.525 -21.004 -3.520 758 HE1 HIS 98 HE1 HIS 98 -4.250 -25.228 -3.249 759 HE2 HIS 98 HE2 HIS 98 -5.304 -23.150 -2.303 760 H HIS 99 HN HIS 99 -0.440 -22.388 -7.226 761 HA HIS 99 HA HIS 99 0.738 -20.186 -8.792 762 HB2 HIS 99 HB2 HIS 99 0.868 -23.217 -9.203 763 HB3 HIS 99 HB1 HIS 99 1.759 -22.012 -10.130 764 HD1 HIS 99 HD1 HIS 99 1.780 -23.887 -6.940 765 HD2 HIS 99 HD2 HIS 99 3.911 -20.808 -8.730 766 HE1 HIS 99 HE1 HIS 99 3.838 -23.597 -5.537 767 HE2 HIS 99 HE2 HIS 99 5.007 -21.601 -6.530 768 H HIS 100 HN HIS 100 0.054 -19.799 -10.923 769 HA HIS 100 HA HIS 100 -2.720 -20.046 -11.486 770 HB2 HIS 100 HB2 HIS 100 -0.442 -19.227 -13.348 771 HB3 HIS 100 HB1 HIS 100 -2.157 -18.981 -13.673 772 HD1 HIS 100 HD1 HIS 100 0.679 -17.197 -12.511 773 HD2 HIS 100 HD2 HIS 100 -3.337 -17.282 -11.445 774 HE1 HIS 100 HE1 HIS 100 0.247 -15.022 -11.333 775 HE2 HIS 100 HE2 HIS 100 -2.176 -15.105 -10.686 776 H HIS 101 HN HIS 101 -3.344 -22.163 -11.590 777 HA HIS 101 HA HIS 101 -2.073 -23.979 -13.545 778 HB2 HIS 101 HB2 HIS 101 -2.200 -24.794 -11.196 779 HB3 HIS 101 HB1 HIS 101 -3.954 -24.635 -11.232 780 HD1 HIS 101 HD1 HIS 101 -5.185 -26.690 -11.898 781 HD2 HIS 101 HD2 HIS 101 -1.245 -26.772 -13.219 782 HE1 HIS 101 HE1 HIS 101 -4.873 -28.957 -12.926 783 HE2 HIS 101 HE2 HIS 101 -2.423 -29.055 -13.527 784 H282 PNS 102 H282 PNS 102 13.855 13.484 -0.409 785 H281 PNS 102 H281 PNS 102 15.627 13.500 -0.384 786 H303 PNS 102 H303 PNS 102 13.492 11.385 -3.492 787 H302 PNS 102 H302 PNS 102 13.475 10.776 -1.834 788 H301 PNS 102 H301 PNS 102 12.605 12.258 -2.239 789 H313 PNS 102 H313 PNS 102 16.932 12.239 -2.172 790 H312 PNS 102 H312 PNS 102 16.036 10.771 -1.769 791 H311 PNS 102 H311 PNS 102 16.073 11.358 -3.434 792 H32 PNS 102 H32 PNS 102 13.886 14.413 -2.749 793 H33 PNS 102 H33 PNS 102 15.994 15.368 -3.273 794 H36 PNS 102 H36 PNS 102 16.792 13.272 -4.476 795 H372 PNS 102 H372 PNS 102 15.610 12.072 -6.724 796 H371 PNS 102 H371 PNS 102 15.785 13.796 -7.080 797 H382 PNS 102 H382 PNS 102 18.092 12.110 -6.096 798 H381 PNS 102 H381 PNS 102 17.685 12.214 -7.806 799 H41 PNS 102 H41 PNS 102 18.106 14.509 -5.048 800 H422 PNS 102 H422 PNS 102 19.066 16.683 -6.641 801 H421 PNS 102 H421 PNS 102 19.092 16.569 -4.882 802 H431 PNS 102 H431 PNS 102 21.122 15.315 -6.751 803 H432 PNS 102 H432 PNS 102 21.146 15.228 -4.984 804 H44 PNS 102 H44 PNS 102 23.029 17.110 -6.193 Start of MODEL 5 1 H1 MET 1 HT1 MET 1 -12.183 4.558 4.043 2 H2 MET 1 HT2 MET 1 -12.150 4.761 2.370 3 H3 MET 1 HT3 MET 1 -11.860 3.239 3.034 4 HA MET 1 HA MET 1 -14.093 3.183 3.920 5 HB2 MET 1 HB2 MET 1 -14.380 5.655 4.059 6 HB3 MET 1 HB1 MET 1 -14.457 5.747 2.303 7 HG2 MET 1 HG2 MET 1 -16.535 4.425 2.332 8 HG3 MET 1 HG1 MET 1 -16.445 4.310 4.091 9 HE1 MET 1 HE1 MET 1 -15.466 7.305 4.895 10 HE2 MET 1 HE2 MET 1 -16.749 6.422 5.725 11 HE3 MET 1 HE3 MET 1 -17.036 8.065 5.152 12 H THR 2 HN THR 2 -13.933 4.651 0.622 13 HA THR 2 HA THR 2 -15.564 2.405 -0.376 14 HB THR 2 HB THR 2 -15.998 3.953 -2.326 15 HG1 THR 2 HG1 THR 2 -15.281 6.280 -1.390 16 HG21 THR 2 HG21 THR 2 -17.428 5.562 -1.107 17 HG22 THR 2 HG22 THR 2 -16.598 5.173 0.400 18 HG23 THR 2 HG23 THR 2 -17.570 3.945 -0.410 19 H SER 3 HN SER 3 -12.309 3.549 -0.611 20 HA SER 3 HA SER 3 -11.573 1.653 -2.683 21 HB2 SER 3 HB2 SER 3 -12.347 3.500 -4.091 22 HB3 SER 3 HB1 SER 3 -11.398 4.664 -3.172 23 HG SER 3 HG SER 3 -10.431 4.024 -5.172 24 H THR 4 HN THR 4 -9.182 1.625 -3.018 25 HA THR 4 HA THR 4 -7.706 2.061 -0.592 26 HB THR 4 HB THR 4 -6.636 1.346 -3.363 27 HG1 THR 4 HG1 THR 4 -6.747 -0.676 -1.527 28 HG21 THR 4 HG21 THR 4 -4.707 0.398 -2.154 29 HG22 THR 4 HG22 THR 4 -5.363 0.978 -0.628 30 HG23 THR 4 HG23 THR 4 -4.848 2.134 -1.853 31 H PHE 5 HN PHE 5 -7.971 3.724 -3.744 32 HA PHE 5 HA PHE 5 -6.001 5.713 -3.248 33 HB2 PHE 5 HB2 PHE 5 -6.802 5.317 -5.542 34 HB3 PHE 5 HB1 PHE 5 -8.428 5.835 -5.097 35 HD1 PHE 5 HD1 PHE 5 -4.884 7.070 -5.255 36 HD2 PHE 5 HD2 PHE 5 -9.028 8.145 -5.331 37 HE1 PHE 5 HE1 PHE 5 -4.282 9.401 -5.726 38 HE2 PHE 5 HE2 PHE 5 -8.410 10.477 -5.817 39 HZ PHE 5 HZ PHE 5 -6.034 11.108 -6.007 40 H ASP 6 HN ASP 6 -9.517 5.599 -2.652 41 HA ASP 6 HA ASP 6 -9.896 8.215 -1.693 42 HB2 ASP 6 HB2 ASP 6 -12.058 7.488 -1.684 43 HB3 ASP 6 HB1 ASP 6 -11.513 5.843 -1.927 44 H ARG 7 HN ARG 7 -9.014 5.245 0.009 45 HA ARG 7 HA ARG 7 -8.733 6.226 2.608 46 HB2 ARG 7 HB2 ARG 7 -7.986 3.794 1.124 47 HB3 ARG 7 HB1 ARG 7 -6.751 4.194 2.302 48 HG2 ARG 7 HG2 ARG 7 -9.692 3.821 2.935 49 HG3 ARG 7 HG1 ARG 7 -8.425 2.610 3.177 50 HD2 ARG 7 HD2 ARG 7 -7.265 4.305 4.683 51 HD3 ARG 7 HD1 ARG 7 -8.730 5.287 4.574 52 HE ARG 7 HE ARG 7 -9.580 2.786 5.366 53 HH11 ARG 7 HH11 ARG 7 -7.511 5.293 6.699 54 HH12 ARG 7 HH12 ARG 7 -7.712 4.754 8.336 55 HH21 ARG 7 HH21 ARG 7 -9.817 2.073 7.506 56 HH22 ARG 7 HH22 ARG 7 -9.012 2.921 8.792 57 H VAL 8 HN VAL 8 -6.154 5.774 0.160 58 HA VAL 8 HA VAL 8 -4.011 6.729 1.700 59 HB VAL 8 HB VAL 8 -4.278 6.515 -1.334 60 HG11 VAL 8 HG11 VAL 8 -1.729 6.916 0.291 61 HG12 VAL 8 HG12 VAL 8 -2.451 8.094 -0.806 62 HG13 VAL 8 HG13 VAL 8 -1.798 6.584 -1.444 63 HG21 VAL 8 HG21 VAL 8 -2.981 4.640 0.689 64 HG22 VAL 8 HG22 VAL 8 -3.037 4.395 -1.060 65 HG23 VAL 8 HG23 VAL 8 -4.528 4.376 -0.118 66 H ALA 9 HN ALA 9 -6.057 8.405 -0.675 67 HA ALA 9 HA ALA 9 -4.820 10.899 -0.778 68 HB1 ALA 9 HB1 ALA 9 -6.981 11.746 -1.635 69 HB2 ALA 9 HB2 ALA 9 -7.789 10.277 -1.077 70 HB3 ALA 9 HB3 ALA 9 -6.583 10.189 -2.362 71 H THR 10 HN THR 10 -7.466 9.763 1.326 72 HA THR 10 HA THR 10 -7.757 12.090 2.887 73 HB THR 10 HB THR 10 -8.318 9.206 3.713 74 HG1 THR 10 HG1 THR 10 -10.534 10.503 3.043 75 HG21 THR 10 HG21 THR 10 -8.373 10.765 5.645 76 HG22 THR 10 HG22 THR 10 -9.988 10.177 5.258 77 HG23 THR 10 HG23 THR 10 -9.509 11.805 4.781 78 H ILE 11 HN ILE 11 -5.770 9.151 3.434 79 HA ILE 11 HA ILE 11 -4.810 9.701 5.982 80 HB ILE 11 HB ILE 11 -3.592 8.062 3.724 81 HG12 ILE 11 HG12 ILE 11 -5.059 7.163 6.251 82 HG13 ILE 11 HG11 ILE 11 -5.807 7.305 4.666 83 HG21 ILE 11 HG21 ILE 11 -2.154 6.961 5.434 84 HG22 ILE 11 HG22 ILE 11 -2.673 8.160 6.619 85 HG23 ILE 11 HG23 ILE 11 -1.747 8.661 5.203 86 HD11 ILE 11 HD11 ILE 11 -3.571 5.419 5.400 87 HD12 ILE 11 HD12 ILE 11 -4.330 5.558 3.810 88 HD13 ILE 11 HD13 ILE 11 -5.271 5.007 5.195 89 H ILE 12 HN ILE 12 -3.275 10.504 2.817 90 HA ILE 12 HA ILE 12 -0.909 11.643 3.918 91 HB ILE 12 HB ILE 12 -2.188 12.110 1.176 92 HG12 ILE 12 HG12 ILE 12 0.025 10.186 2.031 93 HG13 ILE 12 HG11 ILE 12 -1.616 9.725 1.590 94 HG21 ILE 12 HG21 ILE 12 -0.608 13.931 1.684 95 HG22 ILE 12 HG22 ILE 12 0.044 12.888 0.420 96 HG23 ILE 12 HG23 ILE 12 0.651 12.756 2.072 97 HD11 ILE 12 HD11 ILE 12 -1.194 10.515 -0.701 98 HD12 ILE 12 HD12 ILE 12 -0.072 9.252 -0.200 99 HD13 ILE 12 HD13 ILE 12 0.461 10.931 -0.244 100 H ALA 13 HN ALA 13 -4.022 12.976 2.865 101 HA ALA 13 HA ALA 13 -3.661 15.692 3.247 102 HB1 ALA 13 HB1 ALA 13 -6.099 15.840 3.495 103 HB2 ALA 13 HB2 ALA 13 -6.187 14.100 3.789 104 HB3 ALA 13 HB3 ALA 13 -5.669 14.703 2.215 105 H GLU 14 HN GLU 14 -4.732 13.283 5.680 106 HA GLU 14 HA GLU 14 -5.036 15.178 7.786 107 HB2 GLU 14 HB2 GLU 14 -4.702 12.166 8.080 108 HB3 GLU 14 HB1 GLU 14 -5.394 13.273 9.264 109 HG2 GLU 14 HG2 GLU 14 -6.579 12.339 6.645 110 HG3 GLU 14 HG1 GLU 14 -7.203 12.095 8.266 111 H THR 15 HN THR 15 -2.346 13.166 6.704 112 HA THR 15 HA THR 15 -0.836 13.253 9.123 113 HB THR 15 HB THR 15 0.095 12.574 6.297 114 HG1 THR 15 HG1 THR 15 -1.037 10.835 6.680 115 HG21 THR 15 HG21 THR 15 1.953 11.346 7.428 116 HG22 THR 15 HG22 THR 15 1.430 12.005 8.978 117 HG23 THR 15 HG23 THR 15 2.041 13.086 7.725 118 H CYS 16 HN CYS 16 -0.437 15.001 5.985 119 HA CYS 16 HA CYS 16 1.602 16.742 7.257 120 HB2 CYS 16 HB2 CYS 16 1.221 16.049 4.319 121 HB3 CYS 16 HB1 CYS 16 2.532 17.015 5.002 122 HG CYS 16 HG CYS 16 3.141 14.635 6.710 123 H ASP 17 HN ASP 17 -1.476 17.005 7.048 124 HA ASP 17 HA ASP 17 -3.132 18.407 6.458 125 HB2 ASP 17 HB2 ASP 17 -1.853 19.653 8.260 126 HB3 ASP 17 HB1 ASP 17 -1.040 20.565 6.995 127 H ILE 18 HN ILE 18 -2.282 17.352 4.250 128 HA ILE 18 HA ILE 18 -1.720 19.364 2.184 129 HB ILE 18 HB ILE 18 -2.251 16.365 1.813 130 HG12 ILE 18 HG12 ILE 18 -0.254 16.661 3.229 131 HG13 ILE 18 HG11 ILE 18 0.195 16.044 1.644 132 HG21 ILE 18 HG21 ILE 18 -1.000 18.373 -0.098 133 HG22 ILE 18 HG22 ILE 18 -2.615 17.676 -0.241 134 HG23 ILE 18 HG23 ILE 18 -1.191 16.644 -0.399 135 HD11 ILE 18 HD11 ILE 18 1.780 17.697 2.433 136 HD12 ILE 18 HD12 ILE 18 0.497 18.893 2.603 137 HD13 ILE 18 HD13 ILE 18 0.942 18.298 1.002 138 HA PRO 19 HA PRO 19 -6.222 19.979 1.611 139 HB2 PRO 19 HB2 PRO 19 -5.414 20.703 -1.199 140 HB3 PRO 19 HB1 PRO 19 -6.444 21.587 -0.063 141 HG2 PRO 19 HG2 PRO 19 -3.945 22.402 -0.527 142 HG3 PRO 19 HG1 PRO 19 -4.608 22.455 1.123 143 HD2 PRO 19 HD2 PRO 19 -2.705 20.453 -0.103 144 HD3 PRO 19 HD1 PRO 19 -2.690 21.170 1.522 145 H ARG 20 HN ARG 20 -7.290 18.094 1.531 146 HA ARG 20 HA ARG 20 -6.692 15.777 0.118 147 HB2 ARG 20 HB2 ARG 20 -8.362 16.353 2.142 148 HB3 ARG 20 HB1 ARG 20 -9.563 16.396 0.868 149 HG2 ARG 20 HG2 ARG 20 -7.800 14.002 1.508 150 HG3 ARG 20 HG1 ARG 20 -9.437 14.228 2.112 151 HD2 ARG 20 HD2 ARG 20 -10.205 14.272 -0.305 152 HD3 ARG 20 HD1 ARG 20 -8.568 13.783 -0.756 153 HE ARG 20 HE ARG 20 -9.414 11.943 1.136 154 HH11 ARG 20 HH11 ARG 20 -10.471 12.906 -2.091 155 HH12 ARG 20 HH12 ARG 20 -11.219 11.379 -2.416 156 HH21 ARG 20 HH21 ARG 20 -10.420 9.978 0.686 157 HH22 ARG 20 HH22 ARG 20 -11.205 9.732 -0.844 158 H GLU 21 HN GLU 21 -8.632 18.561 -0.822 159 HA GLU 21 HA GLU 21 -10.000 17.524 -3.070 160 HB2 GLU 21 HB2 GLU 21 -10.347 19.962 -3.643 161 HB3 GLU 21 HB1 GLU 21 -10.804 19.539 -1.993 162 HG2 GLU 21 HG2 GLU 21 -8.766 20.523 -1.107 163 HG3 GLU 21 HG1 GLU 21 -8.140 20.801 -2.730 164 H THR 22 HN THR 22 -6.793 18.963 -2.682 165 HA THR 22 HA THR 22 -6.359 19.314 -5.543 166 HB THR 22 HB THR 22 -4.117 20.173 -4.923 167 HG1 THR 22 HG1 THR 22 -4.398 18.730 -2.748 168 HG21 THR 22 HG21 THR 22 -4.801 22.157 -3.621 169 HG22 THR 22 HG22 THR 22 -6.294 21.344 -3.147 170 HG23 THR 22 HG23 THR 22 -6.012 21.759 -4.839 171 H ILE 23 HN ILE 23 -6.145 16.676 -3.427 172 HA ILE 23 HA ILE 23 -3.758 15.436 -4.491 173 HB ILE 23 HB ILE 23 -5.944 14.471 -2.587 174 HG12 ILE 23 HG12 ILE 23 -3.032 15.277 -2.096 175 HG13 ILE 23 HG11 ILE 23 -4.451 16.224 -1.663 176 HG21 ILE 23 HG21 ILE 23 -4.537 12.499 -2.098 177 HG22 ILE 23 HG22 ILE 23 -3.430 12.977 -3.382 178 HG23 ILE 23 HG23 ILE 23 -5.083 12.509 -3.774 179 HD11 ILE 23 HD11 ILE 23 -3.681 13.554 -0.486 180 HD12 ILE 23 HD12 ILE 23 -5.099 14.511 -0.043 181 HD13 ILE 23 HD13 ILE 23 -3.480 15.135 0.266 182 H THR 24 HN THR 24 -3.878 14.869 -6.554 183 HA THR 24 HA THR 24 -6.303 13.656 -7.743 184 HB THR 24 HB THR 24 -5.190 14.239 -9.935 185 HG1 THR 24 HG1 THR 24 -3.398 15.966 -8.677 186 HG21 THR 24 HG21 THR 24 -5.509 16.609 -8.044 187 HG22 THR 24 HG22 THR 24 -6.816 15.819 -8.932 188 HG23 THR 24 HG23 THR 24 -5.552 16.675 -9.810 189 HA PRO 25 HA PRO 25 -4.346 9.641 -8.169 190 HB2 PRO 25 HB2 PRO 25 -5.225 9.506 -11.039 191 HB3 PRO 25 HB1 PRO 25 -5.592 8.414 -9.695 192 HG2 PRO 25 HG2 PRO 25 -7.458 10.089 -10.603 193 HG3 PRO 25 HG1 PRO 25 -7.287 9.800 -8.855 194 HD2 PRO 25 HD2 PRO 25 -6.272 12.134 -10.495 195 HD3 PRO 25 HD1 PRO 25 -7.128 12.146 -8.934 196 H GLU 26 HN GLU 26 -3.622 12.086 -10.629 197 HA GLU 26 HA GLU 26 -1.222 10.671 -11.575 198 HB2 GLU 26 HB2 GLU 26 -2.638 13.160 -12.633 199 HB3 GLU 26 HB1 GLU 26 -1.124 12.550 -13.281 200 HG2 GLU 26 HG2 GLU 26 -2.923 11.880 -14.726 201 HG3 GLU 26 HG1 GLU 26 -2.258 10.452 -13.937 202 H SER 27 HN SER 27 -1.888 12.446 -8.995 203 HA SER 27 HA SER 27 0.188 14.455 -9.045 204 HB2 SER 27 HB2 SER 27 -1.756 14.846 -7.616 205 HB3 SER 27 HB1 SER 27 -1.491 13.337 -6.751 206 HG SER 27 HG SER 27 -0.367 15.776 -6.360 207 H HIS 28 HN HIS 28 2.274 14.073 -8.632 208 HA HIS 28 HA HIS 28 3.149 11.464 -7.613 209 HB2 HIS 28 HB2 HIS 28 4.151 12.558 -9.691 210 HB3 HIS 28 HB1 HIS 28 4.847 13.782 -8.635 211 HD2 HIS 28 HD2 HIS 28 5.504 10.218 -9.886 212 HE1 HIS 28 HE1 HIS 28 8.450 11.150 -7.016 213 HE2 HIS 28 HE2 HIS 28 7.856 9.692 -8.985 214 H ALA 29 HN ALA 29 3.694 11.250 -5.459 215 HA ALA 29 HA ALA 29 3.313 13.092 -3.505 216 HB1 ALA 29 HB1 ALA 29 5.219 10.733 -3.426 217 HB2 ALA 29 HB2 ALA 29 3.482 10.666 -3.128 218 HB3 ALA 29 HB3 ALA 29 4.531 11.552 -2.021 219 H ILE 30 HN ILE 30 6.315 12.633 -5.377 220 HA ILE 30 HA ILE 30 7.843 14.259 -3.447 221 HB ILE 30 HB ILE 30 8.894 12.857 -5.955 222 HG12 ILE 30 HG12 ILE 30 8.879 11.851 -3.067 223 HG13 ILE 30 HG11 ILE 30 7.992 11.147 -4.416 224 HG21 ILE 30 HG21 ILE 30 10.327 14.699 -5.157 225 HG22 ILE 30 HG22 ILE 30 11.112 13.135 -4.933 226 HG23 ILE 30 HG23 ILE 30 10.386 13.959 -3.551 227 HD11 ILE 30 HD11 ILE 30 9.921 9.814 -3.892 228 HD12 ILE 30 HD12 ILE 30 10.996 11.198 -4.072 229 HD13 ILE 30 HD13 ILE 30 10.141 10.549 -5.477 230 H ASP 31 HN ASP 31 6.943 14.133 -6.895 231 HA ASP 31 HA ASP 31 8.312 16.542 -7.632 232 HB2 ASP 31 HB2 ASP 31 7.979 14.646 -9.211 233 HB3 ASP 31 HB1 ASP 31 6.240 14.898 -9.158 234 H ASP 32 HN ASP 32 4.866 15.714 -7.154 235 HA ASP 32 HA ASP 32 3.979 18.438 -7.743 236 HB2 ASP 32 HB2 ASP 32 2.682 16.516 -8.660 237 HB3 ASP 32 HB1 ASP 32 2.366 15.935 -7.025 238 H LEU 33 HN LEU 33 3.517 16.104 -5.021 239 HA LEU 33 HA LEU 33 2.370 18.084 -3.299 240 HB2 LEU 33 HB2 LEU 33 3.351 15.275 -2.685 241 HB3 LEU 33 HB1 LEU 33 2.418 16.272 -1.578 242 HG LEU 33 HG LEU 33 1.428 15.187 -4.255 243 HD11 LEU 33 HD11 LEU 33 1.656 13.422 -2.587 244 HD12 LEU 33 HD12 LEU 33 -0.046 13.755 -2.893 245 HD13 LEU 33 HD13 LEU 33 0.719 14.357 -1.418 246 HD21 LEU 33 HD21 LEU 33 -0.079 16.808 -2.164 247 HD22 LEU 33 HD22 LEU 33 -0.786 16.053 -3.595 248 HD23 LEU 33 HD23 LEU 33 0.384 17.354 -3.779 249 H GLY 34 HN GLY 34 5.643 17.101 -3.921 250 HA2 GLY 34 HA2 GLY 34 7.660 17.835 -3.083 251 HA3 GLY 34 HA1 GLY 34 6.780 19.047 -2.162 252 H ILE 35 HN ILE 35 6.836 15.497 -2.125 253 HA ILE 35 HA ILE 35 7.432 15.473 0.781 254 HB ILE 35 HB ILE 35 5.585 13.588 -0.780 255 HG12 ILE 35 HG12 ILE 35 4.866 15.573 1.431 256 HG13 ILE 35 HG11 ILE 35 4.547 15.817 -0.281 257 HG21 ILE 35 HG21 ILE 35 6.291 13.511 2.175 258 HG22 ILE 35 HG22 ILE 35 6.829 12.365 0.948 259 HG23 ILE 35 HG23 ILE 35 5.121 12.467 1.364 260 HD11 ILE 35 HD11 ILE 35 2.550 15.143 0.883 261 HD12 ILE 35 HD12 ILE 35 3.332 13.677 1.467 262 HD13 ILE 35 HD13 ILE 35 3.026 13.886 -0.259 263 H ASP 36 HN ASP 36 9.413 14.635 1.033 264 HA ASP 36 HA ASP 36 10.619 12.824 -0.943 265 HB2 ASP 36 HB2 ASP 36 11.990 14.724 -0.226 266 HB3 ASP 36 HB1 ASP 36 11.720 14.350 1.473 267 H SER 37 HN SER 37 11.876 10.955 0.012 268 HA SER 37 HA SER 37 10.511 8.978 1.270 269 HB2 SER 37 HB2 SER 37 12.503 8.233 0.367 270 HB3 SER 37 HB1 SER 37 13.399 9.647 0.908 271 H LEU 38 HN LEU 38 12.620 11.350 2.950 272 HA LEU 38 HA LEU 38 12.368 10.300 5.559 273 HB2 LEU 38 HB2 LEU 38 12.940 13.162 4.718 274 HB3 LEU 38 HB1 LEU 38 13.132 12.548 6.354 275 HG LEU 38 HG LEU 38 14.722 11.705 3.912 276 HD11 LEU 38 HD11 LEU 38 15.356 13.900 4.771 277 HD12 LEU 38 HD12 LEU 38 16.638 12.723 5.043 278 HD13 LEU 38 HD13 LEU 38 15.600 13.223 6.384 279 HD21 LEU 38 HD21 LEU 38 16.044 10.276 5.426 280 HD22 LEU 38 HD22 LEU 38 14.366 9.750 5.344 281 HD23 LEU 38 HD23 LEU 38 14.940 10.648 6.754 282 H ASP 39 HN ASP 39 10.387 12.651 3.818 283 HA ASP 39 HA ASP 39 8.638 13.335 6.012 284 HB2 ASP 39 HB2 ASP 39 8.133 13.583 3.002 285 HB3 ASP 39 HB1 ASP 39 7.218 14.391 4.275 286 H PHE 40 HN PHE 40 8.659 10.965 3.408 287 HA PHE 40 HA PHE 40 5.889 10.260 3.677 288 HB2 PHE 40 HB2 PHE 40 7.372 10.191 1.485 289 HB3 PHE 40 HB1 PHE 40 7.829 8.586 2.043 290 HD1 PHE 40 HD2 PHE 40 6.042 6.795 2.277 291 HD2 PHE 40 HD1 PHE 40 5.162 10.602 0.545 292 HE1 PHE 40 HE2 PHE 40 3.948 5.898 1.352 293 HE2 PHE 40 HE1 PHE 40 3.071 9.696 -0.370 294 HZ PHE 40 HZ PHE 40 2.457 7.345 0.036 295 H LEU 41 HN LEU 41 8.817 9.217 5.195 296 HA LEU 41 HA LEU 41 8.284 6.590 5.927 297 HB2 LEU 41 HB2 LEU 41 9.574 8.815 7.539 298 HB3 LEU 41 HB1 LEU 41 9.566 7.142 8.070 299 HG LEU 41 HG LEU 41 10.885 8.165 5.524 300 HD11 LEU 41 HD11 LEU 41 13.017 7.714 6.636 301 HD12 LEU 41 HD12 LEU 41 12.166 7.279 8.121 302 HD13 LEU 41 HD13 LEU 41 12.081 8.931 7.506 303 HD21 LEU 41 HD21 LEU 41 10.887 5.373 6.723 304 HD22 LEU 41 HD22 LEU 41 11.844 5.903 5.335 305 HD23 LEU 41 HD23 LEU 41 10.086 5.876 5.230 306 H ASP 42 HN ASP 42 7.249 9.552 7.676 307 HA ASP 42 HA ASP 42 5.669 8.201 9.630 308 HB2 ASP 42 HB2 ASP 42 6.602 10.522 9.919 309 HB3 ASP 42 HB1 ASP 42 5.420 11.111 8.758 310 H ILE 43 HN ILE 43 4.943 9.592 6.470 311 HA ILE 43 HA ILE 43 2.115 9.320 6.524 312 HB ILE 43 HB ILE 43 3.985 9.232 4.115 313 HG12 ILE 43 HG12 ILE 43 2.534 11.593 5.411 314 HG13 ILE 43 HG11 ILE 43 4.273 11.321 5.380 315 HG21 ILE 43 HG21 ILE 43 0.982 9.752 4.189 316 HG22 ILE 43 HG22 ILE 43 1.776 8.313 3.543 317 HG23 ILE 43 HG23 ILE 43 2.011 9.873 2.760 318 HD11 ILE 43 HD11 ILE 43 2.509 11.952 3.017 319 HD12 ILE 43 HD12 ILE 43 4.235 11.587 2.928 320 HD13 ILE 43 HD13 ILE 43 3.678 13.015 3.798 321 H ALA 44 HN ALA 44 4.754 7.084 5.755 322 HA ALA 44 HA ALA 44 3.145 4.996 4.647 323 HB1 ALA 44 HB1 ALA 44 5.223 3.665 4.725 324 HB2 ALA 44 HB2 ALA 44 6.011 4.943 5.655 325 HB3 ALA 44 HB3 ALA 44 5.505 5.244 3.992 326 H PHE 45 HN PHE 45 4.257 5.959 7.832 327 HA PHE 45 HA PHE 45 3.488 3.559 9.225 328 HB2 PHE 45 HB2 PHE 45 4.170 6.367 10.181 329 HB3 PHE 45 HB1 PHE 45 3.565 5.151 11.300 330 HD1 PHE 45 HD1 PHE 45 4.852 2.759 10.999 331 HD2 PHE 45 HD2 PHE 45 6.501 6.614 10.178 332 HE1 PHE 45 HE1 PHE 45 7.124 1.863 11.315 333 HE2 PHE 45 HE2 PHE 45 8.769 5.714 10.492 334 HZ PHE 45 HZ PHE 45 9.083 3.332 11.056 335 H ALA 46 HN ALA 46 1.877 6.554 8.321 336 HA ALA 46 HA ALA 46 -0.518 6.160 9.852 337 HB1 ALA 46 HB1 ALA 46 -1.449 7.948 8.418 338 HB2 ALA 46 HB2 ALA 46 -0.044 7.832 7.355 339 HB3 ALA 46 HB3 ALA 46 0.153 8.379 9.020 340 H ILE 47 HN ILE 47 0.332 5.597 6.425 341 HA ILE 47 HA ILE 47 -2.006 4.268 5.579 342 HB ILE 47 HB ILE 47 0.865 4.062 4.557 343 HG12 ILE 47 HG12 ILE 47 -1.510 5.638 3.455 344 HG13 ILE 47 HG11 ILE 47 -0.186 6.326 4.389 345 HG21 ILE 47 HG21 ILE 47 -0.029 3.106 2.462 346 HG22 ILE 47 HG22 ILE 47 -1.641 3.042 3.173 347 HG23 ILE 47 HG23 ILE 47 -0.344 2.048 3.838 348 HD11 ILE 47 HD11 ILE 47 0.036 5.073 1.647 349 HD12 ILE 47 HD12 ILE 47 1.375 5.750 2.578 350 HD13 ILE 47 HD13 ILE 47 0.065 6.792 2.026 351 H ASP 48 HN ASP 48 0.961 3.124 7.082 352 HA ASP 48 HA ASP 48 0.848 0.386 6.902 353 HB2 ASP 48 HB2 ASP 48 2.728 1.660 7.867 354 HB3 ASP 48 HB1 ASP 48 1.754 2.116 9.246 355 H LYS 49 HN LYS 49 -0.299 2.281 9.648 356 HA LYS 49 HA LYS 49 -1.456 0.088 11.028 357 HB2 LYS 49 HB2 LYS 49 -1.705 3.096 11.418 358 HB3 LYS 49 HB1 LYS 49 -2.241 1.896 12.595 359 HG2 LYS 49 HG2 LYS 49 -0.038 1.210 13.097 360 HG3 LYS 49 HG1 LYS 49 0.629 1.921 11.623 361 HD2 LYS 49 HD2 LYS 49 1.258 3.239 13.607 362 HD3 LYS 49 HD1 LYS 49 0.250 4.175 12.504 363 HE2 LYS 49 HE2 LYS 49 -1.720 3.696 13.967 364 HE3 LYS 49 HE1 LYS 49 -0.643 2.869 15.094 365 HZ1 LYS 49 HZ1 LYS 49 0.572 4.950 15.368 366 HZ2 LYS 49 HZ2 LYS 49 -1.055 5.121 15.789 367 HZ3 LYS 49 HZ3 LYS 49 -0.499 5.726 14.311 368 H ALA 50 HN ALA 50 -2.794 2.623 8.923 369 HA ALA 50 HA ALA 50 -5.517 2.262 9.307 370 HB1 ALA 50 HB1 ALA 50 -5.803 3.271 7.078 371 HB2 ALA 50 HB2 ALA 50 -4.102 2.967 6.716 372 HB3 ALA 50 HB3 ALA 50 -4.540 4.108 7.986 373 H PHE 51 HN PHE 51 -3.509 0.750 6.750 374 HA PHE 51 HA PHE 51 -5.649 -1.004 5.872 375 HB2 PHE 51 HB2 PHE 51 -2.770 -0.648 4.965 376 HB3 PHE 51 HB1 PHE 51 -3.868 -1.815 4.241 377 HD1 PHE 51 HD2 PHE 51 -3.259 1.827 4.715 378 HD2 PHE 51 HD1 PHE 51 -5.505 -1.144 2.638 379 HE1 PHE 51 HE2 PHE 51 -4.033 3.525 3.117 380 HE2 PHE 51 HE1 PHE 51 -6.286 0.558 1.057 381 HZ PHE 51 HZ PHE 51 -5.546 2.891 1.289 382 H GLY 52 HN GLY 52 -3.260 -1.237 8.279 383 HA2 GLY 52 HA2 GLY 52 -2.600 -2.965 9.637 384 HA3 GLY 52 HA1 GLY 52 -3.742 -4.017 8.815 385 H ILE 53 HN ILE 53 -1.499 -2.402 6.794 386 HA ILE 53 HA ILE 53 0.230 -4.812 6.511 387 HB ILE 53 HB ILE 53 0.471 -4.268 4.110 388 HG12 ILE 53 HG12 ILE 53 -1.650 -2.559 3.384 389 HG13 ILE 53 HG11 ILE 53 -1.032 -1.795 4.830 390 HG21 ILE 53 HG21 ILE 53 -2.434 -4.606 4.922 391 HG22 ILE 53 HG22 ILE 53 -1.231 -5.882 4.745 392 HG23 ILE 53 HG23 ILE 53 -1.759 -4.975 3.330 393 HD11 ILE 53 HD11 ILE 53 -0.048 -0.843 2.840 394 HD12 ILE 53 HD12 ILE 53 0.536 -2.433 2.350 395 HD13 ILE 53 HD13 ILE 53 1.189 -1.666 3.797 396 H LYS 54 HN LYS 54 2.478 -4.259 5.736 397 HA LYS 54 HA LYS 54 3.293 -1.501 6.486 398 HB2 LYS 54 HB2 LYS 54 4.452 -3.284 7.790 399 HB3 LYS 54 HB1 LYS 54 5.077 -3.985 6.298 400 HG2 LYS 54 HG2 LYS 54 6.316 -1.895 5.837 401 HG3 LYS 54 HG1 LYS 54 5.660 -1.178 7.308 402 HD2 LYS 54 HD2 LYS 54 6.892 -2.814 8.666 403 HD3 LYS 54 HD1 LYS 54 7.516 -3.585 7.204 404 HE2 LYS 54 HE2 LYS 54 8.701 -1.487 6.612 405 HE3 LYS 54 HE1 LYS 54 8.063 -0.718 8.065 406 HZ1 LYS 54 HZ1 LYS 54 10.330 -1.482 8.370 407 HZ2 LYS 54 HZ2 LYS 54 9.870 -3.074 8.020 408 HZ3 LYS 54 HZ3 LYS 54 9.276 -2.306 9.406 409 H LEU 55 HN LEU 55 4.109 -0.168 4.916 410 HA LEU 55 HA LEU 55 4.545 -1.117 2.222 411 HB2 LEU 55 HB2 LEU 55 5.222 1.578 3.493 412 HB3 LEU 55 HB1 LEU 55 5.253 1.219 1.769 413 HG LEU 55 HG LEU 55 2.789 1.360 3.559 414 HD11 LEU 55 HD11 LEU 55 3.642 3.134 1.240 415 HD12 LEU 55 HD12 LEU 55 3.663 3.566 2.951 416 HD13 LEU 55 HD13 LEU 55 2.128 3.265 2.144 417 HD21 LEU 55 HD21 LEU 55 2.524 -0.451 1.906 418 HD22 LEU 55 HD22 LEU 55 2.887 0.677 0.599 419 HD23 LEU 55 HD23 LEU 55 1.438 0.894 1.584 420 HA PRO 56 HA PRO 56 9.058 -1.741 3.055 421 HB2 PRO 56 HB2 PRO 56 9.181 -2.475 0.173 422 HB3 PRO 56 HB1 PRO 56 9.619 -3.440 1.589 423 HG2 PRO 56 HG2 PRO 56 7.430 -4.008 0.096 424 HG3 PRO 56 HG1 PRO 56 7.468 -4.282 1.852 425 HD2 PRO 56 HD2 PRO 56 6.256 -1.971 0.322 426 HD3 PRO 56 HD1 PRO 56 5.570 -2.911 1.668 427 H LEU 57 HN LEU 57 8.394 0.780 3.063 428 HA LEU 57 HA LEU 57 8.576 2.311 0.680 429 HB2 LEU 57 HB2 LEU 57 7.381 2.859 2.914 430 HB3 LEU 57 HB1 LEU 57 8.943 3.337 3.530 431 HG LEU 57 HG LEU 57 7.392 5.215 2.800 432 HD11 LEU 57 HD11 LEU 57 10.080 5.211 1.424 433 HD12 LEU 57 HD12 LEU 57 9.761 5.658 3.100 434 HD13 LEU 57 HD13 LEU 57 9.088 6.630 1.794 435 HD21 LEU 57 HD21 LEU 57 6.459 4.171 0.817 436 HD22 LEU 57 HD22 LEU 57 8.028 4.248 0.006 437 HD23 LEU 57 HD23 LEU 57 7.170 5.733 0.433 438 H GLU 58 HN GLU 58 10.835 1.474 3.241 439 HA GLU 58 HA GLU 58 13.061 3.052 2.505 440 HB2 GLU 58 HB2 GLU 58 13.026 0.340 3.900 441 HB3 GLU 58 HB1 GLU 58 14.346 1.510 3.944 442 HG2 GLU 58 HG2 GLU 58 13.045 3.045 5.250 443 HG3 GLU 58 HG1 GLU 58 11.573 2.104 5.007 444 H LYS 59 HN LYS 59 12.071 -0.256 1.673 445 HA LYS 59 HA LYS 59 14.340 -0.963 0.142 446 HB2 LYS 59 HB2 LYS 59 12.772 -2.592 1.202 447 HB3 LYS 59 HB1 LYS 59 11.528 -2.123 0.046 448 HG2 LYS 59 HG2 LYS 59 12.850 -3.013 -1.804 449 HG3 LYS 59 HG1 LYS 59 14.193 -3.372 -0.710 450 HD2 LYS 59 HD2 LYS 59 12.740 -4.988 0.508 451 HD3 LYS 59 HD1 LYS 59 11.429 -4.646 -0.627 452 HE2 LYS 59 HE2 LYS 59 12.843 -5.480 -2.482 453 HE3 LYS 59 HE1 LYS 59 14.126 -5.850 -1.330 454 HZ1 LYS 59 HZ1 LYS 59 11.414 -7.032 -1.225 455 HZ2 LYS 59 HZ2 LYS 59 12.764 -7.475 -0.306 456 HZ3 LYS 59 HZ3 LYS 59 12.743 -7.768 -1.972 457 H TRP 60 HN TRP 60 11.142 0.241 -0.745 458 HA TRP 60 HA TRP 60 11.276 0.101 -3.539 459 HB2 TRP 60 HB2 TRP 60 9.695 1.935 -1.686 460 HB3 TRP 60 HB1 TRP 60 9.477 1.952 -3.431 461 HD1 TRP 60 HD1 TRP 60 9.855 -1.577 -2.874 462 HE1 TRP 60 HE1 TRP 60 7.588 -2.734 -2.527 463 HE3 TRP 60 HE3 TRP 60 6.970 2.535 -1.890 464 HZ2 TRP 60 HZ2 TRP 60 4.939 -2.018 -1.947 465 HZ3 TRP 60 HZ3 TRP 60 4.566 2.210 -1.457 466 HH2 TRP 60 HH2 TRP 60 3.573 -0.029 -1.486 467 H THR 61 HN THR 61 11.926 2.809 -1.318 468 HA THR 61 HA THR 61 12.717 4.617 -3.401 469 HB THR 61 HB THR 61 13.195 5.016 -0.413 470 HG1 THR 61 HG1 THR 61 11.093 5.053 -0.246 471 HG21 THR 61 HG21 THR 61 12.957 7.422 -0.982 472 HG22 THR 61 HG22 THR 61 12.747 7.009 -2.682 473 HG23 THR 61 HG23 THR 61 14.291 6.696 -1.885 474 H GLN 62 HN GLN 62 14.394 2.158 -1.573 475 HA GLN 62 HA GLN 62 17.056 3.241 -1.872 476 HB2 GLN 62 HB2 GLN 62 16.594 1.611 -0.078 477 HB3 GLN 62 HB1 GLN 62 16.056 0.420 -1.255 478 HG2 GLN 62 HG2 GLN 62 18.282 0.120 -2.103 479 HG3 GLN 62 HG1 GLN 62 18.881 1.510 -1.205 480 HE21 GLN 62 HE21 GLN 62 17.919 -1.830 -0.978 481 HE22 GLN 62 HE22 GLN 62 18.556 -2.120 0.599 482 H GLU 63 HN GLU 63 14.959 0.917 -3.533 483 HA GLU 63 HA GLU 63 16.691 0.189 -5.660 484 HB2 GLU 63 HB2 GLU 63 13.645 0.114 -5.455 485 HB3 GLU 63 HB1 GLU 63 14.559 -0.592 -6.788 486 HG2 GLU 63 HG2 GLU 63 15.697 -2.103 -5.217 487 HG3 GLU 63 HG1 GLU 63 14.800 -1.392 -3.877 488 H VAL 64 HN VAL 64 14.400 2.829 -5.227 489 HA VAL 64 HA VAL 64 14.554 3.945 -7.824 490 HB VAL 64 HB VAL 64 13.952 5.250 -5.133 491 HG11 VAL 64 HG11 VAL 64 13.640 6.494 -7.897 492 HG12 VAL 64 HG12 VAL 64 14.772 7.001 -6.640 493 HG13 VAL 64 HG13 VAL 64 13.039 7.184 -6.386 494 HG21 VAL 64 HG21 VAL 64 11.591 5.184 -5.897 495 HG22 VAL 64 HG22 VAL 64 12.298 3.568 -5.858 496 HG23 VAL 64 HG23 VAL 64 12.095 4.402 -7.398 497 H ASN 65 HN ASN 65 16.396 4.634 -4.843 498 HA ASN 65 HA ASN 65 18.236 6.465 -5.948 499 HB2 ASN 65 HB2 ASN 65 18.490 4.704 -3.468 500 HB3 ASN 65 HB1 ASN 65 19.578 6.031 -3.858 501 HD21 ASN 65 HD21 ASN 65 17.884 5.695 -1.506 502 HD22 ASN 65 HD22 ASN 65 16.818 7.055 -1.462 503 H ASP 66 HN ASP 66 18.199 2.934 -5.961 504 HA ASP 66 HA ASP 66 20.962 2.699 -6.875 505 HB2 ASP 66 HB2 ASP 66 18.793 0.624 -6.378 506 HB3 ASP 66 HB1 ASP 66 20.409 0.223 -6.941 507 H GLY 67 HN GLY 67 18.280 3.707 -8.401 508 HA2 GLY 67 HA2 GLY 67 17.680 3.917 -10.590 509 HA3 GLY 67 HA1 GLY 67 19.185 3.139 -11.037 510 H LYS 68 HN LYS 68 17.519 1.077 -9.010 511 HA LYS 68 HA LYS 68 16.906 -0.881 -10.949 512 HB2 LYS 68 HB2 LYS 68 15.767 -0.612 -8.137 513 HB3 LYS 68 HB1 LYS 68 15.786 -2.082 -9.108 514 HG2 LYS 68 HG2 LYS 68 18.239 -0.639 -8.042 515 HG3 LYS 68 HG1 LYS 68 17.488 -2.060 -7.308 516 HD2 LYS 68 HD2 LYS 68 17.987 -3.354 -9.395 517 HD3 LYS 68 HD1 LYS 68 18.809 -1.935 -10.054 518 HE2 LYS 68 HE2 LYS 68 20.405 -3.558 -9.087 519 HE3 LYS 68 HE1 LYS 68 20.451 -2.014 -8.226 520 HZ1 LYS 68 HZ1 LYS 68 19.099 -2.972 -6.486 521 HZ2 LYS 68 HZ2 LYS 68 20.460 -3.944 -6.733 522 HZ3 LYS 68 HZ3 LYS 68 18.956 -4.428 -7.332 523 H ALA 69 HN ALA 69 15.022 1.652 -9.430 524 HA ALA 69 HA ALA 69 12.745 1.234 -11.248 525 HB1 ALA 69 HB1 ALA 69 12.151 0.020 -9.183 526 HB2 ALA 69 HB2 ALA 69 11.127 1.439 -9.402 527 HB3 ALA 69 HB3 ALA 69 12.448 1.472 -8.228 528 H THR 70 HN THR 70 11.320 3.111 -11.253 529 HA THR 70 HA THR 70 12.691 5.662 -10.827 530 HB THR 70 HB THR 70 10.029 5.163 -12.260 531 HG1 THR 70 HG1 THR 70 12.671 5.123 -13.368 532 HG21 THR 70 HG21 THR 70 10.534 7.540 -11.759 533 HG22 THR 70 HG22 THR 70 10.605 7.227 -13.494 534 HG23 THR 70 HG23 THR 70 12.097 7.384 -12.564 535 H THR 71 HN THR 71 11.613 7.373 -9.685 536 HA THR 71 HA THR 71 10.252 6.902 -7.329 537 HB THR 71 HB THR 71 9.547 9.322 -7.424 538 HG1 THR 71 HG1 THR 71 10.398 10.476 -9.356 539 HG21 THR 71 HG21 THR 71 11.790 10.334 -7.532 540 HG22 THR 71 HG22 THR 71 12.420 8.879 -8.314 541 HG23 THR 71 HG23 THR 71 11.832 8.813 -6.649 542 H GLU 72 HN GLU 72 8.830 7.958 -10.425 543 HA GLU 72 HA GLU 72 6.191 8.123 -10.087 544 HB2 GLU 72 HB2 GLU 72 7.470 6.565 -12.368 545 HB3 GLU 72 HB1 GLU 72 5.892 7.349 -12.411 546 HG2 GLU 72 HG2 GLU 72 7.006 9.554 -12.164 547 HG3 GLU 72 HG1 GLU 72 8.573 8.742 -12.149 548 H GLN 73 HN GLN 73 7.833 5.045 -10.494 549 HA GLN 73 HA GLN 73 5.687 3.306 -10.785 550 HB2 GLN 73 HB2 GLN 73 8.403 2.747 -9.537 551 HB3 GLN 73 HB1 GLN 73 7.276 1.507 -10.081 552 HG2 GLN 73 HG2 GLN 73 7.481 2.371 -12.406 553 HG3 GLN 73 HG1 GLN 73 8.629 3.584 -11.839 554 HE21 GLN 73 HE21 GLN 73 10.285 2.805 -13.188 555 HE22 GLN 73 HE22 GLN 73 11.098 1.308 -12.896 556 H TYR 74 HN TYR 74 7.002 4.658 -7.818 557 HA TYR 74 HA TYR 74 5.080 3.089 -6.189 558 HB2 TYR 74 HB2 TYR 74 7.739 4.293 -5.303 559 HB3 TYR 74 HB1 TYR 74 6.654 3.321 -4.310 560 HD1 TYR 74 HD2 TYR 74 6.037 0.930 -5.455 561 HD2 TYR 74 HD1 TYR 74 9.603 3.173 -6.190 562 HE1 TYR 74 HE2 TYR 74 7.188 -1.122 -6.161 563 HE2 TYR 74 HE1 TYR 74 10.745 1.120 -6.895 564 HH TYR 74 HH TYR 74 9.085 -1.799 -7.518 565 H PHE 75 HN PHE 75 5.803 6.326 -7.231 566 HA PHE 75 HA PHE 75 4.602 7.476 -4.776 567 HB2 PHE 75 HB2 PHE 75 6.844 8.530 -6.539 568 HB3 PHE 75 HB1 PHE 75 5.976 9.571 -5.423 569 HD1 PHE 75 HD2 PHE 75 6.246 9.311 -2.974 570 HD2 PHE 75 HD1 PHE 75 8.471 6.878 -5.698 571 HE1 PHE 75 HE2 PHE 75 7.796 8.707 -1.172 572 HE2 PHE 75 HE1 PHE 75 10.015 6.268 -3.878 573 HZ PHE 75 HZ PHE 75 9.672 7.174 -1.609 574 H VAL 76 HN VAL 76 3.700 6.918 -7.931 575 HA VAL 76 HA VAL 76 2.234 9.493 -8.214 576 HB VAL 76 HB VAL 76 2.189 7.029 -10.040 577 HG11 VAL 76 HG11 VAL 76 0.794 9.709 -10.415 578 HG12 VAL 76 HG12 VAL 76 0.013 8.161 -10.091 579 HG13 VAL 76 HG13 VAL 76 0.863 8.414 -11.616 580 HG21 VAL 76 HG21 VAL 76 4.307 8.281 -10.198 581 HG22 VAL 76 HG22 VAL 76 3.421 9.773 -10.510 582 HG23 VAL 76 HG23 VAL 76 3.367 8.453 -11.680 583 H LEU 77 HN LEU 77 0.236 9.632 -7.280 584 HA LEU 77 HA LEU 77 -0.221 7.875 -5.182 585 HB2 LEU 77 HB2 LEU 77 -2.095 9.977 -6.295 586 HB3 LEU 77 HB1 LEU 77 -2.248 9.233 -4.706 587 HG LEU 77 HG LEU 77 0.071 10.972 -5.641 588 HD11 LEU 77 HD11 LEU 77 -0.722 12.620 -4.044 589 HD12 LEU 77 HD12 LEU 77 -2.098 11.591 -3.635 590 HD13 LEU 77 HD13 LEU 77 -1.943 12.269 -5.259 591 HD21 LEU 77 HD21 LEU 77 -0.352 9.698 -2.915 592 HD22 LEU 77 HD22 LEU 77 0.909 10.863 -3.330 593 HD23 LEU 77 HD23 LEU 77 0.901 9.277 -4.091 594 H LYS 78 HN LYS 78 -1.735 7.672 -8.371 595 HA LYS 78 HA LYS 78 -3.759 5.757 -7.543 596 HB2 LYS 78 HB2 LYS 78 -4.176 5.398 -9.962 597 HB3 LYS 78 HB1 LYS 78 -4.175 7.105 -9.544 598 HG2 LYS 78 HG2 LYS 78 -1.864 7.312 -10.431 599 HG3 LYS 78 HG1 LYS 78 -1.909 5.609 -10.899 600 HD2 LYS 78 HD2 LYS 78 -3.761 6.065 -12.450 601 HD3 LYS 78 HD1 LYS 78 -3.796 7.760 -11.948 602 HE2 LYS 78 HE2 LYS 78 -1.488 8.040 -12.826 603 HE3 LYS 78 HE1 LYS 78 -1.500 6.359 -13.374 604 HZ1 LYS 78 HZ1 LYS 78 -3.335 6.882 -14.831 605 HZ2 LYS 78 HZ2 LYS 78 -2.045 7.926 -15.150 606 HZ3 LYS 78 HZ3 LYS 78 -3.380 8.477 -14.274 607 H ASN 79 HN ASN 79 -0.540 5.581 -9.002 608 HA ASN 79 HA ASN 79 -0.349 2.756 -9.340 609 HB2 ASN 79 HB2 ASN 79 1.824 4.886 -9.048 610 HB3 ASN 79 HB1 ASN 79 2.166 3.198 -9.423 611 HD21 ASN 79 HD21 ASN 79 1.813 2.445 -11.499 612 HD22 ASN 79 HD22 ASN 79 1.382 3.485 -12.811 613 H LEU 80 HN LEU 80 0.825 4.973 -6.845 614 HA LEU 80 HA LEU 80 1.878 3.297 -4.945 615 HB2 LEU 80 HB2 LEU 80 2.097 5.716 -4.761 616 HB3 LEU 80 HB1 LEU 80 0.356 5.910 -4.653 617 HG LEU 80 HG LEU 80 0.393 4.784 -2.413 618 HD11 LEU 80 HD11 LEU 80 2.419 3.430 -2.624 619 HD12 LEU 80 HD12 LEU 80 2.496 4.463 -1.202 620 HD13 LEU 80 HD13 LEU 80 3.417 4.889 -2.645 621 HD21 LEU 80 HD21 LEU 80 1.275 6.690 -1.174 622 HD22 LEU 80 HD22 LEU 80 0.394 7.235 -2.597 623 HD23 LEU 80 HD23 LEU 80 2.160 7.244 -2.599 624 H ALA 81 HN ALA 81 -1.514 4.416 -5.276 625 HA ALA 81 HA ALA 81 -2.614 3.040 -3.078 626 HB1 ALA 81 HB1 ALA 81 -4.798 3.416 -4.138 627 HB2 ALA 81 HB2 ALA 81 -4.006 3.844 -5.658 628 HB3 ALA 81 HB3 ALA 81 -3.796 4.867 -4.235 629 H ALA 82 HN ALA 82 -2.082 2.046 -6.452 630 HA ALA 82 HA ALA 82 -3.455 -0.446 -6.295 631 HB1 ALA 82 HB1 ALA 82 -2.366 -0.937 -8.440 632 HB2 ALA 82 HB2 ALA 82 -1.279 0.437 -8.220 633 HB3 ALA 82 HB3 ALA 82 -3.009 0.708 -8.433 634 H ARG 83 HN ARG 83 -0.082 0.548 -5.704 635 HA ARG 83 HA ARG 83 1.026 -2.070 -5.424 636 HB2 ARG 83 HB2 ARG 83 2.056 0.595 -4.358 637 HB3 ARG 83 HB1 ARG 83 2.979 -0.901 -4.371 638 HG2 ARG 83 HG2 ARG 83 1.959 0.473 -6.876 639 HG3 ARG 83 HG1 ARG 83 3.559 0.732 -6.194 640 HD2 ARG 83 HD2 ARG 83 3.834 -0.823 -7.971 641 HD3 ARG 83 HD1 ARG 83 3.967 -1.762 -6.487 642 HE ARG 83 HE ARG 83 1.299 -1.805 -7.527 643 HH11 ARG 83 HH11 ARG 83 4.458 -3.299 -7.898 644 HH12 ARG 83 HH12 ARG 83 3.837 -4.676 -8.741 645 HH21 ARG 83 HH21 ARG 83 0.528 -3.676 -8.614 646 HH22 ARG 83 HH22 ARG 83 1.648 -4.901 -9.108 647 H ILE 84 HN ILE 84 -0.312 0.275 -3.133 648 HA ILE 84 HA ILE 84 0.148 -1.141 -0.717 649 HB ILE 84 HB ILE 84 -2.026 0.908 -1.394 650 HG12 ILE 84 HG12 ILE 84 0.670 1.330 -0.024 651 HG13 ILE 84 HG11 ILE 84 0.346 1.708 -1.701 652 HG21 ILE 84 HG21 ILE 84 -1.086 -0.004 1.361 653 HG22 ILE 84 HG22 ILE 84 -2.651 -0.354 0.626 654 HG23 ILE 84 HG23 ILE 84 -2.230 1.304 1.046 655 HD11 ILE 84 HD11 ILE 84 -0.979 3.011 0.669 656 HD12 ILE 84 HD12 ILE 84 -1.226 3.419 -1.029 657 HD13 ILE 84 HD13 ILE 84 0.348 3.680 -0.280 658 H ASP 85 HN ASP 85 -2.522 -1.056 -3.033 659 HA ASP 85 HA ASP 85 -4.342 -2.795 -1.761 660 HB2 ASP 85 HB2 ASP 85 -4.929 -1.285 -3.645 661 HB3 ASP 85 HB1 ASP 85 -3.921 -2.225 -4.732 662 H GLU 86 HN GLU 86 -1.577 -3.392 -3.890 663 HA GLU 86 HA GLU 86 -1.847 -6.197 -4.232 664 HB2 GLU 86 HB2 GLU 86 0.604 -4.396 -4.321 665 HB3 GLU 86 HB1 GLU 86 0.654 -6.101 -4.731 666 HG2 GLU 86 HG2 GLU 86 -1.004 -4.017 -6.170 667 HG3 GLU 86 HG1 GLU 86 0.565 -4.609 -6.699 668 H LEU 87 HN LEU 87 -0.268 -4.213 -1.729 669 HA LEU 87 HA LEU 87 0.945 -6.416 -0.343 670 HB2 LEU 87 HB2 LEU 87 0.386 -3.594 0.631 671 HB3 LEU 87 HB1 LEU 87 1.435 -4.761 1.429 672 HG LEU 87 HG LEU 87 1.911 -3.508 -1.302 673 HD11 LEU 87 HD11 LEU 87 2.244 -1.939 0.528 674 HD12 LEU 87 HD12 LEU 87 3.772 -2.346 -0.242 675 HD13 LEU 87 HD13 LEU 87 3.357 -3.059 1.320 676 HD21 LEU 87 HD21 LEU 87 2.795 -5.799 -1.259 677 HD22 LEU 87 HD22 LEU 87 3.700 -5.442 0.214 678 HD23 LEU 87 HD23 LEU 87 4.101 -4.621 -1.298 679 H VAL 88 HN VAL 88 -2.156 -4.777 -0.126 680 HA VAL 88 HA VAL 88 -3.074 -6.000 2.294 681 HB VAL 88 HB VAL 88 -4.674 -4.827 -0.040 682 HG11 VAL 88 HG11 VAL 88 -5.664 -5.617 2.735 683 HG12 VAL 88 HG12 VAL 88 -6.073 -6.422 1.217 684 HG13 VAL 88 HG13 VAL 88 -6.612 -4.768 1.511 685 HG21 VAL 88 HG21 VAL 88 -3.944 -3.607 2.663 686 HG22 VAL 88 HG22 VAL 88 -4.960 -2.845 1.435 687 HG23 VAL 88 HG23 VAL 88 -3.258 -3.153 1.101 688 H ALA 89 HN ALA 89 -3.231 -6.862 -1.159 689 HA ALA 89 HA ALA 89 -4.702 -9.296 -0.880 690 HB1 ALA 89 HB1 ALA 89 -2.782 -8.437 -3.073 691 HB2 ALA 89 HB2 ALA 89 -4.514 -8.104 -3.038 692 HB3 ALA 89 HB3 ALA 89 -3.938 -9.768 -3.175 693 H ALA 90 HN ALA 90 -1.279 -8.440 -0.768 694 HA ALA 90 HA ALA 90 -0.199 -11.067 -0.576 695 HB1 ALA 90 HB1 ALA 90 1.036 -8.424 0.292 696 HB2 ALA 90 HB2 ALA 90 1.146 -9.136 -1.317 697 HB3 ALA 90 HB3 ALA 90 1.900 -9.949 0.052 698 H LYS 91 HN LYS 91 -1.574 -8.876 1.813 699 HA LYS 91 HA LYS 91 -0.788 -10.523 4.074 700 HB2 LYS 91 HB2 LYS 91 -1.154 -8.046 4.296 701 HB3 LYS 91 HB1 LYS 91 -2.862 -8.284 3.936 702 HG2 LYS 91 HG2 LYS 91 -3.101 -9.657 5.986 703 HG3 LYS 91 HG1 LYS 91 -1.386 -9.444 6.328 704 HD2 LYS 91 HD2 LYS 91 -2.617 -7.923 7.729 705 HD3 LYS 91 HD1 LYS 91 -1.774 -6.969 6.508 706 HE2 LYS 91 HE2 LYS 91 -4.028 -6.111 6.842 707 HE3 LYS 91 HE1 LYS 91 -3.903 -6.793 5.222 708 HZ1 LYS 91 HZ1 LYS 91 -5.963 -7.400 6.346 709 HZ2 LYS 91 HZ2 LYS 91 -5.090 -8.184 7.568 710 HZ3 LYS 91 HZ3 LYS 91 -5.037 -8.766 5.978 711 H GLY 92 HN GLY 92 -3.412 -10.414 1.771 712 HA2 GLY 92 HA2 GLY 92 -5.298 -11.951 3.442 713 HA3 GLY 92 HA1 GLY 92 -5.621 -11.214 1.879 714 H ALA 93 HN ALA 93 -2.812 -12.526 1.260 715 HA ALA 93 HA ALA 93 -3.339 -15.357 1.093 716 HB1 ALA 93 HB1 ALA 93 -3.279 -15.480 -1.382 717 HB2 ALA 93 HB2 ALA 93 -3.271 -13.716 -1.478 718 HB3 ALA 93 HB3 ALA 93 -4.678 -14.559 -0.829 719 H LEU 94 HN LEU 94 -1.445 -16.404 -0.169 720 HA LEU 94 HA LEU 94 1.051 -14.838 0.137 721 HB2 LEU 94 HB2 LEU 94 0.466 -17.625 1.152 722 HB3 LEU 94 HB1 LEU 94 2.113 -17.171 0.745 723 HG LEU 94 HG LEU 94 0.386 -15.804 2.857 724 HD11 LEU 94 HD11 LEU 94 1.920 -16.814 4.501 725 HD12 LEU 94 HD12 LEU 94 2.742 -17.690 3.207 726 HD13 LEU 94 HD13 LEU 94 1.053 -18.043 3.581 727 HD21 LEU 94 HD21 LEU 94 2.454 -14.591 3.477 728 HD22 LEU 94 HD22 LEU 94 1.951 -14.214 1.833 729 HD23 LEU 94 HD23 LEU 94 3.299 -15.323 2.108 730 H GLU 95 HN GLU 95 2.826 -15.591 -1.155 731 HA GLU 95 HA GLU 95 2.434 -16.438 -3.785 732 HB2 GLU 95 HB2 GLU 95 4.891 -17.047 -3.711 733 HB3 GLU 95 HB1 GLU 95 4.552 -15.433 -3.097 734 HG2 GLU 95 HG2 GLU 95 4.765 -16.218 -0.793 735 HG3 GLU 95 HG1 GLU 95 4.976 -17.879 -1.345 736 H HIS 96 HN HIS 96 2.299 -18.504 -4.739 737 HA HIS 96 HA HIS 96 1.401 -20.651 -3.050 738 HB2 HIS 96 HB2 HIS 96 0.449 -20.223 -5.330 739 HB3 HIS 96 HB1 HIS 96 1.993 -20.681 -6.041 740 HD1 HIS 96 HD1 HIS 96 2.293 -23.126 -6.559 741 HD2 HIS 96 HD2 HIS 96 -0.844 -22.436 -3.922 742 HE1 HIS 96 HE1 HIS 96 1.180 -25.348 -6.240 743 HE2 HIS 96 HE2 HIS 96 -0.793 -24.879 -4.751 744 H HIS 97 HN HIS 97 2.989 -21.500 -1.764 745 HA HIS 97 HA HIS 97 5.232 -22.929 -2.932 746 HB2 HIS 97 HB2 HIS 97 7.017 -21.712 -1.911 747 HB3 HIS 97 HB1 HIS 97 5.998 -20.466 -2.612 748 HD1 HIS 97 HD1 HIS 97 3.984 -19.884 -0.506 749 HD2 HIS 97 HD2 HIS 97 7.924 -20.730 0.454 750 HE1 HIS 97 HE1 HIS 97 4.323 -18.916 1.773 751 HE2 HIS 97 HE2 HIS 97 6.775 -19.240 2.226 752 H HIS 98 HN HIS 98 6.475 -24.071 -1.243 753 HA HIS 98 HA HIS 98 5.243 -24.233 1.436 754 HB2 HIS 98 HB2 HIS 98 6.317 -26.491 -0.307 755 HB3 HIS 98 HB1 HIS 98 6.321 -26.635 1.448 756 HD1 HIS 98 HD1 HIS 98 4.054 -26.787 -1.498 757 HD2 HIS 98 HD2 HIS 98 3.756 -26.783 2.644 758 HE1 HIS 98 HE1 HIS 98 1.710 -27.536 -0.993 759 HE2 HIS 98 HE2 HIS 98 1.575 -27.571 1.518 760 H HIS 99 HN HIS 99 8.183 -24.817 -0.486 761 HA HIS 99 HA HIS 99 10.391 -24.781 -0.066 762 HB2 HIS 99 HB2 HIS 99 9.867 -22.295 -0.030 763 HB3 HIS 99 HB1 HIS 99 9.777 -22.385 1.725 764 HD1 HIS 99 HD1 HIS 99 11.801 -20.973 2.289 765 HD2 HIS 99 HD2 HIS 99 12.693 -23.991 -0.418 766 HE1 HIS 99 HE1 HIS 99 14.300 -20.946 2.060 767 HE2 HIS 99 HE2 HIS 99 14.823 -22.875 0.526 768 H HIS 100 HN HIS 100 10.129 -26.821 0.984 769 HA HIS 100 HA HIS 100 9.491 -27.320 3.635 770 HB2 HIS 100 HB2 HIS 100 9.508 -29.169 2.076 771 HB3 HIS 100 HB1 HIS 100 11.202 -28.912 1.672 772 HD1 HIS 100 HD1 HIS 100 9.005 -30.284 4.433 773 HD2 HIS 100 HD2 HIS 100 13.009 -30.245 3.330 774 HE1 HIS 100 HE1 HIS 100 10.139 -31.937 5.953 775 HE2 HIS 100 HE2 HIS 100 12.507 -32.025 5.120 776 H HIS 101 HN HIS 101 10.439 -26.317 5.309 777 HA HIS 101 HA HIS 101 13.362 -26.226 5.621 778 HB2 HIS 101 HB2 HIS 101 11.073 -25.104 7.310 779 HB3 HIS 101 HB1 HIS 101 12.761 -24.996 7.784 780 HD1 HIS 101 HD1 HIS 101 14.289 -23.419 6.378 781 HD2 HIS 101 HD2 HIS 101 10.261 -23.206 5.400 782 HE1 HIS 101 HE1 HIS 101 14.037 -21.307 5.047 783 HE2 HIS 101 HE2 HIS 101 11.554 -21.082 4.702 784 H282 PNS 102 H282 PNS 102 14.752 10.494 1.900 785 H281 PNS 102 H281 PNS 102 16.268 10.814 2.721 786 H303 PNS 102 H303 PNS 102 14.682 10.234 -0.579 787 H302 PNS 102 H302 PNS 102 16.130 9.790 -1.484 788 H301 PNS 102 H301 PNS 102 15.413 8.643 -0.356 789 H313 PNS 102 H313 PNS 102 17.662 8.433 0.864 790 H312 PNS 102 H312 PNS 102 18.385 9.585 -0.265 791 H311 PNS 102 H311 PNS 102 18.471 9.877 1.473 792 H32 PNS 102 H32 PNS 102 15.887 12.370 0.440 793 H33 PNS 102 H33 PNS 102 18.603 12.423 0.901 794 H36 PNS 102 H36 PNS 102 15.505 12.033 -1.838 795 H372 PNS 102 H372 PNS 102 17.255 13.336 -3.575 796 H371 PNS 102 H371 PNS 102 17.543 11.603 -3.774 797 H382 PNS 102 H382 PNS 102 15.929 11.997 -5.398 798 H381 PNS 102 H381 PNS 102 14.950 11.436 -4.047 799 H41 PNS 102 H41 PNS 102 14.335 13.415 -2.498 800 H422 PNS 102 H422 PNS 102 12.577 15.122 -3.952 801 H421 PNS 102 H421 PNS 102 12.912 15.168 -2.221 802 H431 PNS 102 H431 PNS 102 14.723 16.376 -4.326 803 H432 PNS 102 H432 PNS 102 14.877 16.533 -2.574 804 H44 PNS 102 H44 PNS 102 12.076 17.619 -4.168 Start of MODEL 6 1 H1 MET 1 HT1 MET 1 -19.421 -0.190 -0.582 2 H2 MET 1 HT2 MET 1 -19.271 1.359 0.079 3 H3 MET 1 HT3 MET 1 -18.061 0.214 0.342 4 HA MET 1 HA MET 1 -17.473 0.202 -1.949 5 HB2 MET 1 HB2 MET 1 -19.705 2.263 -2.229 6 HB3 MET 1 HB1 MET 1 -18.513 1.932 -3.479 7 HG2 MET 1 HG2 MET 1 -19.333 -0.411 -3.604 8 HG3 MET 1 HG1 MET 1 -20.572 -0.015 -2.411 9 HE1 MET 1 HE1 MET 1 -22.496 1.887 -2.898 10 HE2 MET 1 HE2 MET 1 -22.686 2.675 -4.466 11 HE3 MET 1 HE3 MET 1 -21.294 3.054 -3.453 12 H THR 2 HN THR 2 -15.546 1.128 -1.905 13 HA THR 2 HA THR 2 -15.216 4.000 -1.527 14 HB THR 2 HB THR 2 -14.975 3.065 0.801 15 HG1 THR 2 HG1 THR 2 -13.758 4.883 0.469 16 HG21 THR 2 HG21 THR 2 -14.090 0.807 0.242 17 HG22 THR 2 HG22 THR 2 -13.052 1.640 1.399 18 HG23 THR 2 HG23 THR 2 -12.573 1.540 -0.296 19 H SER 3 HN SER 3 -12.527 4.214 -1.652 20 HA SER 3 HA SER 3 -11.469 2.361 -3.697 21 HB2 SER 3 HB2 SER 3 -11.052 5.397 -3.692 22 HB3 SER 3 HB1 SER 3 -10.397 4.249 -4.870 23 HG SER 3 HG SER 3 -13.143 4.759 -4.376 24 H THR 4 HN THR 4 -9.247 1.911 -3.451 25 HA THR 4 HA THR 4 -8.039 2.136 -0.926 26 HB THR 4 HB THR 4 -6.493 1.794 -3.541 27 HG1 THR 4 HG1 THR 4 -6.944 -0.519 -3.104 28 HG21 THR 4 HG21 THR 4 -5.100 2.021 -1.494 29 HG22 THR 4 HG22 THR 4 -4.978 0.400 -2.172 30 HG23 THR 4 HG23 THR 4 -5.974 0.680 -0.742 31 H PHE 5 HN PHE 5 -7.650 4.030 -3.915 32 HA PHE 5 HA PHE 5 -5.774 5.925 -3.062 33 HB2 PHE 5 HB2 PHE 5 -6.232 5.784 -5.420 34 HB3 PHE 5 HB1 PHE 5 -7.952 6.075 -5.186 35 HD1 PHE 5 HD1 PHE 5 -4.612 7.749 -4.719 36 HD2 PHE 5 HD2 PHE 5 -8.794 8.286 -5.458 37 HE1 PHE 5 HE1 PHE 5 -4.269 10.167 -4.974 38 HE2 PHE 5 HE2 PHE 5 -8.431 10.705 -5.724 39 HZ PHE 5 HZ PHE 5 -6.170 11.646 -5.476 40 H ASP 6 HN ASP 6 -9.307 5.834 -2.612 41 HA ASP 6 HA ASP 6 -9.719 8.482 -1.714 42 HB2 ASP 6 HB2 ASP 6 -11.642 7.070 -2.262 43 HB3 ASP 6 HB1 ASP 6 -11.212 5.913 -1.010 44 H ARG 7 HN ARG 7 -8.947 5.509 0.039 45 HA ARG 7 HA ARG 7 -8.812 6.624 2.646 46 HB2 ARG 7 HB2 ARG 7 -7.481 4.124 1.515 47 HB3 ARG 7 HB1 ARG 7 -7.565 4.518 3.226 48 HG2 ARG 7 HG2 ARG 7 -9.919 3.953 1.398 49 HG3 ARG 7 HG1 ARG 7 -9.270 2.875 2.637 50 HD2 ARG 7 HD2 ARG 7 -9.882 4.533 4.378 51 HD3 ARG 7 HD1 ARG 7 -10.557 5.588 3.130 52 HE ARG 7 HE ARG 7 -11.600 2.865 3.655 53 HH11 ARG 7 HH11 ARG 7 -12.220 6.270 3.025 54 HH12 ARG 7 HH12 ARG 7 -13.936 6.110 3.184 55 HH21 ARG 7 HH21 ARG 7 -13.833 2.651 3.806 56 HH22 ARG 7 HH22 ARG 7 -14.848 4.035 3.605 57 H VAL 8 HN VAL 8 -6.207 5.755 0.351 58 HA VAL 8 HA VAL 8 -3.979 6.565 1.805 59 HB VAL 8 HB VAL 8 -4.395 6.461 -1.216 60 HG11 VAL 8 HG11 VAL 8 -1.736 6.671 0.269 61 HG12 VAL 8 HG12 VAL 8 -2.450 7.911 -0.764 62 HG13 VAL 8 HG13 VAL 8 -1.929 6.381 -1.464 63 HG21 VAL 8 HG21 VAL 8 -3.262 4.267 -1.073 64 HG22 VAL 8 HG22 VAL 8 -4.702 4.307 -0.056 65 HG23 VAL 8 HG23 VAL 8 -3.108 4.459 0.680 66 H ALA 9 HN ALA 9 -5.913 8.441 -0.493 67 HA ALA 9 HA ALA 9 -4.421 10.811 -0.610 68 HB1 ALA 9 HB1 ALA 9 -6.184 10.255 -2.253 69 HB2 ALA 9 HB2 ALA 9 -6.481 11.839 -1.535 70 HB3 ALA 9 HB3 ALA 9 -7.422 10.439 -1.011 71 H THR 10 HN THR 10 -7.229 9.908 1.409 72 HA THR 10 HA THR 10 -7.419 12.309 2.885 73 HB THR 10 HB THR 10 -8.254 9.523 3.814 74 HG1 THR 10 HG1 THR 10 -9.696 9.725 2.307 75 HG21 THR 10 HG21 THR 10 -8.235 11.143 5.687 76 HG22 THR 10 HG22 THR 10 -9.888 10.708 5.254 77 HG23 THR 10 HG23 THR 10 -9.225 12.260 4.740 78 H ILE 11 HN ILE 11 -5.644 9.271 3.550 79 HA ILE 11 HA ILE 11 -4.705 9.860 6.129 80 HB ILE 11 HB ILE 11 -3.491 8.078 3.972 81 HG12 ILE 11 HG12 ILE 11 -5.105 7.314 6.451 82 HG13 ILE 11 HG11 ILE 11 -5.778 7.436 4.834 83 HG21 ILE 11 HG21 ILE 11 -1.703 8.672 5.547 84 HG22 ILE 11 HG22 ILE 11 -2.168 6.989 5.773 85 HG23 ILE 11 HG23 ILE 11 -2.726 8.211 6.914 86 HD11 ILE 11 HD11 ILE 11 -3.644 5.487 5.702 87 HD12 ILE 11 HD12 ILE 11 -4.348 5.600 4.087 88 HD13 ILE 11 HD13 ILE 11 -5.353 5.132 5.459 89 H ILE 12 HN ILE 12 -3.271 10.546 2.924 90 HA ILE 12 HA ILE 12 -0.810 11.619 3.896 91 HB ILE 12 HB ILE 12 -2.219 11.779 1.198 92 HG12 ILE 12 HG12 ILE 12 0.212 10.193 2.148 93 HG13 ILE 12 HG11 ILE 12 -1.394 9.537 1.851 94 HG21 ILE 12 HG21 ILE 12 -0.138 12.671 0.201 95 HG22 ILE 12 HG22 ILE 12 0.576 12.817 1.808 96 HG23 ILE 12 HG23 ILE 12 -0.824 13.798 1.372 97 HD11 ILE 12 HD11 ILE 12 0.491 10.671 -0.212 98 HD12 ILE 12 HD12 ILE 12 -1.139 10.073 -0.540 99 HD13 ILE 12 HD13 ILE 12 0.102 8.974 0.060 100 H ALA 13 HN ALA 13 -3.885 13.033 2.834 101 HA ALA 13 HA ALA 13 -3.410 15.739 3.205 102 HB1 ALA 13 HB1 ALA 13 -5.853 15.960 3.448 103 HB2 ALA 13 HB2 ALA 13 -5.990 14.220 3.726 104 HB3 ALA 13 HB3 ALA 13 -5.447 14.827 2.160 105 H GLU 14 HN GLU 14 -4.348 13.290 5.603 106 HA GLU 14 HA GLU 14 -4.529 15.135 7.817 107 HB2 GLU 14 HB2 GLU 14 -4.486 12.088 7.815 108 HB3 GLU 14 HB1 GLU 14 -4.878 13.101 9.203 109 HG2 GLU 14 HG2 GLU 14 -6.473 12.792 6.645 110 HG3 GLU 14 HG1 GLU 14 -6.907 12.207 8.245 111 H THR 15 HN THR 15 -1.976 13.224 6.396 112 HA THR 15 HA THR 15 -0.233 13.211 8.690 113 HB THR 15 HB THR 15 0.316 12.599 5.753 114 HG1 THR 15 HG1 THR 15 -1.087 11.195 7.203 115 HG21 THR 15 HG21 THR 15 2.434 13.249 6.829 116 HG22 THR 15 HG22 THR 15 2.410 11.509 6.537 117 HG23 THR 15 HG23 THR 15 2.117 12.133 8.160 118 H CYS 16 HN CYS 16 -0.056 14.964 5.503 119 HA CYS 16 HA CYS 16 2.052 16.696 6.651 120 HB2 CYS 16 HB2 CYS 16 1.487 15.922 3.758 121 HB3 CYS 16 HB1 CYS 16 2.800 16.972 4.294 122 HG CYS 16 HG CYS 16 4.423 14.991 4.261 123 H ASP 17 HN ASP 17 -1.055 16.982 6.560 124 HA ASP 17 HA ASP 17 -2.687 18.466 6.140 125 HB2 ASP 17 HB2 ASP 17 -1.327 19.707 7.807 126 HB3 ASP 17 HB1 ASP 17 -0.415 20.463 6.507 127 H ILE 18 HN ILE 18 -2.369 17.391 3.892 128 HA ILE 18 HA ILE 18 -1.779 19.365 1.774 129 HB ILE 18 HB ILE 18 -2.324 16.368 1.459 130 HG12 ILE 18 HG12 ILE 18 -0.251 16.717 2.776 131 HG13 ILE 18 HG11 ILE 18 0.104 16.051 1.189 132 HG21 ILE 18 HG21 ILE 18 -1.179 18.374 -0.534 133 HG22 ILE 18 HG22 ILE 18 -2.787 17.652 -0.593 134 HG23 ILE 18 HG23 ILE 18 -1.365 16.635 -0.804 135 HD11 ILE 18 HD11 ILE 18 0.463 18.931 2.020 136 HD12 ILE 18 HD12 ILE 18 0.830 18.263 0.428 137 HD13 ILE 18 HD13 ILE 18 1.738 17.725 1.839 138 HA PRO 19 HA PRO 19 -6.303 19.904 1.382 139 HB2 PRO 19 HB2 PRO 19 -5.627 21.015 -1.325 140 HB3 PRO 19 HB1 PRO 19 -6.564 21.741 -0.012 141 HG2 PRO 19 HG2 PRO 19 -4.087 22.606 -0.543 142 HG3 PRO 19 HG1 PRO 19 -4.652 22.459 1.139 143 HD2 PRO 19 HD2 PRO 19 -2.884 20.573 -0.439 144 HD3 PRO 19 HD1 PRO 19 -2.702 21.150 1.232 145 H ARG 20 HN ARG 20 -7.538 18.197 0.936 146 HA ARG 20 HA ARG 20 -6.967 15.997 -0.661 147 HB2 ARG 20 HB2 ARG 20 -8.644 15.887 1.124 148 HB3 ARG 20 HB1 ARG 20 -9.666 17.051 0.297 149 HG2 ARG 20 HG2 ARG 20 -10.659 14.887 0.010 150 HG3 ARG 20 HG1 ARG 20 -9.999 15.375 -1.548 151 HD2 ARG 20 HD2 ARG 20 -7.952 13.954 -0.988 152 HD3 ARG 20 HD1 ARG 20 -8.873 13.322 0.384 153 HE ARG 20 HE ARG 20 -9.669 13.049 -2.463 154 HH11 ARG 20 HH11 ARG 20 -9.716 11.725 0.792 155 HH12 ARG 20 HH12 ARG 20 -10.476 10.251 0.288 156 HH21 ARG 20 HH21 ARG 20 -10.660 11.115 -3.077 157 HH22 ARG 20 HH22 ARG 20 -11.027 9.914 -1.878 158 H GLU 21 HN GLU 21 -8.517 19.037 -1.537 159 HA GLU 21 HA GLU 21 -9.720 18.263 -3.993 160 HB2 GLU 21 HB2 GLU 21 -9.942 20.708 -4.362 161 HB3 GLU 21 HB1 GLU 21 -10.431 20.252 -2.733 162 HG2 GLU 21 HG2 GLU 21 -8.120 20.948 -1.958 163 HG3 GLU 21 HG1 GLU 21 -7.863 21.621 -3.566 164 H THR 22 HN THR 22 -6.493 19.368 -3.091 165 HA THR 22 HA THR 22 -5.571 19.558 -5.879 166 HB THR 22 HB THR 22 -3.474 20.479 -4.918 167 HG1 THR 22 HG1 THR 22 -3.810 19.238 -2.823 168 HG21 THR 22 HG21 THR 22 -5.306 22.055 -5.389 169 HG22 THR 22 HG22 THR 22 -4.395 22.576 -3.971 170 HG23 THR 22 HG23 THR 22 -5.964 21.795 -3.772 171 H ILE 23 HN ILE 23 -6.229 16.960 -4.290 172 HA ILE 23 HA ILE 23 -3.683 15.529 -4.764 173 HB ILE 23 HB ILE 23 -6.094 14.836 -3.005 174 HG12 ILE 23 HG12 ILE 23 -3.165 15.329 -2.272 175 HG13 ILE 23 HG11 ILE 23 -4.490 16.449 -1.990 176 HG21 ILE 23 HG21 ILE 23 -5.358 12.775 -4.081 177 HG22 ILE 23 HG22 ILE 23 -4.900 12.751 -2.378 178 HG23 ILE 23 HG23 ILE 23 -3.691 13.092 -3.615 179 HD11 ILE 23 HD11 ILE 23 -3.869 15.325 0.048 180 HD12 ILE 23 HD12 ILE 23 -4.134 13.750 -0.695 181 HD13 ILE 23 HD13 ILE 23 -5.498 14.840 -0.427 182 H THR 24 HN THR 24 -3.790 14.940 -6.902 183 HA THR 24 HA THR 24 -6.181 13.546 -7.952 184 HB THR 24 HB THR 24 -4.904 13.593 -10.150 185 HG1 THR 24 HG1 THR 24 -2.905 14.349 -8.542 186 HG21 THR 24 HG21 THR 24 -5.299 16.323 -8.878 187 HG22 THR 24 HG22 THR 24 -6.558 15.360 -9.657 188 HG23 THR 24 HG23 THR 24 -5.211 15.983 -10.609 189 HA PRO 25 HA PRO 25 -4.205 9.446 -7.622 190 HB2 PRO 25 HB2 PRO 25 -4.929 8.991 -10.507 191 HB3 PRO 25 HB1 PRO 25 -5.292 8.000 -9.086 192 HG2 PRO 25 HG2 PRO 25 -7.201 9.473 -10.204 193 HG3 PRO 25 HG1 PRO 25 -7.089 9.362 -8.432 194 HD2 PRO 25 HD2 PRO 25 -6.180 11.595 -10.258 195 HD3 PRO 25 HD1 PRO 25 -7.041 11.689 -8.702 196 H GLU 26 HN GLU 26 -3.394 11.700 -10.159 197 HA GLU 26 HA GLU 26 -0.960 10.281 -10.980 198 HB2 GLU 26 HB2 GLU 26 -0.926 11.994 -12.826 199 HB3 GLU 26 HB1 GLU 26 -2.389 11.012 -12.807 200 HG2 GLU 26 HG2 GLU 26 -3.517 12.917 -11.553 201 HG3 GLU 26 HG1 GLU 26 -2.088 13.891 -11.890 202 H SER 27 HN SER 27 -1.649 12.061 -8.441 203 HA SER 27 HA SER 27 0.320 14.163 -8.509 204 HB2 SER 27 HB2 SER 27 -1.219 12.891 -6.207 205 HB3 SER 27 HB1 SER 27 -0.043 14.186 -5.975 206 HG SER 27 HG SER 27 -1.357 15.584 -6.890 207 H HIS 28 HN HIS 28 2.450 13.903 -8.298 208 HA HIS 28 HA HIS 28 3.622 11.411 -7.311 209 HB2 HIS 28 HB2 HIS 28 4.462 12.663 -9.374 210 HB3 HIS 28 HB1 HIS 28 5.016 13.938 -8.297 211 HD2 HIS 28 HD2 HIS 28 6.120 10.590 -9.696 212 HE1 HIS 28 HE1 HIS 28 8.879 11.666 -6.679 213 HE2 HIS 28 HE2 HIS 28 8.519 10.359 -8.805 214 H ALA 29 HN ALA 29 4.191 11.260 -5.163 215 HA ALA 29 HA ALA 29 3.604 12.958 -3.169 216 HB1 ALA 29 HB1 ALA 29 5.924 11.015 -3.171 217 HB2 ALA 29 HB2 ALA 29 4.236 10.606 -2.855 218 HB3 ALA 29 HB3 ALA 29 5.114 11.660 -1.743 219 H ILE 30 HN ILE 30 6.675 13.060 -5.024 220 HA ILE 30 HA ILE 30 7.798 15.004 -3.089 221 HB ILE 30 HB ILE 30 9.250 13.572 -5.373 222 HG12 ILE 30 HG12 ILE 30 9.268 12.869 -2.395 223 HG13 ILE 30 HG11 ILE 30 8.484 11.924 -3.659 224 HG21 ILE 30 HG21 ILE 30 10.359 15.174 -3.029 225 HG22 ILE 30 HG22 ILE 30 10.332 15.687 -4.718 226 HG23 ILE 30 HG23 ILE 30 11.326 14.315 -4.231 227 HD11 ILE 30 HD11 ILE 30 11.457 12.426 -3.419 228 HD12 ILE 30 HD12 ILE 30 10.663 11.458 -4.666 229 HD13 ILE 30 HD13 ILE 30 10.603 10.948 -2.981 230 H ASP 31 HN ASP 31 7.176 14.450 -6.548 231 HA ASP 31 HA ASP 31 8.408 16.923 -7.397 232 HB2 ASP 31 HB2 ASP 31 8.594 14.787 -8.680 233 HB3 ASP 31 HB1 ASP 31 6.867 14.841 -9.005 234 H ASP 32 HN ASP 32 5.131 15.795 -6.815 235 HA ASP 32 HA ASP 32 3.981 18.318 -7.856 236 HB2 ASP 32 HB2 ASP 32 2.958 16.299 -8.824 237 HB3 ASP 32 HB1 ASP 32 2.621 15.662 -7.216 238 H LEU 33 HN LEU 33 3.318 16.056 -5.124 239 HA LEU 33 HA LEU 33 1.840 17.945 -3.625 240 HB2 LEU 33 HB2 LEU 33 3.143 15.353 -2.711 241 HB3 LEU 33 HB1 LEU 33 1.960 16.260 -1.782 242 HG LEU 33 HG LEU 33 1.440 14.894 -4.454 243 HD11 LEU 33 HD11 LEU 33 0.543 14.100 -1.663 244 HD12 LEU 33 HD12 LEU 33 1.759 13.282 -2.647 245 HD13 LEU 33 HD13 LEU 33 0.081 13.307 -3.173 246 HD21 LEU 33 HD21 LEU 33 -0.511 16.369 -2.641 247 HD22 LEU 33 HD22 LEU 33 -0.942 15.435 -4.077 248 HD23 LEU 33 HD23 LEU 33 0.035 16.890 -4.239 249 H GLY 34 HN GLY 34 5.267 17.398 -3.818 250 HA2 GLY 34 HA2 GLY 34 7.068 18.370 -2.781 251 HA3 GLY 34 HA1 GLY 34 5.957 19.534 -2.073 252 H ILE 35 HN ILE 35 6.383 16.054 -1.790 253 HA ILE 35 HA ILE 35 6.792 16.221 1.142 254 HB ILE 35 HB ILE 35 5.233 14.084 -0.425 255 HG12 ILE 35 HG12 ILE 35 4.191 16.041 1.667 256 HG13 ILE 35 HG11 ILE 35 3.965 16.220 -0.070 257 HG21 ILE 35 HG21 ILE 35 4.747 13.014 1.749 258 HG22 ILE 35 HG22 ILE 35 5.782 14.185 2.564 259 HG23 ILE 35 HG23 ILE 35 6.482 13.038 1.419 260 HD11 ILE 35 HD11 ILE 35 2.881 13.987 1.644 261 HD12 ILE 35 HD12 ILE 35 2.654 14.149 -0.101 262 HD13 ILE 35 HD13 ILE 35 1.979 15.354 0.994 263 H ASP 36 HN ASP 36 8.886 15.601 1.477 264 HA ASP 36 HA ASP 36 10.465 14.312 -0.563 265 HB2 ASP 36 HB2 ASP 36 11.348 16.077 1.013 266 HB3 ASP 36 HB1 ASP 36 11.187 14.940 2.345 267 H SER 37 HN SER 37 11.780 12.285 -0.033 268 HA SER 37 HA SER 37 10.070 10.115 0.477 269 HB2 SER 37 HB2 SER 37 13.091 9.978 0.691 270 HB3 SER 37 HB1 SER 37 11.975 8.719 0.143 271 H LEU 38 HN LEU 38 12.183 11.926 2.598 272 HA LEU 38 HA LEU 38 12.222 10.200 4.857 273 HB2 LEU 38 HB2 LEU 38 12.521 13.223 4.680 274 HB3 LEU 38 HB1 LEU 38 12.883 12.267 6.114 275 HG LEU 38 HG LEU 38 14.319 12.011 3.437 276 HD11 LEU 38 HD11 LEU 38 14.847 14.132 4.491 277 HD12 LEU 38 HD12 LEU 38 16.235 13.052 4.563 278 HD13 LEU 38 HD13 LEU 38 15.254 13.319 6.005 279 HD21 LEU 38 HD21 LEU 38 15.915 10.571 4.642 280 HD22 LEU 38 HD22 LEU 38 14.296 9.879 4.643 281 HD23 LEU 38 HD23 LEU 38 14.919 10.661 6.099 282 H ASP 39 HN ASP 39 10.138 12.927 3.934 283 HA ASP 39 HA ASP 39 8.298 12.747 6.121 284 HB2 ASP 39 HB2 ASP 39 7.904 13.913 3.323 285 HB3 ASP 39 HB1 ASP 39 6.807 14.160 4.684 286 H PHE 40 HN PHE 40 8.687 11.070 3.112 287 HA PHE 40 HA PHE 40 6.024 10.025 2.881 288 HB2 PHE 40 HB2 PHE 40 7.707 10.453 0.971 289 HB3 PHE 40 HB1 PHE 40 8.477 8.952 1.457 290 HD1 PHE 40 HD1 PHE 40 5.009 10.209 0.705 291 HD2 PHE 40 HD2 PHE 40 7.863 7.057 0.211 292 HE1 PHE 40 HE1 PHE 40 3.437 9.002 -0.743 293 HE2 PHE 40 HE2 PHE 40 6.273 5.858 -1.236 294 HZ PHE 40 HZ PHE 40 4.067 6.826 -1.715 295 H LEU 41 HN LEU 41 8.899 9.091 4.556 296 HA LEU 41 HA LEU 41 8.314 6.389 5.191 297 HB2 LEU 41 HB2 LEU 41 9.671 8.505 6.925 298 HB3 LEU 41 HB1 LEU 41 9.690 6.778 7.251 299 HG LEU 41 HG LEU 41 10.967 8.106 4.824 300 HD11 LEU 41 HD11 LEU 41 12.147 8.704 6.894 301 HD12 LEU 41 HD12 LEU 41 13.121 7.645 5.881 302 HD13 LEU 41 HD13 LEU 41 12.312 6.996 7.309 303 HD21 LEU 41 HD21 LEU 41 10.241 5.818 4.338 304 HD22 LEU 41 HD22 LEU 41 11.103 5.219 5.757 305 HD23 LEU 41 HD23 LEU 41 12.000 5.915 4.406 306 H ASP 42 HN ASP 42 7.507 9.454 6.823 307 HA ASP 42 HA ASP 42 5.955 8.405 8.957 308 HB2 ASP 42 HB2 ASP 42 7.055 10.686 8.888 309 HB3 ASP 42 HB1 ASP 42 5.821 11.208 7.753 310 H ILE 43 HN ILE 43 5.085 9.733 5.785 311 HA ILE 43 HA ILE 43 2.332 9.463 5.631 312 HB ILE 43 HB ILE 43 4.453 8.808 3.529 313 HG12 ILE 43 HG12 ILE 43 4.308 11.213 4.395 314 HG13 ILE 43 HG11 ILE 43 4.206 11.015 2.653 315 HG21 ILE 43 HG21 ILE 43 2.690 9.014 1.785 316 HG22 ILE 43 HG22 ILE 43 1.468 9.099 3.057 317 HG23 ILE 43 HG23 ILE 43 2.437 7.640 2.862 318 HD11 ILE 43 HD11 ILE 43 1.875 11.465 4.495 319 HD12 ILE 43 HD12 ILE 43 1.830 11.368 2.733 320 HD13 ILE 43 HD13 ILE 43 2.679 12.694 3.520 321 H ALA 44 HN ALA 44 4.856 6.994 5.127 322 HA ALA 44 HA ALA 44 3.043 4.930 4.327 323 HB1 ALA 44 HB1 ALA 44 5.040 3.530 4.235 324 HB2 ALA 44 HB2 ALA 44 5.985 4.782 5.050 325 HB3 ALA 44 HB3 ALA 44 5.325 5.076 3.439 326 H PHE 45 HN PHE 45 4.533 5.894 7.395 327 HA PHE 45 HA PHE 45 4.067 3.512 8.883 328 HB2 PHE 45 HB2 PHE 45 4.456 6.420 9.667 329 HB3 PHE 45 HB1 PHE 45 3.912 5.279 10.886 330 HD1 PHE 45 HD1 PHE 45 5.353 3.151 11.223 331 HD2 PHE 45 HD2 PHE 45 6.792 6.679 9.291 332 HE1 PHE 45 HE1 PHE 45 7.660 2.476 11.709 333 HE2 PHE 45 HE2 PHE 45 9.106 5.993 9.773 334 HZ PHE 45 HZ PHE 45 9.542 3.888 10.982 335 H ALA 46 HN ALA 46 2.151 6.415 8.291 336 HA ALA 46 HA ALA 46 -0.106 5.744 9.874 337 HB1 ALA 46 HB1 ALA 46 -1.234 7.566 8.675 338 HB2 ALA 46 HB2 ALA 46 0.072 7.600 7.485 339 HB3 ALA 46 HB3 ALA 46 0.392 8.038 9.164 340 H ILE 47 HN ILE 47 0.545 5.346 6.383 341 HA ILE 47 HA ILE 47 -1.969 4.225 5.662 342 HB ILE 47 HB ILE 47 0.731 4.019 4.257 343 HG12 ILE 47 HG12 ILE 47 -1.631 5.892 3.747 344 HG13 ILE 47 HG11 ILE 47 -0.092 6.353 4.465 345 HG21 ILE 47 HG21 ILE 47 -0.518 3.390 2.228 346 HG22 ILE 47 HG22 ILE 47 -2.020 3.360 3.149 347 HG23 ILE 47 HG23 ILE 47 -0.741 2.198 3.507 348 HD11 ILE 47 HD11 ILE 47 -0.511 5.402 1.628 349 HD12 ILE 47 HD12 ILE 47 1.040 5.849 2.346 350 HD13 ILE 47 HD13 ILE 47 -0.227 7.060 2.157 351 H ASP 48 HN ASP 48 1.156 2.784 6.435 352 HA ASP 48 HA ASP 48 0.864 0.095 5.939 353 HB2 ASP 48 HB2 ASP 48 2.927 1.290 6.732 354 HB3 ASP 48 HB1 ASP 48 2.232 1.406 8.335 355 H LYS 49 HN LYS 49 0.285 1.719 9.026 356 HA LYS 49 HA LYS 49 -0.777 -0.547 10.366 357 HB2 LYS 49 HB2 LYS 49 -0.881 2.405 11.124 358 HB3 LYS 49 HB1 LYS 49 -1.206 1.055 12.218 359 HG2 LYS 49 HG2 LYS 49 1.109 0.271 11.992 360 HG3 LYS 49 HG1 LYS 49 1.448 1.536 10.804 361 HD2 LYS 49 HD2 LYS 49 0.972 3.244 12.579 362 HD3 LYS 49 HD1 LYS 49 0.784 1.935 13.748 363 HE2 LYS 49 HE2 LYS 49 3.128 1.273 13.403 364 HE3 LYS 49 HE1 LYS 49 3.317 2.515 12.161 365 HZ1 LYS 49 HZ1 LYS 49 2.920 4.198 13.838 366 HZ2 LYS 49 HZ2 LYS 49 4.221 3.218 14.282 367 HZ3 LYS 49 HZ3 LYS 49 2.716 3.016 15.029 368 H ALA 50 HN ALA 50 -2.280 2.247 8.733 369 HA ALA 50 HA ALA 50 -4.931 1.956 9.507 370 HB1 ALA 50 HB1 ALA 50 -4.085 3.893 8.245 371 HB2 ALA 50 HB2 ALA 50 -5.506 3.206 7.457 372 HB3 ALA 50 HB3 ALA 50 -3.895 2.890 6.805 373 H PHE 51 HN PHE 51 -3.436 0.609 6.539 374 HA PHE 51 HA PHE 51 -5.750 -0.992 5.881 375 HB2 PHE 51 HB2 PHE 51 -2.991 -0.736 4.644 376 HB3 PHE 51 HB1 PHE 51 -4.196 -1.855 4.026 377 HD1 PHE 51 HD2 PHE 51 -3.482 1.766 4.575 378 HD2 PHE 51 HD1 PHE 51 -5.930 -1.111 2.571 379 HE1 PHE 51 HE2 PHE 51 -4.378 3.531 3.104 380 HE2 PHE 51 HE1 PHE 51 -6.821 0.659 1.119 381 HZ PHE 51 HZ PHE 51 -6.043 2.974 1.373 382 H GLY 52 HN GLY 52 -3.253 -1.476 8.084 383 HA2 GLY 52 HA2 GLY 52 -2.547 -3.270 9.317 384 HA3 GLY 52 HA1 GLY 52 -3.910 -4.166 8.658 385 H ILE 53 HN ILE 53 -1.423 -2.752 6.641 386 HA ILE 53 HA ILE 53 -0.360 -5.437 5.938 387 HB ILE 53 HB ILE 53 0.080 -4.446 3.622 388 HG12 ILE 53 HG12 ILE 53 -1.588 -2.495 3.009 389 HG13 ILE 53 HG11 ILE 53 -1.618 -2.152 4.729 390 HG21 ILE 53 HG21 ILE 53 -2.233 -4.790 2.844 391 HG22 ILE 53 HG22 ILE 53 -2.817 -4.674 4.505 392 HG23 ILE 53 HG23 ILE 53 -1.754 -6.002 4.034 393 HD11 ILE 53 HD11 ILE 53 -0.133 -0.681 3.497 394 HD12 ILE 53 HD12 ILE 53 0.826 -2.061 2.966 395 HD13 ILE 53 HD13 ILE 53 0.756 -1.637 4.680 396 H LYS 54 HN LYS 54 1.907 -5.198 4.859 397 HA LYS 54 HA LYS 54 3.461 -3.184 6.374 398 HB2 LYS 54 HB2 LYS 54 3.840 -5.605 7.068 399 HB3 LYS 54 HB1 LYS 54 4.519 -5.893 5.467 400 HG2 LYS 54 HG2 LYS 54 6.358 -5.475 6.972 401 HG3 LYS 54 HG1 LYS 54 6.198 -4.075 5.911 402 HD2 LYS 54 HD2 LYS 54 4.665 -3.160 7.936 403 HD3 LYS 54 HD1 LYS 54 5.630 -4.307 8.868 404 HE2 LYS 54 HE2 LYS 54 6.666 -2.132 9.015 405 HE3 LYS 54 HE1 LYS 54 7.697 -3.141 7.999 406 HZ1 LYS 54 HZ1 LYS 54 5.721 -1.147 7.015 407 HZ2 LYS 54 HZ2 LYS 54 6.739 -2.092 6.048 408 HZ3 LYS 54 HZ3 LYS 54 7.398 -0.928 7.079 409 H LEU 55 HN LEU 55 4.024 -1.551 4.972 410 HA LEU 55 HA LEU 55 4.594 -2.017 2.194 411 HB2 LEU 55 HB2 LEU 55 4.943 0.442 3.966 412 HB3 LEU 55 HB1 LEU 55 5.195 0.434 2.224 413 HG LEU 55 HG LEU 55 2.534 -0.116 3.605 414 HD11 LEU 55 HD11 LEU 55 1.819 2.079 2.757 415 HD12 LEU 55 HD12 LEU 55 3.448 2.380 2.144 416 HD13 LEU 55 HD13 LEU 55 3.172 2.221 3.880 417 HD21 LEU 55 HD21 LEU 55 2.718 -1.309 1.460 418 HD22 LEU 55 HD22 LEU 55 3.145 0.194 0.639 419 HD23 LEU 55 HD23 LEU 55 1.545 -0.001 1.356 420 HA PRO 56 HA PRO 56 9.124 -2.437 2.980 421 HB2 PRO 56 HB2 PRO 56 9.826 -3.219 0.474 422 HB3 PRO 56 HB1 PRO 56 9.081 -4.337 1.628 423 HG2 PRO 56 HG2 PRO 56 7.816 -2.841 -0.658 424 HG3 PRO 56 HG1 PRO 56 7.586 -4.533 -0.167 425 HD2 PRO 56 HD2 PRO 56 5.836 -2.501 0.496 426 HD3 PRO 56 HD1 PRO 56 6.043 -3.974 1.467 427 H LEU 57 HN LEU 57 8.409 0.029 3.138 428 HA LEU 57 HA LEU 57 8.500 1.693 0.841 429 HB2 LEU 57 HB2 LEU 57 7.375 2.081 3.181 430 HB3 LEU 57 HB1 LEU 57 8.942 2.665 3.694 431 HG LEU 57 HG LEU 57 7.356 4.487 3.123 432 HD11 LEU 57 HD11 LEU 57 9.721 4.994 2.917 433 HD12 LEU 57 HD12 LEU 57 8.759 5.896 1.748 434 HD13 LEU 57 HD13 LEU 57 9.697 4.492 1.226 435 HD21 LEU 57 HD21 LEU 57 6.629 4.900 0.844 436 HD22 LEU 57 HD22 LEU 57 6.071 3.328 1.403 437 HD23 LEU 57 HD23 LEU 57 7.440 3.434 0.291 438 H GLU 58 HN GLU 58 10.863 0.958 3.418 439 HA GLU 58 HA GLU 58 12.896 2.732 2.591 440 HB2 GLU 58 HB2 GLU 58 13.118 0.119 4.144 441 HB3 GLU 58 HB1 GLU 58 14.467 1.214 3.882 442 HG2 GLU 58 HG2 GLU 58 13.744 1.751 6.032 443 HG3 GLU 58 HG1 GLU 58 13.046 3.016 5.032 444 H LYS 59 HN LYS 59 12.119 -0.560 1.601 445 HA LYS 59 HA LYS 59 14.370 -1.054 -0.055 446 HB2 LYS 59 HB2 LYS 59 12.933 -2.923 0.586 447 HB3 LYS 59 HB1 LYS 59 11.534 -2.163 -0.164 448 HG2 LYS 59 HG2 LYS 59 12.539 -2.464 -2.395 449 HG3 LYS 59 HG1 LYS 59 13.973 -3.186 -1.662 450 HD2 LYS 59 HD2 LYS 59 11.211 -4.393 -1.266 451 HD3 LYS 59 HD1 LYS 59 12.172 -4.759 -2.696 452 HE2 LYS 59 HE2 LYS 59 12.491 -6.529 -1.085 453 HE3 LYS 59 HE1 LYS 59 13.991 -5.617 -1.201 454 HZ1 LYS 59 HZ1 LYS 59 11.968 -5.299 0.944 455 HZ2 LYS 59 HZ2 LYS 59 13.468 -4.525 0.856 456 HZ3 LYS 59 HZ3 LYS 59 13.395 -6.198 1.075 457 H TRP 60 HN TRP 60 11.131 0.270 -0.707 458 HA TRP 60 HA TRP 60 11.314 0.725 -3.469 459 HB2 TRP 60 HB2 TRP 60 9.664 2.193 -1.364 460 HB3 TRP 60 HB1 TRP 60 9.446 2.398 -3.098 461 HD1 TRP 60 HD1 TRP 60 9.970 -1.129 -3.005 462 HE1 TRP 60 HE1 TRP 60 7.781 -2.446 -2.772 463 HE3 TRP 60 HE3 TRP 60 6.910 2.649 -1.420 464 HZ2 TRP 60 HZ2 TRP 60 5.119 -1.965 -2.019 465 HZ3 TRP 60 HZ3 TRP 60 4.549 2.132 -0.963 466 HH2 TRP 60 HH2 TRP 60 3.672 -0.129 -1.258 467 H THR 61 HN THR 61 12.278 2.718 -0.728 468 HA THR 61 HA THR 61 12.771 5.130 -2.160 469 HB THR 61 HB THR 61 13.846 4.267 0.564 470 HG1 THR 61 HG1 THR 61 11.424 4.485 0.100 471 HG21 THR 61 HG21 THR 61 14.117 6.677 1.013 472 HG22 THR 61 HG22 THR 61 13.589 7.056 -0.625 473 HG23 THR 61 HG23 THR 61 15.104 6.190 -0.366 474 H GLN 62 HN GLN 62 14.770 2.306 -1.298 475 HA GLN 62 HA GLN 62 17.266 3.507 -2.123 476 HB2 GLN 62 HB2 GLN 62 16.546 0.609 -1.521 477 HB3 GLN 62 HB1 GLN 62 18.178 1.182 -1.863 478 HG2 GLN 62 HG2 GLN 62 18.039 2.635 0.148 479 HG3 GLN 62 HG1 GLN 62 16.459 1.946 0.515 480 HE21 GLN 62 HE21 GLN 62 18.842 1.873 2.131 481 HE22 GLN 62 HE22 GLN 62 19.227 0.211 2.394 482 H GLU 63 HN GLU 63 14.801 1.409 -3.556 483 HA GLU 63 HA GLU 63 16.109 0.781 -5.982 484 HB2 GLU 63 HB2 GLU 63 13.140 1.103 -5.393 485 HB3 GLU 63 HB1 GLU 63 13.774 0.458 -6.907 486 HG2 GLU 63 HG2 GLU 63 14.819 -1.401 -5.680 487 HG3 GLU 63 HG1 GLU 63 14.208 -0.758 -4.161 488 H VAL 64 HN VAL 64 14.202 3.568 -5.002 489 HA VAL 64 HA VAL 64 14.217 4.975 -7.463 490 HB VAL 64 HB VAL 64 13.802 5.812 -4.568 491 HG11 VAL 64 HG11 VAL 64 14.753 7.779 -5.620 492 HG12 VAL 64 HG12 VAL 64 13.025 8.038 -5.385 493 HG13 VAL 64 HG13 VAL 64 13.650 7.643 -6.989 494 HG21 VAL 64 HG21 VAL 64 11.443 6.086 -5.288 495 HG22 VAL 64 HG22 VAL 64 12.017 4.444 -5.588 496 HG23 VAL 64 HG23 VAL 64 11.882 5.588 -6.924 497 H ASN 65 HN ASN 65 16.203 5.448 -4.507 498 HA ASN 65 HA ASN 65 17.897 7.429 -5.515 499 HB2 ASN 65 HB2 ASN 65 18.237 5.492 -3.202 500 HB3 ASN 65 HB1 ASN 65 19.426 6.737 -3.559 501 HD21 ASN 65 HD21 ASN 65 15.914 7.218 -3.878 502 HD22 ASN 65 HD22 ASN 65 15.783 8.325 -2.572 503 H ASP 66 HN ASP 66 18.141 3.952 -5.867 504 HA ASP 66 HA ASP 66 20.839 4.157 -7.055 505 HB2 ASP 66 HB2 ASP 66 19.214 1.762 -6.130 506 HB3 ASP 66 HB1 ASP 66 20.749 1.609 -6.988 507 H GLY 67 HN GLY 67 17.900 4.660 -8.199 508 HA2 GLY 67 HA2 GLY 67 16.935 4.651 -10.261 509 HA3 GLY 67 HA1 GLY 67 18.547 4.366 -10.890 510 H LYS 68 HN LYS 68 17.359 1.949 -8.781 511 HA LYS 68 HA LYS 68 17.333 -0.157 -10.695 512 HB2 LYS 68 HB2 LYS 68 16.108 -0.014 -7.905 513 HB3 LYS 68 HB1 LYS 68 16.365 -1.500 -8.816 514 HG2 LYS 68 HG2 LYS 68 18.783 -1.235 -8.654 515 HG3 LYS 68 HG1 LYS 68 18.597 0.358 -7.911 516 HD2 LYS 68 HD2 LYS 68 19.127 -1.378 -6.223 517 HD3 LYS 68 HD1 LYS 68 17.549 -0.642 -5.934 518 HE2 LYS 68 HE2 LYS 68 16.467 -2.617 -7.027 519 HE3 LYS 68 HE1 LYS 68 18.060 -3.357 -7.214 520 HZ1 LYS 68 HZ1 LYS 68 16.938 -4.212 -5.291 521 HZ2 LYS 68 HZ2 LYS 68 16.731 -2.658 -4.661 522 HZ3 LYS 68 HZ3 LYS 68 18.282 -3.310 -4.800 523 H ALA 69 HN ALA 69 14.875 1.802 -9.151 524 HA ALA 69 HA ALA 69 12.853 1.098 -11.162 525 HB1 ALA 69 HB1 ALA 69 11.109 0.944 -9.427 526 HB2 ALA 69 HB2 ALA 69 12.320 1.188 -8.163 527 HB3 ALA 69 HB3 ALA 69 12.360 -0.271 -9.158 528 H THR 70 HN THR 70 11.618 2.818 -11.778 529 HA THR 70 HA THR 70 12.452 5.482 -11.267 530 HB THR 70 HB THR 70 9.914 4.452 -12.631 531 HG1 THR 70 HG1 THR 70 12.579 4.697 -13.445 532 HG21 THR 70 HG21 THR 70 9.700 6.858 -12.099 533 HG22 THR 70 HG22 THR 70 9.905 6.626 -13.836 534 HG23 THR 70 HG23 THR 70 11.264 7.179 -12.858 535 H THR 71 HN THR 71 11.451 7.105 -10.129 536 HA THR 71 HA THR 71 10.421 6.746 -7.622 537 HB THR 71 HB THR 71 9.628 9.145 -7.787 538 HG1 THR 71 HG1 THR 71 10.628 9.780 -10.172 539 HG21 THR 71 HG21 THR 71 11.825 10.167 -8.310 540 HG22 THR 71 HG22 THR 71 12.377 8.623 -8.964 541 HG23 THR 71 HG23 THR 71 11.982 8.767 -7.252 542 H GLU 72 HN GLU 72 8.499 7.780 -10.442 543 HA GLU 72 HA GLU 72 6.009 8.000 -9.529 544 HB2 GLU 72 HB2 GLU 72 6.830 6.786 -12.191 545 HB3 GLU 72 HB1 GLU 72 5.216 7.395 -11.835 546 HG2 GLU 72 HG2 GLU 72 6.153 9.655 -11.462 547 HG3 GLU 72 HG1 GLU 72 7.765 9.039 -11.828 548 H GLN 73 HN GLN 73 7.469 4.891 -10.203 549 HA GLN 73 HA GLN 73 5.199 3.233 -10.289 550 HB2 GLN 73 HB2 GLN 73 8.000 2.503 -9.346 551 HB3 GLN 73 HB1 GLN 73 6.734 1.340 -9.747 552 HG2 GLN 73 HG2 GLN 73 6.701 2.212 -12.072 553 HG3 GLN 73 HG1 GLN 73 8.015 3.318 -11.667 554 HE21 GLN 73 HE21 GLN 73 10.058 2.440 -11.189 555 HE22 GLN 73 HE22 GLN 73 10.533 0.888 -11.782 556 H TYR 74 HN TYR 74 6.831 4.605 -7.538 557 HA TYR 74 HA TYR 74 5.051 3.149 -5.663 558 HB2 TYR 74 HB2 TYR 74 7.755 4.374 -4.972 559 HB3 TYR 74 HB1 TYR 74 6.776 3.302 -3.972 560 HD1 TYR 74 HD2 TYR 74 6.157 0.968 -5.356 561 HD2 TYR 74 HD1 TYR 74 9.675 3.354 -5.863 562 HE1 TYR 74 HE2 TYR 74 7.353 -0.980 -6.247 563 HE2 TYR 74 HE1 TYR 74 10.863 1.402 -6.756 564 HH TYR 74 HH TYR 74 10.690 -1.081 -6.588 565 H PHE 75 HN PHE 75 6.083 6.327 -6.779 566 HA PHE 75 HA PHE 75 5.134 7.636 -4.315 567 HB2 PHE 75 HB2 PHE 75 7.047 8.499 -6.512 568 HB3 PHE 75 HB1 PHE 75 6.370 9.663 -5.380 569 HD1 PHE 75 HD1 PHE 75 8.401 6.496 -5.493 570 HD2 PHE 75 HD2 PHE 75 7.385 9.995 -3.263 571 HE1 PHE 75 HE1 PHE 75 10.159 5.971 -3.851 572 HE2 PHE 75 HE2 PHE 75 9.147 9.469 -1.637 573 HZ PHE 75 HZ PHE 75 10.534 7.451 -1.921 574 H VAL 76 HN VAL 76 3.922 6.973 -7.406 575 HA VAL 76 HA VAL 76 2.332 9.469 -7.545 576 HB VAL 76 HB VAL 76 2.695 7.210 -9.563 577 HG11 VAL 76 HG11 VAL 76 0.305 7.762 -9.587 578 HG12 VAL 76 HG12 VAL 76 1.078 8.375 -11.050 579 HG13 VAL 76 HG13 VAL 76 0.676 9.480 -9.731 580 HG21 VAL 76 HG21 VAL 76 3.190 10.206 -9.767 581 HG22 VAL 76 HG22 VAL 76 3.510 9.013 -11.031 582 HG23 VAL 76 HG23 VAL 76 4.427 8.972 -9.526 583 H LEU 77 HN LEU 77 0.282 9.454 -6.803 584 HA LEU 77 HA LEU 77 -0.189 7.670 -4.739 585 HB2 LEU 77 HB2 LEU 77 -2.174 9.609 -5.946 586 HB3 LEU 77 HB1 LEU 77 -2.300 8.871 -4.353 587 HG LEU 77 HG LEU 77 -0.261 10.915 -5.287 588 HD11 LEU 77 HD11 LEU 77 -1.167 12.293 -3.488 589 HD12 LEU 77 HD12 LEU 77 -2.327 11.026 -3.083 590 HD13 LEU 77 HD13 LEU 77 -2.411 11.834 -4.650 591 HD21 LEU 77 HD21 LEU 77 0.988 9.309 -3.959 592 HD22 LEU 77 HD22 LEU 77 -0.214 9.376 -2.669 593 HD23 LEU 77 HD23 LEU 77 0.769 10.795 -3.035 594 H LYS 78 HN LYS 78 -1.510 7.432 -8.000 595 HA LYS 78 HA LYS 78 -3.513 5.450 -7.318 596 HB2 LYS 78 HB2 LYS 78 -3.703 5.067 -9.780 597 HB3 LYS 78 HB1 LYS 78 -3.872 6.756 -9.334 598 HG2 LYS 78 HG2 LYS 78 -1.538 7.178 -10.039 599 HG3 LYS 78 HG1 LYS 78 -1.388 5.484 -10.518 600 HD2 LYS 78 HD2 LYS 78 -3.086 5.763 -12.234 601 HD3 LYS 78 HD1 LYS 78 -3.435 7.407 -11.690 602 HE2 LYS 78 HE2 LYS 78 -1.216 8.142 -12.395 603 HE3 LYS 78 HE1 LYS 78 -0.780 6.491 -12.848 604 HZ1 LYS 78 HZ1 LYS 78 -2.968 8.078 -14.068 605 HZ2 LYS 78 HZ2 LYS 78 -2.486 6.523 -14.528 606 HZ3 LYS 78 HZ3 LYS 78 -1.442 7.835 -14.755 607 H ASN 79 HN ASN 79 -0.198 5.405 -8.474 608 HA ASN 79 HA ASN 79 0.030 2.572 -8.875 609 HB2 ASN 79 HB2 ASN 79 2.208 4.688 -8.523 610 HB3 ASN 79 HB1 ASN 79 2.480 3.032 -9.069 611 HD21 ASN 79 HD21 ASN 79 3.019 5.568 -10.435 612 HD22 ASN 79 HD22 ASN 79 2.162 5.494 -11.930 613 H LEU 80 HN LEU 80 0.948 4.831 -6.316 614 HA LEU 80 HA LEU 80 2.028 3.123 -4.403 615 HB2 LEU 80 HB2 LEU 80 2.163 5.582 -4.207 616 HB3 LEU 80 HB1 LEU 80 0.418 5.694 -4.063 617 HG LEU 80 HG LEU 80 0.551 4.469 -1.872 618 HD11 LEU 80 HD11 LEU 80 2.691 4.214 -0.711 619 HD12 LEU 80 HD12 LEU 80 3.557 4.766 -2.144 620 HD13 LEU 80 HD13 LEU 80 2.653 3.250 -2.188 621 HD21 LEU 80 HD21 LEU 80 1.392 6.372 -0.550 622 HD22 LEU 80 HD22 LEU 80 0.376 6.903 -1.887 623 HD23 LEU 80 HD23 LEU 80 2.132 7.057 -2.001 624 H ALA 81 HN ALA 81 -1.349 4.239 -4.872 625 HA ALA 81 HA ALA 81 -2.548 2.811 -2.747 626 HB1 ALA 81 HB1 ALA 81 -4.692 3.250 -3.873 627 HB2 ALA 81 HB2 ALA 81 -3.835 3.725 -5.345 628 HB3 ALA 81 HB3 ALA 81 -3.671 4.689 -3.877 629 H ALA 82 HN ALA 82 -1.805 1.919 -6.087 630 HA ALA 82 HA ALA 82 -3.177 -0.571 -6.122 631 HB1 ALA 82 HB1 ALA 82 -2.515 0.582 -8.195 632 HB2 ALA 82 HB2 ALA 82 -1.841 -1.049 -8.134 633 HB3 ALA 82 HB3 ALA 82 -0.815 0.346 -7.792 634 H ARG 83 HN ARG 83 0.190 0.384 -5.322 635 HA ARG 83 HA ARG 83 1.328 -2.159 -4.931 636 HB2 ARG 83 HB2 ARG 83 2.010 0.447 -3.497 637 HB3 ARG 83 HB1 ARG 83 2.989 -1.011 -3.437 638 HG2 ARG 83 HG2 ARG 83 2.480 0.701 -5.890 639 HG3 ARG 83 HG1 ARG 83 3.963 0.646 -4.948 640 HD2 ARG 83 HD2 ARG 83 4.402 -0.670 -6.866 641 HD3 ARG 83 HD1 ARG 83 4.091 -1.844 -5.583 642 HE ARG 83 HE ARG 83 1.999 -1.049 -7.528 643 HH11 ARG 83 HH11 ARG 83 3.786 -3.596 -5.907 644 HH12 ARG 83 HH12 ARG 83 2.911 -4.871 -6.691 645 HH21 ARG 83 HH21 ARG 83 0.821 -2.741 -8.498 646 HH22 ARG 83 HH22 ARG 83 1.232 -4.386 -8.140 647 H ILE 84 HN ILE 84 -0.346 -0.005 -2.735 648 HA ILE 84 HA ILE 84 -0.108 -1.495 -0.336 649 HB ILE 84 HB ILE 84 -2.174 0.591 -1.179 650 HG12 ILE 84 HG12 ILE 84 0.293 1.067 0.557 651 HG13 ILE 84 HG11 ILE 84 0.349 1.221 -1.193 652 HG21 ILE 84 HG21 ILE 84 -1.508 -0.384 1.629 653 HG22 ILE 84 HG22 ILE 84 -3.016 -0.665 0.754 654 HG23 ILE 84 HG23 ILE 84 -2.572 0.969 1.246 655 HD11 ILE 84 HD11 ILE 84 -1.451 2.810 0.616 656 HD12 ILE 84 HD12 ILE 84 -1.260 3.008 -1.128 657 HD13 ILE 84 HD13 ILE 84 0.087 3.356 -0.044 658 H ASP 85 HN ASP 85 -2.619 -1.298 -2.851 659 HA ASP 85 HA ASP 85 -4.585 -2.893 -1.570 660 HB2 ASP 85 HB2 ASP 85 -5.052 -1.222 -3.388 661 HB3 ASP 85 HB1 ASP 85 -4.285 -2.298 -4.552 662 H GLU 86 HN GLU 86 -2.039 -3.635 -3.884 663 HA GLU 86 HA GLU 86 -2.580 -6.373 -4.349 664 HB2 GLU 86 HB2 GLU 86 0.062 -4.850 -4.431 665 HB3 GLU 86 HB1 GLU 86 -0.147 -6.493 -5.014 666 HG2 GLU 86 HG2 GLU 86 -1.596 -4.078 -6.140 667 HG3 GLU 86 HG1 GLU 86 -0.108 -4.743 -6.803 668 H LEU 87 HN LEU 87 -0.694 -4.651 -1.876 669 HA LEU 87 HA LEU 87 0.228 -6.996 -0.524 670 HB2 LEU 87 HB2 LEU 87 0.109 -4.086 0.347 671 HB3 LEU 87 HB1 LEU 87 0.790 -5.362 1.351 672 HG LEU 87 HG LEU 87 1.831 -4.545 -1.391 673 HD11 LEU 87 HD11 LEU 87 2.275 -2.828 0.278 674 HD12 LEU 87 HD12 LEU 87 3.766 -3.627 -0.208 675 HD13 LEU 87 HD13 LEU 87 3.021 -4.021 1.345 676 HD21 LEU 87 HD21 LEU 87 3.737 -6.048 -0.920 677 HD22 LEU 87 HD22 LEU 87 2.218 -6.933 -0.997 678 HD23 LEU 87 HD23 LEU 87 2.954 -6.587 0.570 679 H VAL 88 HN VAL 88 -2.729 -5.049 -0.284 680 HA VAL 88 HA VAL 88 -3.670 -6.049 2.206 681 HB VAL 88 HB VAL 88 -5.275 -4.951 -0.158 682 HG11 VAL 88 HG11 VAL 88 -6.750 -6.388 1.188 683 HG12 VAL 88 HG12 VAL 88 -7.182 -4.695 1.426 684 HG13 VAL 88 HG13 VAL 88 -6.257 -5.549 2.661 685 HG21 VAL 88 HG21 VAL 88 -3.759 -3.295 0.874 686 HG22 VAL 88 HG22 VAL 88 -4.441 -3.631 2.463 687 HG23 VAL 88 HG23 VAL 88 -5.438 -2.882 1.214 688 H ALA 89 HN ALA 89 -4.204 -7.098 -1.126 689 HA ALA 89 HA ALA 89 -5.792 -9.385 -0.605 690 HB1 ALA 89 HB1 ALA 89 -3.989 -8.848 -2.985 691 HB2 ALA 89 HB2 ALA 89 -5.665 -8.323 -2.823 692 HB3 ALA 89 HB3 ALA 89 -5.288 -10.045 -2.920 693 H ALA 90 HN ALA 90 -2.290 -8.955 -0.929 694 HA ALA 90 HA ALA 90 -1.516 -11.691 -0.858 695 HB1 ALA 90 HB1 ALA 90 0.767 -10.833 -0.583 696 HB2 ALA 90 HB2 ALA 90 0.137 -9.228 -0.198 697 HB3 ALA 90 HB3 ALA 90 -0.094 -9.902 -1.812 698 H LYS 91 HN LYS 91 -1.828 -9.199 1.619 699 HA LYS 91 HA LYS 91 -0.613 -10.647 3.769 700 HB2 LYS 91 HB2 LYS 91 -0.620 -8.201 3.752 701 HB3 LYS 91 HB1 LYS 91 -2.367 -8.157 3.724 702 HG2 LYS 91 HG2 LYS 91 -0.900 -9.345 6.086 703 HG3 LYS 91 HG1 LYS 91 -1.077 -7.599 5.934 704 HD2 LYS 91 HD2 LYS 91 -3.326 -9.644 6.144 705 HD3 LYS 91 HD1 LYS 91 -2.825 -8.505 7.392 706 HE2 LYS 91 HE2 LYS 91 -3.567 -6.618 6.004 707 HE3 LYS 91 HE1 LYS 91 -3.991 -7.726 4.694 708 HZ1 LYS 91 HZ1 LYS 91 -5.911 -7.047 6.003 709 HZ2 LYS 91 HZ2 LYS 91 -5.225 -7.721 7.390 710 HZ3 LYS 91 HZ3 LYS 91 -5.658 -8.713 6.092 711 H GLY 92 HN GLY 92 -3.947 -10.028 2.707 712 HA2 GLY 92 HA2 GLY 92 -5.203 -11.111 5.037 713 HA3 GLY 92 HA1 GLY 92 -5.976 -10.696 3.514 714 H ALA 93 HN ALA 93 -5.224 -12.210 1.653 715 HA ALA 93 HA ALA 93 -5.685 -14.191 0.669 716 HB1 ALA 93 HB1 ALA 93 -3.657 -15.178 2.709 717 HB2 ALA 93 HB2 ALA 93 -3.278 -14.408 1.166 718 HB3 ALA 93 HB3 ALA 93 -4.087 -15.976 1.197 719 H LEU 94 HN LEU 94 -7.886 -13.927 1.678 720 HA LEU 94 HA LEU 94 -8.532 -15.722 3.926 721 HB2 LEU 94 HB2 LEU 94 -10.201 -13.515 2.637 722 HB3 LEU 94 HB1 LEU 94 -10.616 -14.402 4.099 723 HG LEU 94 HG LEU 94 -8.253 -12.493 3.816 724 HD11 LEU 94 HD11 LEU 94 -9.522 -10.984 5.286 725 HD12 LEU 94 HD12 LEU 94 -10.897 -12.091 5.246 726 HD13 LEU 94 HD13 LEU 94 -10.366 -11.285 3.768 727 HD21 LEU 94 HD21 LEU 94 -7.743 -14.269 5.431 728 HD22 LEU 94 HD22 LEU 94 -9.251 -13.957 6.296 729 HD23 LEU 94 HD23 LEU 94 -7.981 -12.732 6.261 730 H GLU 95 HN GLU 95 -8.084 -16.457 1.020 731 HA GLU 95 HA GLU 95 -10.644 -17.215 -0.089 732 HB2 GLU 95 HB2 GLU 95 -7.866 -18.031 -1.071 733 HB3 GLU 95 HB1 GLU 95 -9.365 -18.012 -1.997 734 HG2 GLU 95 HG2 GLU 95 -7.863 -15.585 -0.956 735 HG3 GLU 95 HG1 GLU 95 -7.908 -16.153 -2.623 736 H HIS 96 HN HIS 96 -8.179 -18.630 1.873 737 HA HIS 96 HA HIS 96 -7.729 -20.602 2.811 738 HB2 HIS 96 HB2 HIS 96 -10.595 -21.376 2.084 739 HB3 HIS 96 HB1 HIS 96 -9.551 -22.294 3.164 740 HD1 HIS 96 HD1 HIS 96 -9.309 -21.465 5.561 741 HD2 HIS 96 HD2 HIS 96 -11.558 -18.911 3.179 742 HE1 HIS 96 HE1 HIS 96 -10.311 -19.798 7.141 743 HE2 HIS 96 HE2 HIS 96 -11.563 -18.188 5.658 744 H HIS 97 HN HIS 97 -9.863 -21.880 0.251 745 HA HIS 97 HA HIS 97 -9.541 -22.762 -1.775 746 HB2 HIS 97 HB2 HIS 97 -7.837 -21.065 -2.273 747 HB3 HIS 97 HB1 HIS 97 -6.596 -22.028 -1.477 748 HD1 HIS 97 HD1 HIS 97 -8.876 -22.138 -4.506 749 HD2 HIS 97 HD2 HIS 97 -5.334 -23.834 -3.155 750 HE1 HIS 97 HE1 HIS 97 -7.981 -23.452 -6.440 751 HE2 HIS 97 HE2 HIS 97 -5.974 -24.641 -5.524 752 H HIS 98 HN HIS 98 -7.473 -23.918 0.812 753 HA HIS 98 HA HIS 98 -6.653 -25.909 1.444 754 HB2 HIS 98 HB2 HIS 98 -8.497 -27.138 -0.662 755 HB3 HIS 98 HB1 HIS 98 -7.580 -28.052 0.532 756 HD1 HIS 98 HD1 HIS 98 -8.964 -28.732 2.447 757 HD2 HIS 98 HD2 HIS 98 -10.318 -25.160 0.815 758 HE1 HIS 98 HE1 HIS 98 -11.005 -28.125 3.772 759 HE2 HIS 98 HE2 HIS 98 -11.870 -26.017 2.700 760 H HIS 99 HN HIS 99 -4.526 -25.776 0.968 761 HA HIS 99 HA HIS 99 -3.474 -25.795 -1.705 762 HB2 HIS 99 HB2 HIS 99 -1.200 -25.905 -0.554 763 HB3 HIS 99 HB1 HIS 99 -2.201 -24.541 -0.094 764 