NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
602788 | 5jtk | 30079 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H MET 1 H MET 1 1.808 0.000 0.855 2 HA MET 1 HA MET 1 1.391 -0.016 -2.062 3 HB2 MET 1 HB2 MET 1 3.653 1.274 -0.527 4 HB3 MET 1 HB3 MET 1 3.486 1.249 -2.277 5 HG2 MET 1 HG2 MET 1 1.256 2.378 -0.682 6 HG3 MET 1 HG3 MET 1 2.739 3.319 -0.823 7 HE1 MET 1 HE1 MET 1 1.356 5.425 -3.442 8 HE2 MET 1 HE2 MET 1 1.920 5.194 -1.787 9 HE3 MET 1 HE3 MET 1 3.043 5.012 -3.135 10 H THR 2 H THR 2 3.609 -0.960 0.546 11 HA THR 2 HA THR 2 4.303 -3.350 -1.009 12 HB THR 2 HB THR 2 6.215 -2.083 -1.452 13 HG1 THR 2 HG1 THR 2 7.483 -3.590 -0.698 14 HG21 THR 2 HG21 THR 2 6.343 -0.153 -0.298 15 HG22 THR 2 HG22 THR 2 7.338 -1.081 0.824 16 HG23 THR 2 HG23 THR 2 5.618 -0.858 1.147 17 HA PRO 3 HA PRO 3 3.589 -5.464 2.782 18 HB2 PRO 3 HB2 PRO 3 5.078 -7.692 2.348 19 HB3 PRO 3 HB3 PRO 3 3.540 -7.391 1.532 20 HG2 PRO 3 HG2 PRO 3 6.330 -6.969 0.531 21 HG3 PRO 3 HG3 PRO 3 4.931 -7.661 -0.312 22 HD2 PRO 3 HD2 PRO 3 5.741 -5.104 -0.688 23 HD3 PRO 3 HD3 PRO 3 4.037 -5.591 -0.789 24 H ILE 4 H ILE 4 6.913 -5.020 1.684 25 HA ILE 4 HA ILE 4 8.332 -5.819 3.908 26 HB ILE 4 HB ILE 4 9.330 -5.028 1.762 27 HG12 ILE 4 HG12 ILE 4 10.765 -3.359 3.694 28 HG13 ILE 4 HG13 ILE 4 10.365 -4.956 4.318 29 HG21 ILE 4 HG21 ILE 4 9.314 -2.874 1.078 30 HG22 ILE 4 HG22 ILE 4 7.856 -2.810 2.066 31 HG23 ILE 4 HG23 ILE 4 9.390 -2.237 2.721 32 HD11 ILE 4 HD11 ILE 4 11.511 -4.903 1.612 33 HD12 ILE 4 HD12 ILE 4 12.586 -4.400 2.917 34 HD13 ILE 4 HD13 ILE 4 11.826 -5.990 2.965 35 H GLU 5 H GLU 5 6.451 -2.907 3.430 36 HA GLU 5 HA GLU 5 7.442 -1.585 5.779 37 HB2 GLU 5 HB2 GLU 5 5.475 -1.016 3.657 38 HB3 GLU 5 HB3 GLU 5 5.099 -0.317 5.226 39 HG2 GLU 5 HG2 GLU 5 7.506 0.562 5.193 40 HG3 GLU 5 HG3 GLU 5 7.473 0.180 3.472 41 H TYR 6 H TYR 6 4.428 -3.259 4.916 42 HA TYR 6 HA TYR 6 3.026 -2.924 7.272 43 HB2 TYR 6 HB2 TYR 6 3.079 -5.212 5.310 44 HB3 TYR 6 HB3 TYR 6 1.977 -5.181 6.682 45 HD1 TYR 6 HD1 TYR 6 1.748 -4.934 3.425 46 HD2 TYR 6 HD2 TYR 6 1.163 -2.367 6.767 47 HE1 TYR 6 HE1 TYR 6 0.158 -3.594 2.110 48 HE2 TYR 6 HE2 TYR 6 -0.429 -1.021 5.462 49 HH TYR 6 HH TYR 6 -1.269 -0.635 3.416 50 H ILE 7 H ILE 7 5.324 -5.507 6.447 51 HA ILE 7 HA ILE 7 5.133 -6.779 8.995 52 HB ILE 7 HB ILE 7 7.091 -8.084 8.281 53 HG12 ILE 7 HG12 ILE 7 7.526 -7.486 5.650 54 HG13 ILE 7 HG13 ILE 7 7.294 -5.882 6.336 55 HG21 ILE 7 HG21 ILE 7 4.727 -7.752 6.497 56 HG22 ILE 7 HG22 ILE 7 6.015 -8.859 6.023 57 HG23 ILE 7 HG23 ILE 7 5.164 -9.098 7.549 58 HD11 ILE 7 HD11 ILE 7 9.595 -7.533 6.410 59 HD12 ILE 7 HD12 ILE 7 9.380 -5.905 7.055 60 HD13 ILE 7 HD13 ILE 7 9.019 -7.308 8.062 61 H ASP 8 H ASP 8 7.261 -4.374 7.573 62 HA ASP 8 HA ASP 8 9.284 -4.398 9.517 63 HB2 ASP 8 HB2 ASP 8 9.671 -3.254 7.448 64 HB3 ASP 8 HB3 ASP 8 8.285 -2.198 7.705 65 H ARG 9 H ARG 9 6.164 -2.788 9.406 66 HA ARG 9 HA ARG 9 6.555 -1.053 11.594 67 HB2 ARG 9 HB2 ARG 9 4.641 -1.201 9.782 68 HB3 ARG 9 HB3 ARG 9 3.858 -2.194 11.004 69 HG2 ARG 9 HG2 ARG 9 4.031 -0.363 12.610 70 HG3 ARG 9 HG3 ARG 9 4.821 0.633 11.386 71 HD2 ARG 9 HD2 ARG 9 2.711 0.136 9.971 72 HD3 ARG 9 HD3 ARG 9 1.983 -0.313 11.513 73 HE ARG 9 HE ARG 9 3.225 2.227 11.693 74 HH11 ARG 9 HH11 ARG 9 0.413 0.621 10.413 75 HH12 ARG 9 HH12 ARG 9 -0.585 2.036 10.477 76 HH21 ARG 9 HH21 ARG 9 1.921 4.097 11.781 77 HH22 ARG 9 HH22 ARG 9 0.274 4.013 11.254 78 H ALA 10 H ALA 10 4.942 -4.226 11.413 79 HA ALA 10 HA ALA 10 4.290 -4.506 14.093 80 HB1 ALA 10 HB1 ALA 10 3.738 -5.999 12.039 81 HB2 ALA 10 HB2 ALA 10 5.195 -6.874 12.511 82 HB3 ALA 10 HB3 ALA 10 3.849 -6.727 13.641 83 H LEU 11 H LEU 11 7.333 -5.161 12.439 84 HA LEU 11 HA LEU 11 8.683 -6.570 14.402 85 HB2 LEU 11 HB2 LEU 11 9.613 -6.265 12.207 86 HB3 LEU 11 HB3 LEU 11 9.713 -4.522 12.448 87 HG LEU 11 HG LEU 11 11.264 -5.441 14.491 88 HD11 LEU 11 HD11 LEU 11 11.916 -7.212 12.150 89 HD12 LEU 11 HD12 LEU 11 10.980 -7.759 13.540 90 HD13 LEU 11 HD13 LEU 11 12.643 -7.214 13.757 91 HD21 LEU 11 HD21 LEU 11 12.472 -3.894 13.449 92 HD22 LEU 11 HD22 LEU 11 11.610 -4.155 11.932 93 HD23 LEU 11 HD23 LEU 11 13.009 -5.152 12.335 94 H ALA 12 H ALA 12 8.086 -3.117 14.137 95 HA ALA 12 HA ALA 12 9.818 -2.375 16.285 96 HB1 ALA 12 HB1 ALA 12 7.541 -0.867 15.004 97 HB2 ALA 12 HB2 ALA 12 8.719 -0.183 16.124 98 HB3 ALA 12 HB3 ALA 12 9.243 -0.779 14.549 99 H LEU 13 H LEU 13 6.332 -2.939 15.981 100 HA LEU 13 HA LEU 13 5.667 -2.220 18.631 101 HB2 LEU 13 HB2 LEU 13 4.288 -4.020 16.649 102 HB3 LEU 13 HB3 LEU 13 3.591 -3.550 18.198 103 HG LEU 13 HG LEU 13 4.336 -1.615 16.007 104 HD11 LEU 13 HD11 LEU 13 2.520 -2.397 14.971 105 HD12 LEU 13 HD12 LEU 13 1.609 -1.581 16.241 106 HD13 LEU 13 HD13 LEU 13 1.984 -3.298 16.390 107 HD21 LEU 13 HD21 LEU 13 2.353 -0.767 17.925 108 HD22 LEU 13 HD22 LEU 13 3.862 0.012 17.446 109 HD23 LEU 13 HD23 LEU 13 3.864 -1.207 18.721 110 H VAL 14 H VAL 14 6.626 -5.264 17.139 111 HA VAL 14 HA VAL 14 6.056 -6.973 19.290 112 HB VAL 14 HB VAL 14 8.225 -7.231 17.202 113 HG11 VAL 14 HG11 VAL 14 8.897 -9.055 18.272 114 HG12 VAL 14 HG12 VAL 14 7.677 -8.798 19.520 115 HG13 VAL 14 HG13 VAL 14 7.285 -9.746 18.085 116 HG21 VAL 14 HG21 VAL 14 5.754 -8.839 17.066 117 HG22 VAL 14 HG22 VAL 14 5.580 -7.118 16.722 118 HG23 VAL 14 HG23 VAL 14 6.699 -8.098 15.775 119 H VAL 15 H VAL 15 8.967 -5.121 18.489 120 HA VAL 15 HA VAL 15 10.724 -6.095 20.379 121 HB VAL 15 HB VAL 15 10.438 -3.224 19.484 122 HG11 VAL 15 HG11 VAL 15 11.831 -3.086 21.329 123 HG12 VAL 15 HG12 VAL 15 12.549 -4.671 21.034 124 HG13 VAL 15 HG13 VAL 15 12.976 -3.302 20.005 125 HG21 VAL 15 HG21 VAL 15 11.306 -3.830 17.529 126 HG22 VAL 15 HG22 VAL 15 12.630 -4.679 18.325 127 HG23 VAL 15 HG23 VAL 15 11.108 -5.513 18.016 128 H ASP 16 H ASP 16 8.332 -3.497 20.764 129 HA ASP 16 HA ASP 16 8.938 -2.779 23.387 130 HB2 ASP 16 HB2 ASP 16 7.178 -1.869 21.571 131 HB3 ASP 16 HB3 ASP 16 6.075 -2.776 22.602 132 H ARG 17 H ARG 17 6.374 -5.003 22.284 133 HA ARG 17 HA ARG 17 5.551 -5.870 24.794 134 HB2 ARG 17 HB2 ARG 17 5.440 -7.056 22.049 135 HB3 ARG 17 HB3 ARG 17 4.964 -8.039 23.427 136 HG2 ARG 17 HG2 ARG 17 2.948 -7.155 22.831 137 HG3 ARG 17 HG3 ARG 17 3.485 -5.952 24.006 138 HD2 ARG 17 HD2 ARG 17 4.286 -5.539 21.184 139 HD3 ARG 17 HD3 ARG 17 2.582 -5.308 21.575 140 HE ARG 17 HE ARG 17 4.398 -3.939 23.343 141 HH11 ARG 17 HH11 ARG 17 2.583 -3.765 20.378 142 HH12 ARG 17 HH12 ARG 17 2.538 -2.033 20.355 143 HH21 ARG 17 HH21 ARG 17 4.346 -1.659 23.324 144 HH22 ARG 17 HH22 ARG 17 3.542 -0.836 22.030 145 H LEU 18 H LEU 18 8.028 -7.233 22.647 146 HA LEU 18 HA LEU 18 8.713 -9.489 24.080 147 HB2 LEU 18 HB2 LEU 18 10.203 -7.655 22.271 148 HB3 LEU 18 HB3 LEU 18 11.111 -8.870 23.168 149 HG LEU 18 HG LEU 18 8.750 -9.699 21.532 150 HD11 LEU 18 HD11 LEU 18 10.380 -10.089 19.653 151 HD12 LEU 18 HD12 LEU 18 11.490 -9.012 20.499 152 HD13 LEU 18 HD13 LEU 18 9.931 -8.408 19.939 153 HD21 LEU 18 HD21 LEU 18 11.375 -11.046 22.157 154 HD22 LEU 18 HD22 LEU 18 9.969 -11.771 21.376 155 HD23 LEU 18 HD23 LEU 18 9.882 -11.277 23.067 156 H ALA 19 H ALA 19 9.742 -6.151 24.586 157 HA ALA 19 HA ALA 19 11.740 -6.557 26.477 158 HB1 ALA 19 HB1 ALA 19 11.026 -4.389 25.337 159 HB2 ALA 19 HB2 ALA 19 9.819 -4.254 26.617 160 HB3 ALA 19 HB3 ALA 19 11.535 -4.287 27.023 161 H ARG 20 H ARG 20 8.235 -6.297 26.911 162 HA ARG 20 HA ARG 20 8.322 -6.435 29.755 163 HB2 ARG 20 HB2 ARG 20 6.401 -5.789 27.920 164 HB3 ARG 20 HB3 ARG 20 5.865 -7.379 28.445 165 HG2 ARG 20 HG2 ARG 20 6.437 -5.049 30.264 166 HG3 ARG 20 HG3 ARG 20 4.836 -5.571 29.736 167 HD2 ARG 20 HD2 ARG 20 4.829 -6.811 31.599 168 HD3 ARG 20 HD3 ARG 20 5.905 -7.889 30.712 169 HE ARG 20 HE ARG 20 7.628 -7.233 32.070 170 HH11 ARG 20 HH11 ARG 20 4.979 -5.002 32.420 171 HH12 ARG 20 HH12 ARG 20 5.692 -4.161 33.757 172 HH21 ARG 20 HH21 ARG 20 8.578 -6.134 33.830 173 HH22 ARG 20 HH22 ARG 20 7.740 -4.806 34.557 174 H TYR 21 H TYR 21 7.999 -8.802 27.177 175 HA TYR 21 HA TYR 21 8.177 -10.932 29.205 176 HB2 TYR 21 HB2 TYR 21 6.735 -11.105 26.552 177 HB3 TYR 21 HB3 TYR 21 6.827 -12.368 27.775 178 HD1 TYR 21 HD1 TYR 21 5.247 -9.219 26.814 179 HD2 TYR 21 HD2 TYR 21 5.541 -12.189 29.847 180 HE1 TYR 21 HE1 TYR 21 3.199 -8.346 27.859 181 HE2 TYR 21 HE2 TYR 21 3.493 -11.325 30.900 182 HH TYR 21 HH TYR 21 1.791 -8.506 29.567 183 HA PRO 22 HA PRO 22 11.833 -11.119 26.336 184 HB2 PRO 22 HB2 PRO 22 13.670 -11.419 28.313 185 HB3 PRO 22 HB3 PRO 22 13.115 -9.838 27.748 186 HG2 PRO 22 HG2 PRO 22 12.257 -11.398 30.155 187 HG3 PRO 22 HG3 PRO 22 12.601 -9.665 30.009 188 HD2 PRO 22 HD2 PRO 22 10.080 -10.655 30.011 189 HD3 PRO 22 HD3 PRO 22 10.535 -9.203 29.096 190 H GLY 23 H GLY 23 10.723 -13.181 25.816 191 HA2 GLY 23 HA2 GLY 23 12.005 -15.401 25.665 192 HA3 GLY 23 HA3 GLY 23 11.727 -15.454 27.400 193 H TYR 24 H TYR 24 9.479 -14.320 24.924 194 HA TYR 24 HA TYR 24 7.527 -16.266 25.891 195 HB2 TYR 24 HB2 TYR 24 7.303 -13.602 25.219 196 HB3 TYR 24 HB3 TYR 24 6.643 -14.413 23.803 197 HD1 TYR 24 HD1 TYR 24 4.349 -14.554 23.825 198 HD2 TYR 24 HD2 TYR 24 6.447 -14.922 27.508 199 HE1 TYR 24 HE1 TYR 24 2.214 -14.877 25.002 200 HE2 TYR 24 HE2 TYR 24 4.318 -15.248 28.695 201 HH TYR 24 HH TYR 24 2.091 -15.201 28.529 202 H GLU 25 H GLU 25 6.966 -18.023 24.781 203 HA GLU 25 HA GLU 25 8.330 -18.795 22.436 204 HB2 GLU 25 HB2 GLU 25 5.761 -19.963 23.515 205 HB3 GLU 25 HB3 GLU 25 6.914 -20.754 22.449 206 HG2 GLU 25 HG2 GLU 25 8.606 -20.594 24.264 207 HG3 GLU 25 HG3 GLU 25 7.340 -19.972 25.322 208 H VAL 26 H VAL 26 5.150 -17.395 22.996 209 HA VAL 26 HA VAL 26 4.209 -17.710 20.328 210 HB VAL 26 HB VAL 26 3.279 -15.664 22.343 211 HG11 VAL 26 HG11 VAL 26 1.794 -17.003 20.086 212 HG12 VAL 26 HG12 VAL 26 1.198 -15.716 21.136 213 HG13 VAL 26 HG13 VAL 26 2.508 -15.393 20.000 214 HG21 VAL 26 HG21 VAL 26 1.485 -17.531 22.708 215 HG22 VAL 26 HG22 VAL 26 2.766 -18.598 22.134 216 HG23 VAL 26 HG23 VAL 26 3.025 -17.601 23.565 217 H LEU 27 H LEU 27 5.959 -15.188 22.037 218 HA LEU 27 HA LEU 27 5.698 -13.185 20.051 219 HB2 LEU 27 HB2 LEU 27 7.665 -13.614 22.282 220 HB3 LEU 27 HB3 LEU 27 7.753 -12.226 21.200 221 HG LEU 27 HG LEU 27 5.407 -12.878 22.982 222 HD11 LEU 27 HD11 LEU 27 7.910 -11.798 23.667 223 HD12 LEU 27 HD12 LEU 27 6.447 -11.857 24.650 224 HD13 LEU 27 HD13 LEU 27 6.771 -10.451 23.635 225 HD21 LEU 27 HD21 LEU 27 4.982 -10.377 22.423 226 HD22 LEU 27 HD22 LEU 27 4.517 -11.619 21.261 227 HD23 LEU 27 HD23 LEU 27 6.004 -10.701 21.023 228 H LEU 28 H LEU 28 8.373 -15.408 20.824 229 HA LEU 28 HA LEU 28 