HD1 HIS 99 HD1 HIS 99 -2.984 -24.399 2.358 765 HD2 HIS 99 HD2 HIS 99 -0.680 -27.766 1.549 766 HE1 HIS 99 HE1 HIS 99 -2.347 -25.335 4.600 767 HE2 HIS 99 HE2 HIS 99 -1.118 -27.467 4.081 768 H HIS 100 HN HIS 100 -3.805 -27.596 -2.869 769 HA HIS 100 HA HIS 100 -3.646 -30.279 -1.916 770 HB2 HIS 100 HB2 HIS 100 -4.890 -29.567 -3.994 771 HB3 HIS 100 HB1 HIS 100 -3.346 -29.289 -4.791 772 HD1 HIS 100 HD1 HIS 100 -5.791 -31.929 -3.976 773 HD2 HIS 100 HD2 HIS 100 -1.850 -31.754 -5.301 774 HE1 HIS 100 HE1 HIS 100 -5.257 -34.228 -4.827 775 HE2 HIS 100 HE2 HIS 100 -2.822 -34.144 -5.441 776 H HIS 101 HN HIS 101 -1.365 -28.071 -3.390 777 HA HIS 101 HA HIS 101 0.912 -29.827 -2.681 778 HB2 HIS 101 HB2 HIS 101 0.648 -29.628 -5.151 779 HB3 HIS 101 HB1 HIS 101 0.715 -27.876 -5.022 780 HD1 HIS 101 HD1 HIS 101 3.037 -26.819 -4.460 781 HD2 HIS 101 HD2 HIS 101 3.121 -30.925 -5.049 782 HE1 HIS 101 HE1 HIS 101 5.459 -27.398 -4.753 783 HE2 HIS 101 HE2 HIS 101 5.495 -29.905 -4.997 784 H282 PNS 102 H282 PNS 102 13.697 12.662 -1.694 785 H281 PNS 102 H281 PNS 102 15.239 11.827 -1.469 786 H303 PNS 102 H303 PNS 102 13.407 14.337 -3.565 787 H302 PNS 102 H302 PNS 102 14.647 14.500 -4.808 788 H301 PNS 102 H301 PNS 102 13.697 13.019 -4.702 789 H313 PNS 102 H313 PNS 102 15.855 11.666 -4.573 790 H312 PNS 102 H312 PNS 102 16.830 13.140 -4.627 791 H311 PNS 102 H311 PNS 102 17.031 11.997 -3.299 792 H32 PNS 102 H32 PNS 102 15.072 14.852 -1.716 793 H33 PNS 102 H33 PNS 102 17.360 14.472 -0.981 794 H36 PNS 102 H36 PNS 102 18.295 14.291 -3.091 795 H372 PNS 102 H372 PNS 102 18.320 16.129 -5.196 796 H371 PNS 102 H371 PNS 102 18.703 17.034 -3.732 797 H382 PNS 102 H382 PNS 102 20.785 16.438 -4.692 798 H381 PNS 102 H381 PNS 102 20.569 15.379 -3.301 799 H41 PNS 102 H41 PNS 102 19.619 13.127 -3.833 800 H422 PNS 102 H422 PNS 102 19.601 11.997 -6.404 801 H421 PNS 102 H421 PNS 102 21.240 11.829 -5.768 802 H431 PNS 102 H431 PNS 102 18.691 10.711 -4.588 803 H432 PNS 102 H432 PNS 102 20.248 10.694 -3.750 804 H44 PNS 102 H44 PNS 102 19.356 9.020 -6.573 Start of MODEL 7 1 H1 MET 1 HT1 MET 1 -15.289 8.173 -1.426 2 H2 MET 1 HT2 MET 1 -14.079 8.755 -0.417 3 H3 MET 1 HT3 MET 1 -15.389 9.739 -0.798 4 HA MET 1 HA MET 1 -15.617 8.933 1.399 5 HB2 MET 1 HB2 MET 1 -17.670 9.196 0.044 6 HB3 MET 1 HB1 MET 1 -17.529 7.538 -0.514 7 HG2 MET 1 HG2 MET 1 -17.896 6.725 1.786 8 HG3 MET 1 HG1 MET 1 -18.029 8.393 2.349 9 HE1 MET 1 HE1 MET 1 -21.405 9.572 0.765 10 HE2 MET 1 HE2 MET 1 -19.765 9.891 0.210 11 HE3 MET 1 HE3 MET 1 -20.139 9.947 1.938 12 H THR 2 HN THR 2 -15.146 6.278 -0.945 13 HA THR 2 HA THR 2 -13.662 4.736 0.979 14 HB THR 2 HB THR 2 -15.883 4.040 1.687 15 HG1 THR 2 HG1 THR 2 -15.650 1.688 0.887 16 HG21 THR 2 HG21 THR 2 -17.485 2.862 0.225 17 HG22 THR 2 HG22 THR 2 -16.431 3.127 -1.166 18 HG23 THR 2 HG23 THR 2 -17.198 4.501 -0.364 19 H SER 3 HN SER 3 -11.980 4.117 -0.143 20 HA SER 3 HA SER 3 -11.892 2.195 -2.156 21 HB2 SER 3 HB2 SER 3 -12.612 4.039 -3.722 22 HB3 SER 3 HB1 SER 3 -11.193 4.973 -3.256 23 HG SER 3 HG SER 3 -10.906 3.779 -5.206 24 H THR 4 HN THR 4 -9.428 2.064 -3.022 25 HA THR 4 HA THR 4 -7.783 2.094 -0.680 26 HB THR 4 HB THR 4 -6.758 1.763 -3.532 27 HG1 THR 4 HG1 THR 4 -7.055 -0.602 -2.440 28 HG21 THR 4 HG21 THR 4 -4.983 0.393 -2.460 29 HG22 THR 4 HG22 THR 4 -5.665 0.739 -0.872 30 HG23 THR 4 HG23 THR 4 -4.974 2.048 -1.828 31 H PHE 5 HN PHE 5 -7.534 3.957 -3.772 32 HA PHE 5 HA PHE 5 -5.566 5.779 -2.912 33 HB2 PHE 5 HB2 PHE 5 -5.943 5.689 -5.278 34 HB3 PHE 5 HB1 PHE 5 -7.666 5.999 -5.098 35 HD1 PHE 5 HD1 PHE 5 -4.339 7.649 -4.411 36 HD2 PHE 5 HD2 PHE 5 -8.453 8.210 -5.442 37 HE1 PHE 5 HE1 PHE 5 -3.989 10.076 -4.562 38 HE2 PHE 5 HE2 PHE 5 -8.072 10.636 -5.615 39 HZ PHE 5 HZ PHE 5 -5.840 11.564 -5.162 40 H ASP 6 HN ASP 6 -9.067 5.767 -2.467 41 HA ASP 6 HA ASP 6 -9.453 8.402 -1.578 42 HB2 ASP 6 HB2 ASP 6 -11.320 6.891 -2.114 43 HB3 ASP 6 HB1 ASP 6 -10.914 5.866 -0.748 44 H ARG 7 HN ARG 7 -8.654 5.448 0.224 45 HA ARG 7 HA ARG 7 -8.390 6.562 2.801 46 HB2 ARG 7 HB2 ARG 7 -6.986 4.172 1.559 47 HB3 ARG 7 HB1 ARG 7 -6.937 4.550 3.273 48 HG2 ARG 7 HG2 ARG 7 -9.429 3.864 1.694 49 HG3 ARG 7 HG1 ARG 7 -8.521 2.747 2.713 50 HD2 ARG 7 HD2 ARG 7 -9.021 4.258 4.672 51 HD3 ARG 7 HD1 ARG 7 -10.072 5.203 3.604 52 HE ARG 7 HE ARG 7 -10.572 2.322 3.834 53 HH11 ARG 7 HH11 ARG 7 -11.623 5.563 4.637 54 HH12 ARG 7 HH12 ARG 7 -13.150 5.037 5.258 55 HH21 ARG 7 HH21 ARG 7 -12.572 1.643 4.627 56 HH22 ARG 7 HH22 ARG 7 -13.692 2.806 5.247 57 H VAL 8 HN VAL 8 -5.996 6.036 0.198 58 HA VAL 8 HA VAL 8 -3.656 6.883 1.498 59 HB VAL 8 HB VAL 8 -4.362 7.006 -1.485 60 HG11 VAL 8 HG11 VAL 8 -1.600 7.183 -0.191 61 HG12 VAL 8 HG12 VAL 8 -2.428 8.496 -1.033 62 HG13 VAL 8 HG13 VAL 8 -1.915 7.062 -1.923 63 HG21 VAL 8 HG21 VAL 8 -2.854 4.893 0.096 64 HG22 VAL 8 HG22 VAL 8 -3.110 4.879 -1.652 65 HG23 VAL 8 HG23 VAL 8 -4.485 4.734 -0.555 66 H ALA 9 HN ALA 9 -6.005 8.692 -0.380 67 HA ALA 9 HA ALA 9 -4.676 11.184 -0.460 68 HB1 ALA 9 HB1 ALA 9 -6.810 12.024 -1.386 69 HB2 ALA 9 HB2 ALA 9 -7.605 10.508 -0.951 70 HB3 ALA 9 HB3 ALA 9 -6.323 10.517 -2.166 71 H THR 10 HN THR 10 -7.272 9.826 1.578 72 HA THR 10 HA THR 10 -7.776 11.979 3.284 73 HB THR 10 HB THR 10 -7.779 8.992 3.923 74 HG1 THR 10 HG1 THR 10 -9.453 9.064 2.657 75 HG21 THR 10 HG21 THR 10 -9.321 9.534 5.774 76 HG22 THR 10 HG22 THR 10 -9.137 11.255 5.434 77 HG23 THR 10 HG23 THR 10 -7.756 10.325 6.014 78 H ILE 11 HN ILE 11 -5.435 9.344 3.552 79 HA ILE 11 HA ILE 11 -4.231 9.961 5.968 80 HB ILE 11 HB ILE 11 -3.298 8.429 3.518 81 HG12 ILE 11 HG12 ILE 11 -3.894 7.484 6.361 82 HG13 ILE 11 HG11 ILE 11 -5.077 7.489 5.064 83 HG21 ILE 11 HG21 ILE 11 -1.312 7.606 4.786 84 HG22 ILE 11 HG22 ILE 11 -1.637 8.813 6.031 85 HG23 ILE 11 HG23 ILE 11 -1.215 9.325 4.397 86 HD11 ILE 11 HD11 ILE 11 -2.543 5.862 5.143 87 HD12 ILE 11 HD12 ILE 11 -3.724 5.857 3.832 88 HD13 ILE 11 HD13 ILE 11 -4.177 5.273 5.433 89 H ILE 12 HN ILE 12 -3.247 11.024 2.661 90 HA ILE 12 HA ILE 12 -0.905 12.370 3.565 91 HB ILE 12 HB ILE 12 -2.458 12.546 0.953 92 HG12 ILE 12 HG12 ILE 12 0.144 11.107 1.659 93 HG13 ILE 12 HG11 ILE 12 -1.420 10.329 1.445 94 HG21 ILE 12 HG21 ILE 12 -1.211 14.640 1.205 95 HG22 ILE 12 HG22 ILE 12 -0.464 13.639 -0.040 96 HG23 ILE 12 HG23 ILE 12 0.268 13.744 1.563 97 HD11 ILE 12 HD11 ILE 12 0.168 11.754 -0.691 98 HD12 ILE 12 HD12 ILE 12 -1.411 10.991 -0.916 99 HD13 ILE 12 HD13 ILE 12 -0.010 10.011 -0.486 100 H ALA 13 HN ALA 13 -4.203 13.465 2.790 101 HA ALA 13 HA ALA 13 -3.976 16.188 3.187 102 HB1 ALA 13 HB1 ALA 13 -6.397 16.177 3.619 103 HB2 ALA 13 HB2 ALA 13 -6.352 14.429 3.880 104 HB3 ALA 13 HB3 ALA 13 -5.984 15.095 2.288 105 H GLU 14 HN GLU 14 -4.810 13.752 5.681 106 HA GLU 14 HA GLU 14 -4.985 15.713 7.785 107 HB2 GLU 14 HB2 GLU 14 -4.971 12.677 8.030 108 HB3 GLU 14 HB1 GLU 14 -5.528 13.827 9.250 109 HG2 GLU 14 HG2 GLU 14 -6.813 13.219 6.563 110 HG3 GLU 14 HG1 GLU 14 -7.418 12.767 8.150 111 H THR 15 HN THR 15 -2.505 13.494 6.660 112 HA THR 15 HA THR 15 -0.904 13.557 9.075 113 HB THR 15 HB THR 15 -0.347 12.344 6.331 114 HG1 THR 15 HG1 THR 15 -1.474 10.727 7.073 115 HG21 THR 15 HG21 THR 15 1.419 11.026 7.435 116 HG22 THR 15 HG22 THR 15 1.180 11.939 8.924 117 HG23 THR 15 HG23 THR 15 1.785 12.755 7.481 118 H CYS 16 HN CYS 16 -0.415 14.699 5.688 119 HA CYS 16 HA CYS 16 2.073 16.052 6.508 120 HB2 CYS 16 HB2 CYS 16 2.213 14.378 4.663 121 HB3 CYS 16 HB1 CYS 16 1.068 15.319 3.714 122 HG CYS 16 HG CYS 16 3.880 16.879 4.759 123 H ASP 17 HN ASP 17 -1.128 16.818 6.184 124 HA ASP 17 HA ASP 17 -2.391 18.648 5.883 125 HB2 ASP 17 HB2 ASP 17 -0.825 19.516 7.651 126 HB3 ASP 17 HB1 ASP 17 0.193 20.193 6.383 127 H ILE 18 HN ILE 18 -1.827 17.487 3.610 128 HA ILE 18 HA ILE 18 -1.176 19.549 1.602 129 HB ILE 18 HB ILE 18 -1.530 16.535 1.291 130 HG12 ILE 18 HG12 ILE 18 0.553 17.107 2.504 131 HG13 ILE 18 HG11 ILE 18 0.910 16.436 0.921 132 HG21 ILE 18 HG21 ILE 18 -0.664 16.809 -1.007 133 HG22 ILE 18 HG22 ILE 18 -0.657 18.563 -0.801 134 HG23 ILE 18 HG23 ILE 18 -2.185 17.676 -0.778 135 HD11 ILE 18 HD11 ILE 18 2.395 18.267 1.453 136 HD12 ILE 18 HD12 ILE 18 1.030 19.360 1.670 137 HD13 ILE 18 HD13 ILE 18 1.382 18.689 0.074 138 HA PRO 19 HA PRO 19 -5.630 20.244 1.210 139 HB2 PRO 19 HB2 PRO 19 -4.941 21.062 -1.611 140 HB3 PRO 19 HB1 PRO 19 -5.880 21.923 -0.382 141 HG2 PRO 19 HG2 PRO 19 -3.388 22.676 -0.935 142 HG3 PRO 19 HG1 PRO 19 -3.974 22.672 0.745 143 HD2 PRO 19 HD2 PRO 19 -2.183 20.673 -0.645 144 HD3 PRO 19 HD1 PRO 19 -2.083 21.320 1.009 145 H ARG 20 HN ARG 20 -6.926 18.527 1.038 146 HA ARG 20 HA ARG 20 -6.571 16.193 -0.381 147 HB2 ARG 20 HB2 ARG 20 -8.141 16.444 1.512 148 HB3 ARG 20 HB1 ARG 20 -9.195 17.444 0.526 149 HG2 ARG 20 HG2 ARG 20 -10.140 15.223 0.714 150 HG3 ARG 20 HG1 ARG 20 -9.645 15.499 -0.958 151 HD2 ARG 20 HD2 ARG 20 -7.545 14.221 -0.492 152 HD3 ARG 20 HD1 ARG 20 -8.147 13.879 1.135 153 HE ARG 20 HE ARG 20 -9.122 12.770 -1.396 154 HH11 ARG 20 HH11 ARG 20 -9.570 12.955 2.085 155 HH12 ARG 20 HH12 ARG 20 -10.430 11.450 2.161 156 HH21 ARG 20 HH21 ARG 20 -10.292 10.849 -1.290 157 HH22 ARG 20 HH22 ARG 20 -10.866 10.275 0.242 158 H GLU 21 HN GLU 21 -8.136 19.145 -1.507 159 HA GLU 21 HA GLU 21 -9.348 18.077 -3.858 160 HB2 GLU 21 HB2 GLU 21 -9.723 20.443 -4.454 161 HB3 GLU 21 HB1 GLU 21 -10.192 20.100 -2.789 162 HG2 GLU 21 HG2 GLU 21 -8.117 21.122 -1.974 163 HG3 GLU 21 HG1 GLU 21 -7.603 21.439 -3.633 164 H THR 22 HN THR 22 -6.130 19.288 -3.131 165 HA THR 22 HA THR 22 -5.350 19.320 -5.962 166 HB THR 22 HB THR 22 -3.204 20.262 -5.203 167 HG1 THR 22 HG1 THR 22 -3.764 19.108 -2.913 168 HG21 THR 22 HG21 THR 22 -3.985 22.396 -4.237 169 HG22 THR 22 HG22 THR 22 -5.538 21.662 -3.832 170 HG23 THR 22 HG23 THR 22 -5.069 21.861 -5.524 171 H ILE 23 HN ILE 23 -5.815 16.919 -3.828 172 HA ILE 23 HA ILE 23 -3.392 15.357 -4.458 173 HB ILE 23 HB ILE 23 -5.735 14.779 -2.565 174 HG12 ILE 23 HG12 ILE 23 -2.822 15.427 -1.937 175 HG13 ILE 23 HG11 ILE 23 -4.169 16.542 -1.733 176 HG21 ILE 23 HG21 ILE 23 -4.865 12.670 -3.525 177 HG22 ILE 23 HG22 ILE 23 -4.491 12.795 -1.808 178 HG23 ILE 23 HG23 ILE 23 -3.235 13.109 -3.002 179 HD11 ILE 23 HD11 ILE 23 -5.116 15.021 -0.022 180 HD12 ILE 23 HD12 ILE 23 -3.508 15.618 0.386 181 HD13 ILE 23 HD13 ILE 23 -3.705 13.972 -0.213 182 H THR 24 HN THR 24 -3.760 14.920 -6.653 183 HA THR 24 HA THR 24 -6.218 13.495 -7.471 184 HB THR 24 HB THR 24 -5.364 13.760 -9.804 185 HG1 THR 24 HG1 THR 24 -3.039 14.103 -8.727 186 HG21 THR 24 HG21 THR 24 -5.635 16.205 -9.997 187 HG22 THR 24 HG22 THR 24 -5.382 16.375 -8.259 188 HG23 THR 24 HG23 THR 24 -6.807 15.525 -8.863 189 HA PRO 25 HA PRO 25 -4.285 9.405 -7.491 190 HB2 PRO 25 HB2 PRO 25 -5.203 9.056 -10.337 191 HB3 PRO 25 HB1 PRO 25 -5.496 8.031 -8.925 192 HG2 PRO 25 HG2 PRO 25 -7.436 9.583 -9.897 193 HG3 PRO 25 HG1 PRO 25 -7.239 9.381 -8.143 194 HD2 PRO 25 HD2 PRO 25 -6.433 11.702 -9.885 195 HD3 PRO 25 HD1 PRO 25 -7.146 11.705 -8.256 196 H GLU 26 HN GLU 26 -3.625 11.680 -10.039 197 HA GLU 26 HA GLU 26 -1.244 10.236 -10.993 198 HB2 GLU 26 HB2 GLU 26 -2.868 12.487 -12.268 199 HB3 GLU 26 HB1 GLU 26 -1.489 11.663 -13.010 200 HG2 GLU 26 HG2 GLU 26 -2.748 9.534 -12.971 201 HG3 GLU 26 HG1 GLU 26 -4.117 10.348 -12.218 202 H SER 27 HN SER 27 -1.744 12.126 -8.575 203 HA SER 27 HA SER 27 0.261 14.194 -8.931 204 HB2 SER 27 HB2 SER 27 -1.082 13.081 -6.421 205 HB3 SER 27 HB1 SER 27 0.043 14.440 -6.430 206 HG SER 27 HG SER 27 -1.409 15.596 -7.669 207 H HIS 28 HN HIS 28 2.403 13.957 -8.594 208 HA HIS 28 HA HIS 28 3.547 11.474 -7.538 209 HB2 HIS 28 HB2 HIS 28 4.496 12.757 -9.564 210 HB3 HIS 28 HB1 HIS 28 5.012 14.001 -8.426 211 HD2 HIS 28 HD2 HIS 28 6.128 10.637 -9.814 212 HE1 HIS 28 HE1 HIS 28 8.748 11.625 -6.652 213 HE2 HIS 28 HE2 HIS 28 8.455 10.276 -8.764 214 H ALA 29 HN ALA 29 3.957 11.334 -5.345 215 HA ALA 29 HA ALA 29 3.288 13.097 -3.415 216 HB1 ALA 29 HB1 ALA 29 3.768 10.713 -3.011 217 HB2 ALA 29 HB2 ALA 29 4.634 11.736 -1.864 218 HB3 ALA 29 HB3 ALA 29 5.495 11.013 -3.226 219 H ILE 30 HN ILE 30 6.499 12.897 -5.014 220 HA ILE 30 HA ILE 30 7.672 14.665 -2.975 221 HB ILE 30 HB ILE 30 9.093 13.366 -5.352 222 HG12 ILE 30 HG12 ILE 30 8.910 12.311 -2.488 223 HG13 ILE 30 HG11 ILE 30 8.101 11.601 -3.883 224 HG21 ILE 30 HG21 ILE 30 11.155 13.765 -4.034 225 HG22 ILE 30 HG22 ILE 30 10.202 14.533 -2.764 226 HG23 ILE 30 HG23 ILE 30 10.309 15.278 -4.361 227 HD11 ILE 30 HD11 ILE 30 11.092 11.788 -3.477 228 HD12 ILE 30 HD12 ILE 30 10.281 11.078 -4.876 229 HD13 ILE 30 HD13 ILE 30 10.090 10.351 -3.285 230 H ASP 31 HN ASP 31 6.942 14.489 -6.441 231 HA ASP 31 HA ASP 31 8.221 16.991 -7.136 232 HB2 ASP 31 HB2 ASP 31 8.310 15.151 -8.745 233 HB3 ASP 31 HB1 ASP 31 6.556 15.016 -8.763 234 H ASP 32 HN ASP 32 4.825 15.815 -7.150 235 HA ASP 32 HA ASP 32 3.813 18.405 -8.028 236 HB2 ASP 32 HB2 ASP 32 2.907 16.391 -9.085 237 HB3 ASP 32 HB1 ASP 32 2.438 15.731 -7.524 238 H LEU 33 HN LEU 33 3.105 16.169 -5.288 239 HA LEU 33 HA LEU 33 1.561 18.088 -3.831 240 HB2 LEU 33 HB2 LEU 33 2.776 15.462 -2.907 241 HB3 LEU 33 HB1 LEU 33 1.565 16.389 -2.028 242 HG LEU 33 HG LEU 33 1.155 14.988 -4.707 243 HD11 LEU 33 HD11 LEU 33 -0.335 13.516 -3.421 244 HD12 LEU 33 HD12 LEU 33 0.098 14.355 -1.929 245 HD13 LEU 33 HD13 LEU 33 1.321 13.444 -2.825 246 HD21 LEU 33 HD21 LEU 33 -0.196 17.038 -4.617 247 HD22 LEU 33 HD22 LEU 33 -0.843 16.572 -3.042 248 HD23 LEU 33 HD23 LEU 33 -1.228 15.615 -4.476 249 H GLY 34 HN GLY 34 4.927 17.579 -4.108 250 HA2 GLY 34 HA2 GLY 34 6.748 18.587 -3.138 251 HA3 GLY 34 HA1 GLY 34 5.631 19.742 -2.427 252 H ILE 35 HN ILE 35 5.552 16.296 -1.871 253 HA ILE 35 HA ILE 35 5.839 16.566 1.005 254 HB ILE 35 HB ILE 35 5.458 14.106 -0.776 255 HG12 ILE 35 HG12 ILE 35 3.440 15.488 1.040 256 HG13 ILE 35 HG11 ILE 35 3.518 15.707 -0.706 257 HG21 ILE 35 HG21 ILE 35 5.330 14.212 2.260 258 HG22 ILE 35 HG22 ILE 35 6.589 13.425 1.306 259 HG23 ILE 35 HG23 ILE 35 4.934 12.813 1.260 260 HD11 ILE 35 HD11 ILE 35 3.007 13.327 -1.012 261 HD12 ILE 35 HD12 ILE 35 1.760 14.178 -0.104 262 HD13 ILE 35 HD13 ILE 35 2.900 13.136 0.741 263 H ASP 36 HN ASP 36 7.535 15.618 2.201 264 HA ASP 36 HA ASP 36 10.074 15.143 0.749 265 HB2 ASP 36 HB2 ASP 36 10.110 17.206 2.110 266 HB3 ASP 36 HB1 ASP 36 9.564 16.313 3.521 267 H SER 37 HN SER 37 11.512 13.577 1.947 268 HA SER 37 HA SER 37 10.397 11.100 2.448 269 HB2 SER 37 HB2 SER 37 12.680 11.018 2.038 270 HB3 SER 37 HB1 SER 37 13.037 12.374 3.105 271 H LEU 38 HN LEU 38 11.373 13.535 4.883 272 HA LEU 38 HA LEU 38 10.826 12.026 7.178 273 HB2 LEU 38 HB2 LEU 38 10.938 15.007 6.699 274 HB3 LEU 38 HB1 LEU 38 10.493 14.386 8.275 275 HG LEU 38 HG LEU 38 12.814 14.955 8.346 276 HD11 LEU 38 HD11 LEU 38 13.868 12.855 8.993 277 HD12 LEU 38 HD12 LEU 38 12.599 11.942 8.172 278 HD13 LEU 38 HD13 LEU 38 12.208 12.940 9.576 279 HD21 LEU 38 HD21 LEU 38 13.286 13.194 5.922 280 HD22 LEU 38 HD22 LEU 38 14.532 14.017 6.868 281 HD23 LEU 38 HD23 LEU 38 13.347 14.959 5.967 282 H ASP 39 HN ASP 39 8.639 13.982 5.209 283 HA ASP 39 HA ASP 39 6.319 13.704 6.886 284 HB2 ASP 39 HB2 ASP 39 6.517 14.343 3.902 285 HB3 ASP 39 HB1 ASP 39 5.054 14.492 4.876 286 H PHE 40 HN PHE 40 7.571 12.006 4.007 287 HA PHE 40 HA PHE 40 5.259 10.427 3.501 288 HB2 PHE 40 HB2 PHE 40 7.038 11.017 1.787 289 HB3 PHE 40 HB1 PHE 40 8.110 9.858 2.564 290 HD1 PHE 40 HD1 PHE 40 5.001 10.234 0.577 291 HD2 PHE 40 HD2 PHE 40 7.831 7.454 2.195 292 HE1 PHE 40 HE1 PHE 40 4.050 8.445 -0.809 293 HE2 PHE 40 HE2 PHE 40 6.865 5.663 0.804 294 HZ PHE 40 HZ PHE 40 4.975 6.162 -0.708 295 H LEU 41 HN LEU 41 8.006 9.987 5.631 296 HA LEU 41 HA LEU 41 7.864 7.192 6.085 297 HB2 LEU 41 HB2 LEU 41 8.748 9.388 8.009 298 HB3 LEU 41 HB1 LEU 41 9.037 7.669 8.244 299 HG LEU 41 HG LEU 41 10.213 9.386 6.029 300 HD11 LEU 41 HD11 LEU 41 11.221 9.846 8.208 301 HD12 LEU 41 HD12 LEU 41 12.360 9.051 7.128 302 HD13 LEU 41 HD13 LEU 41 11.583 8.130 8.417 303 HD21 LEU 41 HD21 LEU 41 11.528 7.414 5.377 304 HD22 LEU 41 HD22 LEU 41 9.802 7.122 5.193 305 HD23 LEU 41 HD23 LEU 41 10.669 6.434 6.569 306 H ASP 42 HN ASP 42 6.319 9.963 7.722 307 HA ASP 42 HA ASP 42 4.789 8.323 9.541 308 HB2 ASP 42 HB2 ASP 42 5.587 10.680 10.078 309 HB3 ASP 42 HB1 ASP 42 4.357 11.285 8.976 310 H ILE 43 HN ILE 43 4.227 9.767 6.389 311 HA ILE 43 HA ILE 43 1.440 9.281 6.174 312 HB ILE 43 HB ILE 43 3.609 9.356 4.029 313 HG12 ILE 43 HG12 ILE 43 1.499 11.414 4.822 314 HG13 ILE 43 HG11 ILE 43 3.217 11.511 5.199 315 HG21 ILE 43 HG21 ILE 43 1.751 7.982 3.176 316 HG22 ILE 43 HG22 ILE 43 1.843 9.519 2.319 317 HG23 ILE 43 HG23 ILE 43 0.602 9.273 3.550 318 HD11 ILE 43 HD11 ILE 43 1.955 11.648 2.461 319 HD12 ILE 43 HD12 ILE 43 3.695 11.664 2.775 320 HD13 ILE 43 HD13 ILE 43 2.676 12.977 3.371 321 H ALA 44 HN ALA 44 4.305 7.215 5.720 322 HA ALA 44 HA ALA 44 2.824 4.959 4.670 323 HB1 ALA 44 HB1 ALA 44 5.026 3.840 4.687 324 HB2 ALA 44 HB2 ALA 44 5.722 5.213 5.556 325 HB3 ALA 44 HB3 ALA 44 5.124 5.423 3.908 326 H PHE 45 HN PHE 45 3.993 6.118 7.777 327 HA PHE 45 HA PHE 45 3.452 3.817 9.363 328 HB2 PHE 45 HB2 PHE 45 3.829 6.752 9.919 329 HB3 PHE 45 HB1 PHE 45 2.936 5.855 11.134 330 HD1 PHE 45 HD1 PHE 45 4.014 3.813 12.179 331 HD2 PHE 45 HD2 PHE 45 6.228 6.637 9.865 332 HE1 PHE 45 HE1 PHE 45 6.086 3.042 13.222 333 HE2 PHE 45 HE2 PHE 45 8.314 5.859 10.911 334 HZ PHE 45 HZ PHE 45 8.250 4.058 12.596 335 H ALA 46 HN ALA 46 1.460 6.561 8.303 336 HA ALA 46 HA ALA 46 -0.914 5.794 9.697 337 HB1 ALA 46 HB1 ALA 46 -0.535 8.099 8.950 338 HB2 ALA 46 HB2 ALA 46 -2.033 7.466 8.267 339 HB3 ALA 46 HB3 ALA 46 -0.584 7.584 7.262 340 H ILE 47 HN ILE 47 0.306 5.163 6.417 341 HA ILE 47 HA ILE 47 -1.904 3.724 5.380 342 HB ILE 47 HB ILE 47 1.062 3.709 4.687 343 HG12 ILE 47 HG12 ILE 47 -1.305 4.864 3.142 344 HG13 ILE 47 HG11 ILE 47 -0.278 5.803 4.216 345 HG21 ILE 47 HG21 ILE 47 0.514 2.487 2.605 346 HG22 ILE 47 HG22 ILE 47 -1.139 2.263 3.180 347 HG23 ILE 47 HG23 ILE 47 0.204 1.516 4.045 348 HD11 ILE 47 HD11 ILE 47 1.638 5.378 2.747 349 HD12 ILE 47 HD12 ILE 47 0.307 6.150 1.886 350 HD13 ILE 47 HD13 ILE 47 0.605 4.427 1.679 351 H ASP 48 HN ASP 48 1.006 2.714 7.106 352 HA ASP 48 HA ASP 48 0.844 -0.046 7.138 353 HB2 ASP 48 HB2 ASP 48 2.724 1.350 8.011 354 HB3 ASP 48 HB1 ASP 48 1.735 1.842 9.370 355 H LYS 49 HN LYS 49 -0.515 2.256 9.444 356 HA LYS 49 HA LYS 49 -1.759 0.354 11.167 357 HB2 LYS 49 HB2 LYS 49 -2.159 3.364 10.880 358 HB3 LYS 49 HB1 LYS 49 -2.749 2.402 12.236 359 HG2 LYS 49 HG2 LYS 49 -0.554 1.999 13.061 360 HG3 LYS 49 HG1 LYS 49 0.203 2.478 11.538 361 HD2 LYS 49 HD2 LYS 49 -0.494 4.819 11.939 362 HD3 LYS 49 HD1 LYS 49 -1.223 4.345 13.476 363 HE2 LYS 49 HE2 LYS 49 0.992 3.748 14.357 364 HE3 LYS 49 HE1 LYS 49 1.733 4.086 12.792 365 HZ1 LYS 49 HZ1 LYS 49 2.017 5.910 14.364 366 HZ2 LYS 49 HZ2 LYS 49 0.340 6.091 14.483 367 HZ3 LYS 49 HZ3 LYS 49 1.121 6.393 13.017 368 H ALA 50 HN ALA 50 -3.018 2.582 8.664 369 HA ALA 50 HA ALA 50 -5.746 2.142 8.944 370 HB1 ALA 50 HB1 ALA 50 -4.765 3.983 7.632 371 HB2 ALA 50 HB2 ALA 50 -5.983 3.105 6.708 372 HB3 ALA 50 HB3 ALA 50 -4.264 2.835 6.388 373 H PHE 51 HN PHE 51 -3.643 0.673 6.445 374 HA PHE 51 HA PHE 51 -5.766 -1.110 5.563 375 HB2 PHE 51 HB2 PHE 51 -2.892 -0.759 4.631 376 HB3 PHE 51 HB1 PHE 51 -4.077 -1.799 3.854 377 HD1 PHE 51 HD2 PHE 51 -3.103 1.721 4.484 378 HD2 PHE 51 HD1 PHE 51 -5.800 -0.879 2.414 379 HE1 PHE 51 HE2 PHE 51 -3.739 3.563 2.979 380 HE2 PHE 51 HE1 PHE 51 -6.426 0.971 0.923 381 HZ PHE 51 HZ PHE 51 -5.394 3.181 1.187 382 H GLY 52 HN GLY 52 -3.427 -1.288 7.999 383 HA2 GLY 52 HA2 GLY 52 -2.736 -2.977 9.381 384 HA3 GLY 52 HA1 GLY 52 -3.898 -4.028 8.580 385 H ILE 53 HN ILE 53 -1.246 -2.364 6.953 386 HA ILE 53 HA ILE 53 0.172 -4.927 6.489 387 HB ILE 53 HB ILE 53 0.684 -4.064 4.127 388 HG12 ILE 53 HG12 ILE 53 -1.301 -2.515 3.220 389 HG13 ILE 53 HG11 ILE 53 -1.428 -2.016 4.894 390 HG21 ILE 53 HG21 ILE 53 -0.840 -5.911 4.519 391 HG22 ILE 53 HG22 ILE 53 -1.399 -4.925 3.166 392 HG23 ILE 53 HG23 ILE 53 -2.187 -4.788 4.741 393 HD11 ILE 53 HD11 ILE 53 0.870 -1.200 4.829 394 HD12 ILE 53 HD12 ILE 53 -0.133 -0.455 3.584 395 HD13 ILE 53 HD13 ILE 53 1.008 -1.726 3.150 396 H LYS 54 HN LYS 54 2.378 -4.189 5.201 397 HA LYS 54 HA LYS 54 3.390 -1.645 6.240 398 HB2 LYS 54 HB2 LYS 54 4.075 -3.605 7.772 399 HB3 LYS 54 HB1 LYS 54 5.097 -4.165 6.448 400 HG2 LYS 54 HG2 LYS 54 6.422 -2.146 6.531 401 HG3 LYS 54 HG1 LYS 54 5.272 -1.382 7.634 402 HD2 LYS 54 HD2 LYS 54 5.870 -3.339 9.261 403 HD3 LYS 54 HD1 LYS 54 7.276 -3.583 8.218 404 HE2 LYS 54 HE2 LYS 54 7.807 -2.157 10.171 405 HE3 LYS 54 HE1 LYS 54 8.003 -1.261 8.664 406 HZ1 LYS 54 HZ1 LYS 54 5.790 -0.307 9.024 407 HZ2 LYS 54 HZ2 LYS 54 6.844 0.064 10.292 408 HZ3 LYS 54 HZ3 LYS 54 5.670 -1.134 10.492 409 H LEU 55 HN LEU 55 4.201 -0.523 4.589 410 HA LEU 55 HA LEU 55 4.775 -1.690 2.020 411 HB2 LEU 55 HB2 LEU 55 5.378 1.116 3.046 412 HB3 LEU 55 HB1 LEU 55 5.394 0.604 1.362 413 HG LEU 55 HG LEU 55 2.937 0.797 3.159 414 HD11 LEU 55 HD11 LEU 55 3.764 2.999 2.454 415 HD12 LEU 55 HD12 LEU 55 2.229 2.621 1.678 416 HD13 LEU 55 HD13 LEU 55 3.733 2.490 0.761 417 HD21 LEU 55 HD21 LEU 55 2.753 -1.093 1.557 418 HD22 LEU 55 HD22 LEU 55 3.048 0.022 0.219 419 HD23 LEU 55 HD23 LEU 55 1.601 0.193 1.217 420 HA PRO 56 HA PRO 56 9.196 -2.374 3.021 421 HB2 PRO 56 HB2 PRO 56 9.583 -2.958 0.131 422 HB3 PRO 56 HB1 PRO 56 9.796 -4.027 1.529 423 HG2 PRO 56 HG2 PRO 56 7.743 -4.344 -0.220 424 HG3 PRO 56 HG1 PRO 56 7.573 -4.709 1.511 425 HD2 PRO 56 HD2 PRO 56 6.695 -2.234 0.013 426 HD3 PRO 56 HD1 PRO 56 5.804 -3.197 1.215 427 H LEU 57 HN LEU 57 9.134 0.024 3.365 428 HA LEU 57 HA LEU 57 9.551 1.992 1.476 429 HB2 LEU 57 HB2 LEU 57 10.130 1.711 4.413 430 HB3 LEU 57 HB1 LEU 57 10.960 3.014 3.599 431 HG LEU 57 HG LEU 57 8.916 3.827 4.684 432 HD11 LEU 57 HD11 LEU 57 7.925 5.038 2.813 433 HD12 LEU 57 HD12 LEU 57 8.665 3.920 1.665 434 HD13 LEU 57 HD13 LEU 57 9.680 4.971 2.655 435 HD21 LEU 57 HD21 LEU 57 6.684 3.157 3.888 436 HD22 LEU 57 HD22 LEU 57 7.555 1.823 4.638 437 HD23 LEU 57 HD23 LEU 57 7.420 1.908 2.880 438 H GLU 58 HN GLU 58 12.012 0.219 3.329 439 HA GLU 58 HA GLU 58 14.299 1.478 2.354 440 HB2 GLU 58 HB2 GLU 58 14.288 0.022 4.361 441 HB3 GLU 58 HB1 GLU 58 13.936 -1.382 3.357 442 HG2 GLU 58 HG2 GLU 58 16.189 -0.764 2.158 443 HG3 GLU 58 HG1 GLU 58 16.491 0.187 3.612 444 H LYS 59 HN LYS 59 12.718 -1.530 1.258 445 HA LYS 59 HA LYS 59 14.518 -2.300 -0.742 446 HB2 LYS 59 HB2 LYS 59 12.638 -3.714 0.215 447 HB3 LYS 59 HB1 LYS 59 11.504 -2.783 -0.757 448 HG2 LYS 59 HG2 LYS 59 12.700 -3.572 -2.820 449 HG3 LYS 59 HG1 LYS 59 13.736 -4.566 -1.793 450 HD2 LYS 59 HD2 LYS 59 12.025 -6.014 -2.656 451 HD3 LYS 59 HD1 LYS 59 11.648 -5.738 -0.957 452 HE2 LYS 59 HE2 LYS 59 9.601 -5.624 -2.269 453 HE3 LYS 59 HE1 LYS 59 9.973 -4.017 -1.648 454 HZ1 LYS 59 HZ1 LYS 59 10.902 -3.443 -3.795 455 HZ2 LYS 59 HZ2 LYS 59 9.298 -3.947 -3.954 456 HZ3 LYS 59 HZ3 LYS 59 10.556 -4.987 -4.389 457 H TRP 60 HN TRP 60 11.479 -0.482 -1.004 458 HA TRP 60 HA TRP 60 11.487 0.045 -3.754 459 HB2 TRP 60 HB2 TRP 60 10.185 1.542 -1.439 460 HB3 TRP 60 HB1 TRP 60 9.895 1.950 -3.129 461 HD1 TRP 60 HD1 TRP 60 9.998 -1.667 -3.269 462 HE1 TRP 60 HE1 TRP 60 7.650 -2.687 -3.062 463 HE3 TRP 60 HE3 TRP 60 7.477 2.409 -1.446 464 HZ2 TRP 60 HZ2 TRP 60 5.091 -1.902 -2.261 465 HZ3 TRP 60 HZ3 TRP 60 5.067 2.181 -0.986 466 HH2 TRP 60 HH2 TRP 60 3.904 0.067 -1.387 467 H THR 61 HN THR 61 12.856 1.867 -1.038 468 HA THR 61 HA THR 61 13.570 4.231 -2.397 469 HB THR 61 HB THR 61 14.791 2.997 0.113 470 HG1 THR 61 HG1 THR 61 12.437 3.806 -0.107 471 HG21 THR 61 HG21 THR 61 16.353 4.666 -0.834 472 HG22 THR 61 HG22 THR 61 15.624 5.265 0.658 473 HG23 THR 61 HG23 THR 61 15.049 5.853 -0.904 474 H GLN 62 HN GLN 62 15.298 1.134 -1.912 475 HA GLN 62 HA GLN 62 17.833 2.080 -2.869 476 HB2 GLN 62 HB2 GLN 62 16.752 -0.735 -2.420 477 HB3 GLN 62 HB1 GLN 62 18.426 -0.376 -2.846 478 HG2 GLN 62 HG2 GLN 62 18.719 0.861 -0.752 479 HG3 GLN 62 HG1 GLN 62 17.033 0.606 -0.333 480 HE21 GLN 62 HE21 GLN 62 16.350 -1.487 0.274 481 HE22 GLN 62 HE22 GLN 62 17.472 -2.691 0.800 482 H GLU 63 HN GLU 63 15.115 0.221 -4.221 483 HA GLU 63 HA GLU 63 16.179 -0.384 -6.761 484 HB2 GLU 63 HB2 GLU 63 13.276 0.083 -5.935 485 HB3 GLU 63 HB1 GLU 63 13.769 -0.635 -7.472 486 HG2 GLU 63 HG2 GLU 63 14.738 -2.537 -6.329 487 HG3 GLU 63 HG1 GLU 63 14.445 -1.803 -4.756 488 H VAL 64 HN VAL 64 14.333 2.434 -5.641 489 HA VAL 64 HA VAL 64 14.184 3.897 -8.040 490 HB VAL 64 HB VAL 64 14.235 4.773 -5.125 491 HG11 VAL 64 HG11 VAL 64 13.450 7.016 -5.837 492 HG12 VAL 64 HG12 VAL 64 13.727 6.574 -7.526 493 HG13 VAL 64 HG13 VAL 64 15.089 6.685 -6.406 494 HG21 VAL 64 HG21 VAL 64 12.237 3.511 -5.844 495 HG22 VAL 64 HG22 VAL 64 11.963 4.670 -7.147 496 HG23 VAL 64 HG23 VAL 64 11.822 5.186 -5.464 497 H ASN 65 HN ASN 65 16.601 4.137 -5.400 498 HA ASN 65 HA ASN 65 18.373 5.942 -6.551 499 HB2 ASN 65 HB2 ASN 65 18.887 3.706 -4.549 500 HB3 ASN 65 HB1 ASN 65 20.083 4.939 -4.952 501 HD21 ASN 65 HD21 ASN 65 20.104 5.614 -2.777 502 HD22 ASN 65 HD22 ASN 65 18.820 6.547 -2.098 503 H ASP 66 HN ASP 66 18.202 2.430 -7.042 504 HA ASP 66 HA ASP 66 20.751 2.332 -8.474 505 HB2 ASP 66 HB2 ASP 66 18.723 0.174 -7.780 506 HB3 ASP 66 HB1 ASP 66 20.216 -0.138 -8.662 507 H GLY 67 HN GLY 67 17.833 3.396 -9.457 508 HA2 GLY 67 HA2 GLY 67 16.715 3.553 -11.441 509 HA3 GLY 67 HA1 GLY 67 18.200 3.045 -12.224 510 H LYS 68 HN LYS 68 16.926 0.808 -9.962 511 HA LYS 68 HA LYS 68 16.055 -1.105 -11.953 512 HB2 LYS 68 HB2 LYS 68 15.736 -1.119 -8.916 513 HB3 LYS 68 HB1 LYS 68 15.445 -2.493 -9.982 514 HG2 LYS 68 HG2 LYS 68 18.125 -1.139 -9.513 515 HG3 LYS 68 HG1 LYS 68 17.608 -2.671 -8.806 516 HD2 LYS 68 HD2 LYS 68 18.009 -2.141 -11.783 517 HD3 LYS 68 HD1 LYS 68 19.142 -2.991 -10.733 518 HE2 LYS 68 HE2 LYS 68 17.451 -4.755 -10.342 519 HE3 LYS 68 HE1 LYS 68 16.317 -3.906 -11.397 520 HZ1 LYS 68 HZ1 LYS 68 17.922 -4.181 -13.208 521 HZ2 LYS 68 HZ2 LYS 68 17.397 -5.659 -12.582 522 HZ3 LYS 68 HZ3 LYS 68 18.930 -5.072 -12.180 523 H ALA 69 HN ALA 69 14.658 1.364 -10.010 524 HA ALA 69 HA ALA 69 12.019 1.064 -11.259 525 HB1 ALA 69 HB1 ALA 69 10.908 1.431 -9.085 526 HB2 ALA 69 HB2 ALA 69 12.476 1.407 -8.267 527 HB3 ALA 69 HB3 ALA 69 11.867 -0.050 -9.057 528 H THR 70 HN THR 70 10.837 3.062 -11.260 529 HA THR 70 HA THR 70 12.433 5.509 -11.045 530 HB THR 70 HB THR 70 10.413 6.624 -12.061 531 HG1 THR 70 HG1 THR 70 9.018 4.593 -12.965 532 HG21 THR 70 HG21 THR 70 11.385 4.187 -13.615 533 HG22 THR 70 HG22 THR 70 12.173 5.769 -13.572 534 HG23 THR 70 HG23 THR 70 10.579 5.599 -14.306 535 H THR 71 HN THR 71 11.508 7.388 -9.939 536 HA THR 71 HA THR 71 10.495 7.001 -7.328 537 HB THR 71 HB THR 71 9.954 9.490 -7.419 538 HG1 THR 71 HG1 THR 71 11.003 10.426 -9.490 539 HG21 THR 71 HG21 THR 71 12.282 10.273 -7.632 540 HG22 THR 71 HG22 THR 71 12.724 8.752 -8.415 541 HG23 THR 71 HG23 THR 71 12.200 8.759 -6.729 542 H GLU 72 HN GLU 72 8.909 8.231 -10.283 543 HA GLU 72 HA GLU 72 6.294 8.366 -9.792 544 HB2 GLU 72 HB2 GLU 72 7.100 8.901 -11.942 545 HB3 GLU 72 HB1 GLU 72 7.841 7.334 -12.184 546 HG2 GLU 72 HG2 GLU 72 4.839 7.508 -12.060 547 HG3 GLU 72 HG1 GLU 72 5.655 8.094 -13.506 548 H GLN 73 HN GLN 73 7.960 5.298 -10.319 549 HA GLN 73 HA GLN 73 5.802 3.557 -10.537 550 HB2 GLN 73 HB2 GLN 73 8.123 2.904 -11.035 551 HB3 GLN 73 HB1 GLN 73 8.519 2.935 -9.318 552 HG2 GLN 73 HG2 GLN 73 6.925 1.077 -8.924 553 HG3 GLN 73 HG1 GLN 73 6.527 1.053 -10.641 554 HE21 GLN 73 HE21 GLN 73 7.668 -1.005 -8.881 555 HE22 GLN 73 HE22 GLN 73 9.134 -1.504 -9.635 556 H TYR 74 HN TYR 74 7.156 4.904 -7.574 557 HA TYR 74 HA TYR 74 5.249 3.280 -5.960 558 HB2 TYR 74 HB2 TYR 74 7.843 4.566 -4.996 559 HB3 TYR 74 HB1 TYR 74 6.795 3.493 -4.074 560 HD1 TYR 74 HD2 TYR 74 6.288 1.184 -5.574 561 HD2 TYR 74 HD1 TYR 74 9.853 3.529 -5.641 562 HE1 TYR 74 HE2 TYR 74 7.545 -0.760 -6.382 563 HE2 TYR 74 HE1 TYR 74 11.112 1.581 -6.450 564 HH TYR 74 HH TYR 74 10.935 -0.869 -6.448 565 H PHE 75 HN PHE 75 6.244 6.563 -6.745 566 HA PHE 75 HA PHE 75 4.990 7.648 -4.319 567 HB2 PHE 75 HB2 PHE 75 6.989 8.814 -6.290 568 HB3 PHE 75 HB1 PHE 75 6.187 9.799 -5.071 569 HD1 PHE 75 HD2 PHE 75 6.643 9.463 -2.656 570 HD2 PHE 75 HD1 PHE 75 8.791 7.264 -5.633 571 HE1 PHE 75 HE2 PHE 75 8.351 8.861 -0.992 572 HE2 PHE 75 HE1 PHE 75 10.489 6.659 -3.960 573 HZ PHE 75 HZ PHE 75 10.270 7.449 -1.633 574 H VAL 76 HN VAL 76 4.025 7.074 -7.492 575 HA VAL 76 HA VAL 76 2.376 9.530 -7.654 576 HB VAL 76 HB VAL 76 2.715 7.273 -9.685 577 HG11 VAL 76 HG11 VAL 76 0.904 9.716 -9.850 578 HG12 VAL 76 HG12 VAL 76 0.371 8.035 -9.739 579 HG13 VAL 76 HG13 VAL 76 1.224 8.596 -11.179 580 HG21 VAL 76 HG21 VAL 76 3.455 10.222 -9.833 581 HG22 VAL 76 HG22 VAL 76 3.693 9.029 -11.115 582 HG23 VAL 76 HG23 VAL 76 4.588 8.889 -9.602 583 H LEU 77 HN LEU 77 0.313 9.426 -7.001 584 HA LEU 77 HA LEU 77 -0.105 7.614 -4.921 585 HB2 LEU 77 HB2 LEU 77 -2.157 9.488 -6.107 586 HB3 LEU 77 HB1 LEU 77 -2.150 8.823 -4.477 587 HG LEU 77 HG LEU 77 -0.200 10.845 -5.631 588 HD11 LEU 77 HD11 LEU 77 -2.216 11.105 -3.404 589 HD12 LEU 77 HD12 LEU 77 -2.372 11.745 -5.043 590 HD13 LEU 77 HD13 LEU 77 -1.112 12.354 -3.984 591 HD21 LEU 77 HD21 LEU 77 -0.106 9.545 -2.883 592 HD22 LEU 77 HD22 LEU 77 0.863 10.931 -3.394 593 HD23 LEU 77 HD23 LEU 77 1.087 9.368 -4.177 594 H LYS 78 HN LYS 78 -1.326 7.402 -8.198 595 HA LYS 78 HA LYS 78 -3.389 5.452 -7.625 596 HB2 LYS 78 HB2 LYS 78 -3.489 5.134 -10.087 597 HB3 LYS 78 HB1 LYS 78 -3.583 6.834 -9.639 598 HG2 LYS 78 HG2 LYS 78 -1.206 7.134 -10.231 599 HG3 LYS 78 HG1 LYS 78 -1.103 5.426 -10.683 600 HD2 LYS 78 HD2 LYS 78 -2.768 5.807 -12.474 601 HD3 LYS 78 HD1 LYS 78 -2.884 7.511 -12.017 602 HE2 LYS 78 HE2 LYS 78 -0.505 7.829 -12.609 603 HE3 LYS 78 HE1 LYS 78 -0.373 6.125 -13.039 604 HZ1 LYS 78 HZ1 LYS 78 -2.004 6.494 -14.795 605 HZ2 LYS 78 HZ2 LYS 78 -0.653 7.497 -14.985 606 HZ3 LYS 78 HZ3 LYS 78 -2.096 8.133 -14.383 607 H ASN 79 HN ASN 79 -0.001 5.413 -8.603 608 HA ASN 79 HA ASN 79 0.312 2.582 -8.869 609 HB2 ASN 79 HB2 ASN 79 2.398 4.721 -8.224 610 HB3 ASN 79 HB1 ASN 79 2.772 3.043 -8.611 611 HD21 ASN 79 HD21 ASN 79 3.955 3.504 -10.418 612 HD22 ASN 79 HD22 ASN 79 3.286 4.177 -11.859 613 H LEU 80 HN LEU 80 1.020 4.912 -6.248 614 HA LEU 80 HA LEU 80 1.989 3.190 -4.310 615 HB2 LEU 80 HB2 LEU 80 2.151 5.668 -4.167 616 HB3 LEU 80 HB1 LEU 80 0.419 5.773 -3.913 617 HG LEU 80 HG LEU 80 0.665 4.586 -1.728 618 HD11 LEU 80 HD11 LEU 80 2.657 3.236 -2.181 619 HD12 LEU 80 HD12 LEU 80 2.891 4.215 -0.738 620 HD13 LEU 80 HD13 LEU 80 3.657 4.691 -2.256 621 HD21 LEU 80 HD21 LEU 80 0.684 7.044 -1.746 622 HD22 LEU 80 HD22 LEU 80 2.438 7.047 -1.962 623 HD23 LEU 80 HD23 LEU 80 1.730 6.415 -0.472 624 H ALA 81 HN ALA 81 -1.354 4.229 -4.987 625 HA ALA 81 HA ALA 81 -2.680 2.896 -2.900 626 HB1 ALA 81 HB1 ALA 81 -3.767 4.594 -4.303 627 HB2 ALA 81 HB2 ALA 81 -4.710 3.103 -4.289 628 HB3 ALA 81 HB3 ALA 81 -3.716 3.509 -5.692 629 H ALA 82 HN ALA 82 -1.819 1.795 -6.182 630 HA ALA 82 HA ALA 82 -3.040 -0.763 -6.019 631 HB1 ALA 82 HB1 ALA 82 -1.756 -1.260 -8.058 632 HB2 ALA 82 HB2 ALA 82 -0.793 0.205 -7.812 633 HB3 ALA 82 HB3 ALA 82 -2.521 0.329 -8.152 634 H ARG 83 HN ARG 83 0.166 0.446 -5.198 635 HA ARG 83 HA ARG 83 1.560 -1.984 -4.807 636 HB2 ARG 83 HB2 ARG 83 1.976 0.760 -3.548 637 HB3 ARG 83 HB1 ARG 83 3.112 -0.572 -3.393 638 HG2 ARG 83 HG2 ARG 83 2.375 0.331 -6.162 639 HG3 ARG 83 HG1 ARG 83 3.425 1.366 -5.198 640 HD2 ARG 83 HD2 ARG 83 4.819 -0.033 -6.556 641 HD3 ARG 83 HD1 ARG 83 4.976 -0.568 -4.887 642 HE ARG 83 HE ARG 83 3.034 -2.108 -6.334 643 HH11 ARG 83 HH11 ARG 83 6.472 -1.786 -5.670 644 HH12 ARG 83 HH12 ARG 83 6.850 -3.371 -6.256 645 HH21 ARG 83 HH21 ARG 83 3.573 -4.191 -7.088 646 HH22 ARG 83 HH22 ARG 83 5.222 -4.726 -7.028 647 H ILE 84 HN ILE 84 -0.167 0.164 -2.577 648 HA ILE 84 HA ILE 84 0.198 -1.281 -0.179 649 HB ILE 84 HB ILE 84 -2.125 0.536 -0.983 650 HG12 ILE 84 HG12 ILE 84 0.333 1.340 0.632 651 HG13 ILE 84 HG11 ILE 84 0.236 1.561 -1.108 652 HG21 ILE 84 HG21 ILE 84 -1.206 -0.300 1.791 653 HG22 ILE 84 HG22 ILE 84 -2.688 -0.819 0.984 654 HG23 ILE 84 HG23 ILE 84 -2.478 0.871 1.436 655 HD11 ILE 84 HD11 ILE 84 -0.256 3.602 0.094 656 HD12 ILE 84 HD12 ILE 84 -1.586 2.811 0.939 657 HD13 ILE 84 HD13 ILE 84 -1.667 3.053 -0.809 658 H ASP 85 HN ASP 85 -2.434 -1.184 -2.530 659 HA ASP 85 HA ASP 85 -4.305 -2.883 -1.372 660 HB2 ASP 85 HB2 ASP 85 -4.824 -1.351 -3.207 661 HB3 ASP 85 HB1 ASP 85 -3.756 -2.232 -4.298 662 H GLU 86 HN GLU 86 -1.758 -3.648 -3.722 663 HA GLU 86 HA GLU 86 -2.416 -6.412 -4.032 664 HB2 GLU 86 HB2 GLU 86 -0.466 -6.570 -5.400 665 HB3 GLU 86 HB1 GLU 86 -1.180 -5.004 -5.727 666 HG2 GLU 86 HG2 GLU 86 0.496 -3.946 -4.249 667 HG3 GLU 86 HG1 GLU 86 1.237 -5.517 -3.969 668 H LEU 87 HN LEU 87 -0.352 -4.608 -1.814 669 HA LEU 87 HA LEU 87 0.954 -6.910 -0.677 670 HB2 LEU 87 HB2 LEU 87 0.688 -4.041 0.273 671 HB3 LEU 87 HB1 LEU 87 1.559 -5.264 1.187 672 HG LEU 87 HG LEU 87 2.270 -4.378 -1.638 673 HD11 LEU 87 HD11 LEU 87 4.218 -3.290 -0.617 674 HD12 LEU 87 HD12 LEU 87 3.623 -3.716 0.992 675 HD13 LEU 87 HD13 LEU 87 2.704 -2.604 -0.028 676 HD21 LEU 87 HD21 LEU 87 2.902 -6.723 -1.220 677 HD22 LEU 87 HD22 LEU 87 3.770 -6.241 0.242 678 HD23 LEU 87 HD23 LEU 87 4.328 -5.691 -1.342 679 H VAL 88 HN VAL 88 -2.040 -5.164 -0.006 680 HA VAL 88 HA VAL 88 -2.705 -6.481 2.460 681 HB VAL 88 HB VAL 88 -4.651 -5.299 0.398 682 HG11 VAL 88 HG11 VAL 88 -5.772 -6.815 1.988 683 HG12 VAL 88 HG12 VAL 88 -6.236 -5.146 2.323 684 HG13 VAL 88 HG13 VAL 88 -5.050 -5.955 3.353 685 HG21 VAL 88 HG21 VAL 88 -3.050 -3.568 1.176 686 HG22 VAL 88 HG22 VAL 88 -3.451 -3.938 2.849 687 HG23 VAL 88 HG23 VAL 88 -4.674 -3.243 1.786 688 H ALA 89 HN ALA 89 -3.171 -7.112 -0.962 689 HA ALA 89 HA ALA 89 -4.785 -9.475 -0.673 690 HB1 ALA 89 HB1 ALA 89 -4.522 -9.639 -3.119 691 HB2 ALA 89 HB2 ALA 89 -3.295 -8.369 -3.082 692 HB3 ALA 89 HB3 ALA 89 -4.964 -7.995 -2.641 693 H ALA 90 HN ALA 90 -1.322 -8.762 -1.028 694 HA ALA 90 HA ALA 90 -0.425 -11.421 -1.489 695 HB1 ALA 90 HB1 ALA 90 1.097 -9.099 -0.262 696 HB2 ALA 90 HB2 ALA 90 0.977 -9.460 -1.985 697 HB3 ALA 90 HB3 ALA 90 1.815 -10.582 -0.909 698 H LYS 91 HN LYS 91 -1.254 -9.639 1.383 699 HA LYS 91 HA LYS 91 -0.282 -11.689 3.232 700 HB2 LYS 91 HB2 LYS 91 -0.075 -9.209 3.692 701 HB3 LYS 91 HB1 LYS 91 -1.830 -9.127 3.794 702 HG2 LYS 91 HG2 LYS 91 -1.784 -10.677 5.731 703 HG3 LYS 91 HG1 LYS 91 -0.023 -10.742 5.625 704 HD2 LYS 91 HD2 LYS 91 -0.674 -9.187 7.394 705 HD3 LYS 91 HD1 LYS 91 0.072 -8.289 6.072 706 HE2 LYS 91 HE2 LYS 91 -1.902 -7.104 6.901 707 HE3 LYS 91 HE1 LYS 91 -2.172 -7.645 5.248 708 HZ1 LYS 91 HZ1 LYS 91 -4.077 -8.010 6.716 709 HZ2 LYS 91 HZ2 LYS 91 -3.155 -9.060 7.662 710 HZ3 LYS 91 HZ3 LYS 91 -3.499 -9.451 6.056 711 H GLY 92 HN GLY 92 -3.145 -10.928 1.478 712 HA2 GLY 92 HA2 GLY 92 -5.015 -12.098 3.421 713 HA3 GLY 92 HA1 GLY 92 -5.428 -11.176 1.995 714 H ALA 93 HN ALA 93 -4.281 -12.474 -0.079 715 HA ALA 93 HA ALA 93 -4.711 -15.138 -0.465 716 HB1 ALA 93 HB1 ALA 93 -7.072 -15.316 -1.185 717 HB2 ALA 93 HB2 ALA 93 -7.349 -13.636 -0.726 718 HB3 ALA 93 HB3 ALA 93 -6.970 -14.838 0.508 719 H LEU 94 HN LEU 94 -3.804 -15.392 -2.492 720 HA LEU 94 HA LEU 94 -4.465 -13.472 -4.658 721 HB2 LEU 94 HB2 LEU 94 -1.750 -14.714 -4.010 722 HB3 LEU 94 HB1 LEU 94 -2.091 -13.909 -5.533 723 HG LEU 94 HG LEU 94 -2.118 -12.571 -2.800 724 HD11 LEU 94 HD11 LEU 94 0.152 -13.166 -3.501 725 HD12 LEU 94 HD12 LEU 94 -0.089 -11.421 -3.527 726 HD13 LEU 94 HD13 LEU 94 -0.087 -12.333 -5.040 727 HD21 LEU 94 HD21 LEU 94 -3.724 -11.512 -4.327 728 HD22 LEU 94 HD22 LEU 94 -2.464 -11.325 -5.548 729 HD23 LEU 94 HD23 LEU 94 -2.350 -10.453 -4.019 730 H GLU 95 HN GLU 95 -5.827 -15.909 -4.201 731 HA GLU 95 HA GLU 95 -4.990 -17.665 -6.392 732 HB2 GLU 95 HB2 GLU 95 -6.819 -19.137 -5.758 733 HB3 GLU 95 HB1 GLU 95 -5.935 -18.683 -4.312 734 HG2 GLU 95 HG2 GLU 95 -8.526 -17.365 -5.151 735 HG3 GLU 95 HG1 GLU 95 -8.470 -18.786 -4.107 736 H HIS 96 HN HIS 96 -5.587 -17.273 -8.445 737 HA HIS 96 HA HIS 96 -8.195 -16.683 -9.374 738 HB2 HIS 96 HB2 HIS 96 -8.002 -14.393 -10.169 739 HB3 HIS 96 HB1 HIS 96 -7.624 -14.379 -8.456 740 HD1 HIS 96 HD1 HIS 96 -6.515 -12.891 -11.432 741 HD2 HIS 96 HD2 HIS 96 -4.534 -14.622 -8.216 742 HE1 HIS 96 HE1 HIS 96 -4.163 -12.016 -11.541 743 HE2 HIS 96 HE2 HIS 96 -2.940 -13.271 -9.742 744 H HIS 97 HN HIS 97 -5.500 -18.171 -9.808 745 HA HIS 97 HA HIS 97 -4.166 -19.034 -11.400 746 HB2 HIS 97 HB2 HIS 97 -6.243 -19.046 -12.888 747 HB3 HIS 97 HB1 HIS 97 -5.726 -17.493 -13.524 748 HD1 HIS 97 HD1 HIS 97 -4.720 -21.136 -13.468 749 HD2 HIS 97 HD2 HIS 97 -3.851 -17.657 -15.575 750 HE1 HIS 97 HE1 HIS 97 -3.307 -21.864 -15.411 751 HE2 HIS 97 HE2 HIS 97 -2.859 -19.755 -16.717 752 H HIS 98 HN HIS 98 -2.420 -18.319 -12.974 753 HA HIS 98 HA HIS 98 -0.701 -17.021 -13.653 754 HB2 HIS 98 HB2 HIS 98 -2.186 -14.947 -13.616 755 HB3 HIS 98 HB1 HIS 98 -1.629 -14.656 -11.976 756 HD1 HIS 98 HD1 HIS 98 -0.681 -14.204 -15.522 757 HD2 HIS 98 HD2 HIS 98 1.191 -13.954 -11.823 758 HE1 HIS 98 HE1 HIS 98 1.459 -12.959 -15.928 759 HE2 HIS 98 HE2 HIS 98 2.448 -12.623 -13.647 760 H HIS 99 HN HIS 99 -1.671 -17.004 -10.276 761 HA HIS 99 HA HIS 99 -0.816 -18.136 -8.541 762 HB2 HIS 99 HB2 HIS 99 -0.056 -19.864 -10.115 763 HB3 HIS 99 HB1 HIS 99 1.418 -18.964 -10.428 764 HD1 HIS 99 HD1 HIS 99 -0.241 -21.117 -7.835 765 HD2 HIS 99 HD2 HIS 99 3.447 -19.336 -8.540 766 HE1 HIS 99 HE1 HIS 99 1.334 -22.151 -6.177 767 HE2 HIS 99 HE2 HIS 99 3.495 -20.895 -6.485 768 H HIS 100 HN HIS 100 -0.350 -16.650 -7.030 769 HA HIS 100 HA HIS 100 2.477 -16.041 -6.581 770 HB2 HIS 100 HB2 HIS 100 0.312 -13.891 -6.664 771 HB3 HIS 100 HB1 HIS 100 1.808 -13.673 -5.767 772 HD1 HIS 100 HD1 HIS 100 0.431 -12.672 -8.812 773 HD2 HIS 100 HD2 HIS 100 4.127 -14.249 -7.741 774 HE1 HIS 100 HE1 HIS 100 2.005 -12.019 -10.660 775 HE2 HIS 100 HE2 HIS 100 4.225 -12.998 -10.000 776 H HIS 101 HN HIS 101 2.816 -15.295 -4.338 777 HA HIS 101 HA HIS 101 2.901 -15.818 -2.180 778 HB2 HIS 101 HB2 HIS 101 0.951 -14.268 -2.047 779 HB3 HIS 101 HB1 HIS 101 -0.143 -15.640 -2.237 780 HD1 HIS 101 HD1 HIS 101 2.143 -14.002 0.257 781 HD2 HIS 101 HD2 HIS 101 -0.472 -17.218 0.102 782 HE1 HIS 101 HE1 HIS 101 1.885 -14.774 2.627 783 HE2 HIS 101 HE2 HIS 101 0.438 -16.820 2.476 784 H282 PNS 102 H282 PNS 102 15.027 12.244 5.076 785 H281 PNS 102 H281 PNS 102 16.627 11.511 4.969 786 H303 PNS 102 H303 PNS 102 17.906 13.625 5.022 787 H302 PNS 102 H302 PNS 102 17.414 15.015 4.055 788 H301 PNS 102 H301 PNS 102 16.375 14.438 5.361 789 H313 PNS 102 H313 PNS 102 14.578 13.267 2.291 790 H312 PNS 102 H312 PNS 102 14.427 14.223 3.767 791 H311 PNS 102 H311 PNS 102 15.434 14.803 2.438 792 H32 PNS 102 H32 PNS 102 18.147 12.136 2.884 793 H33 PNS 102 H33 PNS 102 16.592 10.966 1.862 794 H36 PNS 102 H36 PNS 102 16.242 14.107 0.611 795 H372 PNS 102 H372 PNS 102 16.621 16.014 -0.589 796 H371 PNS 102 H371 PNS 102 17.975 16.392 0.474 797 H382 PNS 102 H382 PNS 102 19.441 14.940 -0.792 798 H381 PNS 102 H381 PNS 102 18.096 14.361 -1.774 799 H41 PNS 102 H41 PNS 102 19.530 17.532 -0.817 800 H422 PNS 102 H422 PNS 102 20.322 18.318 -3.414 801 H421 PNS 102 H421 PNS 102 18.731 19.014 -3.067 802 H431 PNS 102 H431 PNS 102 19.630 20.099 -1.057 803 H432 PNS 102 H432 PNS 102 20.560 20.571 -2.487 804 H44 PNS 102 H44 PNS 102 22.084 17.967 -1.441 Start of MODEL 8 1 H1 MET 1 HT1 MET 1 -16.759 -2.484 -2.825 2 H2 MET 1 HT2 MET 1 -15.714 -2.936 -1.575 3 H3 MET 1 HT3 MET 1 -15.084 -2.401 -3.050 4 HA MET 1 HA MET 1 -15.942 -0.225 -2.713 5 HB2 MET 1 HB2 MET 1 -17.959 -1.107 -1.401 6 HB3 MET 1 HB1 MET 1 -16.918 -1.189 0.009 7 HG2 MET 1 HG2 MET 1 -16.572 1.262 -0.138 8 HG3 MET 1 HG1 MET 1 -17.666 1.319 -1.523 9 HE1 MET 1 HE1 MET 1 -19.186 3.148 -0.343 10 HE2 MET 1 HE2 MET 1 -18.085 3.157 1.036 11 HE3 MET 1 HE3 MET 1 -19.822 2.985 1.294 12 H THR 2 HN THR 2 -13.636 -2.207 -1.907 13 HA THR 2 HA THR 2 -12.216 -0.907 0.225 14 HB THR 2 HB THR 2 -11.043 -2.736 -1.937 15 HG1 THR 2 HG1 THR 2 -11.857 -3.704 0.587 16 HG21 THR 2 HG21 THR 2 -10.120 -2.217 0.925 17 HG22 THR 2 HG22 THR 2 -9.339 -1.592 -0.529 18 HG23 THR 2 HG23 THR 2 -9.364 -3.328 -0.227 19 H SER 3 HN SER 3 -12.433 1.305 -0.520 20 HA SER 3 HA SER 3 -11.187 2.149 -3.005 21 HB2 SER 3 HB2 SER 3 -11.948 4.438 -2.228 22 HB3 SER 3 HB1 SER 3 -13.249 3.257 -2.368 23 HG SER 3 HG SER 3 -11.910 3.806 0.070 24 H THR 4 HN THR 4 -9.080 1.310 -2.428 25 HA THR 4 HA THR 4 -7.613 2.058 -0.145 26 HB THR 4 HB THR 4 -6.667 0.961 -2.815 27 HG1 THR 4 HG1 THR 4 -6.837 -0.994 -1.745 28 HG21 THR 4 HG21 THR 4 -4.611 0.237 -1.597 29 HG22 THR 4 HG22 THR 4 -5.127 1.174 -0.193 30 HG23 THR 4 HG23 THR 4 -4.727 1.994 -1.704 31 H PHE 5 HN PHE 5 -7.657 3.475 -3.462 32 HA PHE 5 HA PHE 5 -5.621 5.390 -3.050 33 HB2 PHE 5 HB2 PHE 5 -6.301 5.218 -5.326 34 HB3 PHE 5 HB1 PHE 5 -8.007 5.398 -4.934 35 HD1 PHE 5 HD1 PHE 5 -4.773 7.343 -4.791 36 HD2 PHE 5 HD2 PHE 5 -9.030 7.519 -5.255 37 HE1 PHE 5 HE1 PHE 5 -4.648 9.776 -5.114 38 HE2 PHE 5 HE2 PHE 5 -8.888 9.952 -5.586 39 HZ PHE 5 HZ PHE 5 -6.700 11.082 -5.502 40 H ASP 6 HN ASP 6 -9.130 5.616 -2.442 41 HA ASP 6 HA ASP 6 -9.303 8.283 -1.584 42 HB2 ASP 6 HB2 ASP 6 -11.330 7.020 -2.049 43 HB3 ASP 6 HB1 ASP 6 -10.949 5.844 -0.799 44 H ARG 7 HN ARG 7 -8.702 5.326 0.288 45 HA ARG 7 HA ARG 7 -8.605 6.475 2.868 46 HB2 ARG 7 HB2 ARG 7 -7.207 3.972 1.844 47 HB3 ARG 7 HB1 ARG 7 -7.440 4.377 3.540 48 HG2 ARG 7 HG2 ARG 7 -9.673 3.839 1.562 49 HG3 ARG 7 HG1 ARG 7 -9.012 2.647 2.676 50 HD2 ARG 7 HD2 ARG 7 -11.040 3.459 3.644 51 HD3 ARG 7 HD1 ARG 7 -9.719 4.163 4.575 52 HE ARG 7 HE ARG 7 -10.971 5.742 2.420 53 HH11 ARG 7 HH11 ARG 7 -10.479 5.259 5.869 54 HH12 ARG 7 HH12 ARG 7 -11.036 6.844 6.283 55 HH21 ARG 7 HH21 ARG 7 -11.677 7.816 2.985 56 HH22 ARG 7 HH22 ARG 7 -11.719 8.292 4.657 57 H VAL 8 HN VAL 8 -5.969 5.525 0.663 58 HA VAL 8 HA VAL 8 -3.761 6.478 2.109 59 HB VAL 8 HB VAL 8 -4.141 6.098 -0.898 60 HG11 VAL 8 HG11 VAL 8 -2.256 7.661 -0.562 61 HG12 VAL 8 HG12 VAL 8 -1.669 6.097 -1.129 62 HG13 VAL 8 HG13 VAL 8 -1.505 6.536 0.573 63 HG21 VAL 8 HG21 VAL 8 -2.789 4.321 1.167 64 HG22 VAL 8 HG22 VAL 8 -2.929 3.981 -0.562 65 HG23 VAL 8 HG23 VAL 8 -4.376 4.045 0.443 66 H ALA 9 HN ALA 9 -5.903 8.105 -0.154 67 HA ALA 9 HA ALA 9 -4.464 10.484 -0.607 68 HB1 ALA 9 HB1 ALA 9 -6.640 11.337 -1.460 69 HB2 ALA 9 HB2 ALA 9 -7.444 9.910 -0.799 70 HB3 ALA 9 HB3 ALA 9 -6.260 9.736 -2.094 71 H THR 10 HN THR 10 -7.147 9.679 1.617 72 HA THR 10 HA THR 10 -7.283 12.168 2.950 73 HB THR 10 HB THR 10 -8.016 9.474 4.192 74 HG1 THR 10 HG1 THR 10 -10.082 9.841 3.230 75 HG21 THR 10 HG21 THR 10 -8.113 11.413 5.758 76 HG22 THR 10 HG22 THR 10 -9.722 10.774 5.420 77 HG23 THR 10 HG23 THR 10 -9.184 12.259 4.634 78 H ILE 11 HN ILE 11 -5.411 9.203 3.575 79 HA ILE 11 HA ILE 11 -4.235 9.846 6.036 80 HB ILE 11 HB ILE 11 -3.365 8.066 3.733 81 HG12 ILE 11 HG12 ILE 11 -4.214 7.383 6.581 82 HG13 ILE 11 HG11 ILE 11 -5.293 7.374 5.194 83 HG21 ILE 11 HG21 ILE 11 -1.804 8.427 6.307 84 HG22 ILE 11 HG22 ILE 11 -1.246 8.802 4.675 85 HG23 ILE 11 HG23 ILE 11 -1.543 7.129 5.143 86 HD11 ILE 11 HD11 ILE 11 -4.002 5.557 4.194 87 HD12 ILE 11 HD12 ILE 11 -4.598 5.135 5.797 88 HD13 ILE 11 HD13 ILE 11 -2.905 5.567 5.577 89 H ILE 12 HN ILE 12 -3.106 10.575 2.709 90 HA ILE 12 HA ILE 12 -0.626 11.770 3.484 91 HB ILE 12 HB ILE 12 -2.254 11.899 0.899 92 HG12 ILE 12 HG12 ILE 12 0.247 10.301 1.607 93 HG13 ILE 12 HG11 ILE 12 -1.378 9.645 1.493 94 HG21 ILE 12 HG21 ILE 12 0.583 12.892 1.335 95 HG22 ILE 12 HG22 ILE 12 -0.830 13.894 0.994 96 HG23 ILE 12 HG23 ILE 12 -0.229 12.772 -0.227 97 HD11 ILE 12 HD11 ILE 12 0.233 10.796 -0.779 98 HD12 ILE 12 HD12 ILE 12 -1.409 10.159 -0.900 99 HD13 ILE 12 HD13 ILE 12 -0.078 9.092 -0.460 100 H ALA 13 HN ALA 13 -3.830 13.005 2.622 101 HA ALA 13 HA ALA 13 -3.474 15.736 2.858 102 HB1 ALA 13 HB1 ALA 13 -5.949 14.130 3.577 103 HB2 ALA 13 HB2 ALA 13 -5.498 14.664 1.956 104 HB3 ALA 13 HB3 ALA 13 -5.900 15.854 3.193 105 H GLU 14 HN GLU 14 -4.241 13.418 5.435 106 HA GLU 14 HA GLU 14 -4.492 15.419 7.504 107 HB2 GLU 14 HB2 GLU 14 -4.302 12.385 7.668 108 HB3 GLU 14 HB1 GLU 14 -4.666 13.437 9.034 109 HG2 GLU 14 HG2 GLU 14 -6.372 13.105 6.546 110 HG3 GLU 14 HG1 GLU 14 -6.681 12.354 8.109 111 H THR 15 HN THR 15 -1.940 13.212 6.412 112 HA THR 15 HA THR 15 -0.335 13.399 8.803 113 HB THR 15 HB THR 15 0.308 12.178 6.081 114 HG1 THR 15 HG1 THR 15 -0.821 10.563 6.829 115 HG21 THR 15 HG21 THR 15 2.405 12.705 7.289 116 HG22 THR 15 HG22 THR 15 2.128 10.964 7.223 117 HG23 THR 15 HG23 THR 15 1.801 11.851 8.713 118 H CYS 16 HN CYS 16 0.059 14.573 5.415 119 HA CYS 16 HA CYS 16 2.361 16.242 6.255 120 HB2 CYS 16 HB2 CYS 16 1.642 15.129 3.500 121 HB3 CYS 16 HB1 CYS 16 3.011 16.197 3.836 122 HG CYS 16 HG CYS 16 4.010 14.275 5.788 123 H ASP 17 HN ASP 17 -0.776 16.646 6.062 124 HA ASP 17 HA ASP 17 -2.281 18.248 5.613 125 HB2 ASP 17 HB2 ASP 17 -0.925 19.460 7.297 126 HB3 ASP 17 HB1 ASP 17 0.121 20.090 6.025 127 H ILE 18 HN ILE 18 -1.988 17.108 3.409 128 HA ILE 18 HA ILE 18 -1.322 18.989 1.244 129 HB ILE 18 HB ILE 18 -2.108 16.039 1.071 130 HG12 ILE 18 HG12 ILE 18 0.041 16.288 2.271 131 HG13 ILE 18 HG11 ILE 18 0.292 15.564 0.691 132 HG21 ILE 18 HG21 ILE 18 -1.246 16.139 -1.248 133 HG22 ILE 18 HG22 ILE 18 -0.944 17.869 -1.068 134 HG23 ILE 18 HG23 ILE 18 -2.595 17.251 -1.008 135 HD11 ILE 18 HD11 ILE 18 2.034 17.130 1.223 136 HD12 ILE 18 HD12 ILE 18 0.864 18.427 1.438 137 HD13 ILE 18 HD13 ILE 18 1.108 17.710 -0.160 138 HA PRO 19 HA PRO 19 -5.750 20.043 1.019 139 HB2 PRO 19 HB2 PRO 19 -5.039 20.926 -1.775 140 HB3 PRO 19 HB1 PRO 19 -5.845 21.825 -0.480 141 HG2 PRO 19 HG2 PRO 19 -3.305 22.356 -1.114 142 HG3 PRO 19 HG1 PRO 19 -3.834 22.365 0.582 143 HD2 PRO 19 HD2 PRO 19 -2.314 20.224 -0.910 144 HD3 PRO 19 HD1 PRO 19 -2.063 20.846 0.737 145 H ARG 20 HN ARG 20 -7.283 18.527 0.614 146 HA ARG 20 HA ARG 20 -6.904 16.205 -0.866 147 HB2 ARG 20 HB2 ARG 20 -8.603 16.432 0.940 148 HB3 ARG 20 HB1 ARG 20 -9.562 17.477 -0.100 149 HG2 ARG 20 HG2 ARG 20 -10.516 15.236 -0.045 150 HG3 ARG 20 HG1 ARG 20 -9.934 15.606 -1.668 151 HD2 ARG 20 HD2 ARG 20 -7.841 14.299 -1.129 152 HD3 ARG 20 HD1 ARG 20 -8.595 13.826 0.401 153 HE ARG 20 HE ARG 20 -9.778 13.199 -2.248 154 HH11 ARG 20 HH11 ARG 20 -8.920 12.132 0.988 155 HH12 ARG 20 HH12 ARG 20 -9.541 10.531 0.749 156 HH21 ARG 20 HH21 ARG 20 -10.551 11.116 -2.546 157 HH22 ARG 20 HH22 ARG 20 -10.487 9.964 -1.250 158 H GLU 21 HN GLU 21 -8.111 19.333 -1.970 159 HA GLU 21 HA GLU 21 -9.277 18.601 -4.429 160 HB2 GLU 21 HB2 GLU 21 -8.921 20.972 -5.072 161 HB3 GLU 21 HB1 GLU 21 -9.572 20.824 -3.445 162 HG2 GLU 21 HG2 GLU 21 -7.388 21.267 -2.465 163 HG3 GLU 21 HG1 GLU 21 -6.636 21.276 -4.057 164 H THR 22 HN THR 22 -5.918 19.148 -3.502 165 HA THR 22 HA THR 22 -4.919 18.907 -6.259 166 HB THR 22 HB THR 22 -2.682 19.428 -5.224 167 HG1 THR 22 HG1 THR 22 -3.309 18.591 -3.094 168 HG21 THR 22 HG21 THR 22 -4.049 21.304 -6.088 169 HG22 THR 22 HG22 THR 22 -3.124 21.796 -4.668 170 HG23 THR 22 HG23 THR 22 -4.846 21.451 -4.518 171 H ILE 23 HN ILE 23 -6.144 16.663 -4.664 172 HA ILE 23 HA ILE 23 -3.905 14.726 -4.838 173 HB ILE 23 HB ILE 23 -6.333 14.635 -2.988 174 HG12 ILE 23 HG12 ILE 23 -3.342 14.812 -2.382 175 HG13 ILE 23 HG11 ILE 23 -4.502 16.122 -2.199 176 HG21 ILE 23 HG21 ILE 23 -5.408 12.497 -2.138 177 HG22 ILE 23 HG22 ILE 23 -4.197 12.524 -3.413 178 HG23 ILE 23 HG23 ILE 23 -5.904 12.380 -3.825 179 HD11 ILE 23 HD11 ILE 23 -4.464 13.552 -0.608 180 HD12 ILE 23 HD12 ILE 23 -5.630 14.867 -0.422 181 HD13 ILE 23 HD13 ILE 23 -3.927 15.141 -0.064 182 H THR 24 HN THR 24 -4.180 14.219 -6.951 183 HA THR 24 HA THR 24 -6.604 12.684 -7.705 184 HB THR 24 HB THR 24 -5.775 12.927 -10.078 185 HG1 THR 24 HG1 THR 24 -3.541 13.668 -8.961 186 HG21 THR 24 HG21 THR 24 -6.344 15.295 -10.405 187 HG22 THR 24 HG22 THR 24 -6.150 15.599 -8.677 188 HG23 THR 24 HG23 THR 24 -7.449 14.547 -9.247 189 HA PRO 25 HA PRO 25 -4.225 8.847 -7.585 190 HB2 PRO 25 HB2 PRO 25 -5.092 8.330 -10.432 191 HB3 PRO 25 HB1 PRO 25 -5.218 7.284 -9.007 192 HG2 PRO 25 HG2 PRO 25 -7.378 8.533 -9.920 193 HG3 PRO 25 HG1 PRO 25 -7.091 8.437 -8.168 194 HD2 PRO 25 HD2 PRO 25 -6.638 10.763 -10.040 195 HD3 PRO 25 HD1 PRO 25 -7.322 10.750 -8.398 196 H GLU 26 HN GLU 26 -3.671 11.179 -10.098 197 HA GLU 26 HA GLU 26 -1.253 9.851 -11.131 198 HB2 GLU 26 HB2 GLU 26 -1.535 11.368 -13.063 199 HB3 GLU 26 HB1 GLU 26 -3.010 10.460 -12.759 200 HG2 GLU 26 HG2 GLU 26 -3.914 12.461 -11.542 201 HG3 GLU 26 HG1 GLU 26 -2.493 13.359 -12.064 202 H SER 27 HN SER 27 -1.815 11.790 -8.624 203 HA SER 27 HA SER 27 0.015 14.006 -9.103 204 HB2 SER 27 HB2 SER 27 -1.284 13.078 -6.500 205 HB3 SER 27 HB1 SER 27 -0.402 14.593 -6.729 206 HG SER 27 HG SER 27 -1.986 15.240 -8.192 207 H HIS 28 HN HIS 28 2.115 14.167 -8.404 208 HA HIS 28 HA HIS 28 3.465 11.748 -7.443 209 HB2 HIS 28 HB2 HIS 28 4.225 13.100 -9.507 210 HB3 HIS 28 HB1 HIS 28 4.738 14.355 -8.383 211 HD2 HIS 28 HD2 HIS 28 5.861 11.005 -9.788 212 HE1 HIS 28 HE1 HIS 28 8.669 12.124 -6.849 213 HE2 HIS 28 HE2 HIS 28 8.272 10.733 -8.914 214 H ALA 29 HN ALA 29 3.875 11.625 -5.252 215 HA ALA 29 HA ALA 29 3.328 13.439 -3.316 216 HB1 ALA 29 HB1 ALA 29 4.699 12.065 -1.814 217 HB2 ALA 29 HB2 ALA 29 5.482 11.304 -3.204 218 HB3 ALA 29 HB3 ALA 29 3.761 11.049 -2.914 219 H ILE 30 HN ILE 30 6.422 13.228 -5.125 220 HA ILE 30 HA ILE 30 7.787 14.888 -3.119 221 HB ILE 30 HB ILE 30 8.950 13.669 -5.665 222 HG12 ILE 30 HG12 ILE 30 9.083 12.605 -2.808 223 HG13 ILE 30 HG11 ILE 30 8.181 11.874 -4.135 224 HG21 ILE 30 HG21 ILE 30 11.148 14.099 -4.627 225 HG22 ILE 30 HG22 ILE 30 10.354 14.852 -3.245 226 HG23 ILE 30 HG23 ILE 30 10.239 15.599 -4.843 227 HD11 ILE 30 HD11 ILE 30 11.192 12.130 -3.950 228 HD12 ILE 30 HD12 ILE 30 10.307 11.432 -5.311 229 HD13 ILE 30 HD13 ILE 30 10.235 10.666 -3.726 230 H ASP 31 HN ASP 31 6.898 14.909 -6.586 231 HA ASP 31 HA ASP 31 8.201 17.497 -7.008 232 HB2 ASP 31 HB2 ASP 31 7.000 15.415 -8.870 233 HB3 ASP 31 HB1 ASP 31 7.419 17.019 -9.468 234 H ASP 32 HN ASP 32 4.952 16.216 -6.725 235 HA ASP 32 HA ASP 32 3.790 18.747 -7.714 236 HB2 ASP 32 HB2 ASP 32 2.969 16.656 -8.766 237 HB3 ASP 32 HB1 ASP 32 2.466 16.044 -7.196 238 H LEU 33 HN LEU 33 3.252 16.367 -5.054 239 HA LEU 33 HA LEU 33 1.733 18.220 -3.465 240 HB2 LEU 33 HB2 LEU 33 2.879 15.526 -2.627 241 HB3 LEU 33 HB1 LEU 33 1.561 16.397 -1.853 242 HG LEU 33 HG LEU 33 1.483 15.072 -4.599 243 HD11 LEU 33 HD11 LEU 33 -0.139 13.532 -3.595 244 HD12 LEU 33 HD12 LEU 33 0.063 14.314 -2.023 245 HD13 LEU 33 HD13 LEU 33 1.418 13.461 -2.770 246 HD21 LEU 33 HD21 LEU 33 0.124 17.087 -4.663 247 HD22 LEU 33 HD22 LEU 33 -0.716 16.616 -3.185 248 HD23 LEU 33 HD23 LEU 33 -0.915 15.664 -4.657 249 H GLY 34 HN GLY 34 5.094 17.595 -3.798 250 HA2 GLY 34 HA2 GLY 34 6.945 18.547 -2.824 251 HA3 GLY 34 HA1 GLY 34 5.862 19.648 -1.986 252 H ILE 35 HN ILE 35 6.600 16.164 -1.888 253 HA ILE 35 HA ILE 35 6.730 16.243 1.082 254 HB ILE 35 HB ILE 35 5.736 13.981 -0.728 255 HG12 ILE 35 HG12 ILE 35 4.146 15.649 1.267 256 HG13 ILE 35 HG11 ILE 35 4.136 15.909 -0.473 257 HG21 ILE 35 HG21 ILE 35 6.890 13.068 1.251 258 HG22 ILE 35 HG22 ILE 35 5.159 12.740 1.314 259 HG23 ILE 35 HG23 ILE 35 5.848 14.024 2.310 260 HD11 ILE 35 HD11 ILE 35 3.165 13.660 -0.777 261 HD12 ILE 35 HD12 ILE 35 2.166 14.721 0.217 262 HD13 ILE 35 HD13 ILE 35 3.134 13.464 0.979 263 H ASP 36 HN ASP 36 8.734 15.754 1.836 264 HA ASP 36 HA ASP 36 10.781 14.485 0.218 265 HB2 ASP 36 HB2 ASP 36 11.312 16.301 1.848 266 HB3 ASP 36 HB1 ASP 36 10.770 15.276 3.173 267 H SER 37 HN SER 37 11.989 12.533 1.120 268 HA SER 37 HA SER 37 10.396 10.272 1.376 269 HB2 SER 37 HB2 SER 37 12.426 9.264 1.093 270 HB3 SER 37 HB1 SER 37 13.241 10.796 1.409 271 H LEU 38 HN LEU 38 11.886 12.254 3.915 272 HA LEU 38 HA LEU 38 11.381 10.658 6.160 273 HB2 LEU 38 HB2 LEU 38 11.613 13.688 6.005 274 HB3 LEU 38 HB1 LEU 38 11.658 12.760 7.503 275 HG LEU 38 HG LEU 38 13.698 12.573 5.249 276 HD11 LEU 38 HD11 LEU 38 13.855 14.694 6.432 277 HD12 LEU 38 HD12 LEU 38 15.249 13.675 6.780 278 HD13 LEU 38 HD13 LEU 38 13.967 13.853 7.982 279 HD21 LEU 38 HD21 LEU 38 13.462 10.417 6.375 280 HD22 LEU 38 HD22 LEU 38 13.681 11.180 7.953 281 HD23 LEU 38 HD23 LEU 38 15.008 11.155 6.787 282 H ASP 39 HN ASP 39 9.407 13.233 4.712 283 HA ASP 39 HA ASP 39 7.222 13.056 6.565 284 HB2 ASP 39 HB2 ASP 39 7.253 14.195 3.731 285 HB3 ASP 39 HB1 ASP 39 6.015 14.495 4.952 286 H PHE 40 HN PHE 40 8.070 11.461 3.573 287 HA PHE 40 HA PHE 40 5.518 10.229 3.083 288 HB2 PHE 40 HB2 PHE 40 7.391 10.768 1.353 289 HB3 PHE 40 HB1 PHE 40 8.190 9.311 1.933 290 HD1 PHE 40 HD1 PHE 40 5.052 10.585 0.371 291 HD2 PHE 40 HD2 PHE 40 7.507 7.159 1.092 292 HE1 PHE 40 HE1 PHE 40 3.693 9.275 -1.198 293 HE2 PHE 40 HE2 PHE 40 6.140 5.857 -0.488 294 HZ PHE 40 HZ PHE 40 4.239 6.916 -1.631 295 H LEU 41 HN LEU 41 8.303 9.485 5.067 296 HA LEU 41 HA LEU 41 7.826 6.703 5.549 297 HB2 LEU 41 HB2 LEU 41 9.091 8.792 7.380 298 HB3 LEU 41 HB1 LEU 41 9.124 7.061 7.672 299 HG LEU 41 HG LEU 41 10.504 8.529 5.401 300 HD11 LEU 41 HD11 LEU 41 11.621 8.881 7.525 301 HD12 LEU 41 HD12 LEU 41 12.594 7.852 6.477 302 HD13 LEU 41 HD13 LEU 41 11.689 7.139 7.816 303 HD21 LEU 41 HD21 LEU 41 9.741 6.364 4.603 304 HD22 LEU 41 HD22 LEU 41 10.474 5.555 5.991 305 HD23 LEU 41 HD23 LEU 41 11.493 6.357 4.791 306 H ASP 42 HN ASP 42 6.772 9.711 7.112 307 HA ASP 42 HA ASP 42 5.179 8.600 9.193 308 HB2 ASP 42 HB2 ASP 42 4.877 11.301 7.802 309 HB3 ASP 42 HB1 ASP 42 4.144 10.863 9.343 310 H ILE 43 HN ILE 43 4.443 9.620 5.871 311 HA ILE 43 HA ILE 43 1.685 9.039 5.779 312 HB ILE 43 HB ILE 43 3.819 8.958 3.604 313 HG12 ILE 43 HG12 ILE 43 1.647 11.018 4.208 314 HG13 ILE 43 HG11 ILE 43 3.361 11.195 4.572 315 HG21 ILE 43 HG21 ILE 43 2.023 8.914 1.901 316 HG22 ILE 43 HG22 ILE 43 0.820 8.701 3.173 317 HG23 ILE 43 HG23 ILE 43 2.026 7.446 2.881 318 HD11 ILE 43 HD11 ILE 43 2.131 11.010 1.828 319 HD12 ILE 43 HD12 ILE 43 3.860 11.139 2.173 320 HD13 ILE 43 HD13 ILE 43 2.771 12.454 2.614 321 H ALA 44 HN ALA 44 4.552 6.949 5.190 322 HA ALA 44 HA ALA 44 3.070 4.700 4.225 323 HB1 ALA 44 HB1 ALA 44 5.933 4.868 5.263 324 HB2 ALA 44 HB2 ALA 44 5.426 5.095 3.589 325 HB3 ALA 44 HB3 ALA 44 5.240 3.518 4.353 326 H PHE 45 HN PHE 45 4.163 5.818 7.352 327 HA PHE 45 HA PHE 45 3.662 3.403 8.839 328 HB2 PHE 45 HB2 PHE 45 4.549 6.198 9.484 329 HB3 PHE 45 HB1 PHE 45 3.652 5.401 10.770 330 HD1 PHE 45 HD2 PHE 45 6.736 5.197 8.694 331 HD2 PHE 45 HD1 PHE 45 4.597 3.593 12.027 332 HE1 PHE 45 HE2 PHE 45 8.744 3.972 9.396 333 HE2 PHE 45 HE1 PHE 45 6.602 2.369 12.719 334 HZ PHE 45 HZ PHE 45 8.684 2.558 11.411 335 H ALA 46 HN ALA 46 1.831 6.359 8.154 336 HA ALA 46 HA ALA 46 -0.409 5.738 9.832 337 HB1 ALA 46 HB1 ALA 46 -0.241 7.575 7.413 338 HB2 ALA 46 HB2 ALA 46 0.054 8.039 9.089 339 HB3 ALA 46 HB3 ALA 46 -1.560 7.539 8.585 340 H ILE 47 HN ILE 47 0.420 5.062 6.454 341 HA ILE 47 HA ILE 47 -1.973 3.709 5.674 342 HB ILE 47 HB ILE 47 0.890 3.600 4.629 343 HG12 ILE 47 HG12 ILE 47 -1.586 4.870 3.379 344 HG13 ILE 47 HG11 ILE 47 -0.393 5.755 4.322 345 HG21 ILE 47 HG21 ILE 47 -1.517 2.281 3.338 346 HG22 ILE 47 HG22 ILE 47 -0.154 1.450 4.084 347 HG23 ILE 47 HG23 ILE 47 0.095 2.413 2.631 348 HD11 ILE 47 HD11 ILE 47 0.141 4.330 1.714 349 HD12 ILE 47 HD12 ILE 47 1.312 5.263 2.648 350 HD13 ILE 47 HD13 ILE 47 -0.083 6.062 1.930 351 H ASP 48 HN ASP 48 1.107 2.672 7.027 352 HA ASP 48 HA ASP 48 0.959 -0.096 6.954 353 HB2 ASP 48 HB2 ASP 48 2.946 1.309 7.595 354 HB3 ASP 48 HB1 ASP 48 2.180 1.671 9.129 355 H LYS 49 HN LYS 49 -0.162 2.158 9.417 356 HA LYS 49 HA LYS 49 -1.195 0.175 11.215 357 HB2 LYS 49 HB2 LYS 49 -1.528 3.199 11.152 358 HB3 LYS 49 HB1 LYS 49 -2.040 2.160 12.485 359 HG2 LYS 49 HG2 LYS 49 0.254 1.508 12.942 360 HG3 LYS 49 HG1 LYS 49 0.823 2.359 11.504 361 HD2 LYS 49 HD2 LYS 49 0.096 4.516 12.514 362 HD3 LYS 49 HD1 LYS 49 -0.406 3.649 13.972 363 HE2 LYS 49 HE2 LYS 49 1.928 2.939 14.347 364 HE3 LYS 49 HE1 LYS 49 2.428 3.776 12.872 365 HZ1 LYS 49 HZ1 LYS 49 2.873 5.119 14.793 366 HZ2 LYS 49 HZ2 LYS 49 1.266 5.030 15.300 367 HZ3 LYS 49 HZ3 LYS 49 1.658 5.854 13.874 368 H ALA 50 HN ALA 50 -2.727 2.618 9.043 369 HA ALA 50 HA ALA 50 -5.388 2.144 9.710 370 HB1 ALA 50 HB1 ALA 50 -5.988 3.317 7.645 371 HB2 ALA 50 HB2 ALA 50 -4.343 3.114 7.032 372 HB3 ALA 50 HB3 ALA 50 -4.638 4.121 8.450 373 H PHE 51 HN PHE 51 -3.622 0.820 6.901 374 HA PHE 51 HA PHE 51 -5.746 -1.031 6.207 375 HB2 PHE 51 HB2 PHE 51 -2.903 -0.721 5.157 376 HB3 PHE 51 HB1 PHE 51 -4.089 -1.836 4.489 377 HD1 PHE 51 HD2 PHE 51 -3.288 1.766 4.973 378 HD2 PHE 51 HD1 PHE 51 -5.784 -1.075 2.976 379 HE1 PHE 51 HE2 PHE 51 -4.073 3.521 3.447 380 HE2 PHE 51 HE1 PHE 51 -6.570 0.688 1.465 381 HZ PHE 51 HZ PHE 51 -5.712 2.981 1.691 382 H GLY 52 HN GLY 52 -3.119 -1.107 8.454 383 HA2 GLY 52 HA2 GLY 52 -2.323 -2.744 9.814 384 HA3 GLY 52 HA1 GLY 52 -3.573 -3.810 9.203 385 H ILE 53 HN ILE 53 -1.375 -2.381 6.931 386 HA ILE 53 HA ILE 53 -0.175 -5.041 6.405 387 HB ILE 53 HB ILE 53 0.262 -4.129 4.068 388 HG12 ILE 53 HG12 ILE 53 -1.415 -2.165 3.417 389 HG13 ILE 53 HG11 ILE 53 -1.357 -1.770 5.121 390 HG21 ILE 53 HG21 ILE 53 -2.049 -4.512 3.285 391 HG22 ILE 53 HG22 ILE 53 -2.648 -4.311 4.934 392 HG23 ILE 53 HG23 ILE 53 -1.583 -5.662 4.539 393 HD11 ILE 53 HD11 ILE 53 0.116 -0.384 3.788 394 HD12 ILE 53 HD12 ILE 53 1.010 -1.808 3.263 395 HD13 ILE 53 HD13 ILE 53 1.024 -1.332 4.963 396 H LYS 54 HN LYS 54 2.014 -4.449 4.952 397 HA LYS 54 HA LYS 54 3.641 -2.457 6.383 398 HB2 LYS 54 HB2 LYS 54 3.842 -4.929 7.326 399 HB3 LYS 54 HB1 LYS 54 4.791 -5.234 5.881 400 HG2 LYS 54 HG2 LYS 54 5.427 -3.158 8.015 401 HG3 LYS 54 HG1 LYS 54 6.180 -4.749 7.885 402 HD2 LYS 54 HD2 LYS 54 7.207 -4.125 5.751 403 HD3 LYS 54 HD1 LYS 54 6.369 -2.570 5.762 404 HE2 LYS 54 HE2 LYS 54 7.629 -1.979 7.854 405 HE3 LYS 54 HE1 LYS 54 8.535 -3.489 7.686 406 HZ1 LYS 54 HZ1 LYS 54 9.701 -1.567 6.754 407 HZ2 LYS 54 HZ2 LYS 54 8.443 -1.330 5.652 408 HZ3 LYS 54 HZ3 LYS 54 9.378 -2.737 5.583 409 H LEU 55 HN LEU 55 4.296 -1.141 4.742 410 HA LEU 55 HA LEU 55 4.761 -2.082 2.049 411 HB2 LEU 55 HB2 LEU 55 5.287 0.645 3.307 412 HB3 LEU 55 HB1 LEU 55 5.367 0.288 1.586 413 HG LEU 55 HG LEU 55 2.861 0.234 3.320 414 HD11 LEU 55 HD11 LEU 55 3.642 2.126 1.079 415 HD12 LEU 55 HD12 LEU 55 3.591 2.508 2.803 416 HD13 LEU 55 HD13 LEU 55 2.102 2.119 1.947 417 HD21 LEU 55 HD21 LEU 55 1.614 -0.320 1.313 418 HD22 LEU 55 HD22 LEU 55 2.818 -1.556 1.619 419 HD23 LEU 55 HD23 LEU 55 3.091 -0.357 0.353 420 HA PRO 56 HA PRO 56 9.302 -2.540 2.751 421 HB2 PRO 56 HB2 PRO 56 9.951 -3.336 0.225 422 HB3 PRO 56 HB1 PRO 56 9.213 -4.444 1.393 423 HG2 PRO 56 HG2 PRO 56 7.899 -2.887 -0.837 424 HG3 PRO 56 HG1 PRO 56 7.678 -4.594 -0.395 425 HD2 PRO 56 HD2 PRO 56 5.925 -2.649 0.373 426 HD3 PRO 56 HD1 PRO 56 6.241 -4.084 1.370 427 H LEU 57 HN LEU 57 8.647 -0.067 2.890 428 HA LEU 57 HA LEU 57 8.852 1.657 0.655 429 HB2 LEU 57 HB2 LEU 57 7.790 1.987 3.062 430 HB3 LEU 57 HB1 LEU 57 9.390 2.492 3.546 431 HG LEU 57 HG LEU 57 7.823 4.383 3.108 432 HD11 LEU 57 HD11 LEU 57 9.286 5.804 1.788 433 HD12 LEU 57 HD12 LEU 57 10.155 4.386 1.190 434 HD13 LEU 57 HD13 LEU 57 10.215 4.800 2.903 435 HD21 LEU 57 HD21 LEU 57 6.503 3.353 1.331 436 HD22 LEU 57 HD22 LEU 57 7.875 3.459 0.226 437 HD23 LEU 57 HD23 LEU 57 7.115 4.928 0.837 438 H GLU 58 HN GLU 58 11.112 0.366 2.958 439 HA GLU 58 HA GLU 58 13.408 1.942 2.559 440 HB2 GLU 58 HB2 GLU 58 13.388 -1.055 3.180 441 HB3 GLU 58 HB1 GLU 58 14.662 0.094 3.547 442 HG2 GLU 58 HG2 GLU 58 13.673 -0.265 5.621 443 HG3 GLU 58 HG1 GLU 58 12.927 1.237 5.087 444 H LYS 59 HN LYS 59 12.319 -1.063 1.078 445 HA LYS 59 HA LYS 59 14.406 -1.592 -0.730 446 HB2 LYS 59 HB2 LYS 59 12.737 -3.284 -0.172 447 HB3 LYS 59 HB1 LYS 59 11.439 -2.271 -0.784 448 HG2 LYS 59 HG2 LYS 59 12.352 -2.532 -3.095 449 HG3 LYS 59 HG1 LYS 59 13.588 -3.623 -2.457 450 HD2 LYS 59 HD2 LYS 59 11.819 -5.177 -1.688 451 HD3 LYS 59 HD1 LYS 59 10.577 -4.075 -2.295 452 HE2 LYS 59 HE2 LYS 59 12.678 -5.448 -4.021 453 HE3 LYS 59 HE1 LYS 59 11.004 -5.978 -3.843 454 HZ1 LYS 59 HZ1 LYS 59 11.791 -3.314 -4.839 455 HZ2 LYS 59 HZ2 LYS 59 10.248 -3.992 -4.850 456 HZ3 LYS 59 HZ3 LYS 59 11.460 -4.623 -5.835 457 H TRP 60 HN TRP 60 11.332 0.115 -1.125 458 HA TRP 60 HA TRP 60 11.457 0.658 -3.884 459 HB2 TRP 60 HB2 TRP 60 9.976 2.145 -1.671 460 HB3 TRP 60 HB1 TRP 60 9.668 2.344 -3.398 461 HD1 TRP 60 HD1 TRP 60 10.122 -1.183 -3.354 462 HE1 TRP 60 HE1 TRP 60 7.943 -2.465 -2.976 463 HE3 TRP 60 HE3 TRP 60 7.229 2.626 -1.530 464 HZ2 TRP 60 HZ2 TRP 60 5.357 -1.969 -2.045 465 HZ3 TRP 60 HZ3 TRP 60 4.892 2.125 -0.923 466 HH2 TRP 60 HH2 TRP 60 3.980 -0.130 -1.181 467 H THR 61 HN THR 61 12.494 2.542 -1.080 468 HA THR 61 HA THR 61 13.216 4.957 -2.369 469 HB THR 61 HB THR 61 14.297 3.728 0.209 470 HG1 THR 61 HG1 THR 61 11.919 4.296 -0.109 471 HG21 THR 61 HG21 THR 61 14.413 6.623 -0.723 472 HG22 THR 61 HG22 THR 61 15.790 5.528 -0.612 473 HG23 THR 61 HG23 THR 61 14.943 6.016 0.853 474 H GLN 62 HN GLN 62 15.045 1.938 -1.720 475 HA GLN 62 HA GLN 62 17.611 2.975 -2.438 476 HB2 GLN 62 HB2 GLN 62 16.573 0.123 -2.146 477 HB3 GLN 62 HB1 GLN 62 18.271 0.537 -2.400 478 HG2 GLN 62 HG2 GLN 62 18.347 1.718 -0.280 479 HG3 GLN 62 HG1 GLN 62 16.618 1.480 -0.043 480 HE21 GLN 62 HE21 GLN 62 16.869 0.434 1.892 481 HE22 GLN 62 HE22 GLN 62 17.525 -1.161 2.031 482 H GLU 63 HN GLU 63 15.063 1.155 -4.093 483 HA GLU 63 HA GLU 63 16.384 0.571 -6.523 484 HB2 GLU 63 HB2 GLU 63 13.420 1.063 -5.986 485 HB3 GLU 63 HB1 GLU 63 14.057 0.373 -7.479 486 HG2 GLU 63 HG2 GLU 63 14.869 -1.580 -6.259 487 HG3 GLU 63 HG1 GLU 63 14.346 -0.878 -4.731 488 H VAL 64 HN VAL 64 14.269 3.287 -5.618 489 HA VAL 64 HA VAL 64 14.272 4.730 -8.023 490 HB VAL 64 HB VAL 64 13.976 5.700 -5.142 491 HG11 VAL 64 HG11 VAL 64 13.426 7.267 -7.699 492 HG12 VAL 64 HG12 VAL 64 14.677 7.626 -6.505 493 HG13 VAL 64 HG13 VAL 64 12.976 7.785 -6.072 494 HG21 VAL 64 HG21 VAL 64 11.883 5.161 -7.291 495 HG22 VAL 64 HG22 VAL 64 11.555 5.740 -5.655 496 HG23 VAL 64 HG23 VAL 64 12.224 4.126 -5.904 497 H ASN 65 HN ASN 65 16.306 5.241 -5.134 498 HA ASN 65 HA ASN 65 18.044 7.189 -6.111 499 HB2 ASN 65 HB2 ASN 65 18.515 5.086 -3.954 500 HB3 ASN 65 HB1 ASN 65 19.585 6.456 -4.240 501 HD21 ASN 65 HD21 ASN 65 18.106 5.767 -1.842 502 HD22 ASN 65 HD22 ASN 65 17.098 7.124 -1.488 503 H ASP 66 HN ASP 66 18.240 3.661 -6.463 504 HA ASP 66 HA ASP 66 20.986 3.743 -7.486 505 HB2 ASP 66 HB2 ASP 66 20.069 1.966 -5.879 506 HB3 ASP 66 HB1 ASP 66 19.128 1.331 -7.219 507 H GLY 67 HN GLY 67 18.186 4.577 -8.881 508 HA2 GLY 67 HA2 GLY 67 17.523 4.863 -11.059 509 HA3 GLY 67 HA1 GLY 67 19.021 4.113 -11.577 510 H LYS 68 HN LYS 68 17.528 1.976 -9.523 511 HA LYS 68 HA LYS 68 16.818 0.104 -11.588 512 HB2 LYS 68 HB2 LYS 68 16.318 -0.005 -8.580 513 HB3 LYS 68 HB1 LYS 68 16.198 -1.373 -9.687 514 HG2 LYS 68 HG2 LYS 68 18.743 0.186 -9.126 515 HG3 LYS 68 HG1 LYS 68 18.291 -1.318 -8.323 516 HD2 LYS 68 HD2 LYS 68 18.714 -1.028 -11.322 517 HD3 LYS 68 HD1 LYS 68 19.947 -1.595 -10.191 518 HE2 LYS 68 HE2 LYS 68 17.280 -2.942 -10.758 519 HE3 LYS 68 HE1 LYS 68 18.866 -3.492 -11.301 520 HZ1 LYS 68 HZ1 LYS 68 19.499 -3.783 -8.966 521 HZ2 LYS 68 HZ2 LYS 68 18.160 -4.734 -9.369 522 HZ3 LYS 68 HZ3 LYS 68 17.957 -3.313 -8.471 523 H ALA 69 HN ALA 69 15.154 2.474 -9.745 524 HA ALA 69 HA ALA 69 12.639 1.967 -11.182 525 HB1 ALA 69 HB1 ALA 69 12.813 2.531 -8.188 526 HB2 ALA 69 HB2 ALA 69 12.343 0.995 -8.923 527 HB3 ALA 69 HB3 ALA 69 11.325 2.420 -9.139 528 H THR 70 HN THR 70 11.287 3.896 -11.274 529 HA THR 70 HA THR 70 12.756 6.436 -11.120 530 HB THR 70 HB THR 70 10.836 7.416 -12.315 531 HG1 THR 70 HG1 THR 70 9.167 5.815 -13.028 532 HG21 THR 70 HG21 THR 70 11.659 4.774 -13.585 533 HG22 THR 70 HG22 THR 70 12.530 6.306 -13.720 534 HG23 THR 70 HG23 THR 70 10.924 6.140 -14.430 535 H THR 71 HN THR 71 11.721 8.301 -10.023 536 HA THR 71 HA THR 71 10.713 7.844 -7.437 537 HB THR 71 HB THR 71 10.016 10.268 -7.469 538 HG1 THR 71 HG1 THR 71 11.103 10.466 -10.072 539 HG21 THR 71 HG21 THR 71 12.257 11.262 -7.829 540 HG22 THR 71 HG22 THR 71 12.791 9.788 -8.643 541 HG23 THR 71 HG23 THR 71 12.377 9.749 -6.926 542 H GLU 72 HN GLU 72 8.964 8.939 -10.351 543 HA GLU 72 HA GLU 72 6.359 8.936 -9.653 544 HB2 GLU 72 HB2 GLU 72 7.460 7.830 -12.269 545 HB3 GLU 72 HB1 GLU 72 5.829 8.448 -12.014 546 HG2 GLU 72 HG2 GLU 72 6.757 10.696 -11.557 547 HG3 GLU 72 HG1 GLU 72 8.387 10.074 -11.825 548 H GLN 73 HN GLN 73 8.203 6.060 -10.490 549 HA GLN 73 HA GLN 73 6.253 4.138 -10.794 550 HB2 GLN 73 HB2 GLN 73 8.639 3.792 -11.255 551 HB3 GLN 73 HB1 GLN 73 8.999 3.811 -9.536 552 HG2 GLN 73 HG2 GLN 73 7.875 1.715 -9.191 553 HG3 GLN 73 HG1 GLN 73 7.206 1.736 -10.824 554 HE21 GLN 73 HE21 GLN 73 8.926 -0.271 -9.496 555 HE22 GLN 73 HE22 GLN 73 10.303 -0.449 -10.524 556 H TYR 74 HN TYR 74 7.543 5.379 -7.698 557 HA TYR 74 HA TYR 74 5.597 3.657 -6.243 558 HB2 TYR 74 HB2 TYR 74 8.354 4.588 -5.337 559 HB3 TYR 74 HB1 TYR 74 7.195 3.770 -4.291 560 HD1 TYR 74 HD2 TYR 74 6.199 1.500 -5.389 561 HD2 TYR 74 HD1 TYR 74 10.019 3.198 -6.293 562 HE1 TYR 74 HE2 TYR 74 6.995 -0.702 -6.119 563 HE2 TYR 74 HE1 TYR 74 10.820 0.993 -7.025 564 HH TYR 74 HH TYR 74 10.251 -1.417 -6.588 565 H PHE 75 HN PHE 75 6.395 6.916 -6.955 566 HA PHE 75 HA PHE 75 5.106 7.931 -4.493 567 HB2 PHE 75 HB2 PHE 75 7.124 9.221 -6.378 568 HB3 PHE 75 HB1 PHE 75 6.253 10.129 -5.146 569 HD1 PHE 75 HD1 PHE 75 8.877 7.539 -5.685 570 HD2 PHE 75 HD2 PHE 75 6.814 9.912 -2.782 571 HE1 PHE 75 HE1 PHE 75 10.583 6.983 -4.007 572 HE2 PHE 75 HE2 PHE 75 8.535 9.362 -1.124 573 HZ PHE 75 HZ PHE 75 10.413 7.888 -1.721 574 H VAL 76 HN VAL 76 4.104 7.143 -7.492 575 HA VAL 76 HA VAL 76 2.267 9.454 -7.739 576 HB VAL 76 HB VAL 76 2.703 7.044 -9.570 577 HG11 VAL 76 HG11 VAL 76 0.519 9.158 -9.798 578 HG12 VAL 76 HG12 VAL 76 0.275 7.435 -9.493 579 HG13 VAL 76 HG13 VAL 76 0.918 7.973 -11.044 580 HG21 VAL 76 HG21 VAL 76 4.317 8.911 -9.816 581 HG22 VAL 76 HG22 VAL 76 2.983 10.036 -10.079 582 HG23 VAL 76 HG23 VAL 76 3.300 8.756 -11.252 583 H LEU 77 HN LEU 77 0.258 9.323 -6.964 584 HA LEU 77 HA LEU 77 -0.117 7.740 -4.733 585 HB2 LEU 77 HB2 LEU 77 -2.315 9.243 -6.191 586 HB3 LEU 77 HB1 LEU 77 -2.314 8.766 -4.498 587 HG LEU 77 HG LEU 77 -0.637 10.917 -5.833 588 HD11 LEU 77 HD11 LEU 77 -2.552 11.046 -3.493 589 HD12 LEU 77 HD12 LEU 77 -2.862 11.596 -5.143 590 HD13 LEU 77 HD13 LEU 77 -1.630 12.394 -4.171 591 HD21 LEU 77 HD21 LEU 77 0.531 11.270 -3.673 592 HD22 LEU 77 HD22 LEU 77 0.923 9.725 -4.418 593 HD23 LEU 77 HD23 LEU 77 -0.194 9.781 -3.054 594 H LYS 78 HN LYS 78 -1.434 7.107 -7.979 595 HA LYS 78 HA LYS 78 -3.180 4.964 -7.109 596 HB2 LYS 78 HB2 LYS 78 -3.516 4.462 -9.499 597 HB3 LYS 78 HB1 LYS 78 -3.735 6.174 -9.161 598 HG2 LYS 78 HG2 LYS 78 -1.506 6.659 -10.092 599 HG3 LYS 78 HG1 LYS 78 -1.253 4.937 -10.416 600 HD2 LYS 78 HD2 LYS 78 -3.132 4.947 -12.006 601 HD3 LYS 78 HD1 LYS 78 -3.467 6.643 -11.631 602 HE2 LYS 78 HE2 LYS 78 -2.250 6.466 -13.744 603 HE3 LYS 78 HE1 LYS 78 -1.243 7.266 -12.540 604 HZ1 LYS 78 HZ1 LYS 78 0.019 5.653 -13.800 605 HZ2 LYS 78 HZ2 LYS 78 -1.042 4.415 -13.356 606 HZ3 LYS 78 HZ3 LYS 78 -0.080 5.164 -12.184 607 H ASN 79 HN ASN 79 0.101 5.184 -8.393 608 HA ASN 79 HA ASN 79 0.629 2.410 -8.774 609 HB2 ASN 79 HB2 ASN 79 2.556 4.717 -8.212 610 HB3 ASN 79 HB1 ASN 79 3.059 3.101 -8.698 611 HD21 ASN 79 HD21 ASN 79 4.104 3.990 -10.514 612 HD22 ASN 79 HD22 ASN 79 3.224 4.516 -11.905 613 H LEU 80 HN LEU 80 1.285 4.660 -6.124 614 HA LEU 80 HA LEU 80 2.411 2.950 -4.223 615 HB2 LEU 80 HB2 LEU 80 2.427 5.427 -4.033 616 HB3 LEU 80 HB1 LEU 80 0.682 5.431 -3.846 617 HG LEU 80 HG LEU 80 0.968 4.144 -1.684 618 HD11 LEU 80 HD11 LEU 80 3.154 3.147 -2.082 619 HD12 LEU 80 HD12 LEU 80 3.150 4.073 -0.585 620 HD13 LEU 80 HD13 LEU 80 3.921 4.738 -2.028 621 HD21 LEU 80 HD21 LEU 80 0.554 6.552 -1.648 622 HD22 LEU 80 HD22 LEU 80 2.288 6.879 -1.761 623 HD23 LEU 80 HD23 LEU 80 1.628 6.078 -0.330 624 H ALA 81 HN ALA 81 -1.002 3.937 -4.730 625 HA ALA 81 HA ALA 81 -2.100 2.485 -2.531 626 HB1 ALA 81 HB1 ALA 81 -3.234 4.439 -3.521 627 HB2 ALA 81 HB2 ALA 81 -4.296 3.028 -3.514 628 HB3 ALA 81 HB3 ALA 81 -3.507 3.536 -5.013 629 H ALA 82 HN ALA 82 -1.368 1.621 -5.842 630 HA ALA 82 HA ALA 82 -2.899 -0.762 -6.053 631 HB1 ALA 82 HB1 ALA 82 -1.905 0.350 -8.025 632 HB2 ALA 82 HB2 ALA 82 -1.375 -1.331 -7.916 633 HB3 ALA 82 HB3 ALA 82 -0.285 -0.027 -7.433 634 H ARG 83 HN ARG 83 0.489 -0.113 -5.084 635 HA ARG 83 HA ARG 83 1.355 -2.742 -4.547 636 HB2 ARG 83 HB2 ARG 83 2.233 -0.257 -3.003 637 HB3 ARG 83 HB1 ARG 83 3.139 -1.752 -3.187 638 HG2 ARG 83 HG2 ARG 83 2.512 0.187 -5.433 639 HG3 ARG 83 HG1 ARG 83 4.025 0.137 -4.534 640 HD2 ARG 83 HD2 ARG 83 4.386 -0.992 -6.616 641 HD3 ARG 83 HD1 ARG 83 4.338 -2.226 -5.363 642 HE ARG 83 HE ARG 83 2.427 -3.101 -6.294 643 HH11 ARG 83 HH11 ARG 83 2.980 0.034 -7.813 644 HH12 ARG 83 HH12 ARG 83 1.853 -0.271 -9.095 645 HH21 ARG 83 HH21 ARG 83 0.966 -3.452 -8.005 646 HH22 ARG 83 HH22 ARG 83 0.731 -2.218 -9.208 647 H ILE 84 HN ILE 84 -0.231 -0.372 -2.505 648 HA ILE 84 HA ILE 84 -0.081 -1.697 -0.003 649 HB ILE 84 HB ILE 84 -2.055 0.415 -0.999 650 HG12 ILE 84 HG12 ILE 84 0.471 0.856 0.644 651 HG13 ILE 84 HG11 ILE 84 0.437 1.001 -1.105 652 HG21 ILE 84 HG21 ILE 84 -2.446 0.968 1.380 653 HG22 ILE 84 HG22 ILE 84 -1.418 -0.378 1.869 654 HG23 ILE 84 HG23 ILE 84 -2.930 -0.690 1.016 655 HD11 ILE 84 HD11 ILE 84 0.335 3.148 -0.027 656 HD12 ILE 84 HD12 ILE 84 -1.118 2.673 0.851 657 HD13 ILE 84 HD13 ILE 84 -1.160 2.832 -0.907 658 H ASP 85 HN ASP 85 -2.678 -1.429 -2.425 659 HA ASP 85 HA ASP 85 -4.641 -2.974 -1.091 660 HB2 ASP 85 HB2 ASP 85 -5.143 -1.358 -2.923 661 HB3 ASP 85 HB1 ASP 85 -4.333 -2.417 -4.078 662 H GLU 86 HN GLU 86 -2.112 -3.815 -3.355 663 HA GLU 86 HA GLU 86 -2.772 -6.536 -3.806 664 HB2 GLU 86 HB2 GLU 86 -0.133 -5.042 -3.985 665 HB3 GLU 86 HB1 GLU 86 -0.300 -6.737 -4.429 666 HG2 GLU 86 HG2 GLU 86 -1.870 -6.178 -6.188 667 HG3 GLU 86 HG1 GLU 86 -1.877 -4.484 -5.695 668 H LEU 87 HN LEU 87 -0.939 -4.928 -1.241 669 HA LEU 87 HA LEU 87 -0.093 -7.386 0.044 670 HB2 LEU 87 HB2 LEU 87 -0.082 -4.510 1.044 671 HB3 LEU 87 HB1 LEU 87 0.654 -5.867 1.893 672 HG LEU 87 HG LEU 87 1.494 -4.862 -0.858 673 HD11 LEU 87 HD11 LEU 87 2.070 -3.255 0.875 674 HD12 LEU 87 HD12 LEU 87 3.512 -4.024 0.223 675 HD13 LEU 87 HD13 LEU 87 2.896 -4.511 1.804 676 HD21 LEU 87 HD21 LEU 87 1.896 -7.269 -0.646 677 HD22 LEU 87 HD22 LEU 87 2.767 -7.020 0.868 678 HD23 LEU 87 HD23 LEU 87 3.421 -6.386 -0.644 679 H VAL 88 HN VAL 88 -2.864 -5.248 0.262 680 HA VAL 88 HA VAL 88 -3.983 -6.277 2.711 681 HB VAL 88 HB VAL 88 -5.332 -4.814 0.379 682 HG11 VAL 88 HG11 VAL 88 -6.432 -5.387 3.161 683 HG12 VAL 88 HG12 VAL 88 -7.013 -6.092 1.651 684 HG13 VAL 88 HG13 VAL 88 -7.213 -4.364 1.948 685 HG21 VAL 88 HG21 VAL 88 -4.388 -3.722 3.071 686 HG22 VAL 88 HG22 VAL 88 -5.227 -2.795 1.823 687 HG23 VAL 88 HG23 VAL 88 -3.611 -3.429 1.512 688 H ALA 89 HN ALA 89 -4.322 -6.954 -0.731 689 HA ALA 89 HA ALA 89 -6.182 -9.117 -0.547 690 HB1 ALA 89 HB1 ALA 89 -5.684 -9.461 -2.941 691 HB2 ALA 89 HB2 ALA 89 -4.323 -8.339 -2.828 692 HB3 ALA 89 HB3 ALA 89 -5.969 -7.753 -2.593 693 H ALA 90 HN ALA 90 -2.663 -8.822 -0.480 694 HA ALA 90 HA ALA 90 -2.020 -11.596 -0.664 695 HB1 ALA 90 HB1 ALA 90 0.213 -10.957 0.140 696 HB2 ALA 90 HB2 ALA 90 -0.390 -9.362 0.605 697 HB3 ALA 90 HB3 ALA 90 -0.343 -9.827 -1.097 698 H LYS 91 HN LYS 91 -3.221 -9.583 1.905 699 HA LYS 91 HA LYS 91 -2.697 -11.575 4.000 700 HB2 LYS 91 HB2 LYS 91 -2.538 -9.205 4.645 701 HB3 LYS 91 HB1 LYS 91 -4.191 -8.912 4.110 702 HG2 LYS 91 HG2 LYS 91 -5.078 -10.328 5.876 703 HG3 LYS 91 HG1 LYS 91 -3.459 -10.844 6.337 704 HD2 LYS 91 HD2 LYS 91 -4.605 -8.042 6.639 705 HD3 LYS 91 HD1 LYS 91 -4.356 -9.213 7.937 706 HE2 LYS 91 HE2 LYS 91 -1.864 -9.163 7.273 707 HE3 LYS 91 HE1 LYS 91 -2.268 -7.729 6.321 708 HZ1 LYS 91 HZ1 LYS 91 -2.641 -8.058 9.245 709 HZ2 LYS 91 HZ2 LYS 91 -3.072 -6.688 8.348 710 HZ3 LYS 91 HZ3 LYS 91 -1.448 -7.135 8.483 711 H GLY 92 HN GLY 92 -5.143 -10.644 1.728 712 HA2 GLY 92 HA2 GLY 92 -7.394 -11.876 3.141 713 HA3 GLY 92 HA1 GLY 92 -7.438 -11.048 1.587 714 H ALA 93 HN ALA 93 -5.009 -12.698 0.806 715 HA ALA 93 HA ALA 93 -5.974 -14.719 -0.731 716 HB1 ALA 93 HB1 ALA 93 -3.700 -15.664 -0.742 717 HB2 ALA 93 HB2 ALA 93 -3.298 -14.717 0.696 718 HB3 ALA 93 HB3 ALA 93 -3.660 -13.904 -0.830 719 H LEU 94 HN LEU 94 -4.979 -14.976 2.642 720 HA LEU 94 HA LEU 94 -6.536 -17.475 2.995 721 HB2 LEU 94 HB2 LEU 94 -3.992 -16.662 4.483 722 HB3 LEU 94 HB1 LEU 94 -4.902 -18.148 4.716 723 HG LEU 94 HG LEU 94 -3.379 -17.404 2.182 724 HD11 LEU 94 HD11 LEU 94 -1.769 -19.136 2.853 725 HD12 LEU 94 HD12 LEU 94 -2.656 -19.410 4.355 726 HD13 LEU 94 HD13 LEU 94 -1.867 -17.857 4.061 727 HD21 LEU 94 HD21 LEU 94 -3.785 -19.733 1.467 728 HD22 LEU 94 HD22 LEU 94 -5.298 -18.856 1.683 729 HD23 LEU 94 HD23 LEU 94 -4.771 -20.016 2.906 730 H GLU 95 HN GLU 95 -6.811 -17.605 5.635 731 HA GLU 95 HA GLU 95 -8.203 -15.254 6.538 732 HB2 GLU 95 HB2 GLU 95 -8.473 -16.509 8.671 733 HB3 GLU 95 HB1 GLU 95 -8.923 -17.471 7.266 734 HG2 GLU 95 HG2 GLU 95 -6.735 -18.628 7.363 735 HG3 GLU 95 HG1 GLU 95 -6.310 -17.686 8.794 736 H HIS 96 HN HIS 96 -4.994 -16.616 7.001 737 HA HIS 96 HA HIS 96 -2.983 -15.747 7.521 738 HB2 HIS 96 HB2 HIS 96 -3.948 -14.011 5.851 739 HB3 HIS 96 HB1 HIS 96 -4.228 -12.981 7.244 740 HD1 HIS 96 HD1 HIS 96 -1.541 -14.335 5.044 741 HD2 HIS 96 HD2 HIS 96 -1.883 -11.779 8.298 742 HE1 HIS 96 HE1 HIS 96 0.658 -13.146 5.191 743 HE2 HIS 96 HE2 HIS 96 0.425 -11.584 7.157 744 H HIS 97 HN HIS 97 -5.098 -16.081 9.670 745 HA HIS 97 HA HIS 97 -5.349 -15.948 11.895 746 HB2 HIS 97 HB2 HIS 97 -2.886 -16.422 11.900 747 HB3 HIS 97 HB1 HIS 97 -2.572 -14.694 11.958 748 HD1 HIS 97 HD1 HIS 97 -2.555 -13.614 14.253 749 HD2 HIS 97 HD2 HIS 97 -4.128 -17.464 14.317 750 HE1 HIS 97 HE1 HIS 97 -2.816 -14.201 16.686 751 HE2 HIS 97 HE2 HIS 97 -3.743 -16.542 16.697 752 H HIS 98 HN HIS 98 -5.482 -13.306 9.984 753 HA HIS 98 HA HIS 98 -5.685 -11.168 11.902 754 HB2 HIS 98 HB2 HIS 98 -5.151 -10.733 9.492 755 HB3 HIS 98 HB1 HIS 98 -6.769 -11.273 9.047 756 HD1 HIS 98 HD1 HIS 98 -8.231 -9.323 8.586 757 HD2 HIS 98 HD2 HIS 98 -5.484 -8.456 11.580 758 HE1 HIS 98 HE1 HIS 98 -8.713 -6.957 9.271 759 HE2 HIS 98 HE2 HIS 98 -7.109 -6.484 11.150 760 H HIS 99 HN HIS 99 -7.776 -13.609 10.648 761 HA HIS 99 HA HIS 99 -9.818 -12.997 12.611 762 HB2 HIS 99 HB2 HIS 99 -11.685 -12.976 10.977 763 HB3 HIS 99 HB1 HIS 99 -10.599 -11.626 10.725 764 HD1 HIS 99 HD1 HIS 99 -12.469 -13.914 8.834 765 HD2 HIS 99 HD2 HIS 99 -8.600 -12.438 8.495 766 HE1 HIS 99 HE1 HIS 99 -11.840 -14.242 6.420 767 HE2 HIS 99 HE2 HIS 99 -9.538 -13.230 6.221 768 H HIS 100 HN HIS 100 -10.505 -14.846 13.455 769 HA HIS 100 HA HIS 100 -11.049 -17.271 12.039 770 HB2 HIS 100 HB2 HIS 100 -8.612 -17.605 12.156 771 HB3 HIS 100 HB1 HIS 100 -8.591 -17.190 13.864 772 HD1 HIS 100 HD1 HIS 100 -9.317 -20.008 11.514 773 HD2 HIS 100 HD2 HIS 100 -9.388 -19.301 15.611 774 HE1 HIS 100 HE1 HIS 100 -9.516 -22.272 12.581 775 HE2 HIS 100 HE2 HIS 100 -9.646 -21.820 15.063 776 H HIS 101 HN HIS 101 -9.947 -16.237 15.277 777 HA HIS 101 HA HIS 101 -11.940 -17.687 16.721 778 HB2 HIS 101 HB2 HIS 101 -9.716 -17.189 17.696 779 HB3 HIS 101 HB1 HIS 101 -10.060 -15.463 17.654 780 HD1 HIS 101 HD1 HIS 101 -11.726 -14.540 19.437 781 HD2 HIS 101 HD2 HIS 101 -10.902 -18.601 19.813 782 HE1 HIS 101 HE1 HIS 101 -12.565 -15.192 21.720 783 HE2 HIS 101 HE2 HIS 101 -12.206 -17.686 21.848 784 H282 PNS 102 H282 PNS 102 14.749 11.651 2.930 785 H281 PNS 102 H281 PNS 102 15.859 11.055 4.175 786 H303 PNS 102 H303 PNS 102 16.668 10.689 0.558 787 H302 PNS 102 H302 PNS 102 15.736 12.190 0.557 788 H301 PNS 102 H301 PNS 102 17.485 12.242 0.342 789 H313 PNS 102 H313 PNS 102 19.035 11.620 2.347 790 H312 PNS 102 H312 PNS 102 18.317 11.237 3.909 791 H311 PNS 102 H311 PNS 102 18.164 10.100 2.568 792 H32 PNS 102 H32 PNS 102 15.841 13.785 2.607 793 H33 PNS 102 H33 PNS 102 17.128 14.395 4.525 794 H36 PNS 102 H36 PNS 102 16.779 15.877 2.645 795 H372 PNS 102 H372 PNS 102 18.030 17.595 1.836 796 H371 PNS 102 H371 PNS 102 19.444 16.586 2.117 797 H382 PNS 102 H382 PNS 102 19.347 17.320 -0.228 798 H381 PNS 102 H381 PNS 102 19.184 15.574 -0.112 799 H41 PNS 102 H41 PNS 102 17.007 14.636 -0.362 800 H422 PNS 102 H422 PNS 102 14.682 15.993 -1.138 801 H421 PNS 102 H421 PNS 102 15.599 15.652 -2.610 802 H431 PNS 102 H431 PNS 102 14.615 13.612 -0.591 803 H432 PNS 102 H432 PNS 102 15.608 13.242 -2.005 804 H44 PNS 102 H44 PNS 102 12.403 14.432 -2.010 Start of MODEL 9 1 H1 MET 1 HT1 MET 1 -19.347 4.155 -1.606 2 H2 MET 1 HT2 MET 1 -18.444 5.340 -0.806 3 H3 MET 1 HT3 MET 1 -17.998 3.714 -0.688 4 HA MET 1 HA MET 1 -17.426 3.617 -2.992 5 HB2 MET 1 HB2 MET 1 -18.151 6.581 -3.072 6 HB3 MET 1 HB1 MET 1 -17.533 5.629 -4.415 7 HG2 MET 1 HG2 MET 1 -19.601 4.328 -4.465 8 HG3 MET 1 HG1 MET 1 -20.210 5.210 -3.062 9 HE1 MET 1 HE1 MET 1 -19.212 8.240 -3.794 10 HE2 MET 1 HE2 MET 1 -20.802 7.849 -3.127 11 HE3 MET 1 HE3 MET 1 -20.678 8.837 -4.577 12 H THR 2 HN THR 2 -15.449 3.184 -1.985 13 HA THR 2 HA THR 2 -13.553 5.397 -1.706 14 HB THR 2 HB THR 2 -14.088 3.490 0.636 15 HG1 THR 2 HG1 THR 2 -14.958 6.125 0.103 16 HG21 THR 2 HG21 THR 2 -12.539 4.943 1.898 17 HG22 THR 2 HG22 THR 2 -12.231 5.897 0.447 18 HG23 THR 2 HG23 THR 2 -11.725 4.205 0.517 19 H SER 3 HN SER 3 -11.956 4.634 -3.043 20 HA SER 3 HA SER 3 -11.182 1.801 -3.032 21 HB2 SER 3 HB2 SER 3 -9.732 2.330 -4.886 22 HB3 SER 3 HB1 SER 3 -11.237 3.190 -5.186 23 HG SER 3 HG SER 3 -10.199 5.017 -5.057 24 H THR 4 HN THR 4 -8.606 1.568 -3.078 25 HA THR 4 HA THR 4 -7.534 2.171 -0.544 26 HB THR 4 HB THR 4 -6.105 1.392 -3.119 27 HG1 THR 4 HG1 THR 4 -6.254 -0.675 -1.569 28 HG21 THR 4 HG21 THR 4 -5.122 1.173 -0.247 29 HG22 THR 4 HG22 THR 4 -4.480 2.261 -1.477 30 HG23 THR 4 HG23 THR 4 -4.306 0.518 -1.668 31 H PHE 5 HN PHE 5 -7.204 3.799 -3.707 32 HA PHE 5 HA PHE 5 -5.293 5.746 -3.007 33 HB2 PHE 5 HB2 PHE 5 -5.814 5.527 -5.351 34 HB3 PHE 5 HB1 PHE 5 -7.532 5.806 -5.070 35 HD1 PHE 5 HD1 PHE 5 -4.208 7.539 -4.672 36 HD2 PHE 5 HD2 PHE 5 -8.404 8.001 -5.413 37 HE1 PHE 5 HE1 PHE 5 -3.906 9.962 -4.953 38 HE2 PHE 5 HE2 PHE 5 -8.073 10.425 -5.708 39 HZ PHE 5 HZ PHE 5 -5.827 11.402 -5.469 40 H ASP 6 HN ASP 6 -8.843 5.787 -2.757 41 HA ASP 6 HA ASP 6 -9.202 8.442 -1.930 42 HB2 ASP 6 HB2 ASP 6 -10.890 5.962 -1.448 43 HB3 ASP 6 HB1 ASP 6 -11.395 7.561 -0.904 44 H ARG 7 HN ARG 7 -8.770 5.499 0.012 45 HA ARG 7 HA ARG 7 -8.857 6.615 2.593 46 HB2 ARG 7 HB2 ARG 7 -7.288 4.221 1.557 47 HB3 ARG 7 HB1 ARG 7 -7.469 4.610 3.267 48 HG2 ARG 7 HG2 ARG 7 -9.791 4.032 1.403 49 HG3 ARG 7 HG1 ARG 7 -9.013 2.821 2.422 50 HD2 ARG 7 HD2 ARG 7 -10.336 5.350 3.489 51 HD3 ARG 7 HD1 ARG 7 -11.117 3.772 3.397 52 HE ARG 7 HE ARG 7 -9.004 3.103 4.814 53 HH11 ARG 7 HH11 ARG 7 -10.999 5.963 5.240 54 HH12 ARG 7 HH12 ARG 7 -10.695 6.049 6.942 55 HH21 ARG 7 HH21 ARG 7 -8.695 3.176 7.044 56 HH22 ARG 7 HH22 ARG 7 -9.413 4.453 7.969 57 H VAL 8 HN VAL 8 -6.057 5.999 0.466 58 HA VAL 8 HA VAL 8 -4.036 6.952 2.190 59 HB VAL 8 HB VAL 8 -4.073 6.584 -0.841 60 HG11 VAL 8 HG11 VAL 8 -2.303 8.231 -0.311 61 HG12 VAL 8 HG12 VAL 8 -1.592 6.693 -0.797 62 HG13 VAL 8 HG13 VAL 8 -1.633 7.142 0.909 63 HG21 VAL 8 HG21 VAL 8 -2.874 4.873 1.377 64 HG22 VAL 8 HG22 VAL 8 -2.820 4.514 -0.350 65 HG23 VAL 8 HG23 VAL 8 -4.365 4.518 0.500 66 H ALA 9 HN ALA 9 -5.999 8.606 -0.241 67 HA ALA 9 HA ALA 9 -4.584 11.030 -0.437 68 HB1 ALA 9 HB1 ALA 9 -6.666 11.922 -1.451 69 HB2 ALA 9 HB2 ALA 9 -7.544 10.485 -0.914 70 HB3 ALA 9 HB3 ALA 9 -6.258 10.337 -2.114 71 H THR 10 HN THR 10 -7.365 10.043 1.536 72 HA THR 10 HA THR 10 -7.697 12.434 3.004 73 HB THR 10 HB THR 10 -8.428 9.615 3.910 74 HG1 THR 10 HG1 THR 10 -10.077 11.414 2.468 75 HG21 THR 10 HG21 THR 10 -10.282 10.725 5.115 76 HG22 THR 10 HG22 THR 10 -9.691 12.302 4.592 77 HG23 THR 10 HG23 THR 10 -8.721 11.317 5.691 78 H ILE 11 HN ILE 11 -5.780 9.488 3.624 79 HA ILE 11 HA ILE 11 -4.731 10.077 6.144 80 HB ILE 11 HB ILE 11 -3.633 8.449 3.817 81 HG12 ILE 11 HG12 ILE 11 -4.722 7.601 6.544 82 HG13 ILE 11 HG11 ILE 11 -5.625 7.573 5.033 83 HG21 ILE 11 HG21 ILE 11 -1.888 7.503 5.305 84 HG22 ILE 11 HG22 ILE 11 -2.304 8.698 6.536 85 HG23 ILE 11 HG23 ILE 11 -1.638 9.221 4.988 86 HD11 ILE 11 HD11 ILE 11 -4.081 5.876 4.155 87 HD12 ILE 11 HD12 ILE 11 -4.883 5.356 5.637 88 HD13 ILE 11 HD13 ILE 11 -3.204 5.893 5.688 89 H ILE 12 HN ILE 12 -3.503 11.028 2.906 90 HA ILE 12 HA ILE 12 -1.069 12.205 3.784 91 HB ILE 12 HB ILE 12 -2.705 12.551 1.236 92 HG12 ILE 12 HG12 ILE 12 -0.102 11.036 1.717 93 HG13 ILE 12 HG11 ILE 12 -1.693 10.290 1.642 94 HG21 ILE 12 HG21 ILE 12 -0.732 13.618 0.189 95 HG22 ILE 12 HG22 ILE 12 0.080 13.648 1.755 96 HG23 ILE 12 HG23 ILE 12 -1.387 14.597 1.503 97 HD11 ILE 12 HD11 ILE 12 -0.315 11.734 -0.620 98 HD12 ILE 12 HD12 ILE 12 -1.911 10.983 -0.692 99 HD13 ILE 12 HD13 ILE 12 -0.479 9.991 -0.428 100 H ALA 13 HN ALA 13 -4.296 13.520 3.112 101 HA ALA 13 HA ALA 13 -3.914 16.225 3.609 102 HB1 ALA 13 HB1 ALA 13 -6.338 16.319 4.077 103 HB2 ALA 13 HB2 ALA 13 -6.378 14.560 4.242 104 HB3 ALA 13 HB3 ALA 13 -5.999 15.293 2.680 105 H GLU 14 HN GLU 14 -4.664 13.620 5.940 106 HA GLU 14 HA GLU 14 -4.795 15.327 8.233 107 HB2 GLU 14 HB2 GLU 14 -4.622 12.299 7.961 108 HB3 GLU 14 HB1 GLU 14 -4.892 13.139 9.488 109 HG2 GLU 14 HG2 GLU 14 -6.723 13.234 7.071 110 HG3 GLU 14 HG1 GLU 14 -6.987 12.259 8.517 111 H THR 15 HN THR 15 -2.214 13.454 6.721 112 HA THR 15 HA THR 15 -0.501 13.426 9.045 113 HB THR 15 HB THR 15 0.203 12.707 6.158 114 HG1 THR 15 HG1 THR 15 -0.973 11.003 6.524 115 HG21 THR 15 HG21 THR 15 1.565 11.985 8.781 116 HG22 THR 15 HG22 THR 15 2.219 13.040 7.527 117 HG23 THR 15 HG23 THR 15 1.989 11.321 7.200 118 H CYS 16 HN CYS 16 -0.159 15.008 5.796 119 HA CYS 16 HA CYS 16 2.035 16.666 6.908 120 HB2 CYS 16 HB2 CYS 16 1.621 15.548 4.106 121 HB3 CYS 16 HB1 CYS 16 2.924 16.652 4.550 122 HG CYS 16 HG CYS 16 4.331 14.952 6.069 123 H ASP 17 HN ASP 17 -1.090 17.033 6.260 124 HA ASP 17 HA ASP 17 -2.534 18.613 5.603 125 HB2 ASP 17 HB2 ASP 17 -1.426 19.851 7.418 126 HB3 ASP 17 HB1 ASP 17 -0.237 20.483 6.288 127 H ILE 18 HN ILE 18 -2.174 17.567 3.420 128 HA ILE 18 HA ILE 18 -1.800 19.768 1.470 129 HB ILE 18 HB ILE 18 -1.727 16.765 0.831 130 HG12 ILE 18 HG12 ILE 18 0.701 17.351 0.037 131 HG13 ILE 18 HG11 ILE 18 0.546 18.788 1.035 132 HG21 ILE 18 HG21 ILE 18 -2.753 18.044 -0.986 133 HG22 ILE 18 HG22 ILE 18 -1.171 17.449 -1.483 134 HG23 ILE 18 HG23 ILE 18 -1.367 19.143 -1.033 135 HD11 ILE 18 HD11 ILE 18 0.349 15.946 1.984 136 HD12 ILE 18 HD12 ILE 18 0.259 17.395 2.990 137 HD13 ILE 18 HD13 ILE 18 1.744 17.009 2.125 138 HA PRO 19 HA PRO 19 -6.348 19.676 1.549 139 HB2 PRO 19 HB2 PRO 19 -6.070 20.677 -1.289 140 HB3 PRO 19 HB1 PRO 19 -7.052 21.318 0.040 141 HG2 PRO 19 HG2 PRO 19 -4.787 22.537 -0.674 142 HG3 PRO 19 HG1 PRO 19 -5.231 22.394 1.038 143 HD2 PRO 19 HD2 PRO 19 -3.204 20.819 -0.533 144 HD3 PRO 19 HD1 PRO 19 -3.119 21.410 1.142 145 H ARG 20 HN ARG 20 -7.464 17.835 1.293 146 HA ARG 20 HA ARG 20 -6.670 15.620 -0.190 147 HB2 ARG 20 HB2 ARG 20 -8.254 15.814 1.858 148 HB3 ARG 20 HB1 ARG 20 -9.537 16.104 0.699 149 HG2 ARG 20 HG2 ARG 20 -7.829 13.585 0.747 150 HG3 ARG 20 HG1 ARG 20 -9.366 13.743 1.596 151 HD2 ARG 20 HD2 ARG 20 -10.418 14.262 -0.646 152 HD3 ARG 20 HD1 ARG 20 -8.887 13.802 -1.389 153 HE ARG 20 HE ARG 20 -10.133 11.838 0.365 154 HH11 ARG 20 HH11 ARG 20 -9.453 12.841 -2.934 155 HH12 ARG 20 HH12 ARG 20 -10.118 11.400 -3.626 156 HH21 ARG 20 HH21 ARG 20 -10.982 9.984 -0.559 157 HH22 ARG 20 HH22 ARG 20 -11.001 9.791 -2.282 158 H GLU 21 HN GLU 21 -8.693 18.332 -1.150 159 HA GLU 21 HA GLU 21 -9.900 17.157 -3.464 160 HB2 GLU 21 HB2 GLU 21 -10.573 19.472 -4.017 161 HB3 GLU 21 HB1 GLU 21 -10.896 19.101 -2.327 162 HG2 GLU 21 HG2 GLU 21 -8.874 20.347 -1.659 163 HG3 GLU 21 HG1 GLU 21 -8.532 20.707 -3.350 164 H THR 22 HN THR 22 -6.829 18.763 -2.836 165 HA THR 22 HA THR 22 -6.162 19.016 -5.684 166 HB THR 22 HB THR 22 -4.087 20.138 -4.945 167 HG1 THR 22 HG1 THR 22 -4.372 18.822 -2.715 168 HG21 THR 22 HG21 THR 22 -6.127 21.530 -5.122 169 HG22 THR 22 HG22 THR 22 -5.054 22.121 -3.853 170 HG23 THR 22 HG23 THR 22 -6.501 21.203 -3.428 171 H ILE 23 HN ILE 23 -6.179 16.434 -3.637 172 HA ILE 23 HA ILE 23 -3.553 15.328 -4.376 173 HB ILE 23 HB ILE 23 -5.741 14.322 -2.485 174 HG12 ILE 23 HG12 ILE 23 -2.951 15.412 -1.888 175 HG13 ILE 23 HG11 ILE 23 -4.451 16.309 -1.675 176 HG21 ILE 23 HG21 ILE 23 -4.589 12.401 -3.485 177 HG22 ILE 23 HG22 ILE 23 -4.152 12.563 -1.783 178 HG23 ILE 23 HG23 ILE 23 -3.025 13.081 -3.039 179 HD11 ILE 23 HD11 ILE 23 -3.630 13.828 -0.164 180 HD12 ILE 23 HD12 ILE 23 -5.149 14.707 0.053 181 HD13 ILE 23 HD13 ILE 23 -3.610 15.485 0.435 182 H THR 24 HN THR 24 -3.721 14.783 -6.488 183 HA THR 24 HA THR 24 -6.060 13.366 -7.575 184 HB THR 24 HB THR 24 -4.919 13.897 -9.811 185 HG1 THR 24 HG1 THR 24 -3.415 15.899 -8.631 186 HG21 THR 24 HG21 THR 24 -6.759 15.319 -8.949 187 HG22 THR 24 HG22 THR 24 -5.560 16.277 -9.823 188 HG23 THR 24 HG23 THR 24 -5.584 16.293 -8.058 189 HA PRO 25 HA PRO 25 -4.054 9.393 -7.646 190 HB2 PRO 25 HB2 PRO 25 -4.844 8.297 -10.072 191 HB3 PRO 25 HB1 PRO 25 -5.890 8.413 -8.650 192 HG2 PRO 25 HG2 PRO 25 -5.720 10.260 -11.032 193 HG3 PRO 25 HG1 PRO 25 -7.164 9.609 -10.224 194 HD2 PRO 25 HD2 PRO 25 -6.323 12.116 -9.730 195 HD3 PRO 25 HD1 PRO 25 -6.990 11.111 -8.421 196 H GLU 26 HN GLU 26 -3.463 11.487 -10.450 197 HA GLU 26 HA GLU 26 -1.123 9.912 -11.310 198 HB2 GLU 26 HB2 GLU 26 -2.517 12.285 -12.629 199 HB3 GLU 26 HB1 GLU 26 -1.212 11.335 -13.336 200 HG2 GLU 26 HG2 GLU 26 -2.647 9.375 -13.472 201 HG3 GLU 26 HG1 GLU 26 -3.936 10.215 -12.610 202 H SER 27 HN SER 27 -1.545 11.921 -8.936 203 HA SER 27 HA SER 27 0.469 13.969 -9.398 204 HB2 SER 27 HB2 SER 27 -1.408 14.542 -7.937 205 HB3 SER 27 HB1 SER 27 -1.088 13.156 -6.896 206 HG SER 27 HG SER 27 -0.008 15.616 -6.838 207 H HIS 28 HN HIS 28 2.540 13.889 -8.701 208 HA HIS 28 HA HIS 28 3.610 11.420 -7.545 209 HB2 HIS 28 HB2 HIS 28 4.663 12.630 -9.580 210 HB3 HIS 28 HB1 HIS 28 5.177 13.880 -8.453 211 HD2 HIS 28 HD2 HIS 28 6.195 10.383 -9.671 212 HE1 HIS 28 HE1 HIS 28 8.821 11.478 -6.561 213 HE2 HIS 28 HE2 HIS 28 8.436 9.928 -8.507 214 H ALA 29 HN ALA 29 3.654 11.360 -5.315 215 HA ALA 29 HA ALA 29 2.991 13.335 -3.556 216 HB1 ALA 29 HB1 ALA 29 3.943 11.913 -1.797 217 HB2 ALA 29 HB2 ALA 29 4.851 11.001 -3.009 218 HB3 ALA 29 HB3 ALA 29 3.088 10.949 -3.000 219 H ILE 30 HN ILE 30 6.149 12.916 -5.030 220 HA ILE 30 HA ILE 30 7.478 14.612 -3.010 221 HB ILE 30 HB ILE 30 8.587 12.813 -5.203 222 HG12 ILE 30 HG12 ILE 30 8.642 12.577 -2.161 223 HG13 ILE 30 HG11 ILE 30 7.725 11.567 -3.273 224 HG21 ILE 30 HG21 ILE 30 10.079 14.739 -5.016 225 HG22 ILE 30 HG22 ILE 30 10.855 13.289 -4.376 226 HG23 ILE 30 HG23 ILE 30 10.204 14.504 -3.269 227 HD11 ILE 30 HD11 ILE 30 10.730 11.670 -3.016 228 HD12 ILE 30 HD12 ILE 30 9.835 10.674 -4.168 229 HD13 ILE 30 HD13 ILE 30 9.657 10.396 -2.437 230 H ASP 31 HN ASP 31 7.139 14.307 -6.606 231 HA ASP 31 HA ASP 31 8.420 16.891 -7.046 232 HB2 ASP 31 HB2 ASP 31 7.418 14.728 -8.927 233 HB3 ASP 31 HB1 ASP 31 7.995 16.280 -9.529 234 H ASP 32 HN ASP 32 5.205 15.996 -6.464 235 HA ASP 32 HA ASP 32 4.198 18.410 -7.880 236 HB2 ASP 32 HB2 ASP 32 3.283 16.291 -8.848 237 HB3 ASP 32 HB1 ASP 32 2.626 15.862 -7.278 238 H LEU 33 HN LEU 33 3.248 16.221 -5.180 239 HA LEU 33 HA LEU 33 1.810 18.273 -3.788 240 HB2 LEU 33 HB2 LEU 33 2.745 15.555 -2.803 241 HB3 LEU 33 HB1 LEU 33 1.632 16.607 -1.941 242 HG LEU 33 HG LEU 33 1.118 15.173 -4.575 243 HD11 LEU 33 HD11 LEU 33 -0.608 13.972 -3.299 244 HD12 LEU 33 HD12 LEU 33 -0.114 14.811 -1.826 245 HD13 LEU 33 HD13 LEU 33 1.007 13.715 -2.640 246 HD21 LEU 33 HD21 LEU 33 0.045 17.363 -4.682 247 HD22 LEU 33 HD22 LEU 33 -0.723 17.100 -3.116 248 HD23 LEU 33 HD23 LEU 33 -1.172 16.099 -4.500 249 H GLY 34 HN GLY 34 5.132 17.446 -3.895 250 HA2 GLY 34 HA2 GLY 34 7.001 18.299 -2.879 251 HA3 GLY 34 HA1 GLY 34 5.981 19.601 -2.283 252 H ILE 35 HN ILE 35 5.570 16.188 -1.578 253 HA ILE 35 HA ILE 35 5.846 16.594 1.298 254 HB ILE 35 HB ILE 35 5.251 14.043 -0.282 255 HG12 ILE 35 HG12 ILE 35 3.258 15.811 1.193 256 HG13 ILE 35 HG11 ILE 35 3.505 15.854 -0.549 257 HG21 ILE 35 HG21 ILE 35 4.475 13.098 1.865 258 HG22 ILE 35 HG22 ILE 35 4.949 14.577 2.698 259 HG23 ILE 35 HG23 ILE 35 6.177 13.554 1.950 260 HD11 ILE 35 HD11 ILE 35 1.551 14.559 0.024 261 HD12 ILE 35 HD12 ILE 35 2.515 13.499 1.048 262 HD13 ILE 35 HD13 ILE 35 2.779 13.516 -0.698 263 H ASP 36 HN ASP 36 7.830 16.421 2.199 264 HA ASP 36 HA ASP 36 10.088 15.356 0.772 265 HB2 ASP 36 HB2 ASP 36 9.773 16.382 3.623 266 HB3 ASP 36 HB1 ASP 36 11.308 15.812 2.970 267 H SER 37 HN SER 37 11.606 13.900 2.190 268 HA SER 37 HA SER 37 10.491 11.357 1.723 269 HB2 SER 37 HB2 SER 37 12.850 12.030 1.354 270 HB3 SER 37 HB1 SER 37 13.084 12.089 3.103 271 H LEU 38 HN LEU 38 11.624 12.863 4.799 272 HA LEU 38 HA LEU 38 10.966 10.657 6.477 273 HB2 LEU 38 HB2 LEU 38 11.231 13.569 7.321 274 HB3 LEU 38 HB1 LEU 38 11.321 12.168 8.381 275 HG LEU 38 HG LEU 38 13.336 12.849 6.196 276 HD11 LEU 38 HD11 LEU 38 13.618 13.137 9.205 277 HD12 LEU 38 HD12 LEU 38 13.442 14.453 8.040 278 HD13 LEU 38 HD13 LEU 38 14.878 13.435 8.000 279 HD21 LEU 38 HD21 LEU 38 13.188 10.430 6.546 280 HD22 LEU 38 HD22 LEU 38 13.430 10.639 8.285 281 HD23 LEU 38 HD23 LEU 38 14.724 11.052 7.152 282 H ASP 39 HN ASP 39 9.159 13.478 5.394 283 HA ASP 39 HA ASP 39 6.798 13.164 6.937 284 HB2 ASP 39 HB2 ASP 39 7.165 14.315 4.134 285 HB3 ASP 39 HB1 ASP 39 5.656 14.406 5.032 286 H PHE 40 HN PHE 40 7.812 11.820 3.802 287 HA PHE 40 HA PHE 40 5.337 10.558 3.142 288 HB2 PHE 40 HB2 PHE 40 7.076 11.231 1.448 289 HB3 PHE 40 HB1 PHE 40 8.142 9.975 2.070 290 HD1 PHE 40 HD1 PHE 40 4.787 10.502 0.499 291 HD2 PHE 40 HD2 PHE 40 8.016 7.773 1.157 292 HE1 PHE 40 HE1 PHE 40 3.773 8.911 -1.075 293 HE2 PHE 40 HE2 PHE 40 6.992 6.182 -0.418 294 HZ PHE 40 HZ PHE 40 4.871 6.752 -1.539 295 H LEU 41 HN LEU 41 8.209 9.572 4.924 296 HA LEU 41 HA LEU 41 7.718 6.781 5.151 297 HB2 LEU 41 HB2 LEU 41 9.153 8.671 7.060 298 HB3 LEU 41 HB1 LEU 41 9.226 6.915 7.151 299 HG LEU 41 HG LEU 41 10.290 8.609 4.861 300 HD11 LEU 41 HD11 LEU 41 11.805 7.113 7.018 301 HD12 LEU 41 HD12 LEU 41 11.651 8.868 6.864 302 HD13 LEU 41 HD13 LEU 41 12.519 7.952 5.634 303 HD21 LEU 41 HD21 LEU 41 11.245 6.525 3.987 304 HD22 LEU 41 HD22 LEU 41 9.489 6.455 4.050 305 HD23 LEU 41 HD23 LEU 41 10.447 5.608 5.270 306 H ASP 42 HN ASP 42 6.797 9.578 7.123 307 HA ASP 42 HA ASP 42 5.395 8.126 9.150 308 HB2 ASP 42 HB2 ASP 42 6.406 10.446 9.424 309 HB3 ASP 42 HB1 ASP 42 5.079 11.081 8.453 310 H ILE 43 HN ILE 43 4.461 9.579 6.059 311 HA ILE 43 HA ILE 43 1.648 9.166 6.225 312 HB ILE 43 HB ILE 43 3.452 9.221 3.758 313 HG12 ILE 43 HG12 ILE 43 1.640 11.344 4.986 314 HG13 ILE 43 HG11 ILE 43 3.396 11.377 4.919 315 HG21 ILE 43 HG21 ILE 43 0.405 9.271 3.808 316 HG22 ILE 43 HG22 ILE 43 1.407 7.944 3.221 317 HG23 ILE 43 HG23 ILE 43 1.420 9.489 2.376 318 HD11 ILE 43 HD11 ILE 43 1.499 11.605 2.590 319 HD12 ILE 43 HD12 ILE 43 3.260 11.547 2.458 320 HD13 ILE 43 HD13 ILE 43 2.482 12.884 3.303 321 H ALA 44 HN ALA 44 4.370 7.060 5.256 322 HA ALA 44 HA ALA 44 2.716 4.921 4.272 323 HB1 ALA 44 HB1 ALA 44 5.674 4.976 4.986 324 HB2 ALA 44 HB2 ALA 44 4.997 5.304 3.389 325 HB3 ALA 44 HB3 ALA 44 4.853 3.689 4.090 326 H PHE 45 HN PHE 45 4.116 5.880 7.323 327 HA PHE 45 HA PHE 45 3.639 3.490 8.824 328 HB2 PHE 45 HB2 PHE 45 4.484 6.298 9.415 329 HB3 PHE 45 HB1 PHE 45 3.610 5.521 10.722 330 HD1 PHE 45 HD1 PHE 45 4.471 3.405 11.710 331 HD2 PHE 45 HD2 PHE 45 6.798 5.700 8.961 332 HE1 PHE 45 HE1 PHE 45 6.491 2.264 12.478 333 HE2 PHE 45 HE2 PHE 45 8.833 4.545 9.732 334 HZ PHE 45 HZ PHE 45 8.684 2.826 11.491 335 H ALA 46 HN ALA 46 1.712 6.344 8.061 336 HA ALA 46 HA ALA 46 -0.501 5.718 9.795 337 HB1 ALA 46 HB1 ALA 46 -1.698 7.474 8.533 338 HB2 ALA 46 HB2 ALA 46 -0.378 7.534 7.363 339 HB3 ALA 46 HB3 ALA 46 -0.096 8.026 9.034 340 H ILE 47 HN ILE 47 0.286 5.164 6.401 341 HA ILE 47 HA ILE 47 -2.052 3.796 5.564 342 HB ILE 47 HB ILE 47 0.826 3.752 4.549 343 HG12 ILE 47 HG12 ILE 47 -1.635 5.105 3.353 344 HG13 ILE 47 HG11 ILE 47 -0.443 5.924 4.355 345 HG21 ILE 47 HG21 ILE 47 -1.588 2.510 3.194 346 HG22 ILE 47 HG22 ILE 47 -0.201 1.641 3.860 347 HG23 ILE 47 HG23 ILE 47 0.010 2.702 2.468 348 HD11 ILE 47 HD11 ILE 47 0.100 4.656 1.668 349 HD12 ILE 47 HD12 ILE 47 1.271 5.516 2.669 350 HD13 ILE 47 HD13 ILE 47 -0.109 6.379 1.987 351 H ASP 48 HN ASP 48 1.049 2.711 6.888 352 HA ASP 48 HA ASP 48 0.933 -0.033 6.793 353 HB2 ASP 48 HB2 ASP 48 2.862 1.346 7.598 354 HB3 ASP 48 HB1 ASP 48 1.976 1.741 9.054 355 H LYS 49 HN LYS 49 -0.163 2.044 9.468 356 HA LYS 49 HA LYS 49 -1.305 -0.033 11.040 357 HB2 LYS 49 HB2 LYS 49 -1.650 2.992 11.164 358 HB3 LYS 49 HB1 LYS 49 -2.176 1.875 12.428 359 HG2 LYS 49 HG2 LYS 49 0.145 1.190 12.828 360 HG3 LYS 49 HG1 LYS 49 0.698 2.207 11.491 361 HD2 LYS 49 HD2 LYS 49 -0.018 4.223 12.701 362 HD3 LYS 49 HD1 LYS 49 -0.642 3.234 14.026 363 HE2 LYS 49 HE2 LYS 49 1.535 4.184 14.614 364 HE3 LYS 49 HE1 LYS 49 1.671 2.431 14.478 365 HZ1 LYS 49 HZ1 LYS 49 2.427 4.370 12.364 366 HZ2 LYS 49 HZ2 LYS 49 2.646 2.693 12.306 367 HZ3 LYS 49 HZ3 LYS 49 3.511 3.624 13.424 368 H ALA 50 HN ALA 50 -2.754 2.425 8.874 369 HA ALA 50 HA ALA 50 -5.454 2.004 9.439 370 HB1 ALA 50 HB1 ALA 50 -4.646 3.963 8.171 371 HB2 ALA 50 HB2 ALA 50 -5.949 3.138 7.311 372 HB3 ALA 50 HB3 ALA 50 -4.274 2.924 6.792 373 H PHE 51 HN PHE 51 -3.531 0.603 6.787 374 HA PHE 51 HA PHE 51 -5.692 -1.182 5.961 375 HB2 PHE 51 HB2 PHE 51 -2.887 -0.726 4.871 376 HB3 PHE 51 HB1 PHE 51 -4.045 -1.841 4.160 377 HD1 PHE 51 HD2 PHE 51 -3.280 1.736 4.726 378 HD2 PHE 51 HD1 PHE 51 -5.896 -1.060 2.824 379 HE1 PHE 51 HE2 PHE 51 -4.176 3.534 3.305 380 HE2 PHE 51 HE1 PHE 51 -6.794 0.744 1.416 381 HZ PHE 51 HZ PHE 51 -5.928 3.036 1.648 382 H GLY 52 HN GLY 52 -3.258 -1.352 8.277 383 HA2 GLY 52 HA2 GLY 52 -2.494 -3.044 9.616 384 HA3 GLY 52 HA1 GLY 52 -3.643 -4.117 8.835 385 H ILE 53 HN ILE 53 -1.408 -2.479 6.785 386 HA ILE 53 HA ILE 53 0.061 -4.989 6.291 387 HB ILE 53 HB ILE 53 0.594 -3.965 4.015 388 HG12 ILE 53 HG12 ILE 53 -1.257 -2.182 3.279 389 HG13 ILE 53 HG11 ILE 53 -1.329 -1.807 4.991 390 HG21 ILE 53 HG21 ILE 53 -2.332 -4.491 4.626 391 HG22 ILE 53 HG22 ILE 53 -1.092 -5.699 4.277 392 HG23 ILE 53 HG23 ILE 53 -1.582 -4.556 3.028 393 HD11 ILE 53 HD11 ILE 53 0.075 -0.257 3.776 394 HD12 ILE 53 HD12 ILE 53 1.101 -1.582 3.232 395 HD13 ILE 53 HD13 ILE 53 1.028 -1.170 4.946 396 H LYS 54 HN LYS 54 2.256 -4.286 5.081 397 HA LYS 54 HA LYS 54 3.538 -1.993 6.374 398 HB2 LYS 54 HB2 LYS 54 4.072 -4.014 7.756 399 HB3 LYS 54 HB1 LYS 54 4.771 -4.789 6.338 400 HG2 LYS 54 HG2 LYS 54 6.554 -3.150 6.239 401 HG3 LYS 54 HG1 LYS 54 5.774 -2.165 7.482 402 HD2 LYS 54 HD2 LYS 54 6.148 -3.938 9.153 403 HD3 LYS 54 HD1 LYS 54 6.885 -4.969 7.923 404 HE2 LYS 54 HE2 LYS 54 8.558 -3.832 9.376 405 HE3 LYS 54 HE1 LYS 54 8.739 -3.408 7.676 406 HZ1 LYS 54 HZ1 LYS 54 8.932 -1.457 9.024 407 HZ2 LYS 54 HZ2 LYS 54 7.451 -1.765 9.779 408 HZ3 LYS 54 HZ3 LYS 54 7.494 -1.355 8.140 409 H LEU 55 HN LEU 55 4.148 -0.771 4.677 410 HA LEU 55 HA LEU 55 4.694 -1.857 2.079 411 HB2 LEU 55 HB2 LEU 55 5.258 0.943 3.158 412 HB3 LEU 55 HB1 LEU 55 5.332 0.463 1.466 413 HG LEU 55 HG LEU 55 2.820 0.579 3.192 414 HD11 LEU 55 HD11 LEU 55 3.607 2.805 2.535 415 HD12 LEU 55 HD12 LEU 55 2.108 2.400 1.703 416 HD13 LEU 55 HD13 LEU 55 3.644 2.316 0.835 417 HD21 LEU 55 HD21 LEU 55 2.711 -1.303 1.607 418 HD22 LEU 55 HD22 LEU 55 3.050 -0.208 0.265 419 HD23 LEU 55 HD23 LEU 55 1.559 -0.037 1.194 420 HA PRO 56 HA PRO 56 9.181 -2.480 2.851 421 HB2 PRO 56 HB2 PRO 56 9.284 -3.120 -0.055 422 HB3 PRO 56 HB1 PRO 56 9.697 -4.137 1.330 423 HG2 PRO 56 HG2 PRO 56 7.497 -4.623 -0.132 424 HG3 PRO 56 HG1 PRO 56 7.508 -4.870 1.628 425 HD2 PRO 56 HD2 PRO 56 6.437 -2.509 0.062 426 HD3 PRO 56 HD1 PRO 56 5.662 -3.440 1.370 427 H LEU 57 HN LEU 57 8.631 0.055 2.929 428 HA LEU 57 HA LEU 57 8.944 1.696 0.663 429 HB2 LEU 57 HB2 LEU 57 7.975 2.087 3.181 430 HB3 LEU 57 HB1 LEU 57 9.561 2.781 3.420 431 HG LEU 57 HG LEU 57 7.927 4.534 2.953 432 HD11 LEU 57 HD11 LEU 57 8.975 5.727 1.109 433 HD12 LEU 57 HD12 LEU 57 9.758 4.241 0.563 434 HD13 LEU 57 HD13 LEU 57 10.188 4.941 2.124 435 HD21 LEU 57 HD21 LEU 57 7.366 3.152 0.315 436 HD22 LEU 57 HD22 LEU 57 6.668 4.679 0.868 437 HD23 LEU 57 HD23 LEU 57 6.295 3.182 1.719 438 H GLU 58 HN GLU 58 11.214 0.510 3.102 439 HA GLU 58 HA GLU 58 13.519 2.014 2.486 440 HB2 GLU 58 HB2 GLU 58 13.359 -0.879 3.449 441 HB3 GLU 58 HB1 GLU 58 14.781 0.156 3.566 442 HG2 GLU 58 HG2 GLU 58 13.708 1.573 5.179 443 HG3 GLU 58 HG1 GLU 58 12.148 0.797 4.914 444 H LYS 59 HN LYS 59 12.360 -1.101 1.217 445 HA LYS 59 HA LYS 59 14.519 -1.655 -0.543 446 HB2 LYS 59 HB2 LYS 59 12.964 -3.437 0.147 447 HB3 LYS 59 HB1 LYS 59 11.625 -2.613 -0.644 448 HG2 LYS 59 HG2 LYS 59 12.705 -2.988 -2.852 449 HG3 LYS 59 HG1 LYS 59 14.042 -3.820 -2.053 450 HD2 LYS 59 HD2 LYS 59 11.132 -4.735 -1.992 451 HD3 LYS 59 HD1 LYS 59 12.363 -5.373 -3.085 452 HE2 LYS 59 HE2 LYS 59 13.651 -6.222 -1.170 453 HE3 LYS 59 HE1 LYS 59 12.478 -5.523 -0.050 454 HZ1 LYS 59 HZ1 LYS 59 11.901 -7.651 -2.036 455 HZ2 LYS 59 HZ2 LYS 59 10.800 -7.004 -0.928 456 HZ3 LYS 59 HZ3 LYS 59 12.130 -7.891 -0.379 457 H TRP 60 HN TRP 60 11.372 -0.107 -1.002 458 HA TRP 60 HA TRP 60 11.365 0.281 -3.779 459 HB2 TRP 60 HB2 TRP 60 10.008 1.892 -1.572 460 HB3 TRP 60 HB1 TRP 60 9.658 2.084 -3.288 461 HD1 TRP 60 HD1 TRP 60 10.015 -1.533 -2.904 462 HE1 TRP 60 HE1 TRP 60 7.738 -2.656 -2.544 463 HE3 TRP 60 HE3 TRP 60 7.223 2.610 -1.802 464 HZ2 TRP 60 HZ2 TRP 60 5.108 -1.913 -1.910 465 HZ3 TRP 60 HZ3 TRP 60 4.826 2.310 -1.341 466 HH2 TRP 60 HH2 TRP 60 3.794 0.102 -1.396 467 H THR 61 HN THR 61 12.503 2.348 -1.150 468 HA THR 61 HA THR 61 13.158 4.647 -2.660 469 HB THR 61 HB THR 61 14.306 3.717 0.008 470 HG1 THR 61 HG1 THR 61 11.909 4.186 -0.327 471 HG21 THR 61 HG21 THR 61 14.844 6.106 0.410 472 HG22 THR 61 HG22 THR 61 14.318 6.497 -1.229 473 HG23 THR 61 HG23 THR 61 15.735 5.474 -0.978 474 H GLN 62 HN GLN 62 15.031 1.723 -1.758 475 HA GLN 62 HA GLN 62 17.573 2.740 -2.605 476 HB2 GLN 62 HB2 GLN 62 16.620 -0.128 -2.160 477 HB3 GLN 62 HB1 GLN 62 18.300 0.330 -2.455 478 HG2 GLN 62 HG2 GLN 62 18.302 1.645 -0.362 479 HG3 GLN 62 HG1 GLN 62 16.619 1.201 -0.087 480 HE21 GLN 62 HE21 GLN 62 19.911 0.107 -0.018 481 HE22 GLN 62 HE22 GLN 62 19.626 -1.385 0.803 482 H GLU 63 HN GLU 63 15.044 0.702 -4.073 483 HA GLU 63 HA GLU 63 16.288 -0.011 -6.490 484 HB2 GLU 63 HB2 GLU 63 13.337 0.512 -5.908 485 HB3 GLU 63 HB1 GLU 63 13.934 -0.237 -7.388 486 HG2 GLU 63 HG2 GLU 63 14.789 -2.135 -6.135 487 HG3 GLU 63 HG1 GLU 63 14.322 -1.385 -4.609 488 H VAL 64 HN VAL 64 14.396 2.863 -5.644 489 HA VAL 64 HA VAL 64 14.362 4.153 -8.147 490 HB VAL 64 HB VAL 64 14.160 5.212 -5.300 491 HG11 VAL 64 HG11 VAL 64 13.783 6.844 -7.844 492 HG12 VAL 64 HG12 VAL 64 15.043 7.079 -6.630 493 HG13 VAL 64 HG13 VAL 64 13.354 7.381 -6.218 494 HG21 VAL 64 HG21 VAL 64 11.760 5.456 -5.849 495 HG22 VAL 64 HG22 VAL 64 12.298 3.796 -6.104 496 HG23 VAL 64 HG23 VAL 64 12.059 4.867 -7.488 497 H ASN 65 HN ASN 65 16.621 4.640 -5.386 498 HA ASN 65 HA ASN 65 18.344 6.456 -6.732 499 HB2 ASN 65 HB2 ASN 65 18.821 4.806 -4.216 500 HB3 ASN 65 HB1 ASN 65 19.923 6.051 -4.803 501 HD21 ASN 65 HD21 ASN 65 16.999 5.436 -3.115 502 HD22 ASN 65 HD22 ASN 65 16.585 7.071 -2.781 503 H ASP 66 HN ASP 66 18.301 2.941 -6.694 504 HA ASP 66 HA ASP 66 20.979 2.652 -7.782 505 HB2 ASP 66 HB2 ASP 66 18.723 0.672 -7.254 506 HB3 ASP 66 HB1 ASP 66 20.224 0.197 -8.035 507 H GLY 67 HN GLY 67 18.156 3.722 -9.124 508 HA2 GLY 67 HA2 GLY 67 17.308 3.888 -11.227 509 HA3 GLY 67 HA1 GLY 67 18.853 3.315 -11.823 510 H LYS 68 HN LYS 68 17.276 1.174 -9.647 511 HA LYS 68 HA LYS 68 16.701 -0.809 -11.667 512 HB2 LYS 68 HB2 LYS 68 15.969 -0.756 -8.706 513 HB3 LYS 68 HB1 LYS 68 15.864 -2.162 -9.758 514 HG2 LYS 68 HG2 LYS 68 18.468 -0.747 -9.090 515 HG3 LYS 68 HG1 LYS 68 17.826 -2.102 -8.173 516 HD2 LYS 68 HD2 LYS 68 19.372 -3.133 -9.584 517 HD3 LYS 68 HD1 LYS 68 17.852 -3.391 -10.432 518 HE2 LYS 68 HE2 LYS 68 19.629 -2.761 -11.997 519 HE3 LYS 68 HE1 LYS 68 18.404 -1.498 -11.945 520 HZ1 LYS 68 HZ1 LYS 68 21.045 -1.468 -10.599 521 HZ2 LYS 68 HZ2 LYS 68 19.861 -0.285 -10.381 522 HZ3 LYS 68 HZ3 LYS 68 20.559 -0.509 -11.900 523 H ALA 69 HN ALA 69 14.916 1.549 -9.835 524 HA ALA 69 HA ALA 69 12.451 1.068 -11.380 525 HB1 ALA 69 HB1 ALA 69 11.119 1.450 -9.334 526 HB2 ALA 69 HB2 ALA 69 12.598 1.582 -8.378 527 HB3 ALA 69 HB3 ALA 69 12.168 0.047 -9.133 528 H THR 70 HN THR 70 11.243 2.986 -11.711 529 HA THR 70 HA THR 70 12.679 5.509 -11.542 530 HB THR 70 HB THR 70 9.882 4.951 -12.651 531 HG1 THR 70 HG1 THR 70 11.305 3.677 -13.806 532 HG21 THR 70 HG21 THR 70 10.356 7.360 -12.304 533 HG22 THR 70 HG22 THR 70 10.264 6.973 -14.024 534 HG23 THR 70 HG23 THR 70 11.836 7.213 -13.254 535 H THR 71 HN THR 71 11.788 7.383 -10.465 536 HA THR 71 HA THR 71 10.725 7.157 -7.908 537 HB THR 71 HB THR 71 10.110 9.616 -8.144 538 HG1 THR 71 HG1 THR 71 11.140 10.321 -10.406 539 HG21 THR 71 HG21 THR 71 12.415 10.464 -8.562 540 HG22 THR 71 HG22 THR 71 12.872 8.870 -9.163 541 HG23 THR 71 HG23 THR 71 12.398 9.063 -7.477 542 H GLU 72 HN GLU 72 9.012 8.132 -10.885 543 HA GLU 72 HA GLU 72 6.405 8.211 -10.547 544 HB2 GLU 72 HB2 GLU 72 7.379 8.192 -12.755 545 HB3 GLU 72 HB1 GLU 72 7.946 6.541 -12.577 546 HG2 GLU 72 HG2 GLU 72 6.144 6.522 -14.123 547 HG3 GLU 72 HG1 GLU 72 5.568 5.774 -12.637 548 H GLN 73 HN GLN 73 8.076 5.099 -10.613 549 HA GLN 73 HA GLN 73 5.838 3.428 -10.719 550 HB2 GLN 73 HB2 GLN 73 8.097 2.735 -11.403 551 HB3 GLN 73 HB1 GLN 73 8.627 2.746 -9.726 552 HG2 GLN 73 HG2 GLN 73 7.221 0.857 -9.191 553 HG3 GLN 73 HG1 GLN 73 6.424 0.938 -10.760 554 HE21 GLN 73 HE21 GLN 73 9.360 0.026 -9.079 555 HE22 GLN 73 HE22 GLN 73 10.006 -0.948 -10.347 556 H TYR 74 HN TYR 74 7.434 4.750 -7.844 557 HA TYR 74 HA TYR 74 5.527 3.223 -6.134 558 HB2 TYR 74 HB2 TYR 74 8.332 4.176 -5.412 559 HB3 TYR 74 HB1 TYR 74 7.219 3.373 -4.308 560 HD1 TYR 74 HD2 TYR 74 6.166 1.088 -5.540 561 HD2 TYR 74 HD1 TYR 74 10.060 2.747 -6.141 562 HE1 TYR 74 HE2 TYR 74 6.992 -1.118 -6.243 563 HE2 TYR 74 HE1 TYR 74 10.884 0.544 -6.847 564 HH TYR 74 HH TYR 74 10.313 -1.820 -6.550 565 H PHE 75 HN PHE 75 6.724 6.443 -6.918 566 HA PHE 75 HA PHE 75 5.583 7.571 -4.438 567 HB2 PHE 75 HB2 PHE 75 7.509 8.823 -6.434 568 HB3 PHE 75 HB1 PHE 75 6.952 9.571 -4.942 569 HD1 PHE 75 HD2 PHE 75 7.228 7.348 -2.982 570 HD2 PHE 75 HD1 PHE 75 9.822 8.561 -6.154 571 HE1 PHE 75 HE2 PHE 75 9.159 6.422 -1.764 572 HE2 PHE 75 HE1 PHE 75 11.745 7.651 -4.930 573 HZ PHE 75 HZ PHE 75 11.421 6.573 -2.736 574 H VAL 76 HN VAL 76 4.394 6.969 -7.445 575 HA VAL 76 HA VAL 76 2.806 9.480 -7.520 576 HB VAL 76 HB VAL 76 3.036 7.242 -9.578 577 HG11 VAL 76 HG11 VAL 76 1.407 8.479 -10.981 578 HG12 VAL 76 HG12 VAL 76 1.113 9.608 -9.655 579 HG13 VAL 76 HG13 VAL 76 0.659 7.909 -9.485 580 HG21 VAL 76 HG21 VAL 76 3.827 9.062 -11.056 581 HG22 VAL 76 HG22 VAL 76 4.856 8.890 -9.631 582 HG23 VAL 76 HG23 VAL 76 3.679 10.204 -9.717 583 H LEU 77 HN LEU 77 0.778 9.448 -6.860 584 HA LEU 77 HA LEU 77 0.192 7.776 -4.752 585 HB2 LEU 77 HB2 LEU 77 -1.751 9.574 -6.229 586 HB3 LEU 77 HB1 LEU 77 -1.918 8.994 -4.573 587 HG LEU 77 HG LEU 77 0.245 10.877 -5.590 588 HD11 LEU 77 HD11 LEU 77 -2.093 11.439 -3.767 589 HD12 LEU 77 HD12 LEU 77 -1.936 11.934 -5.454 590 HD13 LEU 77 HD13 LEU 77 -0.831 12.574 -4.250 591 HD21 LEU 77 HD21 LEU 77 0.928 11.110 -3.221 592 HD22 LEU 77 HD22 LEU 77 1.168 9.475 -3.827 593 HD23 LEU 77 HD23 LEU 77 -0.203 9.827 -2.772 594 H LYS 78 HN LYS 78 -0.987 7.458 -8.082 595 HA LYS 78 HA LYS 78 -3.036 5.523 -7.451 596 HB2 LYS 78 HB2 LYS 78 -3.274 5.219 -9.875 597 HB3 LYS 78 HB1 LYS 78 -3.197 6.931 -9.476 598 HG2 LYS 78 HG2 LYS 78 -0.797 6.954 -10.163 599 HG3 LYS 78 HG1 LYS 78 -0.948 5.262 -10.647 600 HD2 LYS 78 HD2 LYS 78 -2.753 5.964 -12.268 601 HD3 LYS 78 HD1 LYS 78 -2.414 7.647 -11.845 602 HE2 LYS 78 HE2 LYS 78 -1.243 7.093 -13.900 603 HE3 LYS 78 HE1 LYS 78 -0.054 7.318 -12.614 604 HZ1 LYS 78 HZ1 LYS 78 -1.066 4.699 -13.604 605 HZ2 LYS 78 HZ2 LYS 78 0.090 4.907 -12.384 606 HZ3 LYS 78 HZ3 LYS 78 0.440 5.378 -13.971 607 H ASN 79 HN ASN 79 0.326 5.383 -8.515 608 HA ASN 79 HA ASN 79 0.480 2.527 -8.866 609 HB2 ASN 79 HB2 ASN 79 2.729 4.566 -8.520 610 HB3 ASN 79 HB1 ASN 79 2.936 2.905 -9.070 611 HD21 ASN 79 HD21 ASN 79 3.675 5.352 -10.415 612 HD22 ASN 79 HD22 ASN 79 2.852 5.354 -11.928 613 H LEU 80 HN LEU 80 1.308 4.816 -6.335 614 HA LEU 80 HA LEU 80 2.477 3.174 -4.408 615 HB2 LEU 80 HB2 LEU 80 2.547 5.633 -4.269 616 HB3 LEU 80 HB1 LEU 80 0.800 5.703 -4.117 617 HG LEU 80 HG LEU 80 0.985 4.543 -1.886 618 HD11 LEU 80 HD11 LEU 80 3.976 4.909 -2.238 619 HD12 LEU 80 HD12 LEU 80 3.101 3.374 -2.187 620 HD13 LEU 80 HD13 LEU 80 3.160 4.400 -0.757 621 HD21 LEU 80 HD21 LEU 80 0.757 6.977 -1.996 622 HD22 LEU 80 HD22 LEU 80 2.509 7.163 -2.102 623 HD23 LEU 80 HD23 LEU 80 1.774 6.507 -0.636 624 H ALA 81 HN ALA 81 -0.915 4.236 -4.854 625 HA ALA 81 HA ALA 81 -2.037 2.771 -2.692 626 HB1 ALA 81 HB1 ALA 81 -3.419 3.855 -5.170 627 HB2 ALA 81 HB2 ALA 81 -3.139 4.744 -3.672 628 HB3 ALA 81 HB3 ALA 81 -4.216 3.346 -3.675 629 H ALA 82 HN ALA 82 -1.370 1.969 -6.050 630 HA ALA 82 HA ALA 82 -2.958 -0.402 -6.209 631 HB1 ALA 82 HB1 ALA 82 -2.217 0.796 -8.228 632 HB2 ALA 82 HB2 ALA 82 -1.652 -0.874 -8.254 633 HB3 ALA 82 HB3 ALA 82 -0.532 0.429 -7.848 634 H ARG 83 HN ARG 83 0.423 0.303 -5.311 635 HA ARG 83 HA ARG 83 1.275 -2.390 -4.916 636 HB2 ARG 83 HB2 ARG 83 2.349 0.242 -3.817 637 HB3 ARG 83 HB1 ARG 83 3.095 -1.308 -3.453 638 HG2 ARG 83 HG2 ARG 83 2.920 0.063 -6.150 639 HG3 ARG 83 HG1 ARG 83 4.368 -0.285 -5.197 640 HD2 ARG 83 HD2 ARG 83 2.588 -2.242 -6.684 641 HD3 ARG 83 HD1 ARG 83 4.298 -1.913 -6.960 642 HE ARG 83 HE ARG 83 4.490 -2.881 -4.533 643 HH11 ARG 83 HH11 ARG 83 2.428 -4.126 -7.123 644 HH12 ARG 83 HH12 ARG 83 2.407 -5.731 -6.460 645 HH21 ARG 83 HH21 ARG 83 4.381 -4.991 -3.692 646 HH22 ARG 83 HH22 ARG 83 3.478 -6.208 -4.540 647 H ILE 84 HN ILE 84 -0.153 0.059 -2.780 648 HA ILE 84 HA ILE 84 0.118 -1.293 -0.305 649 HB ILE 84 HB ILE 84 -2.004 0.728 -1.179 650 HG12 ILE 84 HG12 ILE 84 0.528 1.260 0.439 651 HG13 ILE 84 HG11 ILE 84 0.455 1.457 -1.303 652 HG21 ILE 84 HG21 ILE 84 -2.763 -0.484 0.826 653 HG22 ILE 84 HG22 ILE 84 -2.359 1.184 1.237 654 HG23 ILE 84 HG23 ILE 84 -1.243 -0.123 1.646 655 HD11 ILE 84 HD11 ILE 84 -1.240 3.195 -1.035 656 HD12 ILE 84 HD12 ILE 84 0.245 3.567 -0.158 657 HD13 ILE 84 HD13 ILE 84 -1.169 2.981 0.717 658 H ASP 85 HN ASP 85 -2.599 -1.078 -2.585 659 HA ASP 85 HA ASP 85 -4.432 -2.756 -1.256 660 HB2 ASP 85 HB2 ASP 85 -5.025 -1.087 -3.001 661 HB3 ASP 85 HB1 ASP 85 -4.255 -2.091 -4.228 662 H GLU 86 HN GLU 86 -2.011 -3.423 -3.735 663 HA GLU 86 HA GLU 86 -2.498 -6.114 -4.275 664 HB2 GLU 86 HB2 GLU 86 -0.856 -4.337 -5.346 665 HB3 GLU 86 HB1 GLU 86 0.300 -4.910 -4.157 666 HG2 GLU 86 HG2 GLU 86 -1.079 -6.728 -6.135 667 HG3 GLU 86 HG1 GLU 86 0.414 -5.882 -6.515 668 H LEU 87 HN LEU 87 -0.550 -4.546 -1.740 669 HA LEU 87 HA LEU 87 0.378 -6.974 -0.523 670 HB2 LEU 87 HB2 LEU 87 0.456 -4.109 0.467 671 HB3 LEU 87 HB1 LEU 87 1.224 -5.457 1.296 672 HG LEU 87 HG LEU 87 1.943 -4.457 -1.491 673 HD11 LEU 87 HD11 LEU 87 3.471 -4.168 1.105 674 HD12 LEU 87 HD12 LEU 87 2.637 -2.885 0.225 675 HD13 LEU 87 HD13 LEU 87 4.033 -3.679 -0.495 676 HD21 LEU 87 HD21 LEU 87 3.844 -6.022 -1.391 677 HD22 LEU 87 HD22 LEU 87 2.303 -6.873 -1.326 678 HD23 LEU 87 HD23 LEU 87 3.251 -6.657 0.148 679 H VAL 88 HN VAL 88 -2.448 -4.915 -0.056 680 HA VAL 88 HA VAL 88 -3.257 -5.988 2.488 681 HB VAL 88 HB VAL 88 -4.967 -4.627 0.338 682 HG11 VAL 88 HG11 VAL 88 -5.655 -5.190 3.254 683 HG12 VAL 88 HG12 VAL 88 -6.380 -5.973 1.852 684 HG13 VAL 88 HG13 VAL 88 -6.649 -4.254 2.132 685 HG21 VAL 88 HG21 VAL 88 -3.748 -3.445 2.871 686 HG22 VAL 88 HG22 VAL 88 -4.786 -2.585 1.731 687 HG23 VAL 88 HG23 VAL 88 -3.195 -3.141 1.227 688 H ALA 89 HN ALA 89 -3.915 -6.746 -0.880 689 HA ALA 89 HA ALA 89 -5.826 -8.834 -0.478 690 HB1 ALA 89 HB1 ALA 89 -5.449 -9.327 -2.874 691 HB2 ALA 89 HB2 ALA 89 -4.046 -8.250 -2.882 692 HB3 ALA 89 HB3 ALA 89 -5.662 -7.594 -2.605 693 H ALA 90 HN ALA 90 -2.319 -8.744 -1.085 694 HA ALA 90 HA ALA 90 -1.833 -11.542 -1.102 695 HB1 ALA 90 HB1 ALA 90 0.109 -9.279 -0.471 696 HB2 ALA 90 HB2 ALA 90 -0.265 -9.895 -2.083 697 HB3 ALA 90 HB3 ALA 90 0.548 -10.933 -0.911 698 H LYS 91 HN LYS 91 -2.115 -9.187 1.475 699 HA LYS 91 HA LYS 91 -0.997 -10.767 3.615 700 HB2 LYS 91 HB2 LYS 91 -1.115 -8.303 3.766 701 HB3 LYS 91 HB1 LYS 91 -2.867 -8.354 3.633 702 HG2 LYS 91 HG2 LYS 91 -2.877 -9.655 5.829 703 HG3 LYS 91 HG1 LYS 91 -1.159 -9.282 5.967 704 HD2 LYS 91 HD2 LYS 91 -2.502 -7.693 7.275 705 HD3 LYS 91 HD1 LYS 91 -1.681 -6.865 5.953 706 HE2 LYS 91 HE2 LYS 91 -4.001 -6.064 6.221 707 HE3 LYS 91 HE1 LYS 91 -3.776 -6.838 4.651 708 HZ1 LYS 91 HZ1 LYS 91 -5.854 -7.489 5.717 709 HZ2 LYS 91 HZ2 LYS 91 -5.005 -8.119 7.037 710 HZ3 LYS 91 HZ3 LYS 91 -4.834 -8.823 5.510 711 H GLY 92 HN GLY 92 -4.220 -10.224 2.234 712 HA2 GLY 92 HA2 GLY 92 -5.605 -11.584 4.427 713 HA3 GLY 92 HA1 GLY 92 -6.335 -10.694 3.098 714 H ALA 93 HN ALA 93 -4.355 -12.292 1.333 715 HA ALA 93 HA ALA 93 -6.072 -13.988 0.068 716 HB1 ALA 93 HB1 ALA 93 -4.105 -15.031 -0.985 717 HB2 ALA 93 HB2 ALA 93 -3.063 -14.357 0.271 718 HB3 ALA 93 HB3 ALA 93 -3.896 -13.284 -0.853 719 H LEU 94 HN LEU 94 -3.659 -14.988 2.485 720 HA LEU 94 HA LEU 94 -3.347 -16.797 3.778 721 HB2 LEU 94 HB2 LEU 94 -6.387 -16.883 3.728 722 HB3 LEU 94 HB1 LEU 94 -5.373 -17.712 4.902 723 HG LEU 94 HG LEU 94 -5.547 -14.684 4.579 724 HD11 LEU 94 HD11 LEU 94 -7.641 -15.540 5.456 725 HD12 LEU 94 HD12 LEU 94 -6.767 -14.675 6.715 726 HD13 LEU 94 HD13 LEU 94 -6.791 -16.441 6.715 727 HD21 LEU 94 HD21 LEU 94 -3.352 -15.354 5.414 728 HD22 LEU 94 HD22 LEU 94 -4.097 -16.313 6.694 729 HD23 LEU 94 HD23 LEU 94 -4.273 -14.556 6.688 730 H GLU 95 HN GLU 95 -4.567 -19.275 4.058 731 HA GLU 95 HA GLU 95 -3.937 -20.536 1.469 732 HB2 GLU 95 HB2 GLU 95 -4.207 -21.769 4.245 733 HB3 GLU 95 HB1 GLU 95 -3.733 -22.634 2.783 734 HG2 GLU 95 HG2 GLU 95 -2.189 -20.426 4.188 735 HG3 GLU 95 HG1 GLU 95 -1.754 -22.132 4.089 736 H HIS 96 HN HIS 96 -6.542 -19.180 2.143 737 HA HIS 96 HA HIS 96 -8.231 -21.298 0.975 738 HB2 HIS 96 HB2 HIS 96 -9.052 -19.264 3.101 739 HB3 HIS 96 HB1 HIS 96 -10.232 -20.093 2.090 740 HD1 HIS 96 HD1 HIS 96 -9.275 -20.303 5.350 741 HD2 HIS 96 HD2 HIS 96 -9.281 -23.159 2.322 742 HE1 HIS 96 HE1 HIS 96 -9.361 -22.528 6.525 743 HE2 HIS 96 HE2 HIS 96 -9.511 -24.226 4.672 744 H HIS 97 HN HIS 97 -8.830 -20.757 -1.024 745 HA HIS 97 HA HIS 97 -8.261 -18.320 -2.312 746 HB2 HIS 97 HB2 HIS 97 -10.243 -20.509 -3.083 747 HB3 HIS 97 HB1 HIS 97 -9.776 -19.189 -4.151 748 HD1 HIS 97 HD1 HIS 97 -9.136 -22.572 -3.849 749 HD2 HIS 97 HD2 HIS 97 -6.640 -19.265 -4.232 750 HE1 HIS 97 HE1 HIS 97 -6.998 -23.456 -4.833 751 HE2 HIS 97 HE2 HIS 97 -5.569 -21.421 -5.188 752 H HIS 98 HN HIS 98 -9.392 -16.434 -2.527 753 HA HIS 98 HA HIS 98 -11.813 -16.068 -0.952 754 HB2 HIS 98 HB2 HIS 98 -10.061 -14.140 -2.533 755 HB3 HIS 98 HB1 HIS 98 -11.565 -13.634 -1.769 756 HD1 HIS 98 HD1 HIS 98 -10.585 -12.138 -0.008 757 HD2 HIS 98 HD2 HIS 98 -8.917 -15.937 0.013 758 HE1 HIS 98 HE1 HIS 98 -9.249 -12.270 2.115 759 HE2 HIS 98 HE2 HIS 98 -8.128 -14.521 2.011 760 H HIS 99 HN HIS 99 -10.999 -15.145 -4.310 761 HA HIS 99 HA HIS 99 -12.102 -15.086 -6.246 762 HB2 HIS 99 HB2 HIS 99 -12.747 -17.470 -5.784 763 HB3 HIS 99 HB1 HIS 99 -14.228 -16.899 -5.026 764 HD1 HIS 99 HD1 HIS 99 -16.174 -16.992 -6.558 765 HD2 HIS 99 HD2 HIS 99 -12.618 -16.428 -8.637 766 HE1 HIS 99 HE1 HIS 99 -16.813 -16.973 -8.986 767 HE2 HIS 99 HE2 HIS 99 -14.671 -16.469 -10.209 768 H HIS 100 HN HIS 100 -14.614 -14.972 -3.668 769 HA HIS 100 HA HIS 100 -15.703 -12.447 -4.664 770 HB2 HIS 100 HB2 HIS 100 -16.390 -14.252 -2.299 771 HB3 HIS 100 HB1 HIS 100 -17.108 -12.657 -2.473 772 HD1 HIS 100 HD1 HIS 100 -17.832 -16.054 -3.229 773 HD2 HIS 100 HD2 HIS 100 -18.437 -12.437 -5.186 774 HE1 HIS 100 HE1 HIS 100 -19.635 -16.505 -4.920 775 HE2 HIS 100 HE2 HIS 100 -19.924 -14.321 -6.151 776 H HIS 101 HN HIS 101 -16.204 -11.046 -2.368 777 HA HIS 101 HA HIS 101 -15.485 -9.566 -0.858 778 HB2 HIS 101 HB2 HIS 101 -13.087 -11.412 -0.577 779 HB3 HIS 101 HB1 HIS 101 -13.303 -9.963 0.399 780 HD1 HIS 101 HD1 HIS 101 -14.325 -13.496 0.165 781 HD2 HIS 101 HD2 HIS 101 -15.577 -10.083 2.176 782 HE1 HIS 101 HE1 HIS 101 -15.810 -14.312 2.023 783 HE2 HIS 101 HE2 HIS 101 -16.612 -12.229 3.182 784 H282 PNS 102 H282 PNS 102 14.971 12.451 2.289 785 H281 PNS 102 H281 PNS 102 16.349 11.737 3.126 786 H303 PNS 102 H303 PNS 102 17.487 14.024 2.439 787 H302 PNS 102 H302 PNS 102 17.684 14.407 0.729 788 H301 PNS 102 H301 PNS 102 16.078 14.460 1.461 789 H313 PNS 102 H313 PNS 102 15.194 12.875 -0.294 790 H312 PNS 102 H312 PNS 102 16.786 12.793 -1.057 791 H311 PNS 102 H311 PNS 102 15.961 11.312 -0.558 792 H32 PNS 102 H32 PNS 102 18.836 12.088 0.317 793 H33 PNS 102 H33 PNS 102 19.293 11.137 2.700 794 H36 PNS 102 H36 PNS 102 17.698 10.390 -1.028 795 H372 PNS 102 H372 PNS 102 16.788 7.942 -0.019 796 H371 PNS 102 H371 PNS 102 17.327 8.251 -1.662 797 H382 PNS 102 H382 PNS 102 19.411 7.347 -1.316 798 H381 PNS 102 H381 PNS 102 19.497 7.923 0.349 799 H41 PNS 102 H41 PNS 102 17.645 6.924 1.747 800 H422 PNS 102 H422 PNS 102 16.730 4.277 1.306 801 H421 PNS 102 H421 PNS 102 18.235 4.219 2.234 802 H431 PNS 102 H431 PNS 102 15.741 5.757 3.009 803 H432 PNS 102 H432 PNS 102 17.244 5.686 3.935 804 H44 PNS 102 H44 PNS 102 17.084 3.028 4.562 Start of MODEL 10 1 H1 MET 1 HT1 MET 1 -17.526 7.507 -3.360 2 H2 MET 1 HT2 MET 1 -16.728 7.497 -1.871 3 H3 MET 1 HT3 MET 1 -17.338 6.058 -2.514 4 HA MET 1 HA MET 1 -15.816 6.116 -4.315 5 HB2 MET 1 HB2 MET 1 -15.819 8.663 -4.392 6 HB3 MET 1 HB1 MET 1 -14.689 8.650 -3.046 7 HG2 MET 1 HG2 MET 1 -13.004 7.577 -4.426 8 HG3 MET 1 HG1 MET 1 -14.143 7.383 -5.753 9 HE1 MET 1 HE1 MET 1 -15.672 10.228 -5.681 10 HE2 MET 1 HE2 MET 1 -15.130 9.434 -7.159 11 HE3 MET 1 HE3 MET 1 -14.709 11.117 -6.860 12 H THR 2 HN THR 2 -16.098 5.438 -1.256 13 HA THR 2 HA THR 2 -13.481 5.448 -0.151 14 HB THR 2 HB THR 2 -15.414 5.491 1.324 15 HG1 THR 2 HG1 THR 2 -13.665 4.688 2.341 16 HG21 THR 2 HG21 THR 2 -15.997 2.621 0.508 17 HG22 THR 2 HG22 THR 2 -16.982 4.022 0.080 18 HG23 THR 2 HG23 THR 2 -16.822 3.537 1.771 19 H SER 3 HN SER 3 -12.014 4.486 -1.338 20 HA SER 3 HA SER 3 -11.880 1.560 -1.351 21 HB2 SER 3 HB2 SER 3 -11.313 3.299 -3.807 22 HB3 SER 3 HB1 SER 3 -11.013 1.562 -3.693 23 HG SER 3 HG SER 3 -13.445 1.637 -3.061 24 H THR 4 HN THR 4 -9.404 1.088 -2.256 25 HA THR 4 HA THR 4 -7.728 1.781 -0.178 26 HB THR 4 HB THR 4 -6.782 1.105 -2.990 27 HG1 THR 4 HG1 THR 4 -7.292 -0.920 -2.567 28 HG21 THR 4 HG21 THR 4 -4.943 1.821 -1.502 29 HG22 THR 4 HG22 THR 4 -4.840 0.090 -1.813 30 HG23 THR 4 HG23 THR 4 -5.470 0.669 -0.271 31 H PHE 5 HN PHE 5 -7.865 3.289 -3.409 32 HA PHE 5 HA PHE 5 -5.751 5.105 -3.109 33 HB2 PHE 5 HB2 PHE 5 -6.599 4.632 -5.327 34 HB3 PHE 5 HB1 PHE 5 -8.203 5.233 -4.911 35 HD1 PHE 5 HD1 PHE 5 -4.624 6.402 -5.050 36 HD2 PHE 5 HD2 PHE 5 -8.753 7.460 -5.479 37 HE1 PHE 5 HE1 PHE 5 -3.979 8.686 -5.689 38 HE2 PHE 5 HE2 PHE 5 -8.089 9.736 -6.122 39 HZ PHE 5 HZ PHE 5 -5.711 10.353 -6.219 40 H ASP 6 HN ASP 6 -9.249 5.594 -2.619 41 HA ASP 6 HA ASP 6 -9.227 8.291 -1.837 42 HB2 ASP 6 HB2 ASP 6 -11.332 7.231 -2.371 43 HB3 ASP 6 HB1 ASP 6 -11.108 6.009 -1.127 44 H ARG 7 HN ARG 7 -8.864 5.352 0.093 45 HA ARG 7 HA ARG 7 -8.865 6.513 2.663 46 HB2 ARG 7 HB2 ARG 7 -7.664 3.902 1.660 47 HB3 ARG 7 HB1 ARG 7 -7.762 4.336 3.359 48 HG2 ARG 7 HG2 ARG 7 -10.115 3.899 1.483 49 HG3 ARG 7 HG1 ARG 7 -9.559 2.790 2.743 50 HD2 ARG 7 HD2 ARG 7 -10.690 5.583 3.177 51 HD3 ARG 7 HD1 ARG 7 -11.522 4.059 3.498 52 HE ARG 7 HE ARG 7 -9.431 3.719 5.061 53 HH11 ARG 7 HH11 ARG 7 -11.240 6.703 4.669 54 HH12 ARG 7 HH12 ARG 7 -10.956 7.214 6.299 55 HH21 ARG 7 HH21 ARG 7 -9.079 4.418 7.167 56 HH22 ARG 7 HH22 ARG 7 -9.768 5.915 7.707 57 H VAL 8 HN VAL 8 -6.167 5.510 0.546 58 HA VAL 8 HA VAL 8 -4.014 6.321 2.165 59 HB VAL 8 HB VAL 8 -4.163 6.019 -0.866 60 HG11 VAL 8 HG11 VAL 8 -1.691 6.234 0.896 61 HG12 VAL 8 HG12 VAL 8 -2.226 7.422 -0.295 62 HG13 VAL 8 HG13 VAL 8 -1.682 5.829 -0.823 63 HG21 VAL 8 HG21 VAL 8 -3.147 3.800 -0.495 64 HG22 VAL 8 HG22 VAL 8 -4.677 3.948 0.375 65 HG23 VAL 8 HG23 VAL 8 -3.152 4.085 1.249 66 H ALA 9 HN ALA 9 -5.826 8.024 -0.353 67 HA ALA 9 HA ALA 9 -4.334 10.385 -0.548 68 HB1 ALA 9 HB1 ALA 9 -6.385 11.329 -1.579 69 HB2 ALA 9 HB2 ALA 9 -7.311 9.939 -1.006 70 HB3 ALA 9 HB3 ALA 9 -6.031 9.713 -2.199 71 H THR 10 HN THR 10 -7.143 9.567 1.443 72 HA THR 10 HA THR 10 -7.397 12.011 2.842 73 HB THR 10 HB THR 10 -8.321 9.242 3.723 74 HG1 THR 10 HG1 THR 10 -9.012 10.120 1.572 75 HG21 THR 10 HG21 THR 10 -10.086 10.427 4.979 76 HG22 THR 10 HG22 THR 10 -9.410 11.979 4.485 77 HG23 THR 10 HG23 THR 10 -8.487 10.919 5.550 78 H ILE 11 HN ILE 11 -5.527 9.053 3.487 79 HA ILE 11 HA ILE 11 -4.512 9.648 6.028 80 HB ILE 11 HB ILE 11 -3.379 7.999 3.732 81 HG12 ILE 11 HG12 ILE 11 -4.502 7.121 6.428 82 HG13 ILE 11 HG11 ILE 11 -5.440 7.177 4.944 83 HG21 ILE 11 HG21 ILE 11 -2.154 8.262 6.494 84 HG22 ILE 11 HG22 ILE 11 -1.423 8.759 4.967 85 HG23 ILE 11 HG23 ILE 11 -1.697 7.048 5.296 86 HD11 ILE 11 HD11 ILE 11 -4.758 4.929 5.451 87 HD12 ILE 11 HD12 ILE 11 -3.064 5.410 5.488 88 HD13 ILE 11 HD13 ILE 11 -3.966 5.468 3.971 89 H ILE 12 HN ILE 12 -3.193 10.494 2.774 90 HA ILE 12 HA ILE 12 -0.803 11.719 3.678 91 HB ILE 12 HB ILE 12 -2.412 12.258 1.134 92 HG12 ILE 12 HG12 ILE 12 -0.026 10.394 1.506 93 HG13 ILE 12 HG11 ILE 12 -1.701 9.863 1.440 94 HG21 ILE 12 HG21 ILE 12 -0.308 13.112 0.136 95 HG22 ILE 12 HG22 ILE 12 0.498 12.946 1.697 96 HG23 ILE 12 HG23 ILE 12 -0.830 14.092 1.506 97 HD11 ILE 12 HD11 ILE 12 -0.185 11.213 -0.793 98 HD12 ILE 12 HD12 ILE 12 -1.863 10.673 -0.867 99 HD13 ILE 12 HD13 ILE 12 -0.566 9.496 -0.668 100 H ALA 13 HN ALA 13 -3.985 12.969 2.847 101 HA ALA 13 HA ALA 13 -3.767 15.665 3.292 102 HB1 ALA 13 HB1 ALA 13 -6.180 13.910 3.831 103 HB2 ALA 13 HB2 ALA 13 -5.718 14.568 2.261 104 HB3 ALA 13 HB3 ALA 13 -6.209 15.655 3.561 105 H GLU 14 HN GLU 14 -4.570 13.163 5.702 106 HA GLU 14 HA GLU 14 -4.905 15.027 7.866 107 HB2 GLU 14 HB2 GLU 14 -4.778 11.988 7.780 108 HB3 GLU 14 HB1 GLU 14 -5.038 12.901 9.267 109 HG2 GLU 14 HG2 GLU 14 -7.098 13.870 8.320 110 HG3 GLU 14 HG1 GLU 14 -6.843 12.957 6.830 111 H THR 15 HN THR 15 -2.248 12.939 6.770 112 HA THR 15 HA THR 15 -0.841 12.885 9.247 113 HB THR 15 HB THR 15 0.178 12.198 6.453 114 HG1 THR 15 HG1 THR 15 -0.969 10.463 6.725 115 HG21 THR 15 HG21 THR 15 1.299 11.486 9.181 116 HG22 THR 15 HG22 THR 15 2.043 12.586 8.014 117 HG23 THR 15 HG23 THR 15 1.885 10.869 7.640 118 H CYS 16 HN CYS 16 -0.118 14.560 6.137 119 HA CYS 16 HA CYS 16 1.887 16.229 7.536 120 HB2 CYS 16 HB2 CYS 16 1.674 15.418 4.608 121 HB3 CYS 16 HB1 CYS 16 2.900 16.505 5.263 122 HG CYS 16 HG CYS 16 4.564 14.659 5.804 123 H ASP 17 HN ASP 17 -1.151 16.585 7.133 124 HA ASP 17 HA ASP 17 -2.730 18.034 6.455 125 HB2 ASP 17 HB2 ASP 17 -1.729 19.283 8.315 126 HB3 ASP 17 HB1 ASP 17 -0.550 20.016 7.229 127 H ILE 18 HN ILE 18 -2.447 17.143 4.287 128 HA ILE 18 HA ILE 18 -1.591 19.144 2.275 129 HB ILE 18 HB ILE 18 -2.059 16.141 1.889 130 HG12 ILE 18 HG12 ILE 18 -0.071 16.474 3.282 131 HG13 ILE 18 HG11 ILE 18 0.428 15.963 1.675 132 HG21 ILE 18 HG21 ILE 18 -2.478 17.405 -0.183 133 HG22 ILE 18 HG22 ILE 18 -1.006 16.444 -0.335 134 HG23 ILE 18 HG23 ILE 18 -0.896 18.183 -0.056 135 HD11 ILE 18 HD11 ILE 18 0.551 18.764 2.784 136 HD12 ILE 18 HD12 ILE 18 1.003 18.301 1.142 137 HD13 ILE 18 HD13 ILE 18 1.903 17.664 2.518 138 HA PRO 19 HA PRO 19 -6.027 19.835 1.663 139 HB2 PRO 19 HB2 PRO 19 -5.208 20.680 -1.110 140 HB3 PRO 19 HB1 PRO 19 -6.194 21.539 0.084 141 HG2 PRO 19 HG2 PRO 19 -3.674 22.286 -0.365 142 HG3 PRO 19 HG1 PRO 19 -4.323 22.281 1.288 143 HD2 PRO 19 HD2 PRO 19 -2.511 20.260 -0.041 144 HD3 PRO 19 HD1 PRO 19 -2.438 20.921 1.608 145 H ARG 20 HN ARG 20 -7.276 18.119 1.395 146 HA ARG 20 HA ARG 20 -6.746 15.766 0.053 147 HB2 ARG 20 HB2 ARG 20 -8.403 15.982 1.883 148 HB3 ARG 20 HB1 ARG 20 -9.448 16.939 0.848 149 HG2 ARG 20 HG2 ARG 20 -10.302 14.658 1.061 150 HG3 ARG 20 HG1 ARG 20 -9.838 14.998 -0.609 151 HD2 ARG 20 HD2 ARG 20 -7.661 13.806 -0.174 152 HD3 ARG 20 HD1 ARG 20 -8.279 13.357 1.418 153 HE ARG 20 HE ARG 20 -9.660 11.795 0.441 154 HH11 ARG 20 HH11 ARG 20 -8.343 13.832 -2.123 155 HH12 ARG 20 HH12 ARG 20 -8.885 12.780 -3.386 156 HH21 ARG 20 HH21 ARG 20 -10.371 10.450 -1.259 157 HH22 ARG 20 HH22 ARG 20 -10.042 10.899 -2.903 158 H GLU 21 HN GLU 21 -8.357 18.668 -1.161 159 HA GLU 21 HA GLU 21 -9.430 17.615 -3.577 160 HB2 GLU 21 HB2 GLU 21 -9.676 20.018 -4.228 161 HB3 GLU 21 HB1 GLU 21 -10.316 19.668 -2.626 162 HG2 GLU 21 HG2 GLU 21 -8.285 20.615 -1.596 163 HG3 GLU 21 HG1 GLU 21 -7.638 20.986 -3.195 164 H THR 22 HN THR 22 -6.267 18.938 -2.692 165 HA THR 22 HA THR 22 -5.336 19.100 -5.460 166 HB THR 22 HB THR 22 -3.230 19.994 -4.549 167 HG1 THR 22 HG1 THR 22 -3.780 18.682 -2.382 168 HG21 THR 22 HG21 THR 22 -5.659 21.283 -3.242 169 HG22 THR 22 HG22 THR 22 -5.078 21.593 -4.881 170 HG23 THR 22 HG23 THR 22 -4.094 22.061 -3.493 171 H ILE 23 HN ILE 23 -5.823 16.517 -3.527 172 HA ILE 23 HA ILE 23 -3.354 15.065 -4.227 173 HB ILE 23 HB ILE 23 -5.736 14.381 -2.431 174 HG12 ILE 23 HG12 ILE 23 -2.822 14.955 -1.713 175 HG13 ILE 23 HG11 ILE 23 -4.158 16.082 -1.500 176 HG21 ILE 23 HG21 ILE 23 -4.527 12.341 -1.774 177 HG22 ILE 23 HG22 ILE 23 -3.267 12.697 -2.950 178 HG23 ILE 23 HG23 ILE 23 -4.902 12.326 -3.497 179 HD11 ILE 23 HD11 ILE 23 -5.162 14.554 0.136 180 HD12 ILE 23 HD12 ILE 23 -3.533 15.053 0.588 181 HD13 ILE 23 HD13 ILE 23 -3.802 13.444 -0.079 182 H THR 24 HN THR 24 -3.408 13.888 -6.094 183 HA THR 24 HA THR 24 -6.003 13.056 -7.281 184 HB THR 24 HB THR 24 -5.237 13.833 -9.515 185 HG1 THR 24 HG1 THR 24 -3.102 15.163 -8.202 186 HG21 THR 24 HG21 THR 24 -6.601 15.404 -8.170 187 HG22 THR 24 HG22 THR 24 -5.463 16.270 -9.204 188 HG23 THR 24 HG23 THR 24 -5.129 16.092 -7.480 189 HA PRO 25 HA PRO 25 -4.113 9.071 -8.179 190 HB2 PRO 25 HB2 PRO 25 -4.960 9.377 -11.054 191 HB3 PRO 25 HB1 PRO 25 -5.263 8.045 -9.932 192 HG2 PRO 25 HG2 PRO 25 -7.209 9.770 -10.525 193 HG3 PRO 25 HG1 PRO 25 -7.019 9.169 -8.861 194 HD2 PRO 25 HD2 PRO 25 -6.230 11.834 -10.024 195 HD3 PRO 25 HD1 PRO 25 -6.930 11.458 -8.434 196 H GLU 26 HN GLU 26 -3.384 11.680 -10.519 197 HA GLU 26 HA GLU 26 -1.034 10.217 -11.530 198 HB2 GLU 26 HB2 GLU 26 -2.506 12.664 -12.590 199 HB3 GLU 26 HB1 GLU 26 -1.081 11.944 -13.348 200 HG2 GLU 26 HG2 GLU 26 -2.326 9.875 -13.767 201 HG3 GLU 26 HG1 GLU 26 -3.744 10.540 -12.954 202 H SER 27 HN SER 27 -1.602 12.225 -9.007 203 HA SER 27 HA SER 27 0.506 14.184 -9.490 204 HB2 SER 27 HB2 SER 27 0.123 14.925 -7.137 205 HB3 SER 27 HB1 SER 27 -1.356 14.933 -8.094 206 HG SER 27 HG SER 27 -1.094 12.557 -6.922 207 H HIS 28 HN HIS 28 2.541 14.050 -8.855 208 HA HIS 28 HA HIS 28 3.581 11.555 -7.749 209 HB2 HIS 28 HB2 HIS 28 4.560 12.721 -9.809 210 HB3 HIS 28 HB1 HIS 28 5.112 14.001 -8.736 211 HD2 HIS 28 HD2 HIS 28 6.009 10.426 -9.824 212 HE1 HIS 28 HE1 HIS 28 8.960 11.782 -7.134 213 HE2 HIS 28 HE2 HIS 28 8.422 10.127 -8.957 214 H ALA 29 HN ALA 29 3.967 11.440 -5.576 215 HA ALA 29 HA ALA 29 3.531 13.185 -3.613 216 HB1 ALA 29 HB1 ALA 29 5.012 11.842 -2.188 217 HB2 ALA 29 HB2 ALA 29 5.776 11.140 -3.616 218 HB3 ALA 29 HB3 ALA 29 4.077 10.803 -3.271 219 H ILE 30 HN ILE 30 6.539 13.132 -5.560 220 HA ILE 30 HA ILE 30 7.839 14.998 -3.662 221 HB ILE 30 HB ILE 30 9.140 13.517 -5.997 222 HG12 ILE 30 HG12 ILE 30 9.039 12.654 -3.067 223 HG13 ILE 30 HG11 ILE 30 8.228 11.842 -4.402 224 HG21 ILE 30 HG21 ILE 30 10.370 14.846 -3.559 225 HG22 ILE 30 HG22 ILE 30 10.405 15.481 -5.207 226 HG23 ILE 30 HG23 ILE 30 11.257 13.983 -4.818 227 HD11 ILE 30 HD11 ILE 30 11.217 12.085 -4.045 228 HD12 ILE 30 HD12 ILE 30 10.392 11.258 -5.369 229 HD13 ILE 30 HD13 ILE 30 10.231 10.660 -3.719 230 H ASP 31 HN ASP 31 6.940 14.567 -7.071 231 HA ASP 31 HA ASP 31 8.252 17.017 -7.945 232 HB2 ASP 31 HB2 ASP 31 8.372 14.999 -9.357 233 HB3 ASP 31 HB1 ASP 31 6.620 14.944 -9.477 234 H ASP 32 HN ASP 32 4.942 15.913 -7.367 235 HA ASP 32 HA ASP 32 3.805 18.444 -8.380 236 HB2 ASP 32 HB2 ASP 32 2.746 16.361 -9.201 237 HB3 ASP 32 HB1 ASP 32 2.425 15.849 -7.547 238 H LEU 33 HN LEU 33 3.339 16.281 -5.558 239 HA LEU 33 HA LEU 33 1.984 18.221 -3.988 240 HB2 LEU 33 HB2 LEU 33 3.268 15.597 -3.165 241 HB3 LEU 33 HB1 LEU 33 2.161 16.528 -2.170 242 HG LEU 33 HG LEU 33 1.454 15.160 -4.805 243 HD11 LEU 33 HD11 LEU 33 0.132 13.606 -3.425 244 HD12 LEU 33 HD12 LEU 33 0.729 14.386 -1.956 245 HD13 LEU 33 HD13 LEU 33 1.847 13.535 -3.027 246 HD21 LEU 33 HD21 LEU 33 0.103 17.180 -4.496 247 HD22 LEU 33 HD22 LEU 33 -0.351 16.667 -2.869 248 HD23 LEU 33 HD23 LEU 33 -0.891 15.742 -4.273 249 H GLY 34 HN GLY 34 5.384 17.484 -4.422 250 HA2 GLY 34 HA2 GLY 34 7.306 18.340 -3.485 251 HA3 GLY 34 HA1 GLY 34 6.323 19.600 -2.753 252 H ILE 35 HN ILE 35 6.631 16.103 -2.402 253 HA ILE 35 HA ILE 35 6.987 16.280 0.534 254 HB ILE 35 HB ILE 35 5.193 14.326 -1.014 255 HG12 ILE 35 HG12 ILE 35 4.430 16.375 1.116 256 HG13 ILE 35 HG11 ILE 35 4.133 16.545 -0.613 257 HG21 ILE 35 HG21 ILE 35 6.396 13.135 0.808 258 HG22 ILE 35 HG22 ILE 35 4.661 13.211 1.102 259 HG23 ILE 35 HG23 ILE 35 5.745 14.288 1.974 260 HD11 ILE 35 HD11 ILE 35 2.128 15.881 0.533 261 HD12 ILE 35 HD12 ILE 35 2.927 14.468 1.214 262 HD13 ILE 35 HD13 ILE 35 2.655 14.577 -0.530 263 H ASP 36 HN ASP 36 8.972 15.368 0.954 264 HA ASP 36 HA ASP 36 10.241 13.502 -0.928 265 HB2 ASP 36 HB2 ASP 36 11.201 14.665 1.734 266 HB3 ASP 36 HB1 ASP 36 12.166 13.616 0.702 267 H SER 37 HN SER 37 11.268 11.449 0.119 268 HA SER 37 HA SER 37 9.258 9.902 1.400 269 HB2 SER 37 HB2 SER 37 11.092 8.177 1.742 270 HB3 SER 37 HB1 SER 37 10.849 8.690 0.081 271 H LEU 38 HN LEU 38 11.736 11.987 2.598 272 HA LEU 38 HA LEU 38 11.989 11.444 5.292 273 HB2 LEU 38 HB2 LEU 38 11.694 14.132 3.880 274 HB3 LEU 38 HB1 LEU 38 12.201 13.976 5.556 275 HG LEU 38 HG LEU 38 13.739 12.749 3.228 276 HD11 LEU 38 HD11 LEU 38 13.750 15.176 2.976 277 HD12 LEU 38 HD12 LEU 38 15.339 14.603 3.478 278 HD13 LEU 38 HD13 LEU 38 14.270 15.374 4.653 279 HD21 LEU 38 HD21 LEU 38 14.525 13.189 6.134 280 HD22 LEU 38 HD22 LEU 38 15.568 12.533 4.870 281 HD23 LEU 38 HD23 LEU 38 14.141 11.638 5.384 282 H ASP 39 HN ASP 39 9.466 13.438 3.755 283 HA ASP 39 HA ASP 39 7.843 13.801 6.123 284 HB2 ASP 39 HB2 ASP 39 6.987 14.152 3.210 285 HB3 ASP 39 HB1 ASP 39 6.254 14.900 4.626 286 H PHE 40 HN PHE 40 7.925 11.671 3.360 287 HA PHE 40 HA PHE 40 5.319 10.572 3.585 288 HB2 PHE 40 HB2 PHE 40 6.818 10.686 1.480 289 HB3 PHE 40 HB1 PHE 40 7.655 9.277 2.116 290 HD1 PHE 40 HD1 PHE 40 4.472 10.527 0.718 291 HD2 PHE 40 HD2 PHE 40 6.580 7.070 2.095 292 HE1 PHE 40 HE1 PHE 40 2.745 9.080 -0.248 293 HE2 PHE 40 HE2 PHE 40 4.843 5.629 1.117 294 HZ PHE 40 HZ PHE 40 2.928 6.635 -0.048 295 H LEU 41 HN LEU 41 8.314 9.867 5.237 296 HA LEU 41 HA LEU 41 8.036 7.237 6.075 297 HB2 LEU 41 HB2 LEU 41 8.909 9.621 7.762 298 HB3 LEU 41 HB1 LEU 41 9.141 7.944 8.230 299 HG LEU 41 HG LEU 41 10.451 9.342 5.869 300 HD11 LEU 41 HD11 LEU 41 11.404 10.027 7.997 301 HD12 LEU 41 HD12 LEU 41 12.547 9.048 7.083 302 HD13 LEU 41 HD13 LEU 41 11.677 8.343 8.451 303 HD21 LEU 41 HD21 LEU 41 9.991 7.024 5.275 304 HD22 LEU 41 HD22 LEU 41 10.747 6.457 6.768 305 HD23 LEU 41 HD23 LEU 41 11.718 7.255 5.526 306 H ASP 42 HN ASP 42 6.673 10.143 7.656 307 HA ASP 42 HA ASP 42 5.091 8.877 9.614 308 HB2 ASP 42 HB2 ASP 42 4.593 11.576 8.275 309 HB3 ASP 42 HB1 ASP 42 3.826 11.027 9.758 310 H ILE 43 HN ILE 43 4.335 9.916 6.301 311 HA ILE 43 HA ILE 43 1.578 9.357 6.270 312 HB ILE 43 HB ILE 43 3.557 9.292 3.945 313 HG12 ILE 43 HG12 ILE 43 1.706 11.528 4.907 314 HG13 ILE 43 HG11 ILE 43 3.455 11.495 5.098 315 HG21 ILE 43 HG21 ILE 43 1.529 8.055 3.324 316 HG22 ILE 43 HG22 ILE 43 1.608 9.578 2.442 317 HG23 ILE 43 HG23 ILE 43 0.517 9.415 3.820 318 HD11 ILE 43 HD11 ILE 43 3.711 11.632 2.652 319 HD12 ILE 43 HD12 ILE 43 2.792 12.986 3.305 320 HD13 ILE 43 HD13 ILE 43 1.954 11.675 2.477 321 H ALA 44 HN ALA 44 4.395 7.234 5.774 322 HA ALA 44 HA ALA 44 2.947 5.090 4.531 323 HB1 ALA 44 HB1 ALA 44 5.753 5.157 5.719 324 HB2 ALA 44 HB2 ALA 44 5.341 5.470 4.034 325 HB3 ALA 44 HB3 ALA 44 5.093 3.861 4.715 326 H PHE 45 HN PHE 45 4.143 5.889 7.778 327 HA PHE 45 HA PHE 45 3.530 3.444 9.099 328 HB2 PHE 45 HB2 PHE 45 3.978 6.278 10.107 329 HB3 PHE 45 HB1 PHE 45 3.432 5.033 11.222 330 HD1 PHE 45 HD1 PHE 45 4.852 2.972 11.567 331 HD2 PHE 45 HD2 PHE 45 6.300 6.405 9.490 332 HE1 PHE 45 HE1 PHE 45 7.157 2.193 11.884 333 HE2 PHE 45 HE2 PHE 45 8.605 5.622 9.801 334 HZ PHE 45 HZ PHE 45 9.039 3.512 10.994 335 H ALA 46 HN ALA 46 1.650 6.359 8.467 336 HA ALA 46 HA ALA 46 -0.671 5.669 9.980 337 HB1 ALA 46 HB1 ALA 46 -1.778 7.468 8.703 338 HB2 ALA 46 HB2 ALA 46 -0.392 7.546 7.612 339 HB3 ALA 46 HB3 ALA 46 -0.202 7.983 9.309 340 H ILE 47 HN ILE 47 0.328 5.097 6.627 341 HA ILE 47 HA ILE 47 -2.054 3.893 5.644 342 HB ILE 47 HB ILE 47 0.858 3.631 4.784 343 HG12 ILE 47 HG12 ILE 47 -1.427 5.140 3.435 344 HG13 ILE 47 HG11 ILE 47 -0.263 5.887 4.521 345 HG21 ILE 47 HG21 ILE 47 -1.568 2.540 3.315 346 HG22 ILE 47 HG22 ILE 47 -0.272 1.593 4.053 347 HG23 ILE 47 HG23 ILE 47 0.073 2.622 2.665 348 HD11 ILE 47 HD11 ILE 47 1.540 5.374 2.955 349 HD12 ILE 47 HD12 ILE 47 0.264 6.320 2.191 350 HD13 ILE 47 HD13 ILE 47 0.388 4.592 1.871 351 H ASP 48 HN ASP 48 0.858 2.593 7.163 352 HA ASP 48 HA ASP 48 0.428 -0.149 6.823 353 HB2 ASP 48 HB2 ASP 48 1.999 1.279 9.015 354 HB3 ASP 48 HB1 ASP 48 2.113 -0.444 8.657 355 H LYS 49 HN LYS 49 -0.359 1.988 9.516 356 HA LYS 49 HA LYS 49 -1.525 -0.017 11.179 357 HB2 LYS 49 HB2 LYS 49 -1.845 3.011 11.244 358 HB3 LYS 49 HB1 LYS 49 -2.342 1.915 12.533 359 HG2 LYS 49 HG2 LYS 49 0.017 1.239 12.857 360 HG3 LYS 49 HG1 LYS 49 0.510 2.328 11.565 361 HD2 LYS 49 HD2 LYS 49 0.975 3.390 13.687 362 HD3 LYS 49 HD1 LYS 49 -0.366 4.255 12.920 363 HE2 LYS 49 HE2 LYS 49 -1.956 2.943 14.346 364 HE3 LYS 49 HE1 LYS 49 -0.575 2.192 15.149 365 HZ1 LYS 49 HZ1 LYS 49 -1.191 5.090 15.115 366 HZ2 LYS 49 HZ2 LYS 49 0.110 4.362 15.910 367 HZ3 LYS 49 HZ3 LYS 49 -1.470 4.034 16.405 368 H ALA 50 HN ALA 50 -2.875 2.400 8.909 369 HA ALA 50 HA ALA 50 -5.609 2.050 9.366 370 HB1 ALA 50 HB1 ALA 50 -5.947 3.085 7.152 371 HB2 ALA 50 HB2 ALA 50 -4.246 2.810 6.760 372 HB3 ALA 50 HB3 ALA 50 -4.685 3.917 8.063 373 H PHE 51 HN PHE 51 -3.603 0.513 6.869 374 HA PHE 51 HA PHE 51 -5.765 -1.257 6.022 375 HB2 PHE 51 HB2 PHE 51 -2.969 -0.760 4.930 376 HB3 PHE 51 HB1 PHE 51 -4.094 -1.923 4.239 377 HD1 PHE 51 HD2 PHE 51 -3.409 1.683 4.716 378 HD2 PHE 51 HD1 PHE 51 -6.011 -1.202 2.939 379 HE1 PHE 51 HE2 PHE 51 -4.385 3.427 3.286 380 HE2 PHE 51 HE1 PHE 51 -6.985 0.550 1.526 381 HZ PHE 51 HZ PHE 51 -6.166 2.862 1.691 382 H GLY 52 HN GLY 52 -3.500 -1.399 8.443 383 HA2 GLY 52 HA2 GLY 52 -2.766 -3.061 9.817 384 HA3 GLY 52 HA1 GLY 52 -3.944 -4.117 9.056 385 H ILE 53 HN ILE 53 -1.323 -2.539 7.312 386 HA ILE 53 HA ILE 53 0.032 -5.138 6.863 387 HB ILE 53 HB ILE 53 0.517 -4.285 4.482 388 HG12 ILE 53 HG12 ILE 53 -1.409 -2.672 3.607 389 HG13 ILE 53 HG11 ILE 53 -1.537 -2.176 5.280 390 HG21 ILE 53 HG21 ILE 53 -1.075 -6.088 4.889 391 HG22 ILE 53 HG22 ILE 53 -1.654 -5.062 3.575 392 HG23 ILE 53 HG23 ILE 53 -2.370 -4.920 5.184 393 HD11 ILE 53 HD11 ILE 53 0.926 -1.921 3.566 394 HD12 ILE 53 HD12 ILE 53 0.753 -1.363 5.234 395 HD13 ILE 53 HD13 ILE 53 -0.220 -0.639 3.954 396 H LYS 54 HN LYS 54 2.242 -4.379 5.517 397 HA LYS 54 HA LYS 54 3.368 -1.939 6.687 398 HB2 LYS 54 HB2 LYS 54 4.142 -3.759 8.179 399 HB3 LYS 54 HB1 LYS 54 4.773 -4.652 6.798 400 HG2 LYS 54 HG2 LYS 54 6.579 -3.485 8.019 401 HG3 LYS 54 HG1 LYS 54 6.424 -2.899 6.359 402 HD2 LYS 54 HD2 LYS 54 5.022 -0.978 7.298 403 HD3 LYS 54 HD1 LYS 54 5.499 -1.516 8.909 404 HE2 LYS 54 HE2 LYS 54 7.865 -1.086 8.348 405 HE3 LYS 54 HE1 LYS 54 7.399 -0.617 6.710 406 HZ1 LYS 54 HZ1 LYS 54 6.114 1.207 7.640 407 HZ2 LYS 54 HZ2 LYS 54 7.738 1.306 8.110 408 HZ3 LYS 54 HZ3 LYS 54 6.578 0.755 9.205 409 H LEU 55 HN LEU 55 4.192 -0.723 5.093 410 HA LEU 55 HA LEU 55 4.596 -1.682 2.421 411 HB2 LEU 55 HB2 LEU 55 5.267 1.037 3.639 412 HB3 LEU 55 HB1 LEU 55 5.244 0.658 1.922 413 HG LEU 55 HG LEU 55 2.843 0.811 3.790 414 HD11 LEU 55 HD11 LEU 55 3.663 3.008 3.132 415 HD12 LEU 55 HD12 LEU 55 2.117 2.681 2.352 416 HD13 LEU 55 HD13 LEU 55 3.616 2.552 1.424 417 HD21 LEU 55 HD21 LEU 55 1.423 0.308 1.859 418 HD22 LEU 55 HD22 LEU 55 2.506 -1.031 2.209 419 HD23 LEU 55 HD23 LEU 55 2.849 0.044 0.851 420 HA PRO 56 HA PRO 56 9.131 -2.218 3.057 421 HB2 PRO 56 HB2 PRO 56 9.752 -3.079 0.560 422 HB3 PRO 56 HB1 PRO 56 8.947 -4.136 1.734 423 HG2 PRO 56 HG2 PRO 56 7.743 -2.560 -0.542 424 HG3 PRO 56 HG1 PRO 56 7.428 -4.241 -0.062 425 HD2 PRO 56 HD2 PRO 56 5.789 -2.154 0.641 426 HD3 PRO 56 HD1 PRO 56 5.967 -3.619 1.629 427 H LEU 57 HN LEU 57 8.634 0.233 3.239 428 HA LEU 57 HA LEU 57 8.741 1.998 1.052 429 HB2 LEU 57 HB2 LEU 57 7.800 2.322 3.454 430 HB3 LEU 57 HB1 LEU 57 9.443 2.644 3.954 431 HG LEU 57 HG LEU 57 7.986 4.679 3.629 432 HD11 LEU 57 HD11 LEU 57 10.437 4.671 1.868 433 HD12 LEU 57 HD12 LEU 57 10.408 4.946 3.611 434 HD13 LEU 57 HD13 LEU 57 9.621 6.094 2.527 435 HD21 LEU 57 HD21 LEU 57 7.465 5.465 1.384 436 HD22 LEU 57 HD22 LEU 57 6.715 3.902 1.697 437 HD23 LEU 57 HD23 LEU 57 8.161 3.999 0.689 438 H GLU 58 HN GLU 58 11.196 0.834 3.331 439 HA GLU 58 HA GLU 58 13.370 2.478 2.573 440 HB2 GLU 58 HB2 GLU 58 13.494 -0.359 3.690 441 HB3 GLU 58 HB1 GLU 58 14.772 0.853 3.773 442 HG2 GLU 58 HG2 GLU 58 13.433 2.216 5.287 443 HG3 GLU 58 HG1 GLU 58 12.069 1.109 5.128 444 H LYS 59 HN LYS 59 12.229 -0.667 1.428 445 HA LYS 59 HA LYS 59 14.368 -1.283 -0.332 446 HB2 LYS 59 HB2 LYS 59 12.696 -2.982 0.414 447 HB3 LYS 59 HB1 LYS 59 11.446 -2.155 -0.508 448 HG2 LYS 59 HG2 LYS 59 12.682 -2.658 -2.609 449 HG3 LYS 59 HG1 LYS 59 13.913 -3.502 -1.668 450 HD2 LYS 59 HD2 LYS 59 12.407 -5.152 -2.632 451 HD3 LYS 59 HD1 LYS 59 12.165 -5.120 -0.885 452 HE2 LYS 59 HE2 LYS 59 10.015 -5.272 -2.045 453 HE3 LYS 59 HE1 LYS 59 10.139 -3.729 -1.206 454 HZ1 LYS 59 HZ1 LYS 59 10.708 -2.680 -3.287 455 HZ2 LYS 59 HZ2 LYS 59 9.223 -3.476 -3.415 456 HZ3 LYS 59 HZ3 LYS 59 10.611 -4.157 -4.100 457 H TRP 60 HN TRP 60 11.172 0.220 -0.865 458 HA TRP 60 HA TRP 60 11.276 0.719 -3.614 459 HB2 TRP 60 HB2 TRP 60 9.875 2.288 -1.406 460 HB3 TRP 60 HB1 TRP 60 9.606 2.571 -3.126 461 HD1 TRP 60 HD1 TRP 60 9.671 -0.863 -3.523 462 HE1 TRP 60 HE1 TRP 60 7.403 -1.995 -3.127 463 HE3 TRP 60 HE3 TRP 60 7.367 2.836 -0.839 464 HZ2 TRP 60 HZ2 TRP 60 4.965 -1.416 -1.866 465 HZ3 TRP 60 HZ3 TRP 60 5.058 2.468 -0.074 466 HH2 TRP 60 HH2 TRP 60 3.887 0.381 -0.583 467 H THR 61 HN THR 61 12.382 2.689 -0.898 468 HA THR 61 HA THR 61 13.119 5.031 -2.259 469 HB THR 61 HB THR 61 14.293 3.871 0.310 470 HG1 THR 61 HG1 THR 61 11.864 4.589 -0.095 471 HG21 THR 61 HG21 THR 61 14.356 6.748 -0.710 472 HG22 THR 61 HG22 THR 61 15.744 5.666 -0.570 473 HG23 THR 61 HG23 THR 61 14.903 6.209 0.881 474 H GLN 62 HN GLN 62 14.933 2.030 -1.576 475 HA GLN 62 HA GLN 62 17.469 3.067 -2.474 476 HB2 GLN 62 HB2 GLN 62 16.528 0.283 -1.689 477 HB3 GLN 62 HB1 GLN 62 18.173 0.621 -2.214 478 HG2 GLN 62 HG2 GLN 62 16.857 1.926 0.182 479 HG3 GLN 62 HG1 GLN 62 17.862 0.484 0.254 480 HE21 GLN 62 HE21 GLN 62 19.361 1.495 1.599 481 HE22 GLN 62 HE22 GLN 62 20.447 2.715 1.046 482 H GLU 63 HN GLU 63 14.867 1.116 -3.837 483 HA GLU 63 HA GLU 63 16.123 0.309 -6.254 484 HB2 GLU 63 HB2 GLU 63 13.167 0.775 -5.630 485 HB3 GLU 63 HB1 GLU 63 13.757 0.011 -7.107 486 HG2 GLU 63 HG2 GLU 63 14.682 -1.840 -5.836 487 HG3 GLU 63 HG1 GLU 63 14.251 -1.065 -4.313 488 H VAL 64 HN VAL 64 14.227 3.162 -5.388 489 HA VAL 64 HA VAL 64 14.267 4.493 -7.883 490 HB VAL 64 HB VAL 64 13.954 5.509 -5.030 491 HG11 VAL 64 HG11 VAL 64 14.891 7.380 -6.309 492 HG12 VAL 64 HG12 VAL 64 13.188 7.686 -5.962 493 HG13 VAL 64 HG13 VAL 64 13.679 7.154 -7.573 494 HG21 VAL 64 HG21 VAL 64 11.573 5.795 -5.684 495 HG22 VAL 64 HG22 VAL 64 12.097 4.122 -5.884 496 HG23 VAL 64 HG23 VAL 64 11.939 5.171 -7.296 497 H ASN 65 HN ASN 65 16.377 4.884 -5.008 498 HA ASN 65 HA ASN 65 18.237 6.702 -5.995 499 HB2 ASN 65 HB2 ASN 65 18.750 4.439 -4.013 500 HB3 ASN 65 HB1 ASN 65 19.804 5.826 -4.254 501 HD21 ASN 65 HD21 ASN 65 18.500 4.906 -1.838 502 HD22 ASN 65 HD22 ASN 65 17.528 6.218 -1.280 503 H ASP 66 HN ASP 66 18.169 3.180 -6.387 504 HA ASP 66 HA ASP 66 20.839 3.051 -7.548 505 HB2 ASP 66 HB2 ASP 66 19.871 1.319 -5.951 506 HB3 ASP 66 HB1 ASP 66 18.778 0.828 -7.233 507 H GLY 67 HN GLY 67 17.894 3.938 -8.778 508 HA2 GLY 67 HA2 GLY 67 17.042 4.148 -10.879 509 HA3 GLY 67 HA1 GLY 67 18.540 3.496 -11.513 510 H LYS 68 HN LYS 68 17.220 1.249 -9.344 511 HA LYS 68 HA LYS 68 16.482 -0.677 -11.284 512 HB2 LYS 68 HB2 LYS 68 15.810 -0.476 -8.329 513 HB3 LYS 68 HB1 LYS 68 15.324 -1.857 -9.312 514 HG2 LYS 68 HG2 LYS 68 18.181 -0.954 -8.804 515 HG3 LYS 68 HG1 LYS 68 17.366 -2.317 -8.030 516 HD2 LYS 68 HD2 LYS 68 17.133 -3.429 -10.245 517 HD3 LYS 68 HD1 LYS 68 17.959 -2.066 -11.011 518 HE2 LYS 68 HE2 LYS 68 19.986 -2.572 -9.662 519 HE3 LYS 68 HE1 LYS 68 19.154 -3.964 -8.956 520 HZ1 LYS 68 HZ1 LYS 68 20.577 -4.607 -10.776 521 HZ2 LYS 68 HZ2 LYS 68 19.760 -3.573 -11.835 522 HZ3 LYS 68 HZ3 LYS 68 18.958 -4.906 -11.164 523 H ALA 69 HN ALA 69 14.691 1.869 -9.763 524 HA ALA 69 HA ALA 69 12.597 1.610 -11.770 525 HB1 ALA 69 HB1 ALA 69 11.666 0.349 -9.849 526 HB2 ALA 69 HB2 ALA 69 10.761 1.834 -10.139 527 HB3 ALA 69 HB3 ALA 69 11.911 1.749 -8.802 528 H THR 70 HN THR 70 11.484 3.549 -12.063 529 HA THR 70 HA THR 70 12.894 6.000 -11.582 530 HB THR 70 HB THR 70 10.121 5.552 -12.801 531 HG1 THR 70 HG1 THR 70 12.367 4.716 -13.758 532 HG21 THR 70 HG21 THR 70 10.480 7.927 -12.152 533 HG22 THR 70 HG22 THR 70 10.454 7.742 -13.907 534 HG23 THR 70 HG23 THR 70 11.992 7.946 -13.069 535 H THR 71 HN THR 71 12.093 7.796 -10.339 536 HA THR 71 HA THR 71 11.050 7.429 -7.818 537 HB THR 71 HB THR 71 10.473 9.861 -7.814 538 HG1 THR 71 HG1 THR 71 11.027 10.929 -9.950 539 HG21 THR 71 HG21 THR 71 13.071 9.304 -9.293 540 HG22 THR 71 HG22 THR 71 12.857 9.287 -7.543 541 HG23 THR 71 HG23 THR 71 12.678 10.799 -8.433 542 H GLU 72 HN GLU 72 9.239 8.507 -10.710 543 HA GLU 72 HA GLU 72 6.651 8.625 -9.928 544 HB2 GLU 72 HB2 GLU 72 7.666 7.389 -12.519 545 HB3 GLU 72 HB1 GLU 72 6.032 8.001 -12.264 546 HG2 GLU 72 HG2 GLU 72 6.916 10.274 -11.957 547 HG3 GLU 72 HG1 GLU 72 8.565 9.675 -12.150 548 H GLN 73 HN GLN 73 8.292 5.618 -10.827 549 HA GLN 73 HA GLN 73 6.057 3.918 -10.806 550 HB2 GLN 73 HB2 GLN 73 8.983 3.266 -10.283 551 HB3 GLN 73 HB1 GLN 73 7.729 2.049 -10.519 552 HG2 GLN 73 HG2 GLN 73 7.281 3.059 -12.796 553 HG3 GLN 73 HG1 GLN 73 8.675 4.109 -12.543 554 HE21 GLN 73 HE21 GLN 73 7.613 0.813 -13.058 555 HE22 GLN 73 HE22 GLN 73 9.141 0.184 -13.562 556 H TYR 74 HN TYR 74 8.077 5.052 -8.125 557 HA TYR 74 HA TYR 74 6.325 3.583 -6.236 558 HB2 TYR 74 HB2 TYR 74 9.246 4.343 -5.889 559 HB3 TYR 74 HB1 TYR 74 8.238 3.708 -4.593 560 HD1 TYR 74 HD2 TYR 74 6.718 1.525 -5.874 561 HD2 TYR 74 HD1 TYR 74 10.822 2.640 -6.390 562 HE1 TYR 74 HE2 TYR 74 7.257 -0.760 -6.573 563 HE2 TYR 74 HE1 TYR 74 11.344 0.345 -7.083 564 HH TYR 74 HH TYR 74 10.456 -1.911 -6.856 565 H PHE 75 HN PHE 75 6.450 6.637 -7.395 566 HA PHE 75 HA PHE 75 5.500 7.734 -4.818 567 HB2 PHE 75 HB2 PHE 75 7.597 9.014 -6.619 568 HB3 PHE 75 HB1 PHE 75 6.680 9.945 -5.449 569 HD1 PHE 75 HD2 PHE 75 6.903 9.388 -2.976 570 HD2 PHE 75 HD1 PHE 75 9.544 7.765 -5.931 571 HE1 PHE 75 HE2 PHE 75 8.559 8.890 -1.231 572 HE2 PHE 75 HE1 PHE 75 11.188 7.261 -4.171 573 HZ PHE 75 HZ PHE 75 10.697 7.810 -1.821 574 H VAL 76 HN VAL 76 4.333 6.968 -7.711 575 HA VAL 76 HA VAL 76 2.694 9.439 -7.931 576 HB VAL 76 HB VAL 76 2.847 7.032 -9.807 577 HG11 VAL 76 HG11 VAL 76 1.196 8.194 -11.255 578 HG12 VAL 76 HG12 VAL 76 0.970 9.419 -10.002 579 HG13 VAL 76 HG13 VAL 76 0.496 7.745 -9.699 580 HG21 VAL 76 HG21 VAL 76 3.522 9.964 -10.260 581 HG22 VAL 76 HG22 VAL 76 3.634 8.684 -11.470 582 HG23 VAL 76 HG23 VAL 76 4.688 8.657 -10.056 583 H LEU 77 HN LEU 77 0.643 9.452 -7.185 584 HA LEU 77 HA LEU 77 0.102 7.747 -5.039 585 HB2 LEU 77 HB2 LEU 77 -1.816 9.685 -6.355 586 HB3 LEU 77 HB1 LEU 77 -1.995 8.988 -4.748 587 HG LEU 77 HG LEU 77 0.064 11.018 -5.677 588 HD11 LEU 77 HD11 LEU 77 -0.862 12.396 -3.892 589 HD12 LEU 77 HD12 LEU 77 -2.020 11.125 -3.490 590 HD13 LEU 77 HD13 LEU 77 -2.089 11.930 -5.063 591 HD21 LEU 77 HD21 LEU 77 1.085 10.932 -3.425 592 HD22 LEU 77 HD22 LEU 77 1.305 9.429 -4.311 593 HD23 LEU 77 HD23 LEU 77 0.095 9.522 -3.032 594 H LYS 78 HN LYS 78 -1.158 7.468 -8.349 595 HA LYS 78 HA LYS 78 -3.145 5.493 -7.637 596 HB2 LYS 78 HB2 LYS 78 -3.407 5.094 -10.049 597 HB3 LYS 78 HB1 LYS 78 -3.460 6.810 -9.667 598 HG2 LYS 78 HG2 LYS 78 -1.165 7.091 -10.474 599 HG3 LYS 78 HG1 LYS 78 -1.056 5.361 -10.817 600 HD2 LYS 78 HD2 LYS 78 -2.985 5.638 -12.429 601 HD3 LYS 78 HD1 LYS 78 -2.889 7.383 -12.165 602 HE2 LYS 78 HE2 LYS 78 -1.715 6.693 -14.223 603 HE3 LYS 78 HE1 LYS 78 -0.603 7.408 -13.052 604 HZ1 LYS 78 HZ1 LYS 78 -0.997 4.483 -13.413 605 HZ2 LYS 78 HZ2 LYS 78 0.168 5.233 -12.445 606 HZ3 LYS 78 HZ3 LYS 78 0.249 5.371 -14.128 607 H ASN 79 HN ASN 79 0.224 5.400 -8.728 608 HA ASN 79 HA ASN 79 0.510 2.548 -8.898 609 HB2 ASN 79 HB2 ASN 79 2.656 4.658 -8.338 610 HB3 ASN 79 HB1 ASN 79 2.979 2.975 -8.744 611 HD21 ASN 79 HD21 ASN 79 4.129 3.392 -10.591 612 HD22 ASN 79 HD22 ASN 79 3.448 4.099 -12.013 613 H LEU 80 HN LEU 80 0.690 4.913 -6.361 614 HA LEU 80 HA LEU 80 1.854 3.373 -4.285 615 HB2 LEU 80 HB2 LEU 80 1.813 5.850 -4.314 616 HB3 LEU 80 HB1 LEU 80 0.064 5.828 -4.178 617 HG LEU 80 HG LEU 80 0.264 4.822 -1.901 618 HD11 LEU 80 HD11 LEU 80 2.446 4.762 -0.755 619 HD12 LEU 80 HD12 LEU 80 3.259 5.182 -2.265 620 HD13 LEU 80 HD13 LEU 80 2.390 3.652 -2.123 621 HD21 LEU 80 HD21 LEU 80 0.021 7.251 -2.174 622 HD22 LEU 80 HD22 LEU 80 1.775 7.440 -2.259 623 HD23 LEU 80 HD23 LEU 80 1.015 6.871 -0.770 624 H ALA 81 HN ALA 81 -1.481 4.250 -5.090 625 HA ALA 81 HA ALA 81 -2.836 2.876 -3.053 626 HB1 ALA 81 HB1 ALA 81 -4.825 3.123 -4.488 627 HB2 ALA 81 HB2 ALA 81 -3.789 3.542 -5.857 628 HB3 ALA 81 HB3 ALA 81 -3.872 4.610 -4.456 629 H ALA 82 HN ALA 82 -1.677 1.809 -6.233 630 HA ALA 82 HA ALA 82 -2.959 -0.721 -6.303 631 HB1 ALA 82 HB1 ALA 82 -1.401 -1.209 -8.142 632 HB2 ALA 82 HB2 ALA 82 -0.434 0.207 -7.725 633 HB3 ALA 82 HB3 ALA 82 -2.084 0.409 -8.317 634 H ARG 83 HN ARG 83 0.321 0.291 -5.280 635 HA ARG 83 HA ARG 83 1.390 -2.261 -4.679 636 HB2 ARG 83 HB2 ARG 83 2.104 0.536 -3.739 637 HB3 ARG 83 HB1 ARG 83 2.997 -0.868 -3.164 638 HG2 ARG 83 HG2 ARG 83 3.774 -1.381 -5.399 639 HG3 ARG 83 HG1 ARG 83 2.735 -0.139 -6.103 640 HD2 ARG 83 HD2 ARG 83 4.964 0.433 -4.128 641 HD3 ARG 83 HD1 ARG 83 5.148 0.504 -5.884 642 HE ARG 83 HE ARG 83 3.117 2.143 -5.610 643 HH11 ARG 83 HH11 ARG 83 5.946 1.974 -3.560 644 HH12 ARG 83 HH12 ARG 83 6.018 3.689 -3.318 645 HH21 ARG 83 HH21 ARG 83 3.250 4.380 -5.329 646 HH22 ARG 83 HH22 ARG 83 4.468 5.047 -4.294 647 H ILE 84 HN ILE 84 -0.201 0.126 -2.607 648 HA ILE 84 HA ILE 84 0.072 -1.223 -0.135 649 HB ILE 84 HB ILE 84 -1.975 0.846 -1.051 650 HG12 ILE 84 HG12 ILE 84 0.592 1.255 0.546 651 HG13 ILE 84 HG11 ILE 84 0.480 1.497 -1.187 652 HG21 ILE 84 HG21 ILE 84 -2.343 1.345 1.357 653 HG22 ILE 84 HG22 ILE 84 -1.306 -0.015 1.792 654 HG23 ILE 84 HG23 ILE 84 -2.827 -0.302 0.946 655 HD11 ILE 84 HD11 ILE 84 0.416 3.574 0.037 656 HD12 ILE 84 HD12 ILE 84 -1.024 3.046 0.905 657 HD13 ILE 84 HD13 ILE 84 -1.087 3.309 -0.840 658 H ASP 85 HN ASP 85 -2.619 -1.029 -2.468 659 HA ASP 85 HA ASP 85 -4.454 -2.746 -1.199 660 HB2 ASP 85 HB2 ASP 85 -5.048 -1.231 -3.078 661 HB3 ASP 85 HB1 ASP 85 -4.085 -2.199 -4.183 662 H GLU 86 HN GLU 86 -1.760 -3.399 -3.358 663 HA GLU 86 HA GLU 86 -2.183 -6.112 -3.916 664 HB2 GLU 86 HB2 GLU 86 -0.542 -4.324 -4.936 665 HB3 GLU 86 HB1 GLU 86 0.567 -4.833 -3.676 666 HG2 GLU 86 HG2 GLU 86 -0.633 -6.620 -5.793 667 HG3 GLU 86 HG1 GLU 86 0.955 -5.877 -5.892 668 H LEU 87 HN LEU 87 -0.504 -4.459 -1.241 669 HA LEU 87 HA LEU 87 0.425 -6.849 0.064 670 HB2 LEU 87 HB2 LEU 87 0.117 -4.005 1.097 671 HB3 LEU 87 HB1 LEU 87 0.882 -5.308 2.006 672 HG LEU 87 HG LEU 87 1.872 -4.182 -0.652 673 HD11 LEU 87 HD11 LEU 87 2.197 -2.615 1.189 674 HD12 LEU 87 HD12 LEU 87 3.733 -3.261 0.624 675 HD13 LEU 87 HD13 LEU 87 3.026 -3.857 2.130 676 HD21 LEU 87 HD21 LEU 87 2.425 -6.565 -0.467 677 HD22 LEU 87 HD22 LEU 87 3.147 -6.301 1.123 678 HD23 LEU 87 HD23 LEU 87 3.875 -5.577 -0.316 679 H VAL 88 HN VAL 88 -2.516 -4.939 0.223 680 HA VAL 88 HA VAL 88 -3.640 -6.188 2.578 681 HB VAL 88 HB VAL 88 -4.976 -4.563 0.355 682 HG11 VAL 88 HG11 VAL 88 -6.864 -4.219 1.939 683 HG12 VAL 88 HG12 VAL 88 -6.097 -5.308 3.096 684 HG13 VAL 88 HG13 VAL 88 -6.660 -5.928 1.542 685 HG21 VAL 88 HG21 VAL 88 -3.262 -3.273 1.577 686 HG22 VAL 88 HG22 VAL 88 -4.041 -3.658 3.110 687 HG23 VAL 88 HG23 VAL 88 -4.876 -2.648 1.925 688 H ALA 89 HN ALA 89 -3.547 -6.763 -0.854 689 HA ALA 89 HA ALA 89 -5.517 -8.877 -0.949 690 HB1 ALA 89 HB1 ALA 89 -3.460 -8.016 -3.025 691 HB2 ALA 89 HB2 ALA 89 -5.129 -7.450 -2.929 692 HB3 ALA 89 HB3 ALA 89 -4.794 -9.142 -3.299 693 H ALA 90 HN ALA 90 -2.006 -8.594 -0.623 694 HA ALA 90 HA ALA 90 -1.359 -11.364 -0.864 695 HB1 ALA 90 HB1 ALA 90 0.171 -9.120 0.507 696 HB2 ALA 90 HB2 ALA 90 0.314 -9.582 -1.190 697 HB3 ALA 90 HB3 ALA 90 0.827 -10.703 0.071 698 H LYS 91 HN LYS 91 -2.488 -9.315 1.719 699 HA LYS 91 HA LYS 91 -2.068 -11.328 3.814 700 HB2 LYS 91 HB2 LYS 91 -1.645 -8.878 4.222 701 HB3 LYS 91 HB1 LYS 91 -3.357 -8.570 3.951 702 HG2 LYS 91 HG2 LYS 91 -3.845 -10.113 5.907 703 HG3 LYS 91 HG1 LYS 91 -2.109 -10.165 6.213 704 HD2 LYS 91 HD2 LYS 91 -3.199 -8.519 7.674 705 HD3 LYS 91 HD1 LYS 91 -2.088 -7.716 6.558 706 HE2 LYS 91 HE2 LYS 91 -3.978 -7.057 5.125 707 HE3 LYS 91 HE1 LYS 91 -5.103 -7.917 6.177 708 HZ1 LYS 91 HZ1 LYS 91 -3.423 -5.643 7.024 709 HZ2 LYS 91 HZ2 LYS 91 -4.645 -6.394 7.918 710 HZ3 LYS 91 HZ3 LYS 91 -5.030 -5.517 6.529 711 H GLY 92 HN GLY 92 -4.441 -10.262 1.560 712 HA2 GLY 92 HA2 GLY 92 -6.808 -11.197 3.009 713 HA3 GLY 92 HA1 GLY 92 -6.755 -10.445 1.416 714 H ALA 93 HN ALA 93 -4.586 -12.236 0.515 715 HA ALA 93 HA ALA 93 -6.126 -14.535 -0.359 716 HB1 ALA 93 HB1 ALA 93 -4.172 -15.061 -1.753 717 HB2 ALA 93 HB2 ALA 93 -3.229 -13.812 -0.933 718 HB3 ALA 93 HB3 ALA 93 -4.620 -13.362 -1.920 719 H LEU 94 HN LEU 94 -4.623 -13.954 2.488 720 HA LEU 94 HA LEU 94 -3.455 -16.583 2.942 721 HB2 LEU 94 HB2 LEU 94 -3.951 -14.164 4.739 722 HB3 LEU 94 HB1 LEU 94 -3.247 -15.667 5.321 723 HG LEU 94 HG LEU 94 -2.014 -13.815 3.236 724 HD11 LEU 94 HD11 LEU 94 -0.298 -13.343 4.938 725 HD12 LEU 94 HD12 LEU 94 -1.186 -14.314 6.116 726 HD13 LEU 94 HD13 LEU 94 -1.903 -12.837 5.462 727 HD21 LEU 94 HD21 LEU 94 -0.010 -15.270 3.378 728 HD22 LEU 94 HD22 LEU 94 -1.408 -16.123 2.733 729 HD23 LEU 94 HD23 LEU 94 -0.905 -16.399 4.403 730 H GLU 95 HN GLU 95 -4.395 -17.133 5.501 731 HA GLU 95 HA GLU 95 -6.869 -18.398 5.186 732 HB2 GLU 95 HB2 GLU 95 -6.844 -18.631 7.683 733 HB3 GLU 95 HB1 GLU 95 -5.331 -19.114 6.921 734 HG2 GLU 95 HG2 GLU 95 -4.298 -16.973 7.582 735 HG3 GLU 95 HG1 GLU 95 -5.819 -16.458 8.316 736 H HIS 96 HN HIS 96 -8.948 -17.664 5.300 737 HA HIS 96 HA HIS 96 -9.493 -14.854 5.876 738 HB2 HIS 96 HB2 HIS 96 -11.278 -17.128 4.901 739 HB3 HIS 96 HB1 HIS 96 -11.842 -15.476 5.148 740 HD1 HIS 96 HD1 HIS 96 -10.384 -17.629 2.632 741 HD2 HIS 96 HD2 HIS 96 -10.379 -13.559 3.443 742 HE1 HIS 96 HE1 HIS 96 -9.596 -16.528 0.515 743 HE2 HIS 96 HE2 HIS 96 -9.561 -14.067 1.049 744 H HIS 97 HN HIS 97 -9.009 -14.773 8.053 745 HA HIS 97 HA HIS 97 -10.860 -16.076 9.947 746 HB2 HIS 97 HB2 HIS 97 -8.811 -17.446 9.932 747 HB3 HIS 97 HB1 HIS 97 -7.808 -16.023 10.187 748 HD1 HIS 97 HD1 HIS 97 -7.343 -15.411 12.565 749 HD2 HIS 97 HD2 HIS 97 -10.551 -18.019 12.241 750 HE1 HIS 97 HE1 HIS 97 -7.958 -16.002 14.922 751 HE2 HIS 97 HE2 HIS 97 -10.030 -17.404 14.694 752 H HIS 98 HN HIS 98 -11.758 -14.580 11.185 753 HA HIS 98 HA HIS 98 -10.317 -12.093 11.902 754 HB2 HIS 98 HB2 HIS 98 -13.302 -12.738 12.117 755 HB3 HIS 98 HB1 HIS 98 -12.556 -11.215 12.588 756 HD1 HIS 98 HD1 HIS 98 -12.337 -9.470 10.794 757 HD2 HIS 98 HD2 HIS 98 -13.221 -13.223 9.256 758 HE1 HIS 98 HE1 HIS 98 -12.786 -9.106 8.353 759 HE2 HIS 98 HE2 HIS 98 -13.193 -11.406 7.416 760 H HIS 99 HN HIS 99 -10.381 -11.425 14.135 761 HA HIS 99 HA HIS 99 -9.935 -13.425 16.089 762 HB2 HIS 99 HB2 HIS 99 -9.073 -11.025 16.124 763 HB3 HIS 99 HB1 HIS 99 -10.684 -10.509 16.601 764 HD1 HIS 99 HD1 HIS 99 -7.500 -11.446 17.978 765 HD2 HIS 99 HD2 HIS 99 -11.445 -11.776 19.246 766 HE1 HIS 99 HE1 HIS 99 -7.381 -11.786 20.463 767 HE2 HIS 99 HE2 HIS 99 -9.770 -12.070 21.201 768 H HIS 100 HN HIS 100 -12.699 -11.368 15.340 769 HA HIS 100 HA HIS 100 -14.627 -13.344 15.961 770 HB2 HIS 100 HB2 HIS 100 -13.984 -12.302 18.304 771 HB3 HIS 100 HB1 HIS 100 -14.904 -10.901 17.774 772 HD1 HIS 100 HD1 HIS 100 -17.416 -11.041 18.077 773 HD2 HIS 100 