10.005 -14.634 18.656 230 HB2 LEU 28 HB2 LEU 28 11.188 -16.779 19.090 231 HB3 LEU 28 HB3 LEU 28 10.996 -15.749 20.507 232 HG LEU 28 HG LEU 28 8.860 -17.315 20.847 233 HD11 LEU 28 HD11 LEU 28 10.558 -19.521 20.073 234 HD12 LEU 28 HD12 LEU 28 10.093 -18.540 18.684 235 HD13 LEU 28 HD13 LEU 28 8.852 -19.234 19.728 236 HD21 LEU 28 HD21 LEU 28 11.716 -17.889 21.612 237 HD22 LEU 28 HD22 LEU 28 10.329 -18.739 22.295 238 HD23 LEU 28 HD23 LEU 28 10.506 -17.001 22.538 239 H SER 29 H SER 29 7.555 -17.142 19.029 240 HA SER 29 HA SER 29 8.010 -18.534 16.645 241 HB2 SER 29 HB2 SER 29 6.568 -19.587 18.174 242 HB3 SER 29 HB3 SER 29 5.569 -18.146 18.364 243 HG SER 29 HG SER 29 5.731 -19.841 16.095 244 H ALA 30 H ALA 30 6.140 -15.626 17.311 245 HA ALA 30 HA ALA 30 5.138 -15.468 14.600 246 HB1 ALA 30 HB1 ALA 30 4.251 -13.234 15.423 247 HB2 ALA 30 HB2 ALA 30 3.629 -14.678 16.222 248 HB3 ALA 30 HB3 ALA 30 4.863 -13.697 17.011 249 H GLU 31 H GLU 31 7.640 -13.968 16.564 250 HA GLU 31 HA GLU 31 8.310 -11.882 14.788 251 HB2 GLU 31 HB2 GLU 31 9.022 -11.918 17.139 252 HB3 GLU 31 HB3 GLU 31 10.052 -13.304 16.809 253 HG2 GLU 31 HG2 GLU 31 11.295 -11.877 15.171 254 HG3 GLU 31 HG3 GLU 31 10.362 -10.504 15.763 255 H LYS 32 H LYS 32 9.827 -15.066 15.296 256 HA LYS 32 HA LYS 32 11.802 -14.939 13.382 257 HB2 LYS 32 HB2 LYS 32 10.178 -17.206 14.481 258 HB3 LYS 32 HB3 LYS 32 11.320 -17.503 13.177 259 HG2 LYS 32 HG2 LYS 32 13.156 -16.975 14.493 260 HG3 LYS 32 HG3 LYS 32 12.183 -16.080 15.662 261 HD2 LYS 32 HD2 LYS 32 12.763 -18.112 16.720 262 HD3 LYS 32 HD3 LYS 32 11.077 -18.290 16.226 263 HE2 LYS 32 HE2 LYS 32 11.749 -19.576 14.289 264 HE3 LYS 32 HE3 LYS 32 13.450 -19.321 14.674 265 HZ1 LYS 32 HZ1 LYS 32 13.115 -20.553 16.737 266 HZ2 LYS 32 HZ2 LYS 32 12.729 -21.499 15.389 267 HZ3 LYS 32 HZ3 LYS 32 11.496 -20.824 16.330 268 H GLN 33 H GLN 33 8.371 -15.493 12.959 269 HA GLN 33 HA GLN 33 8.420 -16.447 10.316 270 HB2 GLN 33 HB2 GLN 33 6.421 -15.420 12.185 271 HB3 GLN 33 HB3 GLN 33 6.056 -15.032 10.508 272 HG2 GLN 33 HG2 GLN 33 6.505 -17.766 11.680 273 HG3 GLN 33 HG3 GLN 33 4.986 -17.092 11.094 274 HE21 GLN 33 HE21 GLN 33 6.044 -19.509 10.199 275 HE22 GLN 33 HE22 GLN 33 6.467 -19.344 8.533 276 H LEU 34 H LEU 34 7.956 -13.146 11.568 277 HA LEU 34 HA LEU 34 7.654 -11.803 9.174 278 HB2 LEU 34 HB2 LEU 34 7.963 -9.878 10.354 279 HB3 LEU 34 HB3 LEU 34 7.634 -11.001 11.671 280 HG LEU 34 HG LEU 34 10.291 -11.183 11.653 281 HD11 LEU 34 HD11 LEU 34 10.320 -8.316 11.246 282 HD12 LEU 34 HD12 LEU 34 9.897 -9.190 9.774 283 HD13 LEU 34 HD13 LEU 34 11.401 -9.559 10.617 284 HD21 LEU 34 HD21 LEU 34 9.111 -8.753 12.929 285 HD22 LEU 34 HD22 LEU 34 10.268 -9.915 13.580 286 HD23 LEU 34 HD23 LEU 34 8.567 -10.357 13.420 287 H GLN 35 H GLN 35 10.540 -13.122 10.610 288 HA GLN 35 HA GLN 35 12.428 -11.696 9.051 289 HB2 GLN 35 HB2 GLN 35 12.729 -14.428 10.307 290 HB3 GLN 35 HB3 GLN 35 14.033 -13.366 9.790 291 HG2 GLN 35 HG2 GLN 35 12.051 -12.504 11.862 292 HG3 GLN 35 HG3 GLN 35 13.463 -13.473 12.281 293 HE21 GLN 35 HE21 GLN 35 12.396 -10.482 12.410 294 HE22 GLN 35 HE22 GLN 35 13.851 -9.588 12.151 295 H TYR 36 H TYR 36 10.652 -14.689 8.568 296 HA TYR 36 HA TYR 36 12.105 -15.533 6.271 297 HB2 TYR 36 HB2 TYR 36 10.928 -17.232 7.402 298 HB3 TYR 36 HB3 TYR 36 9.440 -16.294 7.445 299 HD1 TYR 36 HD1 TYR 36 11.690 -17.014 4.565 300 HD2 TYR 36 HD2 TYR 36 7.870 -17.614 6.340 301 HE1 TYR 36 HE1 TYR 36 10.924 -18.145 2.519 302 HE2 TYR 36 HE2 TYR 36 7.094 -18.747 4.300 303 HH TYR 36 HH TYR 36 9.259 -19.635 1.752 304 H ILE 37 H ILE 37 8.849 -14.118 6.622 305 HA ILE 37 HA ILE 37 8.207 -13.834 3.959 306 HB ILE 37 HB ILE 37 7.531 -11.908 6.186 307 HG12 ILE 37 HG12 ILE 37 5.368 -13.608 5.428 308 HG13 ILE 37 HG13 ILE 37 6.776 -14.618 5.735 309 HG21 ILE 37 HG21 ILE 37 6.790 -12.030 3.352 310 HG22 ILE 37 HG22 ILE 37 5.432 -11.855 4.463 311 HG23 ILE 37 HG23 ILE 37 6.744 -10.677 4.482 312 HD11 ILE 37 HD11 ILE 37 6.968 -13.188 7.904 313 HD12 ILE 37 HD12 ILE 37 5.262 -12.861 7.596 314 HD13 ILE 37 HD13 ILE 37 5.818 -14.521 7.809 315 H ARG 38 H ARG 38 10.283 -11.815 5.947 316 HA ARG 38 HA ARG 38 10.545 -9.736 3.989 317 HB2 ARG 38 HB2 ARG 38 10.849 -9.159 6.302 318 HB3 ARG 38 HB3 ARG 38 12.100 -10.380 6.495 319 HG2 ARG 38 HG2 ARG 38 13.656 -8.913 5.938 320 HG3 ARG 38 HG3 ARG 38 12.860 -8.616 4.392 321 HD2 ARG 38 HD2 ARG 38 11.428 -6.949 5.423 322 HD3 ARG 38 HD3 ARG 38 12.141 -7.284 7.000 323 HE ARG 38 HE ARG 38 14.186 -6.566 5.225 324 HH11 ARG 38 HH11 ARG 38 11.436 -5.161 6.833 325 HH12 ARG 38 HH12 ARG 38 12.113 -3.567 6.880 326 HH21 ARG 38 HH21 ARG 38 15.089 -4.472 5.282 327 HH22 ARG 38 HH22 ARG 38 14.191 -3.176 5.997 328 H SER 39 H SER 39 12.577 -12.435 5.080 329 HA SER 39 HA SER 39 14.819 -11.946 3.516 330 HB2 SER 39 HB2 SER 39 13.642 -14.602 4.368 331 HB3 SER 39 HB3 SER 39 15.266 -14.387 3.716 332 HG SER 39 HG SER 39 15.885 -13.801 5.626 333 H VAL 40 H VAL 40 12.084 -14.105 2.751 334 HA VAL 40 HA VAL 40 12.883 -14.764 0.158 335 HB VAL 40 HB VAL 40 11.111 -15.974 1.337 336 HG11 VAL 40 HG11 VAL 40 10.103 -13.798 2.254 337 HG12 VAL 40 HG12 VAL 40 9.223 -13.725 0.726 338 HG13 VAL 40 HG13 VAL 40 8.999 -15.099 1.809 339 HG21 VAL 40 HG21 VAL 40 10.235 -14.743 -1.273 340 HG22 VAL 40 HG22 VAL 40 11.217 -16.193 -1.069 341 HG23 VAL 40 HG23 VAL 40 9.531 -16.190 -0.552 342 H LEU 41 H LEU 41 11.097 -11.997 1.378 343 HA LEU 41 HA LEU 41 10.029 -10.958 -0.942 344 HB2 LEU 41 HB2 LEU 41 10.179 -10.130 1.621 345 HB3 LEU 41 HB3 LEU 41 11.300 -9.002 0.863 346 HG LEU 41 HG LEU 41 8.442 -9.393 -0.016 347 HD11 LEU 41 HD11 LEU 41 8.316 -7.012 1.044 348 HD12 LEU 41 HD12 LEU 41 9.673 -7.586 2.012 349 HD13 LEU 41 HD13 LEU 41 8.135 -8.446 2.055 350 HD21 LEU 41 HD21 LEU 41 9.558 -8.491 -1.831 351 HD22 LEU 41 HD22 LEU 41 10.674 -7.571 -0.821 352 HD23 LEU 41 HD23 LEU 41 8.996 -7.051 -0.982 353 H LEU 42 H LEU 42 13.343 -10.819 0.220 354 HA LEU 42 HA LEU 42 14.131 -9.208 -2.093 355 HB2 LEU 42 HB2 LEU 42 15.459 -9.958 0.482 356 HB3 LEU 42 HB3 LEU 42 16.417 -9.386 -0.882 357 HG LEU 42 HG LEU 42 15.991 -7.569 0.650 358 HD11 LEU 42 HD11 LEU 42 15.735 -7.416 -1.994 359 HD12 LEU 42 HD12 LEU 42 15.525 -6.019 -0.938 360 HD13 LEU 42 HD13 LEU 42 14.114 -6.891 -1.537 361 HD21 LEU 42 HD21 LEU 42 13.886 -6.893 1.382 362 HD22 LEU 42 HD22 LEU 42 13.811 -8.653 1.474 363 HD23 LEU 42 HD23 LEU 42 13.049 -7.806 0.126 364 H ASP 43 H ASP 43 14.600 -12.377 -0.643 365 HA ASP 43 HA ASP 43 16.586 -13.256 -2.483 366 HB2 ASP 43 HB2 ASP 43 14.695 -14.970 -0.862 367 HB3 ASP 43 HB3 ASP 43 16.249 -15.450 -1.537 368 H ARG 44 H ARG 44 16.375 -14.719 -4.217 369 HA ARG 44 HA ARG 44 13.676 -14.820 -5.396 370 HB2 ARG 44 HB2 ARG 44 16.325 -14.582 -6.835 371 HB3 ARG 44 HB3 ARG 44 14.754 -14.729 -7.610 372 HG2 ARG 44 HG2 ARG 44 15.636 -12.455 -5.843 373 HG3 ARG 44 HG3 ARG 44 15.547 -12.425 -7.606 374 HD2 ARG 44 HD2 ARG 44 13.147 -12.780 -7.514 375 HD3 ARG 44 HD3 ARG 44 13.213 -12.903 -5.756 376 HE ARG 44 HE ARG 44 14.292 -10.433 -6.634 377 HH11 ARG 44 HH11 ARG 44 11.280 -12.116 -6.170 378 HH12 ARG 44 HH12 ARG 44 10.359 -10.670 -5.922 379 HH21 ARG 44 HH21 ARG 44 13.090 -8.521 -6.310 380 HH22 ARG 44 HH22 ARG 44 11.390 -8.625 -6.004 381 H SER 45 H SER 45 16.745 -16.476 -4.935 382 HA SER 45 HA SER 45 15.841 -18.878 -6.260 383 HB2 SER 45 HB2 SER 45 18.320 -18.378 -4.594 384 HB3 SER 45 HB3 SER 45 18.014 -19.809 -5.578 385 HG SER 45 HG SER 45 19.326 -18.032 -6.524 386 H LEU 46 H LEU 46 16.230 -17.709 -2.967 387 HA LEU 46 HA LEU 46 15.969 -20.046 -1.524 388 HB2 LEU 46 HB2 LEU 46 15.315 -17.203 -1.045 389 HB3 LEU 46 HB3 LEU 46 14.567 -18.375 0.037 390 HG LEU 46 HG LEU 46 16.921 -19.245 0.468 391 HD11 LEU 46 HD11 LEU 46 18.432 -17.000 0.110 392 HD12 LEU 46 HD12 LEU 46 17.474 -17.041 -1.370 393 HD13 LEU 46 HD13 LEU 46 18.468 -18.428 -0.925 394 HD21 LEU 46 HD21 LEU 46 17.094 -16.587 1.549 395 HD22 LEU 46 HD22 LEU 46 16.727 -18.108 2.365 396 HD23 LEU 46 HD23 LEU 46 15.431 -17.173 1.617 397 H ASP 47 H ASP 47 14.020 -20.722 -0.224 398 HA ASP 47 HA ASP 47 11.927 -21.452 -2.004 399 HB2 ASP 47 HB2 ASP 47 12.174 -21.732 0.997 400 HB3 ASP 47 HB3 ASP 47 10.880 -22.446 0.039 401 H ARG 48 H ARG 48 10.112 -20.413 -2.491 402 HA ARG 48 HA ARG 48 9.293 -18.164 -0.773 403 HB2 ARG 48 HB2 ARG 48 8.131 -17.355 -2.906 404 HB3 ARG 48 HB3 ARG 48 9.885 -17.240 -2.851 405 HG2 ARG 48 HG2 ARG 48 10.122 -18.581 -4.607 406 HG3 ARG 48 HG3 ARG 48 8.993 -19.768 -3.950 407 HD2 ARG 48 HD2 ARG 48 7.264 -18.970 -5.148 408 HD3 ARG 48 HD3 ARG 48 7.749 -17.292 -4.912 409 HE ARG 48 HE ARG 48 8.311 -18.927 -7.170 410 HH11 ARG 48 HH11 ARG 48 9.605 -16.366 -5.197 411 HH12 ARG 48 HH12 ARG 48 10.587 -15.709 -6.464 412 HH21 ARG 48 HH21 ARG 48 9.600 -18.071 -8.846 413 HH22 ARG 48 HH22 ARG 48 10.583 -16.679 -8.540 414 H SER 49 H SER 49 8.206 -20.964 -2.595 415 HA SER 49 HA SER 49 5.467 -20.710 -2.423 416 HB2 SER 49 HB2 SER 49 7.137 -23.223 -2.180 417 HB3 SER 49 HB3 SER 49 5.397 -23.203 -2.464 418 HG SER 49 HG SER 49 5.914 -23.052 -4.488 419 H ALA 50 H ALA 50 7.748 -21.706 0.053 420 HA ALA 50 HA ALA 50 6.069 -22.801 1.949 421 HB1 ALA 50 HB1 ALA 50 7.856 -21.322 3.451 422 HB2 ALA 50 HB2 ALA 50 8.097 -22.965 2.856 423 HB3 ALA 50 HB3 ALA 50 8.707 -21.594 1.930 424 H LEU 51 H LEU 51 6.453 -19.462 1.019 425 HA LEU 51 HA LEU 51 5.446 -18.096 3.180 426 HB2 LEU 51 HB2 LEU 51 5.168 -17.648 0.230 427 HB3 LEU 51 HB3 LEU 51 4.427 -16.548 1.390 428 HG LEU 51 HG LEU 51 7.374 -17.165 1.383 429 HD11 LEU 51 HD11 LEU 51 5.798 -15.252 -0.266 430 HD12 LEU 51 HD12 LEU 51 7.232 -16.189 -0.683 431 HD13 LEU 51 HD13 LEU 51 7.379 -14.758 0.338 432 HD21 LEU 51 HD21 LEU 51 6.691 -14.571 2.310 433 HD22 LEU 51 HD22 LEU 51 7.395 -15.913 3.213 434 HD23 LEU 51 HD23 LEU 51 5.642 -15.736 3.120 435 H HIS 52 H HIS 52 3.709 -20.003 0.802 436 HA HIS 52 HA HIS 52 1.113 -19.190 1.764 437 HB2 HIS 52 HB2 HIS 52 1.726 -21.538 -0.031 438 HB3 HIS 52 HB3 HIS 52 0.210 -20.652 0.108 439 HD1 HIS 52 HD1 HIS 52 3.757 -20.139 -1.129 440 HD2 HIS 52 HD2 HIS 52 -0.062 -18.588 -1.652 441 HE1 HIS 52 HE1 HIS 52 3.951 -18.500 -3.026 442 H ARG 53 H ARG 53 3.317 -21.878 2.220 443 HA ARG 53 HA ARG 53 1.520 -23.628 3.516 444 HB2 ARG 53 HB2 ARG 53 4.526 -23.383 3.612 445 HB3 ARG 53 HB3 ARG 53 3.644 -24.654 4.448 446 HG2 ARG 53 HG2 ARG 53 3.261 -24.219 1.515 447 HG3 ARG 53 HG3 ARG 53 4.643 -25.134 2.121 448 HD2 ARG 53 HD2 ARG 53 3.341 -26.854 2.892 449 HD3 ARG 53 HD3 ARG 53 1.936 -25.820 3.143 450 HE ARG 53 HE ARG 53 2.492 -26.003 0.389 451 HH11 ARG 53 HH11 ARG 53 1.274 -27.910 3.035 452 HH12 ARG 53 HH12 ARG 53 0.287 -28.915 2.027 453 HH21 ARG 53 HH21 ARG 53 1.196 -27.320 -0.949 454 HH22 ARG 53 HH22 ARG 53 0.244 -28.579 -0.239 455 H LEU 54 H LEU 54 3.770 -21.182 4.750 456 HA LEU 54 HA LEU 54 3.549 -21.622 7.460 457 HB2 LEU 54 HB2 LEU 54 4.405 -19.497 7.779 458 HB3 LEU 54 HB3 LEU 54 4.955 -19.909 6.156 459 HG LEU 54 HG LEU 54 2.728 -18.612 5.494 460 HD11 LEU 54 HD11 LEU 54 3.242 -16.600 7.398 461 HD12 LEU 54 HD12 LEU 54 2.990 -18.100 8.290 462 HD13 LEU 54 HD13 LEU 54 1.759 -17.527 7.164 463 HD21 LEU 54 HD21 LEU 54 5.334 -18.170 5.171 464 HD22 LEU 54 HD22 LEU 54 4.970 -16.832 6.261 465 HD23 LEU 54 HD23 LEU 54 4.109 -16.981 4.728 466 H THR 55 H THR 55 2.385 -20.198 9.064 467 HA THR 55 HA THR 55 -0.160 -19.116 8.269 468 HB THR 55 HB THR 55 -0.184 -21.541 10.073 469 HG1 THR 55 HG1 THR 55 -1.270 -21.415 7.457 470 HG21 THR 55 HG21 THR 55 -2.709 -20.934 8.933 471 HG22 THR 55 HG22 THR 55 -2.053 -19.441 9.604 472 HG23 THR 55 HG23 THR 55 -2.231 -20.864 10.629 473 H LEU 56 H LEU 56 1.112 -17.364 9.294 474 HA LEU 56 HA LEU 56 1.148 -17.506 12.225 475 HB2 LEU 56 HB2 LEU 56 3.094 -16.689 10.592 476 HB3 LEU 56 HB3 LEU 56 2.241 -15.158 10.784 477 HG LEU 56 HG LEU 56 4.121 -15.361 12.336 478 HD11 LEU 56 HD11 LEU 56 1.893 -15.581 14.225 479 HD12 LEU 56 HD12 LEU 56 1.616 -14.461 12.891 480 HD13 LEU 56 HD13 LEU 56 3.018 -14.253 13.940 481 HD21 LEU 56 HD21 LEU 56 4.589 -17.292 13.320 482 HD22 LEU 56 HD22 LEU 56 3.120 -18.005 12.652 483 HD23 LEU 56 HD23 LEU 56 3.075 -17.199 14.221 484 H GLY 57 H GLY 57 -0.097 -16.210 13.478 485 HA2 GLY 57 HA2 GLY 57 -1.216 -13.960 13.585 486 HA3 GLY 57 HA3 GLY 57 -1.955 -14.407 12.054 487 H SER 58 H SER 58 -2.385 -17.181 12.823 488 HA SER 58 HA SER 58 -4.957 -16.926 13.945 489 HB2 SER 58 HB2 SER 58 -3.198 -19.360 13.574 490 HB3 SER 58 HB3 SER 58 -4.889 -19.430 14.069 491 HG SER 58 HG SER 58 -5.504 -18.923 12.096 492 H ILE 59 H ILE 59 -1.821 -17.573 15.341 493 HA ILE 59 HA ILE 59 -2.919 -18.303 17.919 494 HB ILE 59 HB ILE 59 -0.588 -18.427 18.667 495 HG12 ILE 59 HG12 ILE 59 0.049 -17.474 15.866 496 HG13 ILE 59 HG13 ILE 59 0.344 -16.590 17.359 497 HG21 ILE 59 HG21 ILE 59 -0.166 -19.890 16.233 498 HG22 ILE 59 HG22 ILE 59 -0.534 -20.490 17.849 499 HG23 ILE 59 HG23 ILE 59 -1.843 -20.043 16.755 500 HD11 ILE 59 HD11 ILE 59 1.692 -18.878 17.852 501 HD12 ILE 59 HD12 ILE 59 1.881 -18.743 16.103 502 HD13 ILE 59 HD13 ILE 59 2.407 -17.426 17.152 503 H ALA 60 H ALA 60 -1.469 -15.505 16.379 504 HA ALA 60 HA ALA 60 -1.188 -13.983 18.785 505 HB1 ALA 60 HB1 ALA 60 -1.074 -13.253 15.871 506 HB2 ALA 60 HB2 ALA 60 -0.881 -12.066 17.161 507 HB3 ALA 60 HB3 ALA 60 0.260 -13.402 17.015 508 H VAL 61 H VAL 61 -3.653 -14.315 16.302 509 HA VAL 61 HA VAL 61 -5.231 -12.093 17.073 510 HB VAL 61 HB VAL 61 -5.431 -13.254 14.880 511 HG11 VAL 61 HG11 VAL 61 -5.296 -15.551 15.597 512 HG12 VAL 61 HG12 VAL 61 -6.781 -15.383 16.536 513 HG13 VAL 61 HG13 VAL 61 -6.834 -15.291 14.775 514 HG21 VAL 61 HG21 VAL 61 -8.148 -13.431 16.042 515 HG22 VAL 61 HG22 VAL 61 -7.300 -11.895 16.221 516 HG23 VAL 61 HG23 VAL 61 -7.579 -12.566 14.614 517 H LYS 62 H LYS 62 -4.840 -15.266 18.364 518 HA LYS 62 HA LYS 62 -7.281 -15.031 19.968 519 HB2 LYS 62 HB2 LYS 62 -5.502 -17.281 19.169 520 HB3 LYS 62 HB3 LYS 62 -6.336 -17.412 20.712 521 HG2 LYS 62 HG2 LYS 62 -7.726 -16.852 18.103 522 HG3 LYS 62 HG3 LYS 62 -7.516 -18.467 18.786 523 HD2 LYS 62 HD2 LYS 62 -8.719 -16.334 20.485 524 HD3 LYS 62 HD3 LYS 62 -9.709 -17.077 19.227 525 HE2 LYS 62 HE2 LYS 62 -8.164 -18.731 21.198 526 HE3 LYS 62 HE3 LYS 62 -9.768 -18.104 21.579 527 HZ1 LYS 62 HZ1 LYS 62 -9.785 -19.321 19.030 528 HZ2 LYS 62 HZ2 LYS 62 -10.683 -19.725 20.405 529 HZ3 LYS 62 HZ3 LYS 62 -9.152 -20.403 20.165 530 H GLU 63 H GLU 63 -3.832 -15.815 20.437 531 HA GLU 63 HA GLU 63 -3.952 -15.478 23.264 532 HB2 GLU 63 HB2 GLU 63 -1.654 -15.674 21.320 533 HB3 GLU 63 HB3 GLU 63 -1.417 -15.484 23.051 534 HG2 GLU 63 HG2 GLU 63 -1.220 -17.783 22.608 535 HG3 GLU 63 HG3 GLU 63 -2.799 -17.562 23.358 536 H PHE 64 H PHE 64 -2.537 -13.508 20.655 537 HA PHE 64 HA PHE 64 -2.229 -11.277 22.513 538 HB2 PHE 64 HB2 PHE 64 -1.304 -11.694 19.667 539 HB3 PHE 64 HB3 PHE 64 -1.074 -10.189 20.552 540 HD1 PHE 64 HD1 PHE 64 0.815 -12.570 19.378 541 HD2 PHE 64 HD2 PHE 64 -0.349 -11.150 23.218 542 HE1 PHE 64 HE1 PHE 64 2.901 -13.459 20.334 543 HE2 PHE 64 HE2 PHE 64 1.735 -12.035 24.180 544 HZ PHE 64 HZ PHE 64 3.364 -13.191 22.738 545 H ASP 65 H ASP 65 -4.880 -12.088 21.780 546 HA ASP 65 HA ASP 65 -5.946 -10.404 19.760 547 HB2 ASP 65 HB2 ASP 65 -6.962 -12.529 20.874 548 HB3 ASP 65 HB3 ASP 65 -7.568 -11.399 22.082 549 H GLU 66 H GLU 66 -6.160 -10.197 23.317 550 HA GLU 66 HA GLU 66 -6.757 -7.333 23.033 551 HB2 GLU 66 HB2 GLU 66 -7.361 -9.341 25.186 552 HB3 GLU 66 HB3 GLU 66 -7.404 -7.616 25.521 553 HG2 GLU 66 HG2 GLU 66 -9.176 -7.260 24.017 554 HG3 GLU 66 HG3 GLU 66 -8.977 -8.852 23.286 555 H THR 67 H THR 67 -4.607 -9.644 24.565 556 HA THR 67 HA THR 67 -3.234 -7.907 26.280 557 HB THR 67 HB THR 67 -1.286 -9.587 25.878 558 HG1 THR 67 HG1 THR 67 -2.159 -11.597 25.011 559 HG21 THR 67 HG21 THR 67 -3.922 -10.596 26.951 560 HG22 THR 67 HG22 THR 67 -2.801 -9.563 27.838 561 HG23 THR 67 HG23 THR 67 -2.317 -11.192 27.368 562 H ASP 68 H ASP 68 -2.745 -8.673 22.871 563 HA ASP 68 HA ASP 68 -1.229 -6.229 22.535 564 HB2 ASP 68 HB2 ASP 68 0.011 -8.861 21.714 565 HB3 ASP 68 HB3 ASP 68 0.723 -7.257 21.557 566 HA PRO 69 HA PRO 69 -4.045 -7.339 19.026 567 HB2 PRO 69 HB2 PRO 69 -5.156 -4.869 18.838 568 HB3 PRO 69 HB3 PRO 69 -5.760 -6.113 19.939 569 HG2 PRO 69 HG2 PRO 69 -3.966 -3.785 20.512 570 HG3 PRO 69 HG3 PRO 69 -5.336 -4.401 21.455 571 HD2 PRO 69 HD2 PRO 69 -2.763 -4.947 22.098 572 HD3 PRO 69 HD3 PRO 69 -4.087 -6.090 22.404 573 H GLU 70 H GLU 70 -1.943 -4.565 19.610 574 HA GLU 70 HA GLU 70 -1.767 -3.584 17.002 575 HB2 GLU 70 HB2 GLU 70 -0.122 -3.398 19.456 576 HB3 GLU 70 HB3 GLU 70 0.702 -3.035 17.946 577 HG2 GLU 70 HG2 GLU 70 -1.875 -1.733 18.781 578 HG3 GLU 70 HG3 GLU 70 -0.282 -1.069 19.141 579 H LEU 71 H LEU 71 -0.090 -6.235 18.582 580 HA LEU 71 HA LEU 71 1.725 -6.665 16.389 581 HB2 LEU 71 HB2 LEU 71 1.084 -8.582 18.616 582 HB3 LEU 71 HB3 LEU 71 2.542 -8.521 17.627 583 HG LEU 71 HG LEU 71 1.724 -6.473 19.688 584 HD11 LEU 71 HD11 LEU 71 3.312 -8.938 19.807 585 HD12 LEU 71 HD12 LEU 71 2.500 -8.044 21.091 586 HD13 LEU 71 HD13 LEU 71 4.082 -7.518 20.516 587 HD21 LEU 71 HD21 LEU 71 3.765 -5.375 19.259 588 HD22 LEU 71 HD22 LEU 71 3.041 -5.667 17.678 589 HD23 LEU 71 HD23 LEU 71 4.355 -6.695 18.250 590 H SER 72 H SER 72 -1.165 -8.284 17.665 591 HA SER 72 HA SER 72 -1.241 -10.410 15.852 592 HB2 SER 72 HB2 SER 72 -2.716 -10.715 17.603 593 HB3 SER 72 HB3 SER 72 -3.266 -9.040 17.570 594 HG SER 72 HG SER 72 -4.872 -9.733 16.426 595 H ARG 73 H ARG 73 -2.918 -7.271 15.712 596 HA ARG 73 HA ARG 73 -4.184 -7.633 13.258 597 HB2 ARG 73 HB2 ARG 73 -4.504 -5.752 14.957 598 HB3 ARG 73 HB3 ARG 73 -3.108 -4.985 14.212 599 HG2 ARG 73 HG2 ARG 73 -4.313 -5.041 12.038 600 HG3 ARG 73 HG3 ARG 73 -5.731 -5.645 12.897 601 HD2 ARG 73 HD2 ARG 73 -6.194 -3.409 12.908 602 HD3 ARG 73 HD3 ARG 73 -5.281 -3.533 14.412 603 HE ARG 73 HE ARG 73 -3.526 -2.984 12.278 604 HH11 ARG 73 HH11 ARG 73 -6.007 -1.479 14.201 605 HH12 ARG 73 HH12 ARG 73 -5.366 0.120 14.012 606 HH21 ARG 73 HH21 ARG 73 -2.672 -0.884 12.021 607 HH22 ARG 73 HH22 ARG 73 -3.470 0.457 12.771 608 H ALA 74 H ALA 74 -0.912 -6.595 14.009 609 HA ALA 74 HA ALA 74 -0.260 -5.845 11.322 610 HB1 ALA 74 HB1 ALA 74 1.851 -6.570 13.291 611 HB2 ALA 74 HB2 ALA 74 1.795 -5.243 12.130 612 HB3 ALA 74 HB3 ALA 74 0.841 -5.160 13.611 613 H LEU 75 H LEU 75 0.069 -8.749 13.276 614 HA LEU 75 HA LEU 75 1.768 -10.150 11.481 615 HB2 LEU 75 HB2 LEU 75 0.229 -10.753 13.910 616 HB3 LEU 75 HB3 LEU 75 0.464 -12.119 12.822 617 HG LEU 75 HG LEU 75 2.169 -12.102 14.541 618 HD11 LEU 75 HD11 LEU 75 3.949 -12.562 13.171 619 HD12 LEU 75 HD12 LEU 75 3.638 -11.184 12.117 620 HD13 LEU 75 HD13 LEU 75 2.620 -12.619 12.014 621 HD21 LEU 75 HD21 LEU 75 2.428 -9.263 13.712 622 HD22 LEU 75 HD22 LEU 75 3.891 -10.114 14.209 623 HD23 LEU 75 HD23 LEU 75 2.523 -9.990 15.317 624 H LYS 76 H LYS 76 -1.731 -10.387 12.119 625 HA LYS 76 HA LYS 76 -2.394 -12.293 10.240 626 HB2 LYS 76 HB2 LYS 76 -4.651 -11.324 10.253 627 HB3 LYS 76 HB3 LYS 76 -3.988 -11.436 11.878 628 HG2 LYS 76 HG2 LYS 76 -3.434 -9.056 11.817 629 HG3 LYS 76 HG3 LYS 76 -4.103 -8.945 10.187 630 HD2 LYS 76 HD2 LYS 76 -5.713 -8.159 11.838 631 HD3 LYS 76 HD3 LYS 76 -6.296 -9.627 11.048 632 HE2 LYS 76 HE2 LYS 76 -6.096 -10.884 12.938 633 HE3 LYS 76 HE3 LYS 76 -4.733 -9.948 13.549 634 HZ1 LYS 76 HZ1 LYS 76 -6.197 -9.014 14.914 635 HZ2 LYS 76 HZ2 LYS 76 -7.525 -9.643 14.077 636 HZ3 LYS 76 HZ3 LYS 76 -6.819 -8.191 13.573 637 H ASP 77 H ASP 77 -1.750 -8.876 9.785 638 HA ASP 77 HA ASP 77 -2.545 -8.948 6.997 639 HB2 ASP 77 HB2 ASP 77 -2.986 -6.920 8.274 640 HB3 ASP 77 HB3 ASP 77 -1.274 -6.759 8.653 641 H ALA 78 H ALA 78 0.361 -9.140 8.907 642 HA ALA 78 HA ALA 78 2.272 -8.535 6.952 643 HB1 ALA 78 HB1 ALA 78 2.251 -9.607 9.605 644 HB2 ALA 78 HB2 ALA 78 3.361 -10.539 8.598 645 HB3 ALA 78 HB3 ALA 78 3.556 -8.792 8.742 646 H TYR 79 H TYR 79 1.193 -11.765 8.028 647 HA TYR 79 HA TYR 79 2.502 -13.131 5.918 648 HB2 TYR 79 HB2 TYR 79 1.710 -15.056 6.880 649 HB3 TYR 79 HB3 TYR 79 1.532 -13.962 8.247 650 HD1 TYR 79 HD1 TYR 79 -0.166 -16.120 5.916 651 HD2 TYR 79 HD2 TYR 79 -0.735 -12.975 8.725 652 HE1 TYR 79 HE1 TYR 79 -2.564 -16.657 6.023 653 HE2 TYR 79 HE2 TYR 79 -3.134 -13.504 8.840 654 HH TYR 79 HH TYR 79 -4.834 -14.606 7.662 655 H TYR 80 H TYR 80 -0.668 -11.716 6.277 656 HA TYR 80 HA TYR 80 -2.106 -12.980 4.294 657 HB2 TYR 80 HB2 TYR 80 -3.193 -11.386 5.711 658 HB3 TYR 80 HB3 TYR 80 -2.136 -10.089 5.166 659 HD1 TYR 80 HD1 TYR 80 -5.014 -12.193 4.292 660 HD2 TYR 80 HD2 TYR 80 -2.521 -8.974 3.056 661 HE1 TYR 80 HE1 TYR 80 -6.650 -11.601 2.554 662 HE2 TYR 80 HE2 TYR 80 -4.151 -8.372 1.316 663 HH TYR 80 HH TYR 80 -7.218 -9.297 1.269 664 H VAL 81 H VAL 81 -0.213 -9.980 3.901 665 HA VAL 81 HA VAL 81 -0.456 -9.918 1.082 666 HB VAL 81 HB VAL 81 1.382 -8.257 1.154 667 HG11 VAL 81 HG11 VAL 81 -0.556 -7.653 3.365 668 HG12 VAL 81 HG12 VAL 81 0.117 -6.560 2.153 669 HG13 VAL 81 HG13 VAL 81 -1.076 -7.772 1.684 670 HG21 VAL 81 HG21 VAL 81 2.246 -7.553 3.361 671 HG22 VAL 81 HG22 VAL 81 1.426 -8.931 4.095 672 HG23 VAL 81 HG23 VAL 81 2.725 -9.195 2.931 673 H GLY 82 H GLY 82 1.915 -11.322 3.266 674 HA2 GLY 82 HA2 GLY 82 3.992 -11.833 1.485 675 HA3 GLY 82 HA3 GLY 82 3.619 -12.814 2.895 676 H ILE 83 H ILE 83 1.205 -13.903 2.267 677 HA ILE 83 HA ILE 83 1.840 -16.103 0.729 678 HB ILE 83 HB ILE 83 -0.910 -14.935 1.169 679 HG12 ILE 83 HG12 ILE 83 0.250 -17.248 2.681 680 HG13 ILE 83 HG13 ILE 83 0.667 -15.605 3.155 681 HG21 ILE 83 HG21 ILE 83 -0.079 -17.716 0.353 682 HG22 ILE 83 HG22 ILE 83 -1.722 -17.209 0.745 683 HG23 ILE 83 HG23 ILE 83 -0.903 -16.533 -0.663 684 HD11 ILE 83 HD11 ILE 83 -2.202 -16.213 2.791 685 HD12 ILE 83 HD12 ILE 83 -1.390 -16.917 4.189 686 HD13 ILE 83 HD13 ILE 83 -1.399 -15.169 3.962 687 H ARG 84 H ARG 84 -0.125 -13.303 -0.281 688 HA ARG 84 HA ARG 84 -0.571 -14.049 -2.909 689 HB2 ARG 84 HB2 ARG 84 -0.124 -11.243 -1.874 690 HB3 ARG 84 HB3 ARG 84 -0.935 -11.675 -3.374 691 HG2 ARG 84 HG2 ARG 84 -1.899 -12.520 -0.653 692 HG3 ARG 84 HG3 ARG 84 -2.452 -11.067 -1.489 693 HD2 ARG 84 HD2 ARG 84 -2.554 -13.618 -2.992 694 HD3 ARG 84 HD3 ARG 84 -3.710 -13.414 -1.677 695 HE ARG 84 HE ARG 84 -3.800 -12.163 -4.219 696 HH11 ARG 84 HH11 ARG 84 -4.467 -11.608 -0.848 697 HH12 ARG 84 HH12 ARG 84 -5.696 -10.425 -1.152 698 HH21 ARG 84 HH21 ARG 84 -5.415 -10.607 -4.632 699 HH22 ARG 84 HH22 ARG 84 -6.235 -9.857 -3.305 700 H THR 85 H THR 85 2.048 -11.967 -1.676 701 HA THR 85 HA THR 85 3.392 -11.612 -4.093 702 HB THR 85 HB THR 85 4.763 -11.789 -1.410 703 HG1 THR 85 HG1 THR 85 4.053 -9.752 -0.993 704 HG21 THR 85 HG21 THR 85 5.329 -10.112 -3.858 705 HG22 THR 85 HG22 THR 85 6.214 -11.563 -3.386 706 HG23 THR 85 HG23 THR 85 6.266 -10.126 -2.365 707 H GLY 86 H GLY 86 3.551 -14.230 -1.747 708 HA2 GLY 86 HA2 GLY 86 5.856 -15.532 -2.545 709 HA3 GLY 86 HA3 GLY 86 4.431 -16.345 -1.915 710 H ARG 87 H ARG 87 2.678 -15.572 -4.062 711 HA ARG 87 HA ARG 87 3.682 -17.421 -6.106 712 HB2 ARG 87 HB2 ARG 87 1.588 -18.120 -5.176 713 HB3 ARG 87 HB3 ARG 87 0.893 -16.518 -5.389 714 HG2 ARG 87 HG2 ARG 87 0.872 -16.775 -7.770 715 HG3 ARG 87 HG3 ARG 87 1.760 -18.296 -7.657 716 HD2 ARG 87 HD2 ARG 87 -0.077 -19.404 -6.665 717 HD3 ARG 87 HD3 ARG 87 -0.920 -17.887 -6.357 718 HE ARG 87 HE ARG 87 -1.751 -17.969 -8.482 719 HH11 ARG 87 HH11 ARG 87 0.985 -20.110 -8.261 720 HH12 ARG 87 HH12 ARG 87 0.760 -20.773 -9.846 721 HH21 ARG 87 HH21 ARG 87 -2.057 -18.833 -10.571 722 HH22 ARG 87 HH22 ARG 87 -0.970 -20.045 -11.159 723 H GLY 88 H GLY 88 2.745 -14.133 -5.577 724 HA2 GLY 88 HA2 GLY 88 3.601 -12.454 -7.098 725 HA3 GLY 88 HA3 GLY 88 3.305 -13.575 -8.419 726 H LEU 89 H LEU 89 1.041 -12.960 -5.807 727 HA LEU 89 HA LEU 89 -0.943 -12.131 -7.762 728 HB2 LEU 89 HB2 LEU 89 -1.000 -12.995 -4.909 729 HB3 LEU 89 HB3 LEU 89 -2.353 -12.065 -5.550 730 HG LEU 89 HG LEU 89 -2.162 -13.997 -7.428 731 HD11 LEU 89 HD11 LEU 89 -2.044 -16.041 -5.636 732 HD12 LEU 89 HD12 LEU 89 -0.765 -14.979 -5.050 733 HD13 LEU 89 HD13 LEU 89 -0.731 -15.564 -6.713 734 HD21 LEU 89 HD21 LEU 89 -4.124 -14.895 -6.495 735 HD22 LEU 89 HD22 LEU 89 -4.118 -13.199 -6.013 736 HD23 LEU 89 HD23 LEU 89 -3.651 -14.446 -4.856 737 H LYS 90 H LYS 90 -2.231 -10.225 -7.501 738 HA LYS 90 HA LYS 90 -0.701 -7.912 -6.911 739 HB2 LYS 90 HB2 LYS 90 -2.474 -6.693 -7.762 740 HB3 LYS 90 HB3 LYS 90 -2.703 -8.246 -8.554 741 HG2 LYS 90 HG2 LYS 90 -4.152 -7.320 -6.081 742 HG3 LYS 90 HG3 LYS 90 -4.804 -7.312 -7.721 743 HD2 LYS 90 HD2 LYS 90 -3.860 -9.774 -6.255 744 HD3 LYS 90 HD3 LYS 90 -5.544 -9.262 -6.382 745 HE2 LYS 90 HE2 LYS 90 -3.731 -9.943 -8.695 746 HE3 LYS 90 HE3 LYS 90 -4.980 -10.992 -8.029 747 HZ1 LYS 90 HZ1 LYS 90 -5.237 -8.664 -9.746 748 HZ2 LYS 90 HZ2 LYS 90 -6.398 -8.802 -8.523 749 HZ3 LYS 90 HZ3 LYS 90 -6.202 -10.050 -9.648 750 H VAL 91 H VAL 91 -1.168 -6.263 -5.347 751 HA VAL 91 HA VAL 91 -2.564 -7.240 -2.944 752 HB VAL 91 HB VAL 91 0.021 -5.676 -2.943 753 HG11 VAL 91 HG11 VAL 91 -1.372 -5.123 -1.045 754 HG12 VAL 91 HG12 VAL 91 -1.618 -6.834 -0.691 755 HG13 VAL 91 HG13 VAL 91 -0.016 -6.118 -0.516 756 HG21 VAL 91 HG21 VAL 91 -0.536 -8.535 -3.016 757 HG22 VAL 91 HG22 VAL 91 0.972 -7.668 -3.302 758 HG23 VAL 91 HG23 VAL 91 0.480 -8.061 -1.655 759 H ASP 92 H ASP 92 -3.969 -5.852 -2.059 760 HA ASP 92 HA ASP 92 -3.739 -3.069 -1.991 761 HB2 ASP 92 HB2 ASP 92 -5.607 -2.513 -3.613 762 HB3 ASP 92 HB3 ASP 92 -4.074 -2.981 -4.345 763 H LEU 93 H LEU 93 -4.706 -2.802 -0.093 764 HA LEU 93 HA LEU 93 -7.406 -3.915 0.266 765 HB2 LEU 93 HB2 LEU 93 -5.603 -3.611 2.614 766 HB3 LEU 93 HB3 LEU 93 -6.961 -4.708 2.374 767 HG LEU 93 HG LEU 93 -4.257 -5.001 1.067 768 HD11 LEU 93 HD11 LEU 93 -3.802 -6.735 2.638 769 HD12 LEU 93 HD12 LEU 93 -5.414 -6.602 3.339 770 HD13 LEU 93 HD13 LEU 93 -4.253 -5.292 3.548 771 HD21 LEU 93 HD21 LEU 93 -5.047 -6.818 -0.015 772 HD22 LEU 93 HD22 LEU 93 -6.590 -5.980 0.156 773 HD23 LEU 93 HD23 LEU 93 -6.147 -7.254 1.293 774 HA PRO 94 HA PRO 94 -8.666 0.120 1.450 775 HB2 PRO 94 HB2 PRO 94 -10.600 -0.440 3.271 776 HB3 PRO 94 HB3 PRO 94 -10.810 -0.703 1.536 777 HG2 PRO 94 HG2 PRO 94 -10.108 -2.673 3.678 778 HG3 PRO 94 HG3 PRO 94 -11.241 -2.847 2.325 779 HD2 PRO 94 HD2 PRO 94 -8.744 -3.894 2.278 780 HD3 PRO 94 HD3 PRO 94 -9.563 -3.310 0.815 Start of MODEL 2 1 H MET 1 H MET 1 2.254 -0.552 -0.595 2 HA MET 1 HA MET 1 3.003 -0.938 -3.390 3 HB2 MET 1 HB2 MET 1 3.506 1.216 -2.263 4 HB3 MET 1 HB3 MET 1 4.557 0.359 -1.144 5 HG2 MET 1 HG2 MET 1 6.095 -0.180 -2.851 6 HG3 MET 1 HG3 MET 1 4.970 0.309 -4.116 7 HE1 MET 1 HE1 MET 1 5.925 2.839 -5.382 8 HE2 MET 1 HE2 MET 1 4.342 2.355 -4.772 9 HE3 MET 1 HE3 MET 1 5.005 3.934 -4.349 10 H THR 2 H THR 2 4.320 -1.711 -0.168 11 HA THR 2 HA THR 2 5.259 -4.272 -1.186 12 HB THR 2 HB THR 2 7.250 -3.132 -1.619 13 HG1 THR 2 HG1 THR 2 8.450 -4.374 -0.396 14 HG21 THR 2 HG21 THR 2 6.932 -0.977 -0.785 15 HG22 THR 2 HG22 THR 2 8.248 -1.602 0.210 16 HG23 THR 2 HG23 THR 2 6.605 -1.554 0.849 17 HA PRO 3 HA PRO 3 4.034 -5.620 2.818 18 HB2 PRO 3 HB2 PRO 3 5.503 -7.895 3.003 19 HB3 PRO 3 HB3 PRO 3 4.084 -7.750 1.959 20 HG2 PRO 3 HG2 PRO 3 6.986 -7.538 1.253 21 HG3 PRO 3 HG3 PRO 3 5.682 -8.373 0.389 22 HD2 PRO 3 HD2 PRO 3 6.601 -5.939 -0.361 23 HD3 PRO 3 HD3 PRO 3 4.910 -6.429 -0.581 24 H ILE 4 H ILE 4 7.477 -5.402 2.079 25 HA ILE 4 HA ILE 4 8.593 -5.768 4.572 26 HB ILE 4 HB ILE 4 9.865 -5.400 2.455 27 HG12 ILE 4 HG12 ILE 4 11.148 -3.410 4.145 28 HG13 ILE 4 HG13 ILE 4 10.560 -4.780 5.081 29 HG21 ILE 4 HG21 ILE 4 8.423 -3.160 2.154 30 HG22 ILE 4 HG22 ILE 4 9.878 -2.479 2.880 31 HG23 ILE 4 HG23 ILE 4 9.991 -3.411 1.387 32 HD11 ILE 4 HD11 ILE 4 12.184 -5.197 2.607 33 HD12 ILE 4 HD12 ILE 4 12.949 -4.850 4.158 34 HD13 ILE 4 HD13 ILE 4 11.936 -6.281 3.975 35 H GLU 5 H GLU 5 6.860 -2.996 3.326 36 HA GLU 5 HA GLU 5 7.602 -1.226 5.449 37 HB2 GLU 5 HB2 GLU 5 5.931 -1.123 3.054 38 HB3 GLU 5 HB3 GLU 5 5.242 -0.235 4.406 39 HG2 GLU 5 HG2 GLU 5 8.086 0.151 3.540 40 HG3 GLU 5 HG3 GLU 5 6.752 1.037 2.804 41 H TYR 6 H TYR 6 4.863 -3.345 4.788 42 HA TYR 6 HA TYR 6 3.275 -2.492 6.977 43 HB2 TYR 6 HB2 TYR 6 3.263 -5.030 5.341 44 HB3 TYR 6 HB3 TYR 6 2.076 -4.684 6.594 45 HD1 TYR 6 HD1 TYR 6 2.130 -4.936 3.318 46 HD2 TYR 6 HD2 TYR 6 1.500 -1.853 6.182 47 HE1 TYR 6 HE1 TYR 6 0.772 -3.701 1.681 48 HE2 TYR 6 HE2 TYR 6 0.139 -0.611 4.554 49 HH TYR 6 HH TYR 6 -0.901 -0.716 2.561 50 H ILE 7 H ILE 7 5.403 -5.307 6.524 51 HA ILE 7 HA ILE 7 5.065 -6.355 9.120 52 HB ILE 7 HB ILE 7 7.108 -7.653 8.682 53 HG12 ILE 7 HG12 ILE 7 7.799 -7.194 6.079 54 HG13 ILE 7 HG13 ILE 7 7.468 -5.559 6.641 55 HG21 ILE 7 HG21 ILE 7 6.228 -8.435 6.261 56 HG22 ILE 7 HG22 ILE 7 5.434 -8.860 7.777 57 HG23 ILE 7 HG23 ILE 7 4.834 -7.508 6.816 58 HD11 ILE 7 HD11 ILE 7 9.020 -6.752 8.637 59 HD12 ILE 7 HD12 ILE 7 9.757 -7.210 7.101 60 HD13 ILE 7 HD13 ILE 7 9.506 -5.507 7.487 61 H ASP 8 H ASP 8 7.288 -3.987 7.782 62 HA ASP 8 HA ASP 8 9.164 -3.842 9.822 63 HB2 ASP 8 HB2 ASP 8 9.579 -2.627 7.819 64 HB3 ASP 8 HB3 ASP 8 8.075 -1.723 7.972 65 H ARG 9 H ARG 9 5.974 -2.354 9.584 66 HA ARG 9 HA ARG 9 6.151 -0.671 11.820 67 HB2 ARG 9 HB2 ARG 9 4.361 -0.536 10.122 68 HB3 ARG 9 HB3 ARG 9 3.701 -2.055 10.714 69 HG2 ARG 9 HG2 ARG 9 4.058 0.182 12.639 70 HG3 ARG 9 HG3 ARG 9 2.725 0.256 11.485 71 HD2 ARG 9 HD2 ARG 9 2.322 -2.213 12.302 72 HD3 ARG 9 HD3 ARG 9 3.206 -1.653 13.721 73 HE ARG 9 HE ARG 9 1.377 -0.420 14.328 74 HH11 ARG 9 HH11 ARG 9 1.060 -1.358 10.990 75 HH12 ARG 9 HH12 ARG 9 -0.566 -0.778 10.846 76 HH21 ARG 9 HH21 ARG 9 -0.763 0.348 14.150 77 HH22 ARG 9 HH22 ARG 9 -1.602 0.193 12.643 78 H ALA 10 H ALA 10 4.800 -3.957 11.546 79 HA ALA 10 HA ALA 10 4.029 -4.345 14.166 80 HB1 ALA 10 HB1 ALA 10 5.322 -6.571 12.643 81 HB2 ALA 10 HB2 ALA 10 3.903 -6.607 13.691 82 HB3 ALA 10 HB3 ALA 10 3.798 -5.878 12.088 83 H LEU 11 H LEU 11 7.242 -4.534 12.759 84 HA LEU 11 HA LEU 11 8.640 -5.842 14.743 85 HB2 LEU 11 HB2 LEU 11 9.358 -4.727 12.456 86 HB3 LEU 11 HB3 LEU 11 9.863 -3.420 13.524 87 HG LEU 11 HG LEU 11 11.003 -5.592 14.723 88 HD11 LEU 11 HD11 LEU 11 10.829 -7.285 13.247 89 HD12 LEU 11 HD12 LEU 11 12.201 -6.482 12.486 90 HD13 LEU 11 HD13 LEU 11 10.569 -6.208 11.875 91 HD21 LEU 11 HD21 LEU 11 12.404 -3.819 14.542 92 HD22 LEU 11 HD22 LEU 11 11.906 -3.450 12.890 93 HD23 LEU 11 HD23 LEU 11 13.032 -4.773 13.198 94 H ALA 12 H ALA 12 7.707 -2.433 14.591 95 HA ALA 12 HA ALA 12 9.069 -1.606 16.920 96 HB1 ALA 12 HB1 ALA 12 7.423 -0.414 14.969 97 HB2 ALA 12 HB2 ALA 12 6.694 -0.063 16.537 98 HB3 ALA 12 HB3 ALA 12 8.372 0.382 16.226 99 H LEU 13 H LEU 13 5.903 -3.029 16.388 100 HA LEU 13 HA LEU 13 4.984 -2.582 19.068 101 HB2 LEU 13 HB2 LEU 13 3.960 -4.449 16.934 102 HB3 LEU 13 HB3 LEU 13 3.128 -4.060 18.439 103 HG LEU 13 HG LEU 13 3.759 -2.067 16.263 104 HD11 LEU 13 HD11 LEU 13 2.110 -3.158 15.189 105 HD12 LEU 13 HD12 LEU 13 1.071 -2.267 16.300 106 HD13 LEU 13 HD13 LEU 13 1.518 -3.935 16.657 107 HD21 LEU 13 HD21 LEU 13 2.589 -1.899 18.969 108 HD22 LEU 13 HD22 LEU 13 1.761 -0.994 17.701 109 HD23 LEU 13 HD23 LEU 13 3.467 -0.690 18.031 110 H VAL 14 H VAL 14 6.567 -5.191 17.336 111 HA VAL 14 HA VAL 14 6.253 -7.121 19.431 112 HB VAL 14 HB VAL 14 8.268 -7.175 17.184 113 HG11 VAL 14 HG11 VAL 14 7.379 -9.080 19.250 114 HG12 VAL 14 HG12 VAL 14 7.556 -9.736 17.621 115 HG13 VAL 14 HG13 VAL 14 8.924 -8.952 18.411 116 HG21 VAL 14 HG21 VAL 14 6.127 -8.840 16.538 117 HG22 VAL 14 HG22 VAL 14 5.389 -7.338 17.095 118 HG23 VAL 14 HG23 VAL 14 6.554 -7.311 15.771 119 H VAL 15 H VAL 15 9.028 -5.241 18.217 120 HA VAL 15 HA VAL 15 10.954 -6.074 20.004 121 HB VAL 15 HB VAL 15 11.429 -4.599 18.098 122 HG11 VAL 15 HG11 VAL 15 9.379 -3.126 18.649 123 HG12 