HD2 HIS 100 -15.561 -14.736 18.491 774 HE1 HIS 100 HE1 HIS 100 -19.202 -12.599 18.906 775 HE2 HIS 100 HE2 HIS 100 -18.097 -14.861 18.982 776 H HIS 101 HN HIS 101 -13.882 -9.933 15.518 777 HA HIS 101 HA HIS 101 -15.610 -9.758 13.172 778 HB2 HIS 101 HB2 HIS 101 -17.095 -8.876 14.936 779 HB3 HIS 101 HB1 HIS 101 -15.820 -7.815 15.527 780 HD1 HIS 101 HD1 HIS 101 -18.098 -8.259 12.525 781 HD2 HIS 101 HD2 HIS 101 -15.721 -5.339 14.290 782 HE1 HIS 101 HE1 HIS 101 -18.582 -6.139 11.265 783 HE2 HIS 101 HE2 HIS 101 -17.056 -4.411 12.281 784 H282 PNS 102 H282 PNS 102 16.289 9.757 2.850 785 H281 PNS 102 H281 PNS 102 16.418 8.114 2.187 786 H303 PNS 102 H303 PNS 102 17.707 7.673 0.058 787 H302 PNS 102 H302 PNS 102 16.612 8.761 -0.794 788 H301 PNS 102 H301 PNS 102 18.352 9.021 -0.891 789 H313 PNS 102 H313 PNS 102 18.722 10.164 2.708 790 H312 PNS 102 H312 PNS 102 18.953 8.505 2.147 791 H311 PNS 102 H311 PNS 102 19.621 9.852 1.219 792 H32 PNS 102 H32 PNS 102 16.197 11.186 0.109 793 H33 PNS 102 H33 PNS 102 17.130 12.923 1.405 794 H36 PNS 102 H36 PNS 102 19.569 11.896 1.030 795 H372 PNS 102 H372 PNS 102 20.195 13.248 -1.428 796 H371 PNS 102 H371 PNS 102 21.289 12.921 -0.083 797 H382 PNS 102 H382 PNS 102 20.493 10.916 -2.220 798 H381 PNS 102 H381 PNS 102 22.017 11.805 -2.183 799 H41 PNS 102 H41 PNS 102 22.529 9.306 -2.371 800 H422 PNS 102 H422 PNS 102 23.884 8.499 -0.020 801 H421 PNS 102 H421 PNS 102 22.384 7.570 -0.145 802 H431 PNS 102 H431 PNS 102 24.571 7.709 -2.243 803 H432 PNS 102 H432 PNS 102 23.071 6.781 -2.386 804 H44 PNS 102 H44 PNS 102 25.402 6.245 0.067 Start of MODEL 11 1 H1 MET 1 HT1 MET 1 -15.955 -3.260 0.613 2 H2 MET 1 HT2 MET 1 -14.928 -3.463 1.941 3 H3 MET 1 HT3 MET 1 -15.298 -4.781 0.951 4 HA MET 1 HA MET 1 -13.081 -3.953 0.531 5 HB2 MET 1 HB2 MET 1 -15.061 -3.465 -1.746 6 HB3 MET 1 HB1 MET 1 -13.321 -3.633 -1.958 7 HG2 MET 1 HG2 MET 1 -14.457 -5.697 -2.555 8 HG3 MET 1 HG1 MET 1 -13.465 -5.961 -1.115 9 HE1 MET 1 HE1 MET 1 -15.823 -8.005 -2.056 10 HE2 MET 1 HE2 MET 1 -16.502 -8.367 -0.468 11 HE3 MET 1 HE3 MET 1 -14.753 -8.243 -0.681 12 H THR 2 HN THR 2 -12.390 -2.146 1.674 13 HA THR 2 HA THR 2 -13.428 0.486 1.244 14 HB THR 2 HB THR 2 -12.490 -0.111 3.431 15 HG1 THR 2 HG1 THR 2 -11.971 2.102 2.123 16 HG21 THR 2 HG21 THR 2 -10.659 -1.633 2.726 17 HG22 THR 2 HG22 THR 2 -10.104 -0.384 3.843 18 HG23 THR 2 HG23 THR 2 -9.752 -0.249 2.117 19 H SER 3 HN SER 3 -12.709 2.079 -0.072 20 HA SER 3 HA SER 3 -11.095 1.475 -2.345 21 HB2 SER 3 HB2 SER 3 -12.975 3.081 -2.479 22 HB3 SER 3 HB1 SER 3 -12.158 4.158 -1.346 23 HG SER 3 HG SER 3 -11.618 4.961 -3.278 24 H THR 4 HN THR 4 -8.947 1.466 -2.401 25 HA THR 4 HA THR 4 -7.293 2.052 -0.210 26 HB THR 4 HB THR 4 -6.388 1.754 -3.110 27 HG1 THR 4 HG1 THR 4 -7.089 -0.222 -2.902 28 HG21 THR 4 HG21 THR 4 -4.608 2.537 -1.556 29 HG22 THR 4 HG22 THR 4 -4.301 0.890 -2.104 30 HG23 THR 4 HG23 THR 4 -4.946 1.167 -0.488 31 H PHE 5 HN PHE 5 -7.783 3.868 -3.287 32 HA PHE 5 HA PHE 5 -5.817 5.843 -2.778 33 HB2 PHE 5 HB2 PHE 5 -6.588 5.562 -5.062 34 HB3 PHE 5 HB1 PHE 5 -8.246 5.956 -4.612 35 HD1 PHE 5 HD1 PHE 5 -4.798 7.477 -4.485 36 HD2 PHE 5 HD2 PHE 5 -8.994 8.181 -5.003 37 HE1 PHE 5 HE1 PHE 5 -4.363 9.868 -4.869 38 HE2 PHE 5 HE2 PHE 5 -8.536 10.567 -5.391 39 HZ PHE 5 HZ PHE 5 -6.226 11.412 -5.320 40 H ASP 6 HN ASP 6 -9.319 5.790 -2.033 41 HA ASP 6 HA ASP 6 -9.534 8.466 -1.133 42 HB2 ASP 6 HB2 ASP 6 -11.197 5.997 -0.554 43 HB3 ASP 6 HB1 ASP 6 -11.523 7.510 0.287 44 H ARG 7 HN ARG 7 -8.693 5.470 0.586 45 HA ARG 7 HA ARG 7 -8.333 6.529 3.176 46 HB2 ARG 7 HB2 ARG 7 -6.999 4.171 1.796 47 HB3 ARG 7 HB1 ARG 7 -6.740 4.553 3.494 48 HG2 ARG 7 HG2 ARG 7 -9.435 3.907 2.268 49 HG3 ARG 7 HG1 ARG 7 -8.414 2.751 3.129 50 HD2 ARG 7 HD2 ARG 7 -8.563 4.139 5.168 51 HD3 ARG 7 HD1 ARG 7 -9.574 5.302 4.301 52 HE ARG 7 HE ARG 7 -10.623 2.623 4.286 53 HH11 ARG 7 HH11 ARG 7 -10.500 5.569 6.192 54 HH12 ARG 7 HH12 ARG 7 -11.980 5.225 7.029 55 HH21 ARG 7 HH21 ARG 7 -12.571 2.194 5.363 56 HH22 ARG 7 HH22 ARG 7 -13.161 3.314 6.552 57 H VAL 8 HN VAL 8 -5.950 6.053 0.549 58 HA VAL 8 HA VAL 8 -3.640 6.970 1.877 59 HB VAL 8 HB VAL 8 -4.244 7.000 -1.126 60 HG11 VAL 8 HG11 VAL 8 -1.548 7.164 0.286 61 HG12 VAL 8 HG12 VAL 8 -2.322 8.461 -0.625 62 HG13 VAL 8 HG13 VAL 8 -1.786 7.003 -1.457 63 HG21 VAL 8 HG21 VAL 8 -3.064 4.837 -1.186 64 HG22 VAL 8 HG22 VAL 8 -4.465 4.757 -0.122 65 HG23 VAL 8 HG23 VAL 8 -2.845 4.889 0.566 66 H ALA 9 HN ALA 9 -5.899 8.670 -0.247 67 HA ALA 9 HA ALA 9 -4.700 11.184 -0.335 68 HB1 ALA 9 HB1 ALA 9 -6.435 10.456 -1.919 69 HB2 ALA 9 HB2 ALA 9 -6.894 11.978 -1.150 70 HB3 ALA 9 HB3 ALA 9 -7.638 10.463 -0.627 71 H THR 10 HN THR 10 -7.216 9.888 1.870 72 HA THR 10 HA THR 10 -7.595 12.157 3.493 73 HB THR 10 HB THR 10 -7.694 9.255 4.457 74 HG1 THR 10 HG1 THR 10 -9.075 10.125 2.544 75 HG21 THR 10 HG21 THR 10 -9.095 11.749 5.504 76 HG22 THR 10 HG22 THR 10 -7.769 10.904 6.303 77 HG23 THR 10 HG23 THR 10 -9.321 10.098 6.112 78 H ILE 11 HN ILE 11 -5.300 9.448 3.795 79 HA ILE 11 HA ILE 11 -4.057 10.118 6.198 80 HB ILE 11 HB ILE 11 -3.048 8.559 3.782 81 HG12 ILE 11 HG12 ILE 11 -3.984 7.605 6.528 82 HG13 ILE 11 HG11 ILE 11 -4.979 7.618 5.081 83 HG21 ILE 11 HG21 ILE 11 -1.048 9.386 4.906 84 HG22 ILE 11 HG22 ILE 11 -1.222 7.660 5.214 85 HG23 ILE 11 HG23 ILE 11 -1.652 8.824 6.469 86 HD11 ILE 11 HD11 ILE 11 -2.484 5.969 5.478 87 HD12 ILE 11 HD12 ILE 11 -3.521 5.959 4.049 88 HD13 ILE 11 HD13 ILE 11 -4.148 5.398 5.598 89 H ILE 12 HN ILE 12 -3.139 11.047 2.842 90 HA ILE 12 HA ILE 12 -0.715 12.356 3.546 91 HB ILE 12 HB ILE 12 -2.475 12.476 1.062 92 HG12 ILE 12 HG12 ILE 12 0.163 11.042 1.589 93 HG13 ILE 12 HG11 ILE 12 -1.420 10.280 1.499 94 HG21 ILE 12 HG21 ILE 12 -0.594 13.539 -0.136 95 HG22 ILE 12 HG22 ILE 12 0.288 13.693 1.384 96 HG23 ILE 12 HG23 ILE 12 -1.225 14.569 1.147 97 HD11 ILE 12 HD11 ILE 12 0.035 11.644 -0.767 98 HD12 ILE 12 HD12 ILE 12 -1.568 10.909 -0.870 99 HD13 ILE 12 HD13 ILE 12 -0.158 9.908 -0.526 100 H ALA 13 HN ALA 13 -3.991 13.535 2.782 101 HA ALA 13 HA ALA 13 -3.741 16.251 3.109 102 HB1 ALA 13 HB1 ALA 13 -6.116 14.533 3.903 103 HB2 ALA 13 HB2 ALA 13 -5.770 15.125 2.277 104 HB3 ALA 13 HB3 ALA 13 -6.162 16.267 3.565 105 H GLU 14 HN GLU 14 -4.488 13.871 5.634 106 HA GLU 14 HA GLU 14 -4.751 15.770 7.764 107 HB2 GLU 14 HB2 GLU 14 -4.488 12.737 7.761 108 HB3 GLU 14 HB1 GLU 14 -4.817 13.684 9.210 109 HG2 GLU 14 HG2 GLU 14 -6.595 13.563 6.757 110 HG3 GLU 14 HG1 GLU 14 -6.845 12.638 8.232 111 H THR 15 HN THR 15 -2.092 13.763 6.570 112 HA THR 15 HA THR 15 -0.492 13.927 8.964 113 HB THR 15 HB THR 15 0.202 12.946 6.159 114 HG1 THR 15 HG1 THR 15 -1.406 11.818 7.572 115 HG21 THR 15 HG21 THR 15 1.799 12.598 8.734 116 HG22 THR 15 HG22 THR 15 2.287 13.566 7.339 117 HG23 THR 15 HG23 THR 15 2.146 11.816 7.187 118 H CYS 16 HN CYS 16 -0.382 15.522 5.739 119 HA CYS 16 HA CYS 16 1.912 17.168 6.658 120 HB2 CYS 16 HB2 CYS 16 1.312 16.128 3.854 121 HB3 CYS 16 HB1 CYS 16 2.688 17.136 4.303 122 HG CYS 16 HG CYS 16 3.126 14.843 6.344 123 H ASP 17 HN ASP 17 -1.160 17.597 6.568 124 HA ASP 17 HA ASP 17 -2.673 19.237 6.229 125 HB2 ASP 17 HB2 ASP 17 -0.823 20.446 7.540 126 HB3 ASP 17 HB1 ASP 17 -0.293 21.139 6.015 127 H ILE 18 HN ILE 18 -2.099 17.788 3.936 128 HA ILE 18 HA ILE 18 -1.635 19.607 1.694 129 HB ILE 18 HB ILE 18 -2.254 16.610 1.647 130 HG12 ILE 18 HG12 ILE 18 -0.124 17.073 2.852 131 HG13 ILE 18 HG11 ILE 18 0.161 16.229 1.340 132 HG21 ILE 18 HG21 ILE 18 -2.770 17.705 -0.493 133 HG22 ILE 18 HG22 ILE 18 -1.372 16.646 -0.660 134 HG23 ILE 18 HG23 ILE 18 -1.146 18.396 -0.562 135 HD11 ILE 18 HD11 ILE 18 1.833 17.905 1.722 136 HD12 ILE 18 HD12 ILE 18 0.608 19.164 1.855 137 HD13 ILE 18 HD13 ILE 18 0.873 18.342 0.311 138 HA PRO 19 HA PRO 19 -6.130 20.424 1.280 139 HB2 PRO 19 HB2 PRO 19 -5.292 20.959 -1.578 140 HB3 PRO 19 HB1 PRO 19 -6.286 21.943 -0.497 141 HG2 PRO 19 HG2 PRO 19 -3.767 22.643 -0.982 142 HG3 PRO 19 HG1 PRO 19 -4.427 22.780 0.664 143 HD2 PRO 19 HD2 PRO 19 -2.596 20.669 -0.473 144 HD3 PRO 19 HD1 PRO 19 -2.564 21.453 1.124 145 H ARG 20 HN ARG 20 -7.369 18.629 1.255 146 HA ARG 20 HA ARG 20 -6.807 16.207 0.036 147 HB2 ARG 20 HB2 ARG 20 -8.267 16.383 1.986 148 HB3 ARG 20 HB1 ARG 20 -9.459 17.290 1.062 149 HG2 ARG 20 HG2 ARG 20 -10.239 15.017 1.363 150 HG3 ARG 20 HG1 ARG 20 -9.881 15.290 -0.341 151 HD2 ARG 20 HD2 ARG 20 -7.704 14.114 -0.030 152 HD3 ARG 20 HD1 ARG 20 -8.142 13.780 1.647 153 HE ARG 20 HE ARG 20 -9.125 12.471 -0.741 154 HH11 ARG 20 HH11 ARG 20 -9.876 13.112 2.648 155 HH12 ARG 20 HH12 ARG 20 -10.831 11.676 2.821 156 HH21 ARG 20 HH21 ARG 20 -10.385 10.601 -0.479 157 HH22 ARG 20 HH22 ARG 20 -11.111 10.257 1.057 158 H GLU 21 HN GLU 21 -8.900 18.844 -1.166 159 HA GLU 21 HA GLU 21 -10.013 17.323 -3.324 160 HB2 GLU 21 HB2 GLU 21 -10.949 19.444 -4.174 161 HB3 GLU 21 HB1 GLU 21 -11.291 19.211 -2.471 162 HG2 GLU 21 HG2 GLU 21 -8.966 20.923 -3.352 163 HG3 GLU 21 HG1 GLU 21 -10.598 21.578 -3.311 164 H THR 22 HN THR 22 -7.028 19.112 -2.959 165 HA THR 22 HA THR 22 -6.554 19.365 -5.831 166 HB THR 22 HB THR 22 -4.343 20.254 -5.288 167 HG1 THR 22 HG1 THR 22 -4.609 18.855 -3.023 168 HG21 THR 22 HG21 THR 22 -4.944 22.206 -3.912 169 HG22 THR 22 HG22 THR 22 -6.428 21.398 -3.402 170 HG23 THR 22 HG23 THR 22 -6.201 21.843 -5.097 171 H ILE 23 HN ILE 23 -6.219 16.874 -3.471 172 HA ILE 23 HA ILE 23 -3.889 15.545 -4.508 173 HB ILE 23 HB ILE 23 -6.104 14.635 -2.615 174 HG12 ILE 23 HG12 ILE 23 -3.242 15.494 -2.040 175 HG13 ILE 23 HG11 ILE 23 -4.682 16.455 -1.726 176 HG21 ILE 23 HG21 ILE 23 -4.709 12.717 -1.993 177 HG22 ILE 23 HG22 ILE 23 -3.518 13.174 -3.209 178 HG23 ILE 23 HG23 ILE 23 -5.130 12.661 -3.706 179 HD11 ILE 23 HD11 ILE 23 -3.940 13.855 -0.377 180 HD12 ILE 23 HD12 ILE 23 -5.415 14.777 -0.070 181 HD13 ILE 23 HD13 ILE 23 -3.841 15.472 0.318 182 H THR 24 HN THR 24 -4.162 15.108 -6.666 183 HA THR 24 HA THR 24 -6.488 13.624 -7.671 184 HB THR 24 HB THR 24 -5.364 13.920 -9.912 185 HG1 THR 24 HG1 THR 24 -3.539 15.689 -9.569 186 HG21 THR 24 HG21 THR 24 -5.638 16.364 -10.103 187 HG22 THR 24 HG22 THR 24 -5.612 16.514 -8.345 188 HG23 THR 24 HG23 THR 24 -6.942 15.662 -9.134 189 HA PRO 25 HA PRO 25 -4.308 9.655 -7.495 190 HB2 PRO 25 HB2 PRO 25 -5.321 8.315 -9.666 191 HB3 PRO 25 HB1 PRO 25 -6.268 8.607 -8.199 192 HG2 PRO 25 HG2 PRO 25 -6.261 10.171 -10.783 193 HG3 PRO 25 HG1 PRO 25 -7.652 9.601 -9.835 194 HD2 PRO 25 HD2 PRO 25 -6.780 12.155 -9.663 195 HD3 PRO 25 HD1 PRO 25 -7.428 11.304 -8.241 196 H GLU 26 HN GLU 26 -3.982 11.814 -10.213 197 HA GLU 26 HA GLU 26 -1.832 10.284 -11.493 198 HB2 GLU 26 HB2 GLU 26 -1.908 12.039 -13.214 199 HB3 GLU 26 HB1 GLU 26 -3.516 11.384 -12.934 200 HG2 GLU 26 HG2 GLU 26 -4.108 13.353 -11.586 201 HG3 GLU 26 HG1 GLU 26 -2.483 14.004 -11.799 202 H SER 27 HN SER 27 -2.062 12.188 -8.844 203 HA SER 27 HA SER 27 0.014 14.159 -9.281 204 HB2 SER 27 HB2 SER 27 -1.798 14.706 -7.739 205 HB3 SER 27 HB1 SER 27 -1.465 13.282 -6.762 206 HG SER 27 HG SER 27 -0.343 15.729 -6.654 207 H HIS 28 HN HIS 28 2.120 14.028 -8.607 208 HA HIS 28 HA HIS 28 3.118 11.462 -7.580 209 HB2 HIS 28 HB2 HIS 28 4.160 12.680 -9.605 210 HB3 HIS 28 HB1 HIS 28 4.775 13.875 -8.466 211 HD2 HIS 28 HD2 HIS 28 5.558 10.365 -9.778 212 HE1 HIS 28 HE1 HIS 28 8.348 11.251 -6.735 213 HE2 HIS 28 HE2 HIS 28 7.874 9.827 -8.767 214 H ALA 29 HN ALA 29 3.400 11.285 -5.398 215 HA ALA 29 HA ALA 29 2.960 13.099 -3.441 216 HB1 ALA 29 HB1 ALA 29 4.166 11.561 -1.940 217 HB2 ALA 29 HB2 ALA 29 4.907 10.768 -3.335 218 HB3 ALA 29 HB3 ALA 29 3.163 10.675 -3.093 219 H ILE 30 HN ILE 30 6.059 12.665 -5.174 220 HA ILE 30 HA ILE 30 7.462 14.321 -3.181 221 HB ILE 30 HB ILE 30 8.682 12.822 -5.548 222 HG12 ILE 30 HG12 ILE 30 8.403 11.907 -2.647 223 HG13 ILE 30 HG11 ILE 30 7.640 11.170 -4.053 224 HG21 ILE 30 HG21 ILE 30 10.084 14.658 -4.691 225 HG22 ILE 30 HG22 ILE 30 10.812 13.088 -4.343 226 HG23 ILE 30 HG23 ILE 30 9.990 13.978 -3.060 227 HD11 ILE 30 HD11 ILE 30 10.598 11.227 -3.451 228 HD12 ILE 30 HD12 ILE 30 9.869 10.532 -4.902 229 HD13 ILE 30 HD13 ILE 30 9.515 9.842 -3.317 230 H ASP 31 HN ASP 31 6.802 14.140 -6.697 231 HA ASP 31 HA ASP 31 8.306 16.532 -7.283 232 HB2 ASP 31 HB2 ASP 31 8.226 14.613 -8.875 233 HB3 ASP 31 HB1 ASP 31 6.508 14.896 -9.132 234 H ASP 32 HN ASP 32 4.872 15.680 -7.064 235 HA ASP 32 HA ASP 32 4.008 18.357 -7.900 236 HB2 ASP 32 HB2 ASP 32 2.798 16.372 -8.791 237 HB3 ASP 32 HB1 ASP 32 2.368 15.888 -7.154 238 H LEU 33 HN LEU 33 3.274 16.165 -5.137 239 HA LEU 33 HA LEU 33 2.024 18.231 -3.589 240 HB2 LEU 33 HB2 LEU 33 2.958 15.456 -2.759 241 HB3 LEU 33 HB1 LEU 33 1.912 16.490 -1.801 242 HG LEU 33 HG LEU 33 1.213 15.265 -4.496 243 HD11 LEU 33 HD11 LEU 33 1.309 13.584 -2.743 244 HD12 LEU 33 HD12 LEU 33 -0.354 13.855 -3.246 245 HD13 LEU 33 HD13 LEU 33 0.224 14.533 -1.721 246 HD21 LEU 33 HD21 LEU 33 -1.068 16.113 -4.110 247 HD22 LEU 33 HD22 LEU 33 0.105 17.418 -4.228 248 HD23 LEU 33 HD23 LEU 33 -0.514 16.944 -2.648 249 H GLY 34 HN GLY 34 5.314 17.351 -3.998 250 HA2 GLY 34 HA2 GLY 34 7.246 18.265 -3.157 251 HA3 GLY 34 HA1 GLY 34 6.251 19.428 -2.292 252 H ILE 35 HN ILE 35 6.217 15.897 -1.991 253 HA ILE 35 HA ILE 35 6.778 16.140 0.901 254 HB ILE 35 HB ILE 35 5.422 13.886 -0.651 255 HG12 ILE 35 HG12 ILE 35 4.174 15.899 1.277 256 HG13 ILE 35 HG11 ILE 35 4.053 15.988 -0.475 257 HG21 ILE 35 HG21 ILE 35 4.875 12.901 1.549 258 HG22 ILE 35 HG22 ILE 35 5.788 14.177 2.352 259 HG23 ILE 35 HG23 ILE 35 6.621 13.017 1.317 260 HD11 ILE 35 HD11 ILE 35 2.019 15.102 0.493 261 HD12 ILE 35 HD12 ILE 35 2.919 13.804 1.271 262 HD13 ILE 35 HD13 ILE 35 2.812 13.868 -0.487 263 H ASP 36 HN ASP 36 8.773 15.518 1.520 264 HA ASP 36 HA ASP 36 10.518 13.957 -0.223 265 HB2 ASP 36 HB2 ASP 36 11.405 15.987 0.911 266 HB3 ASP 36 HB1 ASP 36 11.008 15.293 2.480 267 H SER 37 HN SER 37 11.782 12.144 0.778 268 HA SER 37 HA SER 37 10.418 9.968 1.718 269 HB2 SER 37 HB2 SER 37 12.557 9.390 1.027 270 HB3 SER 37 HB1 SER 37 13.287 10.830 1.741 271 H LEU 38 HN LEU 38 12.139 12.378 3.751 272 HA LEU 38 HA LEU 38 11.832 11.311 6.289 273 HB2 LEU 38 HB2 LEU 38 12.099 14.122 5.251 274 HB3 LEU 38 HB1 LEU 38 11.639 13.932 6.933 275 HG LEU 38 HG LEU 38 13.709 12.653 7.375 276 HD11 LEU 38 HD11 LEU 38 15.505 12.513 5.735 277 HD12 LEU 38 HD12 LEU 38 14.458 13.227 4.505 278 HD13 LEU 38 HD13 LEU 38 14.071 11.648 5.191 279 HD21 LEU 38 HD21 LEU 38 15.278 14.529 7.233 280 HD22 LEU 38 HD22 LEU 38 13.681 15.071 7.741 281 HD23 LEU 38 HD23 LEU 38 14.216 15.349 6.083 282 H ASP 39 HN ASP 39 9.577 13.441 4.574 283 HA ASP 39 HA ASP 39 7.551 13.493 6.601 284 HB2 ASP 39 HB2 ASP 39 7.386 14.185 3.632 285 HB3 ASP 39 HB1 ASP 39 6.173 14.595 4.843 286 H PHE 40 HN PHE 40 8.227 11.520 3.777 287 HA PHE 40 HA PHE 40 5.543 10.508 3.489 288 HB2 PHE 40 HB2 PHE 40 7.272 10.884 1.588 289 HB3 PHE 40 HB1 PHE 40 8.018 9.379 2.118 290 HD1 PHE 40 HD1 PHE 40 4.909 10.876 0.740 291 HD2 PHE 40 HD2 PHE 40 7.018 7.237 1.527 292 HE1 PHE 40 HE1 PHE 40 3.278 9.626 -0.601 293 HE2 PHE 40 HE2 PHE 40 5.374 6.004 0.179 294 HZ PHE 40 HZ PHE 40 3.513 7.200 -0.884 295 H LEU 41 HN LEU 41 8.381 9.520 5.270 296 HA LEU 41 HA LEU 41 7.835 6.758 5.587 297 HB2 LEU 41 HB2 LEU 41 9.232 8.706 7.466 298 HB3 LEU 41 HB1 LEU 41 9.164 6.973 7.747 299 HG LEU 41 HG LEU 41 10.554 8.356 5.425 300 HD11 LEU 41 HD11 LEU 41 11.765 8.605 7.524 301 HD12 LEU 41 HD12 LEU 41 12.628 7.534 6.423 302 HD13 LEU 41 HD13 LEU 41 11.724 6.861 7.785 303 HD21 LEU 41 HD21 LEU 41 10.361 5.383 6.016 304 HD22 LEU 41 HD22 LEU 41 11.352 6.126 4.755 305 HD23 LEU 41 HD23 LEU 41 9.596 6.234 4.674 306 H ASP 42 HN ASP 42 6.682 9.608 7.370 307 HA ASP 42 HA ASP 42 5.159 8.144 9.329 308 HB2 ASP 42 HB2 ASP 42 6.028 10.500 9.667 309 HB3 ASP 42 HB1 ASP 42 4.836 11.065 8.503 310 H ILE 43 HN ILE 43 4.422 9.717 6.214 311 HA ILE 43 HA ILE 43 1.631 9.330 6.126 312 HB ILE 43 HB ILE 43 3.632 9.350 3.823 313 HG12 ILE 43 HG12 ILE 43 1.880 11.566 4.979 314 HG13 ILE 43 HG11 ILE 43 3.635 11.463 5.070 315 HG21 ILE 43 HG21 ILE 43 0.602 9.612 3.660 316 HG22 ILE 43 HG22 ILE 43 1.558 8.240 3.095 317 HG23 ILE 43 HG23 ILE 43 1.729 9.806 2.311 318 HD11 ILE 43 HD11 ILE 43 1.989 11.891 2.587 319 HD12 ILE 43 HD12 ILE 43 3.743 11.700 2.619 320 HD13 ILE 43 HD13 ILE 43 2.991 13.075 3.423 321 H ALA 44 HN ALA 44 4.314 7.203 5.132 322 HA ALA 44 HA ALA 44 2.577 5.258 3.913 323 HB1 ALA 44 HB1 ALA 44 4.650 3.994 3.503 324 HB2 ALA 44 HB2 ALA 44 5.558 5.132 4.506 325 HB3 ALA 44 HB3 ALA 44 4.823 5.674 2.995 326 H PHE 45 HN PHE 45 4.185 5.734 7.030 327 HA PHE 45 HA PHE 45 3.724 3.084 8.046 328 HB2 PHE 45 HB2 PHE 45 5.067 5.440 9.035 329 HB3 PHE 45 HB1 PHE 45 3.874 5.004 10.246 330 HD1 PHE 45 HD1 PHE 45 3.920 2.689 11.270 331 HD2 PHE 45 HD2 PHE 45 7.049 4.138 8.719 332 HE1 PHE 45 HE1 PHE 45 5.428 0.917 12.084 333 HE2 PHE 45 HE2 PHE 45 8.542 2.373 9.550 334 HZ PHE 45 HZ PHE 45 7.735 0.757 11.229 335 H ALA 46 HN ALA 46 1.837 6.017 7.917 336 HA ALA 46 HA ALA 46 -0.325 5.148 9.599 337 HB1 ALA 46 HB1 ALA 46 -1.595 6.997 8.573 338 HB2 ALA 46 HB2 ALA 46 -0.309 7.221 7.381 339 HB3 ALA 46 HB3 ALA 46 0.007 7.526 9.091 340 H ILE 47 HN ILE 47 0.467 4.871 6.164 341 HA ILE 47 HA ILE 47 -1.933 3.621 5.271 342 HB ILE 47 HB ILE 47 0.909 3.510 4.167 343 HG12 ILE 47 HG12 ILE 47 -1.503 5.089 3.175 344 HG13 ILE 47 HG11 ILE 47 -0.211 5.764 4.158 345 HG21 ILE 47 HG21 ILE 47 -1.628 2.524 2.823 346 HG22 ILE 47 HG22 ILE 47 -0.298 1.520 3.410 347 HG23 ILE 47 HG23 ILE 47 -0.032 2.635 2.073 348 HD11 ILE 47 HD11 ILE 47 0.084 4.663 1.362 349 HD12 ILE 47 HD12 ILE 47 1.379 5.355 2.343 350 HD13 ILE 47 HD13 ILE 47 0.030 6.365 1.822 351 H ASP 48 HN ASP 48 1.198 2.301 6.334 352 HA ASP 48 HA ASP 48 0.799 -0.434 6.114 353 HB2 ASP 48 HB2 ASP 48 2.345 1.094 8.262 354 HB3 ASP 48 HB1 ASP 48 2.466 -0.643 8.012 355 H LYS 49 HN LYS 49 0.219 1.674 8.846 356 HA LYS 49 HA LYS 49 -0.730 -0.214 10.696 357 HB2 LYS 49 HB2 LYS 49 0.219 2.100 11.119 358 HB3 LYS 49 HB1 LYS 49 -1.320 2.772 10.594 359 HG2 LYS 49 HG2 LYS 49 -2.437 1.609 12.483 360 HG3 LYS 49 HG1 LYS 49 -0.866 0.972 12.986 361 HD2 LYS 49 HD2 LYS 49 -0.048 3.331 13.253 362 HD3 LYS 49 HD1 LYS 49 -1.682 3.901 12.893 363 HE2 LYS 49 HE2 LYS 49 -1.250 3.863 15.312 364 HE3 LYS 49 HE1 LYS 49 -2.538 2.737 14.888 365 HZ1 LYS 49 HZ1 LYS 49 0.297 2.013 15.424 366 HZ2 LYS 49 HZ2 LYS 49 -0.937 0.929 15.018 367 HZ3 LYS 49 HZ3 LYS 49 -1.011 1.778 16.475 368 H ALA 50 HN ALA 50 -2.483 2.064 8.573 369 HA ALA 50 HA ALA 50 -5.107 1.520 9.447 370 HB1 ALA 50 HB1 ALA 50 -4.224 2.610 6.758 371 HB2 ALA 50 HB2 ALA 50 -4.499 3.566 8.217 372 HB3 ALA 50 HB3 ALA 50 -5.848 2.730 7.445 373 H PHE 51 HN PHE 51 -3.275 0.242 6.680 374 HA PHE 51 HA PHE 51 -5.461 -1.494 5.797 375 HB2 PHE 51 HB2 PHE 51 -2.677 -0.926 4.712 376 HB3 PHE 51 HB1 PHE 51 -3.744 -2.126 3.995 377 HD1 PHE 51 HD2 PHE 51 -3.251 1.511 4.549 378 HD2 PHE 51 HD1 PHE 51 -5.656 -1.478 2.661 379 HE1 PHE 51 HE2 PHE 51 -4.298 3.229 3.140 380 HE2 PHE 51 HE1 PHE 51 -6.702 0.248 1.271 381 HZ PHE 51 HZ PHE 51 -6.017 2.599 1.507 382 H GLY 52 HN GLY 52 -2.993 -1.802 8.072 383 HA2 GLY 52 HA2 GLY 52 -2.418 -3.595 9.404 384 HA3 GLY 52 HA1 GLY 52 -3.513 -4.605 8.473 385 H ILE 53 HN ILE 53 -1.259 -2.930 6.568 386 HA ILE 53 HA ILE 53 0.364 -5.370 6.159 387 HB ILE 53 HB ILE 53 0.891 -4.485 3.919 388 HG12 ILE 53 HG12 ILE 53 -1.122 -2.230 4.356 389 HG13 ILE 53 HG11 ILE 53 0.607 -1.994 4.547 390 HG21 ILE 53 HG21 ILE 53 -1.302 -4.802 2.858 391 HG22 ILE 53 HG22 ILE 53 -2.100 -4.576 4.416 392 HG23 ILE 53 HG23 ILE 53 -1.042 -5.964 4.160 393 HD11 ILE 53 HD11 ILE 53 0.934 -2.587 2.198 394 HD12 ILE 53 HD12 ILE 53 -0.172 -1.227 2.394 395 HD13 ILE 53 HD13 ILE 53 -0.808 -2.829 2.019 396 H LYS 54 HN LYS 54 2.621 -4.616 5.158 397 HA LYS 54 HA LYS 54 3.508 -2.002 6.163 398 HB2 LYS 54 HB2 LYS 54 5.005 -4.628 6.465 399 HB3 LYS 54 HB1 LYS 54 5.888 -3.120 6.316 400 HG2 LYS 54 HG2 LYS 54 5.817 -3.400 8.614 401 HG3 LYS 54 HG1 LYS 54 4.449 -2.324 8.347 402 HD2 LYS 54 HD2 LYS 54 3.834 -4.057 9.947 403 HD3 LYS 54 HD1 LYS 54 2.923 -4.296 8.457 404 HE2 LYS 54 HE2 LYS 54 4.427 -6.115 7.799 405 HE3 LYS 54 HE1 LYS 54 5.431 -5.829 9.225 406 HZ1 LYS 54 HZ1 LYS 54 2.579 -6.642 9.293 407 HZ2 LYS 54 HZ2 LYS 54 3.604 -6.460 10.625 408 HZ3 LYS 54 HZ3 LYS 54 3.896 -7.685 9.499 409 H LEU 55 HN LEU 55 3.935 -0.797 4.406 410 HA LEU 55 HA LEU 55 4.653 -1.818 1.854 411 HB2 LEU 55 HB2 LEU 55 4.948 0.989 3.010 412 HB3 LEU 55 HB1 LEU 55 5.198 0.569 1.322 413 HG LEU 55 HG LEU 55 2.543 0.459 2.822 414 HD11 LEU 55 HD11 LEU 55 3.477 2.363 0.650 415 HD12 LEU 55 HD12 LEU 55 3.249 2.746 2.358 416 HD13 LEU 55 HD13 LEU 55 1.861 2.312 1.366 417 HD21 LEU 55 HD21 LEU 55 1.491 -0.109 0.693 418 HD22 LEU 55 HD22 LEU 55 2.671 -1.335 1.144 419 HD23 LEU 55 HD23 LEU 55 3.067 -0.152 -0.105 420 HA PRO 56 HA PRO 56 9.065 -2.210 2.980 421 HB2 PRO 56 HB2 PRO 56 9.441 -2.974 0.134 422 HB3 PRO 56 HB1 PRO 56 9.755 -3.916 1.594 423 HG2 PRO 56 HG2 PRO 56 7.715 -4.534 -0.061 424 HG3 PRO 56 HG1 PRO 56 7.574 -4.734 1.701 425 HD2 PRO 56 HD2 PRO 56 6.570 -2.457 -0.024 426 HD3 PRO 56 HD1 PRO 56 5.718 -3.366 1.250 427 H LEU 57 HN LEU 57 8.513 0.283 2.976 428 HA LEU 57 HA LEU 57 8.777 1.846 0.639 429 HB2 LEU 57 HB2 LEU 57 7.570 2.351 2.932 430 HB3 LEU 57 HB1 LEU 57 9.134 2.913 3.476 431 HG LEU 57 HG LEU 57 7.585 4.750 2.790 432 HD11 LEU 57 HD11 LEU 57 9.988 5.173 2.693 433 HD12 LEU 57 HD12 LEU 57 9.114 6.076 1.462 434 HD13 LEU 57 HD13 LEU 57 10.032 4.634 1.013 435 HD21 LEU 57 HD21 LEU 57 7.015 5.109 0.447 436 HD22 LEU 57 HD22 LEU 57 6.380 3.574 1.031 437 HD23 LEU 57 HD23 LEU 57 7.815 3.598 -0.000 438 H GLU 58 HN GLU 58 11.012 1.014 3.284 439 HA GLU 58 HA GLU 58 13.128 2.786 2.584 440 HB2 GLU 58 HB2 GLU 58 13.203 0.188 4.178 441 HB3 GLU 58 HB1 GLU 58 14.522 1.356 4.102 442 HG2 GLU 58 HG2 GLU 58 13.093 3.059 5.156 443 HG3 GLU 58 HG1 GLU 58 11.750 1.915 5.198 444 H LYS 59 HN LYS 59 12.396 -0.587 1.637 445 HA LYS 59 HA LYS 59 14.872 -0.959 0.197 446 HB2 LYS 59 HB2 LYS 59 14.202 -3.103 -0.314 447 HB3 LYS 59 HB1 LYS 59 13.150 -2.821 1.066 448 HG2 LYS 59 HG2 LYS 59 11.289 -2.298 -0.477 449 HG3 LYS 59 HG1 LYS 59 12.349 -2.552 -1.850 450 HD2 LYS 59 HD2 LYS 59 11.760 -4.720 0.198 451 HD3 LYS 59 HD1 LYS 59 10.790 -4.490 -1.258 452 HE2 LYS 59 HE2 LYS 59 13.780 -5.035 -1.276 453 HE3 LYS 59 HE1 LYS 59 12.533 -6.270 -1.478 454 HZ1 LYS 59 HZ1 LYS 59 11.766 -5.194 -3.453 455 HZ2 LYS 59 HZ2 LYS 59 13.433 -5.438 -3.594 456 HZ3 LYS 59 HZ3 LYS 59 12.830 -3.900 -3.235 457 H TRP 60 HN TRP 60 11.582 0.084 -0.634 458 HA TRP 60 HA TRP 60 11.817 0.317 -3.441 459 HB2 TRP 60 HB2 TRP 60 10.125 1.900 -1.452 460 HB3 TRP 60 HB1 TRP 60 9.972 2.074 -3.195 461 HD1 TRP 60 HD1 TRP 60 10.392 -1.486 -2.948 462 HE1 TRP 60 HE1 TRP 60 8.135 -2.702 -2.820 463 HE3 TRP 60 HE3 TRP 60 7.402 2.476 -1.701 464 HZ2 TRP 60 HZ2 TRP 60 5.445 -2.080 -2.258 465 HZ3 TRP 60 HZ3 TRP 60 4.985 2.082 -1.396 466 HH2 TRP 60 HH2 TRP 60 4.030 -0.154 -1.672 467 H THR 61 HN THR 61 12.656 2.497 -0.803 468 HA THR 61 HA THR 61 13.355 4.796 -2.302 469 HB THR 61 HB THR 61 14.331 3.899 0.455 470 HG1 THR 61 HG1 THR 61 11.930 4.402 -0.163 471 HG21 THR 61 HG21 THR 61 14.803 6.281 0.869 472 HG22 THR 61 HG22 THR 61 14.338 6.676 -0.787 473 HG23 THR 61 HG23 THR 61 15.766 5.683 -0.482 474 H GLN 62 HN GLN 62 15.173 1.883 -1.269 475 HA GLN 62 HA GLN 62 17.755 2.843 -2.104 476 HB2 GLN 62 HB2 GLN 62 16.752 0.035 -1.458 477 HB3 GLN 62 HB1 GLN 62 18.439 0.441 -1.768 478 HG2 GLN 62 HG2 GLN 62 18.403 1.958 0.199 479 HG3 GLN 62 HG1 GLN 62 16.747 1.462 0.525 480 HE21 GLN 62 HE21 GLN 62 20.100 0.442 0.522 481 HE22 GLN 62 HE22 GLN 62 19.871 -0.971 1.492 482 H GLU 63 HN GLU 63 15.121 0.993 -3.525 483 HA GLU 63 HA GLU 63 16.439 0.046 -5.866 484 HB2 GLU 63 HB2 GLU 63 13.469 0.574 -5.355 485 HB3 GLU 63 HB1 GLU 63 14.100 -0.216 -6.801 486 HG2 GLU 63 HG2 GLU 63 15.026 -2.030 -5.383 487 HG3 GLU 63 HG1 GLU 63 14.342 -1.254 -3.966 488 H VAL 64 HN VAL 64 14.517 2.946 -5.190 489 HA VAL 64 HA VAL 64 14.594 4.148 -7.744 490 HB VAL 64 HB VAL 64 14.292 5.392 -4.978 491 HG11 VAL 64 HG11 VAL 64 13.904 6.748 -7.682 492 HG12 VAL 64 HG12 VAL 64 15.161 7.126 -6.499 493 HG13 VAL 64 HG13 VAL 64 13.469 7.443 -6.119 494 HG21 VAL 64 HG21 VAL 64 12.450 3.871 -5.629 495 HG22 VAL 64 HG22 VAL 64 12.215 4.770 -7.129 496 HG23 VAL 64 HG23 VAL 64 11.886 5.544 -5.578 497 H ASN 65 HN ASN 65 16.668 4.670 -4.873 498 HA ASN 65 HA ASN 65 18.484 6.479 -6.009 499 HB2 ASN 65 HB2 ASN 65 18.884 4.561 -3.672 500 HB3 ASN 65 HB1 ASN 65 19.969 5.892 -4.064 501 HD21 ASN 65 HD21 ASN 65 18.400 5.402 -1.636 502 HD22 ASN 65 HD22 ASN 65 17.420 6.805 -1.418 503 H ASP 66 HN ASP 66 18.451 2.935 -6.149 504 HA ASP 66 HA ASP 66 21.177 2.779 -7.184 505 HB2 ASP 66 HB2 ASP 66 20.166 1.086 -5.554 506 HB3 ASP 66 HB1 ASP 66 19.161 0.508 -6.874 507 H GLY 67 HN GLY 67 18.204 3.471 -8.574 508 HA2 GLY 67 HA2 GLY 67 17.422 3.489 -10.731 509 HA3 GLY 67 HA1 GLY 67 18.973 2.855 -11.249 510 H LYS 68 HN LYS 68 17.607 0.805 -8.916 511 HA LYS 68 HA LYS 68 16.925 -1.339 -10.655 512 HB2 LYS 68 HB2 LYS 68 16.066 -0.824 -7.774 513 HB3 LYS 68 HB1 LYS 68 15.800 -2.340 -8.626 514 HG2 LYS 68 HG2 LYS 68 18.212 -2.704 -8.774 515 HG3 LYS 68 HG1 LYS 68 18.515 -1.148 -7.995 516 HD2 LYS 68 HD2 LYS 68 17.389 -1.953 -5.939 517 HD3 LYS 68 HD1 LYS 68 17.053 -3.501 -6.722 518 HE2 LYS 68 HE2 LYS 68 19.464 -3.958 -6.880 519 HE3 LYS 68 HE1 LYS 68 19.826 -2.393 -6.144 520 HZ1 LYS 68 HZ1 LYS 68 18.316 -4.596 -4.848 521 HZ2 LYS 68 HZ2 LYS 68 18.700 -3.109 -4.138 522 HZ3 LYS 68 HZ3 LYS 68 19.927 -4.196 -4.545 523 H ALA 69 HN ALA 69 15.064 1.186 -9.124 524 HA ALA 69 HA ALA 69 12.839 0.873 -11.001 525 HB1 ALA 69 HB1 ALA 69 12.133 -0.396 -8.984 526 HB2 ALA 69 HB2 ALA 69 11.164 1.065 -9.181 527 HB3 ALA 69 HB3 ALA 69 12.454 1.020 -7.974 528 H THR 70 HN THR 70 11.318 2.908 -10.551 529 HA THR 70 HA THR 70 13.015 5.277 -10.017 530 HB THR 70 HB THR 70 10.885 5.279 -12.203 531 HG1 THR 70 HG1 THR 70 13.138 3.822 -12.281 532 HG21 THR 70 HG21 THR 70 13.436 6.894 -11.825 533 HG22 THR 70 HG22 THR 70 11.803 7.471 -11.488 534 HG23 THR 70 HG23 THR 70 12.268 7.088 -13.145 535 H THR 71 HN THR 71 11.625 7.285 -9.676 536 HA THR 71 HA THR 71 10.263 6.963 -7.282 537 HB THR 71 HB THR 71 9.535 9.388 -7.549 538 HG1 THR 71 HG1 THR 71 10.905 10.259 -9.515 539 HG21 THR 71 HG21 THR 71 12.470 8.803 -8.070 540 HG22 THR 71 HG22 THR 71 11.686 8.818 -6.488 541 HG23 THR 71 HG23 THR 71 11.824 10.308 -7.427 542 H GLU 72 HN GLU 72 8.715 8.087 -10.336 543 HA GLU 72 HA GLU 72 6.125 8.269 -9.463 544 HB2 GLU 72 HB2 GLU 72 5.411 8.368 -11.760 545 HB3 GLU 72 HB1 GLU 72 7.007 9.085 -11.671 546 HG2 GLU 72 HG2 GLU 72 6.300 6.358 -12.774 547 HG3 GLU 72 HG1 GLU 72 6.798 7.773 -13.695 548 H GLN 73 HN GLN 73 7.729 5.350 -10.445 549 HA GLN 73 HA GLN 73 5.572 3.596 -10.837 550 HB2 GLN 73 HB2 GLN 73 8.014 3.263 -11.449 551 HB3 GLN 73 HB1 GLN 73 8.341 2.875 -9.771 552 HG2 GLN 73 HG2 GLN 73 6.224 1.281 -11.153 553 HG3 GLN 73 HG1 GLN 73 7.887 1.004 -11.663 554 HE21 GLN 73 HE21 GLN 73 9.350 0.105 -10.181 555 HE22 GLN 73 HE22 GLN 73 8.819 -0.721 -8.761 556 H TYR 74 HN TYR 74 7.100 4.695 -7.865 557 HA TYR 74 HA TYR 74 5.229 3.075 -6.220 558 HB2 TYR 74 HB2 TYR 74 7.772 4.528 -5.359 559 HB3 TYR 74 HB1 TYR 74 6.743 3.553 -4.315 560 HD1 TYR 74 HD2 TYR 74 6.269 1.083 -5.447 561 HD2 TYR 74 HD1 TYR 74 9.779 3.461 -5.975 562 HE1 TYR 74 HE2 TYR 74 7.547 -0.934 -5.996 563 HE2 TYR 74 HE1 TYR 74 11.058 1.443 -6.530 564 HH TYR 74 HH TYR 74 10.903 -1.019 -6.112 565 H PHE 75 HN PHE 75 5.994 6.389 -7.156 566 HA PHE 75 HA PHE 75 4.686 7.473 -4.732 567 HB2 PHE 75 HB2 PHE 75 6.995 8.544 -6.394 568 HB3 PHE 75 HB1 PHE 75 6.165 9.511 -5.184 569 HD1 PHE 75 HD2 PHE 75 6.347 8.923 -2.765 570 HD2 PHE 75 HD1 PHE 75 8.654 6.873 -5.729 571 HE1 PHE 75 HE2 PHE 75 7.881 8.111 -1.030 572 HE2 PHE 75 HE1 PHE 75 10.175 6.062 -3.981 573 HZ PHE 75 HZ PHE 75 9.785 6.662 -1.625 574 H VAL 76 HN VAL 76 3.749 6.968 -7.813 575 HA VAL 76 HA VAL 76 2.231 9.521 -7.925 576 HB VAL 76 HB VAL 76 2.352 7.206 -9.922 577 HG11 VAL 76 HG11 VAL 76 0.460 9.595 -9.998 578 HG12 VAL 76 HG12 VAL 76 0.001 7.903 -9.789 579 HG13 VAL 76 HG13 VAL 76 0.705 8.435 -11.315 580 HG21 VAL 76 HG21 VAL 76 4.186 8.857 -10.088 581 HG22 VAL 76 HG22 VAL 76 3.012 10.164 -10.238 582 HG23 VAL 76 HG23 VAL 76 3.134 8.938 -11.504 583 H LEU 77 HN LEU 77 0.163 9.557 -7.192 584 HA LEU 77 HA LEU 77 -0.307 7.867 -5.034 585 HB2 LEU 77 HB2 LEU 77 -2.269 9.792 -6.313 586 HB3 LEU 77 HB1 LEU 77 -2.360 9.157 -4.674 587 HG LEU 77 HG LEU 77 -0.258 11.050 -5.782 588 HD11 LEU 77 HD11 LEU 77 -2.325 11.479 -3.626 589 HD12 LEU 77 HD12 LEU 77 -2.366 12.120 -5.272 590 HD13 LEU 77 HD13 LEU 77 -1.103 12.637 -4.163 591 HD21 LEU 77 HD21 LEU 77 -0.326 9.800 -3.016 592 HD22 LEU 77 HD22 LEU 77 0.764 11.091 -3.534 593 HD23 LEU 77 HD23 LEU 77 0.869 9.499 -4.279 594 H LYS 78 HN LYS 78 -1.591 7.535 -8.314 595 HA LYS 78 HA LYS 78 -3.568 5.532 -7.571 596 HB2 LYS 78 HB2 LYS 78 -3.867 5.168 -9.997 597 HB3 LYS 78 HB1 LYS 78 -3.951 6.875 -9.582 598 HG2 LYS 78 HG2 LYS 78 -1.619 7.168 -10.388 599 HG3 LYS 78 HG1 LYS 78 -1.581 5.467 -10.854 600 HD2 LYS 78 HD2 LYS 78 -3.453 5.892 -12.447 601 HD3 LYS 78 HD1 LYS 78 -3.432 7.600 -11.992 602 HE2 LYS 78 HE2 LYS 78 -2.224 7.229 -14.103 603 HE3 LYS 78 HE1 LYS 78 -1.127 7.809 -12.849 604 HZ1 LYS 78 HZ1 LYS 78 -0.124 6.014 -14.090 605 HZ2 LYS 78 HZ2 LYS 78 -1.423 4.984 -13.748 606 HZ3 LYS 78 HZ3 LYS 78 -0.408 5.510 -12.503 607 H ASN 79 HN ASN 79 -0.259 5.554 -8.840 608 HA ASN 79 HA ASN 79 0.128 2.754 -9.207 609 HB2 ASN 79 HB2 ASN 79 2.188 4.944 -8.623 610 HB3 ASN 79 HB1 ASN 79 2.591 3.297 -9.109 611 HD21 ASN 79 HD21 ASN 79 3.707 4.143 -10.906 612 HD22 ASN 79 HD22 ASN 79 2.868 4.728 -12.296 613 H LEU 80 HN LEU 80 0.753 4.960 -6.532 614 HA LEU 80 HA LEU 80 1.874 3.215 -4.656 615 HB2 LEU 80 HB2 LEU 80 1.982 5.683 -4.443 616 HB3 LEU 80 HB1 LEU 80 0.237 5.757 -4.250 617 HG LEU 80 HG LEU 80 0.460 4.491 -2.090 618 HD11 LEU 80 HD11 LEU 80 3.447 4.820 -2.476 619 HD12 LEU 80 HD12 LEU 80 2.543 3.306 -2.492 620 HD13 LEU 80 HD13 LEU 80 2.647 4.242 -1.005 621 HD21 LEU 80 HD21 LEU 80 1.293 6.364 -0.748 622 HD22 LEU 80 HD22 LEU 80 0.260 6.921 -2.059 623 HD23 LEU 80 HD23 LEU 80 2.009 7.097 -2.194 624 H ALA 81 HN ALA 81 -1.504 4.281 -5.243 625 HA ALA 81 HA ALA 81 -2.732 2.820 -3.142 626 HB1 ALA 81 HB1 ALA 81 -3.833 4.727 -4.273 627 HB2 ALA 81 HB2 ALA 81 -4.852 3.285 -4.304 628 HB3 ALA 81 HB3 ALA 81 -3.963 3.771 -5.752 629 H ALA 82 HN ALA 82 -1.656 1.908 -6.347 630 HA ALA 82 HA ALA 82 -3.087 -0.604 -6.433 631 HB1 ALA 82 HB1 ALA 82 -1.743 -1.039 -8.455 632 HB2 ALA 82 HB2 ALA 82 -0.777 0.404 -8.136 633 HB3 ALA 82 HB3 ALA 82 -2.492 0.559 -8.522 634 H ARG 83 HN ARG 83 0.225 0.494 -5.646 635 HA ARG 83 HA ARG 83 1.523 -1.969 -5.207 636 HB2 ARG 83 HB2 ARG 83 1.965 0.714 -3.827 637 HB3 ARG 83 HB1 ARG 83 3.058 -0.654 -3.674 638 HG2 ARG 83 HG2 ARG 83 2.442 0.561 -6.373 639 HG3 ARG 83 HG1 ARG 83 3.656 1.259 -5.308 640 HD2 ARG 83 HD2 ARG 83 4.831 -0.139 -6.829 641 HD3 ARG 83 HD1 ARG 83 4.809 -0.997 -5.290 642 HE ARG 83 HE ARG 83 2.710 -2.115 -6.543 643 HH11 ARG 83 HH11 ARG 83 5.920 -1.418 -7.789 644 HH12 ARG 83 HH12 ARG 83 5.962 -2.816 -8.806 645 HH21 ARG 83 HH21 ARG 83 2.795 -3.956 -7.909 646 HH22 ARG 83 HH22 ARG 83 4.198 -4.237 -8.886 647 H ILE 84 HN ILE 84 -0.236 0.122 -2.989 648 HA ILE 84 HA ILE 84 0.005 -1.346 -0.582 649 HB ILE 84 HB ILE 84 -2.189 0.568 -1.501 650 HG12 ILE 84 HG12 ILE 84 0.221 1.233 0.235 651 HG13 ILE 84 HG11 ILE 84 0.219 1.449 -1.509 652 HG21 ILE 84 HG21 ILE 84 -2.675 0.939 0.891 653 HG22 ILE 84 HG22 ILE 84 -1.500 -0.300 1.332 654 HG23 ILE 84 HG23 ILE 84 -2.952 -0.740 0.429 655 HD11 ILE 84 HD11 ILE 84 -1.662 2.817 0.405 656 HD12 ILE 84 HD12 ILE 84 -1.562 3.066 -1.340 657 HD13 ILE 84 HD13 ILE 84 -0.210 3.519 -0.305 658 H ASP 85 HN ASP 85 -2.601 -1.170 -3.037 659 HA ASP 85 HA ASP 85 -4.433 -2.934 -1.845 660 HB2 ASP 85 HB2 ASP 85 -5.041 -1.335 -3.620 661 HB3 ASP 85 HB1 ASP 85 -4.055 -2.209 -4.785 662 H GLU 86 HN GLU 86 -1.780 -3.592 -4.121 663 HA GLU 86 HA GLU 86 -2.224 -6.351 -4.593 664 HB2 GLU 86 HB2 GLU 86 0.317 -4.677 -4.567 665 HB3 GLU 86 HB1 GLU 86 0.312 -6.375 -5.025 666 HG2 GLU 86 HG2 GLU 86 -1.081 -5.939 -6.927 667 HG3 GLU 86 HG1 GLU 86 -1.333 -4.263 -6.430 668 H LEU 87 HN LEU 87 -0.325 -4.624 -2.123 669 HA LEU 87 HA LEU 87 0.655 -6.995 -0.850 670 HB2 LEU 87 HB2 LEU 87 0.629 -4.108 0.093 671 HB3 LEU 87 HB1 LEU 87 1.491 -5.409 0.904 672 HG LEU 87 HG LEU 87 2.062 -4.372 -1.900 673 HD11 LEU 87 HD11 LEU 87 3.665 -4.043 0.645 674 HD12 LEU 87 HD12 LEU 87 2.741 -2.793 -0.191 675 HD13 LEU 87 HD13 LEU 87 4.147 -3.511 -0.970 676 HD21 LEU 87 HD21 LEU 87 3.529 -6.527 -0.348 677 HD22 LEU 87 HD22 LEU 87 4.024 -5.852 -1.903 678 HD23 LEU 87 HD23 LEU 87 2.527 -6.769 -1.778 679 H VAL 88 HN VAL 88 -2.230 -5.028 -0.407 680 HA VAL 88 HA VAL 88 -2.970 -6.066 2.175 681 HB VAL 88 HB VAL 88 -4.672 -4.646 0.069 682 HG11 VAL 88 HG11 VAL 88 -5.348 -5.304 2.964 683 HG12 VAL 88 HG12 VAL 88 -6.123 -5.977 1.527 684 HG13 VAL 88 HG13 VAL 88 -6.308 -4.268 1.904 685 HG21 VAL 88 HG21 VAL 88 -2.830 -3.253 0.997 686 HG22 VAL 88 HG22 VAL 88 -3.437 -3.542 2.624 687 HG23 VAL 88 HG23 VAL 88 -4.418 -2.645 1.464 688 H ALA 89 HN ALA 89 -3.906 -6.800 -1.183 689 HA ALA 89 HA ALA 89 -5.704 -8.936 -0.622 690 HB1 ALA 89 HB1 ALA 89 -5.690 -7.739 -2.790 691 HB2 ALA 89 HB2 ALA 89 -5.476 -9.476 -3.025 692 HB3 ALA 89 HB3 ALA 89 -4.088 -8.390 -3.142 693 H ALA 90 HN ALA 90 -2.236 -8.725 -1.164 694 HA ALA 90 HA ALA 90 -1.613 -11.496 -1.173 695 HB1 ALA 90 HB1 ALA 90 0.718 -10.768 -0.818 696 HB2 ALA 90 HB2 ALA 90 0.161 -9.133 -0.445 697 HB3 ALA 90 HB3 ALA 90 -0.064 -9.792 -2.065 698 H LYS 91 HN LYS 91 -1.774 -9.035 1.412 699 HA LYS 91 HA LYS 91 -0.584 -10.751 3.433 700 HB2 LYS 91 HB2 LYS 91 -0.328 -8.254 3.410 701 HB3 LYS 91 HB1 LYS 91 -2.037 -8.075 3.726 702 HG2 LYS 91 HG2 LYS 91 -0.267 -9.549 5.695 703 HG3 LYS 91 HG1 LYS 91 -0.302 -7.788 5.670 704 HD2 LYS 91 HD2 LYS 91 -2.677 -9.624 6.179 705 HD3 LYS 91 HD1 LYS 91 -1.833 -8.656 7.385 706 HE2 LYS 91 HE2 LYS 91 -2.618 -6.594 6.346 707 HE3 LYS 91 HE1 LYS 91 -3.333 -7.496 5.009 708 HZ1 LYS 91 HZ1 LYS 91 -4.968 -6.821 6.627 709 HZ2 LYS 91 HZ2 LYS 91 -4.165 -7.679 7.845 710 HZ3 LYS 91 HZ3 LYS 91 -4.861 -8.506 6.541 711 H GLY 92 HN GLY 92 -3.783 -9.986 2.251 712 HA2 GLY 92 HA2 GLY 92 -5.335 -10.838 4.489 713 HA3 GLY 92 HA1 GLY 92 -5.903 -10.623 2.843 714 H ALA 93 HN ALA 93 -4.162 -12.448 1.572 715 HA ALA 93 HA ALA 93 -5.424 -15.013 2.403 716 HB1 ALA 93 HB1 ALA 93 -5.349 -15.637 0.018 717 HB2 ALA 93 HB2 ALA 93 -4.603 -14.085 -0.373 718 HB3 ALA 93 HB3 ALA 93 -6.250 -14.138 0.259 719 H LEU 94 HN LEU 94 -2.630 -13.885 0.516 720 HA LEU 94 HA LEU 94 -0.420 -14.341 0.481 721 HB2 LEU 94 HB2 LEU 94 -0.934 -16.196 2.827 722 HB3 LEU 94 HB1 LEU 94 0.630 -16.093 2.042 723 HG LEU 94 HG LEU 94 -0.756 -13.775 3.453 724 HD11 LEU 94 HD11 LEU 94 1.576 -15.487 4.386 725 HD12 LEU 94 HD12 LEU 94 -0.063 -15.505 5.041 726 HD13 LEU 94 HD13 LEU 94 0.929 -14.063 5.210 727 HD21 LEU 94 HD21 LEU 94 1.398 -12.594 3.213 728 HD22 LEU 94 HD22 LEU 94 0.701 -12.986 1.646 729 HD23 LEU 94 HD23 LEU 94 2.043 -13.945 2.270 730 H GLU 95 HN GLU 95 0.524 -15.462 -1.088 731 HA GLU 95 HA GLU 95 -0.786 -17.793 -2.207 732 HB2 GLU 95 HB2 GLU 95 1.728 -16.312 -3.079 733 HB3 GLU 95 HB1 GLU 95 0.917 -17.578 -3.998 734 HG2 GLU 95 HG2 GLU 95 -1.114 -16.143 -4.121 735 HG3 GLU 95 HG1 GLU 95 -0.245 -14.867 -3.277 736 H HIS 96 HN HIS 96 -0.568 -19.368 -0.698 737 HA HIS 96 HA HIS 96 1.810 -19.886 0.812 738 HB2 HIS 96 HB2 HIS 96 -0.687 -21.623 0.519 739 HB3 HIS 96 HB1 HIS 96 0.538 -21.781 1.772 740 HD1 HIS 96 HD1 HIS 96 0.695 -19.642 3.442 741 HD2 HIS 96 HD2 HIS 96 -2.762 -19.979 1.169 742 HE1 HIS 96 HE1 HIS 96 -0.999 -18.189 4.583 743 HE2 HIS 96 HE2 HIS 96 -2.988 -18.218 3.048 744 H HIS 97 HN HIS 97 3.503 -20.432 -0.509 745 HA HIS 97 HA HIS 97 4.939 -21.629 -1.745 746 HB2 HIS 97 HB2 HIS 97 4.496 -23.568 -0.340 747 HB3 HIS 97 HB1 HIS 97 3.023 -23.936 -1.228 748 HD1 HIS 97 HD1 HIS 97 6.790 -23.868 -1.789 749 HD2 HIS 97 HD2 HIS 97 3.367 -25.677 -3.309 750 HE1 HIS 97 HE1 HIS 97 7.601 -25.542 -3.484 751 HE2 HIS 97 HE2 HIS 97 5.527 -26.753 -4.240 752 H HIS 98 HN HIS 98 1.921 -23.176 -2.898 753 HA HIS 98 HA HIS 98 2.540 -22.818 -5.661 754 HB2 HIS 98 HB2 HIS 98 1.169 -24.721 -4.967 755 HB3 HIS 98 HB1 HIS 98 -0.030 -23.656 -4.241 756 HD1 HIS 98 HD1 HIS 98 -2.000 -24.300 -5.653 757 HD2 HIS 98 HD2 HIS 98 1.261 -23.195 -7.966 758 HE1 HIS 98 HE1 HIS 98 -2.879 -24.124 -7.990 759 HE2 HIS 98 HE2 HIS 98 -0.956 -23.160 -9.293 760 H HIS 99 HN HIS 99 2.938 -20.562 -5.786 761 HA HIS 99 HA HIS 99 0.788 -18.646 -5.577 762 HB2 HIS 99 HB2 HIS 99 2.395 -17.113 -6.791 763 HB3 HIS 99 HB1 HIS 99 3.035 -17.790 -5.302 764 HD1 HIS 99 HD1 HIS 99 5.166 -19.131 -5.453 765 HD2 HIS 99 HD2 HIS 99 3.588 -18.179 -9.172 766 HE1 HIS 99 HE1 HIS 99 6.965 -19.706 -7.114 767 HE2 HIS 99 HE2 HIS 99 6.052 -18.930 -9.334 768 H HIS 100 HN HIS 100 -0.133 -17.535 -7.454 769 HA HIS 100 HA HIS 100 -1.513 -17.570 -9.220 770 HB2 HIS 100 HB2 HIS 100 0.321 -17.691 -10.756 771 HB3 HIS 100 HB1 HIS 100 0.627 -19.382 -10.389 772 HD1 HIS 100 HD1 HIS 100 -0.295 -20.997 -12.011 773 HD2 HIS 100 HD2 HIS 100 -2.323 -17.379 -12.173 774 HE1 HIS 100 HE1 HIS 100 -1.926 -21.227 -13.904 775 HE2 HIS 100 HE2 HIS 100 -3.259 -19.100 -13.852 776 H HIS 101 HN HIS 101 -3.291 -18.398 -8.254 777 HA HIS 101 HA HIS 101 -3.791 -21.282 -8.179 778 HB2 HIS 101 HB2 HIS 101 -4.499 -19.758 -6.269 779 HB3 HIS 101 HB1 HIS 101 -5.635 -18.980 -7.365 780 HD1 HIS 101 HD1 HIS 101 -5.313 -21.712 -5.022 781 HD2 HIS 101 HD2 HIS 101 -7.722 -20.880 -8.301 782 HE1 HIS 101 HE1 HIS 101 -7.254 -23.287 -4.835 783 HE2 HIS 101 HE2 HIS 101 -8.738 -22.736 -6.799 784 H282 PNS 102 H282 PNS 102 17.006 10.731 3.908 785 H281 PNS 102 H281 PNS 102 17.205 9.658 2.516 786 H303 PNS 102 H303 PNS 102 16.688 13.265 3.525 787 H302 PNS 102 H302 PNS 102 16.706 13.909 1.882 788 H301 PNS 102 H301 PNS 102 15.349 12.917 2.429 789 H313 PNS 102 H313 PNS 102 17.088 12.380 -0.081 790 H312 PNS 102 H312 PNS 102 17.263 10.638 0.153 791 H311 PNS 102 H311 PNS 102 15.703 11.422 0.429 792 H32 PNS 102 H32 PNS 102 18.986 12.925 1.614 793 H33 PNS 102 H33 PNS 102 19.762 11.655 3.775 794 H36 PNS 102 H36 PNS 102 21.542 10.386 1.117 795 H372 PNS 102 H372 PNS 102 21.313 12.768 2.722 796 H371 PNS 102 H371 PNS 102 22.733 12.184 1.862 797 H382 PNS 102 H382 PNS 102 21.910 13.127 -0.237 798 H381 PNS 102 H381 PNS 102 20.419 13.633 0.552 799 H41 PNS 102 H41 PNS 102 21.132 15.704 -0.496 800 H422 PNS 102 H422 PNS 102 21.716 17.906 -0.231 801 H421 PNS 102 H421 PNS 102 22.149 17.543 1.439 802 H431 PNS 102 H431 PNS 102 23.918 17.053 -0.978 803 H432 PNS 102 H432 PNS 102 24.352 16.741 0.709 804 H44 PNS 102 H44 PNS 102 25.123 19.328 -0.879 Start of MODEL 12 1 H1 MET 1 HT1 MET 1 -17.997 0.265 2.686 2 H2 MET 1 HT2 MET 1 -16.969 -0.664 3.655 3 H3 MET 1 HT3 MET 1 -18.059 -1.423 2.608 4 HA MET 1 HA MET 1 -15.826 -1.508 1.740 5 HB2 MET 1 HB2 MET 1 -17.837 -1.342 0.209 6 HB3 MET 1 HB1 MET 1 -17.579 0.396 0.113 7 HG2 MET 1 HG2 MET 1 -15.559 -1.685 -0.791 8 HG3 MET 1 HG1 MET 1 -16.723 -0.897 -1.853 9 HE1 MET 1 HE1 MET 1 -14.508 -0.236 -3.416 10 HE2 MET 1 HE2 MET 1 -13.491 -1.020 -2.205 11 HE3 MET 1 HE3 MET 1 -13.125 0.622 -2.737 12 H THR 2 HN THR 2 -13.989 -0.589 2.415 13 HA THR 2 HA THR 2 -13.607 2.330 2.333 14 HB THR 2 HB THR 2 -11.720 0.165 3.389 15 HG1 THR 2 HG1 THR 2 -13.997 1.092 4.461 16 HG21 THR 2 HG21 THR 2 -11.722 3.168 3.861 17 HG22 THR 2 HG22 THR 2 -10.570 2.288 2.854 18 HG23 THR 2 HG23 THR 2 -10.618 2.003 4.596 19 H SER 3 HN SER 3 -12.511 3.225 0.653 20 HA SER 3 HA SER 3 -11.257 1.502 -1.378 21 HB2 SER 3 HB2 SER 3 -11.870 4.490 -1.478 22 HB3 SER 3 HB1 SER 3 -11.376 3.469 -2.834 23 HG SER 3 HG SER 3 -13.556 2.462 -1.540 24 H THR 4 HN THR 4 -9.120 1.790 -2.050 25 HA THR 4 HA THR 4 -7.296 2.259 0.058 26 HB THR 4 HB THR 4 -6.648 1.877 -2.896 27 HG1 THR 4 HG1 THR 4 -7.805 0.228 -1.121 28 HG21 THR 4 HG21 THR 4 -4.688 2.629 -1.573 29 HG22 THR 4 HG22 THR 4 -4.513 0.945 -2.067 30 HG23 THR 4 HG23 THR 4 -4.969 1.334 -0.408 31 H PHE 5 HN PHE 5 -7.705 4.064 -3.067 32 HA PHE 5 HA PHE 5 -5.735 6.009 -2.492 33 HB2 PHE 5 HB2 PHE 5 -6.426 5.665 -4.805 34 HB3 PHE 5 HB1 PHE 5 -8.076 6.163 -4.440 35 HD1 PHE 5 HD1 PHE 5 -4.543 7.447 -4.390 36 HD2 PHE 5 HD2 PHE 5 -8.687 8.462 -4.718 37 HE1 PHE 5 HE1 PHE 5 -3.948 9.792 -4.805 38 HE2 PHE 5 HE2 PHE 5 -8.074 10.808 -5.149 39 HZ PHE 5 HZ PHE 5 -5.704 11.469 -5.187 40 H ASP 6 HN ASP 6 -9.219 5.932 -1.802 41 HA ASP 6 HA ASP 6 -9.591 8.608 -0.997 42 HB2 ASP 6 HB2 ASP 6 -11.018 6.045 -0.184 43 HB3 ASP 6 HB1 ASP 6 -11.473 7.599 0.516 44 H ARG 7 HN ARG 7 -8.606 5.758 0.859 45 HA ARG 7 HA ARG 7 -8.241 7.003 3.386 46 HB2 ARG 7 HB2 ARG 7 -7.401 4.388 2.167 47 HB3 ARG 7 HB1 ARG 7 -6.465 4.918 3.556 48 HG2 ARG 7 HG2 ARG 7 -9.474 4.559 3.543 49 HG3 ARG 7 HG1 ARG 7 -8.312 3.367 4.139 50 HD2 ARG 7 HD2 ARG 7 -7.485 5.165 5.751 51 HD3 ARG 7 HD1 ARG 7 -8.891 6.126 5.265 52 HE ARG 7 HE ARG 7 -9.725 3.538 6.060 53 HH11 ARG 7 HH11 ARG 7 -8.565 6.531 7.470 54 HH12 ARG 7 HH12 ARG 7 -9.232 6.189 9.032 55 HH21 ARG 7 HH21 ARG 7 -10.583 3.097 8.115 56 HH22 ARG 7 HH22 ARG 7 -10.381 4.248 9.397 57 H VAL 8 HN VAL 8 -5.950 6.298 0.751 58 HA VAL 8 HA VAL 8 -3.578 7.191 1.947 59 HB VAL 8 HB VAL 8 -4.352 7.122 -1.008 60 HG11 VAL 8 HG11 VAL 8 -1.572 7.486 0.177 61 HG12 VAL 8 HG12 VAL 8 -2.476 8.693 -0.739 62 HG13 VAL 8 HG13 VAL 8 -1.923 7.218 -1.533 63 HG21 VAL 8 HG21 VAL 8 -2.725 5.167 0.664 64 HG22 VAL 8 HG22 VAL 8 -3.046 5.017 -1.064 65 HG23 VAL 8 HG23 VAL 8 -4.376 4.913 0.089 66 H ALA 9 HN ALA 9 -5.856 8.931 -0.127 67 HA ALA 9 HA ALA 9 -4.610 11.424 -0.229 68 HB1 ALA 9 HB1 ALA 9 -6.791 12.258 -1.007 69 HB2 ALA 9 HB2 ALA 9 -7.560 10.759 -0.480 70 HB3 ALA 9 HB3 ALA 9 -6.373 10.727 -1.785 71 H THR 10 HN THR 10 -7.066 10.138 2.013 72 HA THR 10 HA THR 10 -7.404 12.384 3.664 73 HB THR 10 HB THR 10 -7.561 9.429 4.414 74 HG1 THR 10 HG1 THR 10 -8.976 10.457 2.691 75 HG21 THR 10 HG21 THR 10 -7.425 10.829 6.449 76 HG22 THR 10 HG22 THR 10 -9.037 10.142 6.263 77 HG23 THR 10 HG23 THR 10 -8.756 11.833 5.848 78 H ILE 11 HN ILE 11 -5.051 9.714 3.848 79 HA ILE 11 HA ILE 11 -3.730 10.416 6.216 80 HB ILE 11 HB ILE 11 -2.799 8.814 3.799 81 HG12 ILE 11 HG12 ILE 11 -3.659 7.867 6.575 82 HG13 ILE 11 HG11 ILE 11 -4.733 7.920 5.186 83 HG21 ILE 11 HG21 ILE 11 -0.953 7.928 5.185 84 HG22 ILE 11 HG22 ILE 11 -1.380 9.055 6.475 85 HG23 ILE 11 HG23 ILE 11 -0.791 9.666 4.929 86 HD11 ILE 11 HD11 ILE 11 -2.274 6.212 5.484 87 HD12 ILE 11 HD12 ILE 11 -3.308 6.271 4.052 88 HD13 ILE 11 HD13 ILE 11 -3.952 5.683 5.585 89 H ILE 12 HN ILE 12 -3.163 11.451 2.855 90 HA ILE 12 HA ILE 12 -0.672 12.774 3.322 91 HB ILE 12 HB ILE 12 -2.718 13.049 1.074 92 HG12 ILE 12 HG12 ILE 12 -0.065 11.533 1.073 93 HG13 ILE 12 HG11 ILE 12 -1.621 10.774 1.390 94 HG21 ILE 12 HG21 ILE 12 0.137 14.102 1.133 95 HG22 ILE 12 HG22 ILE 12 -1.333 15.075 1.121 96 HG23 ILE 12 HG23 ILE 12 -0.918 14.094 -0.282 97 HD11 ILE 12 HD11 ILE 12 -0.818 12.148 -1.165 98 HD12 ILE 12 HD12 ILE 12 -2.372 11.371 -0.849 99 HD13 ILE 12 HD13 ILE 12 -0.895 10.412 -0.882 100 H ALA 13 HN ALA 13 -4.050 13.836 3.024 101 HA ALA 13 HA ALA 13 -3.860 16.537 3.593 102 HB1 ALA 13 HB1 ALA 13 -5.948 15.438 2.878 103 HB2 ALA 13 HB2 ALA 13 -6.218 16.373 4.351 104 HB3 ALA 13 HB3 ALA 13 -6.066 14.616 4.435 105 H GLU 14 HN GLU 14 -4.054 13.804 5.906 106 HA GLU 14 HA GLU 14 -4.061 15.362 8.274 107 HB2 GLU 14 HB2 GLU 14 -3.362 12.445 7.758 108 HB3 GLU 14 HB1 GLU 14 -3.427 13.145 9.373 109 HG2 GLU 14 HG2 GLU 14 -5.748 12.950 7.424 110 HG3 GLU 14 HG1 GLU 14 -5.480 11.909 8.819 111 H THR 15 HN THR 15 -1.420 13.797 6.450 112 HA THR 15 HA THR 15 0.539 14.031 8.511 113 HB THR 15 HB THR 15 0.906 13.453 5.532 114 HG1 THR 15 HG1 THR 15 0.112 11.586 6.084 115 HG21 THR 15 HG21 THR 15 3.091 12.467 6.158 116 HG22 THR 15 HG22 THR 15 2.862 12.999 7.822 117 HG23 THR 15 HG23 THR 15 3.047 14.193 6.533 118 H CYS 16 HN CYS 16 0.026 15.806 5.419 119 HA CYS 16 HA CYS 16 2.284 17.583 6.100 120 HB2 CYS 16 HB2 CYS 16 2.696 16.198 4.135 121 HB3 CYS 16 HB1 CYS 16 1.165 16.688 3.415 122 HG CYS 16 HG CYS 16 2.912 19.376 4.059 123 H ASP 17 HN ASP 17 -1.029 17.641 6.202 124 HA ASP 17 HA ASP 17 -2.749 18.996 5.686 125 HB2 ASP 17 HB2 ASP 17 -1.577 20.387 7.394 126 HB3 ASP 17 HB1 ASP 17 -0.674 21.195 6.117 127 H ILE 18 HN ILE 18 -2.363 17.922 3.525 128 HA ILE 18 HA ILE 18 -1.979 19.918 1.373 129 HB ILE 18 HB ILE 18 -1.965 16.866 1.211 130 HG12 ILE 18 HG12 ILE 18 0.120 17.780 2.190 131 HG13 ILE 18 HG11 ILE 18 0.428 17.094 0.601 132 HG21 ILE 18 HG21 ILE 18 -1.369 17.129 -1.180 133 HG22 ILE 18 HG22 ILE 18 -1.580 18.876 -1.042 134 HG23 ILE 18 HG23 ILE 18 -2.961 17.802 -0.828 135 HD11 ILE 18 HD11 ILE 18 0.430 19.382 -0.350 136 HD12 ILE 18 HD12 ILE 18 1.672 19.129 0.874 137 HD13 ILE 18 HD13 ILE 18 0.211 20.030 1.280 138 HA PRO 19 HA PRO 19 -6.505 20.048 1.136 139 HB2 PRO 19 HB2 PRO 19 -5.947 20.991 -1.671 140 HB3 PRO 19 HB1 PRO 19 -6.969 21.722 -0.424 141 HG2 PRO 19 HG2 PRO 19 -4.581 22.769 -1.008 142 HG3 PRO 19 HG1 PRO 19 -5.154 22.702 0.674 143 HD2 PRO 19 HD2 PRO 19 -3.140 20.943 -0.718 144 HD3 PRO 19 HD1 PRO 19 -3.125 21.585 0.940 145 H ARG 20 HN ARG 20 -7.685 18.261 0.824 146 HA ARG 20 HA ARG 20 -7.188 15.983 -0.616 147 HB2 ARG 20 HB2 ARG 20 -8.942 16.237 1.126 148 HB3 ARG 20 HB1 ARG 20 -9.899 17.211 0.027 149 HG2 ARG 20 HG2 ARG 20 -10.873 15.034 0.123 150 HG3 ARG 20 HG1 ARG 20 -10.150 15.231 -1.470 151 HD2 ARG 20 HD2 ARG 20 -8.532 13.605 -1.091 152 HD3 ARG 20 HD1 ARG 20 -8.497 13.895 0.648 153 HE ARG 20 HE ARG 20 -10.527 12.632 0.885 154 HH11 ARG 20 HH11 ARG 20 -9.070 12.269 -2.289 155 HH12 ARG 20 HH12 ARG 20 -9.886 10.777 -2.588 156 HH21 ARG 20 HH21 ARG 20 -11.594 10.718 0.441 157 HH22 ARG 20 HH22 ARG 20 -11.327 9.913 -1.071 158 H GLU 21 HN GLU 21 -8.624 18.966 -1.833 159 HA GLU 21 HA GLU 21 -9.712 18.047 -4.267 160 HB2 GLU 21 HB2 GLU 21 -9.695 20.469 -4.901 161 HB3 GLU 21 HB1 GLU 21 -10.372 20.183 -3.301 162 HG2 GLU 21 HG2 GLU 21 -8.271 20.891 -2.258 163 HG3 GLU 21 HG1 GLU 21 -7.542 21.135 -3.842 164 H THR 22 HN THR 22 -6.450 19.117 -3.389 165 HA THR 22 HA THR 22 -5.507 19.164 -6.160 166 HB THR 22 HB THR 22 -3.320 19.886 -5.144 167 HG1 THR 22 HG1 THR 22 -4.159 18.830 -2.963 168 HG21 THR 22 HG21 THR 22 -4.978 21.597 -5.811 169 HG22 THR 22 HG22 THR 22 -4.060 22.113 -4.397 170 HG23 THR 22 HG23 THR 22 -5.709 21.518 -4.203 171 H ILE 23 HN ILE 23 -5.996 16.741 -3.901 172 HA ILE 23 HA ILE 23 -3.584 15.190 -4.522 173 HB ILE 23 HB ILE 23 -5.969 14.501 -2.738 174 HG12 ILE 23 HG12 ILE 23 -3.183 15.470 -1.931 175 HG13 ILE 23 HG11 ILE 23 -4.637 16.458 -1.894 176 HG21 ILE 23 HG21 ILE 23 -3.276 13.117 -3.021 177 HG22 ILE 23 HG22 ILE 23 -4.835 12.485 -3.555 178 HG23 ILE 23 HG23 ILE 23 -4.518 12.705 -1.836 179 HD11 ILE 23 HD11 ILE 23 -4.029 15.677 0.313 180 HD12 ILE 23 HD12 ILE 23 -4.121 14.000 -0.221 181 HD13 ILE 23 HD13 ILE 23 -5.580 14.994 -0.171 182 H THR 24 HN THR 24 -3.844 14.683 -6.691 183 HA THR 24 HA THR 24 -6.219 13.126 -7.541 184 HB THR 24 HB THR 24 -5.417 13.463 -9.851 185 HG1 THR 24 HG1 THR 24 -3.519 14.842 -10.138 186 HG21 THR 24 HG21 THR 24 -6.791 15.286 -8.902 187 HG22 THR 24 HG22 THR 24 -5.596 15.921 -10.035 188 HG23 THR 24 HG23 THR 24 -5.331 16.079 -8.298 189 HA PRO 25 HA PRO 25 -3.875 9.257 -7.487 190 HB2 PRO 25 HB2 PRO 25 -4.996 8.630 -10.204 191 HB3 PRO 25 HB1 PRO 25 -5.094 7.699 -8.702 192 HG2 PRO 25 HG2 PRO 25 -7.232 9.019 -9.606 193 HG3 PRO 25 HG1 PRO 25 -6.869 8.983 -7.867 194 HD2 PRO 25 HD2 PRO 25 -6.343 11.187 -9.865 195 HD3 PRO 25 HD1 PRO 25 -7.002 11.294 -8.214 196 H GLU 26 HN GLU 26 -3.484 11.621 -9.964 197 HA GLU 26 HA GLU 26 -1.312 10.288 -11.379 198 HB2 GLU 26 HB2 GLU 26 -2.261 13.136 -11.868 199 HB3 GLU 26 HB1 GLU 26 -1.530 12.007 -13.008 200 HG2 GLU 26 HG2 GLU 26 -4.352 11.858 -11.884 201 HG3 GLU 26 HG1 GLU 26 -3.903 12.439 -13.487 202 H SER 27 HN SER 27 -1.536 11.920 -8.506 203 HA SER 27 HA SER 27 0.465 13.997 -8.839 204 HB2 SER 27 HB2 SER 27 -0.852 12.970 -6.282 205 HB3 SER 27 HB1 SER 27 0.126 14.432 -6.429 206 HG SER 27 HG SER 27 -2.258 13.953 -7.874 207 H HIS 28 HN HIS 28 2.586 13.841 -8.421 208 HA HIS 28 HA HIS 28 3.741 11.380 -7.304 209 HB2 HIS 28 HB2 HIS 28 4.686 12.566 -9.383 210 HB3 HIS 28 HB1 HIS 28 5.190 13.861 -8.318 211 HD2 HIS 28 HD2 HIS 28 6.261 10.314 -9.398 212 HE1 HIS 28 HE1 HIS 28 9.121 11.788 -6.661 213 HE2 HIS 28 HE2 HIS 28 8.671 10.127 -8.503 214 H ALA 29 HN ALA 29 3.982 11.322 -5.103 215 HA ALA 29 HA ALA 29 3.380 13.173 -3.246 216 HB1 ALA 29 HB1 ALA 29 4.616 11.807 -1.625 217 HB2 ALA 29 HB2 ALA 29 5.495 11.018 -2.940 218 HB3 ALA 29 HB3 ALA 29 3.754 10.786 -2.780 219 H ILE 30 HN ILE 30 6.484 12.986 -4.935 220 HA ILE 30 HA ILE 30 7.732 14.865 -3.022 221 HB ILE 30 HB ILE 30 9.061 13.229 -5.236 222 HG12 ILE 30 HG12 ILE 30 8.865 12.638 -2.240 223 HG13 ILE 30 HG11 ILE 30 8.152 11.691 -3.540 224 HG21 ILE 30 HG21 ILE 30 10.348 15.239 -4.628 225 HG22 ILE 30 HG22 ILE 30 11.182 13.776 -4.107 226 HG23 ILE 30 HG23 ILE 30 10.315 14.763 -2.925 227 HD11 ILE 30 HD11 ILE 30 11.100 12.038 -3.015 228 HD12 ILE 30 HD12 ILE 30 10.390 11.086 -4.322 229 HD13 ILE 30 HD13 ILE 30 10.122 10.621 -2.643 230 H ASP 31 HN ASP 31 6.900 14.361 -6.433 231 HA ASP 31 HA ASP 31 7.859 17.076 -7.146 232 HB2 ASP 31 HB2 ASP 31 8.961 15.043 -8.275 233 HB3 ASP 31 HB1 ASP 31 7.420 14.734 -9.066 234 H ASP 32 HN ASP 32 5.439 16.802 -5.892 235 HA ASP 32 HA ASP 32 3.825 18.398 -7.595 236 HB2 ASP 32 HB2 ASP 32 3.093 16.148 -8.452 237 HB3 ASP 32 HB1 ASP 32 2.606 15.695 -6.828 238 H LEU 33 HN LEU 33 3.278 16.138 -4.867 239 HA LEU 33 HA LEU 33 1.739 18.002 -3.354 240 HB2 LEU 33 HB2 LEU 33 3.011 15.385 -2.482 241 HB3 LEU 33 HB1 LEU 33 1.741 16.245 -1.619 242 HG LEU 33 HG LEU 33 1.436 14.983 -4.384 243 HD11 LEU 33 HD11 LEU 33 0.064 13.282 -3.288 244 HD12 LEU 33 HD12 LEU 33 0.383 14.005 -1.711 245 HD13 LEU 33 HD13 LEU 33 1.700 13.283 -2.636 246 HD21 LEU 33 HD21 LEU 33 -0.062 16.923 -4.102 247 HD22 LEU 33 HD22 LEU 33 -0.696 16.237 -2.604 248 HD23 LEU 33 HD23 LEU 33 -0.973 15.415 -4.142 249 H GLY 34 HN GLY 34 5.125 17.572 -3.671 250 HA2 GLY 34 HA2 GLY 34 6.935 18.596 -2.705 251 HA3 GLY 34 HA1 GLY 34 5.812 19.683 -1.903 252 H ILE 35 HN ILE 35 6.377 16.193 -1.710 253 HA ILE 35 HA ILE 35 6.728 16.342 1.234 254 HB ILE 35 HB ILE 35 5.158 14.269 -0.384 255 HG12 ILE 35 HG12 ILE 35 4.182 16.237 1.746 256 HG13 ILE 35 HG11 ILE 35 3.929 16.412 0.011 257 HG21 ILE 35 HG21 ILE 35 6.394 13.146 1.433 258 HG22 ILE 35 HG22 ILE 35 4.659 13.118 1.735 259 HG23 ILE 35 HG23 ILE 35 5.682 14.254 2.610 260 HD11 ILE 35 HD11 ILE 35 2.577 14.359 0.027 261 HD12 ILE 35 HD12 ILE 35 1.942 15.612 1.092 262 HD13 ILE 35 HD13 ILE 35 2.812 14.242 1.775 263 H ASP 36 HN ASP 36 8.722 15.594 1.769 264 HA ASP 36 HA ASP 36 10.393 14.067 -0.045 265 HB2 ASP 36 HB2 ASP 36 10.805 15.023 2.832 266 HB3 ASP 36 HB1 ASP 36 12.007 14.073 1.958 267 H SER 37 HN SER 37 11.528 12.072 0.833 268 HA SER 37 HA SER 37 9.761 9.988 1.442 269 HB2 SER 37 HB2 SER 37 12.739 9.899 2.064 270 HB3 SER 37 HB1 SER 37 11.679 8.558 1.618 271 H LEU 38 HN LEU 38 11.462 12.182 3.509 272 HA LEU 38 HA LEU 38 11.457 10.837 5.983 273 HB2 LEU 38 HB2 LEU 38 11.306 13.825 5.387 274 HB3 LEU 38 HB1 LEU 38 11.591 13.163 6.983 275 HG LEU 38 HG LEU 38 13.703 13.898 6.181 276 HD11 LEU 38 HD11 LEU 38 15.067 11.879 6.094 277 HD12 LEU 38 HD12 LEU 38 13.632 10.900 5.783 278 HD13 LEU 38 HD13 LEU 38 13.806 11.752 7.318 279 HD21 LEU 38 HD21 LEU 38 14.702 13.312 4.045 280 HD22 LEU 38 HD22 LEU 38 13.158 14.123 3.803 281 HD23 LEU 38 HD23 LEU 38 13.276 12.373 3.601 282 H ASP 39 HN ASP 39 9.146 13.145 4.577 283 HA ASP 39 HA ASP 39 7.161 12.834 6.667 284 HB2 ASP 39 HB2 ASP 39 6.847 14.180 3.955 285 HB3 ASP 39 HB1 ASP 39 5.844 14.436 5.381 286 H PHE 40 HN PHE 40 7.922 11.320 3.657 287 HA PHE 40 HA PHE 40 5.298 10.246 3.091 288 HB2 PHE 40 HB2 PHE 40 7.032 10.819 1.317 289 HB3 PHE 40 HB1 PHE 40 7.967 9.433 1.859 290 HD1 PHE 40 HD1 PHE 40 4.400 10.159 0.886 291 HD2 PHE 40 HD2 PHE 40 7.741 7.527 0.497 292 HE1 PHE 40 HE1 PHE 40 3.119 8.759 -0.669 293 HE2 PHE 40 HE2 PHE 40 6.452 6.127 -1.061 294 HZ PHE 40 HZ PHE 40 4.137 6.743 -1.649 295 H LEU 41 HN LEU 41 8.128 9.302 4.927 296 HA LEU 41 HA LEU 41 7.525 6.561 5.366 297 HB2 LEU 41 HB2 LEU 41 8.936 8.576 7.164 298 HB3 LEU 41 HB1 LEU 41 8.768 6.879 7.583 299 HG LEU 41 HG LEU 41 10.373 8.025 5.275 300 HD11 LEU 41 HD11 LEU 41 12.318 7.102 6.449 301 HD12 LEU 41 HD12 LEU 41 11.275 6.545 7.761 302 HD13 LEU 41 HD13 LEU 41 11.459 8.273 7.449 303 HD21 LEU 41 HD21 LEU 41 11.062 5.702 4.779 304 HD22 LEU 41 HD22 LEU 41 9.344 5.966 4.499 305 HD23 LEU 41 HD23 LEU 41 9.880 5.108 5.949 306 H ASP 42 HN ASP 42 6.514 9.574 6.948 307 HA ASP 42 HA ASP 42 4.960 8.406 9.020 308 HB2 ASP 42 HB2 ASP 42 5.855 10.770 9.050 309 HB3 ASP 42 HB1 ASP 42 4.635 11.206 7.859 310 H ILE 43 HN ILE 43 4.146 9.677 5.788 311 HA ILE 43 HA ILE 43 1.399 9.129 5.732 312 HB ILE 43 HB ILE 43 3.440 9.007 3.462 313 HG12 ILE 43 HG12 ILE 43 1.463 11.183 4.312 314 HG13 ILE 43 HG11 ILE 43 3.214 11.240 4.484 315 HG21 ILE 43 HG21 ILE 43 0.402 8.980 3.193 316 HG22 ILE 43 HG22 ILE 43 1.494 7.651 2.798 317 HG23 ILE 43 HG23 ILE 43 1.551 9.139 1.860 318 HD11 ILE 43 HD11 ILE 43 2.491 12.624 2.656 319 HD12 ILE 43 HD12 ILE 43 1.666 11.266 1.897 320 HD13 ILE 43 HD13 ILE 43 3.428 11.268 2.030 321 H ALA 44 HN ALA 44 4.200 6.977 5.222 322 HA ALA 44 HA ALA 44 2.670 4.725 4.322 323 HB1 ALA 44 HB1 ALA 44 4.812 3.538 4.409 324 HB2 ALA 44 HB2 ALA 44 5.549 4.892 5.269 325 HB3 ALA 44 HB3 ALA 44 5.000 5.096 3.604 326 H PHE 45 HN PHE 45 3.945 5.858 7.450 327 HA PHE 45 HA PHE 45 3.613 3.524 9.004 328 HB2 PHE 45 HB2 PHE 45 3.665 6.475 9.721 329 HB3 PHE 45 HB1 PHE 45 3.221 5.305 10.956 330 HD1 PHE 45 HD1 PHE 45 4.929 3.199 11.047 331 HD2 PHE 45 HD2 PHE 45 5.929 7.138 9.730 332 HE1 PHE 45 HE1 PHE 45 7.300 2.787 11.577 333 HE2 PHE 45 HE2 PHE 45 8.292 6.718 10.252 334 HZ PHE 45 HZ PHE 45 8.982 4.540 11.177 335 H ALA 46 HN ALA 46 1.453 6.171 8.216 336 HA ALA 46 HA ALA 46 -0.811 5.355 9.730 337 HB1 ALA 46 HB1 ALA 46 -0.622 7.170 7.310 338 HB2 ALA 46 HB2 ALA 46 -0.492 7.667 8.996 339 HB3 ALA 46 HB3 ALA 46 -2.018 7.036 8.382 340 H ILE 47 HN ILE 47 0.245 4.765 6.397 341 HA ILE 47 HA ILE 47 -2.046 3.430 5.417 342 HB ILE 47 HB ILE 47 0.881 3.335 4.593 343 HG12 ILE 47 HG12 ILE 47 -1.541 4.535 3.168 344 HG13 ILE 47 HG11 ILE 47 -0.430 5.451 4.176 345 HG21 ILE 47 HG21 ILE 47 -1.402 1.921 3.180 346 HG22 ILE 47 HG22 ILE 47 -0.019 1.158 3.967 347 HG23 ILE 47 HG23 ILE 47 0.222 2.139 2.523 348 HD11 ILE 47 HD11 ILE 47 1.388 4.969 2.607 349 HD12 ILE 47 HD12 ILE 47 0.032 5.778 1.824 350 HD13 ILE 47 HD13 ILE 47 0.268 4.047 1.598 351 H ASP 48 HN ASP 48 0.929 2.178 6.888 352 HA ASP 48 HA ASP 48 0.471 -0.577 6.622 353 HB2 ASP 48 HB2 ASP 48 2.016 0.807 8.847 354 HB3 ASP 48 HB1 ASP 48 2.147 -0.896 8.414 355 H LYS 49 HN LYS 49 -0.382 1.677 9.171 356 HA LYS 49 HA LYS 49 -1.480 -0.232 10.992 357 HB2 LYS 49 HB2 LYS 49 -1.719 2.790 10.802 358 HB3 LYS 49 HB1 LYS 49 -2.349 1.849 12.153 359 HG2 LYS 49 HG2 LYS 49 -0.126 1.159 12.807 360 HG3 LYS 49 HG1 LYS 49 0.573 1.828 11.330 361 HD2 LYS 49 HD2 LYS 49 1.033 3.291 13.244 362 HD3 LYS 49 HD1 LYS 49 -0.000 4.102 12.069 363 HE2 LYS 49 HE2 LYS 49 -1.978 3.571 13.482 364 HE3 LYS 49 HE1 LYS 49 -0.901 2.835 14.672 365 HZ1 LYS 49 HZ1 LYS 49 -0.734 5.656 13.787 366 HZ2 LYS 49 HZ2 LYS 49 0.121 4.931 15.054 367 HZ3 LYS 49 HZ3 LYS 49 -1.550 5.139 15.173 368 H ALA 50 HN ALA 50 -2.975 2.156 8.748 369 HA ALA 50 HA ALA 50 -5.657 1.609 9.331 370 HB1 ALA 50 HB1 ALA 50 -4.919 3.647 8.157 371 HB2 ALA 50 HB2 ALA 50 -6.199 2.825 7.261 372 HB3 ALA 50 HB3 ALA 50 -4.520 2.684 6.732 373 H PHE 51 HN PHE 51 -3.669 0.390 6.685 374 HA PHE 51 HA PHE 51 -5.721 -1.403 5.690 375 HB2 PHE 51 HB2 PHE 51 -2.894 -0.845 4.720 376 HB3 PHE 51 HB1 PHE 51 -4.040 -1.905 3.902 377 HD1 PHE 51 HD1 PHE 51 -6.008 -0.974 2.747 378 HD2 PHE 51 HD2 PHE 51 -3.170 1.601 4.621 379 HE1 PHE 51 HE1 PHE 51 -6.886 0.923 1.465 380 HE2 PHE 51 HE2 PHE 51 -4.039 3.500 3.313 381 HZ PHE 51 HZ PHE 51 -5.898 3.153 1.736 382 H GLY 52 HN GLY 52 -3.366 -1.658 8.082 383 HA2 GLY 52 HA2 GLY 52 -2.719 -3.421 9.405 384 HA3 GLY 52 HA1 GLY 52 -3.959 -4.378 8.613 385 H ILE 53 HN ILE 53 -1.146 -2.838 7.164 386 HA ILE 53 HA ILE 53 0.113 -5.445 6.528 387 HB ILE 53 HB ILE 53 0.729 -4.512 4.274 388 HG12 ILE 53 HG12 ILE 53 -1.283 -2.282 4.886 389 HG13 ILE 53 HG11 ILE 53 0.463 -2.063 4.885 390 HG21 ILE 53 HG21 ILE 53 -1.182 -6.051 4.456 391 HG22 ILE 53 HG22 ILE 53 -1.462 -4.866 3.181 392 HG23 ILE 53 HG23 ILE 53 -2.274 -4.692 4.740 393 HD11 ILE 53 HD11 ILE 53 0.501 -2.622 2.493 394 HD12 ILE 53 HD12 ILE 53 -0.521 -1.228 2.847 395 HD13 ILE 53 HD13 ILE 53 -1.256 -2.798 2.521 396 H LYS 54 HN LYS 54 2.456 -4.638 5.391 397 HA LYS 54 HA LYS 54 3.322 -2.055 6.473 398 HB2 LYS 54 HB2 LYS 54 4.248 -3.971 7.955 399 HB3 LYS 54 HB1 LYS 54 5.229 -4.434 6.567 400 HG2 LYS 54 HG2 LYS 54 6.055 -1.953 6.605 401 HG3 LYS 54 HG1 LYS 54 5.346 -1.891 8.215 402 HD2 LYS 54 HD2 LYS 54 7.656 -2.381 8.540 403 HD3 LYS 54 HD1 LYS 54 6.804 -3.904 8.815 404 HE2 LYS 54 HE2 LYS 54 8.817 -4.281 7.475 405 HE3 LYS 54 HE1 LYS 54 7.384 -4.620 6.501 406 HZ1 LYS 54 HZ1 LYS 54 8.979 -2.106 6.427 407 HZ2 LYS 54 HZ2 LYS 54 7.617 -2.435 5.482 408 HZ3 LYS 54 HZ3 LYS 54 9.024 -3.342 5.276 409 H LEU 55 HN LEU 55 4.085 -0.855 4.826 410 HA LEU 55 HA LEU 55 4.596 -1.930 2.222 411 HB2 LEU 55 HB2 LEU 55 5.215 0.841 3.324 412 HB3 LEU 55 HB1 LEU 55 5.230 0.386 1.630 413 HG LEU 55 HG LEU 55 2.775 0.555 3.422 414 HD11 LEU 55 HD11 LEU 55 2.114 2.442 1.998 415 HD12 LEU 55 HD12 LEU 55 3.616 2.295 1.081 416 HD13 LEU 55 HD13 LEU 55 3.660 2.750 2.786 417 HD21 LEU 55 HD21 LEU 55 2.904 -0.186 0.474 418 HD22 LEU 55 HD22 LEU 55 1.429 0.087 1.408 419 HD23 LEU 55 HD23 LEU 55 2.482 -1.265 1.803 420 HA PRO 56 HA PRO 56 9.210 -2.407 2.783 421 HB2 PRO 56 HB2 PRO 56 8.956 -2.899 -0.175 422 HB3 PRO 56 HB1 PRO 56 9.796 -3.854 1.053 423 HG2 PRO 56 HG2 PRO 56 7.485 -4.701 -0.014 424 HG3 PRO 56 HG1 PRO 56 7.859 -4.977 1.697 425 HD2 PRO 56 HD2 PRO 56 6.044 -2.916 0.469 426 HD3 PRO 56 HD1 PRO 56 5.815 -3.887 1.936 427 H LEU 57 HN LEU 57 8.443 0.121 3.010 428 HA LEU 57 HA LEU 57 8.288 1.735 0.676 429 HB2 LEU 57 HB2 LEU 57 7.315 2.077 3.107 430 HB3 LEU 57 HB1 LEU 57 8.866 2.797 3.468 431 HG LEU 57 HG LEU 57 7.084 4.469 3.002 432 HD11 LEU 57 HD11 LEU 57 9.398 5.135 2.604 433 HD12 LEU 57 HD12 LEU 57 8.290 5.944 1.499 434 HD13 LEU 57 HD13 LEU 57 9.280 4.596 0.929 435 HD21 LEU 57 HD21 LEU 57 7.052 3.366 0.179 436 HD22 LEU 57 HD22 LEU 57 6.162 4.774 0.768 437 HD23 LEU 57 HD23 LEU 57 5.777 3.172 1.385 438 H GLU 58 HN GLU 58 10.811 1.141 3.097 439 HA GLU 58 HA GLU 58 12.783 2.956 2.220 440 HB2 GLU 58 HB2 GLU 58 13.170 0.257 3.598 441 HB3 GLU 58 HB1 GLU 58 14.375 1.543 3.500 442 HG2 GLU 58 HG2 GLU 58 13.007 3.001 4.879 443 HG3 GLU 58 HG1 GLU 58 11.694 1.822 4.889 444 H LYS 59 HN LYS 59 12.194 -0.451 1.458 445 HA LYS 59 HA LYS 59 14.337 -1.039 -0.246 446 HB2 LYS 59 HB2 LYS 59 12.879 -2.834 0.521 447 HB3 LYS 59 HB1 LYS 59 11.478 -2.096 -0.249 448 HG2 LYS 59 HG2 LYS 59 12.596 -2.516 -2.487 449 HG3 LYS 59 HG1 LYS 59 13.843 -3.422 -1.624 450 HD2 LYS 59 HD2 LYS 59 12.171 -5.036 -0.849 451 HD3 LYS 59 HD1 LYS 59 10.876 -4.090 -1.594 452 HE2 LYS 59 HE2 LYS 59 11.844 -4.511 -3.823 453 HE3 LYS 59 HE1 LYS 59 13.154 -5.440 -3.088 454 HZ1 LYS 59 HZ1 LYS 59 11.446 -6.875 -3.949 455 HZ2 LYS 59 HZ2 LYS 59 10.269 -6.115 -3.000 456 HZ3 LYS 59 HZ3 LYS 59 11.505 -7.003 -2.265 457 H TRP 60 HN TRP 60 11.132 0.247 -0.952 458 HA TRP 60 HA TRP 60 11.292 0.359 -3.763 459 HB2 TRP 60 HB2 TRP 60 9.551 1.894 -1.788 460 HB3 TRP 60 HB1 TRP 60 9.302 1.898 -3.533 461 HD1 TRP 60 HD1 TRP 60 10.038 -1.479 -3.503 462 HE1 TRP 60 HE1 TRP 60 8.037 -2.993 -2.970 463 HE3 TRP 60 HE3 TRP 60 6.975 1.965 -1.298 464 HZ2 TRP 60 HZ2 TRP 60 5.510 -2.769 -1.810 465 HZ3 TRP 60 HZ3 TRP 60 4.770 1.227 -0.504 466 HH2 TRP 60 HH2 TRP 60 4.055 -1.093 -0.766 467 H THR 61 HN THR 61 11.854 2.814 -1.260 468 HA THR 61 HA THR 61 12.442 5.014 -2.928 469 HB THR 61 HB THR 61 13.390 4.484 -0.072 470 HG1 THR 61 HG1 THR 61 11.084 5.900 -0.978 471 HG21 THR 61 HG21 THR 61 13.482 6.961 0.131 472 HG22 THR 61 HG22 THR 61 13.104 7.109 -1.585 473 HG23 THR 61 HG23 THR 61 14.622 6.367 -1.078 474 H GLN 62 HN GLN 62 14.404 2.291 -1.823 475 HA GLN 62 HA GLN 62 16.959 3.452 -2.495 476 HB2 GLN 62 HB2 GLN 62 16.135 0.618 -1.745 477 HB3 GLN 62 HB1 GLN 62 17.800 1.097 -2.076 478 HG2 GLN 62 HG2 GLN 62 17.759 2.648 -0.207 479 HG3 GLN 62 HG1 GLN 62 16.070 2.265 0.114 480 HE21 GLN 62 HE21 GLN 62 18.364 1.993 1.888 481 HE22 GLN 62 HE22 GLN 62 18.418 0.335 2.361 482 H GLU 63 HN GLU 63 14.700 1.126 -3.952 483 HA GLU 63 HA GLU 63 16.212 0.405 -6.221 484 HB2 GLU 63 HB2 GLU 63 13.191 0.517 -5.842 485 HB3 GLU 63 HB1 GLU 63 13.974 -0.217 -7.244 486 HG2 GLU 63 HG2 GLU 63 15.063 -1.858 -5.791 487 HG3 GLU 63 HG1 GLU 63 14.346 -1.116 -4.368 488 H VAL 64 HN VAL 64 13.925 3.027 -5.661 489 HA VAL 64 HA VAL 64 13.902 4.277 -8.158 490 HB VAL 64 HB VAL 64 13.641 5.433 -5.347 491 HG11 VAL 64 HG11 VAL 64 13.135 6.873 -7.976 492 HG12 VAL 64 HG12 VAL 64 14.377 7.264 -6.785 493 HG13 VAL 64 HG13 VAL 64 12.676 7.477 -6.384 494 HG21 VAL 64 HG21 VAL 64 11.229 5.528 -5.871 495 HG22 VAL 64 HG22 VAL 64 11.849 3.884 -6.018 496 HG23 VAL 64 HG23 VAL 64 11.539 4.839 -7.467 497 H ASN 65 HN ASN 65 15.916 5.107 -5.326 498 HA ASN 65 HA ASN 65 17.519 7.029 -6.643 499 HB2 ASN 65 HB2 ASN 65 17.729 5.610 -3.964 500 HB3 ASN 65 HB1 ASN 65 18.951 6.768 -4.479 501 HD21 ASN 65 HD21 ASN 65 16.629 6.686 -2.381 502 HD22 ASN 65 HD22 ASN 65 15.924 8.254 -2.544 503 H ASP 66 HN ASP 66 17.822 3.563 -6.490 504 HA ASP 66 HA ASP 66 20.655 3.526 -7.158 505 HB2 ASP 66 HB2 ASP 66 19.564 1.844 -5.605 506 HB3 ASP 66 HB1 ASP 66 18.671 1.212 -6.976 507 H GLY 67 HN GLY 67 17.862 4.064 -8.923 508 HA2 GLY 67 HA2 GLY 67 17.441 4.115 -11.178 509 HA3 GLY 67 HA1 GLY 67 19.044 3.468 -11.469 510 H LYS 68 HN LYS 68 17.384 1.411 -9.359 511 HA LYS 68 HA LYS 68 16.950 -0.665 -11.278 512 HB2 LYS 68 HB2 LYS 68 15.997 -0.343 -8.400 513 HB3 LYS 68 HB1 LYS 68 15.687 -1.787 -9.359 514 HG2 LYS 68 HG2 LYS 68 18.427 -0.728 -8.603 515 HG3 LYS 68 HG1 LYS 68 17.592 -2.088 -7.841 516 HD2 LYS 68 HD2 LYS 68 17.620 -3.290 -10.029 517 HD3 LYS 68 HD1 LYS 68 18.516 -1.944 -10.739 518 HE2 LYS 68 HE2 LYS 68 20.365 -2.368 -9.126 519 HE3 LYS 68 HE1 LYS 68 19.469 -3.748 -8.489 520 HZ1 LYS 68 HZ1 LYS 68 20.461 -3.440 -11.263 521 HZ2 LYS 68 HZ2 LYS 68 19.555 -4.746 -10.692 522 HZ3 LYS 68 HZ3 LYS 68 21.102 -4.460 -10.077 523 H ALA 69 HN ALA 69 14.942 1.830 -9.886 524 HA ALA 69 HA ALA 69 12.744 1.280 -11.765 525 HB1 ALA 69 HB1 ALA 69 11.070 1.497 -9.962 526 HB2 ALA 69 HB2 ALA 69 12.360 1.604 -8.760 527 HB3 ALA 69 HB3 ALA 69 12.125 0.113 -9.677 528 H THR 70 HN THR 70 11.251 3.140 -11.891 529 HA THR 70 HA THR 70 12.648 5.668 -11.866 530 HB THR 70 HB THR 70 10.527 6.557 -12.861 531 HG1 THR 70 HG1 THR 70 9.327 4.138 -13.270 532 HG21 THR 70 HG21 THR 70 10.597 5.295 -14.971 533 HG22 THR 70 HG22 THR 70 11.471 3.983 -14.179 534 HG23 THR 70 HG23 THR 70 12.229 5.568 -14.367 535 H THR 71 HN THR 71 11.753 7.610 -10.863 536 HA THR 71 HA THR 71 11.011 7.435 -8.153 537 HB THR 71 HB THR 71 10.499 9.889 -8.376 538 HG1 THR 71 HG1 THR 71 11.349 9.952 -11.026 539 HG21 THR 71 HG21 THR 71 12.738 10.663 -9.102 540 HG22 THR 71 HG22 THR 71 13.065 9.074 -9.801 541 HG23 THR 71 HG23 THR 71 12.864 9.250 -8.057 542 H GLU 72 HN GLU 72 9.114 8.366 -11.019 543 HA GLU 72 HA GLU 72 6.561 8.457 -10.444 544 HB2 GLU 72 HB2 GLU 72 7.523 6.495 -12.572 545 HB3 GLU 72 HB1 GLU 72 6.015 7.407 -12.576 546 HG2 GLU 72 HG2 GLU 72 7.251 9.491 -12.918 547 HG3 GLU 72 HG1 GLU 72 8.785 8.627 -12.816 548 H GLN 73 HN GLN 73 8.096 5.297 -10.912 549 HA GLN 73 HA GLN 73 5.849 3.684 -10.581 550 HB2 GLN 73 HB2 GLN 73 7.934 2.859 -11.594 551 HB3 GLN 73 HB1 GLN 73 8.751 2.935 -10.035 552 HG2 GLN 73 HG2 GLN 73 7.322 1.166 -9.155 553 HG3 GLN 73 HG1 GLN 73 6.369 1.146 -10.635 554 HE21 GLN 73 HE21 GLN 73 7.242 0.199 -12.485 555 HE22 GLN 73 HE22 GLN 73 8.598 -0.869 -12.420 556 H TYR 74 HN TYR 74 7.970 4.993 -8.090 557 HA TYR 74 HA TYR 74 6.453 3.490 -6.035 558 HB2 TYR 74 HB2 TYR 74 9.385 4.214 -6.081 559 HB3 TYR 74 HB1 TYR 74 8.561 3.670 -4.625 560 HD1 TYR 74 HD2 TYR 74 6.815 1.468 -5.658 561 HD2 TYR 74 HD1 TYR 74 10.875 2.441 -6.614 562 HE1 TYR 74 HE2 TYR 74 7.266 -0.878 -6.200 563 HE2 TYR 74 HE1 TYR 74 11.309 0.088 -7.135 564 HH TYR 74 HH TYR 74 10.371 -2.121 -6.479 565 H PHE 75 HN PHE 75 6.651 6.629 -7.141 566 HA PHE 75 HA PHE 75 5.838 7.574 -4.452 567 HB2 PHE 75 HB2 PHE 75 7.598 9.079 -6.421 568 HB3 PHE 75 HB1 PHE 75 6.890 9.799 -4.981 569 HD1 PHE 75 HD2 PHE 75 7.378 8.243 -2.750 570 HD2 PHE 75 HD1 PHE 75 9.873 8.537 -6.217 571 HE1 PHE 75 HE2 PHE 75 9.333 7.586 -1.409 572 HE2 PHE 75 HE1 PHE 75 11.818 7.891 -4.858 573 HZ PHE 75 HZ PHE 75 11.551 7.409 -2.460 574 H VAL 76 HN VAL 76 4.496 6.930 -7.343 575 HA VAL 76 HA VAL 76 2.815 9.379 -7.357 576 HB VAL 76 HB VAL 76 2.925 7.150 -9.447 577 HG11 VAL 76 HG11 VAL 76 0.606 7.982 -9.267 578 HG12 VAL 76 HG12 VAL 76 1.329 8.526 -10.780 579 HG13 VAL 76 HG13 VAL 76 1.165 9.650 -9.428 580 HG21 VAL 76 HG21 VAL 76 3.796 8.907 -10.956 581 HG22 VAL 76 HG22 VAL 76 4.847 8.707 -9.552 582 HG23 VAL 76 HG23 VAL 76 3.739 10.076 -9.632 583 H LEU 77 HN LEU 77 0.691 9.259 -6.825 584 HA LEU 77 HA LEU 77 0.087 7.504 -4.724 585 HB2 LEU 77 HB2 LEU 77 -1.828 9.344 -6.185 586 HB3 LEU 77 HB1 LEU 77 -2.048 8.682 -4.568 587 HG LEU 77 HG LEU 77 0.041 10.711 -5.437 588 HD11 LEU 77 HD11 LEU 77 -2.184 11.652 -5.160 589 HD12 LEU 77 HD12 LEU 77 -1.094 12.231 -3.903 590 HD13 LEU 77 HD13 LEU 77 -2.291 10.986 -3.530 591 HD21 LEU 77 HD21 LEU 77 1.099 9.223 -3.818 592 HD22 LEU 77 HD22 LEU 77 -0.255 9.417 -2.703 593 HD23 LEU 77 HD23 LEU 77 0.788 10.792 -3.079 594 H LYS 78 HN LYS 78 -0.868 7.287 -8.128 595 HA LYS 78 HA LYS 78 -2.937 5.342 -7.779 596 HB2 LYS 78 HB2 LYS 78 -2.763 4.929 -10.177 597 HB3 LYS 78 HB1 LYS 78 -2.640 6.661 -9.890 598 HG2 LYS 78 HG2 LYS 78 -0.188 6.533 -10.184 599 HG3 LYS 78 HG1 LYS 78 -0.304 4.798 -10.457 600 HD2 LYS 78 HD2 LYS 78 -0.088 5.894 -12.599 601 HD3 LYS 78 HD1 LYS 78 -1.724 5.242 -12.469 602 HE2 LYS 78 HE2 LYS 78 -2.541 7.515 -11.843 603 HE3 LYS 78 HE1 LYS 78 -0.906 8.140 -12.059 604 HZ1 LYS 78 HZ1 LYS 78 -0.996 7.511 -14.371 605 HZ2 LYS 78 HZ2 LYS 78 -2.295 8.520 -13.987 606 HZ3 LYS 78 HZ3 LYS 78 -2.543 6.863 -14.166 607 H ASN 79 HN ASN 79 0.530 5.196 -8.257 608 HA ASN 79 HA ASN 79 0.794 2.346 -8.425 609 HB2 ASN 79 HB2 ASN 79 2.886 4.500 -7.860 610 HB3 ASN 79 HB1 ASN 79 3.249 2.809 -8.193 611 HD21 ASN 79 HD21 ASN 79 4.005 5.256 -9.645 612 HD22 ASN 79 HD22 ASN 79 3.481 5.019 -11.269 613 H LEU 80 HN LEU 80 0.921 4.757 -5.868 614 HA LEU 80 HA LEU 80 1.924 3.121 -3.781 615 HB2 LEU 80 HB2 LEU 80 1.879 5.609 -3.675 616 HB3 LEU 80 HB1 LEU 80 0.129 5.574 -3.590 617 HG LEU 80 HG LEU 80 0.223 4.462 -1.376 618 HD11 LEU 80 HD11 LEU 80 2.291 3.175 -1.622 619 HD12 LEU 80 HD12 LEU 80 2.362 4.174 -0.176 620 HD13 LEU 80 HD13 LEU 80 3.254 4.657 -1.623 621 HD21 LEU 80 HD21 LEU 80 1.091 6.361 -0.073 622 HD22 LEU 80 HD22 LEU 80 0.184 6.930 -1.470 623 HD23 LEU 80 HD23 LEU 80 1.949 6.971 -1.492 624 H ALA 81 HN ALA 81 -1.348 3.959 -4.850 625 HA ALA 81 HA ALA 81 -2.819 2.498 -2.917 626 HB1 ALA 81 HB1 ALA 81 -3.633 3.355 -5.721 627 HB2 ALA 81 HB2 ALA 81 -3.808 4.317 -4.253 628 HB3 ALA 81 HB3 ALA 81 -4.734 2.828 -4.439 629 H ALA 82 HN ALA 82 -1.293 1.629 -5.958 630 HA ALA 82 HA ALA 82 -2.576 -0.898 -6.368 631 HB1 ALA 82 HB1 ALA 82 -0.828 -1.239 -8.066 632 HB2 ALA 82 HB2 ALA 82 0.062 0.159 -7.457 633 HB3 ALA 82 HB3 ALA 82 -1.520 0.378 -8.206 634 H ARG 83 HN ARG 83 0.521 0.150 -4.953 635 HA ARG 83 HA ARG 83 1.619 -2.428 -4.471 636 HB2 ARG 83 HB2 ARG 83 2.296 0.325 -3.390 637 HB3 ARG 83 HB1 ARG 83 3.209 -1.110 -2.935 638 HG2 ARG 83 HG2 ARG 83 3.953 -1.462 -5.212 639 HG3 ARG 83 HG1 ARG 83 2.873 -0.197 -5.812 640 HD2 ARG 83 HD2 ARG 83 5.184 0.255 -3.898 641 HD3 ARG 83 HD1 ARG 83 5.250 0.512 -5.645 642 HE ARG 83 HE ARG 83 3.153 2.034 -4.930 643 HH11 ARG 83 HH11 ARG 83 6.386 1.883 -3.611 644 HH12 ARG 83 HH12 ARG 83 6.465 3.585 -3.291 645 HH21 ARG 83 HH21 ARG 83 3.307 4.278 -4.562 646 HH22 ARG 83 HH22 ARG 83 4.722 4.929 -3.810 647 H ILE 84 HN ILE 84 -0.221 -0.202 -2.463 648 HA ILE 84 HA ILE 84 -0.202 -1.591 -0.002 649 HB ILE 84 HB ILE 84 -2.343 0.169 -1.293 650 HG12 ILE 84 HG12 ILE 84 -0.311 0.907 0.868 651 HG13 ILE 84 HG11 ILE 84 -0.080 1.232 -0.844 652 HG21 ILE 84 HG21 ILE 84 -3.309 0.467 0.972 653 HG22 ILE 84 HG22 ILE 84 -2.184 -0.732 1.611 654 HG23 ILE 84 HG23 ILE 84 -3.407 -1.209 0.433 655 HD11 ILE 84 HD11 ILE 84 -2.050 2.681 -0.840 656 HD12 ILE 84 HD12 ILE 84 -0.831 3.202 0.323 657 HD13 ILE 84 HD13 ILE 84 -2.274 2.358 0.882 658 H ASP 85 HN ASP 85 -2.420 -1.644 -2.762 659 HA ASP 85 HA ASP 85 -4.245 -3.573 -1.872 660 HB2 ASP 85 HB2 ASP 85 -4.666 -1.904 -3.652 661 HB3 ASP 85 HB1 ASP 85 -3.509 -2.714 -4.703 662 H GLU 86 HN GLU 86 -1.164 -3.936 -3.601 663 HA GLU 86 HA GLU 86 -1.263 -6.676 -4.247 664 HB2 GLU 86 HB2 GLU 86 1.127 -4.933 -3.499 665 HB3 GLU 86 HB1 GLU 86 1.279 -6.579 -4.094 666 HG2 GLU 86 HG2 GLU 86 0.171 -5.867 -6.215 667 HG3 GLU 86 HG1 GLU 86 0.147 -4.214 -5.613 668 H LEU 87 HN LEU 87 -0.017 -5.026 -1.340 669 HA LEU 87 HA LEU 87 0.748 -7.404 0.051 670 HB2 LEU 87 HB2 LEU 87 0.234 -4.600 1.100 671 HB3 LEU 87 HB1 LEU 87 1.039 -5.884 2.000 672 HG LEU 87 HG LEU 87 2.091 -4.684 -0.600 673 HD11 LEU 87 HD11 LEU 87 2.115 -3.031 1.192 674 HD12 LEU 87 HD12 LEU 87 3.747 -3.526 0.759 675 HD13 LEU 87 HD13 LEU 87 3.001 -4.147 2.235 676 HD21 LEU 87 HD21 LEU 87 4.194 -5.868 -0.058 677 HD22 LEU 87 HD22 LEU 87 2.860 -6.996 -0.281 678 HD23 LEU 87 HD23 LEU 87 3.423 -6.611 1.347 679 H VAL 88 HN VAL 88 -2.222 -5.574 -0.121 680 HA VAL 88 HA VAL 88 -3.507 -6.675 2.215 681 HB VAL 88 HB VAL 88 -4.588 -5.100 -0.170 682 HG11 VAL 88 HG11 VAL 88 -6.722 -4.849 1.089 683 HG12 VAL 88 HG12 VAL 88 -6.134 -5.990 2.300 684 HG13 VAL 88 HG13 VAL 88 -6.418 -6.528 0.643 685 HG21 VAL 88 HG21 VAL 88 -4.168 -4.287 2.739 686 HG22 VAL 88 HG22 VAL 88 -4.801 -3.245 1.463 687 HG23 VAL 88 HG23 VAL 88 -3.138 -3.824 1.383 688 H ALA 89 HN ALA 89 -3.470 -7.378 -1.257 689 HA ALA 89 HA ALA 89 -5.403 -9.474 -1.285 690 HB1 ALA 89 HB1 ALA 89 -4.500 -10.006 -3.514 691 HB2 ALA 89 HB2 ALA 89 -3.118 -8.948 -3.216 692 HB3 ALA 89 HB3 ALA 89 -4.740 -8.267 -3.325 693 H ALA 90 HN ALA 90 -1.860 -9.429 -1.096 694 HA ALA 90 HA ALA 90 -1.366 -12.201 -0.991 695 HB1 ALA 90 HB1 ALA 90 0.282 -9.927 0.170 696 HB2 ALA 90 HB2 ALA 90 0.382 -10.536 -1.483 697 HB3 ALA 90 HB3 ALA 90 0.861 -11.569 -0.134 698 H LYS 91 HN LYS 91 -2.396 -9.909 1.446 699 HA LYS 91 HA LYS 91 -1.762 -11.581 3.750 700 HB2 LYS 91 HB2 LYS 91 -1.583 -9.126 3.947 701 HB3 LYS 91 HB1 LYS 91 -3.277 -8.943 3.504 702 HG2 LYS 91 HG2 LYS 91 -3.847 -10.272 5.620 703 HG3 LYS 91 HG1 LYS 91 -2.148 -10.122 6.068 704 HD2 LYS 91 HD2 LYS 91 -3.493 -8.400 7.186 705 HD3 LYS 91 HD1 LYS 91 -2.353 -7.656 6.061 706 HE2 LYS 91 HE2 LYS 91 -4.127 -7.273 4.438 707 HE3 LYS 91 HE1 LYS 91 -5.279 -8.189 5.407 708 HZ1 LYS 91 HZ1 LYS 91 -5.092 -6.519 7.133 709 HZ2 LYS 91 HZ2 LYS 91 -5.589 -5.837 5.669 710 HZ3 LYS 91 HZ3 LYS 91 -3.996 -5.641 6.188 711 H GLY 92 HN GLY 92 -4.594 -10.598 1.851 712 HA2 GLY 92 HA2 GLY 92 -6.522 -11.424 3.874 713 HA3 GLY 92 HA1 GLY 92 -6.869 -10.666 2.325 714 H ALA 93 HN ALA 93 -5.549 -12.386 0.605 715 HA ALA 93 HA ALA 93 -7.247 -14.769 0.627 716 HB1 ALA 93 HB1 ALA 93 -6.428 -15.076 -1.682 717 HB2 ALA 93 HB2 ALA 93 -5.310 -13.724 -1.474 718 HB3 ALA 93 HB3 ALA 93 -7.050 -13.441 -1.437 719 H LEU 94 HN LEU 94 -4.427 -14.037 2.129 720 HA LEU 94 HA LEU 94 -2.707 -15.132 3.062 721 HB2 LEU 94 HB2 LEU 94 -4.171 -17.674 2.237 722 HB3 LEU 94 HB1 LEU 94 -2.888 -17.573 3.435 723 HG LEU 94 HG LEU 94 -5.673 -16.363 3.681 724 HD11 LEU 94 HD11 LEU 94 -5.664 -18.800 3.959 725 HD12 LEU 94 HD12 LEU 94 -6.035 -17.987 5.475 726 HD13 LEU 94 HD13 LEU 94 -4.426 -18.667 5.212 727 HD21 LEU 94 HD21 LEU 94 -5.051 -15.726 5.977 728 HD22 LEU 94 HD22 LEU 94 -4.057 -14.902 4.782 729 HD23 LEU 94 HD23 LEU 94 -3.395 -16.266 5.687 730 H GLU 95 HN GLU 95 -1.145 -17.307 2.447 731 HA GLU 95 HA GLU 95 0.166 -16.653 -0.027 732 HB2 GLU 95 HB2 GLU 95 0.538 -18.978 1.900 733 HB3 GLU 95 HB1 GLU 95 1.589 -18.676 0.515 734 HG2 GLU 95 HG2 GLU 95 2.309 -16.560 1.444 735 HG3 GLU 95 HG1 GLU 95 1.149 -16.691 2.765 736 H HIS 96 HN HIS 96 -2.632 -18.331 0.519 737 HA HIS 96 HA HIS 96 -2.400 -20.270 -1.669 738 HB2 HIS 96 HB2 HIS 96 -3.470 -20.719 0.676 739 HB3 HIS 96 HB1 HIS 96 -4.818 -19.743 0.122 740 HD1 HIS 96 HD1 HIS 96 -3.287 -23.107 -0.161 741 HD2 HIS 96 HD2 HIS 96 -6.447 -21.024 -1.877 742 HE1 HIS 96 HE1 HIS 96 -4.712 -24.848 -1.272 743 HE2 HIS 96 HE2 HIS 96 -6.538 -23.546 -2.423 744 H HIS 97 HN HIS 97 -2.409 -17.266 -2.086 745 HA HIS 97 HA HIS 97 -4.985 -16.453 -3.032 746 HB2 HIS 97 HB2 HIS 97 -3.693 -14.456 -4.021 747 HB3 HIS 97 HB1 HIS 97 -3.631 -14.663 -2.281 748 HD1 HIS 97 HD1 HIS 97 -1.382 -14.403 -1.305 749 HD2 HIS 97 HD2 HIS 97 -1.146 -15.494 -5.302 750 HE1 HIS 97 HE1 HIS 97 1.060 -14.364 -1.862 751 HE2 HIS 97 HE2 HIS 97 1.186 -15.145 -4.249 752 H HIS 98 HN HIS 98 -5.537 -18.197 -4.401 753 HA HIS 98 HA HIS 98 -4.251 -18.727 -6.923 754 HB2 HIS 98 HB2 HIS 98 -5.721 -20.355 -5.656 755 HB3 HIS 98 HB1 HIS 98 -7.112 -19.355 -6.042 756 HD1 HIS 98 HD1 HIS 98 -8.254 -19.828 -8.243 757 HD2 HIS 98 HD2 HIS 98 -4.499 -21.585 -7.999 758 HE1 HIS 98 HE1 HIS 98 -8.086 -21.340 -10.239 759 HE2 HIS 98 HE2 HIS 98 -5.755 -22.285 -10.139 760 H HIS 99 HN HIS 99 -6.774 -16.645 -5.744 761 HA HIS 99 HA HIS 99 -6.544 -14.952 -8.136 762 HB2 HIS 99 HB2 HIS 99 -8.791 -16.350 -7.968 763 HB3 HIS 99 HB1 HIS 99 -9.208 -15.239 -6.674 764 HD1 HIS 99 HD1 HIS 99 -9.835 -15.714 -10.079 765 HD2 HIS 99 HD2 HIS 99 -8.842 -12.347 -7.840 766 HE1 HIS 99 HE1 HIS 99 -10.580 -13.751 -11.453 767 HE2 HIS 99 HE2 HIS 99 -9.957 -11.722 -10.098 768 H HIS 100 HN HIS 100 -6.381 -12.750 -7.540 769 HA HIS 100 HA HIS 100 -5.508 -12.334 -4.796 770 HB2 HIS 100 HB2 HIS 100 -4.635 -10.153 -5.633 771 HB3 HIS 100 HB1 HIS 100 -4.104 -11.498 -6.630 772 HD1 HIS 100 HD1 HIS 100 -6.453 -8.550 -6.672 773 HD2 HIS 100 HD2 HIS 100 -4.845 -11.321 -9.316 774 HE1 HIS 100 HE1 HIS 100 -7.004 -7.689 -8.966 775 HE2 HIS 100 HE2 HIS 100 -6.041 -9.395 -10.549 776 H HIS 101 HN HIS 101 -8.326 -12.702 -4.857 777 HA HIS 101 HA HIS 101 -9.250 -10.252 -3.595 778 HB2 HIS 101 HB2 HIS 101 -9.833 -9.893 -6.007 