VAL 15 HG12 VAL 15 10.489 -2.258 19.711 124 HG13 VAL 15 HG13 VAL 15 10.820 -2.361 17.982 125 HG21 VAL 15 HG21 VAL 15 12.532 -4.415 20.717 126 HG22 VAL 15 HG22 VAL 15 13.338 -4.203 19.162 127 HG23 VAL 15 HG23 VAL 15 12.595 -2.820 19.966 128 H ASP 16 H ASP 16 8.368 -3.749 20.477 129 HA ASP 16 HA ASP 16 9.321 -2.731 22.960 130 HB2 ASP 16 HB2 ASP 16 7.632 -1.638 21.387 131 HB3 ASP 16 HB3 ASP 16 6.443 -2.751 22.059 132 H ARG 17 H ARG 17 7.212 -5.382 22.029 133 HA ARG 17 HA ARG 17 6.373 -5.956 24.714 134 HB2 ARG 17 HB2 ARG 17 5.980 -7.192 22.033 135 HB3 ARG 17 HB3 ARG 17 5.736 -8.209 23.446 136 HG2 ARG 17 HG2 ARG 17 4.347 -5.583 22.959 137 HG3 ARG 17 HG3 ARG 17 3.660 -7.173 22.620 138 HD2 ARG 17 HD2 ARG 17 3.169 -7.543 24.774 139 HD3 ARG 17 HD3 ARG 17 4.720 -6.914 25.327 140 HE ARG 17 HE ARG 17 3.377 -4.680 24.628 141 HH11 ARG 17 HH11 ARG 17 2.584 -7.396 26.655 142 HH12 ARG 17 HH12 ARG 17 1.557 -6.478 27.707 143 HH21 ARG 17 HH21 ARG 17 2.028 -3.460 26.005 144 HH22 ARG 17 HH22 ARG 17 1.241 -4.240 27.336 145 H LEU 18 H LEU 18 8.856 -7.122 22.520 146 HA LEU 18 HA LEU 18 9.648 -9.451 23.765 147 HB2 LEU 18 HB2 LEU 18 10.915 -7.448 22.036 148 HB3 LEU 18 HB3 LEU 18 12.040 -8.388 23.014 149 HG LEU 18 HG LEU 18 11.713 -9.308 20.747 150 HD11 LEU 18 HD11 LEU 18 10.491 -11.410 22.376 151 HD12 LEU 18 HD12 LEU 18 11.900 -10.647 23.111 152 HD13 LEU 18 HD13 LEU 18 12.031 -11.386 21.516 153 HD21 LEU 18 HD21 LEU 18 9.420 -8.700 20.348 154 HD22 LEU 18 HD22 LEU 18 8.877 -9.701 21.695 155 HD23 LEU 18 HD23 LEU 18 9.570 -10.455 20.259 156 H ALA 19 H ALA 19 10.762 -6.144 24.459 157 HA ALA 19 HA ALA 19 12.553 -6.765 26.504 158 HB1 ALA 19 HB1 ALA 19 12.527 -4.478 27.069 159 HB2 ALA 19 HB2 ALA 19 12.228 -4.541 25.332 160 HB3 ALA 19 HB3 ALA 19 10.890 -4.262 26.447 161 H ARG 20 H ARG 20 9.065 -6.348 26.560 162 HA ARG 20 HA ARG 20 8.847 -6.348 29.412 163 HB2 ARG 20 HB2 ARG 20 6.803 -6.786 27.231 164 HB3 ARG 20 HB3 ARG 20 6.406 -6.710 28.942 165 HG2 ARG 20 HG2 ARG 20 7.123 -4.435 29.079 166 HG3 ARG 20 HG3 ARG 20 7.766 -4.490 27.436 167 HD2 ARG 20 HD2 ARG 20 5.515 -4.826 26.558 168 HD3 ARG 20 HD3 ARG 20 4.865 -4.812 28.197 169 HE ARG 20 HE ARG 20 5.651 -2.537 26.620 170 HH11 ARG 20 HH11 ARG 20 5.108 -3.755 29.836 171 HH12 ARG 20 HH12 ARG 20 4.820 -2.189 30.521 172 HH21 ARG 20 HH21 ARG 20 5.275 -0.471 27.510 173 HH22 ARG 20 HH22 ARG 20 4.915 -0.322 29.197 174 H TYR 21 H TYR 21 8.671 -8.782 26.883 175 HA TYR 21 HA TYR 21 8.594 -10.850 28.977 176 HB2 TYR 21 HB2 TYR 21 7.142 -10.869 26.325 177 HB3 TYR 21 HB3 TYR 21 7.289 -12.269 27.381 178 HD1 TYR 21 HD1 TYR 21 5.586 -9.115 26.799 179 HD2 TYR 21 HD2 TYR 21 6.152 -12.286 29.579 180 HE1 TYR 21 HE1 TYR 21 3.574 -8.397 28.019 181 HE2 TYR 21 HE2 TYR 21 4.142 -11.578 30.805 182 HH TYR 21 HH TYR 21 2.265 -10.285 30.676 183 HA PRO 22 HA PRO 22 12.303 -11.324 26.188 184 HB2 PRO 22 HB2 PRO 22 14.104 -11.541 28.207 185 HB3 PRO 22 HB3 PRO 22 13.612 -9.988 27.522 186 HG2 PRO 22 HG2 PRO 22 12.671 -11.338 30.022 187 HG3 PRO 22 HG3 PRO 22 13.077 -9.633 29.757 188 HD2 PRO 22 HD2 PRO 22 10.524 -10.534 29.795 189 HD3 PRO 22 HD3 PRO 22 11.039 -9.170 28.783 190 H GLY 23 H GLY 23 11.054 -13.379 25.859 191 HA2 GLY 23 HA2 GLY 23 12.324 -15.647 25.904 192 HA3 GLY 23 HA3 GLY 23 11.936 -15.562 27.616 193 H TYR 24 H TYR 24 9.931 -14.597 24.862 194 HA TYR 24 HA TYR 24 7.886 -16.480 25.809 195 HB2 TYR 24 HB2 TYR 24 7.635 -13.825 25.338 196 HB3 TYR 24 HB3 TYR 24 7.169 -14.465 23.766 197 HD1 TYR 24 HD1 TYR 24 4.888 -14.572 23.497 198 HD2 TYR 24 HD2 TYR 24 6.531 -15.450 27.322 199 HE1 TYR 24 HE1 TYR 24 2.630 -15.038 24.353 200 HE2 TYR 24 HE2 TYR 24 4.277 -15.919 28.189 201 HH TYR 24 HH TYR 24 1.557 -16.261 26.148 202 H GLU 25 H GLU 25 7.752 -18.325 24.732 203 HA GLU 25 HA GLU 25 9.043 -18.977 22.382 204 HB2 GLU 25 HB2 GLU 25 6.681 -20.126 23.813 205 HB3 GLU 25 HB3 GLU 25 7.104 -20.750 22.225 206 HG2 GLU 25 HG2 GLU 25 9.445 -21.088 23.154 207 HG3 GLU 25 HG3 GLU 25 8.731 -20.809 24.741 208 H VAL 26 H VAL 26 5.869 -17.544 22.839 209 HA VAL 26 HA VAL 26 5.019 -17.811 20.134 210 HB VAL 26 HB VAL 26 4.049 -15.770 22.134 211 HG11 VAL 26 HG11 VAL 26 3.307 -15.380 19.852 212 HG12 VAL 26 HG12 VAL 26 2.728 -17.044 19.739 213 HG13 VAL 26 HG13 VAL 26 1.959 -15.915 20.855 214 HG21 VAL 26 HG21 VAL 26 3.579 -18.697 21.938 215 HG22 VAL 26 HG22 VAL 26 3.663 -17.657 23.360 216 HG23 VAL 26 HG23 VAL 26 2.212 -17.665 22.358 217 H LEU 27 H LEU 27 6.301 -15.064 22.004 218 HA LEU 27 HA LEU 27 6.276 -13.131 20.036 219 HB2 LEU 27 HB2 LEU 27 8.208 -13.616 22.288 220 HB3 LEU 27 HB3 LEU 27 8.297 -12.193 21.251 221 HG LEU 27 HG LEU 27 5.901 -12.914 22.935 222 HD11 LEU 27 HD11 LEU 27 6.885 -12.015 24.706 223 HD12 LEU 27 HD12 LEU 27 7.299 -10.565 23.792 224 HD13 LEU 27 HD13 LEU 27 8.393 -11.948 23.794 225 HD21 LEU 27 HD21 LEU 27 6.489 -10.860 20.937 226 HD22 LEU 27 HD22 LEU 27 5.851 -10.226 22.454 227 HD23 LEU 27 HD23 LEU 27 4.941 -11.438 21.551 228 H LEU 28 H LEU 28 8.940 -15.369 20.805 229 HA LEU 28 HA LEU 28 10.598 -14.535 18.671 230 HB2 LEU 28 HB2 LEU 28 11.799 -16.681 19.100 231 HB3 LEU 28 HB3 LEU 28 11.599 -15.645 20.511 232 HG LEU 28 HG LEU 28 9.453 -17.248 20.801 233 HD11 LEU 28 HD11 LEU 28 10.876 -19.551 20.369 234 HD12 LEU 28 HD12 LEU 28 11.237 -18.596 18.932 235 HD13 LEU 28 HD13 LEU 28 9.563 -18.947 19.359 236 HD21 LEU 28 HD21 LEU 28 11.079 -18.663 22.249 237 HD22 LEU 28 HD22 LEU 28 10.830 -16.960 22.635 238 HD23 LEU 28 HD23 LEU 28 12.277 -17.465 21.760 239 H SER 29 H SER 29 8.123 -17.011 18.971 240 HA SER 29 HA SER 29 8.632 -18.450 16.633 241 HB2 SER 29 HB2 SER 29 7.072 -19.491 17.990 242 HB3 SER 29 HB3 SER 29 6.206 -17.992 18.324 243 HG SER 29 HG SER 29 6.241 -19.236 15.779 244 H ALA 30 H ALA 30 6.281 -15.810 17.119 245 HA ALA 30 HA ALA 30 5.658 -15.570 14.359 246 HB1 ALA 30 HB1 ALA 30 4.584 -13.422 15.055 247 HB2 ALA 30 HB2 ALA 30 4.049 -14.838 15.960 248 HB3 ALA 30 HB3 ALA 30 5.197 -13.711 16.683 249 H GLU 31 H GLU 31 7.770 -13.724 16.536 250 HA GLU 31 HA GLU 31 8.556 -11.699 14.834 251 HB2 GLU 31 HB2 GLU 31 9.232 -11.635 17.124 252 HB3 GLU 31 HB3 GLU 31 10.101 -13.156 16.975 253 HG2 GLU 31 HG2 GLU 31 10.931 -10.864 15.273 254 HG3 GLU 31 HG3 GLU 31 11.363 -10.860 16.982 255 H LYS 32 H LYS 32 9.611 -15.039 14.934 256 HA LYS 32 HA LYS 32 11.815 -14.704 13.150 257 HB2 LYS 32 HB2 LYS 32 10.348 -17.022 14.326 258 HB3 LYS 32 HB3 LYS 32 11.366 -17.306 12.921 259 HG2 LYS 32 HG2 LYS 32 13.277 -16.350 14.126 260 HG3 LYS 32 HG3 LYS 32 12.249 -16.112 15.541 261 HD2 LYS 32 HD2 LYS 32 13.266 -18.123 16.038 262 HD3 LYS 32 HD3 LYS 32 11.772 -18.665 15.270 263 HE2 LYS 32 HE2 LYS 32 13.528 -19.953 14.332 264 HE3 LYS 32 HE3 LYS 32 13.055 -18.776 13.108 265 HZ1 LYS 32 HZ1 LYS 32 14.939 -17.405 13.754 266 HZ2 LYS 32 HZ2 LYS 32 15.453 -18.945 13.280 267 HZ3 LYS 32 HZ3 LYS 32 15.395 -18.541 14.921 268 H GLN 33 H GLN 33 8.411 -15.460 12.780 269 HA GLN 33 HA GLN 33 8.504 -16.327 10.095 270 HB2 GLN 33 HB2 GLN 33 6.411 -15.456 11.995 271 HB3 GLN 33 HB3 GLN 33 6.012 -15.298 10.289 272 HG2 GLN 33 HG2 GLN 33 6.849 -17.815 11.710 273 HG3 GLN 33 HG3 GLN 33 5.232 -17.414 11.134 274 HE21 GLN 33 HE21 GLN 33 7.470 -19.473 10.503 275 HE22 GLN 33 HE22 GLN 33 7.472 -19.512 8.776 276 H LEU 34 H LEU 34 7.787 -13.147 11.518 277 HA LEU 34 HA LEU 34 7.255 -11.730 9.207 278 HB2 LEU 34 HB2 LEU 34 7.471 -9.829 10.459 279 HB3 LEU 34 HB3 LEU 34 7.252 -11.037 11.724 280 HG LEU 34 HG LEU 34 9.913 -11.028 11.648 281 HD11 LEU 34 HD11 LEU 34 9.066 -8.396 10.496 282 HD12 LEU 34 HD12 LEU 34 10.359 -9.477 9.975 283 HD13 LEU 34 HD13 LEU 34 10.537 -8.541 11.459 284 HD21 LEU 34 HD21 LEU 34 8.733 -8.715 13.078 285 HD22 LEU 34 HD22 LEU 34 9.801 -9.989 13.667 286 HD23 LEU 34 HD23 LEU 34 8.082 -10.314 13.439 287 H GLN 35 H GLN 35 10.313 -12.830 10.468 288 HA GLN 35 HA GLN 35 11.943 -11.180 8.799 289 HB2 GLN 35 HB2 GLN 35 12.626 -13.755 10.230 290 HB3 GLN 35 HB3 GLN 35 13.784 -12.638 9.522 291 HG2 GLN 35 HG2 GLN 35 11.866 -11.783 11.660 292 HG3 GLN 35 HG3 GLN 35 13.418 -12.528 12.036 293 HE21 GLN 35 HE21 GLN 35 12.006 -9.693 12.022 294 HE22 GLN 35 HE22 GLN 35 13.304 -8.661 11.538 295 H TYR 36 H TYR 36 10.532 -14.379 8.531 296 HA TYR 36 HA TYR 36 12.012 -15.295 6.322 297 HB2 TYR 36 HB2 TYR 36 10.753 -16.898 7.539 298 HB3 TYR 36 HB3 TYR 36 9.263 -15.980 7.354 299 HD1 TYR 36 HD1 TYR 36 11.861 -17.260 4.982 300 HD2 TYR 36 HD2 TYR 36 7.740 -17.082 6.027 301 HE1 TYR 36 HE1 TYR 36 11.303 -18.581 2.983 302 HE2 TYR 36 HE2 TYR 36 7.171 -18.404 4.032 303 HH TYR 36 HH TYR 36 9.688 -19.499 1.774 304 H ILE 37 H ILE 37 8.770 -13.815 6.438 305 HA ILE 37 HA ILE 37 8.232 -13.714 3.738 306 HB ILE 37 HB ILE 37 7.515 -11.628 5.802 307 HG12 ILE 37 HG12 ILE 37 5.281 -13.172 5.226 308 HG13 ILE 37 HG13 ILE 37 6.591 -14.346 5.287 309 HG21 ILE 37 HG21 ILE 37 6.627 -12.088 2.985 310 HG22 ILE 37 HG22 ILE 37 5.526 -11.369 4.158 311 HG23 ILE 37 HG23 ILE 37 7.059 -10.580 3.791 312 HD11 ILE 37 HD11 ILE 37 6.191 -14.368 7.478 313 HD12 ILE 37 HD12 ILE 37 7.076 -12.843 7.506 314 HD13 ILE 37 HD13 ILE 37 5.314 -12.839 7.431 315 H ARG 38 H ARG 38 9.833 -11.196 5.688 316 HA ARG 38 HA ARG 38 10.377 -9.481 3.510 317 HB2 ARG 38 HB2 ARG 38 11.866 -8.306 5.035 318 HB3 ARG 38 HB3 ARG 38 10.368 -8.726 5.854 319 HG2 ARG 38 HG2 ARG 38 11.463 -10.594 6.951 320 HG3 ARG 38 HG3 ARG 38 12.963 -10.234 6.093 321 HD2 ARG 38 HD2 ARG 38 11.562 -8.362 7.999 322 HD3 ARG 38 HD3 ARG 38 12.943 -9.378 8.412 323 HE ARG 38 HE ARG 38 12.988 -6.907 6.958 324 HH11 ARG 38 HH11 ARG 38 14.626 -9.936 7.473 325 HH12 ARG 38 HH12 ARG 38 16.172 -9.334 6.974 326 HH21 ARG 38 HH21 ARG 38 15.019 -6.103 6.299 327 HH22 ARG 38 HH22 ARG 38 16.395 -7.154 6.308 328 H SER 39 H SER 39 12.132 -12.155 4.950 329 HA SER 39 HA SER 39 14.617 -11.705 3.693 330 HB2 SER 39 HB2 SER 39 14.696 -13.202 5.493 331 HB3 SER 39 HB3 SER 39 13.306 -14.120 4.914 332 HG SER 39 HG SER 39 15.248 -15.242 4.535 333 H VAL 40 H VAL 40 12.164 -14.174 2.901 334 HA VAL 40 HA VAL 40 13.218 -15.027 0.500 335 HB VAL 40 HB VAL 40 11.309 -16.111 1.628 336 HG11 VAL 40 HG11 VAL 40 9.049 -15.240 1.323 337 HG12 VAL 40 HG12 VAL 40 10.054 -14.098 2.216 338 HG13 VAL 40 HG13 VAL 40 9.700 -13.817 0.511 339 HG21 VAL 40 HG21 VAL 40 10.063 -15.661 -0.955 340 HG22 VAL 40 HG22 VAL 40 11.803 -15.915 -1.085 341 HG23 VAL 40 HG23 VAL 40 10.793 -17.124 -0.292 342 H LEU 41 H LEU 41 11.309 -12.166 1.175 343 HA LEU 41 HA LEU 41 10.484 -11.427 -1.351 344 HB2 LEU 41 HB2 LEU 41 10.282 -10.302 1.049 345 HB3 LEU 41 HB3 LEU 41 11.589 -9.307 0.410 346 HG LEU 41 HG LEU 41 8.800 -9.586 -0.702 347 HD11 LEU 41 HD11 LEU 41 8.980 -8.144 1.253 348 HD12 LEU 41 HD12 LEU 41 8.658 -7.199 -0.200 349 HD13 LEU 41 HD13 LEU 41 10.284 -7.242 0.481 350 HD21 LEU 41 HD21 LEU 41 9.745 -7.669 -2.205 351 HD22 LEU 41 HD22 LEU 41 10.010 -9.357 -2.645 352 HD23 LEU 41 HD23 LEU 41 11.296 -8.436 -1.864 353 H LEU 42 H LEU 42 13.653 -11.023 0.144 354 HA LEU 42 HA LEU 42 14.679 -9.709 -2.250 355 HB2 LEU 42 HB2 LEU 42 15.757 -10.206 0.498 356 HB3 LEU 42 HB3 LEU 42 16.836 -9.755 -0.820 357 HG LEU 42 HG LEU 42 16.282 -7.805 0.484 358 HD11 LEU 42 HD11 LEU 42 15.910 -6.406 -1.271 359 HD12 LEU 42 HD12 LEU 42 14.591 -7.382 -1.917 360 HD13 LEU 42 HD13 LEU 42 16.262 -7.886 -2.163 361 HD21 LEU 42 HD21 LEU 42 13.399 -8.016 -0.258 362 HD22 LEU 42 HD22 LEU 42 14.159 -7.128 1.063 363 HD23 LEU 42 HD23 LEU 42 14.000 -8.882 1.156 364 H ASP 43 H ASP 43 14.975 -12.719 -0.459 365 HA ASP 43 HA ASP 43 16.964 -13.740 -2.327 366 HB2 ASP 43 HB2 ASP 43 15.675 -15.242 -0.048 367 HB3 ASP 43 HB3 ASP 43 17.201 -15.598 -0.853 368 H ARG 44 H ARG 44 16.199 -14.406 -4.227 369 HA ARG 44 HA ARG 44 13.535 -15.317 -4.626 370 HB2 ARG 44 HB2 ARG 44 15.994 -15.380 -6.375 371 HB3 ARG 44 HB3 ARG 44 14.425 -15.969 -6.909 372 HG2 ARG 44 HG2 ARG 44 13.656 -13.567 -6.119 373 HG3 ARG 44 HG3 ARG 44 15.352 -13.194 -6.433 374 HD2 ARG 44 HD2 ARG 44 13.726 -14.682 -8.457 375 HD3 ARG 44 HD3 ARG 44 13.608 -12.927 -8.336 376 HE ARG 44 HE ARG 44 15.756 -14.426 -9.463 377 HH11 ARG 44 HH11 ARG 44 14.976 -11.490 -7.762 378 HH12 ARG 44 HH12 ARG 44 16.344 -10.620 -8.371 379 HH21 ARG 44 HH21 ARG 44 17.562 -13.290 -10.271 380 HH22 ARG 44 HH22 ARG 44 17.814 -11.644 -9.799 381 H SER 45 H SER 45 16.633 -16.911 -4.156 382 HA SER 45 HA SER 45 16.038 -19.492 -4.929 383 HB2 SER 45 HB2 SER 45 18.279 -18.955 -4.282 384 HB3 SER 45 HB3 SER 45 17.766 -18.492 -2.660 385 HG SER 45 HG SER 45 17.512 -20.574 -2.125 386 H LEU 46 H LEU 46 15.183 -17.819 -1.956 387 HA LEU 46 HA LEU 46 14.326 -19.926 -0.388 388 HB2 LEU 46 HB2 LEU 46 13.615 -17.059 -0.612 389 HB3 LEU 46 HB3 LEU 46 12.515 -18.089 0.302 390 HG LEU 46 HG LEU 46 14.194 -16.888 1.692 391 HD11 LEU 46 HD11 LEU 46 14.865 -19.752 2.006 392 HD12 LEU 46 HD12 LEU 46 13.157 -19.318 2.049 393 HD13 LEU 46 HD13 LEU 46 14.282 -18.584 3.191 394 HD21 LEU 46 HD21 LEU 46 16.439 -17.154 1.475 395 HD22 LEU 46 HD22 LEU 46 15.983 -17.406 -0.210 396 HD23 LEU 46 HD23 LEU 46 16.298 -18.792 0.837 397 H ASP 47 H ASP 47 12.352 -20.970 -0.075 398 HA ASP 47 HA ASP 47 10.935 -21.711 -2.358 399 HB2 ASP 47 HB2 ASP 47 10.390 -21.982 0.582 400 HB3 ASP 47 HB3 ASP 47 9.189 -22.505 -0.596 401 H ARG 48 H ARG 48 9.102 -21.016 -3.332 402 HA ARG 48 HA ARG 48 8.080 -18.416 -2.486 403 HB2 ARG 48 HB2 ARG 48 8.084 -19.964 -5.032 404 HB3 ARG 48 HB3 ARG 48 6.778 -18.815 -4.771 405 HG2 ARG 48 HG2 ARG 48 8.849 -17.253 -4.132 406 HG3 ARG 48 HG3 ARG 48 9.650 -18.346 -5.263 407 HD2 ARG 48 HD2 ARG 48 7.022 -17.294 -6.101 408 HD3 ARG 48 HD3 ARG 48 8.335 -16.121 -6.011 409 HE ARG 48 HE ARG 48 9.095 -18.483 -7.420 410 HH11 ARG 48 HH11 ARG 48 7.392 -15.461 -7.715 411 HH12 ARG 48 HH12 ARG 48 7.634 -15.342 -9.427 412 HH21 ARG 48 HH21 ARG 48 9.420 -18.337 -9.674 413 HH22 ARG 48 HH22 ARG 48 8.787 -16.979 -10.540 414 H SER 49 H SER 49 7.022 -21.730 -2.987 415 HA SER 49 HA SER 49 4.249 -21.249 -2.640 416 HB2 SER 49 HB2 SER 49 5.533 -23.344 -3.587 417 HB3 SER 49 HB3 SER 49 5.487 -23.876 -1.906 418 HG SER 49 HG SER 49 3.487 -23.776 -3.757 419 H ALA 50 H ALA 50 6.884 -21.973 -0.434 420 HA ALA 50 HA ALA 50 5.520 -22.675 1.857 421 HB1 ALA 50 HB1 ALA 50 7.510 -21.231 2.932 422 HB2 ALA 50 HB2 ALA 50 7.741 -22.838 2.241 423 HB3 ALA 50 HB3 ALA 50 8.123 -21.404 1.288 424 H LEU 51 H LEU 51 5.926 -19.502 0.420 425 HA LEU 51 HA LEU 51 5.234 -17.835 2.499 426 HB2 LEU 51 HB2 LEU 51 4.760 -17.713 -0.449 427 HB3 LEU 51 HB3 LEU 51 4.089 -16.467 0.602 428 HG LEU 51 HG LEU 51 6.171 -15.715 -0.379 429 HD11 LEU 51 HD11 LEU 51 7.382 -15.967 2.156 430 HD12 LEU 51 HD12 LEU 51 5.641 -15.879 2.417 431 HD13 LEU 51 HD13 LEU 51 6.462 -14.606 1.515 432 HD21 LEU 51 HD21 LEU 51 7.425 -18.108 0.964 433 HD22 LEU 51 HD22 LEU 51 8.284 -16.832 0.102 434 HD23 LEU 51 HD23 LEU 51 7.189 -17.904 -0.772 435 H HIS 52 H HIS 52 3.149 -19.837 0.500 436 HA HIS 52 HA HIS 52 0.731 -18.768 1.678 437 HB2 HIS 52 HB2 HIS 52 0.652 -19.443 -0.646 438 HB3 HIS 52 HB3 HIS 52 1.199 -21.065 -0.232 439 HD1 HIS 52 HD1 HIS 52 -0.842 -22.325 -1.024 440 HD2 HIS 52 HD2 HIS 52 -1.754 -19.287 1.658 441 HE1 HIS 52 HE1 HIS 52 -3.265 -22.653 -0.436 442 H ARG 53 H ARG 53 2.756 -21.624 1.979 443 HA ARG 53 HA ARG 53 1.022 -23.185 3.547 444 HB2 ARG 53 HB2 ARG 53 4.045 -23.145 3.577 445 HB3 ARG 53 HB3 ARG 53 3.023 -24.436 4.194 446 HG2 ARG 53 HG2 ARG 53 2.855 -23.581 1.332 447 HG3 ARG 53 HG3 ARG 53 4.099 -24.707 1.878 448 HD2 ARG 53 HD2 ARG 53 2.392 -26.219 2.716 449 HD3 ARG 53 HD3 ARG 53 1.130 -25.077 2.255 450 HE ARG 53 HE ARG 53 2.730 -25.774 0.020 451 HH11 ARG 53 HH11 ARG 53 0.203 -26.980 2.089 452 HH12 ARG 53 HH12 ARG 53 -0.465 -28.028 0.881 453 HH21 ARG 53 HH21 ARG 53 1.860 -27.150 -1.578 454 HH22 ARG 53 HH22 ARG 53 0.479 -28.124 -1.204 455 H LEU 54 H LEU 54 3.508 -20.823 4.445 456 HA LEU 54 HA LEU 54 3.522 -21.143 7.185 457 HB2 LEU 54 HB2 LEU 54 4.514 -19.049 7.330 458 HB3 LEU 54 HB3 LEU 54 4.922 -19.596 5.705 459 HG LEU 54 HG LEU 54 2.732 -18.196 5.116 460 HD11 LEU 54 HD11 LEU 54 2.022 -16.782 6.671 461 HD12 LEU 54 HD12 LEU 54 3.656 -16.181 6.949 462 HD13 LEU 54 HD13 LEU 54 3.078 -17.599 7.823 463 HD21 LEU 54 HD21 LEU 54 5.274 -17.970 4.491 464 HD22 LEU 54 HD22 LEU 54 5.203 -16.603 5.603 465 HD23 LEU 54 HD23 LEU 54 4.146 -16.648 4.191 466 H THR 55 H THR 55 2.265 -20.505 8.867 467 HA THR 55 HA THR 55 -0.144 -18.929 8.279 468 HB THR 55 HB THR 55 -0.229 -21.349 10.076 469 HG1 THR 55 HG1 THR 55 -1.056 -21.173 7.351 470 HG21 THR 55 HG21 THR 55 -2.088 -19.245 9.292 471 HG22 THR 55 HG22 THR 55 -2.175 -20.389 10.632 472 HG23 THR 55 HG23 THR 55 -2.735 -20.864 9.029 473 H LEU 56 H LEU 56 0.768 -17.140 9.306 474 HA LEU 56 HA LEU 56 1.166 -17.430 12.212 475 HB2 LEU 56 HB2 LEU 56 3.062 -16.635 10.538 476 HB3 LEU 56 HB3 LEU 56 2.250 -15.085 10.743 477 HG LEU 56 HG LEU 56 4.171 -15.313 12.237 478 HD11 LEU 56 HD11 LEU 56 1.673 -14.398 12.876 479 HD12 LEU 56 HD12 LEU 56 3.133 -14.145 13.833 480 HD13 LEU 56 HD13 LEU 56 2.041 -15.473 14.225 481 HD21 LEU 56 HD21 LEU 56 3.205 -17.095 14.187 482 HD22 LEU 56 HD22 LEU 56 4.633 -17.273 13.167 483 HD23 LEU 56 HD23 LEU 56 3.083 -17.929 12.638 484 H GLY 57 H GLY 57 -0.035 -16.205 13.556 485 HA2 GLY 57 HA2 GLY 57 -1.081 -13.948 13.855 486 HA3 GLY 57 HA3 GLY 57 -1.845 -14.235 12.299 487 H SER 58 H SER 58 -2.363 -17.054 12.851 488 HA SER 58 HA SER 58 -4.936 -16.837 13.930 489 HB2 SER 58 HB2 SER 58 -3.278 -19.365 13.810 490 HB3 SER 58 HB3 SER 58 -5.037 -19.241 13.808 491 HG SER 58 HG SER 58 -3.721 -19.480 11.711 492 H ILE 59 H ILE 59 -1.855 -17.533 15.426 493 HA ILE 59 HA ILE 59 -3.022 -18.342 17.939 494 HB ILE 59 HB ILE 59 -0.743 -18.446 18.776 495 HG12 ILE 59 HG12 ILE 59 0.037 -17.262 16.102 496 HG13 ILE 59 HG13 ILE 59 0.149 -16.452 17.661 497 HG21 ILE 59 HG21 ILE 59 -0.333 -19.615 16.104 498 HG22 ILE 59 HG22 ILE 59 -0.260 -20.366 17.697 499 HG23 ILE 59 HG23 ILE 59 -1.821 -20.082 16.927 500 HD11 ILE 59 HD11 ILE 59 2.314 -17.149 17.264 501 HD12 ILE 59 HD12 ILE 59 1.680 -18.419 18.311 502 HD13 ILE 59 HD13 ILE 59 1.800 -18.688 16.573 503 H ALA 60 H ALA 60 -1.728 -15.427 16.511 504 HA ALA 60 HA ALA 60 -1.570 -13.970 18.979 505 HB1 ALA 60 HB1 ALA 60 -1.133 -12.026 17.559 506 HB2 ALA 60 HB2 ALA 60 -0.124 -13.400 17.105 507 HB3 ALA 60 HB3 ALA 60 -1.533 -12.980 16.131 508 H VAL 61 H VAL 61 -3.928 -14.343 16.398 509 HA VAL 61 HA VAL 61 -5.640 -12.226 17.175 510 HB VAL 61 HB VAL 61 -5.748 -13.262 14.947 511 HG11 VAL 61 HG11 VAL 61 -5.370 -15.557 15.396 512 HG12 VAL 61 HG12 VAL 61 -6.752 -15.643 16.490 513 HG13 VAL 61 HG13 VAL 61 -7.010 -15.440 14.757 514 HG21 VAL 61 HG21 VAL 61 -7.991 -12.891 14.672 515 HG22 VAL 61 HG22 VAL 61 -8.431 -13.789 16.124 516 HG23 VAL 61 HG23 VAL 61 -7.754 -12.167 16.263 517 H LYS 62 H LYS 62 -5.178 -15.449 18.344 518 HA LYS 62 HA LYS 62 -7.656 -15.338 19.905 519 HB2 LYS 62 HB2 LYS 62 -7.048 -17.404 18.594 520 HB3 LYS 62 HB3 LYS 62 -5.695 -17.626 19.696 521 HG2 LYS 62 HG2 LYS 62 -7.057 -18.173 21.473 522 HG3 LYS 62 HG3 LYS 62 -8.461 -17.354 20.784 523 HD2 LYS 62 HD2 LYS 62 -8.812 -19.724 20.636 524 HD3 LYS 62 HD3 LYS 62 -8.530 -19.099 19.010 525 HE2 LYS 62 HE2 LYS 62 -6.275 -19.902 19.025 526 HE3 LYS 62 HE3 LYS 62 -6.387 -20.336 20.730 527 HZ1 LYS 62 HZ1 LYS 62 -8.312 -21.555 18.904 528 HZ2 LYS 62 HZ2 LYS 62 -7.563 -22.203 20.274 529 HZ3 LYS 62 HZ3 LYS 62 -6.713 -22.099 18.816 530 H GLU 63 H GLU 63 -4.183 -15.985 20.375 531 HA GLU 63 HA GLU 63 -4.349 -15.856 23.219 532 HB2 GLU 63 HB2 GLU 63 -1.913 -15.591 21.449 533 HB3 GLU 63 HB3 GLU 63 -1.912 -15.938 23.172 534 HG2 GLU 63 HG2 GLU 63 -3.321 -17.741 21.248 535 HG3 GLU 63 HG3 GLU 63 -1.583 -17.871 21.511 536 H PHE 64 H PHE 64 -2.947 -13.653 20.793 537 HA PHE 64 HA PHE 64 -2.844 -11.531 22.796 538 HB2 PHE 64 HB2 PHE 64 -1.865 -11.479 19.936 539 HB3 PHE 64 HB3 PHE 64 -1.499 -10.307 21.197 540 HD1 PHE 64 HD1 PHE 64 0.155 -12.442 19.364 541 HD2 PHE 64 HD2 PHE 64 -0.860 -12.017 23.475 542 HE1 PHE 64 HE1 PHE 64 2.148 -13.744 19.987 543 HE2 PHE 64 HE2 PHE 64 1.131 -13.317 24.105 544 HZ PHE 64 HZ PHE 64 2.639 -14.182 22.360 545 H ASP 65 H ASP 65 -5.410 -12.415 21.880 546 HA ASP 65 HA ASP 65 -6.478 -10.718 19.892 547 HB2 ASP 65 HB2 ASP 65 -7.467 -12.878 20.928 548 HB3 ASP 65 HB3 ASP 65 -8.106 -11.807 22.172 549 H GLU 66 H GLU 66 -6.799 -10.554 23.443 550 HA GLU 66 HA GLU 66 -7.455 -7.701 23.170 551 HB2 GLU 66 HB2 GLU 66 -8.000 -9.664 25.399 552 HB3 GLU 66 HB3 GLU 66 -8.298 -7.937 25.531 553 HG2 GLU 66 HG2 GLU 66 -9.550 -9.709 23.449 554 HG3 GLU 66 HG3 GLU 66 -10.306 -9.292 24.985 555 H THR 67 H THR 67 -5.371 -9.985 24.862 556 HA THR 67 HA THR 67 -4.089 -8.260 26.620 557 HB THR 67 HB THR 67 -2.072 -9.860 26.248 558 HG1 THR 67 HG1 THR 67 -4.046 -11.507 25.072 559 HG21 THR 67 HG21 THR 67 -4.711 -11.013 27.159 560 HG22 THR 67 HG22 THR 67 -3.688 -9.956 28.132 561 HG23 THR 67 HG23 THR 67 -3.101 -11.545 27.641 562 H ASP 68 H ASP 68 -3.533 -8.818 23.195 563 HA ASP 68 HA ASP 68 -2.146 -6.323 22.943 564 HB2 ASP 68 HB2 ASP 68 -0.468 -8.248 23.710 565 HB3 ASP 68 HB3 ASP 68 -0.486 -8.604 21.985 566 