779 HB3 HIS 101 HB1 HIS 101 -10.784 -11.374 -5.996 780 HD1 HIS 101 HD1 HIS 101 -13.112 -11.266 -4.950 781 HD2 HIS 101 HD2 HIS 101 -10.980 -7.714 -4.620 782 HE1 HIS 101 HE1 HIS 101 -14.779 -9.553 -4.194 783 HE2 HIS 101 HE2 HIS 101 -13.437 -7.444 -3.866 784 H282 PNS 102 H282 PNS 102 14.446 13.248 -0.700 785 H281 PNS 102 H281 PNS 102 14.196 13.761 0.962 786 H303 PNS 102 H303 PNS 102 15.761 12.563 2.818 787 H302 PNS 102 H302 PNS 102 15.666 11.010 1.990 788 H301 PNS 102 H301 PNS 102 17.235 11.764 2.274 789 H313 PNS 102 H313 PNS 102 16.357 14.687 1.491 790 H312 PNS 102 H312 PNS 102 17.860 13.913 0.991 791 H311 PNS 102 H311 PNS 102 16.765 14.574 -0.224 792 H32 PNS 102 H32 PNS 102 16.198 10.861 -0.565 793 H33 PNS 102 H33 PNS 102 16.657 11.798 -2.463 794 H36 PNS 102 H36 PNS 102 18.796 13.131 -1.170 795 H372 PNS 102 H372 PNS 102 20.825 12.496 0.523 796 H371 PNS 102 H371 PNS 102 20.848 11.156 -0.632 797 H382 PNS 102 H382 PNS 102 21.049 14.091 -1.377 798 H381 PNS 102 H381 PNS 102 22.424 12.997 -1.218 799 H41 PNS 102 H41 PNS 102 19.234 13.142 -2.892 800 H422 PNS 102 H422 PNS 102 20.222 12.982 -5.520 801 H421 PNS 102 H421 PNS 102 19.818 11.345 -4.982 802 H431 PNS 102 H431 PNS 102 17.913 13.703 -4.975 803 H432 PNS 102 H432 PNS 102 17.525 12.043 -4.504 804 H44 PNS 102 H44 PNS 102 18.860 12.241 -7.546 Start of MODEL 13 1 H1 MET 1 HT1 MET 1 -15.878 -2.388 1.263 2 H2 MET 1 HT2 MET 1 -15.244 -3.392 0.060 3 H3 MET 1 HT3 MET 1 -16.776 -2.706 -0.135 4 HA MET 1 HA MET 1 -15.129 -1.594 -1.482 5 HB2 MET 1 HB2 MET 1 -16.182 0.078 0.845 6 HB3 MET 1 HB1 MET 1 -15.541 0.749 -0.649 7 HG2 MET 1 HG2 MET 1 -17.999 -1.004 -0.426 8 HG3 MET 1 HG1 MET 1 -17.991 0.749 -0.625 9 HE1 MET 1 HE1 MET 1 -16.414 1.080 -4.253 10 HE2 MET 1 HE2 MET 1 -15.532 1.102 -2.728 11 HE3 MET 1 HE3 MET 1 -17.063 1.969 -2.874 12 H THR 2 HN THR 2 -12.958 -2.085 -1.444 13 HA THR 2 HA THR 2 -11.239 -1.120 0.733 14 HB THR 2 HB THR 2 -10.350 -2.449 -1.877 15 HG1 THR 2 HG1 THR 2 -11.430 -4.081 -1.014 16 HG21 THR 2 HG21 THR 2 -8.308 -3.029 -0.614 17 HG22 THR 2 HG22 THR 2 -8.951 -2.234 0.825 18 HG23 THR 2 HG23 THR 2 -8.547 -1.277 -0.603 19 H SER 3 HN SER 3 -11.986 1.043 0.382 20 HA SER 3 HA SER 3 -11.381 2.466 -2.057 21 HB2 SER 3 HB2 SER 3 -12.353 3.526 0.634 22 HB3 SER 3 HB1 SER 3 -12.436 4.353 -0.923 23 HG SER 3 HG SER 3 -14.135 3.206 -1.451 24 H THR 4 HN THR 4 -9.130 1.981 -2.093 25 HA THR 4 HA THR 4 -7.387 2.399 0.103 26 HB THR 4 HB THR 4 -6.644 1.991 -2.832 27 HG1 THR 4 HG1 THR 4 -6.755 -0.195 -2.361 28 HG21 THR 4 HG21 THR 4 -5.068 1.428 -0.282 29 HG22 THR 4 HG22 THR 4 -4.729 2.719 -1.437 30 HG23 THR 4 HG23 THR 4 -4.549 1.032 -1.923 31 H PHE 5 HN PHE 5 -7.808 4.202 -3.006 32 HA PHE 5 HA PHE 5 -5.881 6.214 -2.350 33 HB2 PHE 5 HB2 PHE 5 -6.417 5.738 -4.702 34 HB3 PHE 5 HB1 PHE 5 -8.084 6.243 -4.453 35 HD1 PHE 5 HD1 PHE 5 -4.587 7.602 -4.069 36 HD2 PHE 5 HD2 PHE 5 -8.658 8.450 -5.101 37 HE1 PHE 5 HE1 PHE 5 -3.978 9.916 -4.635 38 HE2 PHE 5 HE2 PHE 5 -8.024 10.758 -5.670 39 HZ PHE 5 HZ PHE 5 -5.686 11.492 -5.435 40 H ASP 6 HN ASP 6 -9.363 5.909 -1.767 41 HA ASP 6 HA ASP 6 -9.967 8.481 -0.797 42 HB2 ASP 6 HB2 ASP 6 -10.966 5.720 -0.010 43 HB3 ASP 6 HB1 ASP 6 -11.522 7.130 0.876 44 H ARG 7 HN ARG 7 -8.623 5.671 0.879 45 HA ARG 7 HA ARG 7 -8.267 6.855 3.425 46 HB2 ARG 7 HB2 ARG 7 -7.023 4.408 2.115 47 HB3 ARG 7 HB1 ARG 7 -6.550 4.918 3.733 48 HG2 ARG 7 HG2 ARG 7 -9.368 4.158 2.900 49 HG3 ARG 7 HG1 ARG 7 -8.232 3.114 3.767 50 HD2 ARG 7 HD2 ARG 7 -8.146 4.831 5.598 51 HD3 ARG 7 HD1 ARG 7 -9.408 5.736 4.763 52 HE ARG 7 HE ARG 7 -10.776 3.599 5.034 53 HH11 ARG 7 HH11 ARG 7 -8.288 4.480 7.354 54 HH12 ARG 7 HH12 ARG 7 -9.121 3.775 8.703 55 HH21 ARG 7 HH21 ARG 7 -11.872 2.673 6.801 56 HH22 ARG 7 HH22 ARG 7 -11.162 2.729 8.383 57 H VAL 8 HN VAL 8 -6.006 6.404 0.701 58 HA VAL 8 HA VAL 8 -3.676 7.353 1.971 59 HB VAL 8 HB VAL 8 -4.335 7.224 -1.006 60 HG11 VAL 8 HG11 VAL 8 -1.616 7.555 0.336 61 HG12 VAL 8 HG12 VAL 8 -2.447 8.794 -0.610 62 HG13 VAL 8 HG13 VAL 8 -1.879 7.319 -1.396 63 HG21 VAL 8 HG21 VAL 8 -2.788 5.276 0.760 64 HG22 VAL 8 HG22 VAL 8 -3.035 5.107 -0.981 65 HG23 VAL 8 HG23 VAL 8 -4.410 5.011 0.121 66 H ALA 9 HN ALA 9 -6.066 8.989 -0.117 67 HA ALA 9 HA ALA 9 -4.901 11.536 -0.229 68 HB1 ALA 9 HB1 ALA 9 -7.131 12.331 -0.912 69 HB2 ALA 9 HB2 ALA 9 -7.853 10.816 -0.360 70 HB3 ALA 9 HB3 ALA 9 -6.730 10.816 -1.722 71 H THR 10 HN THR 10 -7.334 10.220 2.037 72 HA THR 10 HA THR 10 -7.647 12.465 3.703 73 HB THR 10 HB THR 10 -7.872 9.519 4.486 74 HG1 THR 10 HG1 THR 10 -9.539 9.603 3.212 75 HG21 THR 10 HG21 THR 10 -9.132 11.958 5.805 76 HG22 THR 10 HG22 THR 10 -7.806 11.005 6.480 77 HG23 THR 10 HG23 THR 10 -9.400 10.275 6.265 78 H ILE 11 HN ILE 11 -5.364 9.740 3.895 79 HA ILE 11 HA ILE 11 -4.088 10.332 6.296 80 HB ILE 11 HB ILE 11 -3.249 8.742 3.848 81 HG12 ILE 11 HG12 ILE 11 -3.867 7.873 6.707 82 HG13 ILE 11 HG11 ILE 11 -5.042 7.880 5.398 83 HG21 ILE 11 HG21 ILE 11 -1.117 9.565 4.715 84 HG22 ILE 11 HG22 ILE 11 -1.285 7.849 5.092 85 HG23 ILE 11 HG23 ILE 11 -1.554 9.057 6.349 86 HD11 ILE 11 HD11 ILE 11 -2.558 6.176 5.555 87 HD12 ILE 11 HD12 ILE 11 -3.708 6.194 4.215 88 HD13 ILE 11 HD13 ILE 11 -4.222 5.654 5.812 89 H ILE 12 HN ILE 12 -3.216 11.356 2.967 90 HA ILE 12 HA ILE 12 -0.789 12.659 3.685 91 HB ILE 12 HB ILE 12 -2.590 12.996 1.243 92 HG12 ILE 12 HG12 ILE 12 0.005 11.426 1.559 93 HG13 ILE 12 HG11 ILE 12 -1.606 10.712 1.536 94 HG21 ILE 12 HG21 ILE 12 0.245 14.022 1.617 95 HG22 ILE 12 HG22 ILE 12 -1.213 15.006 1.477 96 HG23 ILE 12 HG23 ILE 12 -0.661 14.050 0.102 97 HD11 ILE 12 HD11 ILE 12 -1.888 11.487 -0.783 98 HD12 ILE 12 HD12 ILE 12 -0.491 10.428 -0.588 99 HD13 ILE 12 HD13 ILE 12 -0.257 12.170 -0.738 100 H ALA 13 HN ALA 13 -4.117 13.762 3.186 101 HA ALA 13 HA ALA 13 -3.875 16.479 3.708 102 HB1 ALA 13 HB1 ALA 13 -6.283 16.417 4.242 103 HB2 ALA 13 HB2 ALA 13 -6.214 14.657 4.373 104 HB3 ALA 13 HB3 ALA 13 -5.916 15.437 2.819 105 H GLU 14 HN GLU 14 -4.278 13.797 6.047 106 HA GLU 14 HA GLU 14 -4.407 15.572 8.332 107 HB2 GLU 14 HB2 GLU 14 -4.297 12.532 8.194 108 HB3 GLU 14 HB1 GLU 14 -4.584 13.474 9.661 109 HG2 GLU 14 HG2 GLU 14 -6.384 13.233 7.230 110 HG3 GLU 14 HG1 GLU 14 -6.694 12.626 8.851 111 H THR 15 HN THR 15 -1.864 13.839 6.667 112 HA THR 15 HA THR 15 -0.011 13.867 8.892 113 HB THR 15 HB THR 15 0.501 13.253 5.943 114 HG1 THR 15 HG1 THR 15 -0.371 11.406 6.466 115 HG21 THR 15 HG21 THR 15 2.290 12.758 8.357 116 HG22 THR 15 HG22 THR 15 2.595 13.924 7.065 117 HG23 THR 15 HG23 THR 15 2.598 12.194 6.711 118 H CYS 16 HN CYS 16 -0.037 15.573 5.668 119 HA CYS 16 HA CYS 16 1.998 17.452 6.720 120 HB2 CYS 16 HB2 CYS 16 1.419 16.619 3.838 121 HB3 CYS 16 HB1 CYS 16 2.712 17.701 4.362 122 HG CYS 16 HG CYS 16 4.306 15.678 4.114 123 H ASP 17 HN ASP 17 -1.093 17.541 6.730 124 HA ASP 17 HA ASP 17 -2.848 18.902 6.361 125 HB2 ASP 17 HB2 ASP 17 -1.418 20.188 7.987 126 HB3 ASP 17 HB1 ASP 17 -0.742 21.092 6.633 127 H ILE 18 HN ILE 18 -2.536 17.905 4.053 128 HA ILE 18 HA ILE 18 -2.133 19.958 1.955 129 HB ILE 18 HB ILE 18 -2.388 16.928 1.644 130 HG12 ILE 18 HG12 ILE 18 -0.310 17.576 2.897 131 HG13 ILE 18 HG11 ILE 18 0.028 16.818 1.347 132 HG21 ILE 18 HG21 ILE 18 -1.541 19.026 -0.403 133 HG22 ILE 18 HG22 ILE 18 -3.045 18.103 -0.410 134 HG23 ILE 18 HG23 ILE 18 -1.508 17.276 -0.651 135 HD11 ILE 18 HD11 ILE 18 0.167 19.775 1.930 136 HD12 ILE 18 HD12 ILE 18 0.525 19.008 0.379 137 HD13 ILE 18 HD13 ILE 18 1.527 18.665 1.787 138 HA PRO 19 HA PRO 19 -6.702 19.998 1.269 139 HB2 PRO 19 HB2 PRO 19 -5.895 20.897 -1.488 140 HB3 PRO 19 HB1 PRO 19 -7.048 21.626 -0.361 141 HG2 PRO 19 HG2 PRO 19 -4.652 22.745 -0.750 142 HG3 PRO 19 HG1 PRO 19 -5.373 22.697 0.875 143 HD2 PRO 19 HD2 PRO 19 -3.204 20.943 -0.293 144 HD3 PRO 19 HD1 PRO 19 -3.314 21.669 1.325 145 H ARG 20 HN ARG 20 -7.694 18.067 0.928 146 HA ARG 20 HA ARG 20 -6.611 15.933 -0.543 147 HB2 ARG 20 HB2 ARG 20 -8.142 15.531 1.310 148 HB3 ARG 20 HB1 ARG 20 -9.453 16.349 0.461 149 HG2 ARG 20 HG2 ARG 20 -9.519 14.591 -1.224 150 HG3 ARG 20 HG1 ARG 20 -8.106 13.808 -0.518 151 HD2 ARG 20 HD2 ARG 20 -9.351 13.191 1.444 152 HD3 ARG 20 HD1 ARG 20 -10.730 14.166 0.948 153 HE ARG 20 HE ARG 20 -10.363 12.407 -1.122 154 HH11 ARG 20 HH11 ARG 20 -10.945 11.928 2.329 155 HH12 ARG 20 HH12 ARG 20 -11.838 10.466 2.065 156 HH21 ARG 20 HH21 ARG 20 -11.535 10.526 -1.405 157 HH22 ARG 20 HH22 ARG 20 -12.183 9.683 -0.034 158 H GLU 21 HN GLU 21 -8.641 18.557 -1.574 159 HA GLU 21 HA GLU 21 -9.705 17.434 -3.966 160 HB2 GLU 21 HB2 GLU 21 -10.243 19.756 -4.586 161 HB3 GLU 21 HB1 GLU 21 -10.662 19.453 -2.905 162 HG2 GLU 21 HG2 GLU 21 -8.670 20.647 -2.143 163 HG3 GLU 21 HG1 GLU 21 -8.128 20.864 -3.803 164 H THR 22 HN THR 22 -6.627 18.923 -3.151 165 HA THR 22 HA THR 22 -5.765 19.114 -5.950 166 HB THR 22 HB THR 22 -3.739 20.216 -5.038 167 HG1 THR 22 HG1 THR 22 -3.437 19.334 -3.044 168 HG21 THR 22 HG21 THR 22 -4.783 22.255 -4.132 169 HG22 THR 22 HG22 THR 22 -6.282 21.372 -3.852 170 HG23 THR 22 HG23 THR 22 -5.714 21.642 -5.501 171 H ILE 23 HN ILE 23 -5.844 16.730 -3.586 172 HA ILE 23 HA ILE 23 -3.368 15.367 -4.313 173 HB ILE 23 HB ILE 23 -5.756 14.543 -2.579 174 HG12 ILE 23 HG12 ILE 23 -2.934 15.369 -1.749 175 HG13 ILE 23 HG11 ILE 23 -4.361 16.391 -1.631 176 HG21 ILE 23 HG21 ILE 23 -4.708 12.525 -3.525 177 HG22 ILE 23 HG22 ILE 23 -4.418 12.628 -1.793 178 HG23 ILE 23 HG23 ILE 23 -3.127 13.053 -2.918 179 HD11 ILE 23 HD11 ILE 23 -5.337 14.803 -0.007 180 HD12 ILE 23 HD12 ILE 23 -3.796 15.483 0.520 181 HD13 ILE 23 HD13 ILE 23 -3.855 13.837 -0.103 182 H THR 24 HN THR 24 -3.546 14.937 -6.499 183 HA THR 24 HA THR 24 -5.956 13.696 -7.636 184 HB THR 24 HB THR 24 -4.722 14.104 -9.841 185 HG1 THR 24 HG1 THR 24 -2.655 14.467 -9.559 186 HG21 THR 24 HG21 THR 24 -5.082 16.552 -9.859 187 HG22 THR 24 HG22 THR 24 -5.159 16.558 -8.096 188 HG23 THR 24 HG23 THR 24 -6.404 15.728 -9.031 189 HA PRO 25 HA PRO 25 -4.331 9.547 -7.636 190 HB2 PRO 25 HB2 PRO 25 -5.097 8.581 -10.131 191 HB3 PRO 25 HB1 PRO 25 -6.197 8.749 -8.757 192 HG2 PRO 25 HG2 PRO 25 -5.740 10.646 -11.062 193 HG3 PRO 25 HG1 PRO 25 -7.283 10.092 -10.366 194 HD2 PRO 25 HD2 PRO 25 -6.303 12.491 -9.722 195 HD3 PRO 25 HD1 PRO 25 -7.064 11.483 -8.471 196 H GLU 26 HN GLU 26 -3.562 11.497 -10.514 197 HA GLU 26 HA GLU 26 -1.314 9.789 -11.292 198 HB2 GLU 26 HB2 GLU 26 -2.428 12.338 -12.533 199 HB3 GLU 26 HB1 GLU 26 -1.128 11.365 -13.219 200 HG2 GLU 26 HG2 GLU 26 -2.714 9.456 -13.451 201 HG3 GLU 26 HG1 GLU 26 -4.010 10.481 -12.822 202 H SER 27 HN SER 27 -1.522 11.776 -8.834 203 HA SER 27 HA SER 27 0.504 13.790 -9.357 204 HB2 SER 27 HB2 SER 27 -1.268 14.453 -7.871 205 HB3 SER 27 HB1 SER 27 -1.076 13.023 -6.866 206 HG SER 27 HG SER 27 -0.004 15.328 -6.454 207 H HIS 28 HN HIS 28 2.598 13.677 -8.764 208 HA HIS 28 HA HIS 28 3.671 11.254 -7.507 209 HB2 HIS 28 HB2 HIS 28 4.728 12.384 -9.563 210 HB3 HIS 28 HB1 HIS 28 5.184 13.710 -8.502 211 HD2 HIS 28 HD2 HIS 28 6.318 10.200 -9.525 212 HE1 HIS 28 HE1 HIS 28 9.000 11.627 -6.596 213 HE2 HIS 28 HE2 HIS 28 8.682 10.008 -8.502 214 H ALA 29 HN ALA 29 3.927 11.260 -5.301 215 HA ALA 29 HA ALA 29 3.167 13.187 -3.541 216 HB1 ALA 29 HB1 ALA 29 3.547 10.835 -2.943 217 HB2 ALA 29 HB2 ALA 29 4.391 11.910 -1.826 218 HB3 ALA 29 HB3 ALA 29 5.291 11.067 -3.091 219 H ILE 30 HN ILE 30 6.292 13.013 -5.177 220 HA ILE 30 HA ILE 30 7.517 14.852 -3.224 221 HB ILE 30 HB ILE 30 8.876 13.216 -5.418 222 HG12 ILE 30 HG12 ILE 30 8.594 12.625 -2.431 223 HG13 ILE 30 HG11 ILE 30 7.901 11.685 -3.746 224 HG21 ILE 30 HG21 ILE 30 10.976 13.738 -4.246 225 HG22 ILE 30 HG22 ILE 30 10.093 14.731 -3.083 226 HG23 ILE 30 HG23 ILE 30 10.166 15.216 -4.778 227 HD11 ILE 30 HD11 ILE 30 10.826 11.968 -3.077 228 HD12 ILE 30 HD12 ILE 30 10.189 11.088 -4.467 229 HD13 ILE 30 HD13 ILE 30 9.807 10.551 -2.832 230 H ASP 31 HN ASP 31 7.047 14.380 -6.767 231 HA ASP 31 HA ASP 31 8.186 16.918 -7.505 232 HB2 ASP 31 HB2 ASP 31 6.476 14.971 -9.112 233 HB3 ASP 31 HB1 ASP 31 7.168 16.443 -9.794 234 H ASP 32 HN ASP 32 4.816 15.696 -7.382 235 HA ASP 32 HA ASP 32 3.750 18.271 -8.214 236 HB2 ASP 32 HB2 ASP 32 2.710 16.173 -9.024 237 HB3 ASP 32 HB1 ASP 32 2.299 15.718 -7.376 238 H LEU 33 HN LEU 33 3.198 16.156 -5.345 239 HA LEU 33 HA LEU 33 1.760 18.186 -3.920 240 HB2 LEU 33 HB2 LEU 33 2.914 15.555 -2.947 241 HB3 LEU 33 HB1 LEU 33 1.885 16.595 -1.975 242 HG LEU 33 HG LEU 33 1.077 15.114 -4.508 243 HD11 LEU 33 HD11 LEU 33 1.290 13.663 -2.568 244 HD12 LEU 33 HD12 LEU 33 -0.407 13.862 -2.992 245 HD13 LEU 33 HD13 LEU 33 0.260 14.733 -1.609 246 HD21 LEU 33 HD21 LEU 33 -0.602 16.986 -2.788 247 HD22 LEU 33 HD22 LEU 33 -1.215 15.964 -4.094 248 HD23 LEU 33 HD23 LEU 33 -0.087 17.268 -4.457 249 H GLY 34 HN GLY 34 5.123 17.558 -4.235 250 HA2 GLY 34 HA2 GLY 34 6.988 18.531 -3.320 251 HA3 GLY 34 HA1 GLY 34 5.934 19.761 -2.645 252 H ILE 35 HN ILE 35 6.238 16.286 -2.109 253 HA ILE 35 HA ILE 35 6.608 16.678 0.810 254 HB ILE 35 HB ILE 35 5.079 14.523 -0.735 255 HG12 ILE 35 HG12 ILE 35 4.120 16.542 1.347 256 HG13 ILE 35 HG11 ILE 35 3.852 16.659 -0.390 257 HG21 ILE 35 HG21 ILE 35 4.578 13.401 1.380 258 HG22 ILE 35 HG22 ILE 35 5.590 14.544 2.252 259 HG23 ILE 35 HG23 ILE 35 6.320 13.432 1.095 260 HD11 ILE 35 HD11 ILE 35 1.874 15.902 0.772 261 HD12 ILE 35 HD12 ILE 35 2.748 14.525 1.435 262 HD13 ILE 35 HD13 ILE 35 2.469 14.644 -0.307 263 H ASP 36 HN ASP 36 8.619 16.031 1.446 264 HA ASP 36 HA ASP 36 10.359 14.570 -0.362 265 HB2 ASP 36 HB2 ASP 36 10.861 15.617 2.465 266 HB3 ASP 36 HB1 ASP 36 12.086 14.860 1.452 267 H SER 37 HN SER 37 11.760 12.834 0.662 268 HA SER 37 HA SER 37 10.517 10.468 1.281 269 HB2 SER 37 HB2 SER 37 12.867 9.955 2.388 270 HB3 SER 37 HB1 SER 37 12.799 10.364 0.664 271 H LEU 38 HN LEU 38 11.889 12.821 3.556 272 HA LEU 38 HA LEU 38 11.535 11.517 6.001 273 HB2 LEU 38 HB2 LEU 38 11.456 14.507 5.431 274 HB3 LEU 38 HB1 LEU 38 11.720 13.781 7.015 275 HG LEU 38 HG LEU 38 13.589 13.465 4.629 276 HD11 LEU 38 HD11 LEU 38 13.610 15.756 5.449 277 HD12 LEU 38 HD12 LEU 38 15.118 14.941 5.854 278 HD13 LEU 38 HD13 LEU 38 13.890 15.194 7.100 279 HD21 LEU 38 HD21 LEU 38 13.936 12.567 7.516 280 HD22 LEU 38 HD22 LEU 38 15.163 12.464 6.248 281 HD23 LEU 38 HD23 LEU 38 13.685 11.516 6.119 282 H ASP 39 HN ASP 39 9.331 13.702 4.273 283 HA ASP 39 HA ASP 39 7.245 13.718 6.277 284 HB2 ASP 39 HB2 ASP 39 7.024 14.534 3.346 285 HB3 ASP 39 HB1 ASP 39 5.970 15.041 4.668 286 H PHE 40 HN PHE 40 7.999 11.895 3.389 287 HA PHE 40 HA PHE 40 5.399 10.723 2.984 288 HB2 PHE 40 HB2 PHE 40 7.040 11.148 1.127 289 HB3 PHE 40 HB1 PHE 40 8.103 9.927 1.811 290 HD1 PHE 40 HD1 PHE 40 4.660 10.395 0.413 291 HD2 PHE 40 HD2 PHE 40 7.875 7.656 1.120 292 HE1 PHE 40 HE1 PHE 40 3.505 8.686 -0.920 293 HE2 PHE 40 HE2 PHE 40 6.704 5.950 -0.215 294 HZ PHE 40 HZ PHE 40 4.520 6.464 -1.240 295 H LEU 41 HN LEU 41 8.226 9.954 4.905 296 HA LEU 41 HA LEU 41 7.867 7.203 5.418 297 HB2 LEU 41 HB2 LEU 41 8.889 9.389 7.280 298 HB3 LEU 41 HB1 LEU 41 9.003 7.668 7.630 299 HG LEU 41 HG LEU 41 10.381 9.090 5.325 300 HD11 LEU 41 HD11 LEU 41 11.378 9.700 7.463 301 HD12 LEU 41 HD12 LEU 41 12.469 8.669 6.541 302 HD13 LEU 41 HD13 LEU 41 11.554 7.995 7.893 303 HD21 LEU 41 HD21 LEU 41 9.822 6.792 4.703 304 HD22 LEU 41 HD22 LEU 41 10.569 6.185 6.184 305 HD23 LEU 41 HD23 LEU 41 11.560 6.957 4.945 306 H ASP 42 HN ASP 42 6.601 10.076 7.080 307 HA ASP 42 HA ASP 42 5.039 8.805 9.067 308 HB2 ASP 42 HB2 ASP 42 4.695 11.560 7.807 309 HB3 ASP 42 HB1 ASP 42 3.904 11.026 9.292 310 H ILE 43 HN ILE 43 4.253 9.960 5.807 311 HA ILE 43 HA ILE 43 1.491 9.352 5.762 312 HB ILE 43 HB ILE 43 3.499 9.400 3.460 313 HG12 ILE 43 HG12 ILE 43 1.549 11.540 4.438 314 HG13 ILE 43 HG11 ILE 43 3.295 11.563 4.660 315 HG21 ILE 43 HG21 ILE 43 1.533 8.110 2.754 316 HG22 ILE 43 HG22 ILE 43 1.559 9.668 1.927 317 HG23 ILE 43 HG23 ILE 43 0.464 9.411 3.286 318 HD11 ILE 43 HD11 ILE 43 2.624 13.069 2.902 319 HD12 ILE 43 HD12 ILE 43 1.827 11.760 2.030 320 HD13 ILE 43 HD13 ILE 43 3.584 11.753 2.225 321 H ALA 44 HN ALA 44 4.376 7.361 5.112 322 HA ALA 44 HA ALA 44 2.927 5.184 3.897 323 HB1 ALA 44 HB1 ALA 44 5.136 4.092 3.810 324 HB2 ALA 44 HB2 ALA 44 5.818 5.380 4.815 325 HB3 ALA 44 HB3 ALA 44 5.217 5.748 3.197 326 H PHE 45 HN PHE 45 4.201 5.998 7.087 327 HA PHE 45 HA PHE 45 3.806 3.476 8.374 328 HB2 PHE 45 HB2 PHE 45 4.168 6.312 9.400 329 HB3 PHE 45 HB1 PHE 45 3.690 5.040 10.519 330 HD1 PHE 45 HD1 PHE 45 5.195 2.787 10.208 331 HD2 PHE 45 HD2 PHE 45 6.473 6.784 9.372 332 HE1 PHE 45 HE1 PHE 45 7.530 2.117 10.546 333 HE2 PHE 45 HE2 PHE 45 8.814 6.094 9.698 334 HZ PHE 45 HZ PHE 45 9.345 3.761 10.287 335 H ALA 46 HN ALA 46 1.834 6.408 8.008 336 HA ALA 46 HA ALA 46 -0.369 5.597 9.604 337 HB1 ALA 46 HB1 ALA 46 0.010 7.941 8.975 338 HB2 ALA 46 HB2 ALA 46 -1.605 7.419 8.485 339 HB3 ALA 46 HB3 ALA 46 -0.313 7.557 7.285 340 H ILE 47 HN ILE 47 0.350 5.193 6.154 341 HA ILE 47 HA ILE 47 -2.053 3.892 5.370 342 HB ILE 47 HB ILE 47 0.749 3.862 4.178 343 HG12 ILE 47 HG12 ILE 47 -1.776 5.271 3.203 344 HG13 ILE 47 HG11 ILE 47 -0.494 6.054 4.119 345 HG21 ILE 47 HG21 ILE 47 -1.765 2.686 2.953 346 HG22 ILE 47 HG22 ILE 47 -0.353 1.785 3.512 347 HG23 ILE 47 HG23 ILE 47 -0.211 2.875 2.137 348 HD11 ILE 47 HD11 ILE 47 -0.368 6.562 1.746 349 HD12 ILE 47 HD12 ILE 47 -0.203 4.849 1.361 350 HD13 ILE 47 HD13 ILE 47 1.062 5.677 2.276 351 H ASP 48 HN ASP 48 1.165 2.644 6.184 352 HA ASP 48 HA ASP 48 0.962 -0.061 5.837 353 HB2 ASP 48 HB2 ASP 48 3.024 1.181 6.422 354 HB3 ASP 48 HB1 ASP 48 2.405 1.498 8.032 355 H LYS 49 HN LYS 49 0.239 1.733 8.801 356 HA LYS 49 HA LYS 49 -0.648 -0.507 10.346 357 HB2 LYS 49 HB2 LYS 49 -0.895 2.488 10.845 358 HB3 LYS 49 HB1 LYS 49 -1.174 1.233 12.055 359 HG2 LYS 49 HG2 LYS 49 1.134 0.593 12.071 360 HG3 LYS 49 HG1 LYS 49 1.481 1.526 10.611 361 HD2 LYS 49 HD2 LYS 49 1.016 3.627 11.887 362 HD3 LYS 49 HD1 LYS 49 0.773 2.662 13.345 363 HE2 LYS 49 HE2 LYS 49 3.360 2.792 11.748 364 HE3 LYS 49 HE1 LYS 49 3.037 3.683 13.233 365 HZ1 LYS 49 HZ1 LYS 49 4.311 1.696 13.663 366 HZ2 LYS 49 HZ2 LYS 49 3.111 0.728 12.977 367 HZ3 LYS 49 HZ3 LYS 49 2.799 1.587 14.402 368 H ALA 50 HN ALA 50 -2.321 2.128 8.582 369 HA ALA 50 HA ALA 50 -4.950 1.705 9.434 370 HB1 ALA 50 HB1 ALA 50 -4.277 3.693 8.129 371 HB2 ALA 50 HB2 ALA 50 -5.666 2.890 7.393 372 HB3 ALA 50 HB3 ALA 50 -4.054 2.683 6.698 373 H PHE 51 HN PHE 51 -3.273 0.341 6.638 374 HA PHE 51 HA PHE 51 -5.463 -1.439 5.938 375 HB2 PHE 51 HB2 PHE 51 -2.726 -0.967 4.683 376 HB3 PHE 51 HB1 PHE 51 -3.897 -2.121 4.053 377 HD1 PHE 51 HD2 PHE 51 -3.167 1.478 4.521 378 HD2 PHE 51 HD1 PHE 51 -5.894 -1.373 2.868 379 HE1 PHE 51 HE2 PHE 51 -4.232 3.267 3.188 380 HE2 PHE 51 HE1 PHE 51 -6.961 0.421 1.561 381 HZ PHE 51 HZ PHE 51 -6.132 2.727 1.721 382 H GLY 52 HN GLY 52 -2.970 -1.597 8.174 383 HA2 GLY 52 HA2 GLY 52 -2.219 -3.275 9.535 384 HA3 GLY 52 HA1 GLY 52 -3.494 -4.286 8.874 385 H ILE 53 HN ILE 53 -1.227 -2.965 6.641 386 HA ILE 53 HA ILE 53 -0.031 -5.644 6.203 387 HB ILE 53 HB ILE 53 0.485 -4.827 3.893 388 HG12 ILE 53 HG12 ILE 53 -1.286 -2.413 4.545 389 HG13 ILE 53 HG11 ILE 53 0.469 -2.327 4.513 390 HG21 ILE 53 HG21 ILE 53 -2.468 -4.697 4.623 391 HG22 ILE 53 HG22 ILE 53 -1.544 -6.160 4.272 392 HG23 ILE 53 HG23 ILE 53 -1.819 -4.967 3.001 393 HD11 ILE 53 HD11 ILE 53 -1.312 -3.021 2.185 394 HD12 ILE 53 HD12 ILE 53 0.453 -2.928 2.144 395 HD13 ILE 53 HD13 ILE 53 -0.500 -1.482 2.468 396 H LYS 54 HN LYS 54 2.232 -5.470 5.194 397 HA LYS 54 HA LYS 54 3.839 -3.371 6.529 398 HB2 LYS 54 HB2 LYS 54 4.434 -5.575 7.388 399 HB3 LYS 54 HB1 LYS 54 4.569 -6.236 5.769 400 HG2 LYS 54 HG2 LYS 54 6.780 -5.860 6.796 401 HG3 LYS 54 HG1 LYS 54 6.564 -4.894 5.332 402 HD2 LYS 54 HD2 LYS 54 6.064 -2.899 6.721 403 HD3 LYS 54 HD1 LYS 54 6.281 -3.862 8.188 404 HE2 LYS 54 HE2 LYS 54 8.649 -4.231 7.592 405 HE3 LYS 54 HE1 LYS 54 8.425 -3.300 6.107 406 HZ1 LYS 54 HZ1 LYS 54 7.882 -1.371 7.451 407 HZ2 LYS 54 HZ2 LYS 54 9.416 -1.963 7.830 408 HZ3 LYS 54 HZ3 LYS 54 8.119 -2.262 8.869 409 H LEU 55 HN LEU 55 3.968 -1.766 4.947 410 HA LEU 55 HA LEU 55 4.494 -2.296 2.202 411 HB2 LEU 55 HB2 LEU 55 4.902 0.215 3.884 412 HB3 LEU 55 HB1 LEU 55 5.102 0.151 2.136 413 HG LEU 55 HG LEU 55 2.473 -0.291 3.629 414 HD11 LEU 55 HD11 LEU 55 1.801 1.863 2.634 415 HD12 LEU 55 HD12 LEU 55 3.424 2.073 1.977 416 HD13 LEU 55 HD13 LEU 55 3.172 2.041 3.725 417 HD21 LEU 55 HD21 LEU 55 3.002 -0.185 0.631 418 HD22 LEU 55 HD22 LEU 55 1.414 -0.283 1.398 419 HD23 LEU 55 HD23 LEU 55 2.548 -1.621 1.556 420 HA PRO 56 HA PRO 56 9.001 -2.799 2.951 421 HB2 PRO 56 HB2 PRO 56 9.675 -3.753 0.510 422 HB3 PRO 56 HB1 PRO 56 8.888 -4.776 1.722 423 HG2 PRO 56 HG2 PRO 56 7.674 -3.373 -0.653 424 HG3 PRO 56 HG1 PRO 56 7.390 -5.025 -0.065 425 HD2 PRO 56 HD2 PRO 56 5.714 -2.900 0.484 426 HD3 PRO 56 HD1 PRO 56 5.869 -4.320 1.538 427 H LEU 57 HN LEU 57 8.383 -0.362 3.006 428 HA LEU 57 HA LEU 57 8.471 1.266 0.695 429 HB2 LEU 57 HB2 LEU 57 7.476 1.677 3.136 430 HB3 LEU 57 HB1 LEU 57 9.063 2.313 3.486 431 HG LEU 57 HG LEU 57 7.465 4.112 3.019 432 HD11 LEU 57 HD11 LEU 57 9.482 3.955 0.777 433 HD12 LEU 57 HD12 LEU 57 9.771 4.564 2.405 434 HD13 LEU 57 HD13 LEU 57 8.653 5.411 1.342 435 HD21 LEU 57 HD21 LEU 57 5.929 2.862 1.582 436 HD22 LEU 57 HD22 LEU 57 7.108 2.908 0.266 437 HD23 LEU 57 HD23 LEU 57 6.384 4.405 0.862 438 H GLU 58 HN GLU 58 10.850 0.420 3.203 439 HA GLU 58 HA GLU 58 12.948 2.136 2.312 440 HB2 GLU 58 HB2 GLU 58 13.050 -0.358 4.069 441 HB3 GLU 58 HB1 GLU 58 14.388 0.774 3.855 442 HG2 GLU 58 HG2 GLU 58 13.031 2.562 4.869 443 HG3 GLU 58 HG1 GLU 58 11.680 1.440 5.061 444 H LYS 59 HN LYS 59 12.051 -1.220 1.555 445 HA LYS 59 HA LYS 59 14.327 -1.894 0.010 446 HB2 LYS 59 HB2 LYS 59 12.627 -3.548 0.813 447 HB3 LYS 59 HB1 LYS 59 11.465 -2.891 -0.334 448 HG2 LYS 59 HG2 LYS 59 12.848 -3.628 -2.219 449 HG3 LYS 59 HG1 LYS 59 14.109 -4.170 -1.114 450 HD2 LYS 59 HD2 LYS 59 12.880 -6.106 -1.876 451 HD3 LYS 59 HD1 LYS 59 12.527 -5.853 -0.164 452 HE2 LYS 59 HE2 LYS 59 10.375 -4.776 -0.786 453 HE3 LYS 59 HE1 LYS 59 10.722 -5.065 -2.485 454 HZ1 LYS 59 HZ1 LYS 59 10.385 -7.148 -0.415 455 HZ2 LYS 59 HZ2 LYS 59 10.706 -7.432 -2.050 456 HZ3 LYS 59 HZ3 LYS 59 9.242 -6.714 -1.582 457 H TRP 60 HN TRP 60 11.169 -0.522 -0.876 458 HA TRP 60 HA TRP 60 11.575 -0.109 -3.629 459 HB2 TRP 60 HB2 TRP 60 9.853 1.462 -1.661 460 HB3 TRP 60 HB1 TRP 60 9.762 1.630 -3.412 461 HD1 TRP 60 HD1 TRP 60 9.970 -1.716 -3.812 462 HE1 TRP 60 HE1 TRP 60 7.774 -3.001 -3.497 463 HE3 TRP 60 HE3 TRP 60 7.384 1.749 -1.083 464 HZ2 TRP 60 HZ2 TRP 60 5.273 -2.609 -2.266 465 HZ3 TRP 60 HZ3 TRP 60 5.084 1.215 -0.378 466 HH2 TRP 60 HH2 TRP 60 4.051 -0.919 -0.968 467 H THR 61 HN THR 61 12.462 1.797 -0.817 468 HA THR 61 HA THR 61 13.217 4.211 -2.098 469 HB THR 61 HB THR 61 14.012 3.051 0.610 470 HG1 THR 61 HG1 THR 61 11.710 3.779 -0.064 471 HG21 THR 61 HG21 THR 61 14.621 5.363 1.266 472 HG22 THR 61 HG22 THR 61 14.370 5.897 -0.398 473 HG23 THR 61 HG23 THR 61 15.664 4.757 -0.024 474 H GLN 62 HN GLN 62 15.006 1.204 -1.314 475 HA GLN 62 HA GLN 62 17.622 2.155 -1.924 476 HB2 GLN 62 HB2 GLN 62 16.479 -0.675 -1.923 477 HB3 GLN 62 HB1 GLN 62 18.191 -0.301 -2.110 478 HG2 GLN 62 HG2 GLN 62 16.484 0.265 0.325 479 HG3 GLN 62 HG1 GLN 62 17.682 -1.016 0.168 480 HE21 GLN 62 HE21 GLN 62 19.920 -0.427 0.065 481 HE22 GLN 62 HE22 GLN 62 20.463 1.074 0.726 482 H GLU 63 HN GLU 63 15.064 0.546 -3.757 483 HA GLU 63 HA GLU 63 16.464 0.063 -6.176 484 HB2 GLU 63 HB2 GLU 63 13.479 0.440 -5.678 485 HB3 GLU 63 HB1 GLU 63 14.182 -0.234 -7.149 486 HG2 GLU 63 HG2 GLU 63 15.063 -2.135 -5.889 487 HG3 GLU 63 HG1 GLU 63 14.434 -1.455 -4.387 488 H VAL 64 HN VAL 64 14.315 2.716 -5.172 489 HA VAL 64 HA VAL 64 14.345 4.233 -7.546 490 HB VAL 64 HB VAL 64 13.812 5.013 -4.651 491 HG11 VAL 64 HG11 VAL 64 13.494 6.812 -7.089 492 HG12 VAL 64 HG12 VAL 64 14.645 7.043 -5.771 493 HG13 VAL 64 HG13 VAL 64 12.917 7.179 -5.462 494 HG21 VAL 64 HG21 VAL 64 12.138 3.538 -5.716 495 HG22 VAL 64 HG22 VAL 64 11.949 4.691 -7.040 496 HG23 VAL 64 HG23 VAL 64 11.457 5.135 -5.404 497 H ASN 65 HN ASN 65 16.191 4.839 -4.517 498 HA ASN 65 HA ASN 65 17.832 6.871 -5.436 499 HB2 ASN 65 HB2 ASN 65 18.485 4.815 -3.285 500 HB3 ASN 65 HB1 ASN 65 19.300 6.367 -3.491 501 HD21 ASN 65 HD21 ASN 65 17.912 5.444 -1.165 502 HD22 ASN 65 HD22 ASN 65 16.631 6.560 -0.862 503 H ASP 66 HN ASP 66 18.251 3.412 -5.876 504 HA ASP 66 HA ASP 66 21.028 3.601 -6.746 505 HB2 ASP 66 HB2 ASP 66 19.907 1.557 -5.613 506 HB3 ASP 66 HB1 ASP 66 19.143 1.231 -7.163 507 H GLY 67 HN GLY 67 17.848 3.646 -8.172 508 HA2 GLY 67 HA2 GLY 67 17.358 4.670 -10.263 509 HA3 GLY 67 HA1 GLY 67 18.965 4.263 -10.850 510 H LYS 68 HN LYS 68 17.791 1.649 -9.154 511 HA LYS 68 HA LYS 68 17.451 -0.051 -11.398 512 HB2 LYS 68 HB2 LYS 68 16.744 -0.432 -8.462 513 HB3 LYS 68 HB1 LYS 68 16.631 -1.719 -9.655 514 HG2 LYS 68 HG2 LYS 68 19.265 -0.315 -9.264 515 HG3 LYS 68 HG1 LYS 68 18.722 -1.480 -8.066 516 HD2 LYS 68 HD2 LYS 68 20.177 -2.643 -9.566 517 HD3 LYS 68 HD1 LYS 68 18.541 -3.202 -9.899 518 HE2 LYS 68 HE2 LYS 68 19.759 -1.004 -11.575 519 HE3 LYS 68 HE1 LYS 68 20.189 -2.684 -11.878 520 HZ1 LYS 68 HZ1 LYS 68 18.365 -1.850 -13.265 521 HZ2 LYS 68 HZ2 LYS 68 17.404 -1.659 -11.893 522 HZ3 LYS 68 HZ3 LYS 68 17.927 -3.198 -12.350 523 H ALA 69 HN ALA 69 15.238 1.830 -9.475 524 HA ALA 69 HA ALA 69 12.928 0.947 -11.098 525 HB1 ALA 69 HB1 ALA 69 11.528 1.030 -9.072 526 HB2 ALA 69 HB2 ALA 69 12.947 1.427 -8.098 527 HB3 ALA 69 HB3 ALA 69 12.833 -0.144 -8.887 528 H THR 70 HN THR 70 11.710 2.599 -11.837 529 HA THR 70 HA THR 70 12.551 5.271 -11.743 530 HB THR 70 HB THR 70 9.796 4.212 -12.543 531 HG1 THR 70 HG1 THR 70 12.314 3.985 -13.778 532 HG21 THR 70 HG21 THR 70 9.770 6.070 -14.153 533 HG22 THR 70 HG22 THR 70 11.366 6.595 -13.604 534 HG23 THR 70 HG23 THR 70 9.979 6.696 -12.514 535 H THR 71 HN THR 71 11.584 7.106 -10.754 536 HA THR 71 HA THR 71 10.845 6.825 -8.047 537 HB THR 71 HB THR 71 10.388 9.320 -8.181 538 HG1 THR 71 HG1 THR 71 11.364 9.971 -10.489 539 HG21 THR 71 HG21 THR 71 12.668 8.517 -7.678 540 HG22 THR 71 HG22 THR 71 12.731 9.982 -8.659 541 HG23 THR 71 HG23 THR 71 13.024 8.408 -9.403 542 H GLU 72 HN GLU 72 8.878 8.157 -10.772 543 HA GLU 72 HA GLU 72 6.417 8.354 -9.636 544 HB2 GLU 72 HB2 GLU 72 5.454 8.237 -11.890 545 HB3 GLU 72 HB1 GLU 72 6.952 9.155 -11.900 546 HG2 GLU 72 HG2 GLU 72 8.153 7.255 -12.844 547 HG3 GLU 72 HG1 GLU 72 6.708 6.260 -12.763 548 H GLN 73 HN GLN 73 7.845 5.403 -10.821 549 HA GLN 73 HA GLN 73 5.727 3.632 -10.957 550 HB2 GLN 73 HB2 GLN 73 7.970 3.014 -11.667 551 HB3 GLN 73 HB1 GLN 73 8.578 3.135 -10.018 552 HG2 GLN 73 HG2 GLN 73 7.191 1.200 -9.373 553 HG3 GLN 73 HG1 GLN 73 6.577 1.092 -11.019 554 HE21 GLN 73 HE21 GLN 73 9.939 1.798 -10.215 555 HE22 GLN 73 HE22 GLN 73 10.571 0.300 -10.796 556 H TYR 74 HN TYR 74 7.417 4.789 -8.088 557 HA TYR 74 HA TYR 74 5.712 3.143 -6.316 558 HB2 TYR 74 HB2 TYR 74 8.490 4.293 -5.835 559 HB3 TYR 74 HB1 TYR 74 7.532 3.484 -4.601 560 HD1 TYR 74 HD2 TYR 74 6.410 1.215 -6.370 561 HD2 TYR 74 HD1 TYR 74 10.362 2.766 -5.894 562 HE1 TYR 74 HE2 TYR 74 7.339 -0.963 -6.993 563 HE2 TYR 74 HE1 TYR 74 11.284 0.570 -6.506 564 HH TYR 74 HH TYR 74 10.602 -1.782 -6.503 565 H PHE 75 HN PHE 75 6.477 6.470 -7.165 566 HA PHE 75 HA PHE 75 5.399 7.449 -4.586 567 HB2 PHE 75 HB2 PHE 75 7.178 8.815 -6.634 568 HB3 PHE 75 HB1 PHE 75 6.486 9.641 -5.243 569 HD1 PHE 75 HD2 PHE 75 6.859 7.919 -2.983 570 HD2 PHE 75 HD1 PHE 75 9.483 8.525 -6.307 571 HE1 PHE 75 HE2 PHE 75 8.785 7.283 -1.589 572 HE2 PHE 75 HE1 PHE 75 11.398 7.905 -4.901 573 HZ PHE 75 HZ PHE 75 11.056 7.265 -2.545 574 H VAL 76 HN VAL 76 4.132 6.891 -7.606 575 HA VAL 76 HA VAL 76 2.534 9.380 -7.697 576 HB VAL 76 HB VAL 76 2.757 7.043 -9.631 577 HG11 VAL 76 HG11 VAL 76 0.342 7.420 -9.465 578 HG12 VAL 76 HG12 VAL 76 0.932 8.046 -11.008 579 HG13 VAL 76 HG13 VAL 76 0.573 9.157 -9.684 580 HG21 VAL 76 HG21 VAL 76 3.034 10.051 -10.008 581 HG22 VAL 76 HG22 VAL 76 3.270 8.832 -11.265 582 HG23 VAL 76 HG23 VAL 76 4.364 8.896 -9.881 583 H LEU 77 HN LEU 77 0.498 9.429 -6.891 584 HA LEU 77 HA LEU 77 0.085 7.850 -4.653 585 HB2 LEU 77 HB2 LEU 77 -1.951 9.652 -5.992 586 HB3 LEU 77 HB1 LEU 77 -1.950 9.144 -4.304 587 HG LEU 77 HG LEU 77 0.120 10.942 -5.632 588 HD11 LEU 77 HD11 LEU 77 -1.970 11.627 -3.560 589 HD12 LEU 77 HD12 LEU 77 -2.033 12.038 -5.276 590 HD13 LEU 77 HD13 LEU 77 -0.770 12.718 -4.257 591 HD21 LEU 77 HD21 LEU 77 1.215 9.577 -3.925 592 HD22 LEU 77 HD22 LEU 77 -0.015 10.022 -2.739 593 HD23 LEU 77 HD23 LEU 77 1.083 11.248 -3.377 594 H LYS 78 HN LYS 78 -1.460 7.510 -7.837 595 HA LYS 78 HA LYS 78 -3.391 5.534 -6.959 596 HB2 LYS 78 HB2 LYS 78 -3.927 5.227 -9.329 597 HB3 LYS 78 HB1 LYS 78 -3.825 6.942 -8.960 598 HG2 LYS 78 HG2 LYS 78 -1.567 7.031 -9.944 599 HG3 LYS 78 HG1 LYS 78 -1.665 5.309 -10.322 600 HD2 LYS 78 HD2 LYS 78 -3.651 5.810 -11.785 601 HD3 LYS 78 HD1 LYS 78 -3.396 7.533 -11.468 602 HE2 LYS 78 HE2 LYS 78 -2.402 6.892 -13.616 603 HE3 LYS 78 HE1 LYS 78 -1.140 7.371 -12.482 604 HZ1 LYS 78 HZ1 LYS 78 -0.540 5.375 -13.708 605 HZ2 LYS 78 HZ2 LYS 78 -1.909 4.570 -13.132 606 HZ3 LYS 78 HZ3 LYS 78 -0.688 5.031 -12.058 607 H ASN 79 HN ASN 79 -0.139 5.491 -8.326 608 HA ASN 79 HA ASN 79 0.138 2.664 -8.695 609 HB2 ASN 79 HB2 ASN 79 2.265 4.820 -8.280 610 HB3 ASN 79 HB1 ASN 79 2.631 3.143 -8.674 611 HD21 ASN 79 HD21 ASN 79 3.680 3.758 -10.546 612 HD22 ASN 79 HD22 ASN 79 2.848 4.329 -11.948 613 H LEU 80 HN LEU 80 0.859 4.910 -6.069 614 HA LEU 80 HA LEU 80 2.007 3.204 -4.183 615 HB2 LEU 80 HB2 LEU 80 2.102 5.630 -3.935 616 HB3 LEU 80 HB1 LEU 80 0.352 5.743 -3.873 617 HG LEU 80 HG LEU 80 0.352 4.616 -1.655 618 HD11 LEU 80 HD11 LEU 80 2.359 3.233 -1.855 619 HD12 LEU 80 HD12 LEU 80 2.435 4.237 -0.409 620 HD13 LEU 80 HD13 LEU 80 3.381 4.675 -1.835 621 HD21 LEU 80 HD21 LEU 80 1.308 6.477 -0.346 622 HD22 LEU 80 HD22 LEU 80 0.398 7.063 -1.737 623 HD23 LEU 80 HD23 LEU 80 2.164 7.054 -1.781 624 H ALA 81 HN ALA 81 -1.355 4.185 -4.796 625 HA ALA 81 HA ALA 81 -2.614 2.670 -2.759 626 HB1 ALA 81 HB1 ALA 81 -3.768 3.716 -5.365 627 HB2 ALA 81 HB2 ALA 81 -3.683 4.608 -3.846 628 HB3 ALA 81 HB3 ALA 81 -4.704 3.171 -3.966 629 H ALA 82 HN ALA 82 -1.463 1.873 -5.960 630 HA ALA 82 HA ALA 82 -2.991 -0.501 -6.364 631 HB1 ALA 82 HB1 ALA 82 -1.470 -0.934 -8.231 632 HB2 ALA 82 HB2 ALA 82 -0.400 0.360 -7.679 633 HB3 ALA 82 HB3 ALA 82 -2.026 0.743 -8.247 634 H ARG 83 HN ARG 83 0.431 0.083 -5.309 635 HA ARG 83 HA ARG 83 1.068 -2.642 -4.855 636 HB2 ARG 83 HB2 ARG 83 2.269 -0.146 -3.620 637 HB3 ARG 83 HB1 ARG 83 2.803 -1.745 -3.148 638 HG2 ARG 83 HG2 ARG 83 4.401 -1.308 -4.709 639 HG3 ARG 83 HG1 ARG 83 3.197 -2.046 -5.765 640 HD2 ARG 83 HD2 ARG 83 4.238 0.069 -6.662 641 HD3 ARG 83 HD1 ARG 83 2.478 0.110 -6.567 642 HE ARG 83 HE ARG 83 2.690 1.918 -5.240 643 HH11 ARG 83 HH11 ARG 83 5.625 0.086 -4.752 644 HH12 ARG 83 HH12 ARG 83 6.274 1.209 -3.608 645 HH21 ARG 83 HH21 ARG 83 3.570 3.365 -3.714 646 HH22 ARG 83 HH22 ARG 83 5.120 3.043 -3.023 647 H ILE 84 HN ILE 84 -0.388 -0.187 -2.784 648 HA ILE 84 HA ILE 84 -0.300 -1.520 -0.292 649 HB ILE 84 HB ILE 84 -2.358 0.469 -1.360 650 HG12 ILE 84 HG12 ILE 84 -0.040 1.064 0.532 651 HG13 ILE 84 HG11 ILE 84 0.105 1.216 -1.215 652 HG21 ILE 84 HG21 ILE 84 -2.955 0.923 1.004 653 HG22 ILE 84 HG22 ILE 84 -1.879 -0.374 1.525 654 HG23 ILE 84 HG23 ILE 84 -3.303 -0.749 0.555 655 HD11 ILE 84 HD11 ILE 84 -1.847 2.736 0.506 656 HD12 ILE 84 HD12 ILE 84 -1.634 2.914 -1.237 657 HD13 ILE 84 HD13 ILE 84 -0.330 3.357 -0.139 658 H ASP 85 HN ASP 85 -2.799 -1.383 -2.814 659 HA ASP 85 HA ASP 85 -4.693 -3.105 -1.620 660 HB2 ASP 85 HB2 ASP 85 -5.102 -1.404 -3.459 661 HB3 ASP 85 HB1 ASP 85 -4.338 -2.514 -4.589 662 H GLU 86 HN GLU 86 -2.077 -3.697 -3.956 663 HA GLU 86 HA GLU 86 -2.532 -6.443 -4.461 664 HB2 GLU 86 HB2 GLU 86 0.003 -4.764 -4.606 665 HB3 GLU 86 HB1 GLU 86 -0.049 -6.451 -5.095 666 HG2 GLU 86 HG2 GLU 86 -1.712 -4.236 -6.331 667 HG3 GLU 86 HG1 GLU 86 -0.202 -4.852 -6.994 668 H LEU 87 HN LEU 87 -0.893 -4.770 -1.829 669 HA LEU 87 HA LEU 87 0.219 -7.211 -0.694 670 HB2 LEU 87 HB2 LEU 87 0.240 -4.334 0.271 671 HB3 LEU 87 HB1 LEU 87 1.032 -5.660 1.111 672 HG LEU 87 HG LEU 87 1.725 -4.674 -1.687 673 HD11 LEU 87 HD11 LEU 87 2.436 -3.098 0.036 674 HD12 LEU 87 HD12 LEU 87 3.822 -3.879 -0.721 675 HD13 LEU 87 HD13 LEU 87 3.295 -4.388 0.888 676 HD21 LEU 87 HD21 LEU 87 3.626 -6.241 -1.610 677 HD22 LEU 87 HD22 LEU 87 2.084 -7.087 -1.525 678 HD23 LEU 87 HD23 LEU 87 3.050 -6.873 -0.062 679 H VAL 88 HN VAL 88 -2.647 -5.258 -0.306 680 HA VAL 88 HA VAL 88 -3.638 -6.399 2.128 681 HB VAL 88 HB VAL 88 -5.084 -5.212 -0.303 682 HG11 VAL 88 HG11 VAL 88 -6.385 -6.063 2.323 683 HG12 VAL 88 HG12 VAL 88 -6.621 -6.838 0.756 684 HG13 VAL 88 HG13 VAL 88 -7.185 -5.187 1.013 685 HG21 VAL 88 HG21 VAL 88 -3.794 -3.587 1.049 686 HG22 VAL 88 HG22 VAL 88 -4.671 -4.082 2.496 687 HG23 VAL 88 HG23 VAL 88 -5.527 -3.274 1.179 688 H ALA 89 HN ALA 89 -3.802 -7.287 -1.311 689 HA ALA 89 HA ALA 89 -5.331 -9.660 -1.039 690 HB1 ALA 89 HB1 ALA 89 -4.601 -10.153 -3.340 691 HB2 ALA 89 HB2 ALA 89 -3.400 -8.858 -3.243 692 HB3 ALA 89 HB3 ALA 89 -5.120 -8.474 -3.183 693 H ALA 90 HN ALA 90 -1.823 -9.042 -1.251 694 HA ALA 90 HA ALA 90 -0.920 -11.686 -1.292 695 HB1 ALA 90 HB1 ALA 90 1.272 -10.773 -0.676 696 HB2 ALA 90 HB2 ALA 90 0.514 -9.249 -0.198 697 HB3 ALA 90 HB3 ALA 90 0.480 -9.757 -1.886 698 H LYS 91 HN LYS 91 -1.953 -9.683 1.406 699 HA LYS 91 HA LYS 91 -0.928 -11.465 3.461 700 HB2 LYS 91 HB2 LYS 91 -1.066 -9.012 3.810 701 HB3 LYS 91 HB1 LYS 91 -2.821 -9.080 3.650 702 HG2 LYS 91 HG2 LYS 91 -2.906 -10.536 5.682 703 HG3 LYS 91 HG1 LYS 91 -1.158 -10.365 5.850 704 HD2 LYS 91 HD2 LYS 91 -2.273 -8.839 7.382 705 HD3 LYS 91 HD1 LYS 91 -1.455 -7.903 6.126 706 HE2 LYS 91 HE2 LYS 91 -3.610 -7.604 4.948 707 HE3 LYS 91 HE1 LYS 91 -4.428 -8.573 6.176 708 HZ1 LYS 91 HZ1 LYS 91 -3.030 -6.007 6.661 709 HZ2 LYS 91 HZ2 LYS 91 -3.879 -6.913 7.808 710 HZ3 LYS 91 HZ3 LYS 91 -4.704 -6.201 6.510 711 H GLY 92 HN GLY 92 -4.086 -10.894 1.855 712 HA2 GLY 92 HA2 GLY 92 -5.433 -12.628 3.877 713 HA3 GLY 92 HA1 GLY 92 -6.172 -11.212 3.162 714 H ALA 93 HN ALA 93 -5.407 -11.687 0.452 715 HA ALA 93 HA ALA 93 -7.743 -13.332 -0.162 716 HB1 ALA 93 HB1 ALA 93 -6.107 -11.538 -1.984 717 HB2 ALA 93 HB2 ALA 93 -7.547 -11.050 -1.088 718 HB3 ALA 93 HB3 ALA 93 -7.672 -12.264 -2.366 719 H LEU 94 HN LEU 94 -4.295 -13.257 -1.035 720 HA LEU 94 HA LEU 94 -4.476 -15.213 -3.108 721 HB2 LEU 94 HB2 LEU 94 -2.010 -14.189 -1.648 722 HB3 LEU 94 HB1 LEU 94 -1.995 -15.156 -3.117 723 HG LEU 94 HG LEU 94 -2.991 -12.292 -2.830 724 HD11 LEU 94 HD11 LEU 94 -0.552 -12.503 -2.911 725 HD12 LEU 94 HD12 LEU 94 -1.172 -11.738 -4.369 726 HD13 LEU 94 HD13 LEU 94 -0.662 -13.427 -4.412 727 HD21 LEU 94 HD21 LEU 94 -3.087 -14.050 -5.312 728 HD22 LEU 94 HD22 LEU 94 -3.448 -12.321 -5.251 729 HD23 LEU 94 HD23 LEU 94 -4.472 -13.462 -4.389 730 H GLU 95 HN GLU 95 -5.381 -17.084 -2.307 731 HA GLU 95 HA GLU 95 -3.524 -18.882 -0.940 732 HB2 GLU 95 HB2 GLU 95 -5.395 -19.766 0.539 733 HB3 GLU 95 HB1 GLU 95 -4.804 -18.172 0.955 734 HG2 GLU 95 HG2 GLU 95 -7.155 -18.076 1.229 735 HG3 GLU 95 HG1 GLU 95 -6.801 -17.193 -0.257 736 H HIS 96 HN HIS 96 -4.845 -18.359 -3.668 737 HA HIS 96 HA HIS 96 -6.499 -20.581 -4.308 738 HB2 HIS 96 HB2 HIS 96 -4.734 -18.875 -6.117 739 HB3 HIS 96 HB1 HIS 96 -5.837 -20.102 -6.717 740 HD1 HIS 96 HD1 HIS 96 -8.295 -19.500 -6.883 741 HD2 HIS 96 HD2 HIS 96 -6.007 -16.531 -5.092 742 HE1 HIS 96 HE1 HIS 96 -9.751 -17.460 -6.864 743 HE2 HIS 96 HE2 HIS 96 -8.306 -15.638 -5.887 744 H HIS 97 HN HIS 97 -5.758 -22.575 -3.810 745 HA HIS 97 HA HIS 97 -3.070 -23.496 -4.217 746 HB2 HIS 97 HB2 HIS 97 -3.983 -25.757 -3.700 747 HB3 HIS 97 HB1 HIS 97 -4.495 -24.570 -2.514 748 HD1 HIS 97 HD1 HIS 97 -5.781 -27.116 -4.799 749 HD2 HIS 97 HD2 HIS 97 -7.311 -23.785 -2.842 750 HE1 HIS 97 HE1 HIS 97 -8.279 -27.370 -4.884 751 HE2 HIS 97 HE2 HIS 97 -9.179 -25.252 -3.858 752 H HIS 98 HN HIS 98 -2.577 -22.917 -6.300 753 HA HIS 98 HA HIS 98 -3.704 -24.491 -8.507 754 HB2 HIS 98 HB2 HIS 98 -4.986 -22.310 -8.376 755 HB3 HIS 98 HB1 HIS 98 -3.475 -21.443 -8.612 756 HD1 HIS 98 HD1 HIS 98 -2.686 -21.159 -11.008 757 HD2 HIS 98 HD2 HIS 98 -5.873 -23.801 -10.657 758 HE1 HIS 98 HE1 HIS 98 -3.418 -21.645 -13.360 759 HE2 HIS 98 HE2 HIS 98 -5.263 -23.342 -13.124 760 H HIS 99 HN HIS 99 -2.126 -25.148 -9.846 761 HA HIS 99 HA HIS 99 0.633 -24.549 -9.226 762 HB2 HIS 99 HB2 HIS 99 -0.273 -26.851 -9.826 763 HB3 HIS 99 HB1 HIS 99 -0.451 -26.294 -11.486 764 HD1 HIS 99 HD1 HIS 99 1.687 -26.145 -12.902 765 HD2 HIS 99 HD2 HIS 99 2.411 -27.239 -8.961 766 HE1 HIS 99 HE1 HIS 99 4.080 -26.906 -12.843 767 HE2 HIS 99 HE2 HIS 99 4.523 -27.468 -10.432 768 H HIS 100 HN HIS 100 0.866 -22.374 -9.764 769 HA HIS 100 HA HIS 100 0.593 -21.540 -12.599 770 HB2 HIS 100 HB2 HIS 100 -0.585 -20.117 -10.938 771 HB3 HIS 100 HB1 HIS 100 0.913 -19.883 -10.047 772 HD1 HIS 100 HD1 HIS 100 2.747 -18.371 -11.209 773 HD2 HIS 100 HD2 HIS 100 -0.975 -18.350 -13.046 774 HE1 HIS 100 HE1 HIS 100 2.791 -16.422 -12.783 775 HE2 HIS 100 HE2 HIS 100 0.448 -16.285 -13.680 776 H HIS 101 HN HIS 101 2.763 -20.834 -9.843 777 HA HIS 101 HA HIS 101 5.144 -21.727 -11.168 778 HB2 HIS 101 HB2 HIS 101 4.935 -19.530 -12.296 779 HB3 HIS 101 HB1 HIS 101 4.768 -18.724 -10.738 780 HD1 HIS 101 HD1 HIS 101 7.347 -20.903 -12.515 781 HD2 HIS 101 HD2 HIS 101 7.139 -17.749 -9.822 782 HE1 HIS 101 HE1 HIS 101 9.727 -20.259 -12.049 783 HE2 HIS 101 HE2 HIS 101 9.567 -18.520 -10.243 784 H282 PNS 102 H282 PNS 102 16.794 9.644 3.677 785 H281 PNS 102 H281 PNS 102 16.527 9.395 1.958 786 H303 PNS 102 H303 PNS 102 17.553 11.947 0.679 787 H302 PNS 102 H302 PNS 102 19.277 11.565 0.700 788 H301 PNS 102 H301 PNS 102 18.095 10.315 0.291 789 H313 PNS 102 H313 PNS 102 19.234 9.411 3.730 790 H312 PNS 102 H312 PNS 102 19.102 8.842 2.065 791 H311 PNS 102 H311 PNS 102 20.254 10.118 2.470 792 H32 PNS 102 H32 PNS 102 19.432 12.437 3.117 793 H33 PNS 102 H33 PNS 102 16.760 13.134 3.490 794 H36 PNS 102 H36 PNS 102 20.058 10.896 4.899 795 H372 PNS 102 H372 PNS 102 18.331 10.438 7.154 796 H371 PNS 102 H371 PNS 102 20.065 10.122 7.063 797 H382 PNS 102 H382 PNS 102 18.811 12.843 7.534 798 H381 PNS 102 H381 PNS 102 19.470 11.805 8.799 799 H41 PNS 102 H41 PNS 102 20.420 13.303 5.667 800 H422 PNS 102 H422 PNS 102 23.242 13.267 6.160 801 H421 PNS 102 H421 PNS 102 22.399 14.127 4.872 802 H431 PNS 102 H431 PNS 102 22.738 15.095 7.730 803 H432 PNS 102 H432 PNS 102 21.855 15.950 6.454 804 H44 PNS 102 H44 PNS 102 23.885 17.178 5.481 Start of MODEL 14 1 H1 MET 1 HT1 MET 1 -16.180 0.648 -2.913 2 H2 MET 1 HT2 MET 1 -15.087 1.531 -3.847 3 H3 MET 1 HT3 MET 1 -16.726 1.519 -4.256 4 HA MET 1 HA MET 1 -16.107 3.590 -3.202 5 HB2 MET 1 HB2 MET 1 -17.880 1.839 -1.437 6 HB3 MET 1 HB1 MET 1 -17.842 3.599 -1.421 7 HG2 MET 1 HG2 MET 1 -18.640 3.579 -3.789 8 HG3 MET 1 HG1 MET 1 -18.793 1.825 -3.679 9 HE1 MET 1 HE1 MET 1 -20.109 5.294 -2.411 10 HE2 MET 1 HE2 MET 1 -19.590 4.551 -0.896 11 HE3 MET 1 HE3 MET 1 -21.304 4.815 -1.207 12 H THR 2 HN THR 2 -14.756 4.578 -1.818 13 HA THR 2 HA THR 2 -13.132 4.982 -0.325 14 HB THR 2 HB THR 2 -14.286 2.723 1.382 15 HG1 THR 2 HG1 THR 2 -15.180 5.344 0.885 16 HG21 THR 2 HG21 THR 2 -13.395 4.019 3.287 17 HG22 THR 2 HG22 THR 2 -12.709 5.206 2.174 18 HG23 THR 2 HG23 THR 2 -12.097 3.548 2.187 19 H SER 3 HN SER 3 -11.832 4.203 -2.091 20 HA SER 3 HA SER 3 -10.757 1.516 -2.107 21 HB2 SER 3 HB2 SER 3 -9.397 2.381 -4.015 22 HB3 SER 3 HB1 SER 3 -11.110 2.747 -4.219 23 HG SER 3 HG SER 3 -10.625 4.786 -4.226 24 H THR 4 HN THR 4 -8.265 1.340 -2.293 25 HA THR 4 HA THR 4 -6.899 2.148 0.000 26 HB THR 4 HB THR 4 -5.660 1.443 -2.709 27 HG1 THR 4 HG1 THR 4 -5.960 -0.616 -2.151 28 HG21 THR 4 HG21 THR 4 -3.688 0.736 -1.389 29 HG22 THR 4 HG22 THR 4 -4.459 1.314 0.088 30 HG23 THR 4 HG23 THR 4 -4.003 2.460 -1.175 31 H PHE 5 HN PHE 5 -7.108 3.649 -3.222 32 HA PHE 5 HA PHE 5 -5.321 5.791 -2.901 33 HB2 PHE 5 HB2 PHE 5 -6.163 5.329 -5.110 34 HB3 PHE 5 HB1 PHE 5 -7.835 5.510 -4.596 35 HD1 PHE 5 HD1 PHE 5 -4.649 7.473 -5.005 36 HD2 PHE 5 HD2 PHE 5 -8.929 7.621 -4.850 37 HE1 PHE 5 HE1 PHE 5 -4.607 9.855 -5.597 38 HE2 PHE 5 HE2 PHE 5 -8.858 10.003 -5.448 39 HZ PHE 5 HZ PHE 5 -6.698 11.125 -5.820 40 H ASP 6 HN ASP 6 -8.810 5.585 -2.205 41 HA ASP 6 HA ASP 6 -9.261 8.272 -1.520 42 HB2 ASP 6 HB2 ASP 6 -11.083 6.699 -2.042 43 HB3 ASP 6 HB1 ASP 6 -10.729 5.769 -0.588 44 H ARG 7 HN ARG 7 -8.458 5.484 0.486 45 HA ARG 7 HA ARG 7 -8.497 6.748 3.022 46 HB2 ARG 7 HB2 ARG 7 -7.161 4.232 1.995 47 HB3 ARG 7 HB1 ARG 7 -6.939 4.756 3.659 48 HG2 ARG 7 HG2 ARG 7 -9.650 4.212 2.413 49 HG3 ARG 7 HG1 ARG 7 -8.726 3.021 3.328 50 HD2 ARG 7 HD2 ARG 7 -8.820 4.446 5.332 51 HD3 ARG 7 HD1 ARG 7 -9.676 5.690 4.422 52 HE ARG 7 HE ARG 7 -11.616 4.477 4.558 53 HH11 ARG 7 HH11 ARG 7 -9.011 2.458 5.784 54 HH12 ARG 7 HH12 ARG 7 -10.090 1.291 6.469 55 HH21 ARG 7 HH21 ARG 7 -13.003 2.935 5.439 56 HH22 ARG 7 HH22 ARG 7 -12.357 1.553 6.266 57 H VAL 8 HN VAL 8 -5.750 5.975 0.866 58 HA VAL 8 HA VAL 8 -3.684 7.082 2.429 59 HB VAL 8 HB VAL 8 -3.824 6.624 -0.588 60 HG11 VAL 8 HG11 VAL 8 -1.363 7.276 1.099 61 HG12 VAL 8 HG12 VAL 8 -2.069 8.307 -0.149 62 HG13 VAL 8 HG13 VAL 8 -1.330 6.767 -0.592 63 HG21 VAL 8 HG21 VAL 8 -2.514 4.589 -0.112 64 HG22 VAL 8 HG22 VAL 8 -4.030 4.575 0.793 65 HG23 VAL 8 HG23 VAL 8 -2.517 4.974 1.613 66 H ALA 9 HN ALA 9 -5.735 8.530 -0.064 67 HA ALA 9 HA ALA 9 -4.519 11.017 -0.393 68 HB1 ALA 9 HB1 ALA 9 -7.452 10.239 -0.626 69 HB2 ALA 9 HB2 ALA 9 -6.240 10.134 -1.909 70 HB3 ALA 9 HB3 ALA 9 -6.733 11.714 -1.287 71 H THR 10 HN THR 10 -7.178 10.028 1.766 72 HA THR 10 HA THR 10 -7.517 12.426 3.195 73 HB THR 10 HB THR 10 -7.959 9.606 4.288 74 HG1 THR 10 HG1 THR 10 -9.389 9.447 2.774 75 HG21 THR 10 HG21 THR 10 -9.760 10.650 5.629 76 HG22 THR 10 HG22 THR 10 -9.375 12.230 4.946 77 HG23 THR 10 HG23 THR 10 -8.208 11.418 5.992 78 H ILE 11 HN ILE 11 -5.392 9.643 3.753 79 HA ILE 11 HA ILE 11 -4.279 10.366 6.223 80 HB ILE 11 HB ILE 11 -3.281 8.586 3.963 81 HG12 ILE 11 HG12 ILE 11 -4.266 7.926 6.781 82 HG13 ILE 11 HG11 ILE 11 -5.253 7.842 5.329 83 HG21 ILE 11 HG21 ILE 11 -1.856 9.015 6.613 84 HG22 ILE 11 HG22 ILE 11 -1.241 9.414 5.005 85 HG23 ILE 11 HG23 ILE 11 -1.490 7.728 5.465 86 HD11 ILE 11 HD11 ILE 11 -4.532 5.642 6.029 87 HD12 ILE 11 HD12 ILE 11 -2.840 6.134 5.944 88 HD13 ILE 11 HD13 ILE 11 -3.812 6.046 4.470 89 H ILE 12 HN ILE 12 -3.313 11.236 2.903 90 HA ILE 12 HA ILE 12 -0.840 12.487 3.593 91 HB ILE 12 HB ILE 12 -2.591 12.528 1.100 92 HG12 ILE 12 HG12 ILE 12 0.135 11.289 1.686 93 HG13 ILE 12 HG11 ILE 12 -1.385 10.416 1.568 94 HG21 ILE 12 HG21 ILE 12 -1.493 14.716 1.128 95 HG22 ILE 12 HG22 ILE 12 -0.764 13.700 -0.117 96 HG23 ILE 12 HG23 ILE 12 0.073 13.955 1.416 97 HD11 ILE 12 HD11 ILE 12 0.038 11.839 -0.673 98 HD12 ILE 12 HD12 ILE 12 -1.509 10.999 -0.817 99 HD13 ILE 12 HD13 ILE 12 -0.047 10.098 -0.407 100 H ALA 13 HN ALA 13 -4.104 13.690 2.862 101 HA ALA 13 HA ALA 13 -3.732 16.418 3.154 102 HB1 ALA 13 HB1 ALA 13 -6.209 14.805 3.856 103 HB2 ALA 13 HB2 ALA 13 -5.773 15.381 2.246 104 HB3 ALA 13 HB3 ALA 13 -6.160 16.540 3.517 105 H GLU 14 HN GLU 14 -4.427 14.008 5.677 106 HA GLU 14 HA GLU 14 -4.624 16.001 7.790 107 HB2 GLU 14 HB2 GLU 14 -4.703 12.960 7.939 108 HB3 GLU 14 HB1 GLU 14 -5.064 14.057 9.272 109 HG2 GLU 14 HG2 GLU 14 -6.639 13.736 6.697 110 HG3 GLU 14 HG1 GLU 14 -7.123 13.204 8.304 111 H THR 15 HN THR 15 -2.125 13.756 6.647 112 HA THR 15 HA THR 15 -0.566 13.902 9.095 113 HB THR 15 HB THR 15 0.101 12.630 6.403 114 HG1 THR 15 HG1 THR 15 -1.075 11.071 7.171 115 HG21 THR 15 HG21 THR 15 1.596 12.397 9.042 116 HG22 THR 15 HG22 THR 15 2.199 13.172 7.576 117 HG23 THR 15 HG23 THR 15 1.914 11.431 7.599 118 H CYS 16 HN CYS 16 -0.162 15.100 5.716 119 HA CYS 16 HA CYS 16 2.251 16.603 6.530 120 HB2 CYS 16 HB2 CYS 16 1.289 15.677 3.789 121 HB3 CYS 16 HB1 CYS 16 2.727 16.673 4.054 122 HG CYS 16 HG CYS 16 3.652 14.541 5.936 123 H ASP 17 HN ASP 17 -1.005 17.149 6.110 124 HA ASP 17 HA ASP 17 -2.364 18.911 5.811 125 HB2 ASP 17 HB2 ASP 17 -0.911 19.883 7.598 126 HB3 ASP 17 HB1 ASP 17 0.126 20.581 6.358 127 H ILE 18 HN ILE 18 -1.856 17.794 3.543 128 HA ILE 18 HA ILE 18 -1.333 19.909 1.535 129 HB ILE 18 HB ILE 18 -1.166 16.897 1.438 130 HG12 ILE 18 HG12 ILE 18 0.895 17.300 0.131 131 HG13 ILE 18 HG11 ILE 18 0.552 19.020 0.081 132 HG21 ILE 18 HG21 ILE 18 -2.792 17.283 -0.336 133 HG22 ILE 18 HG22 ILE 18 -1.245 16.810 -1.038 134 HG23 ILE 18 HG23 ILE 18 -1.750 18.506 -1.070 135 HD11 ILE 18 HD11 ILE 18 1.168 17.438 2.552 136 HD12 ILE 18 HD12 ILE 18 0.926 19.184 2.451 137 HD13 ILE 18 HD13 ILE 18 2.303 18.435 1.647 138 HA PRO 19 HA PRO 19 -5.798 20.204 1.070 139 HB2 PRO 19 HB2 PRO 19 -5.948 21.613 -1.271 140 HB3 PRO 19 HB1 PRO 19 -5.462 22.351 0.260 141 HG2 PRO 19 HG2 PRO 19 -3.736 21.403 -2.018 142 HG3 PRO 19 HG1 PRO 19 -3.591 22.878 -1.038 143 HD2 PRO 19 HD2 PRO 19 -2.068 20.626 -0.607 144 HD3 PRO 19 HD1 PRO 19 -2.481 21.765 0.687 145 H ARG 20 HN ARG 20 -7.253 18.793 0.356 146 HA ARG 20 HA ARG 20 -6.712 16.531 -1.152 147 HB2 ARG 20 HB2 ARG 20 -8.535 16.721 0.517 148 HB3 ARG 20 HB1 ARG 20 -9.426 17.781 -0.567 149 HG2 ARG 20 HG2 ARG 20 -10.393 15.561 -0.633 150 HG3 ARG 20 HG1 ARG 20 -9.650 15.913 -2.191 151 HD2 ARG 20 HD2 ARG 20 -7.715 14.515 -1.606 152 HD3 ARG 20 HD1 ARG 20 -8.399 14.207 -0.004 153 HE ARG 20 HE ARG 20 -9.637 13.319 -2.555 154 HH11 ARG 20 HH11 ARG 20 -8.942 12.677 0.849 155 HH12 ARG 20 HH12 ARG 20 -9.725 11.130 0.831 156 HH21 ARG 20 HH21 ARG 20 -10.645 11.304 -2.559 157 HH22 ARG 20 HH22 ARG 20 -10.708 10.354 -1.106 158 H GLU 21 HN GLU 21 -7.749 19.686 -2.297 159 HA GLU 21 HA GLU 21 -8.851 19.021 -4.808 160 HB2 GLU 21 HB2 GLU 21 -8.480 21.419 -5.343 161 HB3 GLU 21 HB1 GLU 21 -9.169 21.203 -3.735 162 HG2 GLU 21 HG2 GLU 21 -6.853 21.454 -2.778 163 HG3 GLU 21 HG1 GLU 21 -6.274 21.847 -4.397 164 H THR 22 HN THR 22 -5.505 19.400 -3.749 165 HA THR 22 HA THR 22 -4.422 19.217 -6.477 166 HB THR 22 HB THR 22 -2.210 19.509 -5.379 167 HG1 THR 22 HG1 THR 22 -3.475 18.667 -3.216 168 HG21 THR 22 HG21 THR 22 -2.515 21.809 -4.536 169 HG22 THR 22 HG22 THR 22 -4.254 21.544 -4.404 170 HG23 THR 22 HG23 THR 22 -3.479 21.544 -5.991 171 H ILE 23 HN ILE 23 -5.543 17.091 -4.218 172 HA ILE 23 HA ILE 23 -3.589 14.941 -4.644 173 HB ILE 23 HB ILE 23 -6.086 15.084 -2.891 174 HG12 ILE 23 HG12 ILE 23 -3.120 14.987 -2.155 175 HG13 ILE 23 HG11 ILE 23 -4.155 16.406 -2.042 176 HG21 ILE 23 HG21 ILE 23 -5.445 12.882 -1.990 177 HG22 ILE 23 HG22 ILE 23 -4.134 12.773 -3.157 178 HG23 ILE 23 HG23 ILE 23 -5.806 12.783 -3.712 179 HD11 ILE 23 HD11 ILE 23 -5.488 15.270 -0.306 180 HD12 ILE 23 HD12 ILE 23 -3.785 15.424 0.132 181 HD13 ILE 23 HD13 ILE 23 -4.412 13.872 -0.420 182 H THR 24 HN THR 24 -3.839 14.304 -6.705 183 HA THR 24 HA THR 24 -6.422 13.114 -7.568 184 HB THR 24 HB THR 24 -5.583 13.505 -9.944 185 HG1 THR 24 HG1 THR 24 -3.348 14.096 -8.873 186 HG21 THR 24 HG21 THR 24 -6.007 16.048 -8.349 187 HG22 THR 24 HG22 THR 24 -7.285 15.002 -8.974 188 HG23 THR 24 HG23 THR 24 -6.218 15.855 -10.094 189 HA PRO 25 HA PRO 25 -4.267 9.164 -8.034 190 HB2 PRO 25 HB2 PRO 25 -5.251 9.009 -10.883 191 HB3 PRO 25 HB1 PRO 25 -5.399 7.828 -9.571 192 HG2 PRO 25 HG2 PRO 25 -7.507 9.302 -10.274 193 HG3 PRO 25 HG1 PRO 25 -7.179 8.973 -8.557 194 HD2 PRO 25 HD2 PRO 25 -6.634 11.485 -10.147 195 HD3 PRO 25 HD1 PRO 25 -7.275 11.313 -8.495 196 H GLU 26 HN GLU 26 -3.682 11.707 -10.403 197 HA GLU 26 HA GLU 26 -1.251 10.418 -11.442 198 HB2 GLU 26 HB2 GLU 26 -1.209 12.281 -13.084 199 HB3 GLU 26 HB1 GLU 26 -2.710 11.371 -13.134 200 HG2 GLU 26 HG2 GLU 26 -2.781 13.797 -11.401 201 HG3 GLU 26 HG1 GLU 26 -2.547 14.113 -13.122 202 H SER 27 HN SER 27 -1.843 12.038 -8.730 203 HA SER 27 HA SER 27 0.204 14.119 -8.826 204 HB2 SER 27 HB2 SER 27 -1.477 13.081 -6.496 205 HB3 SER 27 HB1 SER 27 -0.325 14.418 -6.379 206 HG SER 27 HG SER 27 -1.648 15.683 -7.445 207 H HIS 28 HN HIS 28 2.276 13.803 -8.329 208 HA HIS 28 HA HIS 28 3.228 11.255 -7.240 209 HB2 HIS 28 HB2 HIS 28 4.292 12.401 -9.262 210 HB3 HIS 28 HB1 HIS 28 4.842 13.675 -8.176 211 HD2 HIS 28 HD2 HIS 28 5.824 10.199 -9.366 212 HE1 HIS 28 HE1 HIS 28 8.439 11.240 -6.226 213 HE2 HIS 28 HE2 HIS 28 8.126 9.815 -8.283 214 H ALA 29 HN ALA 29 3.720 11.089 -5.063 215 HA ALA 29 HA ALA 29 3.018 12.905 -3.157 216 HB1 ALA 29 HB1 ALA 29 3.312 10.502 -2.734 217 HB2 ALA 29 HB2 ALA 29 4.203 11.465 -1.551 218 HB3 ALA 29 HB3 ALA 29 5.063 10.678 -2.878 219 H ILE 30 HN ILE 30 6.176 12.645 -4.763 220 HA ILE 30 HA ILE 30 7.421 14.372 -2.717 221 HB ILE 30 HB ILE 30 8.838 12.816 -4.936 222 HG12 ILE 30 HG12 ILE 30 8.415 12.014 -2.008 223 HG13 ILE 30 HG11 ILE 30 7.696 11.216 -3.407 224 HG21 ILE 30 HG21 ILE 30 10.872 13.192 -3.562 225 HG22 ILE 30 HG22 ILE 30 9.919 14.113 -2.397 226 HG23 ILE 30 HG23 ILE 30 10.135 14.728 -4.039 227 HD11 ILE 30 HD11 ILE 30 10.643 11.313 -2.730 228 HD12 ILE 30 HD12 ILE 30 9.938 10.524 -4.144 229 HD13 ILE 30 HD13 ILE 30 9.557 9.939 -2.527 230 H ASP 31 HN ASP 31 6.886 14.062 -6.204 231 HA ASP 31 HA ASP 31 8.400 16.435 -6.895 232 HB2 ASP 31 HB2 ASP 31 8.418 14.446 -8.360 233 HB3 ASP 31 HB1 ASP 31 6.676 14.560 -8.577 234 H ASP 32 HN ASP 32 4.992 15.532 -6.591 235 HA ASP 32 HA ASP 32 4.104 18.104 -7.741 236 HB2 ASP 32 HB2 ASP 32 3.238 16.005 -8.763 237 HB3 ASP 32 HB1 ASP 32 2.523 15.552 -7.222 238 H LEU 33 HN LEU 33 3.312 15.930 -5.011 239 HA LEU 33 HA LEU 33 1.734 17.899 -3.637 240 HB2 LEU 33 HB2 LEU 33 2.805 15.236 -2.639 241 HB3 LEU 33 HB1 LEU 33 1.583 16.213 -1.833 242 HG LEU 33 HG LEU 33 1.260 14.826 -4.536 243 HD11 LEU 33 HD11 LEU 33 1.298 13.235 -2.687 244 HD12 LEU 33 HD12 LEU 33 -0.311 13.344 -3.387 245 HD13 LEU 33 HD13 LEU 33 0.031 14.135 -1.847 246 HD21 LEU 33 HD21 LEU 33 -0.056 16.886 -4.493 247 HD22 LEU 33 HD22 LEU 33 -0.781 16.435 -2.949 248 HD23 LEU 33 HD23 LEU 33 -1.122 15.488 -4.399 249 H GLY 34 HN GLY 34 5.071 17.301 -3.875 250 HA2 GLY 34 HA2 GLY 34 6.909 18.304 -2.963 251 HA3 GLY 34 HA1 GLY 34 5.823 19.474 -2.232 252 H ILE 35 HN ILE 35 5.886 16.001 -1.673 253 HA ILE 35 HA ILE 35 6.426 16.413 1.216 254 HB ILE 35 HB ILE 35 4.996 14.115 -0.219 255 HG12 ILE 35 HG12 ILE 35 3.803 16.257 1.600 256 HG13 ILE 35 HG11 ILE 35 3.698 16.271 -0.160 257 HG21 ILE 35 HG21 ILE 35 4.414 13.269 2.029 258 HG22 ILE 35 HG22 ILE 35 5.378 14.546 2.767 259 HG23 ILE 35 HG23 ILE 35 6.162 13.302 1.791 260 HD11 ILE 35 HD11 ILE 35 2.531 14.184 1.671 261 HD12 ILE 35 HD12 ILE 35 2.431 14.184 -0.094 262 HD13 ILE 35 HD13 ILE 35 1.660 15.467 0.836 263 H ASP 36 HN ASP 36 8.445 15.715 1.838 264 HA ASP 36 HA ASP 36 10.105 14.175 0.004 265 HB2 ASP 36 HB2 ASP 36 10.671 15.227 2.816 266 HB3 ASP 36 HB1 ASP 36 11.858 14.418 1.792 267 H SER 37 HN SER 37 11.324 12.333 0.887 268 HA SER 37 HA SER 37 9.993 10.057 1.624 269 HB2 SER 37 HB2 SER 37 12.340 9.326 2.438 270 HB3 SER 37 HB1 SER 37 12.270 9.984 0.789 271 H LEU 38 HN LEU 38 11.601 12.405 3.729 272 HA LEU 38 HA LEU 38 11.448 11.168 6.227 273 HB2 LEU 38 HB2 LEU 38 11.324 14.155 5.661 274 HB3 LEU 38 HB1 LEU 38 11.814 13.403 7.177 275 HG LEU 38 HG LEU 38 13.314 13.229 4.530 276 HD11 LEU 38 HD11 LEU 38 15.042 14.562 5.640 277 HD12 LEU 38 HD12 LEU 38 14.026 14.706 7.075 278 HD13 LEU 38 HD13 LEU 38 13.509 15.430 5.549 279 HD21 LEU 38 HD21 LEU 38 14.059 12.035 7.226 280 HD22 LEU 38 HD22 LEU 38 15.090 12.066 5.793 281 HD23 LEU 38 HD23 LEU 38 13.594 11.140 5.776 282 H ASP 39 HN ASP 39 9.165 13.418 4.685 283 HA ASP 39 HA ASP 39 7.246 13.419 6.856 284 HB2 ASP 39 HB2 ASP 39 6.814 14.344 3.979 285 HB3 ASP 39 HB1 ASP 39 5.885 14.826 5.399 286 H PHE 40 HN PHE 40 7.751 11.698 3.865 287 HA PHE 40 HA PHE 40 5.163 10.519 3.622 288 HB2 PHE 40 HB2 PHE 40 6.777 10.900 1.699 289 HB3 PHE 40 HB1 PHE 40 7.768 9.588 2.332 290 HD1 PHE 40 HD1 PHE 40 4.426 10.412 0.919 291 HD2 PHE 40 HD2 PHE 40 7.185 7.287 1.881 292 HE1 PHE 40 HE1 PHE 40 3.036 8.803 -0.300 293 HE2 PHE 40 HE2 PHE 40 5.782 5.681 0.657 294 HZ PHE 40 HZ PHE 40 3.709 6.439 -0.431 295 H LEU 41 HN LEU 41 8.049 9.748 5.461 296 HA LEU 41 HA LEU 41 7.650 7.037 6.088 297 HB2 LEU 41 HB2 LEU 41 8.623 9.266 7.935 298 HB3 LEU 41 HB1 LEU 41 8.740 7.549 8.301 299 HG LEU 41 HG LEU 41 10.189 9.001 6.055 300 HD11 LEU 41 HD11 LEU 41 12.236 8.509 7.322 301 HD12 LEU 41 HD12 LEU 41 11.269 7.802 8.622 302 HD13 LEU 41 HD13 LEU 41 11.124 9.522 8.242 303 HD21 LEU 41 HD21 LEU 41 9.642 6.742 5.315 304 HD22 LEU 41 HD22 LEU 41 10.305 6.057 6.801 305 HD23 LEU 41 HD23 LEU 41 11.369 6.861 5.646 306 H ASP 42 HN ASP 42 6.409 9.963 7.724 307 HA ASP 42 HA ASP 42 4.756 8.672 9.630 308 HB2 ASP 42 HB2 ASP 42 4.557 11.493 8.484 309 HB3 ASP 42 HB1 ASP 42 3.682 10.928 9.910 310 H ILE 43 HN ILE 43 4.103 9.807 6.328 311 HA ILE 43 HA ILE 43 1.326 9.247 6.234 312 HB ILE 43 HB ILE 43 3.388 9.131 3.984 313 HG12 ILE 43 HG12 ILE 43 1.457 11.358 4.790 314 HG13 ILE 43 HG11 ILE 43 3.205 11.376 5.009 315 HG21 ILE 43 HG21 ILE 43 0.353 9.190 3.725 316 HG22 ILE 43 HG22 ILE 43 1.399 7.821 3.343 317 HG23 ILE 43 HG23 ILE 43 1.503 9.298 2.389 318 HD11 ILE 43 HD11 ILE 43 1.740 11.370 2.366 319 HD12 ILE 43 HD12 ILE 43 3.494 11.361 2.568 320 HD13 ILE 43 HD13 ILE 43 2.550 12.741 3.120 321 H ALA 44 HN ALA 44 4.199 7.192 5.663 322 HA ALA 44 HA ALA 44 2.728 4.957 4.613 323 HB1 ALA 44 HB1 ALA 44 4.931 3.851 4.545 324 HB2 ALA 44 HB2 ALA 44 5.640 5.176 5.473 325 HB3 ALA 44 HB3 ALA 44 5.018 5.469 3.849 326 H PHE 45 HN PHE 45 3.881 5.969 7.771 327 HA PHE 45 HA PHE 45 3.456 3.489 9.163 328 HB2 PHE 45 HB2 PHE 45 3.849 6.363 10.066 329 HB3 PHE 45 HB1 PHE 45 3.313 5.156 11.227 330 HD1 PHE 45 HD2 PHE 45 4.770 3.040 11.519 331 HD2 PHE 45 HD1 PHE 45 6.183 6.593 9.623 332 HE1 PHE 45 HE2 PHE 45 7.092 2.341 11.920 333 HE2 PHE 45 HE1 PHE 45 8.502 5.882 10.017 334 HZ PHE 45 HZ PHE 45 8.959 3.756 11.169 335 H ALA 46 HN ALA 46 1.491 6.339 8.416 336 HA ALA 46 HA ALA 46 -0.791 5.561 9.977 337 HB1 ALA 46 HB1 ALA 46 -0.598 7.488 7.641 338 HB2 ALA 46 HB2 ALA 46 -0.407 7.902 9.346 339 HB3 ALA 46 HB3 ALA 46 -1.972 7.346 8.746 340 H ILE 47 HN ILE 47 0.240 5.027 6.638 341 HA ILE 47 HA ILE 47 -2.095 3.664 5.692 342 HB ILE 47 HB ILE 47 0.802 3.582 4.715 343 HG12 ILE 47 HG12 ILE 47 -1.581 5.094 3.538 344 HG13 ILE 47 HG11 ILE 47 -0.357 5.828 4.568 345 HG21 ILE 47 HG21 ILE 47 -1.676 2.513 3.307 346 HG22 ILE 47 HG22 ILE 47 -0.355 1.548 3.971 347 HG23 ILE 47 HG23 ILE 47 -0.060 2.622 2.609 348 HD11 ILE 47 HD11 ILE 47 0.145 4.588 1.859 349 HD12 ILE 47 HD12 ILE 47 1.353 5.369 2.884 350 HD13 ILE 47 HD13 ILE 47 0.024 6.309 2.210 351 H ASP 48 HN ASP 48 0.978 2.640 7.056 352 HA ASP 48 HA ASP 48 0.885 -0.113 6.941 353 HB2 ASP 48 HB2 ASP 48 2.870 1.147 7.664 354 HB3 ASP 48 HB1 ASP 48 2.035 1.727 9.090 355 H LYS 49 HN LYS 49 -0.152 1.954 9.622 356 HA LYS 49 HA LYS 49 -1.302 -0.053 11.261 357 HB2 LYS 49 HB2 LYS 49 -1.592 2.981 11.227 358 HB3 LYS 49 HB1 LYS 49 -2.234 1.962 12.514 359 HG2 LYS 49 HG2 LYS 49 -0.029 1.269 13.187 360 HG3 LYS 49 HG1 LYS 49 0.702 1.986 11.753 361 HD2 LYS 49 HD2 LYS 49 1.133 3.369 13.732 362 HD3 LYS 49 HD1 LYS 49 0.142 4.238 12.559 363 HE2 LYS 49 HE2 LYS 49 -1.881 3.723 13.911 364 HE3 LYS 49 HE1 LYS 49 -0.870 2.887 15.093 365 HZ1 LYS 49 HZ1 LYS 49 -0.724 5.758 14.373 366 HZ2 LYS 49 HZ2 LYS 49 0.303 4.981 15.464 367 HZ3 LYS 49 HZ3 LYS 49 -1.345 5.117 15.807 368 H ALA 50 HN ALA 50 -2.780 2.278 8.952 369 HA ALA 50 HA ALA 50 -5.470 1.715 9.386 370 HB1 ALA 50 HB1 ALA 50 -4.696 3.616 8.030 371 HB2 ALA 50 HB2 ALA 50 -5.890 2.660 7.151 372 HB3 ALA 50 HB3 ALA 50 -4.173 2.513 6.755 373 H PHE 51 HN PHE 51 -3.455 0.341 6.743 374 HA PHE 51 HA PHE 51 -5.549 -1.541 6.028 375 HB2 PHE 51 HB2 PHE 51 -2.820 -0.998 4.811 376 HB3 PHE 51 HB1 PHE 51 -3.994 -2.126 4.144 377 HD1 PHE 51 HD2 PHE 51 -3.237 1.446 4.716 378 HD2 PHE 51 HD1 PHE 51 -5.953 -1.338 2.943 379 HE1 PHE 51 HE2 PHE 51 -4.252 3.265 3.411 380 HE2 PHE 51 HE1 PHE 51 -6.968 0.489 1.652 381 HZ PHE 51 HZ PHE 51 -6.116 2.781 1.880 382 H GLY 52 HN GLY 52 -3.146 -1.641 8.333 383 HA2 GLY 52 HA2 GLY 52 -2.355 -3.321 9.670 384 HA3 GLY 52 HA1 GLY 52 -3.485 -4.408 8.878 385 H ILE 53 HN ILE 53 -1.282 -2.778 6.813 386 HA ILE 53 HA ILE 53 0.269 -5.268 6.389 387 HB ILE 53 HB ILE 53 0.789 -4.208 4.074 388 HG12 ILE 53 HG12 ILE 53 -1.177 -2.654 3.259 389 HG13 ILE 53 HG11 ILE 53 -1.480 -2.365 4.957 390 HG21 ILE 53 HG21 ILE 53 -1.301 -5.063 3.072 391 HG22 ILE 53 HG22 ILE 53 -2.050 -5.088 4.670 392 HG23 ILE 53 HG23 ILE 53 -0.674 -6.138 4.325 393 HD11 ILE 53 HD11 ILE 53 1.067 -1.697 3.507 394 HD12 ILE 53 HD12 ILE 53 0.694 -1.339 5.197 395 HD13 ILE 53 HD13 ILE 53 -0.233 -0.573 3.906 396 H LYS 54 HN LYS 54 2.533 -4.851 5.553 397 HA LYS 54 HA LYS 54 3.753 -2.420 6.738 398 HB2 LYS 54 HB2 LYS 54 4.846 -5.251 6.482 399 HB3 LYS 54 HB1 LYS 54 5.941 -3.880 6.565 400 HG2 LYS 54 HG2 LYS 54 5.747 -4.804 8.770 401 HG3 LYS 54 HG1 LYS 54 4.943 -3.232 8.754 402 HD2 LYS 54 HD2 LYS 54 2.744 -4.537 8.428 403 HD3 LYS 54 HD1 LYS 54 3.667 -5.994 8.806 404 HE2 LYS 54 HE2 LYS 54 2.484 -5.100 10.787 405 HE3 LYS 54 HE1 LYS 54 4.238 -5.077 11.011 406 HZ1 LYS 54 HZ1 LYS 54 4.258 -2.734 10.526 407 HZ2 LYS 54 HZ2 LYS 54 3.138 -3.028 11.752 408 HZ3 LYS 54 HZ3 LYS 54 2.608 -2.732 10.173 409 H LEU 55 HN LEU 55 4.396 -0.972 5.206 410 HA LEU 55 HA LEU 55 4.786 -1.741 2.441 411 HB2 LEU 55 HB2 LEU 55 5.220 0.909 3.886 412 HB3 LEU 55 HB1 LEU 55 5.307 0.686 2.143 413 HG LEU 55 HG LEU 55 2.810 0.385 3.867 414 HD11 LEU 55 HD11 LEU 55 3.540 2.529 1.842 415 HD12 LEU 55 HD12 LEU 55 3.410 2.725 3.592 416 HD13 LEU 55 HD13 LEU 55 1.973 2.361 2.642 417 HD21 LEU 55 HD21 LEU 55 1.572 0.063 1.770 418 HD22 LEU 55 HD22 LEU 55 2.755 -1.214 2.014 419 HD23 LEU 55 HD23 LEU 55 3.084 0.077 0.857 420 HA PRO 56 HA PRO 56 9.329 -2.307 3.182 421 HB2 PRO 56 HB2 PRO 56 9.318 -3.124 0.306 422 HB3 PRO 56 HB1 PRO 56 9.861 -4.025 1.729 423 HG2 PRO 56 HG2 PRO 56 7.605 -4.714 0.443 424 HG3 PRO 56 HG1 PRO 56 7.724 -4.827 2.216 425 HD2 PRO 56 HD2 PRO 56 6.464 -2.638 0.540 426 HD3 PRO 56 HD1 PRO 56 5.802 -3.494 1.953 427 H LEU 57 HN LEU 57 8.690 0.215 3.117 428 HA LEU 57 HA LEU 57 8.994 1.759 0.779 429 HB2 LEU 57 HB2 LEU 57 8.524 2.294 3.579 430 HB3 LEU 57 HB1 LEU 57 9.858 3.306 3.122 431 HG LEU 57 HG LEU 57 7.820 4.585 2.900 432 HD11 LEU 57 HD11 LEU 57 8.862 3.892 0.134 433 HD12 LEU 57 HD12 LEU 57 9.560 5.070 1.247 434 HD13 LEU 57 HD13 LEU 57 7.955 5.343 0.576 435 HD21 LEU 57 HD21 LEU 57 6.809 2.432 1.008 436 HD22 LEU 57 HD22 LEU 57 6.003 3.966 1.364 437 HD23 LEU 57 HD23 LEU 57 6.213 2.769 2.637 438 H GLU 58 HN GLU 58 11.280 0.572 3.134 439 HA GLU 58 HA GLU 58 13.491 2.193 2.556 440 HB2 GLU 58 HB2 GLU 58 13.097 0.567 4.546 441 HB3 GLU 58 HB1 GLU 58 13.695 -0.701 3.480 442 HG2 GLU 58 HG2 GLU 58 15.814 0.559 3.221 443 HG3 GLU 58 HG1 GLU 58 15.189 1.789 4.319 444 H LYS 59 HN LYS 59 12.479 -0.961 1.254 445 HA LYS 59 HA LYS 59 14.652 -1.345 -0.552 446 HB2 LYS 59 HB2 LYS 59 13.158 -3.198 0.204 447 HB3 LYS 59 HB1 LYS 59 11.833 -2.494 -0.714 448 HG2 LYS 59 HG2 LYS 59 13.173 -2.825 -2.804 449 HG3 LYS 59 HG1 LYS 59 14.418 -3.621 -1.843 450 HD2 LYS 59 HD2 LYS 59 11.541 -4.594 -2.132 451 HD3 LYS 59 HD1 LYS 59 12.916 -5.208 -3.047 452 HE2 LYS 59 HE2 LYS 59 12.611 -6.791 -1.329 453 HE3 LYS 59 HE1 LYS 59 13.952 -5.808 -0.749 454 HZ1 LYS 59 HZ1 LYS 59 12.449 -4.644 0.694 455 HZ2 LYS 59 HZ2 LYS 59 12.281 -6.304 0.950 456 HZ3 LYS 59 HZ3 LYS 59 11.117 -5.463 0.055 457 H TRP 60 HN TRP 60 11.362 -0.068 -0.923 458 HA TRP 60 HA TRP 60 11.245 0.278 -3.689 459 HB2 TRP 60 HB2 TRP 60 9.869 1.887 -1.491 460 HB3 TRP 60 HB1 TRP 60 9.443 1.988 -3.197 461 HD1 TRP 60 HD1 TRP 60 10.013 -1.576 -2.712 462 HE1 TRP 60 HE1 TRP 60 7.826 -2.808 -2.189 463 HE3 TRP 60 HE3 TRP 60 7.024 2.431 -1.571 464 HZ2 TRP 60 HZ2 TRP 60 5.209 -2.217 -1.435 465 HZ3 TRP 60 HZ3 TRP 60 4.676 1.994 -0.957 466 HH2 TRP 60 HH2 TRP 60 3.785 -0.286 -0.892 467 H THR 61 HN THR 61 12.326 2.506 -1.174 468 HA THR 61 HA THR 61 12.825 4.717 -2.915 469 HB THR 61 HB THR 61 13.703 4.294 -0.027 470 HG1 THR 61 HG1 THR 61 11.485 4.336 -0.083 471 HG21 THR 61 HG21 THR 61 13.551 6.852 -1.663 472 HG22 THR 61 HG22 THR 61 15.028 6.077 -1.089 473 HG23 THR 61 HG23 THR 61 13.887 6.762 0.067 474 H GLN 62 HN GLN 62 14.785 1.962 -1.738 475 HA GLN 62 HA GLN 62 17.338 3.040 -2.494 476 HB2 GLN 62 HB2 GLN 62 16.328 0.231 -1.931 477 HB3 GLN 62 HB1 GLN 62 17.969 0.501 -2.515 478 HG2 GLN 62 HG2 GLN 62 18.445 1.895 -0.550 479 HG3 GLN 62 HG1 GLN 62 16.806 1.665 0.035 480 HE21 GLN 62 HE21 GLN 62 16.245 -0.285 1.003 481 HE22 GLN 62 HE22 GLN 62 17.421 -1.462 1.465 482 H GLU 63 HN GLU 63 14.850 1.093 -4.045 483 HA GLU 63 HA GLU 63 16.171 0.499 -6.479 484 HB2 GLU 63 HB2 GLU 63 13.201 0.654 -5.808 485 HB3 GLU 63 HB1 GLU 63 13.823 0.034 -7.339 486 HG2 GLU 63 HG2 GLU 63 14.941 -1.799 -6.214 487 HG3 GLU 63 HG1 GLU 63 14.531 -1.137 -4.633 488 H VAL 64 HN VAL 64 14.132 3.194 -5.470 489 HA VAL 64 HA VAL 64 13.969 4.675 -7.848 490 HB VAL 64 HB VAL 64 14.024 5.559 -4.932 491 HG11 VAL 64 HG11 VAL 64 14.765 7.495 -6.248 492 HG12 VAL 64 HG12 VAL 64 13.120 7.765 -5.669 493 HG13 VAL 64 HG13 VAL 64 13.395 7.300 -7.348 494 HG21 VAL 64 HG21 VAL 64 12.075 4.185 -5.567 495 HG22 VAL 64 HG22 VAL 64 11.713 5.280 -6.903 496 HG23 VAL 64 HG23 VAL 64 11.573 5.844 -5.234 497 H ASN 65 HN ASN 65 16.368 4.942 -5.213 498 HA ASN 65 HA ASN 65 18.055 6.829 -6.433 499 HB2 ASN 65 HB2 ASN 65 18.391 4.928 -4.102 500 HB3 ASN 65 HB1 ASN 65 19.789 5.833 -4.683 501 HD21 ASN 65 HD21 ASN 65 16.675 6.083 -3.101 502 HD22 ASN 65 HD22 ASN 65 16.865 7.707 -2.565 503 H ASP 66 HN ASP 66 18.140 3.270 -6.702 504 HA ASP 66 HA ASP 66 20.716 3.372 -8.104 505 HB2 ASP 66 HB2 ASP 66 19.042 1.016 -7.160 506 HB3 ASP 66 HB1 ASP 66 20.582 0.851 -8.002 507 H GLY 67 HN GLY 67 17.761 4.010 -9.165 508 HA2 GLY 67 HA2 GLY 67 16.770 4.034 -11.221 509 HA3 GLY 67 HA1 GLY 67 18.289 3.460 -11.890 510 H LYS 68 HN LYS 68 16.995 1.397 -9.496 511 HA LYS 68 HA LYS 68 16.552 -0.787 -11.302 512 HB2 LYS 68 HB2 LYS 68 15.781 -0.523 -8.361 513 HB3 LYS 68 HB1 LYS 68 15.874 -2.027 -9.271 514 HG2 LYS 68 HG2 LYS 68 18.206 -0.206 -8.593 515 HG3 LYS 68 HG1 LYS 68 17.805 -1.720 -7.780 516 HD2 LYS 68 HD2 LYS 68 18.149 -2.916 -9.967 517 HD3 LYS 68 HD1 LYS 68 18.687 -1.390 -10.672 518 HE2 LYS 68 HE2 LYS 68 20.577 -1.316 -9.086 519 HE3 LYS 68 HE1 LYS 68 20.017 -2.815 -8.337 520 HZ1 LYS 68 HZ1 LYS 68 20.337 -3.919 -10.485 521 HZ2 LYS 68 HZ2 LYS 68 21.768 -3.279 -9.868 522 HZ3 LYS 68 HZ3 LYS 68 20.970 -2.487 -11.127 523 H ALA 69 HN ALA 69 14.553 1.490 -9.574 524 HA ALA 69 HA ALA 69 12.247 0.959 -11.290 525 HB1 ALA 69 HB1 ALA 69 10.696 0.875 -9.378 526 HB2 ALA 69 HB2 ALA 69 12.053 0.963 -8.249 527 HB3 ALA 69 HB3 ALA 69 11.857 -0.450 -9.290 528 H THR 70 HN THR 70 11.017 2.796 -11.577 529 HA THR 70 HA THR 70 12.326 5.335 -11.077 530 HB THR 70 HB THR 70 9.653 4.828 -12.477 531 HG1 THR 70 HG1 THR 70 12.325 4.580 -13.407 532 HG21 THR 70 HG21 THR 70 11.675 7.081 -12.778 533 HG22 THR 70 HG22 THR 70 10.097 7.213 -11.999 534 HG23 THR 70 HG23 THR 70 10.201 6.893 -13.730 535 H THR 71 HN THR 71 11.265 7.164 -10.091 536 HA THR 71 HA THR 71 10.321 6.550 -7.525 537 HB THR 71 HB THR 71 9.919 9.307 -8.732 538 HG1 THR 71 HG1 THR 71 11.993 9.566 -9.053 539 HG21 THR 71 HG21 THR 71 10.791 10.035 -6.554 540 HG22 THR 71 HG22 THR 71 11.037 8.352 -6.084 541 HG23 THR 71 HG23 THR 71 9.403 8.962 -6.343 542 H GLU 72 HN GLU 72 8.633 8.027 -10.296 543 HA GLU 72 HA GLU 72 6.064 8.187 -9.551 544 HB2 GLU 72 HB2 GLU 72 7.117 7.206 -12.234 545 HB3 GLU 72 HB1 GLU 72 5.424 7.591 -11.953 546 HG2 GLU 72 HG2 GLU 72 6.339 9.492 -13.000 547 HG3 GLU 72 HG1 GLU 72 6.155 9.931 -11.307 548 H GLN 73 HN GLN 73 7.645 5.201 -10.474 549 HA GLN 73 HA GLN 73 5.469 3.476 -10.721 550 HB2 GLN 73 HB2 GLN 73 7.867 3.045 -11.399 551 HB3 GLN 73 HB1 GLN 73 8.227 2.675 -9.724 552 HG2 GLN 73 HG2 GLN 73 6.029 1.108 -11.032 553 HG3 GLN 73 HG1 GLN 73 7.669 0.792 -11.582 554 HE21 GLN 73 HE21 GLN 73 9.172 -0.081 -10.103 555 HE22 GLN 73 HE22 GLN 73 8.664 -0.909 -8.676 556 H TYR 74 HN TYR 74 6.902 4.715 -7.784 557 HA TYR 74 HA TYR 74 5.134 2.999 -6.127 558 HB2 TYR 74 HB2 TYR 74 7.632 4.520 -5.268 559 HB3 TYR 74 HB1 TYR 74 6.635 3.508 -4.225 560 HD1 TYR 74 HD2 TYR 74 6.248 1.009 -5.215 561 HD2 TYR 74 HD1 TYR 74 9.598 3.521 -6.107 562 HE1 TYR 74 HE2 TYR 74 7.561 -0.963 -5.837 563 HE2 TYR 74 HE1 TYR 74 10.894 1.536 -6.735 564 HH TYR 74 HH TYR 74 10.836 -0.946 -6.212 565 H PHE 75 HN PHE 75 5.998 6.413 -6.791 566 HA PHE 75 HA PHE 75 4.565 7.265 -4.363 567 HB2 PHE 75 HB2 PHE 75 6.686 8.627 -6.056 568 HB3 PHE 75 HB1 PHE 75 5.795 9.474 -4.798 569 HD1 PHE 75 HD1 PHE 75 8.355 6.870 -5.435 570 HD2 PHE 75 HD2 PHE 75 6.211 9.037 -2.430 571 HE1 PHE 75 HE1 PHE 75 9.965 6.115 -3.735 572 HE2 PHE 75 HE2 PHE 75 7.833 8.287 -0.745 573 HZ PHE 75 HZ PHE 75 9.706 6.812 -1.384 574 H VAL 76 HN VAL 76 3.728 6.963 -7.568 575 HA VAL 76 HA VAL 76 2.164 9.470 -7.712 576 HB VAL 76 HB VAL 76 2.383 7.126 -9.667 577 HG11 VAL 76 HG11 VAL 76 0.061 7.962 -9.725 578 HG12 VAL 76 HG12 VAL 76 0.917 8.405 -11.204 579 HG13 VAL 76 HG13 VAL 76 0.649 9.614 -9.943 580 HG21 VAL 76 HG21 VAL 76 3.190 10.042 -9.954 581 HG22 VAL 76 HG22 VAL 76 3.392 8.783 -11.177 582 HG23 VAL 76 HG23 VAL 76 4.294 8.696 -9.663 583 H LEU 77 HN LEU 77 0.015 9.467 -7.071 584 HA LEU 77 HA LEU 77 -0.519 7.752 -4.961 585 HB2 LEU 77 HB2 LEU 77 -2.446 9.620 -6.366 586 HB3 LEU 77 HB1 LEU 77 -2.714 8.893 -4.785 587 HG LEU 77 HG LEU 77 -0.591 10.942 -5.522 588 HD11 LEU 77 HD11 LEU 77 -2.908 11.086 -3.582 589 HD12 LEU 77 HD12 LEU 77 -2.794 11.889 -5.152 590 HD13 LEU 77 HD13 LEU 77 -1.697 12.344 -3.850 591 HD21 LEU 77 HD21 LEU 77 0.464 9.333 -4.023 592 HD22 LEU 77 HD22 LEU 77 -0.884 9.457 -2.889 593 HD23 LEU 77 HD23 LEU 77 0.170 10.847 -3.168 594 H LYS 78 HN LYS 78 -1.640 7.368 -8.285 595 HA LYS 78 HA LYS 78 -3.522 5.258 -7.652 596 HB2 LYS 78 HB2 LYS 78 -3.643 4.860 -10.073 597 HB3 LYS 78 HB1 LYS 78 -3.772 6.576 -9.714 598 HG2 LYS 78 HG2 LYS 78 -1.397 6.880 -10.351 599 HG3 LYS 78 HG1 LYS 78 -1.302 5.165 -10.761 600 HD2 LYS 78 HD2 LYS 78 -3.069 5.526 -12.496 601 HD3 LYS 78 HD1 LYS 78 -3.067 7.252 -12.104 602 HE2 LYS 78 HE2 LYS 78 -1.704 6.874 -14.083 603 HE3 LYS 78 HE1 LYS 78 -0.652 7.352 -12.755 604 HZ1 LYS 78 HZ1 LYS 78 -1.056 4.602 -13.801 605 HZ2 LYS 78 HZ2 LYS 78 -0.134 4.978 -12.440 606 HZ3 LYS 78 HZ3 LYS 78 0.333 5.556 -13.950 607 H ASN 79 HN ASN 79 -0.115 5.388 -8.635 608 HA ASN 79 HA ASN 79 0.320 2.550 -8.838 609 HB2 ASN 79 HB2 ASN 79 2.335 4.821 -8.486 610 HB3 ASN 79 HB1 ASN 79 2.769 3.147 -8.825 611 HD21 ASN 79 HD21 ASN 79 3.698 3.463 -10.785 612 HD22 ASN 79 HD22 ASN 79 2.870 4.053 -12.178 613 H LEU 80 HN LEU 80 0.607 4.948 -6.298 614 HA LEU 80 HA LEU 80 1.942 3.413 -4.339 615 HB2 LEU 80 HB2 LEU 80 1.816 5.900 -4.279 616 HB3 LEU 80 HB1 LEU 80 0.076 5.812 -4.047 617 HG LEU 80 HG LEU 80 0.404 4.788 -1.817 618 HD11 LEU 80 HD11 LEU 80 3.385 5.065 -2.337 619 HD12 LEU 80 HD12 LEU 80 2.481 3.552 -2.195 620 HD13 LEU 80 HD13 LEU 80 2.641 4.613 -0.799 621 HD21 LEU 80 HD21 LEU 80 1.324 6.754 -0.654 622 HD22 LEU 80 HD22 LEU 80 0.250 7.234 -1.968 623 HD23 LEU 80 HD23 LEU 80 2.002 7.350 -2.175 624 H ALA 81 HN ALA 81 -1.460 4.215 -4.981 625 HA ALA 81 HA ALA 81 -2.633 2.649 -2.931 626 HB1 ALA 81 HB1 ALA 81 -3.833 4.468 -4.061 627 HB2 ALA 81 HB2 ALA 81 -4.734 2.952 -4.170 628 HB3 ALA 81 HB3 ALA 81 -3.831 3.549 -5.571 629 H ALA 82 HN ALA 82 -1.445 1.878 -6.149 630 HA ALA 82 HA ALA 82 -2.668 -0.683 -6.427 631 HB1 ALA 82 HB1 ALA 82 -1.756 0.547 -8.360 632 HB2 ALA 82 HB2 ALA 82 -1.003 -1.043 -8.211 633 HB3 ALA 82 HB3 ALA 82 -0.126 0.402 -7.700 634 H ARG 83 HN ARG 83 0.629 0.353 -5.401 635 HA ARG 83 HA ARG 83 1.766 -2.158 -4.929 636 HB2 ARG 83 HB2 ARG 83 2.387 0.438 -3.459 637 HB3 ARG 83 HB1 ARG 83 3.407 -0.993 -3.461 638 HG2 ARG 83 HG2 ARG 83 2.808 0.776 -5.850 639 HG3 ARG 83 HG1 ARG 83 4.297 0.760 -4.913 640 HD2 ARG 83 HD2 ARG 83 4.878 -0.502 -6.792 641 HD3 ARG 83 HD1 ARG 83 4.439 -1.752 -5.637 642 HE ARG 83 HE ARG 83 2.498 -2.215 -6.850 643 HH11 ARG 83 HH11 ARG 83 4.265 0.432 -8.383 644 HH12 ARG 83 HH12 ARG 83 3.432 0.252 -9.891 645 HH21 ARG 83 HH21 ARG 83 1.447 -2.418 -8.844 646 HH22 ARG 83 HH22 ARG 83 1.843 -1.348 -10.154 647 H ILE 84 HN ILE 84 0.023 -0.011 -2.707 648 HA ILE 84 HA ILE 84 0.398 -1.493 -0.303 649 HB ILE 84 HB ILE 84 -1.816 0.483 -1.019 650 HG12 ILE 84 HG12 ILE 84 0.763 1.110 0.491 651 HG13 ILE 84 HG11 ILE 84 0.604 1.338 -1.245 652 HG21 ILE 84 HG21 ILE 84 -0.863 -0.433 1.730 653 HG22 ILE 84 HG22 ILE 84 -2.407 -0.840 0.974 654 HG23 ILE 84 HG23 ILE 84 -2.062 0.829 1.432 655 HD11 ILE 84 HD11 ILE 84 -1.150 2.971 -0.878 656 HD12 ILE 84 HD12 ILE 84 0.319 3.401 -0.009 657 HD13 ILE 84 HD13 ILE 84 -1.046 2.712 0.863 658 H ASP 85 HN ASP 85 -2.244 -1.303 -2.679 659 HA ASP 85 HA ASP 85 -4.085 -3.065 -1.444 660 HB2 ASP 85 HB2 ASP 85 -4.644 -1.394 -3.232 661 HB3 ASP 85 HB1 ASP 85 -3.784 -2.381 -4.406 662 H GLU 86 HN GLU 86 -1.365 -3.605 -3.624 663 HA GLU 86 HA GLU 86 -1.825 -6.393 -4.157 664 HB2 GLU 86 HB2 GLU 86 0.628 -4.627 -4.554 665 HB3 GLU 86 HB1 GLU 86 0.549 -6.310 -5.072 666 HG2 GLU 86 HG2 GLU 86 -1.267 -5.811 -6.602 667 HG3 GLU 86 HG1 GLU 86 -1.367 -4.157 -6.008 668 H LEU 87 HN LEU 87 -0.206 -4.622 -1.603 669 HA LEU 87 HA LEU 87 0.980 -6.989 -0.380 670 HB2 LEU 87 HB2 LEU 87 0.583 -4.194 0.756 671 HB3 LEU 87 HB1 LEU 87 1.542 -5.474 1.501 672 HG LEU 87 HG LEU 87 2.142 -4.108 -1.159 673 HD11 LEU 87 HD11 LEU 87 3.582 -3.882 1.486 674 HD12 LEU 87 HD12 LEU 87 2.568 -2.651 0.732 675 HD13 LEU 87 HD13 LEU 87 4.072 -3.138 -0.039 676 HD21 LEU 87 HD21 LEU 87 2.877 -6.457 -1.216 677 HD22 LEU 87 HD22 LEU 87 3.789 -6.221 0.277 678 HD23 LEU 87 HD23 LEU 87 4.253 -5.356 -1.190 679 H VAL 88 HN VAL 88 -2.019 -5.217 -0.213 680 HA VAL 88 HA VAL 88 -3.134 -6.553 2.102 681 HB VAL 88 HB VAL 88 -4.413 -4.922 -0.154 682 HG11 VAL 88 HG11 VAL 88 -6.486 -4.870 1.208 683 HG12 VAL 88 HG12 VAL 88 -5.768 -6.023 2.334 684 HG13 VAL 88 HG13 VAL 88 -6.091 -6.501 0.668 685 HG21 VAL 88 HG21 VAL 88 -2.983 -3.607 1.391 686 HG22 VAL 88 HG22 VAL 88 -3.925 -4.185 2.765 687 HG23 VAL 88 HG23 VAL 88 -4.682 -3.150 1.550 688 H ALA 89 HN ALA 89 -2.968 -7.033 -1.373 689 HA ALA 89 HA ALA 89 -4.681 -9.327 -1.564 690 HB1 ALA 89 HB1 ALA 89 -2.483 -8.378 -3.440 691 HB2 ALA 89 HB2 ALA 89 -4.185 -7.923 -3.534 692 HB3 ALA 89 HB3 ALA 89 -3.707 -9.598 -3.815 693 H ALA 90 HN ALA 90 -1.211 -8.756 -1.088 694 HA ALA 90 HA ALA 90 -0.293 -11.415 -1.034 695 HB1 ALA 90 HB1 ALA 90 1.205 -9.460 -1.133 696 HB2 ALA 90 HB2 ALA 90 1.647 -10.544 0.189 697 HB3 ALA 90 HB3 ALA 90 0.777 -9.042 0.527 698 H LYS 91 HN LYS 91 -2.068 -9.543 1.316 699 HA LYS 91 HA LYS 91 -1.700 -11.403 3.532 700 HB2 LYS 91 HB2 LYS 91 -1.993 -8.979 3.959 701 HB3 LYS 91 HB1 LYS 91 -3.563 -9.014 3.160 702 HG2 LYS 91 HG2 LYS 91 -4.349 -10.620 4.948 703 HG3 LYS 91 HG1 LYS 91 -2.813 -10.364 5.785 704 HD2 LYS 91 HD2 LYS 91 -4.903 -8.242 5.152 705 HD3 LYS 91 HD1 LYS 91 -4.621 -8.971 6.736 706 HE2 LYS 91 HE2 LYS 91 -2.330 -7.992 6.744 707 HE3 LYS 91 HE1 LYS 91 -2.660 -7.246 5.177 708 HZ1 LYS 91 HZ1 LYS 91 -3.032 -5.647 6.831 709 HZ2 LYS 91 HZ2 LYS 91 -3.989 -6.684 7.750 710 HZ3 LYS 91 HZ3 LYS 91 -4.552 -6.103 6.267 711 H GLY 92 HN GLY 92 -3.929 -10.884 0.869 712 HA2 GLY 92 HA2 GLY 92 -6.228 -12.111 2.187 713 HA3 GLY 92 HA1 GLY 92 -6.187 -11.392 0.585 714 H ALA 93 HN ALA 93 -3.971 -12.849 -0.428 715 HA ALA 93 HA ALA 93 -4.621 -15.672 -0.453 716 HB1 ALA 93 HB1 ALA 93 -6.449 -14.761 -1.853 717 HB2 ALA 93 HB2 ALA 93 -5.348 -15.744 -2.814 718 HB3 ALA 93 HB3 ALA 93 -5.269 -13.981 -2.910 719 H LEU 94 HN LEU 94 -3.102 -13.050 -2.380 720 HA LEU 94 HA LEU 94 -1.195 -14.739 -3.662 721 HB2 LEU 94 HB2 LEU 94 -1.298 -11.702 -3.449 722 HB3 LEU 94 HB1 LEU 94 -0.363 -12.621 -4.623 723 HG LEU 94 HG LEU 94 -3.414 -12.512 -4.492 724 HD11 LEU 94 HD11 LEU 94 -2.461 -10.383 -5.251 725 HD12 LEU 94 HD12 LEU 94 -3.270 -11.212 -6.577 726 HD13 LEU 94 HD13 LEU 94 -1.508 -11.223 -6.479 727 HD21 LEU 94 HD21 LEU 94 -3.348 -13.727 -6.649 728 HD22 LEU 94 HD22 LEU 94 -2.649 -14.678 -5.343 729 HD23 LEU 94 HD23 LEU 94 -1.595 -13.878 -6.512 730 H GLU 95 HN GLU 95 1.104 -13.570 -3.759 731 HA GLU 95 HA GLU 95 2.284 -13.200 -1.066 732 HB2 GLU 95 HB2 GLU 95 4.459 -13.836 -2.723 733 HB3 GLU 95 HB1 GLU 95 3.648 -14.948 -1.638 734 HG2 GLU 95 HG2 GLU 95 3.930 -16.036 -3.758 735 HG3 GLU 95 HG1 GLU 95 2.219 -15.724 -3.515 736 H HIS 96 HN HIS 96 2.307 -12.258 -4.448 737 HA HIS 96 HA HIS 96 2.200 -9.483 -3.939 738 HB2 HIS 96 HB2 HIS 96 4.312 -8.726 -4.950 739 HB3 HIS 96 HB1 HIS 96 4.680 -9.750 -3.574 740 HD1 HIS 96 HD1 HIS 96 5.205 -9.460 -7.216 741 HD2 HIS 96 HD2 HIS 96 5.735 -12.341 -4.274 742 HE1 HIS 96 HE1 HIS 96 6.642 -11.232 -8.262 743 HE2 HIS 96 HE2 HIS 96 6.853 -13.010 -6.500 744 H HIS 97 HN HIS 97 1.313 -8.523 -5.782 745 HA HIS 97 HA HIS 97 0.429 -10.323 -7.874 746 HB2 HIS 97 HB2 HIS 97 -1.101 -8.672 -6.804 747 HB3 HIS 97 HB1 HIS 97 -0.134 -7.361 -7.458 748 HD1 HIS 97 HD1 HIS 97 -0.772 -6.527 -9.717 749 HD2 HIS 97 HD2 HIS 97 -2.460 -10.232 -8.862 750 HE1 HIS 97 HE1 HIS 97 -2.368 -6.999 -11.610 751 HE2 HIS 97 HE2 HIS 97 -3.298 -9.286 -11.125 752 H HIS 98 HN HIS 98 1.926 -7.084 -7.963 753 HA HIS 98 HA HIS 98 3.946 -8.018 -9.922 754 HB2 HIS 98 HB2 HIS 98 2.306 -5.454 -10.062 755 HB3 HIS 98 HB1 HIS 98 3.900 -5.540 -10.804 756 HD1 HIS 98 HD1 HIS 98 3.805 -6.081 -13.200 757 HD2 HIS 98 HD2 HIS 98 0.588 -7.731 -11.160 758 HE1 HIS 98 HE1 HIS 98 2.411 -7.219 -14.953 759 HE2 HIS 98 HE2 HIS 98 0.392 -8.074 -13.710 760 H HIS 99 HN HIS 99 5.913 -6.635 -9.857 761 HA HIS 99 HA HIS 99 7.731 -5.866 -8.787 762 HB2 HIS 99 HB2 HIS 99 6.676 -3.801 -8.243 763 HB3 HIS 99 HB1 HIS 99 5.632 -4.540 -7.038 764 HD1 HIS 99 HD1 HIS 99 9.412 -4.154 -7.448 765 HD2 HIS 99 HD2 HIS 99 6.455 -3.841 -4.558 766 HE1 HIS 99 HE1 HIS 99 10.602 -3.563 -5.333 767 HE2 HIS 99 HE2 HIS 99 8.823 -3.559 -3.569 768 H HIS 100 HN HIS 100 9.235 -6.670 -7.291 769 HA HIS 100 HA HIS 100 8.889 -9.313 -6.591 770 HB2 HIS 100 HB2 HIS 100 11.096 -8.259 -6.929 771 HB3 HIS 100 HB1 HIS 100 10.910 -7.362 -5.430 772 HD1 HIS 100 HD1 HIS 100 12.362 -8.355 -3.680 773 HD2 HIS 100 HD2 HIS 100 10.810 -11.264 -6.199 774 HE1 HIS 100 HE1 HIS 100 13.305 -10.527 -2.850 775 HE2 HIS 100 HE2 HIS 100 12.239 -12.289 -4.303 776 H HIS 101 HN HIS 101 9.351 -6.778 -4.043 777 HA HIS 101 HA HIS 101 6.859 -7.004 -2.864 778 HB2 HIS 101 HB2 HIS 101 7.807 -9.332 -2.165 779 HB3 HIS 101 HB1 HIS 101 8.846 -8.453 -1.052 780 HD1 HIS 101 HD1 HIS 101 5.370 -9.632 -1.550 781 HD2 HIS 101 HD2 HIS 101 7.433 -7.191 1.105 782 HE1 HIS 101 HE1 HIS 101 3.819 -9.299 0.393 783 HE2 HIS 101 HE2 HIS 101 5.143 -7.944 2.048 784 H282 PNS 102 