HA PRO 69 HA PRO 69 -4.523 -7.726 19.237 567 HB2 PRO 69 HB2 PRO 69 -5.746 -5.335 18.845 568 HB3 PRO 69 HB3 PRO 69 -6.378 -6.568 19.942 569 HG2 PRO 69 HG2 PRO 69 -4.773 -4.119 20.566 570 HG3 PRO 69 HG3 PRO 69 -6.186 -4.776 21.412 571 HD2 PRO 69 HD2 PRO 69 -3.655 -5.145 22.300 572 HD3 PRO 69 HD3 PRO 69 -4.936 -6.351 22.540 573 H GLU 70 H GLU 70 -2.589 -4.859 19.893 574 HA GLU 70 HA GLU 70 -2.251 -3.909 17.297 575 HB2 GLU 70 HB2 GLU 70 -0.474 -3.812 19.726 576 HB3 GLU 70 HB3 GLU 70 -0.010 -3.055 18.209 577 HG2 GLU 70 HG2 GLU 70 -2.664 -2.422 19.403 578 HG3 GLU 70 HG3 GLU 70 -1.210 -1.681 20.070 579 H LEU 71 H LEU 71 -0.629 -6.516 19.003 580 HA LEU 71 HA LEU 71 1.402 -6.924 17.044 581 HB2 LEU 71 HB2 LEU 71 0.327 -8.733 19.201 582 HB3 LEU 71 HB3 LEU 71 1.744 -9.088 18.215 583 HG LEU 71 HG LEU 71 1.439 -6.883 20.248 584 HD11 LEU 71 HD11 LEU 71 2.579 -9.569 20.252 585 HD12 LEU 71 HD12 LEU 71 2.119 -8.527 21.598 586 HD13 LEU 71 HD13 LEU 71 3.691 -8.325 20.825 587 HD21 LEU 71 HD21 LEU 71 3.707 -7.453 18.343 588 HD22 LEU 71 HD22 LEU 71 3.787 -6.339 19.707 589 HD23 LEU 71 HD23 LEU 71 2.684 -6.016 18.369 590 H SER 72 H SER 72 -1.521 -8.795 17.871 591 HA SER 72 HA SER 72 -1.370 -10.623 15.775 592 HB2 SER 72 HB2 SER 72 -2.886 -10.993 17.621 593 HB3 SER 72 HB3 SER 72 -3.793 -9.533 17.225 594 HG SER 72 HG SER 72 -4.936 -10.733 15.953 595 H ARG 73 H ARG 73 -2.922 -7.446 15.919 596 HA ARG 73 HA ARG 73 -4.178 -7.515 13.416 597 HB2 ARG 73 HB2 ARG 73 -4.598 -5.825 15.205 598 HB3 ARG 73 HB3 ARG 73 -3.051 -5.085 14.814 599 HG2 ARG 73 HG2 ARG 73 -4.460 -3.760 13.609 600 HG3 ARG 73 HG3 ARG 73 -4.071 -4.984 12.398 601 HD2 ARG 73 HD2 ARG 73 -6.139 -6.215 13.155 602 HD3 ARG 73 HD3 ARG 73 -6.550 -4.780 14.093 603 HE ARG 73 HE ARG 73 -6.873 -5.134 11.290 604 HH11 ARG 73 HH11 ARG 73 -6.135 -2.760 13.727 605 HH12 ARG 73 HH12 ARG 73 -6.724 -1.426 12.791 606 HH21 ARG 73 HH21 ARG 73 -7.652 -3.386 10.048 607 HH22 ARG 73 HH22 ARG 73 -7.587 -1.784 10.699 608 H ALA 74 H ALA 74 -0.894 -6.691 14.353 609 HA ALA 74 HA ALA 74 -0.166 -5.746 11.730 610 HB1 ALA 74 HB1 ALA 74 0.840 -5.096 14.043 611 HB2 ALA 74 HB2 ALA 74 1.844 -6.526 13.797 612 HB3 ALA 74 HB3 ALA 74 1.888 -5.206 12.628 613 H LEU 75 H LEU 75 0.130 -8.728 13.566 614 HA LEU 75 HA LEU 75 1.904 -10.023 11.756 615 HB2 LEU 75 HB2 LEU 75 0.264 -10.807 14.091 616 HB3 LEU 75 HB3 LEU 75 0.724 -12.091 12.975 617 HG LEU 75 HG LEU 75 2.276 -11.982 14.831 618 HD11 LEU 75 HD11 LEU 75 3.016 -12.446 12.424 619 HD12 LEU 75 HD12 LEU 75 4.263 -12.068 13.612 620 HD13 LEU 75 HD13 LEU 75 3.728 -10.833 12.472 621 HD21 LEU 75 HD21 LEU 75 3.782 -9.920 14.937 622 HD22 LEU 75 HD22 LEU 75 2.158 -9.777 15.609 623 HD23 LEU 75 HD23 LEU 75 2.518 -9.102 14.019 624 H LYS 76 H LYS 76 -1.589 -10.423 12.355 625 HA LYS 76 HA LYS 76 -2.164 -12.241 10.364 626 HB2 LYS 76 HB2 LYS 76 -4.441 -11.549 10.526 627 HB3 LYS 76 HB3 LYS 76 -3.737 -11.377 12.129 628 HG2 LYS 76 HG2 LYS 76 -3.493 -8.981 11.782 629 HG3 LYS 76 HG3 LYS 76 -4.161 -9.141 10.156 630 HD2 LYS 76 HD2 LYS 76 -5.859 -8.361 11.724 631 HD3 LYS 76 HD3 LYS 76 -6.264 -9.964 11.105 632 HE2 LYS 76 HE2 LYS 76 -5.943 -10.972 13.120 633 HE3 LYS 76 HE3 LYS 76 -4.687 -9.835 13.611 634 HZ1 LYS 76 HZ1 LYS 76 -6.714 -9.585 14.920 635 HZ2 LYS 76 HZ2 LYS 76 -7.595 -9.237 13.519 636 HZ3 LYS 76 HZ3 LYS 76 -6.379 -8.181 14.037 637 H ASP 77 H ASP 77 -1.643 -8.787 10.109 638 HA ASP 77 HA ASP 77 -2.443 -8.722 7.321 639 HB2 ASP 77 HB2 ASP 77 -2.889 -6.809 8.857 640 HB3 ASP 77 HB3 ASP 77 -1.151 -6.550 8.984 641 H ALA 78 H ALA 78 0.474 -8.911 9.219 642 HA ALA 78 HA ALA 78 2.353 -8.137 7.291 643 HB1 ALA 78 HB1 ALA 78 3.583 -8.378 9.128 644 HB2 ALA 78 HB2 ALA 78 2.383 -9.434 9.874 645 HB3 ALA 78 HB3 ALA 78 3.601 -10.110 8.793 646 H TYR 79 H TYR 79 1.409 -11.454 8.221 647 HA TYR 79 HA TYR 79 2.764 -12.673 6.054 648 HB2 TYR 79 HB2 TYR 79 2.044 -14.666 6.927 649 HB3 TYR 79 HB3 TYR 79 1.813 -13.641 8.340 650 HD1 TYR 79 HD1 TYR 79 0.221 -15.770 5.915 651 HD2 TYR 79 HD2 TYR 79 -0.498 -12.752 8.826 652 HE1 TYR 79 HE1 TYR 79 -2.154 -16.404 5.976 653 HE2 TYR 79 HE2 TYR 79 -2.875 -13.379 8.897 654 HH TYR 79 HH TYR 79 -4.065 -16.222 7.653 655 H TYR 80 H TYR 80 -0.457 -11.392 6.465 656 HA TYR 80 HA TYR 80 -1.845 -12.613 4.422 657 HB2 TYR 80 HB2 TYR 80 -2.997 -11.124 5.895 658 HB3 TYR 80 HB3 TYR 80 -1.974 -9.769 5.430 659 HD1 TYR 80 HD1 TYR 80 -4.714 -11.976 4.329 660 HD2 TYR 80 HD2 TYR 80 -2.434 -8.490 3.463 661 HE1 TYR 80 HE1 TYR 80 -6.349 -11.343 2.605 662 HE2 TYR 80 HE2 TYR 80 -4.064 -7.846 1.737 663 HH TYR 80 HH TYR 80 -6.521 -9.985 0.641 664 H VAL 81 H VAL 81 -0.029 -9.551 4.172 665 HA VAL 81 HA VAL 81 -0.274 -9.375 1.353 666 HB VAL 81 HB VAL 81 0.164 -7.389 2.681 667 HG11 VAL 81 HG11 VAL 81 1.533 -8.418 4.425 668 HG12 VAL 81 HG12 VAL 81 2.854 -8.622 3.272 669 HG13 VAL 81 HG13 VAL 81 2.330 -7.003 3.737 670 HG21 VAL 81 HG21 VAL 81 1.977 -6.419 1.346 671 HG22 VAL 81 HG22 VAL 81 2.452 -8.034 0.821 672 HG23 VAL 81 HG23 VAL 81 0.882 -7.381 0.352 673 H GLY 82 H GLY 82 2.130 -10.786 3.495 674 HA2 GLY 82 HA2 GLY 82 4.226 -11.148 1.687 675 HA3 GLY 82 HA3 GLY 82 3.909 -12.174 3.078 676 H ILE 83 H ILE 83 1.428 -13.225 2.337 677 HA ILE 83 HA ILE 83 2.122 -15.448 0.860 678 HB ILE 83 HB ILE 83 -0.627 -14.220 1.102 679 HG12 ILE 83 HG12 ILE 83 0.170 -16.587 2.693 680 HG13 ILE 83 HG13 ILE 83 0.930 -15.065 3.145 681 HG21 ILE 83 HG21 ILE 83 -0.685 -15.785 -0.681 682 HG22 ILE 83 HG22 ILE 83 0.276 -16.952 0.224 683 HG23 ILE 83 HG23 ILE 83 -1.376 -16.592 0.726 684 HD11 ILE 83 HD11 ILE 83 -1.910 -14.747 2.760 685 HD12 ILE 83 HD12 ILE 83 -1.546 -15.995 3.952 686 HD13 ILE 83 HD13 ILE 83 -0.908 -14.364 4.159 687 H ARG 84 H ARG 84 0.540 -12.479 -0.277 688 HA ARG 84 HA ARG 84 0.057 -13.194 -2.905 689 HB2 ARG 84 HB2 ARG 84 0.928 -10.484 -1.882 690 HB3 ARG 84 HB3 ARG 84 0.134 -10.794 -3.420 691 HG2 ARG 84 HG2 ARG 84 -1.153 -11.573 -0.832 692 HG3 ARG 84 HG3 ARG 84 -1.278 -9.930 -1.465 693 HD2 ARG 84 HD2 ARG 84 -3.162 -10.884 -2.366 694 HD3 ARG 84 HD3 ARG 84 -1.998 -11.159 -3.662 695 HE ARG 84 HE ARG 84 -1.926 -13.371 -1.968 696 HH11 ARG 84 HH11 ARG 84 -4.146 -11.800 -4.141 697 HH12 ARG 84 HH12 ARG 84 -4.986 -13.260 -4.547 698 HH21 ARG 84 HH21 ARG 84 -3.024 -15.300 -2.494 699 HH22 ARG 84 HH22 ARG 84 -4.347 -15.250 -3.609 700 H THR 85 H THR 85 3.038 -12.032 -1.422 701 HA THR 85 HA THR 85 4.520 -11.667 -3.787 702 HB THR 85 HB THR 85 5.774 -12.545 -1.198 703 HG1 THR 85 HG1 THR 85 4.520 -10.945 -0.436 704 HG21 THR 85 HG21 THR 85 6.585 -10.815 -3.519 705 HG22 THR 85 HG22 THR 85 7.397 -12.239 -2.866 706 HG23 THR 85 HG23 THR 85 7.411 -10.724 -1.964 707 H GLY 86 H GLY 86 3.912 -14.499 -1.789 708 HA2 GLY 86 HA2 GLY 86 5.862 -16.224 -2.776 709 HA3 GLY 86 HA3 GLY 86 4.292 -16.730 -2.169 710 H ARG 87 H ARG 87 2.794 -15.268 -4.191 711 HA ARG 87 HA ARG 87 3.219 -17.137 -6.409 712 HB2 ARG 87 HB2 ARG 87 0.999 -17.139 -5.344 713 HB3 ARG 87 HB3 ARG 87 0.812 -15.436 -5.737 714 HG2 ARG 87 HG2 ARG 87 0.695 -15.887 -8.056 715 HG3 ARG 87 HG3 ARG 87 1.228 -17.553 -7.827 716 HD2 ARG 87 HD2 ARG 87 -1.321 -16.462 -6.655 717 HD3 ARG 87 HD3 ARG 87 -1.242 -17.226 -8.243 718 HE ARG 87 HE ARG 87 -0.119 -18.852 -6.172 719 HH11 ARG 87 HH11 ARG 87 -3.084 -17.887 -7.720 720 HH12 ARG 87 HH12 ARG 87 -3.934 -19.333 -7.287 721 HH21 ARG 87 HH21 ARG 87 -1.227 -20.761 -5.596 722 HH22 ARG 87 HH22 ARG 87 -2.877 -20.967 -6.078 723 H GLY 88 H GLY 88 3.299 -13.776 -5.586 724 HA2 GLY 88 HA2 GLY 88 4.543 -12.228 -6.916 725 HA3 GLY 88 HA3 GLY 88 4.135 -13.174 -8.339 726 H LEU 89 H LEU 89 1.830 -12.208 -5.871 727 HA LEU 89 HA LEU 89 0.427 -10.628 -7.911 728 HB2 LEU 89 HB2 LEU 89 -0.420 -12.334 -5.666 729 HB3 LEU 89 HB3 LEU 89 -1.353 -10.855 -5.885 730 HG LEU 89 HG LEU 89 -2.401 -12.764 -6.993 731 HD11 LEU 89 HD11 LEU 89 -3.181 -11.266 -8.424 732 HD12 LEU 89 HD12 LEU 89 -1.757 -11.489 -9.440 733 HD13 LEU 89 HD13 LEU 89 -1.752 -10.263 -8.172 734 HD21 LEU 89 HD21 LEU 89 -1.359 -14.172 -8.417 735 HD22 LEU 89 HD22 LEU 89 0.080 -13.643 -7.544 736 HD23 LEU 89 HD23 LEU 89 -0.333 -12.906 -9.093 737 H LYS 90 H LYS 90 -1.027 -8.868 -6.781 738 HA LYS 90 HA LYS 90 0.720 -7.333 -4.969 739 HB2 LYS 90 HB2 LYS 90 0.296 -6.532 -7.420 740 HB3 LYS 90 HB3 LYS 90 -1.268 -6.026 -6.795 741 HG2 LYS 90 HG2 LYS 90 0.021 -4.116 -6.605 742 HG3 LYS 90 HG3 LYS 90 0.094 -4.806 -4.982 743 HD2 LYS 90 HD2 LYS 90 2.307 -4.186 -5.500 744 HD3 LYS 90 HD3 LYS 90 2.248 -5.936 -5.725 745 HE2 LYS 90 HE2 LYS 90 2.084 -5.681 -8.105 746 HE3 LYS 90 HE3 LYS 90 1.916 -3.933 -7.954 747 HZ1 LYS 90 HZ1 LYS 90 4.247 -5.306 -8.331 748 HZ2 LYS 90 HZ2 LYS 90 4.289 -4.895 -6.691 749 HZ3 LYS 90 HZ3 LYS 90 4.108 -3.687 -7.862 750 H VAL 91 H VAL 91 -0.326 -5.942 -3.436 751 HA VAL 91 HA VAL 91 -2.341 -7.110 -1.957 752 HB VAL 91 HB VAL 91 -2.663 -4.856 -0.903 753 HG11 VAL 91 HG11 VAL 91 -0.533 -4.835 0.167 754 HG12 VAL 91 HG12 VAL 91 -0.910 -6.514 -0.224 755 HG13 VAL 91 HG13 VAL 91 0.236 -5.612 -1.217 756 HG21 VAL 91 HG21 VAL 91 -2.306 -3.396 -2.751 757 HG22 VAL 91 HG22 VAL 91 -1.009 -3.098 -1.593 758 HG23 VAL 91 HG23 VAL 91 -0.697 -4.056 -3.041 759 H ASP 92 H ASP 92 -4.505 -7.154 -2.024 760 HA ASP 92 HA ASP 92 -5.857 -5.425 -3.992 761 HB2 ASP 92 HB2 ASP 92 -6.620 -8.252 -3.227 762 HB3 ASP 92 HB3 ASP 92 -7.442 -7.236 -4.409 763 H LEU 93 H LEU 93 -5.429 -4.781 -1.246 764 HA LEU 93 HA LEU 93 -7.826 -5.336 0.231 765 HB2 LEU 93 HB2 LEU 93 -5.363 -3.734 0.657 766 HB3 LEU 93 HB3 LEU 93 -6.787 -3.319 1.608 767 HG LEU 93 HG LEU 93 -6.295 -6.158 1.704 768 HD11 LEU 93 HD11 LEU 93 -4.015 -4.338 2.443 769 HD12 LEU 93 HD12 LEU 93 -3.989 -5.710 1.336 770 HD13 LEU 93 HD13 LEU 93 -4.200 -5.977 3.066 771 HD21 LEU 93 HD21 LEU 93 -6.050 -5.439 4.199 772 HD22 LEU 93 HD22 LEU 93 -7.614 -5.316 3.394 773 HD23 LEU 93 HD23 LEU 93 -6.615 -3.878 3.605 774 HA PRO 94 HA PRO 94 -10.430 -2.038 -1.031 775 HB2 PRO 94 HB2 PRO 94 -11.553 -1.247 1.311 776 HB3 PRO 94 HB3 PRO 94 -11.958 -2.775 0.519 777 HG2 PRO 94 HG2 PRO 94 -10.089 -2.261 2.800 778 HG3 PRO 94 HG3 PRO 94 -11.274 -3.564 2.597 779 HD2 PRO 94 HD2 PRO 94 -8.629 -3.916 2.136 780 HD3 PRO 94 HD3 PRO 94 -9.881 -4.788 1.229 Start of MODEL 3 1 H MET 1 H MET 1 2.539 0.800 1.446 2 HA MET 1 HA MET 1 1.348 -0.083 -1.089 3 HB2 MET 1 HB2 MET 1 3.109 1.169 -2.195 4 HB3 MET 1 HB3 MET 1 2.278 2.202 -1.040 5 HG2 MET 1 HG2 MET 1 4.102 1.857 0.561 6 HG3 MET 1 HG3 MET 1 4.939 0.859 -0.626 7 HE1 MET 1 HE1 MET 1 4.890 5.115 0.166 8 HE2 MET 1 HE2 MET 1 3.544 5.017 -0.969 9 HE3 MET 1 HE3 MET 1 3.554 