H282 PNS 102 16.677 10.089 4.098 785 H281 PNS 102 H281 PNS 102 15.688 8.882 4.901 786 H303 PNS 102 H303 PNS 102 15.660 6.644 1.706 787 H302 PNS 102 H302 PNS 102 14.697 6.982 3.144 788 H301 PNS 102 H301 PNS 102 14.670 8.104 1.782 789 H313 PNS 102 H313 PNS 102 16.792 6.766 4.601 790 H312 PNS 102 H312 PNS 102 17.760 6.431 3.164 791 H311 PNS 102 H311 PNS 102 18.217 7.746 4.249 792 H32 PNS 102 H32 PNS 102 16.807 9.743 1.436 793 H33 PNS 102 H33 PNS 102 19.323 9.050 1.908 794 H36 PNS 102 H36 PNS 102 19.031 6.965 1.834 795 H372 PNS 102 H372 PNS 102 19.403 6.504 -0.942 796 H371 PNS 102 H371 PNS 102 19.917 5.451 0.376 797 H382 PNS 102 H382 PNS 102 17.250 5.471 -1.066 798 H381 PNS 102 H381 PNS 102 18.422 4.159 -0.979 799 H41 PNS 102 H41 PNS 102 18.974 3.914 1.696 800 H422 PNS 102 H422 PNS 102 16.807 4.045 3.489 801 H421 PNS 102 H421 PNS 102 16.794 2.458 2.711 802 H431 PNS 102 H431 PNS 102 19.107 2.079 3.467 803 H432 PNS 102 H432 PNS 102 18.011 2.370 4.824 804 H44 PNS 102 H44 PNS 102 20.785 3.869 4.137 Start of MODEL 15 1 H1 MET 1 HT1 MET 1 -16.717 1.432 -2.475 2 H2 MET 1 HT2 MET 1 -18.069 1.071 -1.524 3 H3 MET 1 HT3 MET 1 -16.613 1.514 -0.789 4 HA MET 1 HA MET 1 -18.282 3.245 -2.515 5 HB2 MET 1 HB2 MET 1 -19.306 2.881 -0.294 6 HB3 MET 1 HB1 MET 1 -17.792 3.299 0.501 7 HG2 MET 1 HG2 MET 1 -19.431 5.129 0.602 8 HG3 MET 1 HG1 MET 1 -17.985 5.606 -0.305 9 HE1 MET 1 HE1 MET 1 -20.789 7.275 -0.519 10 HE2 MET 1 HE2 MET 1 -20.728 7.588 -2.257 11 HE3 MET 1 HE3 MET 1 -19.257 7.677 -1.279 12 H THR 2 HN THR 2 -15.646 3.281 -0.093 13 HA THR 2 HA THR 2 -14.174 5.315 -1.629 14 HB THR 2 HB THR 2 -12.720 5.458 0.422 15 HG1 THR 2 HG1 THR 2 -13.648 4.334 2.329 16 HG21 THR 2 HG21 THR 2 -15.699 5.712 1.046 17 HG22 THR 2 HG22 THR 2 -14.712 6.944 0.252 18 HG23 THR 2 HG23 THR 2 -14.383 6.493 1.923 19 H SER 3 HN SER 3 -12.630 4.641 -2.993 20 HA SER 3 HA SER 3 -11.676 1.942 -3.122 21 HB2 SER 3 HB2 SER 3 -10.571 4.405 -4.561 22 HB3 SER 3 HB1 SER 3 -10.363 2.712 -5.033 23 HG SER 3 HG SER 3 -12.402 4.406 -5.564 24 H THR 4 HN THR 4 -9.138 1.656 -3.332 25 HA THR 4 HA THR 4 -7.924 2.070 -0.828 26 HB THR 4 HB THR 4 -6.465 1.545 -3.461 27 HG1 THR 4 HG1 THR 4 -6.760 -0.709 -2.764 28 HG21 THR 4 HG21 THR 4 -4.954 2.073 -1.568 29 HG22 THR 4 HG22 THR 4 -4.814 0.378 -2.034 30 HG23 THR 4 HG23 THR 4 -5.730 0.821 -0.594 31 H PHE 5 HN PHE 5 -7.648 3.852 -3.922 32 HA PHE 5 HA PHE 5 -5.715 5.748 -3.155 33 HB2 PHE 5 HB2 PHE 5 -6.242 5.572 -5.516 34 HB3 PHE 5 HB1 PHE 5 -7.942 5.944 -5.229 35 HD1 PHE 5 HD1 PHE 5 -4.568 7.518 -4.566 36 HD2 PHE 5 HD2 PHE 5 -8.630 8.152 -5.764 37 HE1 PHE 5 HE1 PHE 5 -4.135 9.922 -4.812 38 HE2 PHE 5 HE2 PHE 5 -8.173 10.559 -6.018 39 HZ PHE 5 HZ PHE 5 -5.927 11.444 -5.533 40 H ASP 6 HN ASP 6 -9.276 5.802 -2.767 41 HA ASP 6 HA ASP 6 -9.615 8.443 -1.859 42 HB2 ASP 6 HB2 ASP 6 -11.177 5.916 -1.163 43 HB3 ASP 6 HB1 ASP 6 -11.661 7.523 -0.609 44 H ARG 7 HN ARG 7 -8.992 5.464 -0.059 45 HA ARG 7 HA ARG 7 -8.935 6.574 2.537 46 HB2 ARG 7 HB2 ARG 7 -7.702 3.996 1.469 47 HB3 ARG 7 HB1 ARG 7 -7.807 4.410 3.177 48 HG2 ARG 7 HG2 ARG 7 -10.259 4.243 1.415 49 HG3 ARG 7 HG1 ARG 7 -9.600 2.830 2.233 50 HD2 ARG 7 HD2 ARG 7 -11.452 3.774 3.530 51 HD3 ARG 7 HD1 ARG 7 -9.947 3.939 4.428 52 HE ARG 7 HE ARG 7 -11.177 6.178 2.923 53 HH11 ARG 7 HH11 ARG 7 -9.669 5.004 5.884 54 HH12 ARG 7 HH12 ARG 7 -9.761 6.547 6.676 55 HH21 ARG 7 HH21 ARG 7 -11.255 8.188 3.983 56 HH22 ARG 7 HH22 ARG 7 -10.659 8.329 5.605 57 H VAL 8 HN VAL 8 -6.251 5.620 0.382 58 HA VAL 8 HA VAL 8 -4.051 6.406 1.886 59 HB VAL 8 HB VAL 8 -4.429 6.375 -1.149 60 HG11 VAL 8 HG11 VAL 8 -1.798 6.633 0.370 61 HG12 VAL 8 HG12 VAL 8 -2.533 7.873 -0.648 62 HG13 VAL 8 HG13 VAL 8 -1.950 6.373 -1.368 63 HG21 VAL 8 HG21 VAL 8 -3.083 4.356 0.699 64 HG22 VAL 8 HG22 VAL 8 -3.244 4.205 -1.053 65 HG23 VAL 8 HG23 VAL 8 -4.681 4.173 -0.030 66 H ALA 9 HN ALA 9 -5.901 8.309 -0.447 67 HA ALA 9 HA ALA 9 -4.470 10.712 -0.434 68 HB1 ALA 9 HB1 ALA 9 -7.450 10.316 -0.923 69 HB2 ALA 9 HB2 ALA 9 -6.178 10.164 -2.138 70 HB3 ALA 9 HB3 ALA 9 -6.499 11.732 -1.394 71 H THR 10 HN THR 10 -7.285 9.685 1.490 72 HA THR 10 HA THR 10 -7.621 12.060 2.978 73 HB THR 10 HB THR 10 -8.414 9.237 3.815 74 HG1 THR 10 HG1 THR 10 -9.698 9.450 2.140 75 HG21 THR 10 HG21 THR 10 -9.528 11.922 4.714 76 HG22 THR 10 HG22 THR 10 -8.552 10.833 5.704 77 HG23 THR 10 HG23 THR 10 -10.161 10.339 5.173 78 H ILE 11 HN ILE 11 -5.701 9.107 3.637 79 HA ILE 11 HA ILE 11 -4.830 9.788 6.235 80 HB ILE 11 HB ILE 11 -3.448 8.043 4.143 81 HG12 ILE 11 HG12 ILE 11 -5.200 7.151 6.477 82 HG13 ILE 11 HG11 ILE 11 -5.819 7.384 4.851 83 HG21 ILE 11 HG21 ILE 11 -2.964 8.207 7.145 84 HG22 ILE 11 HG22 ILE 11 -1.837 8.672 5.869 85 HG23 ILE 11 HG23 ILE 11 -2.282 6.980 6.074 86 HD11 ILE 11 HD11 ILE 11 -3.677 5.404 5.625 87 HD12 ILE 11 HD12 ILE 11 -4.371 5.617 4.014 88 HD13 ILE 11 HD13 ILE 11 -5.379 5.043 5.342 89 H ILE 12 HN ILE 12 -3.416 10.535 3.007 90 HA ILE 12 HA ILE 12 -0.993 11.713 3.950 91 HB ILE 12 HB ILE 12 -2.503 12.225 1.339 92 HG12 ILE 12 HG12 ILE 12 -0.184 10.317 1.865 93 HG13 ILE 12 HG11 ILE 12 -1.861 9.829 1.686 94 HG21 ILE 12 HG21 ILE 12 -0.355 13.043 0.413 95 HG22 ILE 12 HG22 ILE 12 0.399 12.870 2.000 96 HG23 ILE 12 HG23 ILE 12 -0.903 14.039 1.763 97 HD11 ILE 12 HD11 ILE 12 -1.830 10.656 -0.636 98 HD12 ILE 12 HD12 ILE 12 -0.626 9.402 -0.338 99 HD13 ILE 12 HD13 ILE 12 -0.130 11.090 -0.434 100 H ALA 13 HN ALA 13 -4.178 12.985 3.099 101 HA ALA 13 HA ALA 13 -3.893 15.692 3.605 102 HB1 ALA 13 HB1 ALA 13 -5.870 14.661 2.557 103 HB2 ALA 13 HB2 ALA 13 -6.331 15.716 3.895 104 HB3 ALA 13 HB3 ALA 13 -6.336 13.960 4.108 105 H GLU 14 HN GLU 14 -4.788 13.099 5.927 106 HA GLU 14 HA GLU 14 -5.067 14.836 8.181 107 HB2 GLU 14 HB2 GLU 14 -4.676 11.811 8.081 108 HB3 GLU 14 HB1 GLU 14 -5.153 12.721 9.514 109 HG2 GLU 14 HG2 GLU 14 -6.764 12.485 6.952 110 HG3 GLU 14 HG1 GLU 14 -7.051 11.568 8.426 111 H THR 15 HN THR 15 -2.324 13.176 6.730 112 HA THR 15 HA THR 15 -0.624 13.263 9.038 113 HB THR 15 HB THR 15 0.163 12.875 6.111 114 HG1 THR 15 HG1 THR 15 -0.726 10.990 6.405 115 HG21 THR 15 HG21 THR 15 2.204 11.800 7.044 116 HG22 THR 15 HG22 THR 15 1.703 12.261 8.671 117 HG23 THR 15 HG23 THR 15 2.110 13.505 7.487 118 H CYS 16 HN CYS 16 -0.557 15.180 5.935 119 HA CYS 16 HA CYS 16 1.291 17.094 7.249 120 HB2 CYS 16 HB2 CYS 16 1.101 16.290 4.313 121 HB3 CYS 16 HB1 CYS 16 2.220 17.487 4.974 122 HG CYS 16 HG CYS 16 3.046 15.218 6.834 123 H ASP 17 HN ASP 17 -1.759 17.120 7.024 124 HA ASP 17 HA ASP 17 -3.527 18.386 6.403 125 HB2 ASP 17 HB2 ASP 17 -2.416 19.721 8.203 126 HB3 ASP 17 HB1 ASP 17 -1.557 20.646 6.980 127 H ILE 18 HN ILE 18 -3.004 17.439 4.190 128 HA ILE 18 HA ILE 18 -2.583 19.538 2.139 129 HB ILE 18 HB ILE 18 -2.636 16.488 1.776 130 HG12 ILE 18 HG12 ILE 18 -0.622 17.204 3.049 131 HG13 ILE 18 HG11 ILE 18 -0.192 16.602 1.455 132 HG21 ILE 18 HG21 ILE 18 -1.788 16.937 -0.517 133 HG22 ILE 18 HG22 ILE 18 -1.927 18.673 -0.235 134 HG23 ILE 18 HG23 ILE 18 -3.372 17.665 -0.255 135 HD11 ILE 18 HD11 ILE 18 -0.324 19.509 2.267 136 HD12 ILE 18 HD12 ILE 18 0.128 18.901 0.671 137 HD13 ILE 18 HD13 ILE 18 1.132 18.535 2.072 138 HA PRO 19 HA PRO 19 -7.130 19.456 1.712 139 HB2 PRO 19 HB2 PRO 19 -6.607 20.432 -1.087 140 HB3 PRO 19 HB1 PRO 19 -7.654 21.119 0.165 141 HG2 PRO 19 HG2 PRO 19 -5.316 22.271 -0.434 142 HG3 PRO 19 HG1 PRO 19 -5.869 22.181 1.253 143 HD2 PRO 19 HD2 PRO 19 -3.813 20.469 -0.158 144 HD3 PRO 19 HD1 PRO 19 -3.772 21.160 1.477 145 H ARG 20 HN ARG 20 -7.956 17.435 1.535 146 HA ARG 20 HA ARG 20 -6.886 15.421 -0.127 147 HB2 ARG 20 HB2 ARG 20 -8.004 14.999 2.058 148 HB3 ARG 20 HB1 ARG 20 -9.559 15.393 1.339 149 HG2 ARG 20 HG2 ARG 20 -7.921 13.224 0.045 150 HG3 ARG 20 HG1 ARG 20 -8.671 12.857 1.593 151 HD2 ARG 20 HD2 ARG 20 -10.821 12.979 0.730 152 HD3 ARG 20 HD1 ARG 20 -10.366 14.041 -0.595 153 HE ARG 20 HE ARG 20 -9.071 11.841 -1.300 154 HH11 ARG 20 HH11 ARG 20 -12.385 12.102 -0.144 155 HH12 ARG 20 HH12 ARG 20 -12.956 10.818 -1.158 156 HH21 ARG 20 HH21 ARG 20 -9.848 10.272 -2.686 157 HH22 ARG 20 HH22 ARG 20 -11.510 9.788 -2.614 158 H GLU 21 HN GLU 21 -9.406 17.747 -0.639 159 HA GLU 21 HA GLU 21 -10.817 16.462 -2.758 160 HB2 GLU 21 HB2 GLU 21 -11.804 18.713 -3.122 161 HB3 GLU 21 HB1 GLU 21 -11.855 18.228 -1.431 162 HG2 GLU 21 HG2 GLU 21 -9.856 19.653 -0.990 163 HG3 GLU 21 HG1 GLU 21 -9.894 20.187 -2.674 164 H THR 22 HN THR 22 -7.913 18.426 -2.547 165 HA THR 22 HA THR 22 -7.741 18.941 -5.423 166 HB THR 22 HB THR 22 -5.698 20.220 -4.887 167 HG1 THR 22 HG1 THR 22 -5.455 18.669 -2.835 168 HG21 THR 22 HG21 THR 22 -7.923 20.853 -2.915 169 HG22 THR 22 HG22 THR 22 -7.832 21.417 -4.587 170 HG23 THR 22 HG23 THR 22 -6.636 21.959 -3.408 171 H ILE 23 HN ILE 23 -6.888 16.375 -3.353 172 HA ILE 23 HA ILE 23 -4.298 15.712 -4.420 173 HB ILE 23 HB ILE 23 -6.283 14.178 -2.680 174 HG12 ILE 23 HG12 ILE 23 -3.550 15.375 -2.052 175 HG13 ILE 23 HG11 ILE 23 -5.096 16.077 -1.595 176 HG21 ILE 23 HG21 ILE 23 -5.108 12.495 -3.990 177 HG22 ILE 23 HG22 ILE 23 -4.525 12.459 -2.328 178 HG23 ILE 23 HG23 ILE 23 -3.554 13.222 -3.583 179 HD11 ILE 23 HD11 ILE 23 -3.961 13.465 -0.593 180 HD12 ILE 23 HD12 ILE 23 -5.529 14.144 -0.137 181 HD13 ILE 23 HD13 ILE 23 -4.038 14.992 0.285 182 H THR 24 HN THR 24 -4.150 15.179 -6.498 183 HA THR 24 HA THR 24 -6.220 13.685 -7.935 184 HB THR 24 HB THR 24 -4.797 14.226 -9.954 185 HG1 THR 24 HG1 THR 24 -2.918 15.321 -9.719 186 HG21 THR 24 HG21 THR 24 -6.582 15.819 -9.305 187 HG22 THR 24 HG22 THR 24 -5.191 16.662 -9.988 188 HG23 THR 24 HG23 THR 24 -5.447 16.660 -8.243 189 HA PRO 25 HA PRO 25 -3.958 9.847 -7.458 190 HB2 PRO 25 HB2 PRO 25 -4.740 8.471 -9.712 191 HB3 PRO 25 HB1 PRO 25 -5.801 8.729 -8.321 192 HG2 PRO 25 HG2 PRO 25 -5.662 10.274 -10.911 193 HG3 PRO 25 HG1 PRO 25 -7.096 9.682 -10.043 194 HD2 PRO 25 HD2 PRO 25 -6.289 12.252 -9.866 195 HD3 PRO 25 HD1 PRO 25 -7.016 11.418 -8.474 196 H GLU 26 HN GLU 26 -3.409 11.946 -10.179 197 HA GLU 26 HA GLU 26 -1.085 10.385 -11.127 198 HB2 GLU 26 HB2 GLU 26 -2.567 12.694 -12.479 199 HB3 GLU 26 HB1 GLU 26 -1.254 11.738 -13.177 200 HG2 GLU 26 HG2 GLU 26 -2.713 9.697 -12.957 201 HG3 GLU 26 HG1 GLU 26 -4.028 10.747 -12.435 202 H SER 27 HN SER 27 -1.467 12.316 -8.726 203 HA SER 27 HA SER 27 0.596 14.319 -9.185 204 HB2 SER 27 HB2 SER 27 -1.309 14.845 -7.704 205 HB3 SER 27 HB1 SER 27 -0.897 13.495 -6.651 206 HG SER 27 HG SER 27 0.095 15.993 -6.685 207 H HIS 28 HN HIS 28 2.682 14.150 -8.537 208 HA HIS 28 HA HIS 28 3.714 11.575 -7.575 209 HB2 HIS 28 HB2 HIS 28 4.633 12.853 -9.625 210 HB3 HIS 28 HB1 HIS 28 5.314 14.007 -8.480 211 HD2 HIS 28 HD2 HIS 28 6.109 10.675 -10.087 212 HE1 HIS 28 HE1 HIS 28 8.893 11.236 -6.960 213 HE2 HIS 28 HE2 HIS 28 8.445 10.071 -9.158 214 H ALA 29 HN ALA 29 4.146 11.379 -5.405 215 HA ALA 29 HA ALA 29 3.704 13.217 -3.437 216 HB1 ALA 29 HB1 ALA 29 4.820 11.622 -1.928 217 HB2 ALA 29 HB2 ALA 29 5.528 10.792 -3.318 218 HB3 ALA 29 HB3 ALA 29 3.779 10.788 -3.084 219 H ILE 30 HN ILE 30 6.718 12.710 -5.218 220 HA ILE 30 HA ILE 30 8.274 14.254 -3.243 221 HB ILE 30 HB ILE 30 9.179 12.630 -5.658 222 HG12 ILE 30 HG12 ILE 30 9.388 12.052 -2.669 223 HG13 ILE 30 HG11 ILE 30 8.396 11.181 -3.839 224 HG21 ILE 30 HG21 ILE 30 11.486 12.961 -4.885 225 HG22 ILE 30 HG22 ILE 30 10.915 14.032 -3.604 226 HG23 ILE 30 HG23 ILE 30 10.725 14.501 -5.297 227 HD11 ILE 30 HD11 ILE 30 11.420 11.242 -3.770 228 HD12 ILE 30 HD12 ILE 30 10.432 10.373 -4.949 229 HD13 ILE 30 HD13 ILE 30 10.377 9.921 -3.248 230 H ASP 31 HN ASP 31 7.348 14.210 -6.665 231 HA ASP 31 HA ASP 31 8.838 16.613 -7.319 232 HB2 ASP 31 HB2 ASP 31 8.847 14.866 -8.974 233 HB3 ASP 31 HB1 ASP 31 7.090 14.733 -8.949 234 H ASP 32 HN ASP 32 5.337 15.719 -7.341 235 HA ASP 32 HA ASP 32 4.574 18.437 -8.063 236 HB2 ASP 32 HB2 ASP 32 3.438 16.464 -9.091 237 HB3 ASP 32 HB1 ASP 32 2.811 16.004 -7.513 238 H LEU 33 HN LEU 33 3.952 16.214 -5.303 239 HA LEU 33 HA LEU 33 2.650 18.206 -3.704 240 HB2 LEU 33 HB2 LEU 33 3.739 15.475 -2.932 241 HB3 LEU 33 HB1 LEU 33 2.733 16.479 -1.898 242 HG LEU 33 HG LEU 33 1.894 15.167 -4.517 243 HD11 LEU 33 HD11 LEU 33 1.031 14.596 -1.661 244 HD12 LEU 33 HD12 LEU 33 2.065 13.586 -2.676 245 HD13 LEU 33 HD13 LEU 33 0.382 13.835 -3.119 246 HD21 LEU 33 HD21 LEU 33 0.252 16.969 -2.702 247 HD22 LEU 33 HD22 LEU 33 -0.368 16.048 -4.077 248 HD23 LEU 33 HD23 LEU 33 0.803 17.336 -4.340 249 H GLY 34 HN GLY 34 5.948 17.377 -4.279 250 HA2 GLY 34 HA2 GLY 34 7.920 18.227 -3.485 251 HA3 GLY 34 HA1 GLY 34 6.977 19.530 -2.785 252 H ILE 35 HN ILE 35 6.980 16.045 -2.076 253 HA ILE 35 HA ILE 35 7.806 16.592 0.731 254 HB ILE 35 HB ILE 35 6.019 14.317 -0.285 255 HG12 ILE 35 HG12 ILE 35 5.181 16.706 1.416 256 HG13 ILE 35 HG11 ILE 35 4.921 16.608 -0.320 257 HG21 ILE 35 HG21 ILE 35 5.653 13.766 2.093 258 HG22 ILE 35 HG22 ILE 35 6.783 15.032 2.571 259 HG23 ILE 35 HG23 ILE 35 7.358 13.632 1.661 260 HD11 ILE 35 HD11 ILE 35 3.459 14.665 0.017 261 HD12 ILE 35 HD12 ILE 35 2.901 16.088 0.895 262 HD13 ILE 35 HD13 ILE 35 3.712 14.788 1.762 263 H ASP 36 HN ASP 36 9.728 15.609 1.266 264 HA ASP 36 HA ASP 36 11.191 14.058 -0.682 265 HB2 ASP 36 HB2 ASP 36 12.280 15.682 0.947 266 HB3 ASP 36 HB1 ASP 36 11.898 14.574 2.255 267 H SER 37 HN SER 37 11.821 11.852 -0.439 268 HA SER 37 HA SER 37 9.733 10.113 0.230 269 HB2 SER 37 HB2 SER 37 11.506 8.311 -0.100 270 HB3 SER 37 HB1 SER 37 11.297 9.447 -1.440 271 H LEU 38 HN LEU 38 12.524 11.155 2.114 272 HA LEU 38 HA LEU 38 12.327 9.162 4.176 273 HB2 LEU 38 HB2 LEU 38 13.741 11.849 4.223 274 HB3 LEU 38 HB1 LEU 38 13.995 10.531 5.363 275 HG LEU 38 HG LEU 38 14.744 10.586 2.410 276 HD11 LEU 38 HD11 LEU 38 17.030 10.294 3.207 277 HD12 LEU 38 HD12 LEU 38 16.473 10.335 4.882 278 HD13 LEU 38 HD13 LEU 38 16.301 11.761 3.852 279 HD21 LEU 38 HD21 LEU 38 14.916 8.207 4.295 280 HD22 LEU 38 HD22 LEU 38 15.611 8.292 2.673 281 HD23 LEU 38 HD23 LEU 38 13.865 8.362 2.882 282 H ASP 39 HN ASP 39 10.973 12.377 3.687 283 HA ASP 39 HA ASP 39 9.617 12.517 6.253 284 HB2 ASP 39 HB2 ASP 39 9.180 14.083 3.655 285 HB3 ASP 39 HB1 ASP 39 8.322 14.404 5.164 286 H PHE 40 HN PHE 40 8.990 11.233 3.070 287 HA PHE 40 HA PHE 40 6.151 10.904 3.332 288 HB2 PHE 40 HB2 PHE 40 7.387 11.181 1.125 289 HB3 PHE 40 HB1 PHE 40 8.016 9.550 1.332 290 HD1 PHE 40 HD1 PHE 40 4.815 11.466 1.150 291 HD2 PHE 40 HD2 PHE 40 6.748 7.711 0.494 292 HE1 PHE 40 HE1 PHE 40 2.769 10.594 0.123 293 HE2 PHE 40 HE2 PHE 40 4.694 6.845 -0.547 294 HZ PHE 40 HZ PHE 40 2.710 8.294 -0.727 295 H LEU 41 HN LEU 41 8.946 9.059 4.299 296 HA LEU 41 HA LEU 41 7.877 6.489 4.705 297 HB2 LEU 41 HB2 LEU 41 9.866 7.992 6.463 298 HB3 LEU 41 HB1 LEU 41 9.550 6.262 6.561 299 HG LEU 41 HG LEU 41 10.832 7.733 4.219 300 HD11 LEU 41 HD11 LEU 41 12.046 5.778 6.202 301 HD12 LEU 41 HD12 LEU 41 12.343 7.516 6.123 302 HD13 LEU 41 HD13 LEU 41 12.861 6.480 4.800 303 HD21 LEU 41 HD21 LEU 41 9.475 5.892 3.372 304 HD22 LEU 41 HD22 LEU 41 10.242 4.768 4.498 305 HD23 LEU 41 HD23 LEU 41 11.189 5.516 3.208 306 H ASP 42 HN ASP 42 7.567 9.450 6.630 307 HA ASP 42 HA ASP 42 6.216 8.336 8.900 308 HB2 ASP 42 HB2 ASP 42 7.444 10.543 8.902 309 HB3 ASP 42 HB1 ASP 42 6.173 11.218 7.883 310 H ILE 43 HN ILE 43 5.149 9.849 5.887 311 HA ILE 43 HA ILE 43 2.353 9.946 6.410 312 HB ILE 43 HB ILE 43 3.787 9.761 3.714 313 HG12 ILE 43 HG12 ILE 43 2.943 12.190 5.354 314 HG13 ILE 43 HG11 ILE 43 4.594 11.694 5.001 315 HG21 ILE 43 HG21 ILE 43 1.399 9.206 3.506 316 HG22 ILE 43 HG22 ILE 43 1.757 10.752 2.739 317 HG23 ILE 43 HG23 ILE 43 0.963 10.717 4.316 318 HD11 ILE 43 HD11 ILE 43 2.569 12.673 2.986 319 HD12 ILE 43 HD12 ILE 43 4.244 12.226 2.646 320 HD13 ILE 43 HD13 ILE 43 3.891 13.607 3.679 321 H ALA 44 HN ALA 44 4.464 7.541 4.897 322 HA ALA 44 HA ALA 44 2.385 5.688 4.182 323 HB1 ALA 44 HB1 ALA 44 4.253 4.236 3.508 324 HB2 ALA 44 HB2 ALA 44 5.401 5.345 4.268 325 HB3 ALA 44 HB3 ALA 44 4.460 5.871 2.869 326 H PHE 45 HN PHE 45 4.330 6.307 6.983 327 HA PHE 45 HA PHE 45 4.120 3.833 8.380 328 HB2 PHE 45 HB2 PHE 45 5.412 6.262 8.821 329 HB3 PHE 45 HB1 PHE 45 4.129 6.367 10.010 330 HD1 PHE 45 HD2 PHE 45 7.062 4.386 8.899 331 HD2 PHE 45 HD1 PHE 45 4.266 5.089 12.056 332 HE1 PHE 45 HE2 PHE 45 8.464 3.085 10.428 333 HE2 PHE 45 HE1 PHE 45 5.674 3.781 13.587 334 HZ PHE 45 HZ PHE 45 7.774 2.772 12.777 335 H ALA 46 HN ALA 46 2.104 6.725 8.210 336 HA ALA 46 HA ALA 46 0.058 5.886 10.028 337 HB1 ALA 46 HB1 ALA 46 -1.261 7.745 9.089 338 HB2 ALA 46 HB2 ALA 46 -0.081 7.925 7.788 339 HB3 ALA 46 HB3 ALA 46 0.391 8.252 9.456 340 H ILE 47 HN ILE 47 0.438 5.677 6.494 341 HA ILE 47 HA ILE 47 -2.026 4.399 5.867 342 HB ILE 47 HB ILE 47 0.624 4.241 4.341 343 HG12 ILE 47 HG12 ILE 47 -1.698 6.181 3.920 344 HG13 ILE 47 HG11 ILE 47 -0.171 6.600 4.688 345 HG21 ILE 47 HG21 ILE 47 -0.757 3.725 2.357 346 HG22 ILE 47 HG22 ILE 47 -2.203 3.688 3.366 347 HG23 ILE 47 HG23 ILE 47 -0.923 2.494 3.607 348 HD11 ILE 47 HD11 ILE 47 -0.528 5.742 1.809 349 HD12 ILE 47 HD12 ILE 47 1.004 6.182 2.573 350 HD13 ILE 47 HD13 ILE 47 -0.271 7.385 2.393 351 H ASP 48 HN ASP 48 1.106 3.211 6.873 352 HA ASP 48 HA ASP 48 1.018 0.487 6.347 353 HB2 ASP 48 HB2 ASP 48 2.966 1.920 7.134 354 HB3 ASP 48 HB1 ASP 48 2.281 1.898 8.745 355 H LYS 49 HN LYS 49 0.206 2.207 9.358 356 HA LYS 49 HA LYS 49 -0.921 0.077 10.816 357 HB2 LYS 49 HB2 LYS 49 -1.496 3.060 10.973 358 HB3 LYS 49 HB1 LYS 49 -2.041 1.889 12.172 359 HG2 LYS 49 HG2 LYS 49 0.290 1.336 12.709 360 HG3 LYS 49 HG1 LYS 49 0.853 2.500 11.499 361 HD2 LYS 49 HD2 LYS 49 -0.184 4.346 12.760 362 HD3 LYS 49 HD1 LYS 49 -0.844 3.203 13.937 363 HE2 LYS 49 HE2 LYS 49 1.181 4.352 14.778 364 HE3 LYS 49 HE1 LYS 49 1.419 2.608 14.660 365 HZ1 LYS 49 HZ1 LYS 49 2.340 4.593 12.654 366 HZ2 LYS 49 HZ2 LYS 49 2.622 2.925 12.613 367 HZ3 LYS 49 HZ3 LYS 49 3.313 3.869 13.832 368 H ALA 50 HN ALA 50 -2.443 2.456 8.651 369 HA ALA 50 HA ALA 50 -5.128 2.012 9.269 370 HB1 ALA 50 HB1 ALA 50 -3.975 2.974 6.635 371 HB2 ALA 50 HB2 ALA 50 -4.326 3.984 8.040 372 HB3 ALA 50 HB3 ALA 50 -5.644 3.187 7.177 373 H PHE 51 HN PHE 51 -3.183 0.578 6.635 374 HA PHE 51 HA PHE 51 -5.367 -1.234 5.885 375 HB2 PHE 51 HB2 PHE 51 -2.670 -0.616 4.619 376 HB3 PHE 51 HB1 PHE 51 -3.744 -1.871 4.017 377 HD1 PHE 51 HD2 PHE 51 -3.358 1.808 4.441 378 HD2 PHE 51 HD1 PHE 51 -5.714 -1.329 2.730 379 HE1 PHE 51 HE2 PHE 51 -4.542 3.444 3.037 380 HE2 PHE 51 HE1 PHE 51 -6.884 0.314 1.335 381 HZ PHE 51 HZ PHE 51 -6.302 2.702 1.472 382 H GLY 52 HN GLY 52 -3.000 -1.319 8.195 383 HA2 GLY 52 HA2 GLY 52 -2.127 -2.953 9.528 384 HA3 GLY 52 HA1 GLY 52 -3.406 -3.986 8.912 385 H ILE 53 HN ILE 53 -0.868 -2.555 6.971 386 HA ILE 53 HA ILE 53 0.466 -5.162 6.584 387 HB ILE 53 HB ILE 53 0.763 -4.445 4.103 388 HG12 ILE 53 HG12 ILE 53 -1.493 -3.081 3.377 389 HG13 ILE 53 HG11 ILE 53 -1.280 -2.391 4.967 390 HG21 ILE 53 HG21 ILE 53 -1.354 -5.482 3.393 391 HG22 ILE 53 HG22 ILE 53 -2.006 -5.283 5.024 392 HG23 ILE 53 HG23 ILE 53 -0.619 -6.343 4.749 393 HD11 ILE 53 HD11 ILE 53 0.721 -2.300 2.725 394 HD12 ILE 53 HD12 ILE 53 0.924 -1.581 4.326 395 HD13 ILE 53 HD13 ILE 53 -0.343 -0.995 3.250 396 H LYS 54 HN LYS 54 2.692 -5.037 6.415 397 HA LYS 54 HA LYS 54 3.962 -2.518 7.053 398 HB2 LYS 54 HB2 LYS 54 4.837 -4.658 8.006 399 HB3 LYS 54 HB1 LYS 54 5.247 -5.202 6.384 400 HG2 LYS 54 HG2 LYS 54 7.268 -4.382 7.439 401 HG3 LYS 54 HG1 LYS 54 6.808 -3.249 6.162 402 HD2 LYS 54 HD2 LYS 54 5.700 -1.828 7.962 403 HD3 LYS 54 HD1 LYS 54 6.412 -2.905 9.165 404 HE2 LYS 54 HE2 LYS 54 7.792 -0.914 8.952 405 HE3 LYS 54 HE1 LYS 54 8.685 -2.284 8.287 406 HZ1 LYS 54 HZ1 LYS 54 8.112 -1.572 6.069 407 HZ2 LYS 54 HZ2 LYS 54 8.807 -0.273 6.900 408 HZ3 LYS 54 HZ3 LYS 54 7.135 -0.326 6.664 409 H LEU 55 HN LEU 55 4.190 -1.011 5.435 410 HA LEU 55 HA LEU 55 4.523 -1.718 2.671 411 HB2 LEU 55 HB2 LEU 55 4.715 0.900 4.215 412 HB3 LEU 55 HB1 LEU 55 5.058 0.809 2.494 413 HG LEU 55 HG LEU 55 2.370 0.065 3.726 414 HD11 LEU 55 HD11 LEU 55 1.516 2.177 2.821 415 HD12 LEU 55 HD12 LEU 55 3.140 2.633 2.295 416 HD13 LEU 55 HD13 LEU 55 2.779 2.470 4.016 417 HD21 LEU 55 HD21 LEU 55 3.191 0.447 0.825 418 HD22 LEU 55 HD22 LEU 55 1.560 0.099 1.408 419 HD23 LEU 55 HD23 LEU 55 2.836 -1.093 1.614 420 HA PRO 56 HA PRO 56 9.115 -1.847 3.075 421 HB2 PRO 56 HB2 PRO 56 9.092 -2.682 0.232 422 HB3 PRO 56 HB1 PRO 56 9.650 -3.585 1.644 423 HG2 PRO 56 HG2 PRO 56 7.416 -4.277 0.247 424 HG3 PRO 56 HG1 PRO 56 7.582 -4.576 1.992 425 HD2 PRO 56 HD2 PRO 56 6.137 -2.318 0.584 426 HD3 PRO 56 HD1 PRO 56 5.598 -3.319 1.954 427 H LEU 57 HN LEU 57 7.846 0.617 2.844 428 HA LEU 57 HA LEU 57 8.055 1.967 0.349 429 HB2 LEU 57 HB2 LEU 57 6.667 2.550 2.544 430 HB3 LEU 57 HB1 LEU 57 8.113 3.386 3.055 431 HG LEU 57 HG LEU 57 6.505 4.976 2.171 432 HD11 LEU 57 HD11 LEU 57 8.802 5.577 1.721 433 HD12 LEU 57 HD12 LEU 57 7.737 6.169 0.451 434 HD13 LEU 57 HD13 LEU 57 8.746 4.745 0.168 435 HD21 LEU 57 HD21 LEU 57 5.206 3.457 0.780 436 HD22 LEU 57 HD22 LEU 57 6.499 3.419 -0.423 437 HD23 LEU 57 HD23 LEU 57 5.630 4.924 -0.099 438 H GLU 58 HN GLU 58 10.083 1.632 3.168 439 HA GLU 58 HA GLU 58 12.137 3.494 2.627 440 HB2 GLU 58 HB2 GLU 58 12.583 0.876 4.139 441 HB3 GLU 58 HB1 GLU 58 13.403 2.411 4.366 442 HG2 GLU 58 HG2 GLU 58 12.040 2.321 6.245 443 HG3 GLU 58 HG1 GLU 58 11.062 3.278 5.138 444 H LYS 59 HN LYS 59 11.784 0.053 1.989 445 HA LYS 59 HA LYS 59 14.302 -0.441 0.770 446 HB2 LYS 59 HB2 LYS 59 12.847 -2.202 1.822 447 HB3 LYS 59 HB1 LYS 59 11.700 -2.021 0.501 448 HG2 LYS 59 HG2 LYS 59 13.380 -2.823 -1.100 449 HG3 LYS 59 HG1 LYS 59 14.576 -2.948 0.199 450 HD2 LYS 59 HD2 LYS 59 13.186 -4.670 1.312 451 HD3 LYS 59 HD1 LYS 59 11.974 -4.526 0.032 452 HE2 LYS 59 HE2 LYS 59 13.697 -5.269 -1.615 453 HE3 LYS 59 HE1 LYS 59 14.828 -5.516 -0.279 454 HZ1 LYS 59 HZ1 LYS 59 13.753 -7.569 -0.898 455 HZ2 LYS 59 HZ2 LYS 59 12.226 -6.890 -0.651 456 HZ3 LYS 59 HZ3 LYS 59 13.268 -7.120 0.659 457 H TRP 60 HN TRP 60 11.082 0.347 -0.514 458 HA TRP 60 HA TRP 60 11.592 0.176 -3.285 459 HB2 TRP 60 HB2 TRP 60 9.618 1.933 -1.755 460 HB3 TRP 60 HB1 TRP 60 9.629 1.771 -3.510 461 HD1 TRP 60 HD1 TRP 60 10.206 -1.584 -3.061 462 HE1 TRP 60 HE1 TRP 60 8.101 -2.985 -2.666 463 HE3 TRP 60 HE3 TRP 60 6.969 2.140 -1.686 464 HZ2 TRP 60 HZ2 TRP 60 5.418 -2.601 -1.891 465 HZ3 TRP 60 HZ3 TRP 60 4.644 1.539 -1.136 466 HH2 TRP 60 HH2 TRP 60 3.889 -0.785 -1.241 467 H THR 61 HN THR 61 11.919 2.801 -0.932 468 HA THR 61 HA THR 61 12.615 4.923 -2.647 469 HB THR 61 HB THR 61 13.377 4.466 0.264 470 HG1 THR 61 HG1 THR 61 11.019 4.773 -0.605 471 HG21 THR 61 HG21 THR 61 14.854 6.168 -0.678 472 HG22 THR 61 HG22 THR 61 13.694 6.921 0.422 473 HG23 THR 61 HG23 THR 61 13.466 7.045 -1.324 474 H GLN 62 HN GLN 62 14.564 2.302 -1.198 475 HA GLN 62 HA GLN 62 17.125 3.524 -1.725 476 HB2 GLN 62 HB2 GLN 62 16.531 0.576 -1.175 477 HB3 GLN 62 HB1 GLN 62 18.098 1.373 -1.062 478 HG2 GLN 62 HG2 GLN 62 15.723 1.612 0.788 479 HG3 GLN 62 HG1 GLN 62 17.361 1.073 1.159 480 HE21 GLN 62 HE21 GLN 62 15.297 3.838 0.644 481 HE22 GLN 62 HE22 GLN 62 16.404 5.024 1.237 482 H GLU 63 HN GLU 63 15.134 0.966 -3.182 483 HA GLU 63 HA GLU 63 16.888 0.338 -5.331 484 HB2 GLU 63 HB2 GLU 63 13.899 -0.165 -5.011 485 HB3 GLU 63 HB1 GLU 63 14.939 -0.917 -6.224 486 HG2 GLU 63 HG2 GLU 63 16.285 -1.953 -4.417 487 HG3 GLU 63 HG1 GLU 63 15.207 -1.243 -3.213 488 H VAL 64 HN VAL 64 14.323 2.688 -4.949 489 HA VAL 64 HA VAL 64 13.963 3.534 -7.604 490 HB VAL 64 HB VAL 64 13.549 4.872 -4.919 491 HG11 VAL 64 HG11 VAL 64 14.361 6.739 -6.285 492 HG12 VAL 64 HG12 VAL 64 12.627 6.910 -6.005 493 HG13 VAL 64 HG13 VAL 64 13.213 6.329 -7.566 494 HG21 VAL 64 HG21 VAL 64 11.642 4.228 -7.202 495 HG22 VAL 64 HG22 VAL 64 11.180 4.917 -5.643 496 HG23 VAL 64 HG23 VAL 64 11.842 3.284 -5.723 497 H ASN 65 HN ASN 65 16.140 4.801 -5.069 498 HA ASN 65 HA ASN 65 17.437 6.637 -6.896 499 HB2 ASN 65 HB2 ASN 65 17.933 6.010 -3.955 500 HB3 ASN 65 HB1 ASN 65 18.846 7.222 -4.863 501 HD21 ASN 65 HD21 ASN 65 15.962 6.557 -3.158 502 HD22 ASN 65 HD22 ASN 65 15.173 8.066 -3.417 503 H ASP 66 HN ASP 66 17.953 3.341 -6.010 504 HA ASP 66 HA ASP 66 20.812 3.277 -6.495 505 HB2 ASP 66 HB2 ASP 66 19.489 1.672 -4.978 506 HB3 ASP 66 HB1 ASP 66 18.872 0.916 -6.439 507 H GLY 67 HN GLY 67 18.184 3.649 -8.543 508 HA2 GLY 67 HA2 GLY 67 17.879 3.501 -10.806 509 HA3 GLY 67 HA1 GLY 67 19.541 2.956 -10.960 510 H LYS 68 HN LYS 68 17.162 1.307 -8.977 511 HA LYS 68 HA LYS 68 17.112 -1.042 -10.760 512 HB2 LYS 68 HB2 LYS 68 16.124 -0.663 -7.900 513 HB3 LYS 68 HB1 LYS 68 15.940 -2.160 -8.814 514 HG2 LYS 68 HG2 LYS 68 18.409 -2.360 -8.939 515 HG3 LYS 68 HG1 LYS 68 18.566 -0.870 -7.997 516 HD2 LYS 68 HD2 LYS 68 17.422 -1.933 -6.093 517 HD3 LYS 68 HD1 LYS 68 17.185 -3.413 -7.027 518 HE2 LYS 68 HE2 LYS 68 19.599 -3.787 -7.101 519 HE3 LYS 68 HE1 LYS 68 19.894 -2.253 -6.276 520 HZ1 LYS 68 HZ1 LYS 68 18.471 -4.601 -5.145 521 HZ2 LYS 68 HZ2 LYS 68 18.675 -3.112 -4.365 522 HZ3 LYS 68 HZ3 LYS 68 20.021 -4.063 -4.734 523 H ALA 69 HN ALA 69 14.977 1.296 -9.185 524 HA ALA 69 HA ALA 69 12.796 0.711 -11.097 525 HB1 ALA 69 HB1 ALA 69 11.140 0.871 -9.260 526 HB2 ALA 69 HB2 ALA 69 12.447 1.012 -8.080 527 HB3 ALA 69 HB3 ALA 69 12.246 -0.480 -9.000 528 H THR 70 HN THR 70 11.259 2.569 -11.268 529 HA THR 70 HA THR 70 12.640 5.128 -11.111 530 HB THR 70 HB THR 70 9.873 4.490 -12.262 531 HG1 THR 70 HG1 THR 70 12.395 4.500 -13.597 532 HG21 THR 70 HG21 THR 70 10.254 6.461 -13.692 533 HG22 THR 70 HG22 THR 70 11.820 6.735 -12.924 534 HG23 THR 70 HG23 THR 70 10.333 6.924 -11.988 535 H THR 71 HN THR 71 11.581 7.054 -10.214 536 HA THR 71 HA THR 71 10.638 6.851 -7.586 537 HB THR 71 HB THR 71 9.971 9.301 -7.859 538 HG1 THR 71 HG1 THR 71 11.213 9.398 -10.356 539 HG21 THR 71 HG21 THR 71 12.754 8.568 -8.822 540 HG22 THR 71 HG22 THR 71 12.251 8.768 -7.144 541 HG23 THR 71 HG23 THR 71 12.269 10.161 -8.228 542 H GLU 72 HN GLU 72 8.789 7.974 -10.431 543 HA GLU 72 HA GLU 72 6.293 8.174 -9.381 544 HB2 GLU 72 HB2 GLU 72 5.471 7.962 -11.773 545 HB3 GLU 72 HB1 GLU 72 6.743 9.134 -11.500 546 HG2 GLU 72 HG2 GLU 72 7.296 8.119 -13.541 547 HG3 GLU 72 HG1 GLU 72 8.372 7.367 -12.371 548 H GLN 73 HN GLN 73 7.786 5.223 -10.412 549 HA GLN 73 HA GLN 73 5.684 3.440 -10.670 550 HB2 GLN 73 HB2 GLN 73 8.045 2.930 -11.186 551 HB3 GLN 73 HB1 GLN 73 8.432 2.924 -9.470 552 HG2 GLN 73 HG2 GLN 73 7.057 0.921 -9.144 553 HG3 GLN 73 HG1 GLN 73 6.572 0.951 -10.840 554 HE21 GLN 73 HE21 GLN 73 7.973 -1.123 -9.312 555 HE22 GLN 73 HE22 GLN 73 9.457 -1.422 -10.141 556 H TYR 74 HN TYR 74 7.081 4.708 -7.697 557 HA TYR 74 HA TYR 74 5.097 3.198 -6.079 558 HB2 TYR 74 HB2 TYR 74 7.833 4.215 -5.190 559 HB3 TYR 74 HB1 TYR 74 6.688 3.309 -4.199 560 HD1 TYR 74 HD2 TYR 74 5.939 0.981 -5.164 561 HD2 TYR 74 HD1 TYR 74 9.513 2.989 -6.339 562 HE1 TYR 74 HE2 TYR 74 6.847 -1.132 -6.006 563 HE2 TYR 74 HE1 TYR 74 10.420 0.878 -7.183 564 HH TYR 74 HH TYR 74 10.127 -1.506 -6.902 565 H PHE 75 HN PHE 75 6.262 6.422 -6.905 566 HA PHE 75 HA PHE 75 5.133 7.559 -4.423 567 HB2 PHE 75 HB2 PHE 75 7.143 8.641 -6.442 568 HB3 PHE 75 HB1 PHE 75 6.450 9.630 -5.158 569 HD1 PHE 75 HD2 PHE 75 6.699 8.720 -2.710 570 HD2 PHE 75 HD1 PHE 75 9.151 7.415 -5.966 571 HE1 PHE 75 HE2 PHE 75 8.407 7.942 -1.124 572 HE2 PHE 75 HE1 PHE 75 10.851 6.642 -4.369 573 HZ PHE 75 HZ PHE 75 10.477 6.887 -1.945 574 H VAL 76 HN VAL 76 4.007 7.050 -7.551 575 HA VAL 76 HA VAL 76 2.502 9.603 -7.666 576 HB VAL 76 HB VAL 76 2.566 7.254 -9.611 577 HG11 VAL 76 HG11 VAL 76 0.251 8.114 -9.508 578 HG12 VAL 76 HG12 VAL 76 1.008 8.524 -11.048 579 HG13 VAL 76 HG13 VAL 76 0.843 9.755 -9.792 580 HG21 VAL 76 HG21 VAL 76 4.485 8.806 -9.718 581 HG22 VAL 76 HG22 VAL 76 3.378 10.157 -9.954 582 HG23 VAL 76 HG23 VAL 76 3.501 8.893 -11.179 583 H LEU 77 HN LEU 77 0.448 9.711 -6.945 584 HA LEU 77 HA LEU 77 -0.158 8.012 -4.828 585 HB2 LEU 77 HB2 LEU 77 -2.009 10.025 -6.145 586 HB3 LEU 77 HB1 LEU 77 -2.139 9.404 -4.502 587 HG LEU 77 HG LEU 77 0.091 11.176 -5.586 588 HD11 LEU 77 HD11 LEU 77 -2.028 11.798 -3.530 589 HD12 LEU 77 HD12 LEU 77 -1.968 12.393 -5.192 590 HD13 LEU 77 HD13 LEU 77 -0.716 12.864 -4.046 591 HD21 LEU 77 HD21 LEU 77 1.002 11.223 -3.286 592 HD22 LEU 77 HD22 LEU 77 1.063 9.611 -3.994 593 HD23 LEU 77 HD23 LEU 77 -0.177 9.999 -2.798 594 H LYS 78 HN LYS 78 -1.277 7.727 -8.156 595 HA LYS 78 HA LYS 78 -3.357 5.783 -7.543 596 HB2 LYS 78 HB2 LYS 78 -3.552 5.437 -9.982 597 HB3 LYS 78 HB1 LYS 78 -3.615 7.140 -9.566 598 HG2 LYS 78 HG2 LYS 78 -1.222 7.363 -10.253 599 HG3 LYS 78 HG1 LYS 78 -1.245 5.674 -10.764 600 HD2 LYS 78 HD2 LYS 78 -2.983 6.199 -12.447 601 HD3 LYS 78 HD1 LYS 78 -3.001 7.887 -11.920 602 HE2 LYS 78 HE2 LYS 78 -0.627 8.111 -12.631 603 HE3 LYS 78 HE1 LYS 78 -0.640 6.425 -13.163 604 HZ1 LYS 78 HZ1 LYS 78 -2.388 8.566 -14.257 605 HZ2 LYS 78 HZ2 LYS 78 -2.311 6.966 -14.787 606 HZ3 LYS 78 HZ3 LYS 78 -0.978 7.981 -14.994 607 H ASN 79 HN ASN 79 0.001 5.688 -8.687 608 HA ASN 79 HA ASN 79 0.246 2.873 -9.065 609 HB2 ASN 79 HB2 ASN 79 2.386 4.971 -8.474 610 HB3 ASN 79 HB1 ASN 79 2.739 3.302 -8.915 611 HD21 ASN 79 HD21 ASN 79 3.880 3.943 -10.745 612 HD22 ASN 79 HD22 ASN 79 3.112 4.579 -12.152 613 H LEU 80 HN LEU 80 1.241 5.009 -6.434 614 HA LEU 80 HA LEU 80 2.075 3.339 -4.444 615 HB2 LEU 80 HB2 LEU 80 2.192 5.808 -4.331 616 HB3 LEU 80 HB1 LEU 80 0.442 5.901 -4.231 617 HG LEU 80 HG LEU 80 0.600 4.635 -2.018 618 HD11 LEU 80 HD11 LEU 80 2.828 3.662 -2.267 619 HD12 LEU 80 HD12 LEU 80 2.711 4.627 -0.799 620 HD13 LEU 80 HD13 LEU 80 3.557 5.271 -2.209 621 HD21 LEU 80 HD21 LEU 80 0.138 7.017 -2.085 622 HD22 LEU 80 HD22 LEU 80 1.866 7.380 -2.142 623 HD23 LEU 80 HD23 LEU 80 1.167 6.625 -0.707 624 H ALA 81 HN ALA 81 -1.277 4.469 -5.080 625 HA ALA 81 HA ALA 81 -2.581 3.137 -2.968 626 HB1 ALA 81 HB1 ALA 81 -3.704 3.834 -5.713 627 HB2 ALA 81 HB2 ALA 81 -3.661 4.905 -4.310 628 HB3 ALA 81 HB3 ALA 81 -4.655 3.447 -4.271 629 H ALA 82 HN ALA 82 -1.700 2.050 -6.224 630 HA ALA 82 HA ALA 82 -3.010 -0.488 -6.106 631 HB1 ALA 82 HB1 ALA 82 -0.757 0.453 -7.919 632 HB2 ALA 82 HB2 ALA 82 -2.482 0.645 -8.239 633 HB3 ALA 82 HB3 ALA 82 -1.775 -0.968 -8.173 634 H ARG 83 HN ARG 83 0.264 0.655 -5.272 635 HA ARG 83 HA ARG 83 1.536 -1.852 -4.873 636 HB2 ARG 83 HB2 ARG 83 2.125 0.730 -3.348 637 HB3 ARG 83 HB1 ARG 83 3.193 -0.657 -3.502 638 HG2 ARG 83 HG2 ARG 83 2.395 1.247 -5.716 639 HG3 ARG 83 HG1 ARG 83 3.941 1.202 -4.882 640 HD2 ARG 83 HD2 ARG 83 4.357 0.126 -6.935 641 HD3 ARG 83 HD1 ARG 83 4.167 -1.194 -5.788 642 HE ARG 83 HE ARG 83 2.112 -1.754 -6.758 643 HH11 ARG 83 HH11 ARG 83 3.550 0.992 -8.448 644 HH12 ARG 83 HH12 ARG 83 2.598 0.752 -9.879 645 HH21 ARG 83 HH21 ARG 83 0.894 -2.050 -8.641 646 HH22 ARG 83 HH22 ARG 83 1.099 -0.976 -9.987 647 H ILE 84 HN ILE 84 -0.211 0.283 -2.693 648 HA ILE 84 HA ILE 84 0.056 -1.239 -0.302 649 HB ILE 84 HB ILE 84 -2.011 0.875 -1.080 650 HG12 ILE 84 HG12 ILE 84 0.535 1.318 0.535 651 HG13 ILE 84 HG11 ILE 84 0.491 1.508 -1.209 652 HG21 ILE 84 HG21 ILE 84 -2.325 1.243 1.350 653 HG22 ILE 84 HG22 ILE 84 -1.232 -0.098 1.698 654 HG23 ILE 84 HG23 ILE 84 -2.768 -0.399 0.882 655 HD11 ILE 84 HD11 ILE 84 0.330 3.615 0.014 656 HD12 ILE 84 HD12 ILE 84 -1.196 3.080 0.719 657 HD13 ILE 84 HD13 ILE 84 -1.063 3.318 -1.024 658 H ASP 85 HN ASP 85 -2.393 -1.004 -2.836 659 HA ASP 85 HA ASP 85 -4.468 -2.555 -1.708 660 HB2 ASP 85 HB2 ASP 85 -4.781 -0.981 -3.581 661 HB3 ASP 85 HB1 ASP 85 -3.785 -1.986 -4.621 662 H GLU 86 HN GLU 86 -1.766 -3.473 -3.832 663 HA GLU 86 HA GLU 86 -2.561 -6.227 -4.109 664 HB2 GLU 86 HB2 GLU 86 -0.458 -6.558 -5.294 665 HB3 GLU 86 HB1 GLU 86 -1.236 -5.095 -5.864 666 HG2 GLU 86 HG2 GLU 86 0.307 -3.782 -4.392 667 HG3 GLU 86 HG1 GLU 86 1.160 -5.277 -4.009 668 H LEU 87 HN LEU 87 -0.529 -4.426 -1.830 669 HA LEU 87 HA LEU 87 0.501 -6.751 -0.479 670 HB2 LEU 87 HB2 LEU 87 0.258 -3.855 0.396 671 HB3 LEU 87 HB1 LEU 87 0.989 -5.096 1.404 672 HG LEU 87 HG LEU 87 2.015 -4.230 -1.331 673 HD11 LEU 87 HD11 LEU 87 3.876 -3.206 -0.145 674 HD12 LEU 87 HD12 LEU 87 3.162 -3.645 1.409 675 HD13 LEU 87 HD13 LEU 87 2.344 -2.492 0.352 676 HD21 LEU 87 HD21 LEU 87 3.234 -6.175 0.660 677 HD22 LEU 87 HD22 LEU 87 3.969 -5.637 -0.852 678 HD23 LEU 87 HD23 LEU 87 2.496 -6.598 -0.887 679 H VAL 88 HN VAL 88 -2.473 -4.871 -0.232 680 HA VAL 88 HA VAL 88 -3.474 -6.124 2.165 681 HB VAL 88 HB VAL 88 -4.929 -4.589 -0.043 682 HG11 VAL 88 HG11 VAL 88 -6.529 -6.109 1.054 683 HG12 VAL 88 HG12 VAL 88 -6.868 -4.438 1.503 684 HG13 VAL 88 HG13 VAL 88 -6.043 -5.507 2.640 685 HG21 VAL 88 HG21 VAL 88 -4.109 -3.718 2.762 686 HG22 VAL 88 HG22 VAL 88 -4.990 -2.733 1.589 687 HG23 VAL 88 HG23 VAL 88 -3.329 -3.222 1.258 688 H ALA 89 HN ALA 89 -3.589 -6.787 -1.291 689 HA ALA 89 HA ALA 89 -5.435 -8.985 -1.213 690 HB1 ALA 89 HB1 ALA 89 -3.337 -8.269 -3.294 691 HB2 ALA 89 HB2 ALA 89 -5.010 -7.710 -3.279 692 HB3 ALA 89 HB3 ALA 89 -4.658 -9.422 -3.515 693 H ALA 90 HN ALA 90 -1.904 -8.647 -1.026 694 HA ALA 90 HA ALA 90 -1.187 -11.391 -0.857 695 HB1 ALA 90 HB1 ALA 90 0.237 -8.971 0.315 696 HB2 ALA 90 HB2 ALA 90 0.448 -9.597 -1.321 697 HB3 ALA 90 HB3 ALA 90 0.945 -10.571 0.064 698 H LYS 91 HN LYS 91 -2.322 -9.037 1.477 699 HA LYS 91 HA LYS 91 -1.993 -10.688 3.849 700 HB2 LYS 91 HB2 LYS 91 -1.876 -8.179 3.936 701 HB3 LYS 91 HB1 LYS 91 -3.548 -8.102 3.402 702 HG2 LYS 91 HG2 LYS 91 -4.096 -9.452 5.556 703 HG3 LYS 91 HG1 LYS 91 -2.468 -9.019 6.080 704 HD2 LYS 91 HD2 LYS 91 -4.130 -7.461 6.995 705 HD3 LYS 91 HD1 LYS 91 -3.043 -6.621 5.887 706 HE2 LYS 91 HE2 LYS 91 -4.754 -6.683 4.119 707 HE3 LYS 91 HE1 LYS 91 -5.828 -7.620 5.160 708 HZ1 LYS 91 HZ1 LYS 91 -6.426 -5.312 5.117 709 HZ2 LYS 91 HZ2 LYS 91 -4.897 -4.867 5.663 710 HZ3 LYS 91 HZ3 LYS 91 -5.924 -5.753 6.668 711 H GLY 92 HN GLY 92 -4.264 -10.285 1.288 712 HA2 GLY 92 HA2 GLY 92 -6.660 -11.234 2.527 713 HA3 GLY 92 HA1 GLY 92 -6.326 -11.141 0.802 714 H ALA 93 HN ALA 93 -3.863 -12.787 1.116 715 HA ALA 93 HA ALA 93 -4.980 -15.486 1.344 716 HB1 ALA 93 HB1 ALA 93 -2.742 -16.227 0.611 717 HB2 ALA 93 HB2 ALA 93 -2.136 -14.574 0.745 718 HB3 ALA 93 HB3 ALA 93 -3.369 -14.970 -0.454 719 H LEU 94 HN LEU 94 -4.159 -13.281 3.513 720 HA LEU 94 HA LEU 94 -3.590 -13.071 5.633 721 HB2 LEU 94 HB2 LEU 94 -4.396 -15.978 5.726 722 HB3 LEU 94 HB1 LEU 94 -4.106 -15.010 7.165 723 HG LEU 94 HG LEU 94 -6.281 -14.481 5.081 724 HD11 LEU 94 HD11 LEU 94 -6.532 -15.523 7.918 725 HD12 LEU 94 HD12 LEU 94 -6.795 -16.441 6.432 726 HD13 LEU 94 HD13 LEU 94 -7.864 -15.104 6.836 727 HD21 LEU 94 HD21 LEU 94 -5.694 -12.997 7.672 728 HD22 LEU 94 HD22 LEU 94 -7.098 -12.741 6.631 729 HD23 LEU 94 HD23 LEU 94 -5.485 -12.373 6.032 730 H GLU 95 HN GLU 95 -1.568 -12.529 5.952 731 HA GLU 95 HA GLU 95 0.756 -14.051 5.656 732 HB2 GLU 95 HB2 GLU 95 0.046 -11.514 7.116 733 HB3 GLU 95 HB1 GLU 95 1.565 -12.285 7.557 734 HG2 GLU 95 HG2 GLU 95 0.785 -11.424 4.750 735 HG3 GLU 95 HG1 GLU 95 1.858 -10.534 5.834 736 H HIS 96 HN HIS 96 1.214 -15.873 6.611 737 HA HIS 96 HA HIS 96 -0.091 -16.844 8.967 738 HB2 HIS 96 HB2 HIS 96 2.294 -18.029 7.483 739 HB3 HIS 96 HB1 HIS 96 1.248 -18.875 8.623 740 HD1 HIS 96 HD1 HIS 96 1.763 -18.696 5.166 741 HD2 HIS 96 HD2 HIS 96 -1.634 -18.603 7.553 742 HE1 HIS 96 HE1 HIS 96 -0.139 -19.318 3.641 743 HE2 HIS 96 HE2 HIS 96 -2.153 -19.413 5.160 744 H HIS 97 HN HIS 97 0.442 -15.334 10.551 745 HA HIS 97 HA HIS 97 3.199 -15.410 11.649 746 HB2 HIS 97 HB2 HIS 97 1.183 -13.104 11.673 747 HB3 HIS 97 HB1 HIS 97 2.693 -13.099 12.580 748 HD1 HIS 97 HD1 HIS 97 2.161 -10.909 10.552 749 HD2 HIS 97 HD2 HIS 97 4.190 -14.406 9.614 750 HE1 HIS 97 HE1 HIS 97 3.590 -10.339 8.572 751 HE2 HIS 97 HE2 HIS 97 4.689 -12.514 7.925 752 H HIS 98 HN HIS 98 0.832 -17.157 12.102 753 HA HIS 98 HA HIS 98 -0.277 -18.262 13.701 754 HB2 HIS 98 HB2 HIS 98 1.610 -16.860 15.645 755 HB3 HIS 98 HB1 HIS 98 0.523 -18.168 16.089 756 HD1 HIS 98 HD1 HIS 98 1.049 -20.537 14.939 757 HD2 HIS 98 HD2 HIS 98 4.051 -17.680 14.678 758 HE1 HIS 98 HE1 HIS 98 3.135 -21.803 14.368 759 HE2 HIS 98 HE2 HIS 98 4.909 -20.041 14.075 760 H HIS 99 HN HIS 99 -2.231 -17.221 13.222 761 HA HIS 99 HA HIS 99 -3.091 -14.932 14.858 762 HB2 HIS 99 HB2 HIS 99 -3.645 -15.010 12.399 763 HB3 HIS 99 HB1 HIS 99 -4.638 -16.430 12.685 764 HD1 HIS 99 HD1 HIS 99 -4.732 -12.782 12.695 765 HD2 HIS 99 HD2 HIS 99 -7.011 -15.858 14.301 766 HE1 HIS 99 HE1 HIS 99 -6.922 -11.726 13.322 767 HE2 HIS 99 HE2 HIS 99 -8.325 -13.637 14.204 768 H HIS 100 HN HIS 100 -3.155 -15.879 16.902 769 HA HIS 100 HA HIS 100 -5.467 -17.690 17.414 770 HB2 HIS 100 HB2 HIS 100 -3.028 -17.167 19.200 771 HB3 HIS 100 HB1 HIS 100 -4.409 -18.168 19.636 772 HD1 HIS 100 HD1 HIS 100 -3.711 -20.529 19.576 773 HD2 HIS 100 HD2 HIS 100 -1.944 -18.359 16.504 774 HE1 HIS 100 HE1 HIS 100 -2.303 -22.179 18.324 775 HE2 HIS 100 HE2 HIS 100 -1.221 -20.844 16.479 776 H HIS 101 HN HIS 101 -3.582 -15.150 19.073 777 HA HIS 101 HA HIS 101 -5.795 -13.287 19.119 778 HB2 HIS 101 HB2 HIS 101 -4.741 -14.566 21.665 779 HB3 HIS 101 HB1 HIS 101 -5.330 -12.911 21.700 780 HD1 HIS 101 HD1 HIS 101 -6.502 -16.164 22.409 781 HD2 HIS 101 HD2 HIS 101 -8.124 -12.888 20.433 782 HE1 HIS 101 HE1 HIS 101 -8.986 -16.531 22.406 783 HE2 HIS 101 HE2 HIS 101 -9.946 -14.540 21.211 784 H282 PNS 102 H282 PNS 102 15.674 9.098 0.505 785 H281 PNS 102 H281 PNS 102 15.878 8.404 -1.111 786 H303 PNS 102 H303 PNS 102 17.337 11.690 -0.053 787 H302 PNS 102 H302 PNS 102 17.477 10.729 1.421 788 H301 PNS 102 H301 PNS 102 18.910 11.067 0.453 789 H313 PNS 102 H313 PNS 102 17.674 10.558 -2.345 790 H312 PNS 102 H312 PNS 102 19.237 9.943 -1.789 791 H311 PNS 102 H311 PNS 102 18.026 8.830 -2.422 792 H32 PNS 102 H32 PNS 102 19.397 8.592 0.373 793 H33 PNS 102 H33 PNS 102 17.105 7.554 1.606 794 H36 PNS 102 H36 PNS 102 19.150 5.166 -0.653 795 H372 PNS 102 H372 PNS 102 20.889 7.103 0.426 796 H371 PNS 102 H371 PNS 102 19.899 6.446 1.737 797 H382 PNS 102 H382 PNS 102 20.628 4.134 0.969 798 H381 PNS 102 H381 PNS 102 21.795 4.939 -0.081 799 H41 PNS 102 H41 PNS 102 20.654 5.284 3.281 800 H422 PNS 102 H422 PNS 102 21.708 5.191 5.314 801 H421 PNS 102 H421 PNS 102 23.165 4.597 4.519 802 H431 PNS 102 H431 PNS 102 22.268 7.491 4.662 803 H432 PNS 102 H432 PNS 102 23.723 6.910 3.842 804 H44 PNS 102 H44 PNS 102 24.904 7.821 6.043 Start of MODEL 16 1 H1 MET 1 HT1 MET 1 -13.643 10.579 -4.726 2 H2 MET 1 HT2 MET 1 -13.023 9.761 -6.071 3 H3 MET 1 HT3 MET 1 -12.190 9.736 -4.604 4 HA MET 1 HA MET 1 -13.795 8.462 -3.549 5 HB2 MET 1 HB2 MET 1 -15.880 7.757 -4.654 6 HB3 MET 1 HB1 MET 1 -15.779 9.510 -4.597 7 HG2 MET 1 HG2 MET 1 -15.135 9.565 -6.959 8 HG3 MET 1 HG1 MET 1 -15.168 7.801 -7.019 9 HE1 MET 1 HE1 MET 1 -16.815 7.818 -9.110 10 HE2 MET 1 HE2 MET 1 -16.756 9.582 -9.120 11 HE3 MET 1 HE3 MET 1 -18.312 8.750 -9.167 12 H THR 2 HN THR 2 -11.374 8.154 -5.334 13 HA THR 2 HA THR 2 -11.742 5.638 -6.723 14 HB THR 2 HB THR 2 -9.093 7.053 -6.161 15 HG1 THR 2 HG1 THR 2 -10.918 7.438 -8.324 16 HG21 THR 2 HG21 THR 2 -8.876 4.731 -7.049 17 HG22 THR 2 HG22 THR 2 -8.314 5.929 -8.217 18 HG23 THR 2 HG23 THR 2 -9.894 5.168 -8.427 19 H SER 3 HN SER 3 -12.568 4.747 -4.630 20 HA SER 3 HA SER 3 -12.407 3.806 -2.519 21 HB2 SER 3 HB2 SER 3 -11.066 1.871 -4.411 22 HB3 SER 3 HB1 SER 3 -11.920 1.445 -2.925 23 HG SER 3 HG SER 3 -13.679 1.477 -4.043 24 H THR 4 HN THR 4 -9.313 2.358 -3.567 25 HA THR 4 HA THR 4 -8.265 2.461 -0.905 26 HB THR 4 HB THR 4 -6.843 1.746 -3.503 27 HG1 THR 4 HG1 THR 4 -8.345 0.214 -3.278 28 HG21 THR 4 HG21 THR 4 -5.210 2.224 -1.722 29 HG22 THR 4 HG22 THR 4 -5.256 0.494 -2.073 30 HG23 THR 4 HG23 THR 4 -6.060 1.126 -0.633 31 H PHE 5 HN PHE 5 -7.406 4.150 -3.963 32 HA PHE 5 HA PHE 5 -5.350 5.793 -2.984 33 HB2 PHE 5 HB2 PHE 5 -5.524 5.833 -5.357 34 HB3 PHE 5 HB1 PHE 5 -7.267 6.101 -5.329 35 HD1 PHE 5 HD1 PHE 5 -4.006 7.811 -4.513 36 HD2 PHE 5 HD2 PHE 5 -8.136 8.325 -5.524 37 HE1 PHE 5 HE1 PHE 5 -3.712 10.250 -4.582 38 HE2 PHE 5 HE2 PHE 5 -7.804 10.754 -5.615 39 HZ PHE 5 HZ PHE 5 -5.600 11.709 -5.134 40 H ASP 6 HN ASP 6 -8.846 6.195 -2.949 41 HA ASP 6 HA ASP 6 -8.956 8.909 -2.188 42 HB2 ASP 6 HB2 ASP 6 -10.832 7.564 -3.205 43 HB3 ASP 6 HB1 ASP 6 -11.024 6.730 -1.665 44 H ARG 7 HN ARG 7 -8.883 5.892 -0.309 45 HA ARG 7 HA ARG 7 -9.029 6.982 2.309 46 HB2 ARG 7 HB2 ARG 7 -7.618 4.446 1.366 47 HB3 ARG 7 HB1 ARG 7 -8.018 4.821 3.039 48 HG2 ARG 7 HG2 ARG 7 -9.992 4.320 0.788 49 HG3 ARG 7 HG1 ARG 7 -9.588 3.207 2.095 50 HD2 ARG 7 HD2 ARG 7 -10.504 4.816 3.730 51 HD3 ARG 7 HD1 ARG 7 -10.937 5.910 2.412 52 HE ARG 7 HE ARG 7 -12.261 3.770 1.633 53 HH11 ARG 7 HH11 ARG 7 -11.989 4.978 4.914 54 HH12 ARG 7 HH12 ARG 7 -13.554 4.408 5.391 55 HH21 ARG 7 HH21 ARG 7 -14.311 3.017 2.248 56 HH22 ARG 7 HH22 ARG 7 -14.887 3.294 3.862 57 H VAL 8 HN VAL 8 -6.275 6.142 0.234 58 HA VAL 8 HA VAL 8 -4.146 6.829 1.952 59 HB VAL 8 HB VAL 8 -4.315 6.719 -1.098 60 HG11 VAL 8 HG11 VAL 8 -2.390 8.152 -0.512 61 HG12 VAL 8 HG12 VAL 8 -1.823 6.600 -1.131 62 HG13 VAL 8 HG13 VAL 8 -1.789 6.922 0.604 63 HG21 VAL 8 HG21 VAL 8 -3.224 4.515 -0.852 64 HG22 VAL 8 HG22 VAL 8 -4.739 4.563 0.049 65 HG23 VAL 8 HG23 VAL 8 -3.203 4.710 0.905 66 H ALA 9 HN ALA 9 -6.039 8.734 -0.286 67 HA ALA 9 HA ALA 9 -4.486 11.096 -0.372 68 HB1 ALA 9 HB1 ALA 9 -6.118 10.507 -2.131 69 HB2 ALA 9 HB2 ALA 9 -6.485 12.087 -1.439 70 HB3 ALA 9 HB3 ALA 9 -7.440 10.677 -0.975 71 H THR 10 HN THR 10 -7.275 10.020 1.531 72 HA THR 10 HA THR 10 -7.659 12.287 3.144 73 HB THR 10 HB THR 10 -8.065 9.368 3.930 74 HG1 THR 10 HG1 THR 10 -9.173 10.575 1.953 75 HG21 THR 10 HG21 THR 10 -9.810 10.225 5.448 76 HG22 THR 10 HG22 THR 10 -9.410 11.883 4.992 77 HG23 THR 10 HG23 THR 10 -8.233 10.895 5.867 78 H ILE 11 HN ILE 11 -5.581 9.420 3.585 79 HA ILE 11 HA ILE 11 -4.544 9.982 6.116 80 HB ILE 11 HB ILE 11 -3.372 8.397 3.795 81 HG12 ILE 11 HG12 ILE 11 -4.731 7.456 6.367 82 HG13 ILE 11 HG11 ILE 11 -5.527 7.568 4.802 83 HG21 ILE 11 HG21 ILE 11 -1.488 9.057 5.191 84 HG22 ILE 11 HG22 ILE 11 -1.813 7.342 5.433 85 HG23 ILE 11 HG23 ILE 11 -2.326 8.516 6.647 86 HD11 ILE 11 HD11 ILE 11 -3.231 5.736 5.504 87 HD12 ILE 11 HD12 ILE 11 -4.017 5.837 3.925 88 HD13 ILE 11 HD13 ILE 11 -4.925 5.283 5.331 89 H ILE 12 HN ILE 12 -3.329 10.973 2.883 90 HA ILE 12 HA ILE 12 -0.911 12.184 3.804 91 HB ILE 12 HB ILE 12 -2.458 12.618 1.205 92 HG12 ILE 12 HG12 ILE 12 -0.034 10.843 1.756 93 HG13 ILE 12 HG11 ILE 12 -1.683 10.261 1.570 94 HG21 ILE 12 HG21 ILE 12 -0.344 13.546 0.275 95 HG22 ILE 12 HG22 ILE 12 0.404 13.432 1.869 96 HG23 ILE 12 HG23 ILE 12 -0.956 14.525 1.611 97 HD11 ILE 12 HD11 ILE 12 -0.393 9.895 -0.438 98 HD12 ILE 12 HD12 ILE 12 -0.029 11.616 -0.552 99 HD13 ILE 12 HD13 ILE 12 -1.690 11.051 -0.750 100 H ALA 13 HN ALA 13 -4.108 13.462 2.885 101 HA ALA 13 HA ALA 13 -3.779 16.171 3.311 102 HB1 ALA 13 HB1 ALA 13 -6.273 14.512 3.827 103 HB2 ALA 13 HB2 ALA 13 -5.768 15.169 2.267 104 HB3 ALA 13 HB3 ALA 13 -6.232 16.262 3.574 105 H GLU 14 HN GLU 14 -4.813 13.732 5.696 106 HA GLU 14 HA GLU 14 -5.142 15.531 7.875 107 HB2 GLU 14 HB2 GLU 14 -4.787 12.509 7.863 108 HB3 GLU 14 HB1 GLU 14 -5.279 13.452 9.268 109 HG2 GLU 14 HG2 GLU 14 -6.829 13.048 6.692 110 HG3 GLU 14 HG1 GLU 14 -7.228 12.411 8.284 111 H THR 15 HN THR 15 -2.379 13.697 6.676 112 HA THR 15 HA THR 15 -0.787 13.952 9.074 113 HB THR 15 HB THR 15 0.051 13.119 6.252 114 HG1 THR 15 HG1 THR 15 -0.818 11.279 6.799 115 HG21 THR 15 HG21 THR 15 2.038 12.114 7.334 116 HG22 THR 15 HG22 THR 15 1.545 12.789 8.889 117 HG23 THR 15 HG23 THR 15 2.013 13.863 7.567 118 H CYS 16 HN CYS 16 -0.985 15.663 5.937 119 HA CYS 16 HA CYS 16 1.517 17.117 6.565 120 HB2 CYS 16 HB2 CYS 16 0.383 16.329 3.849 121 HB3 CYS 16 HB1 CYS 16 1.928 17.132 4.134 122 HG CYS 16 HG CYS 16 3.201 15.028 5.240 123 H ASP 17 HN ASP 17 -1.815 17.612 6.272 124 HA ASP 17 HA ASP 17 -3.186 19.374 6.013 125 HB2 ASP 17 HB2 ASP 17 -1.627 20.360 7.714 126 HB3 ASP 17 HB1 ASP 17 -0.671 21.055 6.418 127 H ILE 18 HN ILE 18 -2.174 18.148 3.659 128 HA ILE 18 HA ILE 18 -2.190 20.341 1.654 129 HB ILE 18 HB ILE 18 -1.410 17.408 1.434 130 HG12 ILE 18 HG12 ILE 18 0.591 18.275 0.230 131 HG13 ILE 18 HG11 ILE 18 -0.023 19.911 0.373 132 HG21 ILE 18 HG21 ILE 18 -1.381 17.558 -1.051 133 HG22 ILE 18 HG22 ILE 18 -2.176 19.132 -0.951 134 HG23 ILE 18 HG23 ILE 18 -3.009 17.683 -0.385 135 HD11 ILE 18 HD11 ILE 18 0.883 18.144 2.620 136 HD12 ILE 18 HD12 ILE 18 0.259 19.785 2.792 137 HD13 ILE 18 HD13 ILE 18 1.759 19.497 1.912 138 HA PRO 19 HA PRO 19 -6.601 19.599 1.631 139 HB2 PRO 19 HB2 PRO 19 -7.296 20.888 -0.737 140 HB3 PRO 19 HB1 PRO 19 -7.002 21.703 0.802 141 HG2 PRO 19 HG2 PRO 19 -5.203 21.425 -1.569 142 HG3 PRO 19 HG1 PRO 19 -5.376 22.786 -0.445 143 HD2 PRO 19 HD2 PRO 19 -3.294 20.976 -0.358 144 HD3 PRO 19 HD1 PRO 19 -3.852 21.881 1.060 145 H ARG 20 HN ARG 20 -7.709 17.870 1.130 146 HA ARG 20 HA ARG 20 -7.049 15.688 -0.361 147 HB2 ARG 20 HB2 ARG 20 -8.800 15.712 1.329 148 HB3 ARG 20 HB1 ARG 20 -9.789 16.787 0.356 149 HG2 ARG 20 HG2 ARG 20 -10.828 14.724 0.119 150 HG3 ARG 20 HG1 ARG 20 -9.890 14.862 -1.363 151 HD2 ARG 20 HD2 ARG 20 -8.357 13.207 -0.687 152 HD3 ARG 20 HD1 ARG 20 -8.766 13.371 1.025 153 HE ARG 20 HE ARG 20 -10.103 11.728 -0.942 154 HH11 ARG 20 HH11 ARG 20 -10.448 13.324 2.185 155 HH12 ARG 20 HH12 ARG 20 -11.891 12.452 2.592 156 HH21 ARG 20 HH21 ARG 20 -12.018 10.628 -0.353 157 HH22 ARG 20 HH22 ARG 20 -12.748 10.935 1.185 158 H GLU 21 HN GLU 21 -8.781 18.562 -1.500 159 HA GLU 21 HA GLU 21 -9.858 17.461 -3.885 160 HB2 GLU 21 HB2 GLU 21 -10.421 19.819 -4.450 161 HB3 GLU 21 HB1 GLU 21 -10.893 19.380 -2.813 162 HG2 GLU 21 HG2 GLU 21 -8.827 20.519 -1.964 163 HG3 GLU 21 HG1 GLU 21 -8.504 21.079 -3.607 164 H THR 22 HN THR 22 -6.768 18.976 -3.112 165 HA THR 22 HA THR 22 -5.986 19.215 -5.936 166 HB THR 22 HB THR 22 -3.859 20.193 -5.035 167 HG1 THR 22 HG1 THR 22 -4.419 18.969 -2.846 168 HG21 THR 22 HG21 THR 22 -6.379 21.468 -3.901 169 HG22 THR 22 HG22 THR 22 -5.736 21.710 -5.529 170 HG23 THR 22 HG23 THR 22 -4.829 22.277 -4.128 171 H ILE 23 HN ILE 23 -6.161 16.650 -3.892 172 HA ILE 23 HA ILE 23 -3.574 15.432 -4.586 173 HB ILE 23 HB ILE 23 -5.814 14.474 -2.726 174 HG12 ILE 23 HG12 ILE 23 -3.070 15.632 -2.044 175 HG13 ILE 23 HG11 ILE 23 -4.606 16.466 -1.841 176 HG21 ILE 23 HG21 ILE 23 -3.049 13.279 -3.131 177 HG22 ILE 23 HG22 ILE 23 -4.562 12.581 -3.704 178 HG23 ILE 23 HG23 ILE 23 -4.263 12.725 -1.975 179 HD11 ILE 23 HD11 ILE 23 -3.801 15.670 0.280 180 HD12 ILE 23 HD12 ILE 23 -3.664 14.025 -0.336 181 HD13 ILE 23 HD13 ILE 23 -5.256 14.767 -0.152 182 H THR 24 HN THR 24 -3.859 14.980 -6.758 183 HA THR 24 HA THR 24 -6.156 13.420 -7.715 184 HB THR 24 HB THR 24 -4.982 13.670 -9.968 185 HG1 THR 24 HG1 THR 24 -3.321 15.502 -9.799 186 HG21 THR 24 HG21 THR 24 -5.550 16.283 -8.513 187 HG22 THR 24 HG22 THR 24 -6.754 15.271 -9.317 188 HG23 THR 24 HG23 THR 24 -5.494 16.066 -10.265 189 HA PRO 25 HA PRO 25 -3.989 9.443 -7.538 190 HB2 PRO 25 HB2 PRO 25 -5.040 8.810 -10.279 191 HB3 PRO 25 HB1 PRO 25 -5.248 7.925 -8.760 192 HG2 PRO 25 HG2 PRO 25 -7.278 9.337 -9.798 193 HG3 PRO 25 HG1 PRO 25 -7.004 9.294 -8.042 194 HD2 PRO 25 HD2 PRO 25 -6.287 11.469 -10.016 195 HD3 PRO 25 HD1 PRO 25 -7.008 11.610 -8.394 196 H GLU 26 HN GLU 26 -3.524 11.667 -10.187 197 HA GLU 26 HA GLU 26 -1.188 10.260 -11.278 198 HB2 GLU 26 HB2 GLU 26 -1.307 11.993 -13.073 199 HB3 GLU 26 HB1 GLU 26 -2.812 11.097 -12.900 200 HG2 GLU 26 HG2 GLU 26 -3.753 12.998 -11.574 201 HG3 GLU 26 HG1 GLU 26 -2.274 13.906 -11.884 202 H SER 27 HN SER 27 -1.698 12.142 -8.703 203 HA SER 27 HA SER 27 0.287 14.222 -9.019 204 HB2 SER 27 HB2 SER 27 -1.576 14.685 -7.527 205 HB3 SER 27 HB1 SER 27 -1.271 13.219 -6.596 206 HG SER 27 HG SER 27 -0.281 15.642 -6.213 207 H HIS 28 HN HIS 28 2.382 14.132 -8.396 208 HA HIS 28 HA HIS 28 3.511 11.604 -7.398 209 HB2 HIS 28 HB2 HIS 28 4.419 12.883 -9.450 210 HB3 HIS 28 HB1 HIS 28 5.016 14.090 -8.324 211 HD2 HIS 28 HD2 HIS 28 5.922 10.627 -9.728 212 HE1 HIS 28 HE1 HIS 28 8.904 11.739 -6.961 213 HE2 HIS 28 HE2 HIS 28 8.354 10.288 -8.951 214 H ALA 29 HN ALA 29 3.786 11.446 -5.223 215 HA ALA 29 HA ALA 29 3.284 13.236 -3.260 216 HB1 ALA 29 HB1 ALA 29 3.540 10.812 -2.924 217 HB2 ALA 29 HB2 ALA 29 4.493 11.717 -1.748 218 HB3 ALA 29 HB3 ALA 29 5.288 10.954 -3.131 219 H ILE 30 HN ILE 30 6.339 12.988 -5.065 220 HA ILE 30 HA ILE 30 7.780 14.649 -3.094 221 HB ILE 30 HB ILE 30 8.767 13.111 -5.534 222 HG12 ILE 30 HG12 ILE 30 9.122 12.633 -2.543 223 HG13 ILE 30 HG11 ILE 30 8.258 11.610 -3.686 224 HG21 ILE 30 HG21 ILE 30 10.428 14.781 -3.614 225 HG22 ILE 30 HG22 ILE 30 10.124 15.141 -5.317 226 HG23 ILE 30 HG23 ILE 30 11.071 13.718 -4.872 227 HD11 ILE 30 HD11 ILE 30 11.237 12.075 -3.591 228 HD12 ILE 30 HD12 ILE 30 10.397 11.081 -4.786 229 HD13 ILE 30 HD13 ILE 30 10.366 10.626 -3.082 230 H ASP 31 HN ASP 31 6.930 14.516 -6.562 231 HA ASP 31 HA ASP 31 8.171 17.012 -7.230 232 HB2 ASP 31 HB2 ASP 31 7.927 15.132 -8.858 233 HB3 ASP 31 HB1 ASP 31 6.182 15.357 -8.850 234 H ASP 32 HN ASP 32 4.746 15.987 -7.029 235 HA ASP 32 HA ASP 32 3.764 18.665 -7.565 236 HB2 ASP 32 HB2 ASP 32 2.616 16.658 -8.495 237 HB3 ASP 32 HB1 ASP 32 2.247 16.106 -6.864 238 H LEU 33 HN LEU 33 3.202 16.311 -4.909 239 HA LEU 33 HA LEU 33 1.911 18.183 -3.204 240 HB2 LEU 33 HB2 LEU 33 3.126 15.478 -2.526 241 HB3 LEU 33 HB1 LEU 33 2.044 16.386 -1.479 242 HG LEU 33 HG LEU 33 1.325 15.136 -4.165 243 HD11 LEU 33 HD11 LEU 33 1.567 13.483 -2.401 244 HD12 LEU 33 HD12 LEU 33 -0.129 13.665 -2.830 245 HD13 LEU 33 HD13 LEU 33 0.483 14.393 -1.344 246 HD21 LEU 33 HD21 LEU 33 0.074 17.226 -3.892 247 HD22 LEU 33 HD22 LEU 33 -0.457 16.730 -2.284 248 HD23 LEU 33 HD23 LEU 33 -1.005 15.841 -3.709 249 H GLY 34 HN GLY 34 5.268 17.502 -3.715 250 HA2 GLY 34 HA2 GLY 34 7.176 18.447 -2.868 251 HA3 GLY 34 HA1 GLY 34 6.159 19.600 -2.014 252 H ILE 35 HN ILE 35 6.440 16.070 -1.756 253 HA ILE 35 HA ILE 35 7.127 16.303 1.121 254 HB ILE 35 HB ILE 35 5.315 14.213 -0.199 255 HG12 ILE 35 HG12 ILE 35 4.556 16.408 1.787 256 HG13 ILE 35 HG11 ILE 35 4.226 16.466 0.058 257 HG21 ILE 35 HG21 ILE 35 4.928 13.331 2.069 258 HG22 ILE 35 HG22 ILE 35 6.062 14.503 2.738 259 HG23 ILE 35 HG23 ILE 35 6.639 13.247 1.642 260 HD11 ILE 35 HD11 ILE 35 3.083 14.494 2.035 261 HD12 ILE 35 HD12 ILE 35 2.766 14.490 0.297 262 HD13 ILE 35 HD13 ILE 35 2.241 15.851 1.289 263 H ASP 36 HN ASP 36 9.087 15.350 1.545 264 HA ASP 36 HA ASP 36 10.459 13.761 -0.477 265 HB2 ASP 36 HB2 ASP 36 11.338 14.411 2.375 266 HB3 ASP 36 HB1 ASP 36 12.363 13.766 1.095 267 H SER 37 HN SER 37 11.452 11.626 0.156 268 HA SER 37 HA SER 37 9.556 9.747 1.057 269 HB2 SER 37 HB2 SER 37 11.581 8.178 1.102 270 HB3 SER 37 HB1 SER 37 11.267 9.003 -0.430 271 H LEU 38 HN LEU 38 12.064 11.512 2.784 272 HA LEU 38 HA LEU 38 12.085 10.014 5.204 273 HB2 LEU 38 HB2 LEU 38 12.832 12.917 4.698 274 HB3 LEU 38 HB1 LEU 38 13.142 12.065 6.205 275 HG LEU 38 HG LEU 38 14.346 11.371 3.497 276 HD11 LEU 38 HD11 LEU 38 15.640 12.601 5.949 277 HD12 LEU 38 HD12 LEU 38 15.301 13.409 4.412 278 HD13 LEU 38 HD13 LEU 38 16.473 12.095 4.473 279 HD21 LEU 38 HD21 LEU 38 15.730 9.735 4.717 280 HD22 LEU 38 HD22 LEU 38 14.020 9.337 4.808 281 HD23 LEU 38 HD23 LEU 38 14.828 10.066 6.197 282 H ASP 39 HN ASP 39 10.120 12.763 4.115 283 HA ASP 39 HA ASP 39 8.555 13.019 6.535 284 HB2 ASP 39 HB2 ASP 39 7.940 13.942 3.686 285 HB3 ASP 39 HB1 ASP 39 7.055 14.433 5.129 286 H PHE 40 HN PHE 40 8.396 11.280 3.533 287 HA PHE 40 HA PHE 40 5.651 10.535 3.597 288 HB2 PHE 40 HB2 PHE 40 7.050 10.754 1.509 289 HB3 PHE 40 HB1 PHE 40 7.927 9.304 1.984 290 HD1 PHE 40 HD1 PHE 40 4.459 10.526 1.265 291 HD2 PHE 40 HD2 PHE 40 7.148 7.198 1.244 292 HE1 PHE 40 HE1 PHE 40 2.760 9.153 0.143 293 HE2 PHE 40 HE2 PHE 40 5.441 5.832 0.122 294 HZ PHE 40 HZ PHE 40 3.256 6.812 -0.426 295 H LEU 41 HN LEU 41 8.534 9.257 5.085 296 HA LEU 41 HA LEU 41 7.906 6.604 5.639 297 HB2 LEU 41 HB2 LEU 41 9.193 8.659 7.479 298 HB3 LEU 41 HB1 LEU 41 9.170 6.931 7.800 299 HG LEU 41 HG LEU 41 10.573 8.275 5.459 300 HD11 LEU 41 HD11 LEU 41 11.698 8.725 7.573 301 HD12 LEU 41 HD12 LEU 41 12.654 7.627 6.580 302 HD13 LEU 41 HD13 LEU 41 11.733 6.999 7.951 303 HD21 LEU 41 HD21 LEU 41 10.515 5.343 6.252 304 HD22 LEU 41 HD22 LEU 41 11.529 6.045 4.987 305 HD23 LEU 41 HD23 LEU 41 9.776 6.055 4.818 306 H ASP 42 HN ASP 42 7.001 9.497 7.580 307 HA ASP 42 HA ASP 42 5.414 8.151 9.501 308 HB2 ASP 42 HB2 ASP 42 6.355 10.415 9.864 309 HB3 ASP 42 HB1 ASP 42 5.292 11.072 8.624 310 H ILE 43 HN ILE 43 4.586 9.699 6.414 311 HA ILE 43 HA ILE 43 1.768 9.374 6.492 312 HB ILE 43 HB ILE 43 3.564 9.314 4.018 313 HG12 ILE 43 HG12 ILE 43 2.244 11.710 5.378 314 HG13 ILE 43 HG11 ILE 43 3.971 11.363 5.350 315 HG21 ILE 43 HG21 ILE 43 1.270 8.506 3.547 316 HG22 ILE 43 HG22 ILE 43 1.562 10.056 2.765 317 HG23 ILE 43 HG23 ILE 43 0.596 9.987 4.238 318 HD11 ILE 43 HD11 ILE 43 3.431 13.084 3.764 319 HD12 ILE 43 HD12 ILE 43 2.242 12.048 2.979 320 HD13 ILE 43 HD13 ILE 43 3.958 11.639 2.904 321 H ALA 44 HN ALA 44 4.411 7.219 5.517 322 HA ALA 44 HA ALA 44 2.722 5.242 4.253 323 HB1 ALA 44 HB1 ALA 44 4.831 3.998 3.908 324 HB2 ALA 44 HB2 ALA 44 5.696 5.155 4.928 325 HB3 ALA 44 HB3 ALA 44 4.997 5.680 3.395 326 H PHE 45 HN PHE 45 4.111 5.826 7.414 327 HA PHE 45 HA PHE 45 3.544 3.216 8.507 328 HB2 PHE 45 HB2 PHE 45 4.424 5.858 9.709 329 HB3 PHE 45 HB1 PHE 45 3.798 4.603 10.772 330 HD1 PHE 45 HD1 PHE 45 4.864 2.212 10.500 331 HD2 PHE 45 HD2 PHE 45 6.756 5.822 9.201 332 HE1 PHE 45 HE1 PHE 45 7.046 1.096 10.547 333 HE2 PHE 45 HE2 PHE 45 8.934 4.689 9.251 334 HZ PHE 45 HZ PHE 45 9.088 2.325 9.924 335 H ALA 46 HN ALA 46 1.828 6.285 8.211 336 HA ALA 46 HA ALA 46 -0.422 5.557 9.829 337 HB1 ALA 46 HB1 ALA 46 -1.571 7.436 8.708 338 HB2 ALA 46 HB2 ALA 46 -0.234 7.563 7.557 339 HB3 ALA 46 HB3 ALA 46 0.037 7.891 9.269 340 H ILE 47 HN ILE 47 0.325 5.285 6.351 341 HA ILE 47 HA ILE 47 -2.100 4.051 5.509 342 HB ILE 47 HB ILE 47 0.697 3.889 4.288 343 HG12 ILE 47 HG12 ILE 47 -1.640 5.693 3.486 344 HG13 ILE 47 HG11 ILE 47 -0.255 6.220 4.431 345 HG21 ILE 47 HG21 ILE 47 -0.425 3.198 2.204 346 HG22 ILE 47 HG22 ILE 47 -1.979 3.169 3.031 347 HG23 ILE 47 HG23 ILE 47 -0.710 2.031 3.494 348 HD11 ILE 47 HD11 ILE 47 -0.152 5.213 1.585 349 HD12 ILE 47 HD12 ILE 47 1.225 5.778 2.535 350 HD13 ILE 47 HD13 ILE 47 -0.065 6.897 2.104 351 H ASP 48 HN ASP 48 1.022 2.806 6.572 352 HA ASP 48 HA ASP 48 0.895 0.087 6.186 353 HB2 ASP 48 HB2 ASP 48 2.842 1.431 7.005 354 HB3 ASP 48 HB1 ASP 48 2.049 1.636 8.549 355 H LYS 49 HN LYS 49 -0.021 1.861 9.101 356 HA LYS 49 HA LYS 49 -1.037 -0.446 10.485 357 HB2 LYS 49 HB2 LYS 49 -1.084 2.512 11.203 358 HB3 LYS 49 HB1 LYS 49 -1.451 1.189 12.313 359 HG2 LYS 49 HG2 LYS 49 0.808 0.392 12.283 360 HG3 LYS 49 HG1 LYS 49 1.218 1.392 10.883 361 HD2 LYS 49 HD2 LYS 49 0.841 3.434 12.336 362 HD3 LYS 49 HD1 LYS 49 0.656 2.347 13.718 363 HE2 LYS 49 HE2 LYS 49 3.145 2.529 11.974 364 HE3 LYS 49 HE1 LYS 49 2.941 3.326 13.536 365 HZ1 LYS 49 HZ1 LYS 49 2.890 0.396 13.075 366 HZ2 LYS 49 HZ2 LYS 49 2.685 1.160 14.566 367 HZ3 LYS 49 HZ3 LYS 49 4.164 1.272 13.757 368 H ALA 50 HN ALA 50 -2.519 2.332 8.775 369 HA ALA 50 HA ALA 50 -5.200 1.932 9.503 370 HB1 ALA 50 HB1 ALA 50 -4.440 3.940 8.294 371 HB2 ALA 50 HB2 ALA 50 -5.797 3.178 7.464 372 HB3 ALA 50 HB3 ALA 50 -4.153 2.973 6.845 373 H PHE 51 HN PHE 51 -3.430 0.681 6.664 374 HA PHE 51 HA PHE 51 -5.628 -1.048 5.874 375 HB2 PHE 51 HB2 PHE 51 -2.873 -0.518 4.695 376 HB3 PHE 51 HB1 PHE 51 -3.959 -1.737 4.042 377 HD1 PHE 51 HD2 PHE 51 -3.595 1.945 4.619 378 HD2 PHE 51 HD1 PHE 51 -5.765 -1.135 2.589 379 HE1 PHE 51 HE2 PHE 51 -4.665 3.632 3.177 380 HE2 PHE 51 HE1 PHE 51 -6.828 0.555 1.162 381 HZ PHE 51 HZ PHE 51 -6.279 2.936 1.440 382 H GLY 52 HN GLY 52 -3.300 -1.356 8.241 383 HA2 GLY 52 HA2 GLY 52 -2.607 -3.095 9.545 384 HA3 GLY 52 HA1 GLY 52 -3.927 -4.017 8.844 385 H ILE 53 HN ILE 53 -1.235 -2.695 7.027 386 HA ILE 53 HA ILE 53 -0.141 -5.398 6.496 387 HB ILE 53 HB ILE 53 0.313 -4.526 4.109 388 HG12 ILE 53 HG12 ILE 53 -1.519 -2.740 3.368 389 HG13 ILE 53 HG11 ILE 53 -1.553 -2.301 5.062 390 HG21 ILE 53 HG21 ILE 53 -1.947 -5.104 3.299 391 HG22 ILE 53 HG22 ILE 53 -2.580 -4.936 4.939 392 HG23 ILE 53 HG23 ILE 53 -1.402 -6.201 4.574 393 HD11 ILE 53 HD11 ILE 53 0.867 -2.157 3.281 394 HD12 ILE 53 HD12 ILE 53 0.762 -1.628 4.962 395 HD13 ILE 53 HD13 ILE 53 -0.186 -0.815 3.719 396 H LYS 54 HN LYS 54 2.123 -4.982 5.225 397 HA LYS 54 HA LYS 54 3.546 -2.781 6.601 398 HB2 LYS 54 HB2 LYS 54 5.552 -4.090 6.833 399 HB3 LYS 54 HB1 LYS 54 4.231 -4.992 7.547 400 HG2 LYS 54 HG2 LYS 54 5.354 -5.574 4.791 401 HG3 LYS 54 HG1 LYS 54 5.945 -6.340 6.266 402 HD2 LYS 54 HD2 LYS 54 3.651 -7.283 6.649 403 HD3 LYS 54 HD1 LYS 54 3.124 -6.573 5.119 404 HE2 LYS 54 HE2 LYS 54 4.769 -7.965 3.907 405 HE3 LYS 54 HE1 LYS 54 5.333 -8.641 5.437 406 HZ1 LYS 54 HZ1 LYS 54 2.578 -8.910 4.393 407 HZ2 LYS 54 HZ2 LYS 54 3.210 -9.642 5.779 408 HZ3 LYS 54 HZ3 LYS 54 3.781 -10.085 4.252 409 H LEU 55 HN LEU 55 4.171 -1.228 5.201 410 HA LEU 55 HA LEU 55 4.598 -1.783 2.382 411 HB2 LEU 55 HB2 LEU 55 4.924 0.772 4.012 412 HB3 LEU 55 HB1 LEU 55 5.073 0.669 2.264 413 HG LEU 55 HG LEU 55 2.514 0.180 3.849 414 HD11 LEU 55 HD11 LEU 55 3.141 2.546 3.854 415 HD12 LEU 55 HD12 LEU 55 1.715 2.279 2.860 416 HD13 LEU 55 HD13 LEU 55 3.282 2.536 2.094 417 HD21 LEU 55 HD21 LEU 55 1.373 0.111 1.664 418 HD22 LEU 55 HD22 LEU 55 2.552 -1.185 1.811 419 HD23 LEU 55 HD23 LEU 55 2.929 0.235 0.835 420 HA PRO 56 HA PRO 56 9.107 -2.263 3.289 421 HB2 PRO 56 HB2 PRO 56 9.840 -3.230 0.846 422 HB3 PRO 56 HB1 PRO 56 9.078 -4.257 2.069 423 HG2 PRO 56 HG2 PRO 56 7.817 -2.873 -0.301 424 HG3 PRO 56 HG1 PRO 56 7.601 -4.549 0.254 425 HD2 PRO 56 HD2 PRO 56 5.797 -2.593 0.841 426 HD3 PRO 56 HD1 PRO 56 6.128 -3.932 1.961 427 H LEU 57 HN LEU 57 8.654 0.182 3.315 428 HA LEU 57 HA LEU 57 8.871 1.828 1.020 429 HB2 LEU 57 HB2 LEU 57 7.908 2.312 3.442 430 HB3 LEU 57 HB1 LEU 57 9.546 2.771 3.835 431 HG LEU 57 HG LEU 57 8.078 4.722 3.343 432 HD11 LEU 57 HD11 LEU 57 9.519 5.975 1.841 433 HD12 LEU 57 HD12 LEU 57 10.273 4.483 1.274 434 HD13 LEU 57 HD13 LEU 57 10.479 4.994 2.949 435 HD21 LEU 57 HD21 LEU 57 7.261 5.168 1.081 436 HD22 LEU 57 HD22 LEU 57 6.585 3.674 1.722 437 HD23 LEU 57 HD23 LEU 57 7.887 3.611 0.531 438 H GLU 58 HN GLU 58 11.181 0.594 3.371 439 HA GLU 58 HA GLU 58 13.458 2.178 2.721 440 HB2 GLU 58 HB2 GLU 58 13.382 -0.644 3.888 441 HB3 GLU 58 HB1 GLU 58 14.708 0.511 4.036 442 HG2 GLU 58 HG2 GLU 58 13.360 1.951 5.439 443 HG3 GLU 58 HG1 GLU 58 11.938 0.941 5.192 444 H LYS 59 HN LYS 59 12.375 -1.035 1.713 445 HA LYS 59 HA LYS 59 14.465 -1.734 -0.030 446 HB2 LYS 59 HB2 LYS 59 12.862 -3.327 0.929 447 HB3 LYS 59 HB1 LYS 59 11.542 -2.582 0.049 448 HG2 LYS 59 HG2 LYS 59 13.753 -3.607 -1.658 449 HG3 LYS 59 HG1 LYS 59 12.894 -4.837 -0.745 450 HD2 LYS 59 HD2 LYS 59 10.734 -3.964 -1.713 451 HD3 LYS 59 HD1 LYS 59 11.684 -2.865 -2.720 452 HE2 LYS 59 HE2 LYS 59 12.834 -4.872 -3.704 453 HE3 LYS 59 HE1 LYS 59 11.728 -5.905 -2.788 454 HZ1 LYS 59 HZ1 LYS 59 10.984 -3.908 -4.855 455 HZ2 LYS 59 HZ2 LYS 59 9.882 -4.827 -3.959 456 HZ3 LYS 59 HZ3 LYS 59 10.946 -5.589 -5.024 457 H TRP 60 HN TRP 60 11.336 -0.154 -0.618 458 HA TRP 60 HA TRP 60 11.522 0.253 -3.400 459 HB2 TRP 60 HB2 TRP 60 10.023 1.810 -1.255 460 HB3 TRP 60 HB1 TRP 60 9.836 2.113 -2.980 461 HD1 TRP 60 HD1 TRP 60 9.837 -1.172 -3.665 462 HE1 TRP 60 HE1 TRP 60 7.593 -2.366 -3.330 463 HE3 TRP 60 HE3 TRP 60 7.614 2.113 -0.439 464 HZ2 TRP 60 HZ2 TRP 60 5.210 -1.992 -1.913 465 HZ3 TRP 60 HZ3 TRP 60 5.337 1.617 0.361 466 HH2 TRP 60 HH2 TRP 60 4.161 -0.395 -0.371 467 H THR 61 HN THR 61 12.645 2.201 -0.655 468 HA THR 61 HA THR 61 13.392 4.577 -1.932 469 HB THR 61 HB THR 61 14.477 3.221 0.571 470 HG1 THR 61 HG1 THR 61 12.790 5.499 0.218 471 HG21 THR 61 HG21 THR 61 16.286 4.674 -0.219 472 HG22 THR 61 HG22 THR 61 15.514 5.408 1.191 473 HG23 THR 61 HG23 THR 61 15.155 6.013 -0.429 474 H GLN 62 HN GLN 62 15.206 1.527 -1.463 475 HA GLN 62 HA GLN 62 17.687 2.586 -2.444 476 HB2 GLN 62 HB2 GLN 62 16.800 -0.303 -2.075 477 HB3 GLN 62 HB1 GLN 62 18.449 0.227 -2.388 478 HG2 GLN 62 HG2 GLN 62 16.803 0.777 0.092 479 HG3 GLN 62 HG1 GLN 62 18.188 -0.302 -0.045 480 HE21 GLN 62 HE21 GLN 62 20.301 0.641 -0.261 481 HE22 GLN 62 HE22 GLN 62 20.593 2.268 0.244 482 H GLU 63 HN GLU 63 14.992 0.704 -3.811 483 HA GLU 63 HA GLU 63 16.103 0.055 -6.333 484 HB2 GLU 63 HB2 GLU 63 13.185 0.437 -5.530 485 HB3 GLU 63 HB1 GLU 63 13.702 -0.257 -7.069 486 HG2 GLU 63 HG2 GLU 63 14.824 -2.091 -5.823 487 HG3 GLU 63 HG1 GLU 63 14.212 -1.420 -4.308 488 H VAL 64 HN VAL 64 14.092 2.828 -5.323 489 HA VAL 64 HA VAL 64 13.874 4.139 -7.813 490 HB VAL 64 HB VAL 64 13.839 5.298 -4.985 491 HG11 VAL 64 HG11 VAL 64 14.443 7.102 -6.540 492 HG12 VAL 64 HG12 VAL 64 12.791 7.333 -5.967 493 HG13 VAL 64 HG13 VAL 64 13.080 6.689 -7.587 494 HG21 VAL 64 HG21 VAL 64 11.989 3.741 -5.464 495 HG22 VAL 64 HG22 VAL 64 11.564 4.666 -6.904 496 HG23 VAL 64 HG23 VAL 64 11.387 5.392 -5.306 497 H ASN 65 HN ASN 65 16.147 4.708 -5.125 498 HA ASN 65 HA ASN 65 17.695 6.682 -6.436 499 HB2 ASN 65 HB2 ASN 65 18.367 4.967 -4.010 500 HB3 ASN 65 HB1 ASN 65 19.239 6.422 -4.493 501 HD21 ASN 65 HD21 ASN 65 17.877 5.916 -1.986 502 HD22 ASN 65 HD22 ASN 65 16.659 7.132 -1.824 503 H ASP 66 HN ASP 66 17.870 3.194 -6.589 504 HA ASP 66 HA ASP 66 20.602 3.057 -7.576 505 HB2 ASP 66 HB2 ASP 66 19.437 1.246 -6.215 506 HB3 ASP 66 HB1 ASP 66 18.426 0.906 -7.611 507 H GLY 67 HN GLY 67 17.593 3.880 -8.976 508 HA2 GLY 67 HA2 GLY 67 16.825 4.045 -11.123 509 HA3 GLY 67 HA1 GLY 67 18.409 3.558 -11.696 510 H LYS 68 HN LYS 68 17.025 1.281 -9.525 511 HA LYS 68 HA LYS 68 16.514 -0.737 -11.485 512 HB2 LYS 68 HB2 LYS 68 15.636 -0.501 -8.579 513 HB3 LYS 68 HB1 LYS 68 15.361 -1.938 -9.551 514 HG2 LYS 68 HG2 LYS 68 18.159 -0.883 -9.076 515 HG3 LYS 68 HG1 LYS 68 17.347 -1.893 -7.886 516 HD2 LYS 68 HD2 LYS 68 18.668 -3.404 -9.136 517 HD3 LYS 68 HD1 LYS 68 17.037 -3.623 -9.765 518 HE2 LYS 68 HE2 LYS 68 18.559 -3.617 -11.638 519 HE3 LYS 68 HE1 LYS 68 17.669 -2.100 -11.687 520 HZ1 LYS 68 HZ1 LYS 68 19.976 -1.708 -12.107 521 HZ2 LYS 68 HZ2 LYS 68 20.425 -2.495 -10.680 522 HZ3 LYS 68 HZ3 LYS 68 19.581 -1.033 -10.606 523 H ALA 69 HN ALA 69 14.551 1.592 -9.768 524 HA ALA 69 HA ALA 69 12.272 1.193 -11.584 525 HB1 ALA 69 HB1 ALA 69 10.699 1.275 -9.678 526 HB2 ALA 69 HB2 ALA 69 12.057 1.300 -8.546 527 HB3 ALA 69 HB3 ALA 69 11.772 -0.119 -9.558 528 H THR 70 HN THR 70 11.043 3.115 -11.879 529 HA THR 70 HA THR 70 12.507 5.569 -11.486 530 HB THR 70 HB THR 70 10.560 6.653 -12.638 531 HG1 THR 70 HG1 THR 70 8.800 5.450 -13.236 532 HG21 THR 70 HG21 THR 70 12.409 5.708 -13.997 533 HG22 THR 70 HG22 THR 70 10.857 5.571 -14.830 534 HG23 THR 70 HG23 THR 70 11.570 4.153 -14.058 535 H THR 71 HN THR 71 11.580 7.485 -10.498 536 HA THR 71 HA THR 71 10.701 7.249 -7.860 537 HB THR 71 HB THR 71 10.163 9.714 -8.065 538 HG1 THR 71 HG1 THR 71 10.871 10.538 -10.285 539 HG21 THR 71 HG21 THR 71 12.447 10.491 -8.635 540 HG22 THR 71 HG22 THR 71 12.810 8.913 -9.335 541 HG23 THR 71 HG23 THR 71 12.505 9.057 -7.603 542 H GLU 72 HN GLU 72 8.873 8.317 -10.730 543 HA GLU 72 HA GLU 72 6.316 8.468 -10.114 544 HB2 GLU 72 HB2 GLU 72 7.354 6.830 -12.460 545 HB3 GLU 72 HB1 GLU 72 5.738 7.531 -12.341 546 HG2 GLU 72 HG2 GLU 72 6.646 9.778 -12.420 547 HG3 GLU 72 HG1 GLU 72 8.300 9.160 -12.352 548 H GLN 73 HN GLN 73 7.870 5.328 -10.619 549 HA GLN 73 HA GLN 73 5.550 3.734 -10.447 550 HB2 GLN 73 HB2 GLN 73 7.714 2.928 -11.394 551 HB3 GLN 73 HB1 GLN 73 8.393 2.879 -9.769 552 HG2 GLN 73 HG2 GLN 73 6.699 1.178 -9.122 553 HG3 GLN 73 HG1 GLN 73 6.041 1.214 -10.755 554 HE21 GLN 73 HE21 GLN 73 7.276 0.287 -12.441 555 HE22 GLN 73 HE22 GLN 73 8.540 -0.838 -12.113 556 H TYR 74 HN TYR 74 7.682 4.968 -7.899 557 HA TYR 74 HA TYR 74 6.088 3.510 -5.873 558 HB2 TYR 74 HB2 TYR 74 9.001 4.339 -5.732 559 HB3 TYR 74 HB1 TYR 74 8.094 3.702 -4.365 560 HD1 TYR 74 HD2 TYR 74 6.521 1.503 -5.760 561 HD2 TYR 74 HD1 TYR 74 10.631 2.616 -6.065 562 HE1 TYR 74 HE2 TYR 74 7.093 -0.787 -6.453 563 HE2 TYR 74 HE1 TYR 74 11.200 0.341 -6.742 564 HH TYR 74 HH TYR 74 10.364 -1.892 -6.639 565 H PHE 75 HN PHE 75 6.291 6.585 -7.113 566 HA PHE 75 HA PHE 75 5.467 7.784 -4.533 567 HB2 PHE 75 HB2 PHE 75 7.449 8.981 -6.512 568 HB3 PHE 75 HB1 PHE 75 6.697 9.909 -5.219 569 HD1 PHE 75 HD2 PHE 75 6.953 8.788 -2.781 570 HD2 PHE 75 HD1 PHE 75 9.603 8.109 -6.077 571 HE1 PHE 75 HE2 PHE 75 8.746 8.152 -1.219 572 HE2 PHE 75 HE1 PHE 75 11.388 7.486 -4.506 573 HZ PHE 75 HZ PHE 75 10.964 7.494 -2.077 574 H VAL 76 HN VAL 76 4.274 7.056 -7.510 575 HA VAL 76 HA VAL 76 2.598 9.510 -7.577 576 HB VAL 76 HB VAL 76 2.804 7.278 -9.654 577 HG11 VAL 76 HG11 VAL 76 0.449 8.024 -9.512 578 HG12 VAL 76 HG12 VAL 76 1.184 8.575 -11.018 579 HG13 VAL 76 HG13 VAL 76 0.956 9.708 -9.682 580 HG21 VAL 76 HG21 VAL 76 3.480 10.241 -9.859 581 HG22 VAL 76 HG22 VAL 76 3.650 9.042 -11.147 582 HG23 VAL 76 HG23 VAL 76 4.653 8.931 -9.701 583 H LEU 77 HN LEU 77 0.569 9.418 -6.926 584 HA LEU 77 HA LEU 77 0.068 7.652 -4.824 585 HB2 LEU 77 HB2 LEU 77 -1.848 9.636 -6.081 586 HB3 LEU 77 HB1 LEU 77 -1.947 8.973 -4.452 587 HG LEU 77 HG LEU 77 0.230 10.824 -5.506 588 HD11 LEU 77 HD11 LEU 77 -1.879 11.963 -5.123 589 HD12 LEU 77 HD12 LEU 77 -0.660 12.466 -3.959 590 HD13 LEU 77 HD13 LEU 77 -1.935 11.350 -3.467 591 HD21 LEU 77 HD21 LEU 77 1.226 9.266 -3.909 592 HD22 LEU 77 HD22 LEU 77 -0.030 9.629 -2.722 593 HD23 LEU 77 HD23 LEU 77 1.123 10.879 -3.203 594 H LYS 78 HN LYS 78 -1.198 7.489 -8.123 595 HA LYS 78 HA LYS 78 -3.290 5.581 -7.577 596 HB2 LYS 78 HB2 LYS 78 -3.345 5.213 -10.026 597 HB3 LYS 78 HB1 LYS 78 -3.337 6.929 -9.635 598 HG2 LYS 78 HG2 LYS 78 -0.892 7.000 -10.132 599 HG3 LYS 78 HG1 LYS 78 -0.968 5.305 -10.620 600 HD2 LYS 78 HD2 LYS 78 -2.550 5.898 -12.427 601 HD3 LYS 78 HD1 LYS 78 -2.488 7.594 -11.932 602 HE2 LYS 78 HE2 LYS 78 -0.059 7.640 -12.453 603 HE3 LYS 78 HE1 LYS 78 -0.150 5.955 -12.968 604 HZ1 LYS 78 HZ1 LYS 78 -0.229 7.517 -14.806 605 HZ2 LYS 78 HZ2 LYS 78 -1.658 8.178 -14.201 606 HZ3 LYS 78 HZ3 LYS 78 -1.626 6.573 -14.723 607 H ASN 79 HN ASN 79 0.093 5.380 -8.541 608 HA ASN 79 HA ASN 79 0.266 2.528 -8.840 609 HB2 ASN 79 HB2 ASN 79 2.519 4.542 -8.344 610 HB3 ASN 79 HB1 ASN 79 2.712 2.897 -8.941 611 HD21 ASN 79 HD21 ASN 79 3.490 5.468 -10.134 612 HD22 ASN 79 HD22 ASN 79 2.751 5.501 -11.695 613 H LEU 80 HN LEU 80 0.776 4.862 -6.299 614 HA LEU 80 HA LEU 80 1.992 3.295 -4.313 615 HB2 LEU 80 HB2 LEU 80 1.954 5.734 -4.212 616 HB3 LEU 80 HB1 LEU 80 0.202 5.742 -4.130 617 HG LEU 80 HG LEU 80 0.316 4.673 -1.871 618 HD11 LEU 80 HD11 LEU 80 3.321 5.029 -2.100 619 HD12 LEU 80 HD12 LEU 80 2.445 3.496 -2.044 620 HD13 LEU 80 HD13 LEU 80 2.440 4.563 -0.642 621 HD21 LEU 80 HD21 LEU 80 1.862 7.280 -2.083 622 HD22 LEU 80 HD22 LEU 80 1.033 6.668 -0.644 623 HD23 LEU 80 HD23 LEU 80 0.103 7.111 -2.076 624 H ALA 81 HN ALA 81 -1.420 4.205 -4.779 625 HA ALA 81 HA ALA 81 -2.501 2.670 -2.670 626 HB1 ALA 81 HB1 ALA 81 -4.670 3.114 -3.745 627 HB2 ALA 81 HB2 ALA 81 -3.836 3.660 -5.204 628 HB3 ALA 81 HB3 ALA 81 -3.669 4.564 -3.699 629 H ALA 82 HN ALA 82 -1.704 1.854 -6.012 630 HA ALA 82 HA ALA 82 -3.038 -0.633 -6.188 631 HB1 ALA 82 HB1 ALA 82 -2.165 0.563 -8.159 632 HB2 ALA 82 HB2 ALA 82 -1.510 -1.075 -8.074 633 HB3 ALA 82 HB3 ALA 82 -0.512 0.304 -7.596 634 H ARG 83 HN ARG 83 0.334 0.209 -5.332 635 HA ARG 83 HA ARG 83 1.332 -2.380 -4.813 636 HB2 ARG 83 HB2 ARG 83 2.189 0.373 -3.863 637 HB3 ARG 83 HB1 ARG 83 3.096 -1.070 -3.433 638 HG2 ARG 83 HG2 ARG 83 3.997 -1.325 -5.531 639 HG3 ARG 83 HG1 ARG 83 2.580 -0.667 -6.351 640 HD2 ARG 83 HD2 ARG 83 4.688 0.736 -6.473 641 HD3 ARG 83 HD1 ARG 83 3.239 1.575 -5.918 642 HE ARG 83 HE ARG 83 5.191 0.528 -3.961 643 HH11 ARG 83 HH11 ARG 83 3.564 3.271 -5.416 644 HH12 ARG 83 HH12 ARG 83 4.182 4.407 -4.261 645 HH21 ARG 83 HH21 ARG 83 6.023 2.063 -2.492 646 HH22 ARG 83 HH22 ARG 83 5.569 3.726 -2.617 647 H ILE 84 HN ILE 84 -0.167 0.004 -2.658 648 HA ILE 84 HA ILE 84 0.102 -1.333 -0.189 649 HB ILE 84 HB ILE 84 -2.128 0.531 -1.136 650 HG12 ILE 84 HG12 ILE 84 0.307 1.311 0.529 651 HG13 ILE 84 HG11 ILE 84 0.319 1.388 -1.228 652 HG21 ILE 84 HG21 ILE 84 -1.338 -0.212 1.715 653 HG22 ILE 84 HG22 ILE 84 -2.826 -0.688 0.890 654 HG23 ILE 84 HG23 ILE 84 -2.534 1.009 1.269 655 HD11 ILE 84 HD11 ILE 84 -0.120 3.547 -0.182 656 HD12 ILE 84 HD12 ILE 84 -1.587 2.897 0.548 657 HD13 ILE 84 HD13 ILE 84 -1.453 3.020 -1.207 658 H ASP 85 HN ASP 85 -2.454 -1.399 -2.671 659 HA ASP 85 HA ASP 85 -4.171 -3.260 -1.368 660 HB2 ASP 85 HB2 ASP 85 -4.993 -1.671 -3.070 661 HB3 ASP 85 HB1 ASP 85 -4.013 -2.458 -4.307 662 H GLU 86 HN GLU 86 -1.425 -3.636 -3.558 663 HA GLU 86 HA GLU 86 -1.688 -6.384 -4.196 664 HB2 GLU 86 HB2 GLU 86 0.810 -4.663 -3.888 665 HB3 GLU 86 HB1 GLU 86 0.814 -6.288 -4.553 666 HG2 GLU 86 HG2 GLU 86 -0.598 -3.895 -5.742 667 HG3 GLU 86 HG1 GLU 86 0.939 -4.549 -6.286 668 H LEU 87 HN LEU 87 -0.350 -4.628 -1.453 669 HA LEU 87 HA LEU 87 0.673 -6.965 -0.079 670 HB2 LEU 87 HB2 LEU 87 0.383 -4.053 0.736 671 HB3 LEU 87 HB1 LEU 87 1.116 -5.278 1.768 672 HG LEU 87 HG LEU 87 2.171 -4.589 -1.011 673 HD11 LEU 87 HD11 LEU 87 3.938 -3.314 0.070 674 HD12 LEU 87 HD12 LEU 87 3.191 -3.574 1.649 675 HD13 LEU 87 HD13 LEU 87 2.353 -2.623 0.419 676 HD21 LEU 87 HD21 LEU 87 3.418 -6.184 1.259 677 HD22 LEU 87 HD22 LEU 87 4.200 -5.792 -0.275 678 HD23 LEU 87 HD23 LEU 87 2.784 -6.838 -0.254 679 H VAL 88 HN VAL 88 -2.325 -5.096 -0.061 680 HA VAL 88 HA VAL 88 -3.463 -6.214 2.328 681 HB VAL 88 HB VAL 88 -4.785 -4.942 -0.125 682 HG11 VAL 88 HG11 VAL 88 -6.425 -6.453 0.921 683 HG12 VAL 88 HG12 VAL 88 -6.871 -4.774 1.216 684 HG13 VAL 88 HG13 VAL 88 -6.122 -5.725 2.498 685 HG21 VAL 88 HG21 VAL 88 -3.397 -3.390 1.210 686 HG22 VAL 88 HG22 VAL 88 -4.283 -3.826 2.672 687 HG23 VAL 88 HG23 VAL 88 -5.105 -2.978 1.360 688 H ALA 89 HN ALA 89 -3.551 -7.080 -1.097 689 HA ALA 89 HA ALA 89 -5.145 -9.441 -0.878 690 HB1 ALA 89 HB1 ALA 89 -3.172 -8.601 -3.040 691 HB2 ALA 89 HB2 ALA 89 -4.892 -8.213 -3.003 692 HB3 ALA 89 HB3 ALA 89 -4.375 -9.888 -3.184 693 H ALA 90 HN ALA 90 -1.653 -8.761 -0.909 694 HA ALA 90 HA ALA 90 -0.742 -11.445 -0.677 695 HB1 ALA 90 HB1 ALA 90 0.717 -9.613 -1.454 696 HB2 ALA 90 HB2 ALA 90 1.436 -10.478 -0.095 697 HB3 ALA 90 HB3 ALA 90 0.686 -8.896 0.156 698 H LYS 91 HN LYS 91 -1.887 -9.102 1.697 699 HA LYS 91 HA LYS 91 -1.048 -10.533 4.031 700 HB2 LYS 91 HB2 LYS 91 -1.623 -8.146 4.104 701 HB3 LYS 91 HB1 LYS 91 -3.264 -8.477 3.595 702 HG2 LYS 91 HG2 LYS 91 -2.209 -9.588 6.212 703 HG3 LYS 91 HG1 LYS 91 -2.762 -7.918 6.109 704 HD2 LYS 91 HD2 LYS 91 -4.428 -10.428 5.618 705 HD3 LYS 91 HD1 LYS 91 -4.572 -9.309 6.975 706 HE2 LYS 91 HE2 LYS 91 -5.288 -7.529 5.402 707 HE3 LYS 91 HE1 LYS 91 -5.156 -8.667 4.063 708 HZ1 LYS 91 HZ1 LYS 91 -6.979 -8.935 6.370 709 HZ2 LYS 91 HZ2 LYS 91 -6.877 -9.987 5.052 710 HZ3 LYS 91 HZ3 LYS 91 -7.407 -8.398 4.828 711 H GLY 92 HN GLY 92 -3.869 -10.656 1.882 712 HA2 GLY 92 HA2 GLY 92 -5.518 -12.210 3.701 713 HA3 GLY 92 HA1 GLY 92 -5.914 -11.710 2.065 714 H ALA 93 HN ALA 93 -2.946 -13.129 1.840 715 HA ALA 93 HA ALA 93 -3.876 -15.921 1.677 716 HB1 ALA 93 HB1 ALA 93 -4.315 -14.948 -0.546 717 HB2 ALA 93 HB2 ALA 93 -3.037 -16.158 -0.632 718 HB3 ALA 93 HB3 ALA 93 -2.629 -14.441 -0.675 719 H LEU 94 HN LEU 94 -1.153 -13.695 1.227 720 HA LEU 94 HA LEU 94 0.986 -13.628 2.023 721 HB2 LEU 94 HB2 LEU 94 0.059 -15.901 3.817 722 HB3 LEU 94 HB1 LEU 94 1.639 -15.149 3.946 723 HG LEU 94 HG LEU 94 -0.989 -13.649 4.353 724 HD11 LEU 94 HD11 LEU 94 -0.681 -15.357 6.102 725 HD12 LEU 94 HD12 LEU 94 -0.526 -13.728 6.752 726 HD13 LEU 94 HD13 LEU 94 0.920 -14.707 6.470 727 HD21 LEU 94 HD21 LEU 94 0.424 -11.875 5.321 728 HD22 LEU 94 HD22 LEU 94 0.862 -12.193 3.647 729 HD23 LEU 94 HD23 LEU 94 1.873 -12.812 4.952 730 H GLU 95 HN GLU 95 0.184 -15.234 -0.268 731 HA GLU 95 HA GLU 95 1.738 -17.614 -0.514 732 HB2 GLU 95 HB2 GLU 95 0.657 -15.762 -2.688 733 HB3 GLU 95 HB1 GLU 95 1.202 -17.423 -2.937 734 HG2 GLU 95 HG2 GLU 95 -0.642 -18.301 -1.664 735 HG3 GLU 95 HG1 GLU 95 -1.099 -16.690 -1.106 736 H HIS 96 HN HIS 96 2.212 -14.258 -1.628 737 HA HIS 96 HA HIS 96 5.085 -14.800 -2.074 738 HB2 HIS 96 HB2 HIS 96 5.147 -12.942 -3.641 739 HB3 HIS 96 HB1 HIS 96 3.880 -14.057 -4.122 740 HD1 HIS 96 HD1 HIS 96 4.513 -10.546 -3.357 741 HD2 HIS 96 HD2 HIS 96 1.189 -13.035 -3.573 742 HE1 HIS 96 HE1 HIS 96 2.531 -9.014 -3.530 743 HE2 HIS 96 HE2 HIS 96 0.568 -10.543 -3.874 744 H HIS 97 HN HIS 97 6.524 -13.749 -0.927 745 HA HIS 97 HA HIS 97 5.947 -11.290 0.538 746 HB2 HIS 97 HB2 HIS 97 6.806 -12.187 2.685 747 HB3 HIS 97 HB1 HIS 97 5.368 -13.061 2.180 748 HD1 HIS 97 HD1 HIS 97 5.567 -15.578 2.082 749 HD2 HIS 97 HD2 HIS 97 9.276 -13.718 2.243 750 HE1 HIS 97 HE1 HIS 97 7.241 -17.432 2.373 751 HE2 HIS 97 HE2 HIS 97 9.480 -16.295 2.206 752 H HIS 98 HN HIS 98 8.000 -10.380 1.453 753 HA HIS 98 HA HIS 98 10.503 -11.391 0.291 754 HB2 HIS 98 HB2 HIS 98 9.602 -9.811 -1.410 755 HB3 HIS 98 HB1 HIS 98 9.472 -8.550 -0.191 756 HD1 HIS 98 HD1 HIS 98 11.515 -7.121 0.191 757 HD2 HIS 98 HD2 HIS 98 12.339 -10.520 -2.065 758 HE1 HIS 98 HE1 HIS 98 13.891 -6.855 -0.595 759 HE2 HIS 98 HE2 HIS 98 14.301 -8.839 -2.095 760 H HIS 99 HN HIS 99 11.443 -11.772 2.179 761 HA HIS 99 HA HIS 99 12.408 -11.611 4.187 762 HB2 HIS 99 HB2 HIS 99 12.441 -8.645 3.535 763 HB3 HIS 99 HB1 HIS 99 13.187 -9.305 4.985 764 HD1 HIS 99 HD1 HIS 99 15.491 -10.268 4.751 765 HD2 HIS 99 HD2 HIS 99 13.711 -9.487 1.086 766 HE1 HIS 99 HE1 HIS 99 17.297 -10.607 3.049 767 HE2 HIS 99 HE2 HIS 99 16.253 -9.918 0.860 768 H HIS 100 HN HIS 100 10.861 -12.435 5.512 769 HA HIS 100 HA HIS 100 8.733 -10.765 6.650 770 HB2 HIS 100 HB2 HIS 100 7.913 -12.832 7.684 771 HB3 HIS 100 HB1 HIS 100 8.247 -13.113 5.985 772 HD1 HIS 100 HD1 HIS 100 10.364 -14.640 5.443 773 HD2 HIS 100 HD2 HIS 100 9.272 -14.484 9.444 774 HE1 HIS 100 HE1 HIS 100 11.572 -16.541 6.551 775 HE2 HIS 100 HE2 HIS 100 10.724 -16.548 8.919 776 H HIS 101 HN HIS 101 11.108 -9.672 7.255 777 HA HIS 101 HA HIS 101 12.471 -10.698 9.543 778 HB2 HIS 101 HB2 HIS 101 13.562 -9.336 7.714 779 HB3 HIS 101 HB1 HIS 101 12.681 -7.921 8.274 780 HD1 HIS 101 HD1 HIS 101 15.721 -9.855 8.836 781 HD2 HIS 101 HD2 HIS 101 13.505 -7.053 10.940 782 HE1 HIS 101 HE1 HIS 101 17.247 -9.021 10.640 783 HE2 HIS 101 HE2 HIS 101 15.917 -7.235 11.830 784 H282 PNS 102 H282 PNS 102 14.858 11.403 1.537 785 H281 PNS 102 H281 PNS 102 16.398 10.571 1.814 786 H303 PNS 102 H303 PNS 102 18.127 12.108 -1.212 787 H302 PNS 102 H302 PNS 102 18.290 10.860 0.027 788 H301 PNS 102 H301 PNS 102 17.156 10.646 -1.310 789 H313 PNS 102 H313 PNS 102 16.351 13.597 1.760 790 H312 PNS 102 H312 PNS 102 17.830 12.636 1.822 791 H311 PNS 102 H311 PNS 102 17.625 13.873 0.577 792 H32 PNS 102 H32 PNS 102 14.763 11.985 -1.171 793 H33 PNS 102 H33 PNS 102 14.009 14.160 -0.555 794 H36 PNS 102 H36 PNS 102 16.468 15.126 -0.652 795 H372 PNS 102 H372 PNS 102 17.890 16.320 -2.082 796 H371 PNS 102 H371 PNS 102 17.744 15.056 -3.297 797 H382 PNS 102 H382 PNS 102 15.679 17.211 -2.694 798 H381 PNS 102 H381 PNS 102 16.768 17.197 -4.072 799 H41 PNS 102 H41 PNS 102 16.573 14.939 -5.338 800 H422 PNS 102 H422 PNS 102 14.016 14.861 -6.571 801 H421 PNS 102 H421 PNS 102 15.360 13.767 -6.868 802 H431 PNS 102 H431 PNS 102 13.329 13.506 -4.637 803 H432 PNS 102 H432 PNS 102 14.694 12.417 -4.913 804 H44 PNS 102 H44 PNS 102 13.626 10.970 -6.753 Start of MODEL 17 1 H1 MET 1 HT1 MET 1 -18.506 4.205 -0.902 2 H2 MET 1 HT2 MET 1 -17.215 4.524 0.141 3 H3 MET 1 HT3 MET 1 -17.954 3.005 0.159 4 HA MET 1 HA MET 1 -17.220 2.590 -2.086 5 HB2 MET 1 HB2 MET 1 -17.154 4.964 -2.802 6 HB3 MET 1 HB1 MET 1 -15.765 5.251 -1.761 7 HG2 MET 1 HG2 MET 1 -14.413 3.735 -3.140 8 HG3 MET 1 HG1 MET 1 -15.819 3.387 -4.150 9 HE1 MET 1 HE1 MET 1 -14.406 4.015 -6.332 10 HE2 MET 1 HE2 MET 1 -12.997 4.382 -5.336 11 HE3 MET 1 HE3 MET 1 -13.556 5.548 -6.532 12 H THR 2 HN THR 2 -15.139 4.293 0.288 13 HA THR 2 HA THR 2 -13.599 3.598 1.790 14 HB THR 2 HB THR 2 -14.460 0.711 1.250 15 HG1 THR 2 HG1 THR 2 -16.275 1.072 2.331 16 HG21 THR 2 HG21 THR 2 -13.517 2.035 3.833 17 HG22 THR 2 HG22 THR 2 -12.546 0.953 2.835 18 HG23 THR 2 HG23 THR 2 -13.987 0.342 3.647 19 H SER 3 HN SER 3 -13.038 3.663 -1.196 20 HA SER 3 HA SER 3 -11.221 1.606 -1.930 21 HB2 SER 3 HB2 SER 3 -10.658 3.210 -3.831 22 HB3 SER 3 HB1 SER 3 -12.372 2.826 -3.657 23 HG SER 3 HG SER 3 -11.299 5.207 -3.692 24 H THR 4 HN THR 4 -8.964 1.899 -2.507 25 HA THR 4 HA THR 4 -7.478 2.508 -0.195 26 HB THR 4 HB THR 4 -6.448 1.910 -3.003 27 HG1 THR 4 HG1 THR 4 -7.947 0.405 -1.582 28 HG21 THR 4 HG21 THR 4 -4.649 2.756 -1.524 29 HG22 THR 4 HG22 THR 4 -4.432 1.040 -1.867 30 HG23 THR 4 HG23 THR 4 -5.072 1.551 -0.305 31 H PHE 5 HN PHE 5 -7.609 4.176 -3.392 32 HA PHE 5 HA PHE 5 -5.634 6.106 -2.919 33 HB2 PHE 5 HB2 PHE 5 -6.410 5.918 -5.189 34 HB3 PHE 5 HB1 PHE 5 -8.084 6.210 -4.721 35 HD1 PHE 5 HD1 PHE 5 -4.722 7.923 -4.674 36 HD2 PHE 5 HD2 PHE 5 -8.965 8.414 -4.991 37 HE1 PHE 5 HE1 PHE 5 -4.429 10.339 -4.996 38 HE2 PHE 5 HE2 PHE 5 -8.647 10.836 -5.332 39 HZ PHE 5 HZ PHE 5 -6.380 11.798 -5.323 40 H ASP 6 HN ASP 6 -9.138 6.304 -2.303 41 HA ASP 6 HA ASP 6 -9.162 9.015 -1.450 42 HB2 ASP 6 HB2 ASP 6 -11.156 6.761 -1.042 43 HB3 ASP 6 HB1 ASP 6 -11.455 8.414 -0.501 44 H ARG 7 HN ARG 7 -8.893 5.956 0.344 45 HA ARG 7 HA ARG 7 -8.798 6.971 2.961 46 HB2 ARG 7 HB2 ARG 7 -7.435 4.542 1.726 47 HB3 ARG 7 HB1 ARG 7 -7.311 4.912 3.442 48 HG2 ARG 7 HG2 ARG 7 -9.881 4.307 1.941 49 HG3 ARG 7 HG1 ARG 7 -9.012 3.199 3.010 50 HD2 ARG 7 HD2 ARG 7 -9.350 4.860 4.880 51 HD3 ARG 7 HD1 ARG 7 -10.375 5.800 3.789 52 HE ARG 7 HE ARG 7 -11.164 3.033 4.092 53 HH11 ARG 7 HH11 ARG 7 -11.619 6.289 5.338 54 HH12 ARG 7 HH12 ARG 7 -13.076 5.891 6.189 55 HH21 ARG 7 HH21 ARG 7 -13.055 2.508 5.274 56 HH22 ARG 7 HH22 ARG 7 -13.877 3.745 6.164 57 H VAL 8 HN VAL 8 -6.173 6.453 0.615 58 HA VAL 8 HA VAL 8 -4.029 7.367 2.229 59 HB VAL 8 HB VAL 8 -4.270 7.078 -0.801 60 HG11 VAL 8 HG11 VAL 8 -1.738 7.592 0.820 61 HG12 VAL 8 HG12 VAL 8 -2.483 8.710 -0.325 62 HG13 VAL 8 HG13 VAL 8 -1.790 7.194 -0.901 63 HG21 VAL 8 HG21 VAL 8 -2.951 5.295 1.285 64 HG22 VAL 8 HG22 VAL 8 -2.969 4.999 -0.456 65 HG23 VAL 8 HG23 VAL 8 -4.477 4.969 0.459 66 H ALA 9 HN ALA 9 -6.172 9.043 -0.045 67 HA ALA 9 HA ALA 9 -4.817 11.496 -0.220 68 HB1 ALA 9 HB1 ALA 9 -6.945 12.330 -1.164 69 HB2 ALA 9 HB2 ALA 9 -7.766 10.862 -0.626 70 HB3 ALA 9 HB3 ALA 9 -6.509 10.767 -1.860 71 H THR 10 HN THR 10 -7.472 10.351 1.876 72 HA THR 10 HA THR 10 -7.791 12.582 3.538 73 HB THR 10 HB THR 10 -8.001 9.664 4.435 74 HG1 THR 10 HG1 THR 10 -9.524 9.615 2.968 75 HG21 THR 10 HG21 THR 10 -8.101 11.276 6.319 76 HG22 THR 10 HG22 THR 10 -9.672 10.518 6.057 77 HG23 THR 10 HG23 THR 10 -9.388 12.163 5.491 78 H ILE 11 HN ILE 11 -5.645 9.761 3.864 79 HA ILE 11 HA ILE 11 -4.415 10.300 6.298 80 HB ILE 11 HB ILE 11 -3.573 8.713 3.851 81 HG12 ILE 11 HG12 ILE 11 -4.262 7.791 6.678 82 HG13 ILE 11 HG11 ILE 11 -5.421 7.886 5.359 83 HG21 ILE 11 HG21 ILE 11 -1.657 7.730 5.094 84 HG22 ILE 11 HG22 ILE 11 -1.885 8.934 6.363 85 HG23 ILE 11 HG23 ILE 11 -1.431 9.443 4.738 86 HD11 ILE 11 HD11 ILE 11 -2.995 6.090 5.438 87 HD12 ILE 11 HD12 ILE 11 -4.190 6.162 4.139 88 HD13 ILE 11 HD13 ILE 11 -4.661 5.608 5.747 89 H ILE 12 HN ILE 12 -3.373 11.315 3.016 90 HA ILE 12 HA ILE 12 -0.894 12.454 3.795 91 HB ILE 12 HB ILE 12 -2.637 12.774 1.319 92 HG12 ILE 12 HG12 ILE 12 -0.002 11.302 1.781 93 HG13 ILE 12 HG11 ILE 12 -1.589 10.560 1.609 94 HG21 ILE 12 HG21 ILE 12 -1.394 14.868 1.500 95 HG22 ILE 12 HG22 ILE 12 -0.750 13.903 0.175 96 HG23 ILE 12 HG23 ILE 12 0.121 13.984 1.707 97 HD11 ILE 12 HD11 ILE 12 -0.088 12.063 -0.538 98 HD12 ILE 12 HD12 ILE 12 -1.687 11.334 -0.717 99 HD13 ILE 12 HD13 ILE 12 -0.282 10.317 -0.406 100 H ALA 13 HN ALA 13 -4.081 13.828 3.051 101 HA ALA 13 HA ALA 13 -3.653 16.516 3.529 102 HB1 ALA 13 HB1 ALA 13 -6.090 16.692 3.852 103 HB2 ALA 13 HB2 ALA 13 -6.195 14.943 4.070 104 HB3 ALA 13 HB3 ALA 13 -5.711 15.608 2.509 105 H GLU 14 HN GLU 14 -4.508 13.975 5.888 106 HA GLU 14 HA GLU 14 -4.787 15.790 8.094 107 HB2 GLU 14 HB2 GLU 14 -4.615 12.754 8.043 108 HB3 GLU 14 HB1 GLU 14 -5.035 13.715 9.462 109 HG2 GLU 14 HG2 GLU 14 -6.622 13.351 6.906 110 HG3 GLU 14 HG1 GLU 14 -7.062 12.839 8.530 111 H THR 15 HN THR 15 -2.197 13.683 6.910 112 HA THR 15 HA THR 15 -0.668 13.640 9.320 113 HB THR 15 HB THR 15 0.163 12.971 6.460 114 HG1 THR 15 HG1 THR 15 -1.536 11.732 7.733 115 HG21 THR 15 HG21 THR 15 1.583 12.320 9.068 116 HG22 THR 15 HG22 THR 15 2.173 13.429 7.827 117 HG23 THR 15 HG23 THR 15 2.036 11.703 7.480 118 H CYS 16 HN CYS 16 -0.188 15.370 6.194 119 HA CYS 16 HA CYS 16 1.921 17.039 7.455 120 HB2 CYS 16 HB2 CYS 16 1.733 15.960 4.616 121 HB3 CYS 16 HB1 CYS 16 2.994 17.044 5.188 122 HG CYS 16 HG CYS 16 4.312 15.287 6.709 123 H ASP 17 HN ASP 17 -1.174 17.364 6.683 124 HA ASP 17 HA ASP 17 -2.606 18.933 5.950 125 HB2 ASP 17 HB2 ASP 17 -1.495 20.156 7.817 126 HB3 ASP 17 HB1 ASP 17 -0.328 20.824 6.685 127 H ILE 18 HN ILE 18 -2.231 17.927 3.756 128 HA ILE 18 HA ILE 18 -1.502 20.057 1.817 129 HB ILE 18 HB ILE 18 -1.728 17.058 1.249 130 HG12 ILE 18 HG12 ILE 18 0.796 17.380 0.581 131 HG13 ILE 18 HG11 ILE 18 0.704 18.863 1.521 132 HG21 ILE 18 HG21 ILE 18 -1.039 19.307 -0.676 133 HG22 ILE 18 HG22 ILE 18 -2.509 18.329 -0.681 134 HG23 ILE 18 HG23 ILE 18 -0.955 17.582 -1.053 135 HD11 ILE 18 HD11 ILE 18 1.668 16.999 2.739 136 HD12 ILE 18 HD12 ILE 18 0.169 16.094 2.560 137 HD13 ILE 18 HD13 ILE 18 0.194 17.584 3.506 138 HA PRO 19 HA PRO 19 -5.968 20.512 1.339 139 HB2 PRO 19 HB2 PRO 19 -5.900 21.600 -1.278 140 HB3 PRO 19 HB1 PRO 19 -5.837 22.506 0.232 141 HG2 PRO 19 HG2 PRO 19 -3.621 21.730 -1.606 142 HG3 PRO 19 HG1 PRO 19 -3.785 23.168 -0.578 143 HD2 PRO 19 HD2 PRO 19 -2.141 21.077 0.040 144 HD3 PRO 19 HD1 PRO 19 -2.902 22.079 1.282 145 H ARG 20 HN ARG 20 -7.234 18.840 0.993 146 HA ARG 20 HA ARG 20 -6.819 16.521 -0.415 147 HB2 ARG 20 HB2 ARG 20 -8.542 16.844 1.358 148 HB3 ARG 20 HB1 ARG 20 -9.492 17.825 0.257 149 HG2 ARG 20 HG2 ARG 20 -10.489 15.635 0.405 150 HG3 ARG 20 HG1 ARG 20 -9.802 15.819 -1.211 151 HD2 ARG 20 HD2 ARG 20 -7.836 14.498 -0.532 152 HD3 ARG 20 HD1 ARG 20 -8.500 14.333 1.101 153 HE ARG 20 HE ARG 20 -9.530 13.076 -1.372 154 HH11 ARG 20 HH11 ARG 20 -9.672 13.342 2.129 155 HH12 ARG 20 HH12 ARG 20 -10.537 11.855 2.332 156 HH21 ARG 20 HH21 ARG 20 -10.704 11.136 -1.092 157 HH22 ARG 20 HH22 ARG 20 -11.117 10.605 0.509 158 H GLU 21 HN GLU 21 -8.188 19.544 -1.581 159 HA GLU 21 HA GLU 21 -9.363 18.704 -4.005 160 HB2 GLU 21 HB2 GLU 21 -9.211 21.155 -4.613 161 HB3 GLU 21 HB1 GLU 21 -9.958 20.849 -3.045 162 HG2 GLU 21 HG2 GLU 21 -7.883 21.432 -1.901 163 HG3 GLU 21 HG1 GLU 21 -7.067 21.668 -3.448 164 H THR 22 HN THR 22 -6.026 19.554 -3.177 165 HA THR 22 HA THR 22 -5.160 19.628 -5.975 166 HB THR 22 HB THR 22 -2.930 20.261 -5.069 167 HG1 THR 22 HG1 THR 22 -3.685 19.103 -2.882 168 HG21 THR 22 HG21 THR 22 -4.570 22.054 -5.492 169 HG22 THR 22 HG22 THR 22 -3.569 22.453 -4.098 170 HG23 THR 22 HG23 THR 22 -5.218 21.872 -3.859 171 H ILE 23 HN ILE 23 -5.680 17.213 -3.709 172 HA ILE 23 HA ILE 23 -3.397 15.518 -4.415 173 HB ILE 23 HB ILE 23 -5.800 15.058 -2.566 174 HG12 ILE 23 HG12 ILE 23 -2.883 15.671 -1.873 175 HG13 ILE 23 HG11 ILE 23 -4.226 16.801 -1.732 176 HG21 ILE 23 HG21 ILE 23 -3.342 13.302 -2.902 177 HG22 ILE 23 HG22 ILE 23 -4.975 12.909 -3.439 178 HG23 ILE 23 HG23 ILE 23 -4.629 13.064 -1.719 179 HD11 ILE 23 HD11 ILE 23 -3.866 14.259 -0.136 180 HD12 ILE 23 HD12 ILE 23 -5.227 15.378 0.002 181 HD13 ILE 23 HD13 ILE 23 -3.601 15.908 0.424 182 H THR 24 HN THR 24 -3.756 15.091 -6.621 183 HA THR 24 HA THR 24 -6.248 13.673 -7.403 184 HB THR 24 HB THR 24 -5.526 14.110 -9.768 185 HG1 THR 24 HG1 THR 24 -3.213 14.507 -8.859 186 HG21 THR 24 HG21 THR 24 -5.747 16.622 -8.073 187 HG22 THR 24 HG22 THR 24 -7.093 15.691 -8.734 188 HG23 THR 24 HG23 THR 24 -5.994 16.544 -9.819 189 HA PRO 25 HA PRO 25 -4.250 9.755 -7.428 190 HB2 PRO 25 HB2 PRO 25 -5.132 8.535 -9.775 191 HB3 PRO 25 HB1 PRO 25 -6.120 8.721 -8.315 192 HG2 PRO 25 HG2 PRO 25 -6.037 10.456 -10.784 193 HG3 PRO 25 HG1 PRO 25 -7.449 9.841 -9.895 194 HD2 PRO 25 HD2 PRO 25 -6.611 12.359 -9.550 195 HD3 PRO 25 HD1 PRO 25 -7.199 11.409 -8.162 196 H GLU 26 HN GLU 26 -3.593 11.814 -10.201 197 HA GLU 26 HA GLU 26 -1.340 10.127 -11.096 198 HB2 GLU 26 HB2 GLU 26 -2.730 12.487 -12.431 199 HB3 GLU 26 HB1 GLU 26 -1.379 11.590 -13.131 200 HG2 GLU 26 HG2 GLU 26 -2.775 9.546 -13.199 201 HG3 GLU 26 HG1 GLU 26 -4.118 10.430 -12.473 202 H SER 27 HN SER 27 -1.632 12.154 -8.731 203 HA SER 27 HA SER 27 0.503 14.082 -9.273 204 HB2 SER 27 HB2 SER 27 -1.072 13.481 -6.721 205 HB3 SER 27 HB1 SER 27 0.174 14.724 -6.853 206 HG SER 27 HG SER 27 -1.091 15.906 -8.126 207 H HIS 28 HN HIS 28 2.583 13.868 -8.608 208 HA HIS 28 HA HIS 28 3.484 11.354 -7.407 209 HB2 HIS 28 HB2 HIS 28 4.651 12.419 -9.424 210 HB3 HIS 28 HB1 HIS 28 5.165 13.719 -8.359 211 HD2 HIS 28 HD2 HIS 28 6.171 10.194 -9.392 212 HE1 HIS 28 HE1 HIS 28 8.652 11.302 -6.171 213 HE2 HIS 28 HE2 HIS 28 8.414 9.808 -8.190 214 H ALA 29 HN ALA 29 3.477 11.322 -5.198 215 HA ALA 29 HA ALA 29 2.976 13.265 -3.409 216 HB1 ALA 29 HB1 ALA 29 3.900 11.777 -1.690 217 HB2 ALA 29 HB2 ALA 29 4.755 10.854 -2.929 218 HB3 ALA 29 HB3 ALA 29 2.992 10.857 -2.892 219 H ILE 30 HN ILE 30 6.230 12.594 -4.779 220 HA ILE 30 HA ILE 30 7.465 14.229 -2.655 221 HB ILE 30 HB ILE 30 8.750 12.344 -4.682 222 HG12 ILE 30 HG12 ILE 30 8.298 12.109 -1.667 223 HG13 ILE 30 HG11 ILE 30 7.579 11.109 -2.925 224 HG21 ILE 30 HG21 ILE 30 10.894 12.711 -3.504 225 HG22 ILE 30 HG22 ILE 30 10.133 13.944 -2.495 226 HG23 ILE 30 HG23 ILE 30 10.299 14.205 -4.233 227 HD11 ILE 30 HD11 ILE 30 9.305 9.903 -1.748 228 HD12 ILE 30 HD12 ILE 30 10.489 11.155 -2.115 229 HD13 ILE 30 HD13 ILE 30 9.810 10.174 -3.417 230 H ASP 31 HN ASP 31 7.019 14.086 -6.160 231 HA ASP 31 HA ASP 31 8.813 16.360 -6.630 232 HB2 ASP 31 HB2 ASP 31 8.985 14.321 -8.075 233 HB3 ASP 31 HB1 ASP 31 7.329 14.573 -8.618 234 H ASP 32 HN ASP 32 5.408 15.445 -7.137 235 HA ASP 32 HA ASP 32 4.692 18.028 -8.296 236 HB2 ASP 32 HB2 ASP 32 3.771 15.952 -9.274 237 HB3 ASP 32 HB1 ASP 32 3.033 15.523 -7.739 238 H LEU 33 HN LEU 33 3.628 16.075 -5.468 239 HA LEU 33 HA LEU 33 2.118 18.252 -4.313 240 HB2 LEU 33 HB2 LEU 33 2.851 15.535 -3.153 241 HB3 LEU 33 HB1 LEU 33 1.705 16.665 -2.444 242 HG LEU 33 HG LEU 33 1.366 15.220 -5.107 243 HD11 LEU 33 HD11 LEU 33 1.135 13.738 -3.176 244 HD12 LEU 33 HD12 LEU 33 -0.410 13.973 -3.985 245 HD13 LEU 33 HD13 LEU 33 -0.076 14.810 -2.465 246 HD21 LEU 33 HD21 LEU 33 -0.915 16.174 -5.141 247 HD22 LEU 33 HD22 LEU 33 0.319 17.426 -5.225 248 HD23 LEU 33 HD23 LEU 33 -0.541 17.137 -3.708 249 H GLY 34 HN GLY 34 5.386 17.335 -4.295 250 HA2 GLY 34 HA2 GLY 34 7.248 18.197 -3.291 251 HA3 GLY 34 HA1 GLY 34 6.233 19.506 -2.717 252 H ILE 35 HN ILE 35 5.816 16.123 -1.901 253 HA ILE 35 HA ILE 35 6.169 16.669 0.971 254 HB ILE 35 HB ILE 35 5.095 14.181 -0.462 255 HG12 ILE 35 HG12 ILE 35 3.472 16.287 1.044 256 HG13 ILE 35 HG11 ILE 35 3.651 16.262 -0.708 257 HG21 ILE 35 HG21 ILE 35 6.043 13.622 1.742 258 HG22 ILE 35 HG22 ILE 35 4.289 13.440 1.753 259 HG23 ILE 35 HG23 ILE 35 5.031 14.853 2.505 260 HD11 ILE 35 HD11 ILE 35 1.546 15.302 -0.016 261 HD12 ILE 35 HD12 ILE 35 2.379 14.098 0.964 262 HD13 ILE 35 HD13 ILE 35 2.556 14.083 -0.794 263 H ASP 36 HN ASP 36 8.168 16.208 1.802 264 HA ASP 36 HA ASP 36 10.141 14.736 0.257 265 HB2 ASP 36 HB2 ASP 36 10.791 16.780 1.500 266 HB3 ASP 36 HB1 ASP 36 10.288 16.044 3.016 267 H SER 37 HN SER 37 11.398 12.998 1.287 268 HA SER 37 HA SER 37 10.039 10.724 1.981 269 HB2 SER 37 HB2 SER 37 12.397 10.815 1.260 270 HB3 SER 37 HB1 SER 37 12.844 11.548 2.799 271 H LEU 38 HN LEU 38 11.540 13.067 4.212 272 HA LEU 38 HA LEU 38 11.056 11.689 6.627 273 HB2 LEU 38 HB2 LEU 38 11.561 14.629 6.108 274 HB3 LEU 38 HB1 LEU 38 11.466 13.938 7.722 275 HG LEU 38 HG LEU 38 13.532 13.208 5.607 276 HD11 LEU 38 HD11 LEU 38 15.154 14.320 7.090 277 HD12 LEU 38 HD12 LEU 38 13.840 14.825 8.158 278 HD13 LEU 38 HD13 LEU 38 13.925 15.437 6.504 279 HD21 LEU 38 HD21 LEU 38 13.264 12.214 8.472 280 HD22 LEU 38 HD22 LEU 38 14.607 11.865 7.379 281 HD23 LEU 38 HD23 LEU 38 12.994 11.268 7.008 282 H ASP 39 HN ASP 39 8.938 13.728 4.744 283 HA ASP 39 HA ASP 39 6.899 13.967 6.836 284 HB2 ASP 39 HB2 ASP 39 6.688 14.613 3.858 285 HB3 ASP 39 HB1 ASP 39 5.548 15.098 5.111 286 H PHE 40 HN PHE 40 7.606 12.081 3.967 287 HA PHE 40 HA PHE 40 5.055 10.850 3.665 288 HB2 PHE 40 HB2 PHE 40 6.777 11.238 1.813 289 HB3 PHE 40 HB1 PHE 40 7.695 9.894 2.478 290 HD1 PHE 40 HD1 PHE 40 4.371 10.796 1.017 291 HD2 PHE 40 HD2 PHE 40 7.152 7.639 1.817 292 HE1 PHE 40 HE1 PHE 40 2.999 9.246 -0.301 293 HE2 PHE 40 HE2 PHE 40 5.764 6.094 0.489 294 HZ PHE 40 HZ PHE 40 3.685 6.897 -0.565 295 H LEU 41 HN LEU 41 7.811 10.151 5.667 296 HA LEU 41 HA LEU 41 7.616 7.396 6.093 297 HB2 LEU 41 HB2 LEU 41 8.299 9.516 8.173 298 HB3 LEU 41 HB1 LEU 41 8.639 7.799 8.327 299 HG LEU 41 HG LEU 41 9.914 9.719 6.342 300 HD11 LEU 41 HD11 LEU 41 11.125 8.270 8.713 301 HD12 LEU 41 HD12 LEU 41 10.744 9.992 8.622 302 HD13 LEU 41 HD13 LEU 41 11.984 9.314 7.573 303 HD21 LEU 41 HD21 LEU 41 11.341 7.838 5.623 304 HD22 LEU 41 HD22 LEU 41 9.643 7.542 5.261 305 HD23 LEU 41 HD23 LEU 41 10.402 6.732 6.633 306 H ASP 42 HN ASP 42 6.027 10.006 7.987 307 HA ASP 42 HA ASP 42 4.459 8.227 9.602 308 HB2 ASP 42 HB2 ASP 42 5.137 10.579 10.288 309 HB3 ASP 42 HB1 ASP 42 3.939 11.201 9.154 310 H ILE 43 HN ILE 43 3.846 9.939 6.567 311 HA ILE 43 HA ILE 43 1.112 9.370 6.219 312 HB ILE 43 HB ILE 43 3.339 9.513 4.130 313 HG12 ILE 43 HG12 ILE 43 1.253 11.572 5.008 314 HG13 ILE 43 HG11 ILE 43 2.985 11.636 5.322 315 HG21 ILE 43 HG21 ILE 43 1.593 9.763 2.395 316 HG22 ILE 43 HG22 ILE 43 0.341 9.457 3.600 317 HG23 ILE 43 HG23 ILE 43 1.498 8.190 3.186 318 HD11 ILE 43 HD11 ILE 43 2.394 13.184 3.582 319 HD12 ILE 43 HD12 ILE 43 1.628 11.909 2.636 320 HD13 ILE 43 HD13 ILE 43 3.378 11.894 2.889 321 H ALA 44 HN ALA 44 4.013 7.326 5.748 322 HA ALA 44 HA ALA 44 2.659 5.192 4.393 323 HB1 ALA 44 HB1 ALA 44 4.817 4.017 4.629 324 HB2 ALA 44 HB2 ALA 44 5.400 5.285 5.709 325 HB3 ALA 44 HB3 ALA 44 5.058 5.656 4.018 326 H PHE 45 HN PHE 45 3.658 5.914 7.740 327 HA PHE 45 HA PHE 45 3.047 3.427 8.961 328 HB2 PHE 45 HB2 PHE 45 3.235 6.246 10.071 329 HB3 PHE 45 HB1 PHE 45 2.657 4.942 11.096 330 HD1 PHE 45 HD1 PHE 45 4.161 3.032 11.657 331 HD2 PHE 45 HD2 PHE 45 5.586 6.481 9.585 332 HE1 PHE 45 HE1 PHE 45 6.476 2.430 12.232 333 HE2 PHE 45 HE2 PHE 45 7.887 5.872 10.154 334 HZ PHE 45 HZ PHE 45 8.340 3.844 11.479 335 H ALA 46 HN ALA 46 1.040 6.262 8.257 336 HA ALA 46 HA ALA 46 -1.298 5.370 9.661 337 HB1 ALA 46 HB1 ALA 46 -2.459 7.185 8.452 338 HB2 ALA 46 HB2 ALA 46 -1.030 7.419 7.441 339 HB3 ALA 46 HB3 ALA 46 -0.947 7.740 9.171 340 H ILE 47 HN ILE 47 -0.159 5.104 6.309 341 HA ILE 47 HA ILE 47 -2.412 3.818 5.176 342 HB ILE 47 HB ILE 47 0.546 3.719 4.443 343 HG12 ILE 47 HG12 ILE 47 -1.787 5.184 3.115 344 HG13 ILE 47 HG11 ILE 47 -0.608 5.929 4.187 345 HG21 ILE 47 HG21 ILE 47 -0.112 2.747 2.258 346 HG22 ILE 47 HG22 ILE 47 -1.763 2.561 2.846 347 HG23 ILE 47 HG23 ILE 47 -0.448 1.654 3.598 348 HD11 ILE 47 HD11 ILE 47 -0.029 4.725 1.476 349 HD12 ILE 47 HD12 ILE 47 1.160 5.465 2.551 350 HD13 ILE 47 HD13 ILE 47 -0.138 6.442 1.867 351 H ASP 48 HN ASP 48 0.528 2.532 6.672 352 HA ASP 48 HA ASP 48 0.195 -0.195 6.404 353 HB2 ASP 48 HB2 ASP 48 1.544 1.426 8.597 354 HB3 ASP 48 HB1 ASP 48 1.630 -0.331 8.528 355 H LYS 49 HN LYS 49 -0.778 1.871 9.092 356 HA LYS 49 HA LYS 49 -1.893 -0.292 10.617 357 HB2 LYS 49 HB2 LYS 49 -1.907 2.718 11.079 358 HB3 LYS 49 HB1 LYS 49 -2.443 1.518 12.256 359 HG2 LYS 49 HG2 LYS 49 -0.178 0.551 12.340 360 HG3 LYS 49 HG1 LYS 49 0.372 1.697 11.115 361 HD2 LYS 49 HD2 LYS 49 -0.104 3.572 12.703 362 HD3 LYS 49 HD1 LYS 49 -0.583 2.388 13.924 363 HE2 LYS 49 HE2 LYS 49 1.718 1.410 13.829 364 HE3 LYS 49 HE1 LYS 49 2.184 2.669 12.682 365 HZ1 LYS 49 HZ1 LYS 49 2.877 3.275 14.872 366 HZ2 LYS 49 HZ2 LYS 49 1.323 3.051 15.497 367 HZ3 LYS 49 HZ3 LYS 49 1.623 4.310 14.412 368 H ALA 50 HN ALA 50 -3.199 2.141 8.396 369 HA ALA 50 HA ALA 50 -5.944 1.735 8.933 370 HB1 ALA 50 HB1 ALA 50 -4.640 2.547 6.302 371 HB2 ALA 50 HB2 ALA 50 -5.119 3.644 7.599 372 HB3 ALA 50 HB3 ALA 50 -6.349 2.742 6.714 373 H PHE 51 HN PHE 51 -3.840 0.225 6.455 374 HA PHE 51 HA PHE 51 -6.001 -1.564 5.593 375 HB2 PHE 51 HB2 PHE 51 -3.243 -1.033 4.415 376 HB3 PHE 51 HB1 PHE 51 -4.431 -2.125 3.713 377 HD1 PHE 51 HD2 PHE 51 -3.574 1.419 4.291 378 HD2 PHE 51 HD1 PHE 51 -6.428 -1.256 2.580 379 HE1 PHE 51 HE2 PHE 51 -4.565 3.283 3.042 380 HE2 PHE 51 HE1 PHE 51 -7.419 0.617 1.336 381 HZ PHE 51 HZ PHE 51 -6.492 2.880 1.564 382 H GLY 52 HN GLY 52 -3.575 -1.726 7.890 383 HA2 GLY 52 HA2 GLY 52 -2.873 -3.465 9.224 384 HA3 GLY 52 HA1 GLY 52 -3.891 -4.556 8.303 385 H ILE 53 HN ILE 53 -1.646 -2.691 6.490 386 HA ILE 53 HA ILE 53 0.036 -5.081 5.989 387 HB ILE 53 HB ILE 53 0.611 -3.918 3.779 388 HG12 ILE 53 HG12 ILE 53 -1.341 -2.300 2.969 389 HG13 ILE 53 HG11 ILE 53 -1.579 -1.997 4.682 390 HG21 ILE 53 HG21 ILE 53 -0.923 -5.804 3.899 391 HG22 ILE 53 HG22 ILE 53 -1.432 -4.677 2.644 392 HG23 ILE 53 HG23 ILE 53 -2.287 -4.721 4.191 393 HD11 ILE 53 HD11 ILE 53 0.699 -1.112 4.824 394 HD12 ILE 53 HD12 ILE 53 -0.265 -0.261 3.616 395 HD13 ILE 53 HD13 ILE 53 0.930 -1.454 3.108 396 H LYS 54 HN LYS 54 2.247 -4.099 4.899 397 HA LYS 54 HA LYS 54 3.155 -1.667 6.267 398 HB2 LYS 54 HB2 LYS 54 4.062 -3.616 7.583 399 HB3 LYS 54 HB1 LYS 54 4.853 -4.203 6.121 400 HG2 LYS 54 HG2 LYS 54 6.136 -2.012 6.044 401 HG3 LYS 54 HG1 LYS 54 5.429 -1.612 7.611 402 HD2 LYS 54 HD2 LYS 54 7.660 -2.503 7.955 403 HD3 LYS 54 HD1 LYS 54 6.483 -3.665 8.571 404 HE2 LYS 54 HE2 LYS 54 6.726 -5.008 6.510 405 HE3 LYS 54 HE1 LYS 54 7.882 -3.834 5.875 406 HZ1 LYS 54 HZ1 LYS 54 9.029 -5.695 6.808 407 HZ2 LYS 54 HZ2 LYS 54 8.222 -5.519 8.286 408 HZ3 LYS 54 HZ3 LYS 54 9.315 -4.335 7.775 409 H LEU 55 HN LEU 55 3.944 -0.279 4.718 410 HA LEU 55 HA LEU 55 4.630 -1.175 2.073 411 HB2 LEU 55 HB2 LEU 55 5.205 1.543 3.336 412 HB3 LEU 55 HB1 LEU 55 5.168 1.164 1.622 413 HG LEU 55 HG LEU 55 2.770 1.301 3.500 414 HD11 LEU 55 HD11 LEU 55 3.536 3.106 1.177 415 HD12 LEU 55 HD12 LEU 55 3.651 3.507 2.892 416 HD13 LEU 55 HD13 LEU 55 2.073 3.235 2.163 417 HD21 LEU 55 HD21 LEU 55 1.352 0.907 1.540 418 HD22 LEU 55 HD22 LEU 55 2.399 -0.471 1.848 419 HD23 LEU 55 HD23 LEU 55 2.774 0.645 0.537 420 HA PRO 56 HA PRO 56 8.961 -1.898 3.483 421 HB2 PRO 56 HB2 PRO 56 9.877 -3.080 1.194 422 HB3 PRO 56 HB1 PRO 56 8.960 -3.960 2.424 423 HG2 PRO 56 HG2 PRO 56 8.013 -2.803 -0.188 424 HG3 PRO 56 HG1 PRO 56 7.608 -4.363 0.562 425 HD2 PRO 56 HD2 PRO 56 5.957 -2.168 0.690 426 HD3 PRO 56 HD1 PRO 56 5.991 -3.422 1.946 427 H LEU 57 HN LEU 57 9.057 0.406 3.535 428 HA LEU 57 HA LEU 57 8.984 2.054 1.230 429 HB2 LEU 57 HB2 LEU 57 8.319 2.556 3.727 430 HB3 LEU 57 HB1 LEU 57 10.009 2.937 3.958 431 HG LEU 57 HG LEU 57 8.566 4.943 3.646 432 HD11 LEU 57 HD11 LEU 57 10.926 5.139 3.078 433 HD12 LEU 57 HD12 LEU 57 9.931 6.174 2.057 434 HD13 LEU 57 HD13 LEU 57 10.579 4.661 1.415 435 HD21 LEU 57 HD21 LEU 57 7.588 5.468 1.459 436 HD22 LEU 57 HD22 LEU 57 6.900 4.001 2.147 437 HD23 LEU 57 HD23 LEU 57 8.092 3.888 0.848 438 H GLU 58 HN GLU 58 11.619 0.989 3.399 439 HA GLU 58 HA GLU 58 13.733 2.430 2.176 440 HB2 GLU 58 HB2 GLU 58 13.766 -0.124 3.831 441 HB3 GLU 58 HB1 GLU 58 15.224 0.734 3.337 442 HG2 GLU 58 HG2 GLU 58 14.562 2.690 4.636 443 HG3 GLU 58 HG1 GLU 58 13.026 1.926 5.059 444 H LYS 59 HN LYS 59 12.504 -0.873 1.674 445 HA LYS 59 HA LYS 59 14.236 -1.848 -0.256 446 HB2 LYS 59 HB2 LYS 59 12.578 -3.310 0.693 447 HB3 LYS 59 HB1 LYS 59 11.260 -2.274 0.166 448 HG2 LYS 59 HG2 LYS 59 11.852 -2.872 -2.223 449 HG3 LYS 59 HG1 LYS 59 13.000 -4.050 -1.579 450 HD2 LYS 59 HD2 LYS 59 11.192 -5.291 -0.507 451 HD3 LYS 59 HD1 LYS 59 10.016 -4.051 -0.963 452 HE2 LYS 59 HE2 LYS 59 9.880 -6.019 -2.451 453 HE3 LYS 59 HE1 LYS 59 10.371 -4.573 -3.340 454 HZ1 LYS 59 HZ1 LYS 59 12.246 -6.635 -2.323 455 HZ2 LYS 59 HZ2 LYS 59 12.628 -5.317 -3.317 456 HZ3 LYS 59 HZ3 LYS 59 11.659 -6.570 -3.905 457 H TRP 60 HN TRP 60 11.198 -0.066 -0.751 458 HA TRP 60 HA TRP 60 11.193 0.115 -3.549 459 HB2 TRP 60 HB2 TRP 60 9.961 1.952 -1.451 460 HB3 TRP 60 HB1 TRP 60 9.615 2.065 -3.174 461 HD1 TRP 60 HD1 TRP 60 9.712 -1.512 -2.725 462 HE1 TRP 60 HE1 TRP 60 7.375 -2.460 -2.266 463 HE3 TRP 60 HE3 TRP 60 7.293 2.825 -1.517 464 HZ2 TRP 60 HZ2 TRP 60 4.850 -1.522 -1.517 465 HZ3 TRP 60 HZ3 TRP 60 4.901 2.714 -0.948 466 HH2 TRP 60 HH2 TRP 60 3.710 0.578 -0.956 467 H THR 61 HN THR 61 12.432 2.273 -1.070 468 HA THR 61 HA THR 61 13.279 4.437 -2.622 469 HB THR 61 HB THR 61 14.284 3.377 0.051 470 HG1 THR 61 HG1 THR 61 12.040 4.273 -0.253 471 HG21 THR 61 HG21 THR 61 15.262 5.618 0.435 472 HG22 THR 61 HG22 THR 61 14.896 6.055 -1.234 473 HG23 THR 61 HG23 THR 61 16.058 4.771 -0.892 474 H GLN 62 HN GLN 62 14.871 1.323 -1.888 475 HA GLN 62 HA GLN 62 17.473 2.131 -2.832 476 HB2 GLN 62 HB2 GLN 62 16.300 -0.581 -2.054 477 HB3 GLN 62 HB1 GLN 62 17.958 -0.366 -2.604 478 HG2 GLN 62 HG2 GLN 62 16.737 0.858 -0.118 479 HG3 GLN 62 HG1 GLN 62 17.843 -0.516 -0.171 480 HE21 GLN 62 HE21 GLN 62 20.052 -0.130 -0.794 481 HE22 GLN 62 HE22 GLN 62 20.747 1.445 -0.624 482 H GLU 63 HN GLU 63 14.713 0.204 -4.054 483 HA GLU 63 HA GLU 63 15.836 -0.655 -6.494 484 HB2 GLU 63 HB2 GLU 63 12.915 -0.097 -5.811 485 HB3 GLU 63 HB1 GLU 63 13.456 -0.939 -7.265 486 HG2 GLU 63 HG2 GLU 63 14.381 -2.747 -5.913 487 HG3 GLU 63 HG1 GLU 63 13.978 -1.888 -4.431 488 H VAL 64 HN VAL 64 14.194 2.320 -5.619 489 HA VAL 64 HA VAL 64 14.181 3.594 -8.158 490 HB VAL 64 HB VAL 64 14.100 4.702 -5.313 491 HG11 VAL 64 HG11 VAL 64 13.722 6.264 -7.891 492 HG12 VAL 64 HG12 VAL 64 15.041 6.457 -6.738 493 HG13 VAL 64 HG13 VAL 64 13.396 6.877 -6.268 494 HG21 VAL 64 HG21 VAL 64 12.120 3.387 -5.993 495 HG22 VAL 64 HG22 VAL 64 11.910 4.411 -7.417 496 HG23 VAL 64 HG23 VAL 64 11.706 5.093 -5.802 497 H ASN 65 HN ASN 65 16.462 3.772 -5.399 498 HA ASN 65 HA ASN 65 18.390 5.460 -6.536 499 HB2 ASN 65 HB2 ASN 65 18.652 3.346 -4.360 500 HB3 ASN 65 HB1 ASN 65 19.957 4.452 -4.776 501 HD21 ASN 65 HD21 ASN 65 18.480 4.131 -2.247 502 HD22 ASN 65 HD22 ASN 65 17.831 5.689 -1.880 503 H ASP 66 HN ASP 66 17.935 1.970 -6.938 504 HA ASP 66 HA ASP 66 20.470 1.547 -8.286 505 HB2 ASP 66 HB2 ASP 66 18.068 -0.268 -7.815 506 HB3 ASP 66 HB1 ASP 66 19.517 -0.787 -8.658 507 H GLY 67 HN GLY 67 17.665 3.001 -9.300 508 HA2 GLY 67 HA2 GLY 67 16.667 3.431 -11.289 509 HA3 GLY 67 HA1 GLY 67 18.118 2.830 -12.064 510 H LYS 68 HN LYS 68 16.610 0.515 -10.050 511 HA LYS 68 HA LYS 68 15.862 -1.201 -12.246 512 HB2 LYS 68 HB2 LYS 68 15.397 -1.477 -9.242 513 HB3 LYS 68 HB1 LYS 68 15.110 -2.751 -10.429 514 HG2 LYS 68 HG2 LYS 68 17.540 -2.734 -10.993 515 HG3 LYS 68 HG1 LYS 68 17.798 -1.519 -9.736 516 HD2 LYS 68 HD2 LYS 68 16.802 -4.370 -9.343 517 HD3 LYS 68 HD1 LYS 68 18.380 -3.736 -8.879 518 HE2 LYS 68 HE2 LYS 68 17.286 -2.240 -7.232 519 HE3 LYS 68 HE1 LYS 68 15.709 -2.880 -7.701 520 HZ1 LYS 68 HZ1 LYS 68 16.442 -5.068 -6.966 521 HZ2 LYS 68 HZ2 LYS 68 16.486 -3.934 -5.712 522 HZ3 LYS 68 HZ3 LYS 68 17.922 -4.417 -6.461 523 H ALA 69 HN ALA 69 14.284 0.971 -10.041 524 HA ALA 69 HA ALA 69 11.655 0.581 -11.332 525 HB1 ALA 69 HB1 ALA 69 11.623 -0.576 -9.155 526 HB2 ALA 69 HB2 ALA 69 10.577 0.844 -9.131 527 HB3 ALA 69 HB3 ALA 69 12.158 0.901 -8.346 528 H THR 70 HN THR 70 10.599 2.467 -11.764 529 HA THR 70 HA THR 70 11.898 4.995 -11.627 530 HB THR 70 HB THR 70 8.945 4.405 -12.187 531 HG1 THR 70 HG1 THR 70 9.503 3.753 -14.139 532 HG21 THR 70 HG21 THR 70 9.018 6.402 -13.629 533 HG22 THR 70 HG22 THR 70 10.704 6.678 -13.189 534 HG23 THR 70 HG23 THR 70 9.440 6.828 -11.966 535 H THR 71 HN THR 71 11.287 6.864 -10.346 536 HA THR 71 HA THR 71 10.576 6.531 -7.658 537 HB THR 71 HB THR 71 10.097 9.003 -7.626 538 HG1 THR 71 HG1 THR 71 10.876 9.407 -10.249 539 HG21 THR 71 HG21 THR 71 12.623 8.272 -9.152 540 HG22 THR 71 HG22 THR 71 12.437 8.307 -7.398 541 HG23 THR 71 HG23 THR 71 12.337 9.807 -8.319 542 H GLU 72 HN GLU 72 8.603 7.789 -10.335 543 HA GLU 72 HA GLU 72 6.139 8.073 -9.289 544 HB2 GLU 72 HB2 GLU 72 6.793 6.954 -12.040 545 HB3 GLU 72 HB1 GLU 72 5.252 7.676 -11.579 546 HG2 GLU 72 HG2 GLU 72 6.535 9.814 -11.082 547 HG3 GLU 72 HG1 GLU 72 7.945 9.050 -11.812 548 H GLN 73 HN GLN 73 7.547 4.998 -10.220 549 HA GLN 73 HA GLN 73 5.309 3.343 -10.355 550 HB2 GLN 73 HB2 GLN 73 7.667 2.724 -11.003 551 HB3 GLN 73 HB1 GLN 73 8.041 2.510 -9.298 552 HG2 GLN 73 HG2 GLN 73 6.355 0.691 -9.165 553 HG3 GLN 73 HG1 GLN 73 5.998 0.904 -10.880 554 HE21 GLN 73 HE21 GLN 73 8.208 -0.405 -8.556 555 HE22 GLN 73 HE22 GLN 73 9.219 -1.252 -9.669 556 H TYR 74 HN TYR 74 6.944 4.585 -7.527 557 HA TYR 74 HA TYR 74 5.113 3.097 -5.727 558 HB2 TYR 74 HB2 TYR 74 7.724 4.508 -5.019 559 HB3 TYR 74 HB1 TYR 74 6.751 3.489 -3.955 560 HD1 TYR 74 HD2 TYR 74 6.203 1.060 -5.110 561 HD2 TYR 74 HD1 TYR 74 9.659 3.456 -5.866 562 HE1 TYR 74 HE2 TYR 74 7.419 -0.927 -5.850 563 HE2 TYR 74 HE1 TYR 74 10.867 1.455 -6.618 564 HH TYR 74 HH TYR 74 10.702 -1.046 -6.219 565 H PHE 75 HN PHE 75 6.312 6.360 -6.577 566 HA PHE 75 HA PHE 75 4.982 7.504 -4.222 567 HB2 PHE 75 HB2 PHE 75 7.064 8.739 -6.065 568 HB3 PHE 75 HB1 PHE 75 6.454 9.451 -4.576 569 HD1 PHE 75 HD2 PHE 75 6.593 7.381 -2.564 570 HD2 PHE 75 HD1 PHE 75 9.303 8.145 -5.788 571 HE1 PHE 75 HE2 PHE 75 8.417 6.314 -1.298 572 HE2 PHE 75 HE1 PHE 75 11.116 7.084 -4.516 573 HZ PHE 75 HZ PHE 75 10.680 6.160 -2.269 574 H VAL 76 HN VAL 76 3.901 6.937 -7.243 575 HA VAL 76 HA VAL 76 2.408 9.513 -7.358 576 HB VAL 76 HB VAL 76 2.687 7.339 -9.486 577 HG11 VAL 76 HG11 VAL 76 0.806 9.741 -9.559 578 HG12 VAL 76 HG12 VAL 76 0.319 8.048 -9.443 579 HG13 VAL 76 HG13 VAL 76 1.118 8.631 -10.901 580 HG21 VAL 76 HG21 VAL 76 4.503 9.027 -9.378 581 HG22 VAL 76 HG22 VAL 76 3.314 10.315 -9.581 582 HG23 VAL 76 HG23 VAL 76 3.586 9.149 -10.880 583 H LEU 77 HN LEU 77 0.307 9.507 -6.833 584 HA LEU 77 HA LEU 77 -0.398 7.799 -4.778 585 HB2 LEU 77 HB2 LEU 77 -2.271 9.614 -6.325 586 HB3 LEU 77 HB1 LEU 77 -2.510 9.026 -4.682 587 HG LEU 77 HG LEU 77 -0.343 10.949 -5.612 588 HD11 LEU 77 HD11 LEU 77 -2.716 11.420 -3.802 589 HD12 LEU 77 HD12 LEU 77 -2.528 11.992 -5.461 590 HD13 LEU 77 HD13 LEU 77 -1.455 12.592 -4.201 591 HD21 LEU 77 HD21 LEU 77 -0.787 9.837 -2.822 592 HD22 LEU 77 HD22 LEU 77 0.337 11.130 -3.246 593 HD23 LEU 77 HD23 LEU 77 0.591 9.507 -3.878 594 H LYS 78 HN LYS 78 -1.369 7.487 -8.171 595 HA LYS 78 HA LYS 78 -3.434 5.514 -7.691 596 HB2 LYS 78 HB2 LYS 78 -3.406 5.195 -10.176 597 HB3 LYS 78 HB1 LYS 78 -3.595 6.881 -9.707 598 HG2 LYS 78 HG2 LYS 78 -1.156 7.244 -10.146 599 HG3 LYS 78 HG1 LYS 78 -1.041 5.574 -10.714 600 HD2 LYS 78 HD2 LYS 78 -2.650 6.082 -12.528 601 HD3 LYS 78 HD1 LYS 78 -2.787 7.747 -11.950 602 HE2 LYS 78 HE2 LYS 78 -0.403 8.123 -12.456 603 HE3 LYS 78 HE1 LYS 78 -0.242 6.454 -13.014 604 HZ1 LYS 78 HZ1 LYS 78 -0.530 8.042 -14.838 605 HZ2 LYS 78 HZ2 LYS 78 -2.039 8.487 -14.220 606 HZ3 LYS 78 HZ3 LYS 78 -1.789 6.914 -14.781 607 H ASN 79 HN ASN 79 -0.023 5.488 -8.581 608 HA ASN 79 HA ASN 79 0.288 2.655 -8.888 609 HB2 ASN 79 HB2 ASN 79 2.323 4.897 -8.488 610 HB3 ASN 79 HB1 ASN 79 2.777 3.220 -8.773 611 HD21 ASN 79 HD21 ASN 79 3.195 5.719 -10.394 612 HD22 ASN 79 HD22 ASN 79 2.610 5.307 -11.966 613 H LEU 80 HN LEU 80 0.671 4.952 -6.273 614 HA LEU 80 HA LEU 80 1.952 3.345 -4.346 615 HB2 LEU 80 HB2 LEU 80 1.867 5.821 -4.170 616 HB3 LEU 80 HB1 LEU 80 0.123 5.762 -4.007 617 HG LEU 80 HG LEU 80 0.354 4.597 -1.808 618 HD11 LEU 80 HD11 LEU 80 3.348 5.014 -2.140 619 HD12 LEU 80 HD12 LEU 80 2.497 3.466 -2.122 620 HD13 LEU 80 HD13 LEU 80 2.529 4.464 -0.674 621 HD21 LEU 80 HD21 LEU 80 0.110 7.045 -1.866 622 HD22 LEU 80 HD22 LEU 80 1.865 7.239 -1.948 623 HD23 LEU 80 HD23 LEU 80 1.116 6.537 -0.512 624 H ALA 81 HN ALA 81 -1.460 4.182 -4.952 625 HA ALA 81 HA ALA 81 -2.664 2.633 -2.937 626 HB1 ALA 81 HB1 ALA 81 -3.798 3.467 -5.628 627 HB2 ALA 81 HB2 ALA 81 -3.851 4.412 -4.139 628 HB3 ALA 81 HB3 ALA 81 -4.742 2.892 -4.245 629 H ALA 82 HN ALA 82 -1.680 1.819 -6.253 630 HA ALA 82 HA ALA 82 -2.694 -0.818 -6.321 631 HB1 ALA 82 HB1 ALA 82 -1.234 -1.084 -8.278 632 HB2 ALA 82 HB2 ALA 82 -0.390 0.412 -7.876 633 HB3 ALA 82 HB3 ALA 82 -2.091 0.456 -8.344 634 H ARG 83 HN ARG 83 0.439 0.548 -5.253 635 HA ARG 83 HA ARG 83 1.842 -1.878 -4.851 636 HB2 ARG 83 HB2 ARG 83 2.216 0.807 -3.460 637 HB3 ARG 83 HB1 ARG 83 3.318 -0.550 -3.285 638 HG2 ARG 83 HG2 ARG 83 2.780 1.021 -5.818 639 HG3 ARG 83 HG1 ARG 83 4.223 1.104 -4.815 640 HD2 ARG 83 HD2 ARG 83 4.824 -0.228 -6.687 641 HD3 ARG 83 HD1 ARG 83 4.588 -1.368 -5.368 642 HE ARG 83 HE ARG 83 2.864 -2.323 -6.527 643 HH11 ARG 83 HH11 ARG 83 3.533 0.792 -8.039 644 HH12 ARG 83 HH12 ARG 83 2.446 0.506 -9.356 645 HH21 ARG 83 HH21 ARG 83 1.420 -2.639 -8.263 646 HH22 ARG 83 HH22 ARG 83 1.252 -1.411 -9.476 647 H ILE 84 HN ILE 84 -0.082 0.121 -2.671 648 HA ILE 84 HA ILE 84 0.100 -1.334 -0.293 649 HB ILE 84 HB ILE 84 -2.292 0.228 -1.379 650 HG12 ILE 84 HG12 ILE 84 -0.143 1.250 0.529 651 HG13 ILE 84 HG11 ILE 84 -0.043 1.459 -1.212 652 HG21 ILE 84 HG21 ILE 84 -1.686 -0.540 1.510 653 HG22 ILE 84 HG22 ILE 84 -2.994 -1.180 0.513 654 HG23 ILE 84 HG23 ILE 84 -2.997 0.519 0.983 655 HD11 ILE 84 HD11 ILE 84 -0.848 3.454 -0.106 656 HD12 ILE 84 HD12 ILE 84 -2.212 2.558 0.566 657 HD13 ILE 84 HD13 ILE 84 -2.080 2.791 -1.180 658 H ASP 85 HN ASP 85 -2.168 -1.607 -3.019 659 HA ASP 85 HA ASP 85 -3.756 -3.725 -2.036 660 HB2 ASP 85 HB2 ASP 85 -4.467 -2.232 -3.892 661 HB3 ASP 85 HB1 ASP 85 -3.223 -2.921 -4.932 662 H GLU 86 HN GLU 86 -0.766 -3.739 -4.000 663 HA GLU 86 HA GLU 86 -0.540 -6.475 -4.548 664 HB2 GLU 86 HB2 GLU 86 1.624 -4.380 -4.050 665 HB3 GLU 86 HB1 GLU 86 1.970 -6.008 -4.614 666 HG2 GLU 86 HG2 GLU 86 0.330 -3.926 -6.083 667 HG3 GLU 86 HG1 GLU 86 1.989 -4.390 -6.452 668 H LEU 87 HN LEU 87 0.414 -4.575 -1.736 669 HA LEU 87 HA LEU 87 1.680 -6.723 -0.308 670 HB2 LEU 87 HB2 LEU 87 0.732 -3.999 0.640 671 HB3 LEU 87 HB1 LEU 87 1.793 -5.075 1.545 672 HG LEU 87 HG LEU 87 2.504 -3.919 -1.181 673 HD11 LEU 87 HD11 LEU 87 2.244 -2.094 0.383 674 HD12 LEU 87 HD12 LEU 87 3.944 -2.324 -0.023 675 HD13 LEU 87 HD13 LEU 87 3.324 -2.884 1.533 676 HD21 LEU 87 HD21 LEU 87 3.712 -6.000 -0.634 677 HD22 LEU 87 HD22 LEU 87 4.269 -5.291 0.885 678 HD23 LEU 87 HD23 LEU 87 4.798 -4.611 -0.655 679 H VAL 88 HN VAL 88 -1.579 -5.406 -0.429 680 HA VAL 88 HA VAL 88 -2.665 -6.697 1.868 681 HB VAL 88 HB VAL 88 -4.012 -5.678 -0.688 682 HG11 VAL 88 HG11 VAL 88 -5.387 -6.702 1.826 683 HG12 VAL 88 HG12 VAL 88 -5.447 -7.448 0.229 684 HG13 VAL 88 HG13 VAL 88 -6.192 -5.871 0.492 685 HG21 VAL 88 HG21 VAL 88 -3.023 -3.923 0.762 686 HG22 VAL 88 HG22 VAL 88 -3.958 -4.514 2.132 687 HG23 VAL 88 HG23 VAL 88 -4.783 -3.808 0.741 688 H ALA 89 HN ALA 89 -2.537 -7.635 -1.583 689 HA ALA 89 HA ALA 89 -3.790 -10.184 -1.309 690 HB1 ALA 89 HB1 ALA 89 -3.694 -8.990 -3.475 691 HB2 ALA 89 HB2 ALA 89 -2.977 -10.600 -3.604 692 HB3 ALA 89 HB3 ALA 89 -1.940 -9.177 -3.503 693 H ALA 90 HN ALA 90 -0.426 -9.086 -1.366 694 HA ALA 90 HA ALA 90 0.922 -11.539 -1.215 695 HB1 ALA 90 HB1 ALA 90 2.851 -10.238 -0.392 696 HB2 ALA 90 HB2 ALA 90 1.800 -8.854 -0.087 697 HB3 ALA 90 HB3 ALA 90 2.067 -9.412 -1.740 698 H LYS 91 HN LYS 91 -0.315 -9.416 1.321 699 HA LYS 91 HA LYS 91 0.596 -10.799 3.607 700 HB2 LYS 91 HB2 LYS 91 -0.216 -8.442 3.589 701 HB3 LYS 91 HB1 LYS 91 -1.843 -9.011 3.253 702 HG2 LYS 91 HG2 LYS 91 -1.935 -10.103 5.463 703 HG3 LYS 91 HG1 LYS 91 -0.283 -9.573 5.799 704 HD2 LYS 91 HD2 LYS 91 -1.888 -8.072 6.902 705 HD3 LYS 91 HD1 LYS 91 -1.017 -7.200 5.641 706 HE2 LYS 91 HE2 LYS 91 -3.333 -6.560 5.531 707 HE3 LYS 91 HE1 LYS 91 -3.001 -7.571 4.124 708 HZ1 LYS 91 HZ1 LYS 91 -5.055 -8.227 5.074 709 HZ2 LYS 91 HZ2 LYS 91 -4.390 -8.367 6.617 710 HZ3 LYS 91 HZ3 LYS 91 -3.943 -9.457 5.403 711 H GLY 92 HN GLY 92 -2.207 -11.304 1.507 712 HA2 GLY 92 HA2 GLY 92 -3.410 -13.286 3.317 713 HA3 GLY 92 HA1 GLY 92 -4.093 -12.653 1.830 714 H ALA 93 HN ALA 93 -1.023 -13.348 0.890 715 HA ALA 93 HA ALA 93 -0.987 -16.118 0.421 716 HB1 ALA 93 HB1 ALA 93 -2.298 -14.579 -1.864 717 HB2 ALA 93 HB2 ALA 93 -3.100 -15.750 -0.817 718 HB3 ALA 93 HB3 ALA 93 -1.817 -16.281 -1.903 719 H LEU 94 HN LEU 94 1.213 -16.092 0.407 720 HA LEU 94 HA LEU 94 2.634 -14.492 -1.648 721 HB2 LEU 94 HB2 LEU 94 3.584 -15.893 0.873 722 HB3 LEU 94 HB1 LEU 94 4.720 -15.421 -0.383 723 HG LEU 94 HG LEU 94 2.915 -13.491 1.140 724 HD11 LEU 94 HD11 LEU 94 5.898 -13.942 1.442 725 HD12 LEU 94 HD12 LEU 94 4.655 -14.432 2.593 726 HD13 LEU 94 HD13 LEU 94 4.932 -12.721 2.278 727 HD21 LEU 94 HD21 LEU 94 5.133 -12.914 -0.861 728 HD22 LEU 94 HD22 LEU 94 4.232 -11.708 0.065 729 HD23 LEU 94 HD23 LEU 94 3.402 -12.694 -1.135 730 H GLU 95 HN GLU 95 4.283 -15.584 -2.914 731 HA GLU 95 HA GLU 95 3.545 -17.955 -4.182 732 HB2 GLU 95 HB2 GLU 95 5.945 -17.946 -5.078 733 HB3 GLU 95 HB1 GLU 95 4.997 -16.495 -5.388 734 HG2 GLU 95 HG2 GLU 95 6.142 -15.320 -3.574 735 HG3 GLU 95 HG1 GLU 95 7.025 -16.781 -3.153 736 H HIS 96 HN HIS 96 3.502 -19.940 -3.456 737 HA HIS 96 HA HIS 96 3.812 -21.864 -2.370 738 HB2 HIS 96 HB2 HIS 96 6.557 -20.787 -1.609 739 HB3 HIS 96 HB1 HIS 96 6.019 -22.440 -1.316 740 HD1 HIS 96 HD1 HIS 96 8.365 -21.204 -3.309 741 HD2 HIS 96 HD2 HIS 96 4.789 -23.051 -4.352 742 HE1 HIS 96 HE1 HIS 96 8.729 -22.106 -5.619 743 HE2 HIS 96 HE2 HIS 96 6.554 -23.216 -6.234 744 H HIS 97 HN HIS 97 5.423 -19.533 -0.204 745 HA HIS 97 HA HIS 97 3.290 -19.179 1.592 746 HB2 HIS 97 HB2 HIS 97 4.266 -20.371 3.610 747 HB3 HIS 97 HB1 HIS 97 3.656 -21.456 2.374 748 HD1 HIS 97 HD1 HIS 97 5.265 -23.102 1.356 749 HD2 HIS 97 HD2 HIS 97 7.162 -20.371 3.843 750 HE1 HIS 97 HE1 HIS 97 7.594 -23.977 1.656 751 HE2 HIS 97 HE2 HIS 97 8.687 -22.381 3.267 752 H HIS 98 HN HIS 98 4.483 -18.315 3.889 753 HA HIS 98 HA HIS 98 6.219 -16.137 3.253 754 HB2 HIS 98 HB2 HIS 98 5.668 -17.486 5.942 755 HB3 HIS 98 HB1 HIS 98 6.603 -16.005 5.764 756 HD1 HIS 98 HD1 HIS 98 3.168 -17.225 6.167 757 HD2 HIS 98 HD2 HIS 98 5.029 -13.753 4.863 758 HE1 HIS 98 HE1 HIS 98 1.387 -15.463 6.190 759 HE2 HIS 98 HE2 HIS 98 2.495 -13.425 5.223 760 H HIS 99 HN HIS 99 7.932 -17.033 2.040 761 HA HIS 99 HA HIS 99 9.520 -19.235 3.158 762 HB2 HIS 99 HB2 HIS 99 10.507 -19.445 0.892 763 HB3 HIS 99 HB1 HIS 99 8.754 -19.527 0.844 764 HD1 HIS 99 HD1 HIS 99 7.566 -17.164 0.053 765 HD2 HIS 99 HD2 HIS 99 11.582 -17.687 -0.880 766 HE1 HIS 99 HE1 HIS 99 8.075 -15.471 -1.715 767 HE2 HIS 99 HE2 HIS 99 10.430 -15.967 -2.424 768 H HIS 100 HN HIS 100 10.491 -18.022 4.822 769 HA HIS 100 HA HIS 100 12.534 -16.048 4.181 770 HB2 HIS 100 HB2 HIS 100 11.341 -16.065 6.405 771 HB3 HIS 100 HB1 HIS 100 12.095 -17.608 6.780 772 HD1 HIS 100 HD1 HIS 100 14.616 -17.588 7.369 773 HD2 HIS 100 HD2 HIS 100 13.027 -13.814 6.637 774 HE1 HIS 100 HE1 HIS 100 16.335 -15.959 8.205 775 HE2 HIS 100 HE2 HIS 100 15.416 -13.690 7.618 776 H HIS 101 HN HIS 101 14.043 -16.906 2.830 777 HA HIS 101 HA HIS 101 15.617 -18.178 1.873 778 HB2 HIS 101 HB2 HIS 101 16.817 -18.743 3.857 779 HB3 HIS 101 HB1 HIS 101 15.527 -19.785 4.443 780 HD1 HIS 101 HD1 HIS 101 18.027 -19.729 1.557 781 HD2 HIS 101 HD2 HIS 101 15.965 -22.433 3.946 782 HE1 HIS 101 HE1 HIS 101 18.856 -21.998 0.876 783 HE2 HIS 101 HE2 HIS 101 17.434 -23.611 2.186 784 H282 PNS 102 H282 PNS 102 15.071 9.411 2.840 785 H281 PNS 102 H281 PNS 102 15.459 7.742 2.413 786 H303 PNS 102 H303 PNS 102 15.201 10.899 0.298 787 H302 PNS 102 H302 PNS 102 16.204 11.305 1.691 788 H301 PNS 102 H301 PNS 102 16.953 11.078 0.109 789 H313 PNS 102 H313 PNS 102 15.292 8.521 -0.700 790 H312 PNS 102 H312 PNS 102 17.012 8.833 -0.961 791 H311 PNS 102 H311 PNS 102 16.500 7.395 -0.084 792 H32 PNS 102 H32 PNS 102 17.792 9.616 2.692 793 H33 PNS 102 H33 PNS 102 18.770 7.323 1.993 794 H36 PNS 102 H36 PNS 102 18.732 7.661 -0.105 795 H372 PNS 102 H372 PNS 102 20.191 7.895 -1.807 796 H371 PNS 102 H371 PNS 102 20.257 9.623 -1.506 797 H382 PNS 102 H382 PNS 102 22.187 9.482 -0.284 798 H381 PNS 102 H381 PNS 102 21.684 7.998 0.526 799 H41 PNS 102 H41 PNS 102 21.512 6.081 -1.036 800 H422 PNS 102 H422 PNS 102 22.878 5.636 -3.355 801 H421 PNS 102 H421 PNS 102 24.144 5.551 -2.120 802 H431 PNS 102 H431 PNS 102 23.069 3.726 -1.020 803 H432 PNS 102 H432 PNS 102 23.069 3.338 -2.744 804 H44 PNS 102 H44 PNS 102 20.579 2.752 -2.710 Start of MODEL 18 1 H1 MET 1 HT1 MET 1 -12.535 7.989 -4.614 2 H2 MET 1 HT2 MET 1 -12.494 8.036 -6.300 3 H3 MET 1 HT3 MET 1 -11.943 6.665 -5.473 4 HA MET 1 HA MET 1 -14.728 7.658 -5.427 5 HB2 MET 1 HB2 MET 1 -13.495 5.343 -6.983 6 HB3 MET 1 HB1 MET 1 -15.224 5.632 -6.846 7 HG2 MET 1 HG2 MET 1 -14.903 7.822 -7.980 8 HG3 MET 1 HG1 MET 1 -13.196 7.423 -8.197 9 HE1 MET 1 HE1 MET 1 -13.489 7.820 -10.864 10 HE2 MET 1 HE2 MET 1 -15.192 8.204 -10.601 11 HE3 MET 1 HE3 MET 1 -14.733 7.013 -11.817 12 H THR 2 HN THR 2 -13.552 7.317 -3.059 13 HA THR 2 HA THR 2 -13.479 6.230 -1.071 14 HB THR 2 HB THR 2 -15.925 4.687 -2.079 15 HG1 THR 2 HG1 THR 2 -15.994 7.052 -2.363 16 HG21 THR 2 HG21 THR 2 -15.114 3.933 0.137 17 HG22 THR 2 HG22 THR 2 -16.659 4.771 0.274 18 HG23 THR 2 HG23 THR 2 -15.169 5.598 0.728 19 H SER 3 HN SER 3 -11.560 5.306 -2.510 20 HA SER 3 HA SER 3 -11.532 2.333 -2.398 21 HB2 SER 3 HB2 SER 3 -11.566 3.238 -4.740 22 HB3 SER 3 HB1 SER 3 -10.124 4.188 -4.388 23 HG SER 3 HG SER 3 -10.349 1.353 -4.474 24 H THR 4 HN THR 4 -8.931 1.786 -2.661 25 HA THR 4 HA THR 4 -7.588 2.336 -0.283 26 HB THR 4 HB THR 4 -6.310 1.606 -2.968 27 HG1 THR 4 HG1 THR 4 -6.693 -0.525 -2.363 28 HG21 THR 4 HG21 THR 4 -5.313 1.095 -0.133 29 HG22 THR 4 HG22 THR 4 -4.629 2.266 -1.263 30 HG23 THR 4 HG23 THR 4 -4.538 0.539 -1.616 31 H PHE 5 HN PHE 5 -7.312 3.894 -3.467 32 HA PHE 5 HA PHE 5 -5.329 5.784 -3.062 33 HB2 PHE 5 HB2 PHE 5 -6.177 5.562 -5.284 34 HB3 PHE 5 HB1 PHE 5 -7.840 5.832 -4.772 35 HD1 PHE 5 HD1 PHE 5 -4.527 7.656 -4.813 36 HD2 PHE 5 HD2 PHE 5 -8.785 7.952 -5.213 37 HE1 PHE 5 HE1 PHE 5 -4.328 10.060 -5.294 38 HE2 PHE 5 HE2 PHE 5 -8.560 10.354 -5.701 39 HZ PHE 5 HZ PHE 5 -6.337 11.409 -5.735 40 H ASP 6 HN ASP 6 -8.796 6.076 -2.323 41 HA ASP 6 HA ASP 6 -8.764 8.803 -1.525 42 HB2 ASP 6 HB2 ASP 6 -10.784 6.600 -0.942 43 HB3 ASP 6 HB1 ASP 6 -11.046 8.317 -0.605 44 H ARG 7 HN ARG 7 -8.540 5.760 0.270 45 HA ARG 7 HA ARG 7 -8.469 6.752 2.903 46 HB2 ARG 7 HB2 ARG 7 -7.117 4.287 1.703 47 HB3 ARG 7 HB1 ARG 7 -7.179 4.628 3.431 48 HG2 ARG 7 HG2 ARG 7 -9.603 4.188 1.658 49 HG3 ARG 7 HG1 ARG 7 -8.871 2.973 2.715 50 HD2 ARG 7 HD2 ARG 7 -9.292 4.545 4.656 51 HD3 ARG 7 HD1 ARG 7 -10.218 5.566 3.545 52 HE ARG 7 HE ARG 7 -11.363 3.122 3.237 53 HH11 ARG 7 HH11 ARG 7 -10.769 5.103 6.077 54 HH12 ARG 7 HH12 ARG 7 -12.071 4.396 6.982 55 HH21 ARG 7 HH21 ARG 7 -13.052 2.201 4.433 56 HH22 ARG 7 HH22 ARG 7 -13.357 2.745 6.052 57 H VAL 8 HN VAL 8 -5.830 6.071 0.612 58 HA VAL 8 HA VAL 8 -3.641 6.873 2.201 59 HB VAL 8 HB VAL 8 -3.942 6.747 -0.838 60 HG11 VAL 8 HG11 VAL 8 -2.043 8.228 -0.276 61 HG12 VAL 8 HG12 VAL 8 -1.464 6.708 -0.955 62 HG13 VAL 8 HG13 VAL 8 -1.372 6.984 0.783 63 HG21 VAL 8 HG21 VAL 8 -4.295 4.595 0.334 64 HG22 VAL 8 HG22 VAL 8 -2.717 4.755 1.107 65 HG23 VAL 8 HG23 VAL 8 -2.827 4.566 -0.645 66 H ALA 9 HN ALA 9 -5.663 8.620 -0.094 67 HA ALA 9 HA ALA 9 -4.314 11.074 -0.206 68 HB1 ALA 9 HB1 ALA 9 -6.430 11.926 -1.146 69 HB2 ALA 9 HB2 ALA 9 -7.266 10.468 -0.598 70 HB3 ALA 9 HB3 ALA 9 -6.016 10.357 -1.840 71 H THR 10 HN THR 10 -6.971 9.935 1.857 72 HA THR 10 HA THR 10 -7.319 12.186 3.492 73 HB THR 10 HB THR 10 -7.706 9.239 4.153 74 HG1 THR 10 HG1 THR 10 -8.965 10.276 2.398 75 HG21 THR 10 HG21 THR 10 -9.236 9.971 5.948 76 HG22 THR 10 HG22 THR 10 -8.812 11.654 5.630 77 HG23 THR 10 HG23 THR 10 -7.592 10.540 6.252 78 H ILE 11 HN ILE 11 -5.115 9.414 3.808 79 HA ILE 11 HA ILE 11 -3.925 10.057 6.272 80 HB ILE 11 HB ILE 11 -2.956 8.410 3.902 81 HG12 ILE 11 HG12 ILE 11 -4.027 7.535 6.622 82 HG13 ILE 11 HG11 ILE 11 -4.995 7.621 5.158 83 HG21 ILE 11 HG21 ILE 11 -1.246 7.407 5.409 84 HG22 ILE 11 HG22 ILE 11 -1.620 8.642 6.612 85 HG23 ILE 11 HG23 ILE 11 -0.942 9.108 5.052 86 HD11 ILE 11 HD11 ILE 11 -2.637 5.798 5.620 87 HD12 ILE 11 HD12 ILE 11 -3.614 5.872 4.147 88 HD13 ILE 11 HD13 ILE 11 -4.342 5.352 5.668 89 H ILE 12 HN ILE 12 -3.052 11.054 2.935 90 HA ILE 12 HA ILE 12 -0.573 12.321 3.613 91 HB ILE 12 HB ILE 12 -2.420 12.720 1.210 92 HG12 ILE 12 HG12 ILE 12 0.148 11.080 1.459 93 HG13 ILE 12 HG11 ILE 12 -1.480 10.413 1.434 94 HG21 ILE 12 HG21 ILE 12 -0.486 13.763 0.052 95 HG22 ILE 12 HG22 ILE 12 0.449 13.678 1.546 96 HG23 ILE 12 HG23 ILE 12 -0.985 14.702 1.461 97 HD11 ILE 12 HD11 ILE 12 -0.142 11.895 -0.827 98 HD12 ILE 12 HD12 ILE 12 -1.777 11.228 -0.851 99 HD13 ILE 12 HD13 ILE 12 -0.388 10.154 -0.707 100 H ALA 13 HN ALA 13 -3.901 13.441 3.121 101 HA ALA 13 HA ALA 13 -3.673 16.138 3.716 102 HB1 ALA 13 HB1 ALA 13 -6.084 16.020 4.250 103 HB2 ALA 13 HB2 ALA 13 -5.981 14.259 4.336 104 HB3 ALA 13 HB3 ALA 13 -5.698 15.087 2.802 105 H GLU 14 HN GLU 14 -4.016 13.397 6.010 106 HA GLU 14 HA GLU 14 -4.211 15.001 8.374 107 HB2 GLU 14 HB2 GLU 14 -3.531 12.057 7.958 108 HB3 GLU 14 HB1 GLU 14 -3.718 12.791 9.548 109 HG2 GLU 14 HG2 GLU 14 -5.869 12.614 7.419 110 HG3 GLU 14 HG1 GLU 14 -5.736 11.564 8.828 111 H THR 15 HN THR 15 -1.491 13.444 6.694 112 HA THR 15 HA THR 15 0.338 13.774 8.913 113 HB THR 15 HB THR 15 0.831 12.787 6.070 114 HG1 THR 15 HG1 THR 15 -0.469 11.341 7.130 115 HG21 THR 15 HG21 THR 15 2.932 11.811 6.969 116 HG22 THR 15 HG22 THR 15 2.646 12.629 8.507 117 HG23 THR 15 HG23 THR 15 2.944 13.577 7.047 118 H CYS 16 HN CYS 16 -0.173 15.343 5.748 119 HA CYS 16 HA CYS 16 2.248 16.988 6.104 120 HB2 CYS 16 HB2 CYS 16 2.556 15.189 4.419 121 HB3 CYS 16 HB1 CYS 16 1.144 15.761 3.532 122 HG CYS 16 HG CYS 16 3.041 18.335 3.829 123 H ASP 17 HN ASP 17 -1.019 17.113 6.170 124 HA ASP 17 HA ASP 17 -2.718 18.519 5.700 125 HB2 ASP 17 HB2 ASP 17 -1.361 19.821 7.369 126 HB3 ASP 17 HB1 ASP 17 -0.579 20.671 6.044 127 H ILE 18 HN ILE 18 -2.526 17.509 3.491 128 HA ILE 18 HA ILE 18 -2.135 19.565 1.386 129 HB ILE 18 HB ILE 18 -2.072 16.523 1.056 130 HG12 ILE 18 HG12 ILE 18 -0.062 17.263 2.283 131 HG13 ILE 18 HG11 ILE 18 0.373 16.759 0.656 132 HG21 ILE 18 HG21 ILE 18 -1.459 18.704 -0.986 133 HG22 ILE 18 HG22 ILE 18 -2.878 17.651 -0.970 134 HG23 ILE 18 HG23 ILE 18 -1.276 16.966 -1.245 135 HD11 ILE 18 HD11 ILE 18 0.136 19.607 1.635 136 HD12 ILE 18 HD12 ILE 18 0.529 19.122 -0.017 137 HD13 ILE 18 HD13 ILE 18 1.619 18.713 1.303 138 HA PRO 19 HA PRO 19 -6.665 19.522 1.276 139 HB2 PRO 19 HB2 PRO 19 -6.279 20.682 -1.483 140 HB3 PRO 19 HB1 PRO 19 -7.241 21.294 -0.130 141 HG2 PRO 19 HG2 PRO 19 -4.925 22.448 -0.763 142 HG3 PRO 19 HG1 PRO 19 -5.381 22.231 0.941 143 HD2 PRO 19 HD2 PRO 19 -3.456 20.608 -0.731 144 HD3 PRO 19 HD1 PRO 19 -3.293 21.167 0.949 145 H ARG 20 HN ARG 20 -7.949 17.823 0.799 146 HA ARG 20 HA ARG 20 -7.247 15.628 -0.768 147 HB2 ARG 20 HB2 ARG 20 -8.910 15.512 1.057 148 HB3 ARG 20 HB1 ARG 20 -10.022 16.510 0.129 149 HG2 ARG 20 HG2 ARG 20 -10.689 14.154 0.056 150 HG3 ARG 20 HG1 ARG 20 -10.257 14.736 -1.551 151 HD2 ARG 20 HD2 ARG 20 -7.970 13.695 -1.212 152 HD3 ARG 20 HD1 ARG 20 -8.595 12.970 0.272 153 HE ARG 20 HE ARG 20 -9.913 11.519 -0.989 154 HH11 ARG 20 HH11 ARG 20 -8.206 13.728 -3.151 155 HH12 ARG 20 HH12 ARG 20 -8.556 12.783 -4.563 156 HH21 ARG 20 HH21 ARG 20 -10.361 10.313 -2.862 157 HH22 ARG 20 HH22 ARG 20 -9.767 10.863 -4.395 158 H GLU 21 HN GLU 21 -8.975 18.569 -1.694 159 HA GLU 21 HA GLU 21 -10.118 17.663 -4.135 160 HB2 GLU 21 HB2 GLU 21 -10.414 20.103 -4.626 161 HB3 GLU 21 HB1 GLU 21 -11.012 19.653 -3.036 162 HG2 GLU 21 HG2 GLU 21 -8.998 20.573 -1.983 163 HG3 GLU 21 HG1 GLU 21 -8.344 20.986 -3.566 164 H THR 22 HN THR 22 -6.988 18.980 -3.210 165 HA THR 22 HA THR 22 -6.021 19.101 -5.992 166 HB THR 22 HB THR 22 -4.013 20.211 -5.019 167 HG1 THR 22 HG1 THR 22 -4.569 19.047 -2.836 168 HG21 THR 22 HG21 THR 22 -6.606 21.461 -4.035 169 HG22 THR 22 HG22 THR 22 -5.924 21.646 -5.653 170 HG23 THR 22 HG23 THR 22 -5.073 22.309 -4.256 171 H ILE 23 HN ILE 23 -6.537 16.538 -4.308 172 HA ILE 23 HA ILE 23 -3.891 15.291 -4.761 173 HB ILE 23 HB ILE 23 -6.175 14.452 -2.907 174 HG12 ILE 23 HG12 ILE 23 -3.281 15.219 -2.279 175 HG13 ILE 23 HG11 ILE 23 -4.681 16.254 -2.025 176 HG21 ILE 23 HG21 ILE 23 -4.758 12.508 -2.268 177 HG22 ILE 23 HG22 ILE 23 -3.626 12.928 -3.548 178 HG23 ILE 23 HG23 ILE 23 -5.269 12.437 -3.953 179 HD11 ILE 23 HD11 ILE 23 -4.096 13.654 -0.607 180 HD12 ILE 23 HD12 ILE 23 -5.530 14.654 -0.358 181 HD13 ILE 23 HD13 ILE 23 -3.935 15.282 0.052 182 H THR 24 HN THR 24 -4.055 14.801 -6.885 183 HA THR 24 HA THR 24 -6.360 13.321 -7.959 184 HB THR 24 HB THR 24 -5.100 13.583 -10.171 185 HG1 THR 24 HG1 THR 24 -3.386 15.228 -10.076 186 HG21 THR 24 HG21 THR 24 -5.576 15.991 -10.441 187 HG22 THR 24 HG22 THR 24 -5.708 16.178 -8.690 188 HG23 THR 24 HG23 THR 24 -6.879 15.187 -9.565 189 HA PRO 25 HA PRO 25 -4.204 9.338 -7.817 190 HB2 PRO 25 HB2 PRO 25 -4.925 8.196 -10.243 191 HB3 PRO 25 HB1 PRO 25 -5.996 8.269 -8.835 192 HG2 PRO 25 HG2 PRO 25 -5.871 10.103 -11.225 193 HG3 PRO 25 HG1 PRO 25 -7.297 9.392 -10.441 194 HD2 PRO 25 HD2 PRO 25 -6.579 11.939 -9.955 195 HD3 PRO 25 HD1 PRO 25 -7.231 10.918 -8.650 196 H GLU 26 HN GLU 26 -3.618 11.635 -10.414 197 HA GLU 26 HA GLU 26 -1.241 10.207 -11.402 198 HB2 GLU 26 HB2 GLU 26 -1.301 11.824 -13.251 199 HB3 GLU 26 HB1 GLU 26 -2.867 11.040 -13.077 200 HG2 GLU 26 HG2 GLU 26 -3.782 13.020 -11.970 201 HG3 GLU 26 HG1 GLU 26 -2.210 13.816 -12.033 202 H SER 27 HN SER 27 -1.856 12.066 -8.851 203 HA SER 27 HA SER 27 0.101 14.177 -9.093 204 HB2 SER 27 HB2 SER 27 -1.873 14.464 -7.643 205 HB3 SER 27 HB1 SER 27 -1.371 13.101 -6.644 206 HG SER 27 HG SER 27 -0.059 15.593 -6.969 207 H HIS 28 HN HIS 28 2.207 14.118 -8.471 208 HA HIS 28 HA HIS 28 3.334 11.591 -7.456 209 HB2 HIS 28 HB2 HIS 28 4.278 12.758 -9.545 210 HB3 HIS 28 HB1 HIS 28 4.859 14.035 -8.472 211 HD2 HIS 28 HD2 HIS 28 5.842 10.596 -9.734 212 HE1 HIS 28 HE1 HIS 28 8.418 11.497 -6.515 213 HE2 HIS 28 HE2 HIS 28 8.106 10.116 -8.595 214 H ALA 29 HN ALA 29 3.863 11.482 -5.308 215 HA ALA 29 HA ALA 29 3.385 13.314 -3.367 216 HB1 ALA 29 HB1 ALA 29 4.779 11.926 -1.894 217 HB2 ALA 29 HB2 ALA 29 5.503 11.145 -3.305 218 HB3 ALA 29 HB3 ALA 29 3.786 10.929 -2.961 219 H ILE 30 HN ILE 30 6.460 13.024 -5.206 220 HA ILE 30 HA ILE 30 7.826 14.759 -3.249 221 HB ILE 30 HB ILE 30 9.095 13.219 -5.562 222 HG12 ILE 30 HG12 ILE 30 8.867 12.375 -2.629 223 HG13 ILE 30 HG11 ILE 30 8.076 11.593 -3.999 224 HG21 ILE 30 HG21 ILE 30 10.381 14.461 -3.093 225 HG22 ILE 30 HG22 ILE 30 10.442 15.133 -4.725 226 HG23 ILE 30 HG23 ILE 30 11.222 13.590 -4.381 227 HD11 ILE 30 HD11 ILE 30 11.054 11.703 -3.475 228 HD12 ILE 30 HD12 ILE 30 10.290 10.967 -4.887 229 HD13 ILE 30 HD13 ILE 30 9.988 10.313 -3.283 230 H ASP 31 HN ASP 31 6.949 14.479 -6.674 231 HA ASP 31 HA ASP 31 8.423 16.933 -7.385 232 HB2 ASP 31 HB2 ASP 31 7.253 14.683 -9.084 233 HB3 ASP 31 HB1 ASP 31 7.951 16.146 -9.776 234 H ASP 32 HN ASP 32 5.262 16.136 -6.537 235 HA ASP 32 HA ASP 32 4.215 18.530 -7.961 236 HB2 ASP 32 HB2 ASP 32 3.270 16.446 -8.948 237 HB3 ASP 32 HB1 ASP 32 2.694 15.946 -7.363 238 H LEU 33 HN LEU 33 3.414 16.314 -5.248 239 HA LEU 33 HA LEU 33 2.123 18.338 -3.693 240 HB2 LEU 33 HB2 LEU 33 3.084 15.583 -2.841 241 HB3 LEU 33 HB1 LEU 33 2.001 16.614 -1.919 242 HG LEU 33 HG LEU 33 1.382 15.293 -4.590 243 HD11 LEU 33 HD11 LEU 33 1.395 13.716 -2.730 244 HD12 LEU 33 HD12 LEU 33 -0.246 13.970 -3.318 245 HD13 LEU 33 HD13 LEU 33 0.280 14.735 -1.814 246 HD21 LEU 33 HD21 LEU 33 -0.391 17.110 -2.915 247 HD22 LEU 33 HD22 LEU 33 -0.912 16.185 -4.328 248 HD23 LEU 33 HD23 LEU 33 0.281 17.468 -4.507 249 H GLY 34 HN GLY 34 5.400 17.502 -4.144 250 HA2 GLY 34 HA2 GLY 34 7.346 18.354 -3.303 251 HA3 GLY 34 HA1 GLY 34 6.382 19.594 -2.518 252 H ILE 35 HN ILE 35 6.516 16.079 -2.091 253 HA ILE 35 HA ILE 35 6.931 16.387 0.823 254 HB ILE 35 HB ILE 35 5.698 14.048 -0.726 255 HG12 ILE 35 HG12 ILE 35 4.300 16.064 1.083 256 HG13 ILE 35 HG11 ILE 35 4.231 16.086 -0.674 257 HG21 ILE 35 HG21 ILE 35 6.838 13.273 1.316 258 HG22 ILE 35 HG22 ILE 35 5.091 13.107 1.471 259 HG23 ILE 35 HG23 ILE 35 5.922 14.432 2.285 260 HD11 ILE 35 HD11 ILE 35 3.130 13.943 1.138 261 HD12 ILE 35 HD12 ILE 35 3.091 13.893 -0.627 262 HD13 ILE 35 HD13 ILE 35 2.216 15.153 0.244 263 H ASP 36 HN ASP 36 8.954 15.794 1.498 264 HA ASP 36 HA ASP 36 10.761 14.279 -0.209 265 HB2 ASP 36 HB2 ASP 36 11.644 16.136 1.169 266 HB3 ASP 36 HB1 ASP 36 11.099 15.337 2.637 267 H SER 37 HN SER 37 11.900 12.325 0.729 268 HA SER 37 HA SER 37 10.046 10.269 1.157 269 HB2 SER 37 HB2 SER 37 12.088 8.843 1.530 270 HB3 SER 37 HB1 SER 37 12.161 9.829 0.064 271 H LEU 38 HN LEU 38 11.915 12.206 3.415 272 HA LEU 38 HA LEU 38 11.557 10.643 5.761 273 HB2 LEU 38 HB2 LEU 38 12.331 13.500 5.192 274 HB3 LEU 38 HB1 LEU 38 11.885 13.098 6.837 275 HG LEU 38 HG LEU 38 14.348 13.039 6.438 276 HD11 LEU 38 HD11 LEU 38 14.779 10.942 7.611 277 HD12 LEU 38 HD12 LEU 38 13.158 10.371 7.213 278 HD13 LEU 38 HD13 LEU 38 13.367 11.763 8.276 279 HD21 LEU 38 HD21 LEU 38 13.778 10.629 4.692 280 HD22 LEU 38 HD22 LEU 38 15.371 11.224 5.166 281 HD23 LEU 38 HD23 LEU 38 14.344 12.202 4.122 282 H ASP 39 HN ASP 39 9.602 13.299 4.380 283 HA ASP 39 HA ASP 39 7.627 13.291 6.487 284 HB2 ASP 39 HB2 ASP 39 7.401 14.384 3.651 285 HB3 ASP 39 HB1 ASP 39 6.339 14.777 5.009 286 H PHE 40 HN PHE 40 8.155 11.563 3.532 287 HA PHE 40 HA PHE 40 5.483 10.560 3.204 288 HB2 PHE 40 HB2 PHE 40 7.196 10.952 1.332 289 HB3 PHE 40 HB1 PHE 40 8.023 9.503 1.891 290 HD1 PHE 40 HD1 PHE 40 4.855 10.791 0.441 291 HD2 PHE 40 HD2 PHE 40 7.186 7.308 1.295 292 HE1 PHE 40 HE1 PHE 40 3.350 9.438 -0.943 293 HE2 PHE 40 HE2 PHE 40 5.674 5.967 -0.102 294 HZ PHE 40 HZ PHE 40 3.761 7.028 -1.218 295 H LEU 41 HN LEU 41 8.334 9.607 5.005 296 HA LEU 41 HA LEU 41 7.827 6.883 5.533 297 HB2 LEU 41 HB2 LEU 41 8.980 9.015 7.378 298 HB3 LEU 41 HB1 LEU 41 8.996 7.293 7.745 299 HG LEU 41 HG LEU 41 10.447 8.615 5.422 300 HD11 LEU 41 HD11 LEU 41 12.496 8.081 6.657 301 HD12 LEU 41 HD12 LEU 41 11.536 7.485 8.012 302 HD13 LEU 41 HD13 LEU 41 11.462 9.190 7.554 303 HD21 LEU 41 HD21 LEU 41 9.762 6.354 4.817 304 HD22 LEU 41 HD22 LEU 41 10.448 5.705 6.311 305 HD23 LEU 41 HD23 LEU 41 11.505 6.404 5.079 306 H ASP 42 HN ASP 42 6.745 9.813 7.238 307 HA ASP 42 HA ASP 42 5.143 8.584 9.221 308 HB2 ASP 42 HB2 ASP 42 5.016 11.394 8.044 309 HB3 ASP 42 HB1 ASP 42 4.094 10.882 9.457 310 H ILE 43 HN ILE 43 4.364 9.846 5.985 311 HA ILE 43 HA ILE 43 1.591 9.348 5.957 312 HB ILE 43 HB ILE 43 3.572 9.209 3.634 313 HG12 ILE 43 HG12 ILE 43 1.742 11.480 4.542 314 HG13 ILE 43 HG11 ILE 43 3.489 11.428 4.752 315 HG21 ILE 43 HG21 ILE 43 1.643 9.496 2.109 316 HG22 ILE 43 HG22 ILE 43 0.534 9.365 3.475 317 HG23 ILE 43 HG23 ILE 43 1.535 7.985 3.014 318 HD11 ILE 43 HD11 ILE 43 2.884 12.893 2.941 319 HD12 ILE 43 HD12 ILE 43 1.999 11.601 2.136 320 HD13 ILE 43 HD13 ILE 43 3.754 11.499 2.300 321 H ALA 44 HN ALA 44 4.372 7.190 5.224 322 HA ALA 44 HA ALA 44 2.736 5.064 4.195 323 HB1 ALA 44 HB1 ALA 44 5.689 5.123 4.926 324 HB2 ALA 44 HB2 ALA 44 5.012 5.484 3.337 325 HB3 ALA 44 HB3 ALA 44 4.872 3.857 4.001 326 H PHE 45 HN PHE 45 4.178 5.883 7.311 327 HA PHE 45 HA PHE 45 3.826 3.420 8.681 328 HB2 PHE 45 HB2 PHE 45 4.231 6.280 9.571 329 HB3 PHE 45 HB1 PHE 45 3.628 5.140 10.764 330 HD1 PHE 45 HD1 PHE 45 4.981 2.856 10.893 331 HD2 PHE 45 HD2 PHE 45 6.573 6.549 9.433 332 HE1 PHE 45 HE1 PHE 45 7.260 2.072 11.396 333 HE2 PHE 45 HE2 PHE 45 8.853 5.751 9.927 334 HZ PHE 45 HZ PHE 45 9.196 3.514 10.909 335 H ALA 46 HN ALA 46 1.774 6.267 8.271 336 HA ALA 46 HA ALA 46 -0.416 5.348 9.872 337 HB1 ALA 46 HB1 ALA 46 -1.666 7.213 8.844 338 HB2 ALA 46 HB2 ALA 46 -0.352 7.456 7.691 339 HB3 ALA 46 HB3 ALA 46 -0.077 7.734 9.410 340 H ILE 47 HN ILE 47 0.426 5.052 6.435 341 HA ILE 47 HA ILE 47 -1.945 3.800 5.496 342 HB ILE 47 HB ILE 47 0.942 3.619 4.523 343 HG12 ILE 47 HG12 ILE 47 -1.451 5.098 3.326 344 HG13 ILE 47 HG11 ILE 47 -0.209 5.850 4.315 345 HG21 ILE 47 HG21 ILE 47 0.108 2.607 2.426 346 HG22 ILE 47 HG22 ILE 47 -1.507 2.495 3.123 347 HG23 ILE 47 HG23 ILE 47 -0.182 1.556 3.814 348 HD11 ILE 47 HD11 ILE 47 0.223 4.575 1.618 349 HD12 ILE 47 HD12 ILE 47 1.465 5.343 2.608 350 HD13 ILE 47 HD13 ILE 47 0.133 6.302 1.959 351 H ASP 48 HN ASP 48 1.135 2.417 6.622 352 HA ASP 48 HA ASP 48 0.666 -0.286 6.341 353 HB2 ASP 48 HB2 ASP 48 2.392 1.206 8.352 354 HB3 ASP 48 HB1 ASP 48 2.357 -0.554 8.293 355 H LYS 49 HN LYS 49 0.187 1.656 9.261 356 HA LYS 49 HA LYS 49 -0.823 -0.484 10.843 357 HB2 LYS 49 HB2 LYS 49 -0.982 2.520 11.335 358 HB3 LYS 49 HB1 LYS 49 -1.257 1.265 12.543 359 HG2 LYS 49 HG2 LYS 49 1.095 0.518 12.306 360 HG3 LYS 49 HG1 LYS 49 1.372 1.772 11.095 361 HD2 LYS 49 HD2 LYS 49 0.800 3.494 12.859 362 HD3 LYS 49 HD1 LYS 49 0.718 2.182 14.038 363 HE2 LYS 49 HE2 LYS 49 3.183 2.977 12.437 364 HE3 LYS 49 HE1 LYS 49 2.892 3.340 14.135 365 HZ1 LYS 49 HZ1 LYS 49 3.163 0.611 12.996 366 HZ2 LYS 49 HZ2 LYS 49 2.922 0.983 14.624 367 HZ3 LYS 49 HZ3 LYS 49 4.360 1.441 13.858 368 H ALA 50 HN ALA 50 -2.396 2.082 8.911 369 HA ALA 50 HA ALA 50 -5.058 1.702 9.703 370 HB1 ALA 50 HB1 ALA 50 -5.696 2.798 7.595 371 HB2 ALA 50 HB2 ALA 50 -4.062 2.560 6.964 372 HB3 ALA 50 HB3 ALA 50 -4.331 3.624 8.346 373 H PHE 51 HN PHE 51 -3.409 0.310 6.859 374 HA PHE 51 HA PHE 51 -5.650 -1.410 6.208 375 HB2 PHE 51 HB2 PHE 51 -2.905 -1.070 4.934 376 HB3 PHE 51 HB1 PHE 51 -4.146 -2.140 4.307 377 HD1 PHE 51 HD2 PHE 51 -3.238 1.425 4.809 378 HD2 PHE 51 HD1 PHE 51 -6.015 -1.290 3.031 379 HE1 PHE 51 HE2 PHE 51 -4.135 3.246 3.432 380 HE2 PHE 51 HE1 PHE 51 -6.918 0.543 1.665 381 HZ PHE 51 HZ PHE 51 -5.978 2.806 1.858 382 H GLY 52 HN GLY 52 -3.164 -1.669 8.433 383 HA2 GLY 52 HA2 GLY 52 -2.374 -3.384 9.714 384 HA3 GLY 52 HA1 GLY 52 -3.584 -4.421 8.978 385 H ILE 53 HN ILE 53 -1.378 -2.853 6.845 386 HA ILE 53 HA ILE 53 0.125 -5.364 6.399 387 HB ILE 53 HB ILE 53 0.558 -4.414 4.061 388 HG12 ILE 53 HG12 ILE 53 -1.427 -2.744 3.329 389 HG13 ILE 53 HG11 ILE 53 -1.408 -2.296 5.020 390 HG21 ILE 53 HG21 ILE 53 -1.599 -5.157 3.160 391 HG22 ILE 53 HG22 ILE 53 -2.325 -5.036 4.764 392 HG23 ILE 53 HG23 ILE 53 -1.041 -6.212 4.461 393 HD11 ILE 53 HD11 ILE 53 0.917 -2.070 3.126 394 HD12 ILE 53 HD12 ILE 53 0.891 -1.548 4.813 395 HD13 ILE 53 HD13 ILE 53 -0.152 -0.761 3.627 396 H LYS 54 HN LYS 54 2.308 -4.645 5.148 397 HA LYS 54 HA LYS 54 3.349 -2.089 6.125 398 HB2 LYS 54 HB2 LYS 54 4.765 -4.766 6.477 399 HB3 LYS 54 HB1 LYS 54 5.653 -3.241 6.441 400 HG2 LYS 54 HG2 LYS 54 4.309 -2.444 8.380 401 HG3 LYS 54 HG1 LYS 54 3.502 -4.018 8.443 402 HD2 LYS 54 HD2 LYS 54 5.660 -5.110 8.894 403 HD3 LYS 54 HD1 LYS 54 6.490 -3.551 8.785 404 HE2 LYS 54 HE2 LYS 54 5.214 -2.743 10.737 405 HE3 LYS 54 HE1 LYS 54 4.381 -4.299 10.842 406 HZ1 LYS 54 HZ1 LYS 54 7.292 -3.851 11.144 407 HZ2 LYS 54 HZ2 LYS 54 6.521 -5.354 11.222 408 HZ3 LYS 54 HZ3 LYS 54 6.200 -4.179 12.392 409 H LEU 55 HN LEU 55 3.919 -0.945 4.425 410 HA LEU 55 HA LEU 55 4.567 -2.039 1.852 411 HB2 LEU 55 HB2 LEU 55 5.140 0.752 2.941 412 HB3 LEU 55 HB1 LEU 55 5.135 0.274 1.246 413 HG LEU 55 HG LEU 55 2.715 0.431 3.090 414 HD11 LEU 55 HD11 LEU 55 1.966 2.253 1.610 415 HD12 LEU 55 HD12 LEU 55 3.477 2.148 0.700 416 HD13 LEU 55 HD13 LEU 55 3.497 2.636 2.399 417 HD21 LEU 55 HD21 LEU 55 1.337 -0.185 1.181 418 HD22 LEU 55 HD22 LEU 55 2.504 -1.459 1.502 419 HD23 LEU 55 HD23 LEU 55 2.762 -0.348 0.153 420 HA PRO 56 HA PRO 56 9.027 -2.482 2.892 421 HB2 PRO 56 HB2 PRO 56 9.888 -3.308 0.428 422 HB3 PRO 56 HB1 PRO 56 9.106 -4.411 1.572 423 HG2 PRO 56 HG2 PRO 56 7.948 -3.002 -0.825 424 HG3 PRO 56 HG1 PRO 56 7.684 -4.668 -0.268 425 HD2 PRO 56 HD2 PRO 56 5.902 -2.620 0.199 426 HD3 PRO 56 HD1 PRO 56 6.074 -4.023 1.273 427 H LEU 57 HN LEU 57 8.317 -0.013 2.926 428 HA LEU 57 HA LEU 57 8.622 1.665 0.667 429 HB2 LEU 57 HB2 LEU 57 7.278 2.039 2.843 430 HB3 LEU 57 HB1 LEU 57 8.788 2.453 3.616 431 HG LEU 57 HG LEU 57 7.334 4.406 2.981 432 HD11 LEU 57 HD11 LEU 57 9.706 4.776 3.358 433 HD12 LEU 57 HD12 LEU 57 9.069 5.872 2.136 434 HD13 LEU 57 HD13 LEU 57 10.045 4.480 1.653 435 HD21 LEU 57 HD21 LEU 57 8.027 3.668 0.128 436 HD22 LEU 57 HD22 LEU 57 7.164 5.115 0.661 437 HD23 LEU 57 HD23 LEU 57 6.440 3.530 0.893 438 H GLU 58 HN GLU 58 10.710 0.702 3.338 439 HA GLU 58 HA GLU 58 12.958 2.327 2.975 440 HB2 GLU 58 HB2 GLU 58 13.000 -0.615 3.810 441 HB3 GLU 58 HB1 GLU 58 14.185 0.620 4.237 442 HG2 GLU 58 HG2 GLU 58 12.531 1.743 5.646 443 HG3 GLU 58 HG1 GLU 58 11.290 0.585 5.159 444 H LYS 59 HN LYS 59 12.114 -0.812 1.591 445 HA LYS 59 HA LYS 59 14.499 -1.217 0.070 446 HB2 LYS 59 HB2 LYS 59 13.082 -3.097 0.831 447 HB3 LYS 59 HB1 LYS 59 11.763 -2.528 -0.189 448 HG2 LYS 59 HG2 LYS 59 13.115 -2.962 -2.206 449 HG3 LYS 59 HG1 LYS 59 14.463 -3.500 -1.195 450 HD2 LYS 59 HD2 LYS 59 13.100 -5.378 -0.365 451 HD3 LYS 59 HD1 LYS 59 11.724 -4.822 -1.327 452 HE2 LYS 59 HE2 LYS 59 14.398 -5.707 -2.486 453 HE3 LYS 59 HE1 LYS 59 12.947 -6.712 -2.393 454 HZ1 LYS 59 HZ1 LYS 59 13.225 -5.676 -4.569 455 HZ2 LYS 59 HZ2 LYS 59 13.135 -4.137 -3.869 456 HZ3 LYS 59 HZ3 LYS 59 11.795 -5.168 -3.815 457 H TRP 60 HN TRP 60 11.224 -0.094 -0.716 458 HA TRP 60 HA TRP 60 11.325 0.178 -3.484 459 HB2 TRP 60 HB2 TRP 60 9.773 1.735 -1.379 460 HB3 TRP 60 HB1 TRP 60 9.565 2.046 -3.099 461 HD1 TRP 60 HD1 TRP 60 9.906 -1.514 -3.151 462 HE1 TRP 60 HE1 TRP 60 7.638 -2.699 -3.027 463 HE3 TRP 60 HE3 TRP 60 7.047 2.382 -1.474 464 HZ2 TRP 60 HZ2 TRP 60 4.987 -2.089 -2.328 465 HZ3 TRP 60 HZ3 TRP 60 4.640 2.001 -1.112 466 HH2 TRP 60 HH2 TRP 60 3.636 -0.192 -1.532 467 H THR 61 HN THR 61 12.178 2.460 -0.927 468 HA THR 61 HA THR 61 12.778 4.660 -2.630 469 HB THR 61 HB THR 61 13.616 4.193 0.266 470 HG1 THR 61 HG1 THR 61 11.275 4.246 -0.280 471 HG21 THR 61 HG21 THR 61 13.800 6.668 0.398 472 HG22 THR 61 HG22 THR 61 13.481 6.776 -1.334 473 HG23 THR 61 HG23 THR 61 14.953 5.994 -0.758 474 H GLN 62 HN GLN 62 14.701 1.945 -1.332 475 HA GLN 62 HA GLN 62 17.268 3.071 -2.011 476 HB2 GLN 62 HB2 GLN 62 16.446 0.195 -1.400 477 HB3 GLN 62 HB1 GLN 62 18.107 0.721 -1.654 478 HG2 GLN 62 HG2 GLN 62 16.264 1.538 0.593 479 HG3 GLN 62 HG1 GLN 62 17.676 0.494 0.711 480 HE21 GLN 62 HE21 GLN 62 19.804 1.490 0.472 481 HE22 GLN 62 HE22 GLN 62 20.004 3.175 0.789 482 H GLU 63 HN GLU 63 14.951 0.870 -3.531 483 HA GLU 63 HA GLU 63 16.348 0.124 -5.852 484 HB2 GLU 63 HB2 GLU 63 13.358 0.531 -5.407 485 HB3 GLU 63 HB1 GLU 63 14.038 -0.198 -6.861 486 HG2 GLU 63 HG2 GLU 63 14.922 -2.054 -5.566 487 HG3 GLU 63 HG1 GLU 63 14.363 -1.308 -4.066 488 H VAL 64 HN VAL 64 14.189 2.833 -5.217 489 HA VAL 64 HA VAL 64 14.192 4.072 -7.727 490 HB VAL 64 HB VAL 64 13.736 5.161 -4.919 491 HG11 VAL 64 HG11 VAL 64 14.491 7.065 -6.262 492 HG12 VAL 64 HG12 VAL 64 12.762 7.199 -5.952 493 HG13 VAL 64 HG13 VAL 64 13.333 6.664 -7.534 494 HG21 VAL 64 HG21 VAL 64 12.055 3.557 -5.751 495 HG22 VAL 64 HG22 VAL 64 11.794 4.545 -7.188 496 HG23 VAL 64 HG23 VAL 64 11.351 5.167 -5.593 497 H ASN 65 HN ASN 65 16.212 4.828 -4.854 498 HA ASN 65 HA ASN 65 17.920 6.658 -6.220 499 HB2 ASN 65 HB2 ASN 65 18.199 5.294 -3.504 500 HB3 ASN 65 HB1 ASN 65 19.377 6.447 -4.118 501 HD21 ASN 65 HD21 ASN 65 16.341 6.099 -2.544 502 HD22 ASN 65 HD22 ASN 65 15.930 7.767 -2.450 503 H ASP 66 HN ASP 66 17.916 3.189 -6.261 504 HA ASP 66 HA ASP 66 20.725 3.010 -7.060 505 HB2 ASP 66 HB2 ASP 66 19.603 1.292 -5.569 506 HB3 ASP 66 HB1 ASP 66 18.608 0.814 -6.933 507 H GLY 67 HN GLY 67 17.864 3.848 -8.614 508 HA2 GLY 67 HA2 GLY 67 17.249 3.975 -10.824 509 HA3 GLY 67 HA1 GLY 67 18.803 3.291 -11.266 510 H LYS 68 HN LYS 68 17.215 1.202 -9.103 511 HA LYS 68 HA LYS 68 16.437 -0.760 -11.042 512 HB2 LYS 68 HB2 LYS 68 15.631 -0.499 -8.113 513 HB3 LYS 68 HB1 LYS 68 15.275 -1.902 -9.120 514 HG2 LYS 68 HG2 LYS 68 17.661 -2.389 -9.336 515 HG3 LYS 68 HG1 LYS 68 18.059 -0.927 -8.420 516 HD2 LYS 68 HD2 LYS 68 16.868 -1.856 -6.446 517 HD3 LYS 68 HD1 LYS 68 16.503 -3.323 -7.361 518 HE2 LYS 68 HE2 LYS 68 18.861 -3.897 -7.470 519 HE3 LYS 68 HE1 LYS 68 19.321 -2.353 -6.738 520 HZ1 LYS 68 HZ1 LYS 68 19.341 -4.151 -5.132 521 HZ2 LYS 68 HZ2 LYS 68 17.708 -4.474 -5.427 522 HZ3 LYS 68 HZ3 LYS 68 18.166 -3.004 -4.729 523 H ALA 69 HN ALA 69 14.834 1.915 -9.502 524 HA ALA 69 HA ALA 69 12.529 1.685 -11.299 525 HB1 ALA 69 HB1 ALA 69 11.797 0.471 -9.267 526 HB2 ALA 69 HB2 ALA 69 10.901 1.976 -9.464 527 HB3 ALA 69 HB3 ALA 69 12.200 1.873 -8.273 528 H THR 70 HN THR 70 11.204 3.681 -11.185 529 HA THR 70 HA THR 70 12.765 6.123 -10.645 530 HB THR 70 HB THR 70 10.873 7.263 -11.864 531 HG1 THR 70 HG1 THR 70 9.281 5.991 -12.827 532 HG21 THR 70 HG21 THR 70 11.383 6.418 -14.111 533 HG22 THR 70 HG22 THR 70 12.096 4.958 -13.424 534 HG23 THR 70 HG23 THR 70 12.860 6.527 -13.149 535 H THR 71 HN THR 71 11.745 7.901 -9.403 536 HA THR 71 HA THR 71 10.418 7.275 -7.035 537 HB THR 71 HB THR 71 9.710 9.706 -6.912 538 HG1 THR 71 HG1 THR 71 11.019 9.996 -9.431 539 HG21 THR 71 HG21 THR 71 12.614 9.312 -7.732 540 HG22 THR 71 HG22 THR 71 11.953 9.086 -6.112 541 HG23 THR 71 HG23 THR 71 11.970 10.694 -6.835 542 H GLU 72 HN GLU 72 9.046 8.465 -10.089 543 HA GLU 72 HA GLU 72 6.404 8.617 -9.766 544 HB2 GLU 72 HB2 GLU 72 7.694 7.202 -12.144 545 HB3 GLU 72 HB1 GLU 72 6.089 7.917 -12.118 546 HG2 GLU 72 HG2 GLU 72 7.187 9.624 -13.159 547 HG3 GLU 72 HG1 GLU 72 7.468 10.127 -11.498 548 H GLN 73 HN GLN 73 8.097 5.578 -10.273 549 HA GLN 73 HA GLN 73 5.935 3.886 -10.714 550 HB2 GLN 73 HB2 GLN 73 8.418 3.415 -11.068 551 HB3 GLN 73 HB1 GLN 73 8.499 3.005 -9.359 552 HG2 GLN 73 HG2 GLN 73 6.821 1.203 -9.731 553 HG3 GLN 73 HG1 GLN 73 6.800 1.610 -11.451 554 HE21 GLN 73 HE21 GLN 73 8.539 0.033 -8.913 555 HE22 GLN 73 HE22 GLN 73 9.754 -0.691 -9.901 556 H TYR 74 HN TYR 74 7.230 4.994 -7.616 557 HA TYR 74 HA TYR 74 5.252 3.316 -6.159 558 HB2 TYR 74 HB2 TYR 74 7.921 4.413 -5.163 559 HB3 TYR 74 HB1 TYR 74 6.783 3.494 -4.183 560 HD1 TYR 74 HD2 TYR 74 6.006 1.185 -5.522 561 HD2 TYR 74 HD1 TYR 74 9.793 3.136 -5.847 562 HE1 TYR 74 HE2 TYR 74 7.041 -0.932 -6.216 563 HE2 TYR 74 HE1 TYR 74 10.829 1.016 -6.549 564 HH TYR 74 HH TYR 74 10.416 -1.394 -6.360 565 H PHE 75 HN PHE 75 6.191 6.617 -6.785 566 HA PHE 75 HA PHE 75 4.868 7.620 -4.347 567 HB2 PHE 75 HB2 PHE 75 6.970 8.871 -6.151 568 HB3 PHE 75 HB1 PHE 75 6.112 9.783 -4.920 569 HD1 PHE 75 HD2 PHE 75 8.577 7.030 -5.439 570 HD2 PHE 75 HD1 PHE 75 6.711 9.616 -2.591 571 HE1 PHE 75 HE2 PHE 75 10.269 6.411 -3.760 572 HE2 PHE 75 HE1 PHE 75 8.405 8.994 -0.925 573 HZ PHE 75 HZ PHE 75 10.180 7.384 -1.498 574 H VAL 76 HN VAL 76 3.970 7.071 -7.490 575 HA VAL 76 HA VAL 76 2.346 9.539 -7.716 576 HB VAL 76 HB VAL 76 2.629 7.196 -9.667 577 HG11 VAL 76 HG11 VAL 76 1.110 8.440 -11.190 578 HG12 VAL 76 HG12 VAL 76 0.832 9.640 -9.922 579 HG13 VAL 76 HG13 VAL 76 0.292 7.975 -9.693 580 HG21 VAL 76 HG21 VAL 76 3.395 10.132 -9.959 581 HG22 VAL 76 HG22 VAL 76 3.572 8.893 -11.205 582 HG23 VAL 76 HG23 VAL 76 4.517 8.790 -9.719 583 H LEU 77 HN LEU 77 0.283 9.488 -7.035 584 HA LEU 77 HA LEU 77 -0.167 7.721 -4.930 585 HB2 LEU 77 HB2 LEU 77 -2.172 9.659 -6.113 586 HB3 LEU 77 HB1 LEU 77 -2.183 9.000 -4.479 587 HG LEU 77 HG LEU 77 -0.143 10.934 -5.647 588 HD11 LEU 77 HD11 LEU 77 -2.246 11.977 -5.043 589 HD12 LEU 77 HD12 LEU 77 -0.949 12.498 -3.974 590 HD13 LEU 77 HD13 LEU 77 -2.135 11.316 -3.409 591 HD21 LEU 77 HD21 LEU 77 1.060 9.376 -4.201 592 HD22 LEU 77 HD22 LEU 77 -0.096 9.642 -2.896 593 HD23 LEU 77 HD23 LEU 77 0.953 10.957 -3.430 594 H LYS 78 HN LYS 78 -1.417 7.449 -8.203 595 HA LYS 78 HA LYS 78 -3.416 5.450 -7.570 596 HB2 LYS 78 HB2 LYS 78 -3.546 5.033 -10.001 597 HB3 LYS 78 HB1 LYS 78 -3.598 6.761 -9.663 598 HG2 LYS 78 HG2 LYS 78 -1.196 6.938 -10.256 599 HG3 LYS 78 HG1 LYS 78 -1.177 5.217 -10.644 600 HD2 LYS 78 HD2 LYS 78 -2.824 5.612 -12.448 601 HD3 LYS 78 HD1 LYS 78 -2.839 7.339 -12.061 602 HE2 LYS 78 HE2 LYS 78 -0.389 7.425 -12.586 603 HE3 LYS 78 HE1 LYS 78 -0.461 5.729 -13.069 604 HZ1 LYS 78 HZ1 LYS 78 -1.971 7.947 -14.323 605 HZ2 LYS 78 HZ2 LYS 78 -2.022 6.326 -14.794 606 HZ3 LYS 78 HZ3 LYS 78 -0.592 7.210 -14.957 607 H ASN 79 HN ASN 79 -0.029 5.419 -8.590 608 HA ASN 79 HA ASN 79 0.244 2.592 -8.954 609 HB2 ASN 79 HB2 ASN 79 2.406 4.691 -8.444 610 HB3 ASN 79 HB1 ASN 79 2.702 3.039 -8.983 611 HD21 ASN 79 HD21 ASN 79 3.470 5.474 -10.287 612 HD22 ASN 79 HD22 ASN 79 2.714 5.476 -11.839 613 H LEU 80 HN LEU 80 1.064 4.851 -6.367 614 HA LEU 80 HA LEU 80 2.080 3.162 -4.421 615 HB2 LEU 80 HB2 LEU 80 2.132 5.629 -4.258 616 HB3 LEU 80 HB1 LEU 80 0.387 5.675 -4.109 617 HG LEU 80 HG LEU 80 0.571 4.465 -1.922 618 HD11 LEU 80 HD11 LEU 80 2.705 3.310 -2.236 619 HD12 LEU 80 HD12 LEU 80 2.727 4.288 -0.770 620 HD13 LEU 80 HD13 LEU 80 3.563 4.858 -2.216 621 HD21 LEU 80 HD21 LEU 80 0.321 6.894 -1.968 622 HD22 LEU 80 HD22 LEU 80 2.074 7.096 -2.049 623 HD23 LEU 80 HD23 LEU 80 1.328 6.393 -0.610 624 H ALA 81 HN ALA 81 -1.297 4.223 -4.976 625 HA ALA 81 HA ALA 81 -2.528 2.841 -2.839 626 HB1 ALA 81 HB1 ALA 81 -4.647 3.277 -4.025 627 HB2 ALA 81 HB2 ALA 81 -3.749 3.693 -5.490 628 HB3 ALA 81 HB3 ALA 81 -3.602 4.703 -4.050 629 H ALA 82 HN ALA 82 -1.763 1.855 -6.146 630 HA ALA 82 HA ALA 82 -3.256 -0.577 -6.165 631 HB1 ALA 82 HB1 ALA 82 -2.551 0.527 -8.246 632 HB2 ALA 82 HB2 ALA 82 -1.922 -1.121 -8.171 633 HB3 ALA 82 HB3 ALA 82 -0.857 0.250 -7.840 634 H ARG 83 HN ARG 83 0.196 0.192 -5.591 635 HA ARG 83 HA ARG 83 1.233 -2.356 -5.093 636 HB2 ARG 83 HB2 ARG 83 2.048 0.343 -3.935 637 HB3 ARG 83 HB1 ARG 83 2.988 -1.123 -3.700 638 HG2 ARG 83 HG2 ARG 83 2.380 -0.092 -6.484 639 HG3 ARG 83 HG1 ARG 83 3.715 0.558 -5.534 640 HD2 ARG 83 HD2 ARG 83 4.608 -1.130 -6.992 641 HD3 ARG 83 HD1 ARG 83 4.646 -1.763 -5.347 642 HE ARG 83 HE ARG 83 2.298 -2.554 -6.821 643 HH11 ARG 83 HH11 ARG 83 5.654 -3.409 -6.172 644 HH12 ARG 83 HH12 ARG 83 5.448 -5.048 -6.701 645 HH21 ARG 83 HH21 ARG 83 2.083 -4.693 -7.545 646 HH22 ARG 83 HH22 ARG 83 3.439 -5.772 -7.469 647 H ILE 84 HN ILE 84 -0.260 -0.049 -2.865 648 HA ILE 84 HA ILE 84 0.081 -1.437 -0.430 649 HB ILE 84 HB ILE 84 -2.109 0.538 -1.223 650 HG12 ILE 84 HG12 ILE 84 0.465 1.123 0.304 651 HG13 ILE 84 HG11 ILE 84 0.304 1.358 -1.424 652 HG21 ILE 84 HG21 ILE 84 -2.411 0.960 1.203 653 HG22 ILE 84 HG22 ILE 84 -1.239 -0.306 1.572 654 HG23 ILE 84 HG23 ILE 84 -2.767 -0.721 0.794 655 HD11 ILE 84 HD11 ILE 84 0.084 3.422 -0.212 656 HD12 ILE 84 HD12 ILE 84 -1.279 2.772 0.697 657 HD13 ILE 84 HD13 ILE 84 -1.417 3.024 -1.047 658 H ASP 85 HN ASP 85 -2.685 -1.261 -2.701 659 HA ASP 85 HA ASP 85 -4.442 -2.979 -1.297 660 HB2 ASP 85 HB2 ASP 85 -5.088 -1.292 -3.067 661 HB3 ASP 85 HB1 ASP 85 -4.420 -2.366 -4.288 662 H GLU 86 HN GLU 86 -1.911 -3.609 -3.663 663 HA GLU 86 HA GLU 86 -2.501 -6.360 -4.201 664 HB2 GLU 86 HB2 GLU 86 0.035 -4.699 -4.548 665 HB3 GLU 86 HB1 GLU 86 -0.081 -6.387 -5.039 666 HG2 GLU 86 HG2 GLU 86 -1.846 -5.852 -6.622 667 HG3 GLU 86 HG1 GLU 86 -1.863 -4.174 -6.084 668 H LEU 87 HN LEU 87 -0.625 -4.660 -1.738 669 HA LEU 87 HA LEU 87 0.478 -7.068 -0.553 670 HB2 LEU 87 HB2 LEU 87 0.410 -4.183 0.417 671 HB3 LEU 87 HB1 LEU 87 1.196 -5.490 1.302 672 HG LEU 87 HG LEU 87 1.970 -4.555 -1.492 673 HD11 LEU 87 HD11 LEU 87 3.398 -4.110 1.140 674 HD12 LEU 87 HD12 LEU 87 2.527 -2.896 0.202 675 HD13 LEU 87 HD13 LEU 87 3.980 -3.637 -0.461 676 HD21 LEU 87 HD21 LEU 87 2.433 -6.948 -1.188 677 HD22 LEU 87 HD22 LEU 87 3.329 -6.606 0.294 678 HD23 LEU 87 HD23 LEU 87 3.932 -6.022 -1.260 679 H VAL 88 HN VAL 88 -2.416 -5.111 -0.100 680 HA VAL 88 HA VAL 88 -3.255 -6.339 2.379 681 HB VAL 88 HB VAL 88 -4.944 -4.860 0.306 682 HG11 VAL 88 HG11 VAL 88 -6.581 -4.537 2.154 683 HG12 VAL 88 HG12 VAL 88 -5.586 -5.552 3.201 684 HG13 VAL 88 HG13 VAL 88 -6.349 -6.244 1.768 685 HG21 VAL 88 HG21 VAL 88 -3.649 -3.775 2.838 686 HG22 VAL 88 HG22 VAL 88 -4.722 -2.866 1.770 687 HG23 VAL 88 HG23 VAL 88 -3.150 -3.411 1.189 688 H ALA 89 HN ALA 89 -3.706 -6.928 -1.048 689 HA ALA 89 HA ALA 89 -5.536 -9.121 -0.864 690 HB1 ALA 89 HB1 ALA 89 -5.007 -9.479 -3.253 691 HB2 ALA 89 HB2 ALA 89 -3.662 -8.339 -3.133 692 HB3 ALA 89 HB3 ALA 89 -5.320 -7.773 -2.927 693 H ALA 90 HN ALA 90 -2.014 -8.768 -1.101 694 HA ALA 90 HA ALA 90 -1.280 -11.511 -1.064 695 HB1 ALA 90 HB1 ALA 90 0.962 -10.707 -0.441 696 HB2 ALA 90 HB2 ALA 90 0.298 -9.109 -0.071 697 HB3 ALA 90 HB3 ALA 90 0.275 -9.711 -1.728 698 H LYS 91 HN LYS 91 -2.205 -9.252 1.437 699 HA LYS 91 HA LYS 91 -1.432 -10.887 3.691 700 HB2 LYS 91 HB2 LYS 91 -1.614 -8.366 3.783 701 HB3 LYS 91 HB1 LYS 91 -3.356 -8.525 3.590 702 HG2 LYS 91 HG2 LYS 91 -3.317 -9.942 5.744 703 HG3 LYS 91 HG1 LYS 91 -1.654 -9.390 5.944 704 HD2 LYS 91 HD2 LYS 91 -3.201 -8.023 7.271 705 HD3 LYS 91 HD1 LYS 91 -2.417 -7.049 6.027 706 HE2 LYS 91 HE2 LYS 91 -4.408 -7.022 4.680 707 HE3 LYS 91 HE1 LYS 91 -5.179 -8.259 5.669 708 HZ1 LYS 91 HZ1 LYS 91 -4.446 -5.571 6.630 709 HZ2 LYS 91 HZ2 LYS 91 -5.315 -6.738 7.480 710 HZ3 LYS 91 HZ3 LYS 91 -5.988 -6.012 6.106 711 H GLY 92 HN GLY 92 -4.140 -10.681 1.512 712 HA2 GLY 92 HA2 GLY 92 -6.191 -11.911 3.047 713 HA3 GLY 92 HA1 GLY 92 -6.056 -11.897 1.288 714 H ALA 93 HN ALA 93 -3.542 -13.200 1.040 715 HA ALA 93 HA ALA 93 -3.949 -15.902 2.174 716 HB1 ALA 93 HB1 ALA 93 -2.284 -16.621 0.478 717 HB2 ALA 93 HB2 ALA 93 -2.114 -14.952 -0.069 718 HB3 ALA 93 HB3 ALA 93 -3.648 -15.799 -0.279 719 H LEU 94 HN LEU 94 -1.399 -16.843 2.347 720 HA LEU 94 HA LEU 94 0.556 -16.909 3.523 721 HB2 LEU 94 HB2 LEU 94 0.400 -13.865 3.416 722 HB3 LEU 94 HB1 LEU 94 1.791 -14.755 4.012 723 HG LEU 94 HG LEU 94 0.765 -14.806 1.145 724 HD11 LEU 94 HD11 LEU 94 2.810 -13.535 0.603 725 HD12 LEU 94 HD12 LEU 94 3.205 -13.423 2.321 726 HD13 LEU 94 HD13 LEU 94 1.751 -12.640 1.692 727 HD21 LEU 94 HD21 LEU 94 3.240 -16.108 2.349 728 HD22 LEU 94 HD22 LEU 94 2.843 -16.041 0.628 729 HD23 LEU 94 HD23 LEU 94 1.809 -16.939 1.732 730 H GLU 95 HN GLU 95 -2.105 -16.783 4.839 731 HA GLU 95 HA GLU 95 -1.932 -15.125 7.165 732 HB2 GLU 95 HB2 GLU 95 -3.968 -17.258 6.428 733 HB3 GLU 95 HB1 GLU 95 -4.118 -16.128 7.777 734 HG2 GLU 95 HG2 GLU 95 -3.968 -14.250 6.061 735 HG3 GLU 95 HG1 GLU 95 -4.111 -15.488 4.812 736 H HIS 96 HN HIS 96 -0.114 -15.766 8.202 737 HA HIS 96 HA HIS 96 0.132 -18.425 9.434 738 HB2 HIS 96 HB2 HIS 96 2.058 -17.407 8.189 739 HB3 HIS 96 HB1 HIS 96 2.063 -16.046 9.300 740 HD1 HIS 96 HD1 HIS 96 3.313 -16.320 11.472 741 HD2 HIS 96 HD2 HIS 96 3.031 -19.884 9.353 742 HE1 HIS 96 HE1 HIS 96 4.856 -17.915 12.642 743 HE2 HIS 96 HE2 HIS 96 4.721 -20.036 11.306 744 H HIS 97 HN HIS 97 -1.960 -16.587 10.273 745 HA HIS 97 HA HIS 97 -3.067 -15.917 12.104 746 HB2 HIS 97 HB2 HIS 97 -0.848 -17.358 13.601 747 HB3 HIS 97 HB1 HIS 97 -2.215 -16.601 14.418 748 HD1 HIS 97 HD1 HIS 97 -3.598 -18.520 15.187 749 HD2 HIS 97 HD2 HIS 97 -2.356 -19.005 11.252 750 HE1 HIS 97 HE1 HIS 97 -4.739 -20.603 14.382 751 HE2 HIS 97 HE2 HIS 97 -4.137 -20.752 11.940 752 H HIS 98 HN HIS 98 -0.524 -14.410 11.001 753 HA HIS 98 HA HIS 98 0.032 -12.439 13.036 754 HB2 HIS 98 HB2 HIS 98 1.636 -12.892 11.184 755 HB3 HIS 98 HB1 HIS 98 0.444 -12.379 10.005 756 HD1 HIS 98 HD1 HIS 98 -0.068 -9.801 9.893 757 HD2 HIS 98 HD2 HIS 98 3.075 -10.863 12.380 758 HE1 HIS 98 HE1 HIS 98 1.185 -7.669 10.325 759 HE2 HIS 98 HE2 HIS 98 3.070 -8.336 11.861 760 H HIS 99 HN HIS 99 -1.736 -11.367 13.758 761 HA HIS 99 HA HIS 99 -3.741 -10.393 13.959 762 HB2 HIS 99 HB2 HIS 99 -2.946 -8.542 12.642 763 HB3 HIS 99 HB1 HIS 99 -3.152 -9.429 11.139 764 HD1 HIS 99 HD1 HIS 99 -5.232 -8.985 9.918 765 HD2 HIS 99 HD2 HIS 99 -5.582 -7.914 13.912 766 HE1 HIS 99 HE1 HIS 99 -7.462 -7.861 10.113 767 HE2 HIS 99 HE2 HIS 99 -7.741 -7.436 12.567 768 H HIS 100 HN HIS 100 -4.731 -12.334 14.285 769 HA HIS 100 HA HIS 100 -6.083 -13.721 12.071 770 HB2 HIS 100 HB2 HIS 100 -6.630 -15.428 13.838 771 HB3 HIS 100 HB1 HIS 100 -4.905 -15.171 13.647 772 HD1 HIS 100 HD1 HIS 100 -3.809 -13.510 15.554 773 HD2 HIS 100 HD2 HIS 100 -7.497 -15.230 16.436 774 HE1 HIS 100 HE1 HIS 100 -4.114 -13.222 18.036 775 HE2 HIS 100 HE2 HIS 100 -6.264 -14.428 18.564 776 H HIS 101 HN HIS 101 -7.902 -12.674 11.477 777 HA HIS 101 HA HIS 101 -9.922 -11.698 11.445 778 HB2 HIS 101 HB2 HIS 101 -10.777 -13.535 12.809 779 HB3 HIS 101 HB1 HIS 101 -10.191 -12.775 14.284 780 HD1 HIS 101 HD1 HIS 101 -11.554 -10.766 15.207 781 HD2 HIS 101 HD2 HIS 101 -13.238 -12.516 11.837 782 HE1 HIS 101 HE1 HIS 101 -13.877 -9.843 15.064 783 HE2 HIS 101 HE2 HIS 101 -14.776 -10.723 12.889 784 H282 PNS 102 H282 PNS 102 16.120 12.160 0.655 785 H281 PNS 102 H281 PNS 102 15.406 12.497 2.243 786 H303 PNS 102 H303 PNS 102 18.593 11.981 0.361 787 H302 PNS 102 H302 PNS 102 19.678 11.999 1.754 788 H301 PNS 102 H301 PNS 102 18.604 10.622 1.482 789 H313 PNS 102 H313 PNS 102 16.960 12.445 4.338 790 H312 PNS 102 H312 PNS 102 17.603 10.885 3.825 791 H311 PNS 102 H311 PNS 102 18.705 12.228 4.125 792 H32 PNS 102 H32 PNS 102 16.991 14.434 2.760 793 H33 PNS 102 H33 PNS 102 19.438 15.025 2.182 794 H36 PNS 102 H36 PNS 102 15.664 14.481 0.783 795 H372 PNS 102 H372 PNS 102 16.742 14.588 -1.871 796 H371 PNS 102 H371 PNS 102 15.128 15.070 -1.362 797 H382 PNS 102 H382 PNS 102 17.617 16.781 -1.142 798 H381 PNS 102 H381 PNS 102 16.388 16.933 -2.398 799 H41 PNS 102 H41 PNS 102 16.606 16.823 1.192 800 H422 PNS 102 H422 PNS 102 15.739 18.106 2.860 801 H421 PNS 102 H421 PNS 102 15.546 19.395 1.676 802 H431 PNS 102 H431 PNS 102 13.584 17.144 2.195 803 H432 PNS 102 H432 PNS 102 13.379 18.429 0.997 804 H44 PNS 102 H44 PNS 102 13.763 20.345 3.263 Start of MODEL 19 1 H1 MET 1 HT1 MET 1 -16.599 2.145 -2.937 2 H2 MET 1 HT2 MET 1 -15.726 0.833 -2.315 3 H3 MET 1 HT3 MET 1 -14.983 2.341 -2.494 4 HA MET 1 HA MET 1 -16.392 3.317 -0.845 5 HB2 MET 1 HB2 MET 1 -18.373 1.856 -1.308 6 HB3 MET 1 HB1 MET 1 -17.545 0.505 -0.554 7 HG2 MET 1 HG2 MET 1 -17.582 1.648 1.597 8 HG3 MET 1 HG1 MET 1 -18.335 3.066 0.862 9 HE1 MET 1 HE1 MET 1 -20.424 1.702 -1.165 10 HE2 MET 1 HE2 MET 1 -20.846 3.055 -0.119 11 HE3 MET 1 HE3 MET 1 -21.863 1.616 -0.146 12 H THR 2 HN THR 2 -15.098 3.652 0.888 13 HA THR 2 HA THR 2 -13.315 3.522 2.294 14 HB THR 2 HB THR 2 -13.905 0.530 2.553 15 HG1 THR 2 HG1 THR 2 -15.278 2.771 3.610 16 HG21 THR 2 HG21 THR 2 -13.158 0.803 4.887 17 HG22 THR 2 HG22 THR 2 -12.852 2.520 4.609 18 HG23 THR 2 HG23 THR 2 -11.880 1.305 3.774 19 H SER 3 HN SER 3 -12.910 3.296 -0.488 20 HA SER 3 HA SER 3 -11.282 1.106 -1.292 21 HB2 SER 3 HB2 SER 3 -11.676 3.797 -2.669 22 HB3 SER 3 HB1 SER 3 -11.125 2.295 -3.420 23 HG SER 3 HG SER 3 -13.204 2.179 -3.848 24 H THR 4 HN THR 4 -9.077 1.287 -2.126 25 HA THR 4 HA THR 4 -7.362 1.900 -0.041 26 HB THR 4 HB THR 4 -6.551 1.456 -2.950 27 HG1 THR 4 HG1 THR 4 -6.666 -0.699 -2.490 28 HG21 THR 4 HG21 THR 4 -4.996 1.031 -0.359 29 HG22 THR 4 HG22 THR 4 -4.662 2.260 -1.579 30 HG23 THR 4 HG23 THR 4 -4.444 0.554 -1.966 31 H PHE 5 HN PHE 5 -7.731 3.671 -3.159 32 HA PHE 5 HA PHE 5 -5.718 5.586 -2.612 33 HB2 PHE 5 HB2 PHE 5 -6.428 5.224 -4.931 34 HB3 PHE 5 HB1 PHE 5 -8.062 5.775 -4.560 35 HD1 PHE 5 HD1 PHE 5 -4.489 6.947 -4.473 36 HD2 PHE 5 HD2 PHE 5 -8.602 8.093 -4.849 37 HE1 PHE 5 HE1 PHE 5 -3.830 9.284 -4.803 38 HE2 PHE 5 HE2 PHE 5 -7.904 10.426 -5.196 39 HZ PHE 5 HZ PHE 5 -5.523 11.020 -5.165 40 H ASP 6 HN ASP 6 -9.219 5.585 -1.980 41 HA ASP 6 HA ASP 6 -9.505 8.313 -1.250 42 HB2 ASP 6 HB2 ASP 6 -11.127 5.875 -0.409 43 HB3 ASP 6 HB1 ASP 6 -11.600 7.541 -0.065 44 H ARG 7 HN ARG 7 -8.888 5.409 0.620 45 HA ARG 7 HA ARG 7 -8.682 6.438 3.211 46 HB2 ARG 7 HB2 ARG 7 -7.323 4.083 1.851 47 HB3 ARG 7 HB1 ARG 7 -7.196 4.386 3.580 48 HG2 ARG 7 HG2 ARG 7 -9.884 4.050 2.214 49 HG3 ARG 7 HG1 ARG 7 -8.940 2.666 2.774 50 HD2 ARG 7 HD2 ARG 7 -9.785 4.964 4.585 51 HD3 ARG 7 HD1 ARG 7 -10.707 3.469 4.393 52 HE ARG 7 HE ARG 7 -8.670 2.277 5.185 53 HH11 ARG 7 HH11 ARG 7 -9.097 5.631 6.158 54 HH12 ARG 7 HH12 ARG 7 -8.158 5.441 7.602 55 HH21 ARG 7 HH21 ARG 7 -7.461 2.056 7.058 56 HH22 ARG 7 HH22 ARG 7 -7.248 3.412 8.119 57 H VAL 8 HN VAL 8 -6.151 5.909 0.732 58 HA VAL 8 HA VAL 8 -3.926 6.898 2.152 59 HB VAL 8 HB VAL 8 -4.446 6.652 -0.845 60 HG11 VAL 8 HG11 VAL 8 -1.983 6.885 -1.196 61 HG12 VAL 8 HG12 VAL 8 -1.796 7.327 0.502 62 HG13 VAL 8 HG13 VAL 8 -2.710 8.374 -0.586 63 HG21 VAL 8 HG21 VAL 8 -2.779 4.940 1.044 64 HG22 VAL 8 HG22 VAL 8 -2.999 4.653 -0.687 65 HG23 VAL 8 HG23 VAL 8 -4.375 4.518 0.413 66 H ALA 9 HN ALA 9 -6.216 8.566 -0.006 67 HA ALA 9 HA ALA 9 -4.941 11.057 -0.215 68 HB1 ALA 9 HB1 ALA 9 -6.778 10.358 -1.713 69 HB2 ALA 9 HB2 ALA 9 -7.151 11.902 -0.946 70 HB3 ALA 9 HB3 ALA 9 -7.916 10.419 -0.366 71 H THR 10 HN THR 10 -7.425 9.867 2.026 72 HA THR 10 HA THR 10 -7.716 12.113 3.678 73 HB THR 10 HB THR 10 -7.961 9.189 4.516 74 HG1 THR 10 HG1 THR 10 -9.531 9.169 3.123 75 HG21 THR 10 HG21 THR 10 -9.614 9.998 6.164 76 HG22 THR 10 HG22 THR 10 -9.341 11.661 5.636 77 HG23 THR 10 HG23 THR 10 -8.045 10.767 6.433 78 H ILE 11 HN ILE 11 -5.492 9.333 3.906 79 HA ILE 11 HA ILE 11 -4.221 9.938 6.333 80 HB ILE 11 HB ILE 11 -3.344 8.294 3.924 81 HG12 ILE 11 HG12 ILE 11 -4.275 7.423 6.699 82 HG13 ILE 11 HG11 ILE 11 -5.316 7.514 5.287 83 HG21 ILE 11 HG21 ILE 11 -1.264 8.978 4.992 84 HG22 ILE 11 HG22 ILE 11 -1.565 7.276 5.350 85 HG23 ILE 11 HG23 ILE 11 -1.877 8.506 6.579 86 HD11 ILE 11 HD11 ILE 11 -4.644 5.242 5.751 87 HD12 ILE 11 HD12 ILE 11 -2.946 5.682 5.609 88 HD13 ILE 11 HD13 ILE 11 -4.002 5.771 4.198 89 H ILE 12 HN ILE 12 -3.363 10.932 2.993 90 HA ILE 12 HA ILE 12 -0.826 12.091 3.590 91 HB ILE 12 HB ILE 12 -2.776 12.669 1.307 92 HG12 ILE 12 HG12 ILE 12 -0.291 10.908 1.280 93 HG13 ILE 12 HG11 ILE 12 -1.935 10.304 1.406 94 HG21 ILE 12 HG21 ILE 12 -1.232 14.561 1.530 95 HG22 ILE 12 HG22 ILE 12 -0.869 13.651 0.067 96 HG23 ILE 12 HG23 ILE 12 0.150 13.465 1.492 97 HD11 ILE 12 HD11 ILE 12 -0.778 11.807 -0.938 98 HD12 ILE 12 HD12 ILE 12 -2.438 11.211 -0.816 99 HD13 ILE 12 HD13 ILE 12 -1.088 10.074 -0.847 100 H ALA 13 HN ALA 13 -4.108 13.363 3.290 101 HA ALA 13 HA ALA 13 -3.729 16.057 3.852 102 HB1 ALA 13 HB1 ALA 13 -6.112 16.091 4.481 103 HB2 ALA 13 HB2 ALA 13 -6.116 14.329 4.582 104 HB3 ALA 13 HB3 ALA 13 -5.852 15.121 3.027 105 H GLU 14 HN GLU 14 -4.305 13.367 6.154 106 HA GLU 14 HA GLU 14 -4.403 15.055 8.466 107 HB2 GLU 14 HB2 GLU 14 -4.194 12.029 8.232 108 HB3 GLU 14 HB1 GLU 14 -4.538 12.903 9.724 109 HG2 GLU 14 HG2 GLU 14 -6.289 12.884 7.243 110 HG3 GLU 14 HG1 GLU 14 -6.565 11.922 8.691 111 H THR 15 HN THR 15 -1.822 13.216 6.885 112 HA THR 15 HA THR 15 -0.021 13.354 9.133 113 HB THR 15 HB THR 15 0.657 12.700 6.234 114 HG1 THR 15 HG1 THR 15 -0.325 10.884 6.619 115 HG21 THR 15 HG21 THR 15 2.633 13.259 7.627 116 HG22 THR 15 HG22 THR 15 2.615 11.553 7.175 117 HG23 THR 15 HG23 THR 15 2.137 12.038 8.804 118 H CYS 16 HN CYS 16 -0.007 14.956 5.875 119 HA CYS 16 HA CYS 16 2.224 16.663 6.794 120 HB2 CYS 16 HB2 CYS 16 1.449 15.679 4.010 121 HB3 CYS 16 HB1 CYS 16 2.778 16.795 4.340 122 HG CYS 16 HG CYS 16 4.403 15.069 5.562 123 H ASP 17 HN ASP 17 -0.946 17.000 6.689 124 HA ASP 17 HA ASP 17 -2.543 18.511 6.211 125 HB2 ASP 17 HB2 ASP 17 -1.255 19.762 7.907 126 HB3 ASP 17 HB1 ASP 17 -0.243 20.463 6.648 127 H ILE 18 HN ILE 18 -2.542 17.553 4.037 128 HA ILE 18 HA ILE 18 -1.984 19.521 1.881 129 HB ILE 18 HB ILE 18 -2.197 16.468 1.668 130 HG12 ILE 18 HG12 ILE 18 -0.115 17.152 2.845 131 HG13 ILE 18 HG11 ILE 18 0.231 16.417 1.287 132 HG21 ILE 18 HG21 ILE 18 -1.391 16.729 -0.661 133 HG22 ILE 18 HG22 ILE 18 -1.419 18.487 -0.486 134 HG23 ILE 18 HG23 ILE 18 -2.925 17.569 -0.411 135 HD11 ILE 18 HD11 ILE 18 1.683 18.294 1.732 136 HD12 ILE 18 HD12 ILE 18 0.299 19.372 1.900 137 HD13 ILE 18 HD13 ILE 18 0.659 18.628 0.338 138 HA PRO 19 HA PRO 19 -6.526 19.638 1.542 139 HB2 PRO 19 HB2 PRO 19 -6.099 20.384 -1.342 140 HB3 PRO 19 HB1 PRO 19 -6.992 21.241 -0.077 141 HG2 PRO 19 HG2 PRO 19 -4.609 22.138 -0.920 142 HG3 PRO 19 HG1 PRO 19 -5.069 22.240 0.792 143 HD2 PRO 19 HD2 PRO 19 -3.262 20.232 -0.564 144 HD3 PRO 19 HD1 PRO 19 -3.040 21.076 0.985 145 H ARG 20 HN ARG 20 -7.510 17.731 1.509 146 HA ARG 20 HA ARG 20 -6.738 15.406 0.207 147 HB2 ARG 20 HB2 ARG 20 -8.178 15.709 2.311 148 HB3 ARG 20 HB1 ARG 20 -9.546 15.993 1.250 149 HG2 ARG 20 HG2 ARG 20 -7.936 13.412 1.220 150 HG3 ARG 20 HG1 ARG 20 -9.318 13.659 2.282 151 HD2 ARG 20 HD2 ARG 20 -10.686 14.107 0.195 152 HD3 ARG 20 HD1 ARG 20 -9.302 13.562 -0.746 153 HE ARG 20 HE ARG 20 -10.220 11.688 1.270 154 HH11 ARG 20 HH11 ARG 20 -10.493 12.663 -2.105 155 HH12 ARG 20 HH12 ARG 20 -11.234 11.178 -2.588 156 HH21 ARG 20 HH21 ARG 20 -11.238 9.776 0.603 157 HH22 ARG 20 HH22 ARG 20 -11.670 9.556 -1.059 158 H GLU 21 HN GLU 21 -8.992 17.915 -0.817 159 HA GLU 21 HA GLU 21 -10.158 16.444 -3.007 160 HB2 GLU 21 HB2 GLU 21 -11.230 18.595 -3.603 161 HB3 GLU 21 HB1 GLU 21 -11.438 18.196 -1.900 162 HG2 GLU 21 HG2 GLU 21 -9.614 19.789 -1.334 163 HG3 GLU 21 HG1 GLU 21 -9.484 20.221 -3.043 164 H THR 22 HN THR 22 -7.228 18.315 -2.650 165 HA THR 22 HA THR 22 -6.848 18.589 -5.558 166 HB THR 22 HB THR 22 -4.814 19.875 -5.062 167 HG1 THR 22 HG1 THR 22 -4.824 18.588 -2.744 168 HG21 THR 22 HG21 THR 22 -7.094 20.777 -3.258 169 HG22 THR 22 HG22 THR 22 -6.951 21.114 -4.988 170 HG23 THR 22 HG23 THR 22 -5.779 21.791 -3.857 171 H ILE 23 HN ILE 23 -6.591 16.043 -3.560 172 HA ILE 23 HA ILE 23 -3.965 15.054 -4.429 173 HB ILE 23 HB ILE 23 -6.015 14.018 -2.413 174 HG12 ILE 23 HG12 ILE 23 -3.188 15.082 -1.988 175 HG13 ILE 23 HG11 ILE 23 -4.662 15.997 -1.689 176 HG21 ILE 23 HG21 ILE 23 -3.366 12.736 -3.148 177 HG22 ILE 23 HG22 ILE 23 -4.968 12.074 -3.462 178 HG23 ILE 23 HG23 ILE 23 -4.401 12.247 -1.803 179 HD11 ILE 23 HD11 ILE 23 -3.712 15.165 0.366 180 HD12 ILE 23 HD12 ILE 23 -3.780 13.508 -0.230 181 HD13 ILE 23 HD13 ILE 23 -5.276 14.399 0.076 182 H THR 24 HN THR 24 -4.208 14.472 -6.546 183 HA THR 24 HA THR 24 -6.436 12.727 -7.405 184 HB THR 24 HB THR 24 -5.484 13.193 -9.745 185 HG1 THR 24 HG1 THR 24 -3.401 13.955 -8.639 186 HG21 THR 24 HG21 THR 24 -7.444 14.446 -8.896 187 HG22 THR 24 HG22 THR 24 -6.421 15.472 -9.900 188 HG23 THR 24 HG23 THR 24 -6.367 15.628 -8.144 189 HA PRO 25 HA PRO 25 -3.816 9.099 -7.525 190 HB2 PRO 25 HB2 PRO 25 -4.963 8.321 -10.181 191 HB3 PRO 25 HB1 PRO 25 -5.001 7.460 -8.636 192 HG2 PRO 25 HG2 PRO 25 -7.209 8.649 -9.588 193 HG3 PRO 25 HG1 PRO 25 -6.841 8.668 -7.849 194 HD2 PRO 25 HD2 PRO 25 -6.410 10.857 -9.895 195 HD3 PRO 25 HD1 PRO 25 -7.096 10.961 -8.256 196 H GLU 26 HN GLU 26 -3.652 11.452 -10.117 197 HA GLU 26 HA GLU 26 -1.400 10.194 -11.496 198 HB2 GLU 26 HB2 GLU 26 -1.598 12.047 -13.067 199 HB3 GLU 26 HB1 GLU 26 -3.200 11.385 -12.773 200 HG2 GLU 26 HG2 GLU 26 -3.708 13.240 -11.235 201 HG3 GLU 26 HG1 GLU 26 -2.100 13.913 -11.492 202 H SER 27 HN SER 27 -1.715 11.841 -8.671 203 HA SER 27 HA SER 27 0.268 13.926 -8.960 204 HB2 SER 27 HB2 SER 27 -1.174 12.815 -6.514 205 HB3 SER 27 HB1 SER 27 -0.065 14.189 -6.471 206 HG SER 27 HG SER 27 -1.493 15.419 -7.416 207 H HIS 28 HN HIS 28 2.400 13.735 -8.619 208 HA HIS 28 HA HIS 28 3.585 11.328 -7.436 209 HB2 HIS 28 HB2 HIS 28 4.542 12.451 -9.524 210 HB3 HIS 28 HB1 HIS 28 4.978 13.831 -8.511 211 HD2 HIS 28 HD2 HIS 28 6.333 10.466 -9.579 212 HE1 HIS 28 HE1 HIS 28 8.754 11.780 -6.389 213 HE2 HIS 28 HE2 HIS 28 8.640 10.293 -8.419 214 H ALA 29 HN ALA 29 3.988 11.338 -5.249 215 HA ALA 29 HA ALA 29 3.241 13.189 -3.427 216 HB1 ALA 29 HB1 ALA 29 5.523 11.221 -3.088 217 HB2 ALA 29 HB2 ALA 29 3.807 10.859 -2.902 218 HB3 ALA 29 HB3 ALA 29 4.594 11.975 -1.784 219 H ILE 30 HN ILE 30 6.306 13.250 -5.190 220 HA ILE 30 HA ILE 30 7.474 15.208 -3.295 221 HB ILE 30 HB ILE 30 8.792 13.360 -5.332 222 HG12 ILE 30 HG12 ILE 30 8.914 13.384 -2.279 223 HG13 ILE 30 HG11 ILE 30 8.041 12.214 -3.262 224 HG21 ILE 30 HG21 ILE 30 10.978 14.183 -4.555 225 HG22 ILE 30 HG22 ILE 30 10.176 15.368 -3.523 226 HG23 ILE 30 HG23 ILE 30 10.031 15.487 -5.277 227 HD11 ILE 30 HD11 ILE 30 11.035 12.567 -3.150 228 HD12 ILE 30 HD12 ILE 30 10.176 11.412 -4.172 229 HD13 ILE 30 HD13 ILE 30 10.090 11.272 -2.419 230 H ASP 31 HN ASP 31 7.034 14.478 -6.743 231 HA ASP 31 HA ASP 31 8.179 16.957 -7.670 232 HB2 ASP 31 HB2 ASP 31 8.608 14.989 -8.975 233 HB3 ASP 31 HB1 ASP 31 6.904 14.559 -9.039 234 H ASP 32 HN ASP 32 4.917 15.729 -7.141 235 HA ASP 32 HA ASP 32 3.715 18.075 -8.488 236 HB2 ASP 32 HB2 ASP 32 2.942 15.887 -9.297 237 HB3 ASP 32 HB1 ASP 32 2.481 15.404 -7.673 238 H LEU 33 HN LEU 33 3.296 16.123 -5.474 239 HA LEU 33 HA LEU 33 1.576 18.083 -4.247 240 HB2 LEU 33 HB2 LEU 33 2.859 15.578 -3.104 241 HB3 LEU 33 HB1 LEU 33 1.644 16.543 -2.280 242 HG LEU 33 HG LEU 33 1.226 14.920 -4.827 243 HD11 LEU 33 HD11 LEU 33 1.434 13.534 -2.835 244 HD12 LEU 33 HD12 LEU 33 -0.227 13.526 -3.416 245 HD13 LEU 33 HD13 LEU 33 0.202 14.486 -1.999 246 HD21 LEU 33 HD21 LEU 33 -0.771 16.636 -3.300 247 HD22 LEU 33 HD22 LEU 33 -1.171 15.528 -4.615 248 HD23 LEU 33 HD23 LEU 33 -0.154 16.929 -4.929 249 H GLY 34 HN GLY 34 4.984 17.718 -4.389 250 HA2 GLY 34 HA2 GLY 34 6.710 18.919 -3.458 251 HA3 GLY 34 HA1 GLY 34 5.508 20.034 -2.823 252 H ILE 35 HN ILE 35 5.539 16.638 -2.020 253 HA ILE 35 HA ILE 35 6.112 17.192 0.822 254 HB ILE 35 HB ILE 35 5.080 14.664 -0.581 255 HG12 ILE 35 HG12 ILE 35 3.523 16.621 1.163 256 HG13 ILE 35 HG11 ILE 35 3.491 16.640 -0.598 257 HG21 ILE 35 HG21 ILE 35 4.559 13.788 1.671 258 HG22 ILE 35 HG22 ILE 35 5.293 15.212 2.404 259 HG23 ILE 35 HG23 ILE 35 6.291 14.083 1.489 260 HD11 ILE 35 HD11 ILE 35 1.538 15.546 0.291 261 HD12 ILE 35 HD12 ILE 35 2.536 14.397 1.176 262 HD13 ILE 35 HD13 ILE 35 2.526 14.383 -0.591 263 H ASP 36 HN ASP 36 8.159 16.729 1.553 264 HA ASP 36 HA ASP 36 10.202 15.587 -0.107 265 HB2 ASP 36 HB2 ASP 36 10.708 17.341 1.551 266 HB3 ASP 36 HB1 ASP 36 10.203 16.287 2.865 267 H SER 37 HN SER 37 11.479 13.604 0.450 268 HA SER 37 HA SER 37 9.755 11.405 0.489 269 HB2 SER 37 HB2 SER 37 11.921 11.355 -0.648 270 HB3 SER 37 HB1 SER 37 12.763 11.477 0.898 271 H LEU 38 HN LEU 38 11.628 12.898 3.096 272 HA LEU 38 HA LEU 38 11.368 10.830 5.026 273 HB2 LEU 38 HB2 LEU 38 11.837 13.813 5.272 274 HB3 LEU 38 HB1 LEU 38 11.654 12.819 6.701 275 HG LEU 38 HG LEU 38 14.005 13.207 6.278 276 HD11 LEU 38 HD11 LEU 38 13.416 11.061 7.261 277 HD12 LEU 38 HD12 LEU 38 14.861 10.927 6.261 278 HD13 LEU 38 HD13 LEU 38 13.312 10.329 5.656 279 HD21 LEU 38 HD21 LEU 38 13.931 13.630 3.872 280 HD22 LEU 38 HD22 LEU 38 13.626 11.920 3.559 281 HD23 LEU 38 HD23 LEU 38 15.159 12.433 4.268 282 H ASP 39 HN ASP 39 9.355 13.667 4.306 283 HA ASP 39 HA ASP 39 7.360 13.223 6.305 284 HB2 ASP 39 HB2 ASP 39 7.152 14.783 3.689 285 HB3 ASP 39 HB1 ASP 39 6.071 14.932 5.077 286 H PHE 40 HN PHE 40 7.841 12.086 3.008 287 HA PHE 40 HA PHE 40 5.279 10.928 2.565 288 HB2 PHE 40 HB2 PHE 40 6.800 11.333 0.679 289 HB3 PHE 40 HB1 PHE 40 8.006 10.252 1.369 290 HD1 PHE 40 HD1 PHE 40 4.548 10.323 -0.054 291 HD2 PHE 40 HD2 PHE 40 7.966 7.911 0.856 292 HE1 PHE 40 HE1 PHE 40 3.565 8.441 -1.284 293 HE2 PHE 40 HE2 PHE 40 6.964 6.034 -0.381 294 HZ PHE 40 HZ PHE 40 4.767 6.304 -1.456 295 H LEU 41 HN LEU 41 8.268 9.815 4.150 296 HA LEU 41 HA LEU 41 7.569 7.083 4.538 297 HB2 LEU 41 HB2 LEU 41 9.333 8.818 6.320 298 HB3 LEU 41 HB1 LEU 41 9.272 7.058 6.332 299 HG LEU 41 HG LEU 41 10.268 8.773 4.036 300 HD11 LEU 41 HD11 LEU 41 12.480 7.895 4.550 301 HD12 LEU 41 HD12 LEU 41 11.834 7.042 5.953 302 HD13 LEU 41 HD13 LEU 41 11.814 8.808 5.903 303 HD21 LEU 41 HD21 LEU 41 10.986 6.665 2.981 304 HD22 LEU 41 HD22 LEU 41 9.235 6.743 3.168 305 HD23 LEU 41 HD23 LEU 41 10.198 5.750 4.270 306 H ASP 42 HN ASP 42 7.041 10.024 6.492 307 HA ASP 42 HA ASP 42 5.676 8.893 8.695 308 HB2 ASP 42 HB2 ASP 42 5.457 11.658 7.425 309 HB3 ASP 42 HB1 ASP 42 4.610 11.223 8.910 310 H ILE 43 HN ILE 43 4.464 10.086 5.550 311 HA ILE 43 HA ILE 43 1.705 9.542 5.935 312 HB ILE 43 HB ILE 43 3.316 9.575 3.342 313 HG12 ILE 43 HG12 ILE 43 1.542 11.742 4.549 314 HG13 ILE 43 HG11 ILE 43 3.302 11.743 4.578 315 HG21 ILE 43 HG21 ILE 43 0.286 9.631 3.640 316 HG22 ILE 43 HG22 ILE 43 1.244 8.305 2.977 317 HG23 ILE 43 HG23 ILE 43 1.174 9.848 2.131 318 HD11 ILE 43 HD11 ILE 43 2.438 13.228 2.876 319 HD12 ILE 43 HD12 ILE 43 1.567 11.896 2.115 320 HD13 ILE 43 HD13 ILE 43 3.336 11.904 2.132 321 H ALA 44 HN ALA 44 4.417 7.490 4.915 322 HA ALA 44 HA ALA 44 2.721 5.454 3.720 323 HB1 ALA 44 HB1 ALA 44 5.738 5.547 4.104 324 HB2 ALA 44 HB2 ALA 44 4.862 6.103 2.678 325 HB3 ALA 44 HB3 ALA 44 4.845 4.393 3.105 326 H PHE 45 HN PHE 45 4.467 6.002 6.714 327 HA PHE 45 HA PHE 45 4.045 3.371 7.836 328 HB2 PHE 45 HB2 PHE 45 4.958 6.028 9.002 329 HB3 PHE 45 HB1 PHE 45 4.507 4.708 10.077 330 HD1 PHE 45 HD1 PHE 45 5.644 2.361 9.452 331 HD2 PHE 45 HD2 PHE 45 7.264 6.183 8.453 332 HE1 PHE 45 HE1 PHE 45 7.889 1.367 9.294 333 HE2 PHE 45 HE2 PHE 45 9.507 5.185 8.284 334 HZ PHE 45 HZ PHE 45 9.817 2.781 8.710 335 H ALA 46 HN ALA 46 2.374 6.498 7.851 336 HA ALA 46 HA ALA 46 0.270 5.843 9.645 337 HB1 ALA 46 HB1 ALA 46 -0.908 7.757 8.618 338 HB2 ALA 46 HB2 ALA 46 0.267 7.781 7.304 339 HB3 ALA 46 HB3 ALA 46 0.778 8.158 8.947 340 H ILE 47 HN ILE 47 0.688 5.375 6.160 341 HA ILE 47 HA ILE 47 -1.820 4.162 5.564 342 HB ILE 47 HB ILE 47 0.895 4.051 4.189 343 HG12 ILE 47 HG12 ILE 47 -1.659 5.479 3.326 344 HG13 ILE 47 HG11 ILE 47 -0.334 6.262 4.173 345 HG21 ILE 47 HG21 ILE 47 -0.313 1.980 3.629 346 HG22 ILE 47 HG22 ILE 47 -0.188 3.040 2.233 347 HG23 ILE 47 HG23 ILE 47 -1.708 2.927 3.111 348 HD11 ILE 47 HD11 ILE 47 -0.300 6.738 1.786 349 HD12 ILE 47 HD12 ILE 47 -0.163 5.020 1.423 350 HD13 ILE 47 HD13 ILE 47 1.141 5.848 2.274 351 H ASP 48 HN ASP 48 1.402 2.867 6.246 352 HA ASP 48 HA ASP 48 1.132 0.164 5.945 353 HB2 ASP 48 HB2 ASP 48 3.210 1.553 6.470 354 HB3 ASP 48 HB1 ASP 48 2.701 1.580 8.148 355 H LYS 49 HN LYS 49 0.607 2.011 8.914 356 HA LYS 49 HA LYS 49 -0.323 -0.108 10.563 357 HB2 LYS 49 HB2 LYS 49 -0.574 2.913 10.821 358 HB3 LYS 49 HB1 LYS 49 -0.957 1.777 12.110 359 HG2 LYS 49 HG2 LYS 49 1.313 1.152 12.401 360 HG3 LYS 49 HG1 LYS 49 1.789 1.827 10.843 361 HD2 LYS 49 HD2 LYS 49 2.600 3.236 12.688 362 HD3 LYS 49 HD1 LYS 49 1.436 4.116 11.697 363 HE2 LYS 49 HE2 LYS 49 1.027 4.573 14.056 364 HE3 LYS 49 HE1 LYS 49 -0.319 3.637 13.408 365 HZ1 LYS 49 HZ1 LYS 49 0.411 2.859 15.590 366 HZ2 LYS 49 HZ2 LYS 49 1.942 2.516 14.969 367 HZ3 LYS 49 HZ3 LYS 49 0.597 1.664 14.411 368 H ALA 50 HN ALA 50 -2.059 2.500 8.780 369 HA ALA 50 HA ALA 50 -4.626 2.066 9.827 370 HB1 ALA 50 HB1 ALA 50 -3.955 4.123 8.638 371 HB2 ALA 50 HB2 ALA 50 -5.444 3.445 7.973 372 HB3 ALA 50 HB3 ALA 50 -3.910 3.228 7.118 373 H PHE 51 HN PHE 51 -3.201 0.804 6.807 374 HA PHE 51 HA PHE 51 -5.514 -0.803 6.116 375 HB2 PHE 51 HB2 PHE 51 -2.738 -0.560 4.913 376 HB3 PHE 51 HB1 PHE 51 -3.969 -1.631 4.262 377 HD1 PHE 51 HD2 PHE 51 -3.211 1.968 4.930 378 HD2 PHE 51 HD1 PHE 51 -5.602 -0.828 2.751 379 HE1 PHE 51 HE2 PHE 51 -4.011 3.772 3.473 380 HE2 PHE 51 HE1 PHE 51 -6.384 0.986 1.305 381 HZ PHE 51 HZ PHE 51 -5.587 3.278 1.655 382 H GLY 52 HN GLY 52 -2.965 -1.266 8.291 383 HA2 GLY 52 HA2 GLY 52 -2.132 -3.053 9.455 384 HA3 GLY 52 HA1 GLY 52 -3.579 -3.924 8.965 385 H ILE 53 HN ILE 53 -1.061 -2.609 6.896 386 HA ILE 53 HA ILE 53 -0.091 -5.302 6.141 387 HB ILE 53 HB ILE 53 0.316 -4.281 3.780 388 HG12 ILE 53 HG12 ILE 53 -1.544 -2.480 3.209 389 HG13 ILE 53 HG11 ILE 53 -1.559 -2.175 4.929 390 HG21 ILE 53 HG21 ILE 53 -2.542 -4.802 4.671 391 HG22 ILE 53 HG22 ILE 53 -1.352 -6.016 4.193 392 HG23 ILE 53 HG23 ILE 53 -1.956 -4.861 3.005 393 HD11 ILE 53 HD11 ILE 53 0.823 -1.844 3.141 394 HD12 ILE 53 HD12 ILE 53 0.726 -1.452 4.859 395 HD13 ILE 53 HD13 ILE 53 -0.253 -0.565 3.696 396 H LYS 54 HN LYS 54 2.155 -4.982 4.924 397 HA LYS 54 HA LYS 54 3.707 -2.850 6.301 398 HB2 LYS 54 HB2 LYS 54 4.763 -5.635 5.618 399 HB3 LYS 54 HB1 LYS 54 5.639 -4.356 6.453 400 HG2 LYS 54 HG2 LYS 54 3.245 -5.895 7.506 401 HG3 LYS 54 HG1 LYS 54 4.918 -6.086 8.016 402 HD2 LYS 54 HD2 LYS 54 3.288 -3.542 8.401 403 HD3 LYS 54 HD1 LYS 54 3.450 -4.800 9.619 404 HE2 LYS 54 HE2 LYS 54 4.998 -3.127 10.248 405 HE3 LYS 54 HE1 LYS 54 5.981 -4.382 9.501 406 HZ1 LYS 54 HZ1 LYS 54 6.120 -3.078 7.513 407 HZ2 LYS 54 HZ2 LYS 54 6.588 -2.118 8.823 408 HZ3 LYS 54 HZ3 LYS 54 5.058 -1.922 8.129 409 H LEU 55 HN LEU 55 4.009 -1.350 4.689 410 HA LEU 55 HA LEU 55 4.639 -2.043 1.973 411 HB2 LEU 55 HB2 LEU 55 4.913 0.597 3.475 412 HB3 LEU 55 HB1 LEU 55 5.063 0.396 1.738 413 HG LEU 55 HG LEU 55 2.505 0.020 3.353 414 HD11 LEU 55 HD11 LEU 55 3.292 2.222 1.401 415 HD12 LEU 55 HD12 LEU 55 3.141 2.384 3.156 416 HD13 LEU 55 HD13 LEU 55 1.715 2.040 2.176 417 HD21 LEU 55 HD21 LEU 55 2.575 -1.522 1.435 418 HD22 LEU 55 HD22 LEU 55 2.906 -0.179 0.344 419 HD23 LEU 55 HD23 LEU 55 1.363 -0.270 1.195 420 HA PRO 56 HA PRO 56 9.059 -2.519 3.144 421 HB2 PRO 56 HB2 PRO 56 9.993 -3.481 0.779 422 HB3 PRO 56 HB1 PRO 56 9.032 -4.481 1.882 423 HG2 PRO 56 HG2 PRO 56 8.153 -3.010 -0.607 424 HG3 PRO 56 HG1 PRO 56 7.741 -4.659 -0.084 425 HD2 PRO 56 HD2 PRO 56 6.069 -2.501 0.303 426 HD3 PRO 56 HD1 PRO 56 6.081 -3.922 1.368 427 H LEU 57 HN LEU 57 8.807 -0.058 3.255 428 HA LEU 57 HA LEU 57 9.187 1.638 1.030 429 HB2 LEU 57 HB2 LEU 57 8.900 1.971 3.940 430 HB3 LEU 57 HB1 LEU 57 10.082 3.099 3.322 431 HG LEU 57 HG LEU 57 7.865 4.144 3.395 432 HD11 LEU 57 HD11 LEU 57 9.413 4.874 1.639 433 HD12 LEU 57 HD12 LEU 57 7.740 5.007 1.114 434 HD13 LEU 57 HD13 LEU 57 8.743 3.679 0.526 435 HD21 LEU 57 HD21 LEU 57 6.016 3.379 1.990 436 HD22 LEU 57 HD22 LEU 57 6.485 2.145 3.154 437 HD23 LEU 57 HD23 LEU 57 6.968 1.984 1.464 438 H GLU 58 HN GLU 58 11.476 0.335 3.386 439 HA GLU 58 HA GLU 58 13.734 1.875 2.694 440 HB2 GLU 58 HB2 GLU 58 13.354 0.392 4.757 441 HB3 GLU 58 HB1 GLU 58 13.754 -0.990 3.755 442 HG2 GLU 58 HG2 GLU 58 15.606 1.343 4.253 443 HG3 GLU 58 HG1 GLU 58 15.597 -0.115 5.238 444 H LYS 59 HN LYS 59 12.521 -1.227 1.507 445 HA LYS 59 HA LYS 59 14.611 -1.754 -0.355 446 HB2 LYS 59 HB2 LYS 59 13.015 -3.488 0.524 447 HB3 LYS 59 HB1 LYS 59 11.733 -2.748 -0.430 448 HG2 LYS 59 HG2 LYS 59 13.090 -3.245 -2.515 449 HG3 LYS 59 HG1 LYS 59 14.234 -4.118 -1.488 450 HD2 LYS 59 HD2 LYS 59 12.705 -5.714 -2.508 451 HD3 LYS 59 HD1 LYS 59 12.381 -5.646 -0.773 452 HE2 LYS 59 HE2 LYS 59 10.282 -5.685 -2.048 453 HE3 LYS 59 HE1 LYS 59 10.450 -4.146 -1.203 454 HZ1 LYS 59 HZ1 LYS 59 9.701 -3.768 -3.428 455 HZ2 LYS 59 HZ2 LYS 59 10.982 -4.654 -4.078 456 HZ3 LYS 59 HZ3 LYS 59 11.275 -3.187 -3.294 457 H TRP 60 HN TRP 60 11.386 -0.243 -0.673 458 HA TRP 60 HA TRP 60 11.333 0.244 -3.437 459 HB2 TRP 60 HB2 TRP 60 10.089 1.770 -1.102 460 HB3 TRP 60 HB1 TRP 60 9.765 2.190 -2.783 461 HD1 TRP 60 HD1 TRP 60 9.850 -1.474 -2.777 462 HE1 TRP 60 HE1 TRP 60 7.479 -2.442 -2.591 463 HE3 TRP 60 HE3 TRP 60 7.349 2.730 -1.261 464 HZ2 TRP 60 HZ2 TRP 60 4.900 -1.574 -1.911 465 HZ3 TRP 60 HZ3 TRP 60 4.920 2.576 -0.871 466 HH2 TRP 60 HH2 TRP 60 3.722 0.464 -1.189 467 H THR 61 HN THR 61 12.729 2.050 -0.791 468 HA THR 61 HA THR 61 13.422 4.427 -2.190 469 HB THR 61 HB THR 61 14.367 3.318 0.489 470 HG1 THR 61 HG1 THR 61 12.054 4.066 -0.035 471 HG21 THR 61 HG21 THR 61 15.090 5.618 1.006 472 HG22 THR 61 HG22 THR 61 14.714 6.111 -0.646 473 HG23 THR 61 HG23 THR 61 16.011 4.948 -0.348 474 H GLN 62 HN GLN 62 15.216 1.414 -1.355 475 HA GLN 62 HA GLN 62 17.782 2.489 -2.084 476 HB2 GLN 62 HB2 GLN 62 18.684 0.295 -1.633 477 HB3 GLN 62 HB1 GLN 62 17.484 0.626 -0.387 478 HG2 GLN 62 HG2 GLN 62 15.883 -0.828 -1.574 479 HG3 GLN 62 HG1 GLN 62 17.096 -1.144 -2.812 480 HE21 GLN 62 HE21 GLN 62 16.193 -1.710 0.534 481 HE22 GLN 62 HE22 GLN 62 17.253 -3.053 0.790 482 H GLU 63 HN GLU 63 15.203 0.665 -3.639 483 HA GLU 63 HA GLU 63 16.484 0.010 -6.087 484 HB2 GLU 63 HB2 GLU 63 13.544 0.519 -5.444 485 HB3 GLU 63 HB1 GLU 63 14.113 -0.089 -6.999 486 HG2 GLU 63 HG2 GLU 63 14.965 -2.109 -5.958 487 HG3 GLU 63 HG1 GLU 63 14.533 -1.513 -4.356 488 H VAL 64 HN VAL 64 14.526 2.828 -5.105 489 HA VAL 64 HA VAL 64 14.486 4.235 -7.530 490 HB VAL 64 HB VAL 64 14.307 5.202 -4.646 491 HG11 VAL 64 HG11 VAL 64 13.495 7.402 -5.505 492 HG12 VAL 64 HG12 VAL 64 13.944 6.910 -7.139 493 HG13 VAL 64 HG13 VAL 64 15.191 7.104 -5.906 494 HG21 VAL 64 HG21 VAL 64 12.400 3.842 -5.474 495 HG22 VAL 64 HG22 VAL 64 12.176 4.968 -6.816 496 HG23 VAL 64 HG23 VAL 64 11.908 5.507 -5.155 497 H ASN 65 HN ASN 65 16.689 4.804 -4.745 498 HA ASN 65 HA ASN 65 18.313 6.696 -6.070 499 HB2 ASN 65 HB2 ASN 65 18.738 5.106 -3.515 500 HB3 ASN 65 HB1 ASN 65 19.881 6.321 -4.078 501 HD21 ASN 65 HD21 ASN 65 16.685 5.807 -2.730 502 HD22 ASN 65 HD22 ASN 65 16.379 7.455 -2.325 503 H ASP 66 HN ASP 66 18.505 3.162 -6.067 504 HA ASP 66 HA ASP 66 21.230 3.165 -7.157 505 HB2 ASP 66 HB2 ASP 66 20.394 1.442 -5.469 506 HB3 ASP 66 HB1 ASP 66 19.371 0.780 -6.734 507 H GLY 67 HN GLY 67 18.235 3.751 -8.480 508 HA2 GLY 67 HA2 GLY 67 17.443 3.807 -10.631 509 HA3 GLY 67 HA1 GLY 67 19.007 3.231 -11.178 510 H LYS 68 HN LYS 68 17.746 1.042 -8.924 511 HA LYS 68 HA LYS 68 17.064 -0.998 -10.798 512 HB2 LYS 68 HB2 LYS 68 16.469 -0.725 -7.827 513 HB3 LYS 68 HB1 LYS 68 16.033 -2.157 -8.756 514 HG2 LYS 68 HG2 LYS 68 18.454 -2.470 -9.299 515 HG3 LYS 68 HG1 LYS 68 18.831 -1.109 -8.232 516 HD2 LYS 68 HD2 LYS 68 17.886 -2.315 -6.311 517 HD3 LYS 68 HD1 LYS 68 17.380 -3.645 -7.358 518 HE2 LYS 68 HE2 LYS 68 19.768 -4.109 -7.877 519 HE3 LYS 68 HE1 LYS 68 20.243 -2.812 -6.775 520 HZ1 LYS 68 HZ1 LYS 68 19.172 -4.011 -4.977 521 HZ2 LYS 68 HZ2 LYS 68 20.368 -4.953 -5.714 522 HZ3 LYS 68 HZ3 LYS 68 18.739 -5.255 -6.035 523 H ALA 69 HN ALA 69 15.228 1.452 -9.150 524 HA ALA 69 HA ALA 69 12.893 1.007 -10.884 525 HB1 ALA 69 HB1 ALA 69 12.341 -0.064 -8.717 526 HB2 ALA 69 HB2 ALA 69 11.341 1.361 -8.996 527 HB3 ALA 69 HB3 ALA 69 12.702 1.440 -7.870 528 H THR 70 HN THR 70 11.536 2.950 -10.990 529 HA THR 70 HA THR 70 13.075 5.430 -10.847 530 HB THR 70 HB THR 70 11.081 6.390 -12.077 531 HG1 THR 70 HG1 THR 70 9.562 4.760 -12.871 532 HG21 THR 70 HG21 THR 70 12.286 3.884 -13.335 533 HG22 THR 70 HG22 THR 70 12.989 5.503 -13.380 534 HG23 THR 70 HG23 THR 70 11.468 5.179 -14.211 535 H THR 71 HN THR 71 11.957 7.395 -10.010 536 HA THR 71 HA THR 71 11.173 7.165 -7.315 537 HB THR 71 HB THR 71 10.561 9.617 -7.510 538 HG1 THR 71 HG1 THR 71 11.236 10.503 -9.708 539 HG21 THR 71 HG21 THR 71 13.236 8.882 -8.770 540 HG22 THR 71 HG22 THR 71 12.910 9.038 -7.043 541 HG23 THR 71 HG23 THR 71 12.830 10.458 -8.086 542 H GLU 72 HN GLU 72 9.277 8.269 -10.112 543 HA GLU 72 HA GLU 72 6.782 8.381 -9.045 544 HB2 GLU 72 HB2 GLU 72 5.969 8.320 -11.415 545 HB3 GLU 72 HB1 GLU 72 7.307 9.417 -11.146 546 HG2 GLU 72 HG2 GLU 72 7.899 8.451 -13.176 547 HG3 GLU 72 HG1 GLU 72 8.798 7.458 -12.032 548 H GLN 73 HN GLN 73 8.415 5.479 -10.033 549 HA GLN 73 HA GLN 73 6.267 3.744 -10.482 550 HB2 GLN 73 HB2 GLN 73 8.729 3.271 -10.886 551 HB3 GLN 73 HB1 GLN 73 8.860 2.881 -9.174 552 HG2 GLN 73 HG2 GLN 73 7.150 1.091 -9.483 553 HG3 GLN 73 HG1 GLN 73 7.101 1.466 -11.206 554 HE21 GLN 73 HE21 GLN 73 8.868 -0.095 -8.675 555 HE22 GLN 73 HE22 GLN 73 10.053 -0.843 -9.682 556 H TYR 74 HN TYR 74 7.555 4.907 -7.433 557 HA TYR 74 HA TYR 74 5.553 3.314 -5.930 558 HB2 TYR 74 HB2 TYR 74 8.263 4.314 -4.969 559 HB3 TYR 74 HB1 TYR 74 7.090 3.452 -3.972 560 HD1 TYR 74 HD2 TYR 74 6.203 1.173 -5.296 561 HD2 TYR 74 HD1 TYR 74 10.082 2.950 -5.637 562 HE1 TYR 74 HE2 TYR 74 7.128 -0.983 -6.003 563 HE2 TYR 74 HE1 TYR 74 11.002 0.787 -6.354 564 HH TYR 74 HH TYR 74 10.452 -1.605 -6.156 565 H PHE 75 HN PHE 75 6.717 6.564 -6.613 566 HA PHE 75 HA PHE 75 5.464 7.647 -4.186 567 HB2 PHE 75 HB2 PHE 75 7.172 9.041 -6.282 568 HB3 PHE 75 HB1 PHE 75 6.586 9.772 -4.792 569 HD1 PHE 75 HD1 PHE 75 7.165 7.279 -2.985 570 HD2 PHE 75 HD2 PHE 75 9.524 9.395 -5.859 571 HE1 PHE 75 HE1 PHE 75 9.218 6.587 -1.820 572 HE2 PHE 75 HE2 PHE 75 11.569 8.693 -4.692 573 HZ PHE 75 HZ PHE 75 11.424 7.283 -2.672 574 H VAL 76 HN VAL 76 4.396 7.012 -7.332 575 HA VAL 76 HA VAL 76 2.684 9.426 -7.493 576 HB VAL 76 HB VAL 76 3.035 7.142 -9.499 577 HG11 VAL 76 HG11 VAL 76 1.417 8.319 -10.959 578 HG12 VAL 76 HG12 VAL 76 1.104 9.501 -9.686 579 HG13 VAL 76 HG13 VAL 76 0.646 7.811 -9.454 580 HG21 VAL 76 HG21 VAL 76 3.867 8.908 -11.001 581 HG22 VAL 76 HG22 VAL 76 4.823 8.852 -9.522 582 HG23 VAL 76 HG23 VAL 76 3.618 10.120 -9.740 583 H LEU 77 HN LEU 77 0.577 9.288 -6.957 584 HA LEU 77 HA LEU 77 0.029 7.441 -4.922 585 HB2 LEU 77 HB2 LEU 77 -1.873 9.420 -6.197 586 HB3 LEU 77 HB1 LEU 77 -2.041 8.671 -4.611 587 HG LEU 77 HG LEU 77 0.107 10.664 -5.444 588 HD11 LEU 77 HD11 LEU 77 -2.181 10.935 -3.489 589 HD12 LEU 77 HD12 LEU 77 -2.062 11.681 -5.087 590 HD13 LEU 77 HD13 LEU 77 -0.935 12.141 -3.817 591 HD21 LEU 77 HD21 LEU 77 1.115 9.050 -3.915 592 HD22 LEU 77 HD22 LEU 77 -0.219 9.246 -2.772 593 HD23 LEU 77 HD23 LEU 77 0.884 10.592 -3.086 594 H LYS 78 HN LYS 78 -0.976 7.317 -8.323 595 HA LYS 78 HA LYS 78 -3.014 5.311 -7.836 596 HB2 LYS 78 HB2 LYS 78 -3.075 4.963 -10.273 597 HB3 LYS 78 HB1 LYS 78 -3.214 6.662 -9.855 598 HG2 LYS 78 HG2 LYS 78 -0.898 7.053 -10.523 599 HG3 LYS 78 HG1 LYS 78 -0.679 5.336 -10.880 600 HD2 LYS 78 HD2 LYS 78 -2.388 5.487 -12.665 601 HD3 LYS 78 HD1 LYS 78 -2.653 7.191 -12.286 602 HE2 LYS 78 HE2 LYS 78 -1.227 6.930 -14.275 603 HE3 LYS 78 HE1 LYS 78 -0.353 7.715 -12.964 604 HZ1 LYS 78 HZ1 LYS 78 -0.110 4.858 -13.765 605 HZ2 LYS 78 HZ2 LYS 78 0.698 5.578 -12.465 606 HZ3 LYS 78 HZ3 LYS 78 1.028 6.081 -14.040 607 H ASN 79 HN ASN 79 0.406 5.335 -8.692 608 HA ASN 79 HA ASN 79 0.783 2.509 -9.013 609 HB2 ASN 79 HB2 ASN 79 2.796 4.705 -8.326 610 HB3 ASN 79 HB1 ASN 79 3.230 3.054 -8.752 611 HD21 ASN 79 HD21 ASN 79 4.458 3.788 -10.488 612 HD22 ASN 79 HD22 ASN 79 3.757 4.394 -11.940 613 H LEU 80 HN LEU 80 1.117 4.782 -6.358 614 HA LEU 80 HA LEU 80 2.363 3.143 -4.424 615 HB2 LEU 80 HB2 LEU 80 2.491 5.578 -4.258 616 HB3 LEU 80 HB1 LEU 80 0.741 5.714 -4.202 617 HG LEU 80 HG LEU 80 0.773 4.532 -1.962 618 HD11 LEU 80 HD11 LEU 80 3.784 4.870 -2.127 619 HD12 LEU 80 HD12 LEU 80 2.898 3.341 -2.138 620 HD13 LEU 80 HD13 LEU 80 2.873 4.361 -0.703 621 HD21 LEU 80 HD21 LEU 80 2.319 7.136 -2.079 622 HD22 LEU 80 HD22 LEU 80 1.507 6.473 -0.659 623 HD23 LEU 80 HD23 LEU 80 0.561 6.958 -2.064 624 H ALA 81 HN ALA 81 -1.009 4.266 -4.862 625 HA ALA 81 HA ALA 81 -2.037 2.687 -2.701 626 HB1 ALA 81 HB1 ALA 81 -3.104 4.807 -3.337 627 HB2 ALA 81 HB2 ALA 81 -4.254 3.470 -3.415 628 HB3 ALA 81 HB3 ALA 81 -3.555 4.130 -4.903 629 H ALA 82 HN ALA 82 -1.407 2.064 -6.105 630 HA ALA 82 HA ALA 82 -2.981 -0.341 -6.279 631 HB1 ALA 82 HB1 ALA 82 -1.622 -0.869 -8.262 632 HB2 ALA 82 HB2 ALA 82 -0.505 0.449 -7.864 633 HB3 ALA 82 HB3 ALA 82 -2.180 0.806 -8.297 634 H ARG 83 HN ARG 83 0.345 0.413 -5.266 635 HA ARG 83 HA ARG 83 1.245 -2.273 -4.883 636 HB2 ARG 83 HB2 ARG 83 2.215 0.363 -3.697 637 HB3 ARG 83 HB1 ARG 83 3.040 -1.167 -3.433 638 HG2 ARG 83 HG2 ARG 83 2.574 -0.137 -6.237 639 HG3 ARG 83 HG1 ARG 83 3.917 0.462 -5.268 640 HD2 ARG 83 HD2 ARG 83 4.611 -1.354 -6.790 641 HD3 ARG 83 HD1 ARG 83 4.853 -1.790 -5.102 642 HE ARG 83 HE ARG 83 2.830 -3.170 -5.268 643 HH11 ARG 83 HH11 ARG 83 4.383 -2.330 -8.301 644 HH12 ARG 83 HH12 ARG 83 3.801 -3.745 -9.116 645 HH21 ARG 83 HH21 ARG 83 2.113 -5.029 -6.331 646 HH22 ARG 83 HH22 ARG 83 2.508 -5.268 -8.005 647 H ILE 84 HN ILE 84 -0.304 0.100 -2.775 648 HA ILE 84 HA ILE 84 -0.139 -1.354 -0.319 649 HB ILE 84 HB ILE 84 -2.136 0.805 -1.150 650 HG12 ILE 84 HG12 ILE 84 0.428 1.268 0.435 651 HG13 ILE 84 HG11 ILE 84 0.389 1.395 -1.316 652 HG21 ILE 84 HG21 ILE 84 -1.321 -0.113 1.637 653 HG22 ILE 84 HG22 ILE 84 -2.885 -0.388 0.868 654 HG23 ILE 84 HG23 ILE 84 -2.386 1.252 1.283 655 HD11 ILE 84 HD11 ILE 84 0.232 3.564 -0.196 656 HD12 ILE 84 HD12 ILE 84 -1.276 3.062 0.567 657 HD13 ILE 84 HD13 ILE 84 -1.186 3.224 -1.187 658 H ASP 85 HN ASP 85 -2.689 -0.869 -2.752 659 HA ASP 85 HA ASP 85 -4.731 -2.511 -1.789 660 HB2 ASP 85 HB2 ASP 85 -4.967 -0.895 -3.665 661 HB3 ASP 85 HB1 ASP 85 -3.960 -1.909 -4.687 662 H GLU 86 HN GLU 86 -1.991 -3.287 -3.854 663 HA GLU 86 HA GLU 86 -2.495 -5.963 -4.444 664 HB2 GLU 86 HB2 GLU 86 -0.903 -4.404 -5.582 665 HB3 GLU 86 HB1 GLU 86 0.173 -4.500 -4.192 666 HG2 GLU 86 HG2 GLU 86 -0.625 -6.990 -5.657 667 HG3 GLU 86 HG1 GLU 86 0.577 -5.922 -6.358 668 H LEU 87 HN LEU 87 -0.796 -4.466 -1.704 669 HA LEU 87 HA LEU 87 -0.033 -6.992 -0.515 670 HB2 LEU 87 HB2 LEU 87 0.088 -4.155 0.576 671 HB3 LEU 87 HB1 LEU 87 0.731 -5.566 1.410 672 HG LEU 87 HG LEU 87 1.715 -4.469 -1.260 673 HD11 LEU 87 HD11 LEU 87 3.068 -4.484 1.451 674 HD12 LEU 87 HD12 LEU 87 2.411 -3.084 0.604 675 HD13 LEU 87 HD13 LEU 87 3.789 -3.942 -0.068 676 HD21 LEU 87 HD21 LEU 87 2.734 -6.879 0.285 677 HD22 LEU 87 HD22 LEU 87 3.494 -6.180 -1.147 678 HD23 LEU 87 HD23 LEU 87 1.895 -6.908 -1.270 679 H VAL 88 HN VAL 88 -2.818 -4.874 -0.300 680 HA VAL 88 HA VAL 88 -3.947 -6.136 2.077 681 HB VAL 88 HB VAL 88 -5.219 -4.245 0.026 682 HG11 VAL 88 HG11 VAL 88 -7.072 -3.950 1.663 683 HG12 VAL 88 HG12 VAL 88 -6.353 -5.187 2.694 684 HG13 VAL 88 HG13 VAL 88 -6.971 -5.622 1.101 685 HG21 VAL 88 HG21 VAL 88 -3.424 -3.178 1.367 686 HG22 VAL 88 HG22 VAL 88 -4.229 -3.682 2.856 687 HG23 VAL 88 HG23 VAL 88 -5.004 -2.512 1.785 688 H ALA 89 HN ALA 89 -3.976 -6.559 -1.387 689 HA ALA 89 HA ALA 89 -5.975 -8.594 -1.546 690 HB1 ALA 89 HB1 ALA 89 -5.077 -9.013 -3.802 691 HB2 ALA 89 HB2 ALA 89 -3.683 -7.986 -3.450 692 HB3 ALA 89 HB3 ALA 89 -5.300 -7.285 -3.522 693 H ALA 90 HN ALA 90 -2.434 -8.569 -1.151 694 HA ALA 90 HA ALA 90 -2.038 -11.386 -0.962 695 HB1 ALA 90 HB1 ALA 90 -0.391 -9.110 0.208 696 HB2 ALA 90 HB2 ALA 90 -0.198 -9.805 -1.403 697 HB3 ALA 90 HB3 ALA 90 0.144 -10.785 0.023 698 H LYS 91 HN LYS 91 -3.174 -8.953 1.239 699 HA LYS 91 HA LYS 91 -2.967 -10.556 3.667 700 HB2 LYS 91 HB2 LYS 91 -2.700 -8.059 3.704 701 HB3 LYS 91 HB1 LYS 91 -4.349 -7.880 3.126 702 HG2 LYS 91 HG2 LYS 91 -5.137 -8.996 5.244 703 HG3 LYS 91 HG1 LYS 91 -3.466 -8.974 5.813 704 HD2 LYS 91 HD2 LYS 91 -3.428 -6.533 5.765 705 HD3 LYS 91 HD1 LYS 91 -5.033 -6.483 5.029 706 HE2 LYS 91 HE2 LYS 91 -5.997 -7.475 7.079 707 HE3 LYS 91 HE1 LYS 91 -4.392 -7.528 7.808 708 HZ1 LYS 91 HZ1 LYS 91 -4.305 -5.107 7.621 709 HZ2 LYS 91 HZ2 LYS 91 -5.585 -5.630 8.586 710 HZ3 LYS 91 HZ3 LYS 91 -5.880 -5.088 7.013 711 H GLY 92 HN GLY 92 -5.180 -9.927 1.061 712 HA2 GLY 92 HA2 GLY 92 -7.596 -10.984 2.258 713 HA3 GLY 92 HA1 GLY 92 -7.332 -10.613 0.553 714 H ALA 93 HN ALA 93 -4.786 -12.253 0.685 715 HA ALA 93 HA ALA 93 -5.862 -14.905 0.141 716 HB1 ALA 93 HB1 ALA 93 -4.112 -13.940 -1.296 717 HB2 ALA 93 HB2 ALA 93 -3.549 -15.429 -0.539 718 HB3 ALA 93 HB3 ALA 93 -3.005 -13.868 0.077 719 H LEU 94 HN LEU 94 -5.573 -13.559 2.955 720 HA LEU 94 HA LEU 94 -4.364 -15.856 4.398 721 HB2 LEU 94 HB2 LEU 94 -4.966 -13.036 5.409 722 HB3 LEU 94 HB1 LEU 94 -4.245 -14.335 6.349 723 HG LEU 94 HG LEU 94 -2.951 -12.952 3.960 724 HD11 LEU 94 HD11 LEU 94 -2.296 -12.747 6.917 725 HD12 LEU 94 HD12 LEU 94 -3.034 -11.494 5.912 726 HD13 LEU 94 HD13 LEU 94 -1.381 -12.014 5.596 727 HD21 LEU 94 HD21 LEU 94 -0.918 -14.241 4.556 728 HD22 LEU 94 HD22 LEU 94 -2.245 -15.282 4.050 729 HD23 LEU 94 HD23 LEU 94 -1.848 -15.138 5.764 730 H GLU 95 HN GLU 95 -5.720 -16.966 5.841 731 HA GLU 95 HA GLU 95 -8.506 -16.981 5.361 732 HB2 GLU 95 HB2 GLU 95 -6.983 -18.214 7.696 733 HB3 GLU 95 HB1 GLU 95 -8.638 -18.609 7.241 734 HG2 GLU 95 HG2 GLU 95 -7.804 -19.480 5.067 735 HG3 GLU 95 HG1 GLU 95 -6.153 -19.123 5.573 736 H HIS 96 HN HIS 96 -9.394 -14.967 5.747 737 HA HIS 96 HA HIS 96 -9.587 -14.051 8.570 738 HB2 HIS 96 HB2 HIS 96 -9.742 -12.384 6.009 739 HB3 HIS 96 HB1 HIS 96 -10.062 -11.762 7.627 740 HD1 HIS 96 HD1 HIS 96 -7.787 -10.694 5.727 741 HD2 HIS 96 HD2 HIS 96 -7.260 -13.382 8.856 742 HE1 HIS 96 HE1 HIS 96 -5.395 -10.442 6.443 743 HE2 HIS 96 HE2 HIS 96 -5.167 -11.926 8.444 744 H HIS 97 HN HIS 97 -11.299 -14.343 5.480 745 HA HIS 97 HA HIS 97 -13.417 -14.537 4.818 746 HB2 HIS 97 HB2 HIS 97 -13.861 -15.406 7.699 747 HB3 HIS 97 HB1 HIS 97 -15.209 -15.269 6.574 748 HD1 HIS 97 HD1 HIS 97 -12.725 -17.627 7.718 749 HD2 HIS 97 HD2 HIS 97 -14.836 -16.975 4.204 750 HE1 HIS 97 HE1 HIS 97 -12.533 -19.770 6.414 751 HE2 HIS 97 HE2 HIS 97 -13.955 -19.391 4.367 752 H HIS 98 HN HIS 98 -14.529 -12.826 4.140 753 HA HIS 98 HA HIS 98 -14.743 -10.366 5.548 754 HB2 HIS 98 HB2 HIS 98 -16.347 -9.708 3.679 755 HB3 HIS 98 HB1 HIS 98 -14.753 -10.222 3.160 756 HD1 HIS 98 HD1 HIS 98 -14.594 -12.426 1.797 757 HD2 HIS 98 HD2 HIS 98 -18.484 -11.327 2.768 758 HE1 HIS 98 HE1 HIS 98 -16.074 -13.833 0.341 759 HE2 HIS 98 HE2 HIS 98 -18.415 -13.201 0.987 760 H HIS 99 HN HIS 99 -15.674 -10.551 7.476 761 HA HIS 99 HA HIS 99 -17.629 -12.401 8.223 762 HB2 HIS 99 HB2 HIS 99 -16.657 -9.869 9.601 763 HB3 HIS 99 HB1 HIS 99 -17.789 -10.989 10.355 764 HD1 HIS 99 HD1 HIS 99 -14.183 -10.615 9.433 765 HD2 HIS 99 HD2 HIS 99 -16.680 -13.433 11.188 766 HE1 HIS 99 HE1 HIS 99 -12.654 -12.291 10.518 767 HE2 HIS 99 HE2 HIS 99 -14.189 -13.907 11.678 768 H HIS 100 HN HIS 100 -19.767 -12.153 8.957 769 HA HIS 100 HA HIS 100 -21.536 -10.999 7.165 770 HB2 HIS 100 HB2 HIS 100 -22.171 -12.872 8.590 771 HB3 HIS 100 HB1 HIS 100 -22.006 -11.895 10.043 772 HD1 HIS 100 HD1 HIS 100 -24.159 -10.995 10.909 773 HD2 HIS 100 HD2 HIS 100 -24.362 -11.758 6.826 774 HE1 HIS 100 HE1 HIS 100 -26.518 -10.469 10.244 775 HE2 HIS 100 HE2 HIS 100 -26.543 -10.720 7.740 776 H HIS 101 HN HIS 101 -22.481 -9.066 6.949 777 HA HIS 101 HA HIS 101 -21.738 -6.844 8.637 778 HB2 HIS 101 HB2 HIS 101 -21.888 -6.641 6.137 779 HB3 HIS 101 HB1 HIS 101 -23.625 -6.908 6.236 780 HD1 HIS 101 HD1 HIS 101 -20.982 -4.358 6.962 781 HD2 HIS 101 HD2 HIS 101 -25.113 -4.675 7.075 782 HE1 HIS 101 HE1 HIS 101 -21.821 -2.027 7.337 783 HE2 HIS 101 HE2 HIS 101 -24.322 -2.218 7.152 784 H282 PNS 102 H282 PNS 102 14.865 9.709 3.927 785 H281 PNS 102 H281 PNS 102 14.655 8.084 3.299 786 H303 PNS 102 H303 PNS 102 15.718 8.258 0.444 787 H302 PNS 102 H302 PNS 102 17.429 8.126 0.846 788 H301 PNS 102 H301 PNS 102 16.249 7.137 1.706 789 H313 PNS 102 H313 PNS 102 17.279 9.771 4.163 790 H312 PNS 102 H312 PNS 102 17.237 8.032 3.867 791 H311 PNS 102 H311 PNS 102 18.345 9.062 2.952 792 H32 PNS 102 H32 PNS 102 15.513 10.880 1.088 793 H33 PNS 102 H33 PNS 102 17.141 12.360 2.270 794 H36 PNS 102 H36 PNS 102 18.932 10.613 2.176 795 H372 PNS 102 H372 PNS 102 20.103 9.796 -0.242 796 H371 PNS 102 H371 PNS 102 20.096 11.564 -0.205 797 H382 PNS 102 H382 PNS 102 21.249 9.815 1.984 798 H381 PNS 102 H381 PNS 102 22.202 10.516 0.676 799 H41 PNS 102 H41 PNS 102 21.763 12.978 0.403 800 H422 PNS 102 H422 PNS 102 21.025 14.661 2.519 801 H421 PNS 102 H421 PNS 102 22.757 14.337 2.668 802 H431 PNS 102 H431 PNS 102 21.369 15.508 0.241 803 H432 PNS 102 H432 PNS 102 23.097 15.157 0.368 804 H44 PNS 102 H44 PNS 102 21.464 17.847 1.310 Start of MODEL 20 1 H1 MET 1 HT1 MET 1 -18.294 3.691 -3.003 2 H2 MET 1 HT2 MET 1 -17.253 3.248 -1.749 3 H3 MET 1 HT3 MET 1 -16.682 3.293 -3.338 4 HA MET 1 HA MET 1 -17.100 5.685 -3.414 5 HB2 MET 1 HB2 MET 1 -17.596 5.357 -0.426 6 HB3 MET 1 HB1 MET 1 -17.501 6.891 -1.284 7 HG2 MET 1 HG2 MET 1 -19.801 6.430 -0.866 8 HG3 MET 1 HG1 MET 1 -19.531 6.193 -2.593 9 HE1 MET 1 HE1 MET 1 -21.938 4.849 -2.651 10 HE2 MET 1 HE2 MET 1 -22.094 5.109 -0.911 11 HE3 MET 1 HE3 MET 1 -22.278 3.488 -1.584 12 H THR 2 HN THR 2 -15.550 3.628 -1.009 13 HA THR 2 HA THR 2 -13.187 5.379 -0.855 14 HB THR 2 HB THR 2 -12.558 3.938 1.121 15 HG1 THR 2 HG1 THR 2 -13.726 2.050 0.638 16 HG21 THR 2 HG21 THR 2 -13.768 6.057 1.503 17 HG22 THR 2 HG22 THR 2 -14.252 4.829 2.677 18 HG23 THR 2 HG23 THR 2 -15.308 5.217 1.316 19 H SER 3 HN SER 3 -12.059 4.842 -2.727 20 HA SER 3 HA SER 3 -11.099 2.134 -3.184 21 HB2 SER 3 HB2 SER 3 -10.098 4.794 -4.315 22 HB3 SER 3 HB1 SER 3 -9.679 3.184 -4.912 23 HG SER 3 HG SER 3 -11.468 4.486 -5.958 24 H THR 4 HN THR 4 -8.622 1.808 -3.177 25 HA THR 4 HA THR 4 -7.480 2.297 -0.636 26 HB THR 4 HB THR 4 -6.033 1.560 -3.223 27 HG1 THR 4 HG1 THR 4 -6.332 -0.533 -1.615 28 HG21 THR 4 HG21 THR 4 -5.171 1.197 -0.318 29 HG22 THR 4 HG22 THR 4 -4.441 2.298 -1.488 30 HG23 THR 4 HG23 THR 4 -4.319 0.555 -1.721 31 H PHE 5 HN PHE 5 -7.185 3.952 -3.768 32 HA PHE 5 HA PHE 5 -5.285 5.908 -3.200 33 HB2 PHE 5 HB2 PHE 5 -5.949 5.821 -5.473 34 HB3 PHE 5 HB1 PHE 5 -7.665 5.840 -5.083 35 HD1 PHE 5 HD1 PHE 5 -4.611 8.047 -4.902 36 HD2 PHE 5 HD2 PHE 5 -8.872 7.879 -5.303 37 HE1 PHE 5 HE1 PHE 5 -4.697 10.483 -5.175 38 HE2 PHE 5 HE2 PHE 5 -8.935 10.325 -5.588 39 HZ PHE 5 HZ PHE 5 -6.846 11.627 -5.515 40 H ASP 6 HN ASP 6 -8.829 6.043 -2.678 41 HA ASP 6 HA ASP 6 -9.006 8.724 -1.850 42 HB2 ASP 6 HB2 ASP 6 -10.820 6.355 -1.256 43 HB3 ASP 6 HB1 ASP 6 -11.219 8.010 -0.788 44 H ARG 7 HN ARG 7 -8.600 5.766 0.026 45 HA ARG 7 HA ARG 7 -8.649 6.956 2.599 46 HB2 ARG 7 HB2 ARG 7 -7.668 4.266 1.576 47 HB3 ARG 7 HB1 ARG 7 -7.489 4.716 3.271 48 HG2 ARG 7 HG2 ARG 7 -10.141 4.663 1.787 49 HG3 ARG 7 HG1 ARG 7 -9.537 3.347 2.807 50 HD2 ARG 7 HD2 ARG 7 -9.604 4.746 4.777 51 HD3 ARG 7 HD1 ARG 7 -9.932 6.190 3.819 52 HE ARG 7 HE ARG 7 -12.116 5.123 3.247 53 HH11 ARG 7 HH11 ARG 7 -10.507 4.153 6.213 54 HH12 ARG 7 HH12 ARG 7 -11.987 3.870 7.072 55 HH21 ARG 7 HH21 ARG 7 -14.073 4.778 4.395 56 HH22 ARG 7 HH22 ARG 7 -14.018 4.216 6.033 57 H VAL 8 HN VAL 8 -5.948 6.080 0.436 58 HA VAL 8 HA VAL 8 -3.795 6.922 2.065 59 HB VAL 8 HB VAL 8 -4.064 6.755 -0.975 60 HG11 VAL 8 HG11 VAL 8 -1.504 7.272 0.594 61 HG12 VAL 8 HG12 VAL 8 -2.291 8.404 -0.508 62 HG13 VAL 8 HG13 VAL 8 -1.586 6.911 -1.131 63 HG21 VAL 8 HG21 VAL 8 -4.208 4.612 0.235 64 HG22 VAL 8 HG22 VAL 8 -2.669 4.947 1.032 65 HG23 VAL 8 HG23 VAL 8 -2.721 4.698 -0.714 66 H ALA 9 HN ALA 9 -5.836 8.664 -0.212 67 HA ALA 9 HA ALA 9 -4.485 11.121 -0.347 68 HB1 ALA 9 HB1 ALA 9 -6.596 11.963 -1.328 69 HB2 ALA 9 HB2 ALA 9 -7.424 10.493 -0.803 70 HB3 ALA 9 HB3 ALA 9 -6.146 10.397 -2.015 71 H THR 10 HN THR 10 -7.197 9.999 1.642 72 HA THR 10 HA THR 10 -7.634 12.321 3.167 73 HB THR 10 HB THR 10 -8.130 9.414 3.973 74 HG1 THR 10 HG1 THR 10 -9.134 10.623 1.960 75 HG21 THR 10 HG21 THR 10 -9.897 10.333 5.450 76 HG22 THR 10 HG22 THR 10 -9.413 11.972 5.016 77 HG23 THR 10 HG23 THR 10 -8.305 10.936 5.916 78 H ILE 11 HN ILE 11 -5.561 9.470 3.748 79 HA ILE 11 HA ILE 11 -4.529 10.169 6.269 80 HB ILE 11 HB ILE 11 -3.342 8.465 4.035 81 HG12 ILE 11 HG12 ILE 11 -4.583 7.679 6.710 82 HG13 ILE 11 HG11 ILE 11 -5.423 7.629 5.168 83 HG21 ILE 11 HG21 ILE 11 -2.225 8.799 6.844 84 HG22 ILE 11 HG22 ILE 11 -1.439 9.291 5.343 85 HG23 ILE 11 HG23 ILE 11 -1.696 7.580 5.680 86 HD11 ILE 11 HD11 ILE 11 -4.708 5.422 5.861 87 HD12 ILE 11 HD12 ILE 11 -3.031 5.958 5.936 88 HD13 ILE 11 HD13 ILE 11 -3.870 5.900 4.384 89 H ILE 12 HN ILE 12 -3.422 11.028 2.980 90 HA ILE 12 HA ILE 12 -0.937 12.190 3.743 91 HB ILE 12 HB ILE 12 -2.629 12.248 1.219 92 HG12 ILE 12 HG12 ILE 12 0.091 11.047 1.873 93 HG13 ILE 12 HG11 ILE 12 -1.421 10.168 1.675 94 HG21 ILE 12 HG21 ILE 12 -1.605 14.447 1.229 95 HG22 ILE 12 HG22 ILE 12 -0.841 13.441 0.001 96 HG23 ILE 12 HG23 ILE 12 -0.013 13.748 1.531 97 HD11 ILE 12 HD11 ILE 12 0.015 9.913 -0.246 98 HD12 ILE 12 HD12 ILE 12 0.068 11.656 -0.479 99 HD13 ILE 12 HD13 ILE 12 -1.452 10.781 -0.697 100 H ALA 13 HN ALA 13 -4.146 13.511 2.984 101 HA ALA 13 HA ALA 13 -3.705 16.223 3.330 102 HB1 ALA 13 HB1 ALA 13 -6.217 14.658 4.020 103 HB2 ALA 13 HB2 ALA 13 -5.791 15.273 2.422 104 HB3 ALA 13 HB3 ALA 13 -6.123 16.402 3.737 105 H GLU 14 HN GLU 14 -4.683 13.830 5.812 106 HA GLU 14 HA GLU 14 -4.784 15.750 7.945 107 HB2 GLU 14 HB2 GLU 14 -4.746 12.708 8.148 108 HB3 GLU 14 HB1 GLU 14 -5.232 13.829 9.420 109 HG2 GLU 14 HG2 GLU 14 -6.669 13.260 6.810 110 HG3 GLU 14 HG1 GLU 14 -7.209 12.861 8.438 111 H THR 15 HN THR 15 -2.246 13.698 6.670 112 HA THR 15 HA THR 15 -0.620 13.745 9.062 113 HB THR 15 HB THR 15 0.041 12.752 6.256 114 HG1 THR 15 HG1 THR 15 -0.969 11.012 6.875 115 HG21 THR 15 HG21 THR 15 2.120 13.241 7.493 116 HG22 THR 15 HG22 THR 15 1.884 11.500 7.339 117 HG23 THR 15 HG23 THR 15 1.532 12.299 8.869 118 H CYS 16 HN CYS 16 -0.325 15.223 5.772 119 HA CYS 16 HA CYS 16 1.925 16.881 6.759 120 HB2 CYS 16 HB2 CYS 16 1.498 15.714 3.975 121 HB3 CYS 16 HB1 CYS 16 2.817 16.795 4.430 122 HG CYS 16 HG CYS 16 4.084 15.067 6.096 123 H ASP 17 HN ASP 17 -1.212 17.257 6.245 124 HA ASP 17 HA ASP 17 -2.616 18.961 5.774 125 HB2 ASP 17 HB2 ASP 17 -1.145 20.124 7.419 126 HB3 ASP 17 HB1 ASP 17 -0.101 20.668 6.112 127 H ILE 18 HN ILE 18 -2.090 17.613 3.584 128 HA ILE 18 HA ILE 18 -1.378 19.467 1.411 129 HB ILE 18 HB ILE 18 -1.935 16.477 1.203 130 HG12 ILE 18 HG12 ILE 18 0.030 16.868 2.676 131 HG13 ILE 18 HG11 ILE 18 0.507 16.129 1.155 132 HG21 ILE 18 HG21 ILE 18 -0.613 18.402 -0.751 133 HG22 ILE 18 HG22 ILE 18 -2.209 17.673 -0.925 134 HG23 ILE 18 HG23 ILE 18 -0.769 16.656 -0.983 135 HD11 ILE 18 HD11 ILE 18 2.082 17.832 1.897 136 HD12 ILE 18 HD12 ILE 18 0.815 19.057 1.838 137 HD13 ILE 18 HD13 ILE 18 1.348 18.261 0.353 138 HA PRO 19 HA PRO 19 -5.818 20.237 0.872 139 HB2 PRO 19 HB2 PRO 19 -4.957 21.307 -1.805 140 HB3 PRO 19 HB1 PRO 19 -5.888 22.100 -0.528 141 HG2 PRO 19 HG2 PRO 19 -3.332 22.763 -0.983 142 HG3 PRO 19 HG1 PRO 19 -3.981 22.702 0.674 143 HD2 PRO 19 HD2 PRO 19 -2.252 20.692 -0.768 144 HD3 PRO 19 HD1 PRO 19 -2.164 21.252 0.918 145 H ARG 20 HN ARG 20 -7.303 18.767 0.205 146 HA ARG 20 HA ARG 20 -6.746 16.542 -1.392 147 HB2 ARG 20 HB2 ARG 20 -8.564 16.599 0.302 148 HB3 ARG 20 HB1 ARG 20 -9.491 17.695 -0.723 149 HG2 ARG 20 HG2 ARG 20 -10.348 15.416 -0.922 150 HG3 ARG 20 HG1 ARG 20 -9.648 15.939 -2.453 151 HD2 ARG 20 HD2 ARG 20 -7.510 14.724 -1.740 152 HD3 ARG 20 HD1 ARG 20 -8.463 14.009 -0.443 153 HE ARG 20 HE ARG 20 -8.785 13.558 -3.334 154 HH11 ARG 20 HH11 ARG 20 -9.667 12.584 -0.056 155 HH12 ARG 20 HH12 ARG 20 -10.483 11.151 -0.598 156 HH21 ARG 20 HH21 ARG 20 -9.804 11.673 -4.005 157 HH22 ARG 20 HH22 ARG 20 -10.545 10.630 -2.832 158 H GLU 21 HN GLU 21 -7.823 19.734 -2.354 159 HA GLU 21 HA GLU 21 -8.852 19.135 -4.927 160 HB2 GLU 21 HB2 GLU 21 -8.557 21.574 -5.358 161 HB3 GLU 21 HB1 GLU 21 -9.371 21.243 -3.833 162 HG2 GLU 21 HG2 GLU 21 -7.252 21.648 -2.621 163 HG3 GLU 21 HG1 GLU 21 -6.451 22.007 -4.145 164 H THR 22 HN THR 22 -5.570 19.678 -3.724 165 HA THR 22 HA THR 22 -4.394 19.627 -6.405 166 HB THR 22 HB THR 22 -2.211 19.929 -5.223 167 HG1 THR 22 HG1 THR 22 -3.265 18.857 -3.182 168 HG21 THR 22 HG21 THR 22 -2.622 22.200 -4.338 169 HG22 THR 22 HG22 THR 22 -4.354 21.868 -4.269 170 HG23 THR 22 HG23 THR 22 -3.531 21.935 -5.830 171 H ILE 23 HN ILE 23 -5.412 17.397 -4.096 172 HA ILE 23 HA ILE 23 -3.515 15.264 -4.741 173 HB ILE 23 HB ILE 23 -5.950 15.370 -2.910 174 HG12 ILE 23 HG12 ILE 23 -2.972 15.113 -2.245 175 HG13 ILE 23 HG11 ILE 23 -3.936 16.572 -2.054 176 HG21 ILE 23 HG21 ILE 23 -4.110 13.009 -3.375 177 HG22 ILE 23 HG22 ILE 23 -5.808 13.113 -3.836 178 HG23 ILE 23 HG23 ILE 23 -5.354 13.102 -2.134 179 HD11 ILE 23 HD11 ILE 23 -5.297 15.432 -0.352 180 HD12 ILE 23 HD12 ILE 23 -3.588 15.483 0.074 181 HD13 ILE 23 HD13 ILE 23 -4.296 13.986 -0.533 182 H THR 24 HN THR 24 -3.791 14.234 -6.595 183 HA THR 24 HA THR 24 -6.442 13.318 -7.515 184 HB THR 24 HB THR 24 -5.753 13.705 -9.878 185 HG1 THR 24 HG1 THR 24 -3.326 14.087 -8.795 186 HG21 THR 24 HG21 THR 24 -5.885 16.152 -9.987 187 HG22 THR 24 HG22 THR 24 -5.485 16.266 -8.274 188 HG23 THR 24 HG23 THR 24 -7.012 15.532 -8.775 189 HA PRO 25 HA PRO 25 -4.613 9.177 -7.893 190 HB2 PRO 25 HB2 PRO 25 -5.307 9.306 -10.831 191 HB3 PRO 25 HB1 PRO 25 -5.572 7.993 -9.674 192 HG2 PRO 25 HG2 PRO 25 -7.591 9.587 -10.358 193 HG3 PRO 25 HG1 PRO 25 -7.397 9.069 -8.669 194 HD2 PRO 25 HD2 PRO 25 -6.803 11.734 -9.917 195 HD3 PRO 25 HD1 PRO 25 -7.401 11.359 -8.287 196 H GLU 26 HN GLU 26 -3.711 11.537 -10.429 197 HA GLU 26 HA GLU 26 -1.238 10.067 -11.069 198 HB2 GLU 26 HB2 GLU 26 -2.497 12.502 -12.399 199 HB3 GLU 26 HB1 GLU 26 -1.025 11.704 -12.946 200 HG2 GLU 26 HG2 GLU 26 -2.300 9.662 -13.430 201 HG3 GLU 26 HG1 GLU 26 -3.780 10.432 -12.855 202 H SER 27 HN SER 27 -1.925 11.948 -8.611 203 HA SER 27 HA SER 27 0.035 14.076 -8.814 204 HB2 SER 27 HB2 SER 27 -1.619 13.052 -6.462 205 HB3 SER 27 HB1 SER 27 -0.408 14.327 -6.294 206 HG SER 27 HG SER 27 -1.725 15.684 -7.177 207 H HIS 28 HN HIS 28 2.121 13.903 -8.342 208 HA HIS 28 HA HIS 28 3.256 11.452 -7.252 209 HB2 HIS 28 HB2 HIS 28 4.261 12.820 -9.199 210 HB3 HIS 28 HB1 HIS 28 4.716 14.022 -7.998 211 HD2 HIS 28 HD2 HIS 28 5.923 10.745 -9.472 212 HE1 HIS 28 HE1 HIS 28 8.426 11.627 -6.195 213 HE2 HIS 28 HE2 HIS 28 8.228 10.385 -8.381 214 H ALA 29 HN ALA 29 3.285 11.281 -5.020 215 HA ALA 29 HA ALA 29 2.598 13.134 -3.162 216 HB1 ALA 29 HB1 ALA 29 4.546 10.839 -2.787 217 HB2 ALA 29 HB2 ALA 29 2.786 10.730 -2.726 218 HB3 ALA 29 HB3 ALA 29 3.651 11.661 -1.502 219 H ILE 30 HN ILE 30 5.827 12.769 -4.621 220 HA ILE 30 HA ILE 30 7.031 14.390 -2.476 221 HB ILE 30 HB ILE 30 8.392 12.742 -4.650 222 HG12 ILE 30 HG12 ILE 30 7.954 12.199 -1.674 223 HG13 ILE 30 HG11 ILE 30 7.296 11.278 -3.022 224 HG21 ILE 30 HG21 ILE 30 9.653 14.226 -2.309 225 HG22 ILE 30 HG22 ILE 30 9.800 14.651 -4.015 226 HG23 ILE 30 HG23 ILE 30 10.502 13.145 -3.424 227 HD11 ILE 30 HD11 ILE 30 10.195 11.437 -2.206 228 HD12 ILE 30 HD12 ILE 30 9.575 10.544 -3.596 229 HD13 ILE 30 HD13 ILE 30 9.096 10.079 -1.965 230 H ASP 31 HN ASP 31 6.523 14.315 -5.975 231 HA ASP 31 HA ASP 31 8.073 16.759 -6.422 232 HB2 ASP 31 HB2 ASP 31 8.428 14.891 -7.963 233 HB3 ASP 31 HB1 ASP 31 6.712 14.838 -8.353 234 H ASP 32 HN ASP 32 4.700 15.654 -6.701 235 HA ASP 32 HA ASP 32 3.793 18.240 -7.753 236 HB2 ASP 32 HB2 ASP 32 2.895 16.206 -8.793 237 HB3 ASP 32 HB1 ASP 32 2.312 15.620 -7.242 238 H LEU 33 HN LEU 33 3.123 16.124 -4.936 239 HA LEU 33 HA LEU 33 1.520 18.137 -3.598 240 HB2 LEU 33 HB2 LEU 33 2.471 15.428 -2.583 241 HB3 LEU 33 HB1 LEU 33 1.240 16.440 -1.834 242 HG LEU 33 HG LEU 33 1.021 15.013 -4.520 243 HD11 LEU 33 HD11 LEU 33 -0.704 13.667 -3.420 244 HD12 LEU 33 HD12 LEU 33 -0.425 14.518 -1.896 245 HD13 LEU 33 HD13 LEU 33 0.850 13.518 -2.601 246 HD21 LEU 33 HD21 LEU 33 -1.327 15.822 -4.578 247 HD22 LEU 33 HD22 LEU 33 -0.166 17.142 -4.667 248 HD23 LEU 33 HD23 LEU 33 -1.014 16.819 -3.153 249 H GLY 34 HN GLY 34 4.834 17.464 -3.799 250 HA2 GLY 34 HA2 GLY 34 6.678 18.433 -2.841 251 HA3 GLY 34 HA1 GLY 34 5.592 19.596 -2.101 252 H ILE 35 HN ILE 35 5.539 16.118 -1.554 253 HA ILE 35 HA ILE 35 6.025 16.484 1.334 254 HB ILE 35 HB ILE 35 5.099 13.998 -0.190 255 HG12 ILE 35 HG12 ILE 35 3.320 15.857 1.452 256 HG13 ILE 35 HG11 ILE 35 3.470 15.964 -0.300 257 HG21 ILE 35 HG21 ILE 35 5.060 14.551 2.800 258 HG22 ILE 35 HG22 ILE 35 6.166 13.458 1.963 259 HG23 ILE 35 HG23 ILE 35 4.439 13.103 2.009 260 HD11 ILE 35 HD11 ILE 35 2.604 13.685 -0.514 261 HD12 ILE 35 HD12 ILE 35 1.483 14.750 0.333 262 HD13 ILE 35 HD13 ILE 35 2.442 13.587 1.242 263 H ASP 36 HN ASP 36 8.121 16.149 1.989 264 HA ASP 36 HA ASP 36 9.969 14.752 0.178 265 HB2 ASP 36 HB2 ASP 36 10.418 16.531 2.603 266 HB3 ASP 36 HB1 ASP 36 11.727 15.666 1.795 267 H SER 37 HN SER 37 11.873 13.835 1.895 268 HA SER 37 HA SER 37 11.173 11.196 2.061 269 HB2 SER 37 HB2 SER 37 13.454 12.103 1.978 270 HB3 SER 37 HB1 SER 37 13.303 12.669 3.634 271 H LEU 38 HN LEU 38 11.813 13.139 5.033 272 HA LEU 38 HA LEU 38 11.012 11.177 6.875 273 HB2 LEU 38 HB2 LEU 38 11.047 14.194 7.235 274 HB3 LEU 38 HB1 LEU 38 10.962 13.027 8.551 275 HG LEU 38 HG LEU 38 13.304 13.370 6.633 276 HD11 LEU 38 HD11 LEU 38 13.082 14.148 9.556 277 HD12 LEU 38 HD12 LEU 38 13.099 15.254 8.179 278 HD13 LEU 38 HD13 LEU 38 14.525 14.284 8.543 279 HD21 LEU 38 HD21 LEU 38 14.516 11.784 8.064 280 HD22 LEU 38 HD22 LEU 38 13.095 11.032 7.350 281 HD23 LEU 38 HD23 LEU 38 13.066 11.531 9.043 282 H ASP 39 HN ASP 39 9.192 13.767 5.354 283 HA ASP 39 HA ASP 39 6.796 13.616 6.858 284 HB2 ASP 39 HB2 ASP 39 7.204 14.569 3.986 285 HB3 ASP 39 HB1 ASP 39 5.781 14.891 4.976 286 H PHE 40 HN PHE 40 7.870 12.020 3.862 287 HA PHE 40 HA PHE 40 5.320 10.754 3.371 288 HB2 PHE 40 HB2 PHE 40 6.857 11.437 1.498 289 HB3 PHE 40 HB1 PHE 40 7.990 10.184 2.005 290 HD1 PHE 40 HD1 PHE 40 4.429 10.673 0.939 291 HD2 PHE 40 HD2 PHE 40 7.750 7.983 1.107 292 HE1 PHE 40 HE1 PHE 40 3.174 9.030 -0.381 293 HE2 PHE 40 HE2 PHE 40 6.482 6.347 -0.222 294 HZ PHE 40 HZ PHE 40 4.195 6.869 -0.966 295 H LEU 41 HN LEU 41 8.361 9.859 4.927 296 HA LEU 41 HA LEU 41 7.982 7.063 5.190 297 HB2 LEU 41 HB2 LEU 41 9.387 8.989 7.100 298 HB3 LEU 41 HB1 LEU 41 9.506 7.236 7.180 299 HG LEU 41 HG LEU 41 10.543 8.980 4.912 300 HD11 LEU 41 HD11 LEU 41 12.783 8.357 5.684 301 HD12 LEU 41 HD12 LEU 41 12.084 7.466 7.038 302 HD13 LEU 41 HD13 LEU 41 11.887 9.218 6.937 303 HD21 LEU 41 HD21 LEU 41 10.756 5.972 5.258 304 HD22 LEU 41 HD22 LEU 41 11.558 6.926 4.007 305 HD23 LEU 41 HD23 LEU 41 9.802 6.823 4.040 306 H ASP 42 HN ASP 42 6.994 9.838 7.114 307 HA ASP 42 HA ASP 42 5.683 8.489 9.240 308 HB2 ASP 42 HB2 ASP 42 6.523 10.870 9.291 309 HB3 ASP 42 HB1 ASP 42 5.206 11.324 8.217 310 H ILE 43 HN ILE 43 4.522 9.846 6.140 311 HA ILE 43 HA ILE 43 1.776 9.203 6.394 312 HB ILE 43 HB ILE 43 3.469 9.383 3.855 313 HG12 ILE 43 HG12 ILE 43 1.640 11.428 5.192 314 HG13 ILE 43 HG11 ILE 43 3.393 11.509 5.094 315 HG21 ILE 43 HG21 ILE 43 1.444 8.056 3.390 316 HG22 ILE 43 HG22 ILE 43 1.340 9.627 2.599 317 HG23 ILE 43 HG23 ILE 43 0.429 9.328 4.081 318 HD11 ILE 43 HD11 ILE 43 1.460 11.715 2.795 319 HD12 ILE 43 HD12 ILE 43 3.219 11.740 2.652 320 HD13 ILE 43 HD13 ILE 43 2.385 13.023 3.527 321 H ALA 44 HN ALA 44 4.585 7.273 5.389 322 HA ALA 44 HA ALA 44 3.078 5.166 4.147 323 HB1 ALA 44 HB1 ALA 44 5.993 5.276 5.003 324 HB2 ALA 44 HB2 ALA 44 5.365 5.716 3.414 325 HB3 ALA 44 HB3 ALA 44 5.267 4.042 3.967 326 H PHE 45 HN PHE 45 4.491 5.812 7.307 327 HA PHE 45 HA PHE 45 3.969 3.237 8.471 328 HB2 PHE 45 HB2 PHE 45 4.765 5.938 9.588 329 HB3 PHE 45 HB1 PHE 45 4.189 4.696 10.695 330 HD1 PHE 45 HD1 PHE 45 5.295 2.331 10.392 331 HD2 PHE 45 HD2 PHE 45 7.106 5.998 9.155 332 HE1 PHE 45 HE1 PHE 45 7.492 1.269 10.490 333 HE2 PHE 45 HE2 PHE 45 9.318 4.923 9.243 334 HZ PHE 45 HZ PHE 45 9.520 2.557 9.909 335 H ALA 46 HN ALA 46 2.176 6.238 8.113 336 HA ALA 46 HA ALA 46 -0.004 5.583 9.837 337 HB1 ALA 46 HB1 ALA 46 0.500 7.897 9.192 338 HB2 ALA 46 HB2 ALA 46 -1.159 7.467 8.764 339 HB3 ALA 46 HB3 ALA 46 0.091 7.528 7.515 340 H ILE 47 HN ILE 47 0.662 5.049 6.406 341 HA ILE 47 HA ILE 47 -1.892 3.903 5.717 342 HB ILE 47 HB ILE 47 0.818 3.801 4.311 343 HG12 ILE 47 HG12 ILE 47 -1.648 5.478 3.655 344 HG13 ILE 47 HG11 ILE 47 -0.216 6.081 4.480 345 HG21 ILE 47 HG21 ILE 47 -0.510 1.866 3.599 346 HG22 ILE 47 HG22 ILE 47 -0.372 3.037 2.294 347 HG23 ILE 47 HG23 ILE 47 -1.874 2.921 3.208 348 HD11 ILE 47 HD11 ILE 47 -0.297 5.026 1.646 349 HD12 ILE 47 HD12 ILE 47 1.125 5.665 2.478 350 HD13 ILE 47 HD13 ILE 47 -0.245 6.719 2.136 351 H ASP 48 HN ASP 48 1.290 2.671 6.580 352 HA ASP 48 HA ASP 48 1.101 -0.062 6.171 353 HB2 ASP 48 HB2 ASP 48 3.145 1.279 6.827 354 HB3 ASP 48 HB1 ASP 48 2.520 1.383 8.462 355 H LYS 49 HN LYS 49 0.210 1.851 8.984 356 HA LYS 49 HA LYS 49 -0.771 -0.360 10.556 357 HB2 LYS 49 HB2 LYS 49 -0.795 2.657 10.972 358 HB3 LYS 49 HB1 LYS 49 -1.365 1.496 12.174 359 HG2 LYS 49 HG2 LYS 49 0.825 0.525 12.403 360 HG3 LYS 49 HG1 LYS 49 1.440 1.434 11.020 361 HD2 LYS 49 HD2 LYS 49 1.276 3.517 12.265 362 HD3 LYS 49 HD1 LYS 49 0.524 2.692 13.634 363 HE2 LYS 49 HE2 LYS 49 2.594 1.427 14.020 364 HE3 LYS 49 HE1 LYS 49 3.336 2.169 12.602 365 HZ1 LYS 49 HZ1 LYS 49 4.058 3.229 14.634 366 HZ2 LYS 49 HZ2 LYS 49 2.461 3.605 15.049 367 HZ3 LYS 49 HZ3 LYS 49 3.171 4.313 13.688 368 H ALA 50 HN ALA 50 -2.262 2.324 8.686 369 HA ALA 50 HA ALA 50 -4.925 2.012 9.329 370 HB1 ALA 50 HB1 ALA 50 -5.444 3.094 7.174 371 HB2 ALA 50 HB2 ALA 50 -3.803 2.769 6.607 372 HB3 ALA 50 HB3 ALA 50 -4.067 3.870 7.959 373 H PHE 51 HN PHE 51 -3.370 0.556 6.445 374 HA PHE 51 HA PHE 51 -5.633 -1.192 5.945 375 HB2 PHE 51 HB2 PHE 51 -2.968 -0.878 4.513 376 HB3 PHE 51 HB1 PHE 51 -4.252 -1.952 3.974 377 HD1 PHE 51 HD2 PHE 51 -3.322 1.624 4.452 378 HD2 PHE 51 HD1 PHE 51 -6.151 -1.105 2.763 379 HE1 PHE 51 HE2 PHE 51 -4.301 3.452 3.121 380 HE2 PHE 51 HE1 PHE 51 -7.122 0.724 1.441 381 HZ PHE 51 HZ PHE 51 -6.197 2.999 1.608 382 H GLY 52 HN GLY 52 -3.023 -1.428 8.036 383 HA2 GLY 52 HA2 GLY 52 -2.100 -3.107 9.259 384 HA3 GLY 52 HA1 GLY 52 -3.448 -4.111 8.741 385 H ILE 53 HN ILE 53 -0.964 -2.631 6.691 386 HA ILE 53 HA ILE 53 0.076 -5.316 5.973 387 HB ILE 53 HB ILE 53 0.462 -4.280 3.594 388 HG12 ILE 53 HG12 ILE 53 -1.505 -2.662 2.979 389 HG13 ILE 53 HG11 ILE 53 -1.637 -2.356 4.699 390 HG21 ILE 53 HG21 ILE 53 -2.334 -5.027 4.499 391 HG22 ILE 53 HG22 ILE 53 -1.045 -6.147 4.048 392 HG23 ILE 53 HG23 ILE 53 -1.738 -5.067 2.837 393 HD11 ILE 53 HD11 ILE 53 -0.431 -0.614 3.523 394 HD12 ILE 53 HD12 ILE 53 0.788 -1.784 3.010 395 HD13 ILE 53 HD13 ILE 53 0.587 -1.408 4.724 396 H LYS 54 HN LYS 54 2.256 -5.435 5.357 397 HA LYS 54 HA LYS 54 3.991 -3.380 6.524 398 HB2 LYS 54 HB2 LYS 54 4.747 -6.071 5.270 399 HB3 LYS 54 HB1 LYS 54 5.799 -5.025 6.224 400 HG2 LYS 54 HG2 LYS 54 3.322 -6.441 7.264 401 HG3 LYS 54 HG1 LYS 54 4.982 -7.011 7.470 402 HD2 LYS 54 HD2 LYS 54 5.504 -4.966 8.791 403 HD3 LYS 54 HD1 LYS 54 3.834 -4.414 8.588 404 HE2 LYS 54 HE2 LYS 54 3.012 -6.345 9.842 405 HE3 LYS 54 HE1 LYS 54 4.643 -7.011 9.952 406 HZ1 LYS 54 HZ1 LYS 54 3.939 -5.892 11.968 407 HZ2 LYS 54 HZ2 LYS 54 3.774 -4.436 11.128 408 HZ3 LYS 54 HZ3 LYS 54 5.295 -5.159 11.287 409 H LEU 55 HN LEU 55 4.104 -1.610 5.027 410 HA LEU 55 HA LEU 55 4.493 -1.968 2.224 411 HB2 LEU 55 HB2 LEU 55 5.106 0.383 4.070 412 HB3 LEU 55 HB1 LEU 55 5.270 0.449 2.321 413 HG LEU 55 HG LEU 55 2.643 0.017 3.816 414 HD11 LEU 55 HD11 LEU 55 3.494 2.292 4.133 415 HD12 LEU 55 HD12 LEU 55 2.060 2.291 3.114 416 HD13 LEU 55 HD13 LEU 55 3.657 2.500 2.388 417 HD21 LEU 55 HD21 LEU 55 2.622 -1.055 1.598 418 HD22 LEU 55 HD22 LEU 55 3.116 0.457 0.846 419 HD23 LEU 55 HD23 LEU 55 1.545 0.336 1.642 420 HA PRO 56 HA PRO 56 9.031 -2.652 2.661 421 HB2 PRO 56 HB2 PRO 56 9.512 -3.480 0.135 422 HB3 PRO 56 HB1 PRO 56 8.769 -4.561 1.324 423 HG2 PRO 56 HG2 PRO 56 7.462 -2.959 -0.872 424 HG3 PRO 56 HG1 PRO 56 7.161 -4.640 -0.382 425 HD2 PRO 56 HD2 PRO 56 5.587 -2.515 0.411 426 HD3 PRO 56 HD1 PRO 56 5.758 -4.011 1.355 427 H LEU 57 HN LEU 57 8.321 -0.188 2.816 428 HA LEU 57 HA LEU 57 8.390 1.537 0.584 429 HB2 LEU 57 HB2 LEU 57 7.391 1.900 2.972 430 HB3 LEU 57 HB1 LEU 57 9.007 2.339 3.467 431 HG LEU 57 HG LEU 57 7.555 4.308 3.089 432 HD11 LEU 57 HD11 LEU 57 9.795 4.268 1.064 433 HD12 LEU 57 HD12 LEU 57 9.955 4.632 2.781 434 HD13 LEU 57 HD13 LEU 57 9.014 5.702 1.743 435 HD21 LEU 57 HD21 LEU 57 6.106 3.368 1.363 436 HD22 LEU 57 HD22 LEU 57 7.424 3.455 0.192 437 HD23 LEU 57 HD23 LEU 57 6.753 4.933 0.882 438 H GLU 58 HN GLU 58 10.812 0.567 2.995 439 HA GLU 58 HA GLU 58 12.913 2.291 2.145 440 HB2 GLU 58 HB2 GLU 58 13.023 -0.319 3.716 441 HB3 GLU 58 HB1 GLU 58 14.366 0.813 3.549 442 HG2 GLU 58 HG2 GLU 58 13.102 2.538 4.733 443 HG3 GLU 58 HG1 GLU 58 11.696 1.478 4.831 444 H LYS 59 HN LYS 59 12.014 -1.056 1.276 445 HA LYS 59 HA LYS 59 14.193 -1.623 -0.428 446 HB2 LYS 59 HB2 LYS 59 12.609 -3.398 0.254 447 HB3 LYS 59 HB1 LYS 59 11.317 -2.611 -0.642 448 HG2 LYS 59 HG2 LYS 59 12.580 -3.005 -2.769 449 HG3 LYS 59 HG1 LYS 59 13.820 -3.850 -1.842 450 HD2 LYS 59 HD2 LYS 59 12.352 -5.485 -2.883 451 HD3 LYS 59 HD1 LYS 59 12.115 -5.532 -1.138 452 HE2 LYS 59 HE2 LYS 59 9.970 -5.694 -2.300 453 HE3 LYS 59 HE1 LYS 59 10.051 -4.187 -1.391 454 HZ1 LYS 59 HZ1 LYS 59 10.557 -3.019 -3.422 455 HZ2 LYS 59 HZ2 LYS 59 9.118 -3.891 -3.600 456 HZ3 LYS 59 HZ3 LYS 59 10.547 -4.461 -4.298 457 H TRP 60 HN TRP 60 11.001 -0.175 -1.085 458 HA TRP 60 HA TRP 60 11.212 0.277 -3.845 459 HB2 TRP 60 HB2 TRP 60 9.706 1.912 -1.755 460 HB3 TRP 60 HB1 TRP 60 9.480 2.072 -3.495 461 HD1 TRP 60 HD1 TRP 60 9.630 -1.403 -3.594 462 HE1 TRP 60 HE1 TRP 60 7.375 -2.543 -3.157 463 HE3 TRP 60 HE3 TRP 60 7.152 2.487 -1.385 464 HZ2 TRP 60 HZ2 TRP 60 4.895 -1.906 -2.026 465 HZ3 TRP 60 HZ3 TRP 60 4.834 2.131 -0.645 466 HH2 TRP 60 HH2 TRP 60 3.729 -0.025 -0.962 467 H THR 61 HN THR 61 12.249 2.204 -1.081 468 HA THR 61 HA THR 61 13.053 4.554 -2.435 469 HB THR 61 HB THR 61 14.041 3.430 0.226 470 HG1 THR 61 HG1 THR 61 11.673 4.014 -0.185 471 HG21 THR 61 HG21 THR 61 14.208 6.277 -0.830 472 HG22 THR 61 HG22 THR 61 15.574 5.186 -0.583 473 HG23 THR 61 HG23 THR 61 14.644 5.765 0.801 474 H GLN 62 HN GLN 62 14.751 1.472 -1.718 475 HA GLN 62 HA GLN 62 17.345 2.432 -2.508 476 HB2 GLN 62 HB2 GLN 62 16.276 -0.380 -2.018 477 HB3 GLN 62 HB1 GLN 62 17.961 -0.015 -2.366 478 HG2 GLN 62 HG2 GLN 62 16.560 1.219 0.003 479 HG3 GLN 62 HG1 GLN 62 17.233 -0.401 0.081 480 HE21 GLN 62 HE21 GLN 62 18.900 2.198 -1.724 481 HE22 GLN 62 HE22 GLN 62 20.194 2.359 -0.604 482 H GLU 63 HN GLU 63 14.641 0.717 -4.000 483 HA GLU 63 HA GLU 63 15.909 -0.046 -6.426 484 HB2 GLU 63 HB2 GLU 63 12.963 0.419 -5.787 485 HB3 GLU 63 HB1 GLU 63 13.546 -0.268 -7.304 486 HG2 GLU 63 HG2 GLU 63 14.487 -2.175 -6.111 487 HG3 GLU 63 HG1 GLU 63 13.990 -1.491 -4.563 488 H VAL 64 HN VAL 64 13.956 2.772 -5.527 489 HA VAL 64 HA VAL 64 13.895 4.128 -7.974 490 HB VAL 64 HB VAL 64 13.816 5.189 -5.117 491 HG11 VAL 64 HG11 VAL 64 13.291 6.779 -7.660 492 HG12 VAL 64 HG12 VAL 64 14.623 7.032 -6.528 493 HG13 VAL 64 HG13 VAL 64 12.962 7.343 -6.019 494 HG21 VAL 64 HG21 VAL 64 11.596 4.821 -7.168 495 HG22 VAL 64 HG22 VAL 64 11.392 5.442 -5.529 496 HG23 VAL 64 HG23 VAL 64 11.900 3.773 -5.780 497 H ASN 65 HN ASN 65 16.185 4.575 -5.248 498 HA ASN 65 HA ASN 65 17.807 6.457 -6.638 499 HB2 ASN 65 HB2 ASN 65 18.185 4.955 -4.025 500 HB3 ASN 65 HB1 ASN 65 19.436 6.020 -4.666 501 HD21 ASN 65 HD21 ASN 65 16.327 5.894 -3.112 502 HD22 ASN 65 HD22 ASN 65 16.142 7.588 -2.875 503 H ASP 66 HN ASP 66 17.966 2.909 -6.464 504 HA ASP 66 HA ASP 66 20.665 2.762 -7.526 505 HB2 ASP 66 HB2 ASP 66 19.580 1.026 -5.982 506 HB3 ASP 66 HB1 ASP 66 18.595 0.523 -7.339 507 H GLY 67 HN GLY 67 17.783 3.631 -8.946 508 HA2 GLY 67 HA2 GLY 67 17.086 3.818 -11.117 509 HA3 GLY 67 HA1 GLY 67 18.610 3.121 -11.635 510 H LYS 68 HN LYS 68 17.126 0.995 -9.458 511 HA LYS 68 HA LYS 68 16.360 -0.990 -11.358 512 HB2 LYS 68 HB2 LYS 68 15.457 -0.667 -8.459 513 HB3 LYS 68 HB1 LYS 68 15.261 -2.130 -9.427 514 HG2 LYS 68 HG2 LYS 68 17.725 -2.368 -9.520 515 HG3 LYS 68 HG1 LYS 68 17.893 -0.904 -8.540 516 HD2 LYS 68 HD2 LYS 68 16.584 -2.044 -6.712 517 HD3 LYS 68 HD1 LYS 68 16.564 -3.511 -7.695 518 HE2 LYS 68 HE2 LYS 68 19.010 -2.137 -6.536 519 HE3 LYS 68 HE1 LYS 68 18.318 -3.676 -6.024 520 HZ1 LYS 68 HZ1 LYS 68 20.219 -4.051 -7.414 521 HZ2 LYS 68 HZ2 LYS 68 19.576 -3.100 -8.652 522 HZ3 LYS 68 HZ3 LYS 68 18.839 -4.563 -8.238 523 H ALA 69 HN ALA 69 14.732 1.642 -9.797 524 HA ALA 69 HA ALA 69 12.447 1.513 -11.603 525 HB1 ALA 69 HB1 ALA 69 10.820 1.815 -9.748 526 HB2 ALA 69 HB2 ALA 69 12.123 1.623 -8.571 527 HB3 ALA 69 HB3 ALA 69 11.665 0.270 -9.605 528 H THR 70 HN THR 70 11.182 3.581 -11.304 529 HA THR 70 HA THR 70 12.926 5.887 -10.648 530 HB THR 70 HB THR 70 11.102 7.148 -12.084 531 HG1 THR 70 HG1 THR 70 9.676 5.914 -13.020 532 HG21 THR 70 HG21 THR 70 13.444 6.875 -12.836 533 HG22 THR 70 HG22 THR 70 12.310 6.701 -14.179 534 HG23 THR 70 HG23 THR 70 13.049 5.270 -13.460 535 H THR 71 HN THR 71 11.598 7.849 -9.937 536 HA THR 71 HA THR 71 10.615 7.321 -7.378 537 HB THR 71 HB THR 71 9.799 9.730 -7.385 538 HG1 THR 71 HG1 THR 71 10.801 10.799 -9.453 539 HG21 THR 71 HG21 THR 71 12.649 9.308 -8.345 540 HG22 THR 71 HG22 THR 71 12.095 9.250 -6.673 541 HG23 THR 71 HG23 THR 71 12.039 10.772 -7.566 542 H GLU 72 HN GLU 72 8.744 8.546 -10.171 543 HA GLU 72 HA GLU 72 6.230 8.469 -9.063 544 HB2 GLU 72 HB2 GLU 72 5.439 8.467 -11.539 545 HB3 GLU 72 HB1 GLU 72 6.437 9.785 -10.961 546 HG2 GLU 72 HG2 GLU 72 7.389 9.377 -13.019 547 HG3 GLU 72 HG1 GLU 72 8.424 8.417 -11.969 548 H GLN 73 HN GLN 73 7.916 5.731 -10.411 549 HA GLN 73 HA GLN 73 5.959 3.830 -10.843 550 HB2 GLN 73 HB2 GLN 73 8.693 3.456 -9.566 551 HB3 GLN 73 HB1 GLN 73 7.672 2.100 -10.026 552 HG2 GLN 73 HG2 GLN 73 8.674 4.199 -11.965 553 HG3 GLN 73 HG1 GLN 73 9.494 2.673 -11.661 554 HE21 GLN 73 HE21 GLN 73 8.569 0.754 -12.422 555 HE22 GLN 73 HE22 GLN 73 7.325 0.741 -13.617 556 H TYR 74 HN TYR 74 7.136 4.989 -7.730 557 HA TYR 74 HA TYR 74 5.163 3.275 -6.311 558 HB2 TYR 74 HB2 TYR 74 7.809 4.352 -5.235 559 HB3 TYR 74 HB1 TYR 74 6.667 3.348 -4.345 560 HD1 TYR 74 HD2 TYR 74 5.998 1.079 -5.712 561 HD2 TYR 74 HD1 TYR 74 9.684 3.217 -6.090 562 HE1 TYR 74 HE2 TYR 74 7.097 -0.953 -6.543 563 HE2 TYR 74 HE1 TYR 74 10.773 1.180 -6.919 564 HH TYR 74 HH TYR 74 10.448 -1.250 -6.772 565 H PHE 75 HN PHE 75 6.346 6.556 -6.813 566 HA PHE 75 HA PHE 75 5.036 7.525 -4.363 567 HB2 PHE 75 HB2 PHE 75 7.090 8.891 -6.146 568 HB3 PHE 75 HB1 PHE 75 6.434 9.553 -4.654 569 HD1 PHE 75 HD1 PHE 75 6.558 7.213 -2.817 570 HD2 PHE 75 HD2 PHE 75 9.381 8.597 -5.710 571 HE1 PHE 75 HE1 PHE 75 8.396 6.209 -1.517 572 HE2 PHE 75 HE2 PHE 75 11.208 7.589 -4.415 573 HZ PHE 75 HZ PHE 75 10.720 6.388 -2.317 574 H VAL 76 HN VAL 76 3.968 7.051 -7.404 575 HA VAL 76 HA VAL 76 2.316 9.523 -7.383 576 HB VAL 76 HB VAL 76 2.567 7.273 -9.428 577 HG11 VAL 76 HG11 VAL 76 0.761 8.313 -10.752 578 HG12 VAL 76 HG12 VAL 76 0.443 9.457 -9.445 579 HG13 VAL 76 HG13 VAL 76 0.162 7.731 -9.200 580 HG21 VAL 76 HG21 VAL 76 4.213 9.113 -9.589 581 HG22 VAL 76 HG22 VAL 76 2.895 10.279 -9.675 582 HG23 VAL 76 HG23 VAL 76 3.125 9.120 -10.984 583 H LEU 77 HN LEU 77 0.230 9.445 -6.710 584 HA LEU 77 HA LEU 77 -0.309 7.803 -4.573 585 HB2 LEU 77 HB2 LEU 77 -2.357 9.412 -6.133 586 HB3 LEU 77 HB1 LEU 77 -2.535 8.836 -4.479 587 HG LEU 77 HG LEU 77 -0.660 10.988 -5.500 588 HD11 LEU 77 HD11 LEU 77 -2.845 11.082 -3.415 589 HD12 LEU 77 HD12 LEU 77 -2.938 11.706 -5.066 590 HD13 LEU 77 HD13 LEU 77 -1.815 12.429 -3.918 591 HD21 LEU 77 HD21 LEU 77 0.651 9.646 -3.950 592 HD22 LEU 77 HD22 LEU 77 -0.624 9.744 -2.734 593 HD23 LEU 77 HD23 LEU 77 0.253 11.198 -3.221 594 H LYS 78 HN LYS 78 -1.606 7.413 -7.897 595 HA LYS 78 HA LYS 78 -3.385 5.252 -7.197 596 HB2 LYS 78 HB2 LYS 78 -3.685 4.953 -9.639 597 HB3 LYS 78 HB1 LYS 78 -3.845 6.643 -9.165 598 HG2 LYS 78 HG2 LYS 78 -1.510 7.047 -9.928 599 HG3 LYS 78 HG1 LYS 78 -1.426 5.374 -10.490 600 HD2 LYS 78 HD2 LYS 78 -3.224 5.801 -12.106 601 HD3 LYS 78 HD1 LYS 78 -3.419 7.448 -11.488 602 HE2 LYS 78 HE2 LYS 78 -2.137 7.473 -13.568 603 HE3 LYS 78 HE1 LYS 78 -1.118 7.987 -12.226 604 HZ1 LYS 78 HZ1 LYS 78 0.096 6.505 -13.622 605 HZ2 LYS 78 HZ2 LYS 78 -1.114 5.334 -13.547 606 HZ3 LYS 78 HZ3 LYS 78 -0.211 5.701 -12.163 607 H ASN 79 HN ASN 79 -0.044 5.454 -8.340 608 HA ASN 79 HA ASN 79 0.384 2.665 -8.865 609 HB2 ASN 79 HB2 ASN 79 2.385 4.888 -8.230 610 HB3 ASN 79 HB1 ASN 79 2.833 3.276 -8.784 611 HD21 ASN 79 HD21 ASN 79 3.835 4.011 -10.616 612 HD22 ASN 79 HD22 ASN 79 2.992 4.690 -11.959 613 H LEU 80 HN LEU 80 1.032 4.770 -6.128 614 HA LEU 80 HA LEU 80 2.157 2.985 -4.304 615 HB2 LEU 80 HB2 LEU 80 2.188 5.456 -4.024 616 HB3 LEU 80 HB1 LEU 80 0.449 5.457 -3.797 617 HG LEU 80 HG LEU 80 0.746 4.140 -1.682 618 HD11 LEU 80 HD11 LEU 80 2.973 3.918 -0.662 619 HD12 LEU 80 HD12 LEU 80 3.721 4.550 -2.132 620 HD13 LEU 80 HD13 LEU 80 2.849 3.015 -2.169 621 HD21 LEU 80 HD21 LEU 80 1.568 6.000 -0.310 622 HD22 LEU 80 HD22 LEU 80 0.518 6.586 -1.597 623 HD23 LEU 80 HD23 LEU 80 2.268 6.770 -1.738 624 H ALA 81 HN ALA 81 -1.209 3.958 -4.923 625 HA ALA 81 HA ALA 81 -2.491 2.497 -2.873 626 HB1 ALA 81 HB1 ALA 81 -3.608 3.387 -5.558 627 HB2 ALA 81 HB2 ALA 81 -3.581 4.350 -4.081 628 HB3 ALA 81 HB3 ALA 81 -4.562 2.887 -4.152 629 H ALA 82 HN ALA 82 -1.554 1.649 -6.187 630 HA ALA 82 HA ALA 82 -2.858 -0.868 -6.361 631 HB1 ALA 82 HB1 ALA 82 -1.353 -1.264 -8.277 632 HB2 ALA 82 HB2 ALA 82 -0.379 0.133 -7.810 633 HB3 ALA 82 HB3 ALA 82 -2.048 0.356 -8.339 634 H ARG 83 HN ARG 83 0.362 0.144 -5.281 635 HA ARG 83 HA ARG 83 1.497 -2.410 -4.805 636 HB2 ARG 83 HB2 ARG 83 2.147 0.388 -3.819 637 HB3 ARG 83 HB1 ARG 83 3.053 -1.002 -3.228 638 HG2 ARG 83 HG2 ARG 83 2.833 -0.145 -6.134 639 HG3 ARG 83 HG1 ARG 83 4.222 0.121 -5.071 640 HD2 ARG 83 HD2 ARG 83 4.462 -2.336 -4.798 641 HD3 ARG 83 HD1 ARG 83 3.112 -2.577 -5.915 642 HE ARG 83 HE ARG 83 5.016 -1.007 -7.209 643 HH11 ARG 83 HH11 ARG 83 4.683 -4.308 -6.034 644 HH12 ARG 83 HH12 ARG 83 5.844 -4.934 -7.161 645 HH21 ARG 83 HH21 ARG 83 6.527 -1.843 -8.649 646 HH22 ARG 83 HH22 ARG 83 6.892 -3.538 -8.637 647 H ILE 84 HN ILE 84 -0.275 -0.181 -2.702 648 HA ILE 84 HA ILE 84 0.005 -1.597 -0.259 649 HB ILE 84 HB ILE 84 -2.187 0.317 -1.181 650 HG12 ILE 84 HG12 ILE 84 0.195 0.996 0.592 651 HG13 ILE 84 HG11 ILE 84 0.274 1.139 -1.157 652 HG21 ILE 84 HG21 ILE 84 -2.642 0.716 1.237 653 HG22 ILE 84 HG22 ILE 84 -1.516 -0.578 1.651 654 HG23 ILE 84 HG23 ILE 84 -2.992 -0.946 0.756 655 HD11 ILE 84 HD11 ILE 84 -1.666 2.608 0.608 656 HD12 ILE 84 HD12 ILE 84 -1.479 2.794 -1.139 657 HD13 ILE 84 HD13 ILE 84 -0.169 3.257 -0.055 658 H ASP 85 HN ASP 85 -2.544 -1.528 -2.735 659 HA ASP 85 HA ASP 85 -4.335 -3.381 -1.581 660 HB2 ASP 85 HB2 ASP 85 -5.014 -1.783 -3.318 661 HB3 ASP 85 HB1 ASP 85 -3.934 -2.536 -4.485 662 H GLU 86 HN GLU 86 -1.563 -3.794 -3.722 663 HA GLU 86 HA GLU 86 -1.752 -6.525 -4.343 664 HB2 GLU 86 HB2 GLU 86 -0.259 -5.048 -5.561 665 HB3 GLU 86 HB1 GLU 86 0.572 -4.574 -4.083 666 HG2 GLU 86 HG2 GLU 86 1.513 -6.813 -3.878 667 HG3 GLU 86 HG1 GLU 86 0.667 -7.318 -5.336 668 H LEU 87 HN LEU 87 -0.263 -4.780 -1.618 669 HA LEU 87 HA LEU 87 0.798 -7.066 -0.269 670 HB2 LEU 87 HB2 LEU 87 0.146 -4.277 0.738 671 HB3 LEU 87 HB1 LEU 87 1.033 -5.483 1.668 672 HG LEU 87 HG LEU 87 1.982 -4.383 -1.008 673 HD11 LEU 87 HD11 LEU 87 1.902 -2.606 0.652 674 HD12 LEU 87 HD12 LEU 87 3.561 -3.032 0.247 675 HD13 LEU 87 HD13 LEU 87 2.858 -3.583 1.771 676 HD21 LEU 87 HD21 LEU 87 2.881 -6.617 -0.497 677 HD22 LEU 87 HD22 LEU 87 3.451 -6.046 1.074 678 HD23 LEU 87 HD23 LEU 87 4.145 -5.391 -0.413 679 H VAL 88 HN VAL 88 -2.338 -5.411 -0.182 680 HA VAL 88 HA VAL 88 -3.317 -6.702 2.206 681 HB VAL 88 HB VAL 88 -4.913 -5.312 -0.012 682 HG11 VAL 88 HG11 VAL 88 -6.755 -5.166 1.662 683 HG12 VAL 88 HG12 VAL 88 -5.794 -6.116 2.796 684 HG13 VAL 88 HG13 VAL 88 -6.352 -6.845 1.291 685 HG21 VAL 88 HG21 VAL 88 -3.329 -3.775 1.115 686 HG22 VAL 88 HG22 VAL 88 -3.996 -4.230 2.682 687 HG23 VAL 88 HG23 VAL 88 -4.999 -3.363 1.516 688 H ALA 89 HN ALA 89 -3.379 -7.387 -1.245 689 HA ALA 89 HA ALA 89 -5.052 -9.672 -1.244 690 HB1 ALA 89 HB1 ALA 89 -2.747 -9.003 -3.117 691 HB2 ALA 89 HB2 ALA 89 -4.432 -8.522 -3.331 692 HB3 ALA 89 HB3 ALA 89 -3.984 -10.227 -3.411 693 H ALA 90 HN ALA 90 -1.503 -9.319 -1.006 694 HA ALA 90 HA ALA 90 -0.852 -12.044 -0.589 695 HB1 ALA 90 HB1 ALA 90 0.692 -9.568 0.266 696 HB2 ALA 90 HB2 ALA 90 0.801 -10.361 -1.307 697 HB3 ALA 90 HB3 ALA 90 1.349 -11.206 0.143 698 H LYS 91 HN LYS 91 -1.877 -9.502 1.599 699 HA LYS 91 HA LYS 91 -1.084 -10.602 4.092 700 HB2 LYS 91 HB2 LYS 91 -1.610 -8.232 3.879 701 HB3 LYS 91 HB1 LYS 91 -3.238 -8.591 3.325 702 HG2 LYS 91 HG2 LYS 91 -3.671 -9.598 5.638 703 HG3 LYS 91 HG1 LYS 91 -2.117 -8.912 6.127 704 HD2 LYS 91 HD2 LYS 91 -2.913 -6.659 5.631 705 HD3 LYS 91 HD1 LYS 91 -4.427 -7.297 4.985 706 HE2 LYS 91 HE2 LYS 91 -4.979 -8.172 7.246 707 HE3 LYS 91 HE1 LYS 91 -3.494 -7.446 7.868 708 HZ1 LYS 91 HZ1 LYS 91 -4.322 -5.289 7.201 709 HZ2 LYS 91 HZ2 LYS 91 -5.397 -6.042 8.269 710 HZ3 LYS 91 HZ3 LYS 91 -5.745 -5.987 6.616 711 H GLY 92 HN GLY 92 -4.020 -10.852 2.143 712 HA2 GLY 92 HA2 GLY 92 -5.857 -11.881 3.949 713 HA3 GLY 92 HA1 GLY 92 -5.886 -12.172 2.219 714 H ALA 93 HN ALA 93 -3.172 -13.549 2.589 715 HA ALA 93 HA ALA 93 -3.978 -16.055 3.952 716 HB1 ALA 93 HB1 ALA 93 -3.148 -17.414 2.074 717 HB2 ALA 93 HB2 ALA 93 -2.803 -15.954 1.144 718 HB3 ALA 93 HB3 ALA 93 -4.467 -16.369 1.556 719 H LEU 94 HN LEU 94 -1.796 -13.611 3.788 720 HA LEU 94 HA LEU 94 0.302 -13.188 4.511 721 HB2 LEU 94 HB2 LEU 94 -0.105 -15.776 6.051 722 HB3 LEU 94 HB1 LEU 94 1.214 -14.652 6.348 723 HG LEU 94 HG LEU 94 -1.754 -14.062 6.758 724 HD11 LEU 94 HD11 LEU 94 -1.224 -13.992 9.159 725 HD12 LEU 94 HD12 LEU 94 0.443 -14.468 8.823 726 HD13 LEU 94 HD13 LEU 94 -0.883 -15.578 8.467 727 HD21 LEU 94 HD21 LEU 94 0.642 -12.258 7.285 728 HD22 LEU 94 HD22 LEU 94 -1.028 -11.914 7.743 729 HD23 LEU 94 HD23 LEU 94 -0.591 -12.030 6.043 730 H GLU 95 HN GLU 95 0.139 -14.237 2.050 731 HA GLU 95 HA GLU 95 1.883 -16.431 1.501 732 HB2 GLU 95 HB2 GLU 95 0.710 -14.275 -0.312 733 HB3 GLU 95 HB1 GLU 95 1.591 -15.691 -0.884 734 HG2 GLU 95 HG2 GLU 95 -1.011 -15.771 0.677 735 HG3 GLU 95 HG1 GLU 95 -0.871 -15.911 -1.075 736 H HIS 96 HN HIS 96 3.995 -16.206 2.003 737 HA HIS 96 HA HIS 96 5.545 -13.833 1.501 738 HB2 HIS 96 HB2 HIS 96 6.154 -15.552 3.256 739 HB3 HIS 96 HB1 HIS 96 6.521 -16.696 1.966 740 HD1 HIS 96 HD1 HIS 96 7.846 -13.608 3.658 741 HD2 HIS 96 HD2 HIS 96 8.978 -16.265 0.676 742 HE1 HIS 96 HE1 HIS 96 10.270 -13.112 3.195 743 HE2 HIS 96 HE2 HIS 96 10.975 -14.881 1.550 744 H HIS 97 HN HIS 97 5.167 -13.269 -0.604 745 HA HIS 97 HA HIS 97 4.978 -15.019 -2.819 746 HB2 HIS 97 HB2 HIS 97 4.923 -12.976 -4.211 747 HB3 HIS 97 HB1 HIS 97 3.890 -12.807 -2.797 748 HD1 HIS 97 HD1 HIS 97 7.014 -11.445 -4.360 749 HD2 HIS 97 HD2 HIS 97 4.682 -10.814 -0.983 750 HE1 HIS 97 HE1 HIS 97 7.857 -9.303 -3.362 751 HE2 HIS 97 HE2 HIS 97 6.295 -8.845 -1.430 752 H HIS 98 HN HIS 98 7.773 -13.575 -1.321 753 HA HIS 98 HA HIS 98 9.561 -14.116 -3.576 754 HB2 HIS 98 HB2 HIS 98 9.967 -12.114 -2.162 755 HB3 HIS 98 HB1 HIS 98 10.128 -13.126 -0.733 756 HD1 HIS 98 HD1 HIS 98 11.863 -12.847 -4.130 757 HD2 HIS 98 HD2 HIS 98 12.737 -13.558 -0.134 758 HE1 HIS 98 HE1 HIS 98 14.357 -13.121 -4.028 759 HE2 HIS 98 HE2 HIS 98 14.836 -13.722 -1.631 760 H HIS 99 HN HIS 99 8.626 -16.416 -3.441 761 HA HIS 99 HA HIS 99 10.561 -18.230 -2.407 762 HB2 HIS 99 HB2 HIS 99 9.317 -17.812 -0.273 763 HB3 HIS 99 HB1 HIS 99 7.816 -18.301 -1.046 764 HD1 HIS 99 HD1 HIS 99 7.178 -20.611 -0.444 765 HD2 HIS 99 HD2 HIS 99 11.305 -20.139 -0.455 766 HE1 HIS 99 HE1 HIS 99 8.107 -22.821 0.308 767 HE2 HIS 99 HE2 HIS 99 10.602 -22.551 0.154 768 H HIS 100 HN HIS 100 10.488 -18.606 -4.671 769 HA HIS 100 HA HIS 100 8.149 -19.928 -5.849 770 HB2 HIS 100 HB2 HIS 100 9.409 -18.168 -7.136 771 HB3 HIS 100 HB1 HIS 100 10.840 -19.187 -7.108 772 HD1 HIS 100 HD1 HIS 100 10.918 -21.139 -8.787 773 HD2 HIS 100 HD2 HIS 100 7.375 -18.975 -8.915 774 HE1 HIS 100 HE1 HIS 100 9.756 -21.887 -10.881 775 HE2 HIS 100 HE2 HIS 100 7.533 -20.715 -10.829 776 H HIS 101 HN HIS 101 8.075 -22.124 -6.219 777 HA HIS 101 HA HIS 101 10.482 -23.739 -5.597 778 HB2 HIS 101 HB2 HIS 101 8.833 -25.688 -5.382 779 HB3 HIS 101 HB1 HIS 101 8.741 -24.455 -4.137 780 HD1 HIS 101 HD1 HIS 101 6.868 -25.559 -7.254 781 HD2 HIS 101 HD2 HIS 101 6.246 -23.403 -3.764 782 HE1 HIS 101 HE1 HIS 101 4.401 -25.098 -7.182 783 HE2 HIS 101 HE2 HIS 101 4.044 -23.831 -5.034 784 H282 PNS 102 H282 PNS 102 15.750 11.981 3.324 785 H281 PNS 102 H281 PNS 102 17.077 10.841 3.082 786 H303 PNS 102 H303 PNS 102 16.984 14.105 3.094 787 H302 PNS 102 H302 PNS 102 18.472 13.162 3.131 788 H301 PNS 102 H301 PNS 102 18.204 14.321 1.831 789 H313 PNS 102 H313 PNS 102 15.490 12.379 0.104 790 H312 PNS 102 H312 PNS 102 15.207 13.621 1.324 791 H311 PNS 102 H311 PNS 102 16.426 13.876 0.070 792 H32 PNS 102 H32 PNS 102 17.575 10.970 0.142 793 H33 PNS 102 H33 PNS 102 19.660 12.554 -0.174 794 H36 PNS 102 H36 PNS 102 20.242 12.754 1.682 795 H372 PNS 102 H372 PNS 102 21.768 12.157 3.326 796 H371 PNS 102 H371 PNS 102 21.037 10.563 3.458 797 H382 PNS 102 H382 PNS 102 22.737 11.373 1.078 798 H381 PNS 102 H381 PNS 102 23.453 10.728 2.548 799 H41 PNS 102 H41 PNS 102 20.908 9.927 0.132 800 H422 PNS 102 H422 PNS 102 21.837 7.539 -0.825 801 H421 PNS 102 H421 PNS 102 20.939 7.087 0.634 802 H431 PNS 102 H431 PNS 102 18.913 8.077 -0.226 803 H432 PNS 102 H432 PNS 102 19.568 7.006 -1.472 804 H44 PNS 102 H44 PNS 102 19.914 8.786 -3.314
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