4.006 0.476 10 H THR 2 H THR 2 4.081 -0.576 1.069 11 HA THR 2 HA THR 2 4.770 -2.995 -0.468 12 HB THR 2 HB THR 2 6.636 -1.646 -0.835 13 HG1 THR 2 HG1 THR 2 8.062 -2.980 -0.004 14 HG21 THR 2 HG21 THR 2 5.918 -0.491 1.765 15 HG22 THR 2 HG22 THR 2 6.652 0.266 0.352 16 HG23 THR 2 HG23 THR 2 7.653 -0.636 1.489 17 HA PRO 3 HA PRO 3 4.092 -5.269 3.235 18 HB2 PRO 3 HB2 PRO 3 5.699 -7.406 2.762 19 HB3 PRO 3 HB3 PRO 3 4.164 -7.153 1.922 20 HG2 PRO 3 HG2 PRO 3 6.949 -6.561 0.997 21 HG3 PRO 3 HG3 PRO 3 5.604 -7.292 0.101 22 HD2 PRO 3 HD2 PRO 3 6.293 -4.688 -0.173 23 HD3 PRO 3 HD3 PRO 3 4.617 -5.254 -0.328 24 H ILE 4 H ILE 4 7.408 -4.618 2.226 25 HA ILE 4 HA ILE 4 8.824 -5.424 4.450 26 HB ILE 4 HB ILE 4 9.814 -4.497 2.350 27 HG12 ILE 4 HG12 ILE 4 11.211 -2.838 4.265 28 HG13 ILE 4 HG13 ILE 4 10.760 -4.377 4.989 29 HG21 ILE 4 HG21 ILE 4 8.231 -2.367 2.722 30 HG22 ILE 4 HG22 ILE 4 9.721 -1.753 3.435 31 HG23 ILE 4 HG23 ILE 4 9.711 -2.315 1.764 32 HD11 ILE 4 HD11 ILE 4 13.021 -4.302 3.921 33 HD12 ILE 4 HD12 ILE 4 11.962 -5.592 3.350 34 HD13 ILE 4 HD13 ILE 4 12.204 -4.149 2.366 35 H GLU 5 H GLU 5 6.762 -2.635 4.056 36 HA GLU 5 HA GLU 5 7.641 -1.380 6.504 37 HB2 GLU 5 HB2 GLU 5 5.759 -0.737 4.318 38 HB3 GLU 5 HB3 GLU 5 5.332 -0.100 5.900 39 HG2 GLU 5 HG2 GLU 5 8.076 0.286 4.772 40 HG3 GLU 5 HG3 GLU 5 6.744 1.350 4.323 41 H TYR 6 H TYR 6 4.695 -3.024 5.379 42 HA TYR 6 HA TYR 6 3.165 -2.845 7.666 43 HB2 TYR 6 HB2 TYR 6 3.357 -4.994 5.564 44 HB3 TYR 6 HB3 TYR 6 2.203 -5.098 6.889 45 HD1 TYR 6 HD1 TYR 6 2.838 -3.779 3.637 46 HD2 TYR 6 HD2 TYR 6 0.554 -3.151 7.171 47 HE1 TYR 6 HE1 TYR 6 1.262 -2.383 2.364 48 HE2 TYR 6 HE2 TYR 6 -1.029 -1.755 5.908 49 HH TYR 6 HH TYR 6 -0.813 -0.298 3.666 50 H ILE 7 H ILE 7 5.826 -5.018 6.951 51 HA ILE 7 HA ILE 7 5.429 -6.521 9.404 52 HB ILE 7 HB ILE 7 7.394 -7.812 8.712 53 HG12 ILE 7 HG12 ILE 7 7.958 -7.136 6.131 54 HG13 ILE 7 HG13 ILE 7 7.683 -5.549 6.843 55 HG21 ILE 7 HG21 ILE 7 6.329 -8.284 6.253 56 HG22 ILE 7 HG22 ILE 7 5.698 -8.932 7.766 57 HG23 ILE 7 HG23 ILE 7 4.993 -7.474 7.070 58 HD11 ILE 7 HD11 ILE 7 9.618 -5.593 7.938 59 HD12 ILE 7 HD12 ILE 7 9.388 -7.260 8.467 60 HD13 ILE 7 HD13 ILE 7 10.041 -6.926 6.863 61 H ASP 8 H ASP 8 7.566 -4.057 8.108 62 HA ASP 8 HA ASP 8 9.565 -4.118 10.063 63 HB2 ASP 8 HB2 ASP 8 8.611 -2.177 8.050 64 HB3 ASP 8 HB3 ASP 8 9.492 -1.484 9.408 65 H ARG 9 H ARG 9 6.432 -2.503 10.005 66 HA ARG 9 HA ARG 9 6.811 -0.973 12.358 67 HB2 ARG 9 HB2 ARG 9 4.292 -0.842 12.347 68 HB3 ARG 9 HB3 ARG 9 5.079 -0.308 10.867 69 HG2 ARG 9 HG2 ARG 9 4.195 -1.974 9.634 70 HG3 ARG 9 HG3 ARG 9 4.285 -3.144 10.953 71 HD2 ARG 9 HD2 ARG 9 2.074 -2.898 11.127 72 HD3 ARG 9 HD3 ARG 9 2.422 -1.329 11.852 73 HE ARG 9 HE ARG 9 2.402 -0.761 9.223 74 HH11 ARG 9 HH11 ARG 9 0.174 -2.479 11.274 75 HH12 ARG 9 HH12 ARG 9 -1.222 -2.041 10.345 76 HH21 ARG 9 HH21 ARG 9 0.572 -0.179 7.992 77 HH22 ARG 9 HH22 ARG 9 -0.994 -0.734 8.478 78 H ALA 10 H ALA 10 5.676 -4.237 11.756 79 HA ALA 10 HA ALA 10 4.651 -4.715 14.364 80 HB1 ALA 10 HB1 ALA 10 5.681 -6.969 12.727 81 HB2 ALA 10 HB2 ALA 10 4.176 -6.822 13.637 82 HB3 ALA 10 HB3 ALA 10 4.347 -6.014 12.079 83 H LEU 11 H LEU 11 7.805 -5.108 12.862 84 HA LEU 11 HA LEU 11 8.997 -6.653 14.901 85 HB2 LEU 11 HB2 LEU 11 10.112 -6.622 12.847 86 HB3 LEU 11 HB3 LEU 11 10.068 -4.863 12.750 87 HG LEU 11 HG LEU 11 11.648 -6.070 14.954 88 HD11 LEU 11 HD11 LEU 11 12.581 -7.479 13.415 89 HD12 LEU 11 HD12 LEU 11 13.577 -6.045 13.169 90 HD13 LEU 11 HD13 LEU 11 12.253 -6.399 12.060 91 HD21 LEU 11 HD21 LEU 11 13.085 -4.107 13.630 92 HD22 LEU 11 HD22 LEU 11 12.136 -3.903 15.102 93 HD23 LEU 11 HD23 LEU 11 11.412 -3.558 13.531 94 H ALA 12 H ALA 12 8.439 -3.229 14.530 95 HA ALA 12 HA ALA 12 10.182 -2.492 16.712 96 HB1 ALA 12 HB1 ALA 12 8.122 -0.810 15.293 97 HB2 ALA 12 HB2 ALA 12 9.438 -0.236 16.318 98 HB3 ALA 12 HB3 ALA 12 9.795 -1.004 14.770 99 H LEU 13 H LEU 13 6.757 -3.062 16.202 100 HA LEU 13 HA LEU 13 5.929 -2.033 18.738 101 HB2 LEU 13 HB2 LEU 13 4.579 -3.813 16.722 102 HB3 LEU 13 HB3 LEU 13 3.802 -3.269 18.207 103 HG LEU 13 HG LEU 13 4.800 -1.449 16.017 104 HD11 LEU 13 HD11 LEU 13 2.348 -2.972 16.300 105 HD12 LEU 13 HD12 LEU 13 2.966 -2.067 14.919 106 HD13 LEU 13 HD13 LEU 13 2.052 -1.237 16.178 107 HD21 LEU 13 HD21 LEU 13 4.370 0.262 17.372 108 HD22 LEU 13 HD22 LEU 13 4.266 -0.907 18.688 109 HD23 LEU 13 HD23 LEU 13 2.805 -0.408 17.835 110 H VAL 14 H VAL 14 6.428 -5.303 17.438 111 HA VAL 14 HA VAL 14 5.678 -6.810 19.619 112 HB VAL 14 HB VAL 14 6.294 -7.842 17.510 113 HG11 VAL 14 HG11 VAL 14 8.457 -7.895 16.620 114 HG12 VAL 14 HG12 VAL 14 8.253 -6.228 17.164 115 HG13 VAL 14 HG13 VAL 14 9.190 -7.366 18.134 116 HG21 VAL 14 HG21 VAL 14 8.356 -9.149 19.071 117 HG22 VAL 14 HG22 VAL 14 6.919 -8.804 20.034 118 HG23 VAL 14 HG23 VAL 14 6.782 -9.752 18.553 119 H VAL 15 H VAL 15 8.718 -5.116 19.056 120 HA VAL 15 HA VAL 15 10.286 -6.160 21.076 121 HB VAL 15 HB VAL 15 10.176 -3.296 20.122 122 HG11 VAL 15 HG11 VAL 15 11.944 -4.704 22.040 123 HG12 VAL 15 HG12 VAL 15 12.702 -3.580 20.910 124 HG13 VAL 15 HG13 VAL 15 11.432 -3.017 21.997 125 HG21 VAL 15 HG21 VAL 15 10.787 -5.492 18.657 126 HG22 VAL 15 HG22 VAL 15 11.455 -3.886 18.366 127 HG23 VAL 15 HG23 VAL 15 12.373 -5.066 19.300 128 H ASP 16 H ASP 16 8.059 -3.389 21.275 129 HA ASP 16 HA ASP 16 8.449 -2.687 23.915 130 HB2 ASP 16 HB2 ASP 16 6.947 -1.608 22.098 131 HB3 ASP 16 HB3 ASP 16 5.697 -2.689 22.708 132 H ARG 17 H ARG 17 6.511 -5.300 22.582 133 HA ARG 17 HA ARG 17 5.351 -6.004 25.121 134 HB2 ARG 17 HB2 ARG 17 5.053 -6.811 22.342 135 HB3 ARG 17 HB3 ARG 17 5.060 -8.193 23.429 136 HG2 ARG 17 HG2 ARG 17 3.266 -5.793 23.718 137 HG3 ARG 17 HG3 ARG 17 2.801 -7.322 22.967 138 HD2 ARG 17 HD2 ARG 17 3.884 -7.204 25.764 139 HD3 ARG 17 HD3 ARG 17 2.174 -6.942 25.426 140 HE ARG 17 HE ARG 17 3.244 -9.360 24.286 141 HH11 ARG 17 HH11 ARG 17 1.773 -7.900 27.083 142 HH12 ARG 17 HH12 ARG 17 1.152 -9.396 27.699 143 HH21 ARG 17 HH21 ARG 17 2.431 -11.335 25.086 144 HH22 ARG 17 HH22 ARG 17 1.527 -11.349 26.562 145 H LEU 18 H LEU 18 8.048 -7.081 23.143 146 HA LEU 18 HA LEU 18 8.672 -9.492 24.325 147 HB2 LEU 18 HB2 LEU 18 10.067 -7.478 22.771 148 HB3 LEU 18 HB3 LEU 18 11.137 -8.294 23.908 149 HG LEU 18 HG LEU 18 11.147 -9.309 21.657 150 HD11 LEU 18 HD11 LEU 18 10.011 -11.566 22.962 151 HD12 LEU 18 HD12 LEU 18 10.871 -10.598 24.159 152 HD13 LEU 18 HD13 LEU 18 11.712 -11.168 22.718 153 HD21 LEU 18 HD21 LEU 18 9.252 -10.450 20.784 154 HD22 LEU 18 HD22 LEU 18 8.730 -8.816 21.197 155 HD23 LEU 18 HD23 LEU 18 8.324 -10.167 22.257 156 H ALA 19 H ALA 19 9.668 -6.241 25.354 157 HA ALA 19 HA ALA 19 11.302 -6.908 27.481 158 HB1 ALA 19 HB1 ALA 19 10.012 -4.661 28.389 159 HB2 ALA 19 HB2 ALA 19 11.420 -4.683 27.326 160 HB3 ALA 19 HB3 ALA 19 9.800 -4.557 26.641 161 H ARG 20 H ARG 20 7.787 -6.781 27.331 162 HA ARG 20 HA ARG 20 7.384 -7.133 30.135 163 HB2 ARG 20 HB2 ARG 20 5.636 -7.260 27.706 164 HB3 ARG 20 HB3 ARG 20 5.032 -7.869 29.242 165 HG2 ARG 20 HG2 ARG 20 6.206 -5.125 29.047 166 HG3 ARG 20 HG3 ARG 20 4.534 -5.432 28.576 167 HD2 ARG 20 HD2 ARG 20 4.115 -6.397 30.807 168 HD3 ARG 20 HD3 ARG 20 5.771 -6.003 31.267 169 HE ARG 20 HE ARG 20 4.670 -3.638 30.412 170 HH11 ARG 20 HH11 ARG 20 3.943 -6.003 32.861 171 HH12 ARG 20 HH12 ARG 20 3.224 -4.854 33.941 172 HH21 ARG 20 HH21 ARG 20 3.725 -2.117 31.824 173 HH22 ARG 20 HH22 ARG 20 3.100 -2.645 33.350 174 H TYR 21 H TYR 21 7.628 -9.285 27.367 175 HA TYR 21 HA TYR 21 7.643 -11.563 29.229 176 HB2 TYR 21 HB2 TYR 21 6.190 -11.291 26.611 177 HB3 TYR 21 HB3 TYR 21 6.647 -12.872 27.233 178 HD1 TYR 21 HD1 TYR 21 4.747 -9.798 28.115 179 HD2 TYR 21 HD2 TYR 21 5.295 -13.961 28.800 180 HE1 TYR 21 HE1 TYR 21 2.718 -9.830 29.504 181 HE2 TYR 21 HE2 TYR 21 3.266 -14.005 30.190 182 HH TYR 21 HH TYR 21 1.828 -12.609 31.392 183 HA PRO 22 HA PRO 22 11.515 -11.400 26.648 184 HB2 PRO 22 HB2 PRO 22 13.212 -11.741 28.739 185 HB3 PRO 22 HB3 PRO 22 12.627 -10.154 28.226 186 HG2 PRO 22 HG2 PRO 22 11.667 -11.893 30.466 187 HG3 PRO 22 HG3 PRO 22 11.938 -10.141 30.447 188 HD2 PRO 22 HD2 PRO 22 9.475 -11.237 30.199 189 HD3 PRO 22 HD3 PRO 22 9.927 -9.714 29.406 190 H GLY 23 H GLY 23 10.472 -13.484 25.975 191 HA2 GLY 23 HA2 GLY 23 11.875 -15.633 25.764 192 HA3 GLY 23 HA3 GLY 23 11.508 -15.797 27.475 193 H TYR 24 H TYR 24 9.344 -14.618 24.946 194 HA TYR 24 HA TYR 24 7.440 -16.705 25.690 195 HB2 TYR 24 HB2 TYR 24 7.127 -14.011 25.167 196 HB3 TYR 24 HB3 TYR 24 6.558 -14.769 23.684 197 HD1 TYR 24 HD1 TYR 24 4.260 -14.888 23.635 198 HD2 TYR 24 HD2 TYR 24 6.261 -15.617 27.318 199 HE1 TYR 24 HE1 TYR 24 2.099 -15.369 24.707 200 HE2 TYR 24 HE2 TYR 24 4.106 -16.102 28.400 201 HH TYR 24 HH TYR 24 1.381 -16.822 26.829 202 H GLU 25 H GLU 25 7.042 -18.416 24.451 203 HA GLU 25 HA GLU 25 8.550 -18.996 22.154 204 HB2 GLU 25 HB2 GLU 25 6.096 -20.234 23.371 205 HB3 GLU 25 HB3 GLU 25 6.760 -20.836 21.859 206 HG2 GLU 25 HG2 GLU 25 8.762 -21.510 22.879 207 HG3 GLU 25 HG3 GLU 25 8.430 -20.572 24.334 208 H VAL 26 H VAL 26 5.335 -17.641 22.571 209 HA VAL 26 HA VAL 26 4.616 -17.793 19.808 210 HB VAL 26 HB VAL 26 3.439 -15.981 21.918 211 HG11 VAL 26 HG11 VAL 26 1.536 -15.825 20.527 212 HG12 VAL 26 HG12 VAL 26 2.926 -15.559 19.473 213 HG13 VAL 26 HG13 VAL 26 2.105 -17.120 19.475 214 HG21 VAL 26 HG21 VAL 26 3.294 -18.173 22.802 215 HG22 VAL 26 HG22 VAL 26 1.713 -17.817 22.107 216 HG23 VAL 26 HG23 VAL 26 2.845 -18.852 21.237 217 H LEU 27 H LEU 27 6.087 -15.360 21.879 218 HA LEU 27 HA LEU 27 5.915 -13.193 20.079 219 HB2 LEU 27 HB2 LEU 27 7.733 -13.801 22.391 220 HB3 LEU 27 HB3 LEU 27 7.887 -12.321 21.447 221 HG LEU 27 HG LEU 27 5.466 -13.156 23.044 222 HD11 LEU 27 HD11 LEU 27 6.359 -12.117 24.787 223 HD12 LEU 27 HD12 LEU 27 6.701 -10.683 23.819 224 HD13 LEU 27 HD13 LEU 27 7.872 -12.001 23.887 225 HD21 LEU 27 HD21 LEU 27 4.863 -10.706 22.565 226 HD22 LEU 27 HD22 LEU 27 4.622 -11.889 21.278 227 HD23 LEU 27 HD23 LEU 27 6.028 -10.824 21.246 228 H LEU 28 H LEU 28 8.607 -15.415 20.798 229 HA LEU 28 HA LEU 28 10.355 -14.389 18.842 230 HB2 LEU 28 HB2 LEU 28 11.531 -16.580 19.100 231 HB3 LEU 28 HB3 LEU 28 11.264 -15.691 20.598 232 HG LEU 28 HG LEU 28 9.111 -17.288 20.649 233 HD11 LEU 28 HD11 LEU 28 10.474 -18.305 18.478 234 HD12 LEU 28 HD12 LEU 28 9.232 -19.137 19.413 235 HD13 LEU 28 HD13 LEU 28 10.936 -19.380 19.798 236 HD21 LEU 28 HD21 LEU 28 10.574 -17.133 22.495 237 HD22 LEU 28 HD22 LEU 28 11.916 -17.833 21.590 238 HD23 LEU 28 HD23 LEU 28 10.540 -18.838 22.048 239 H SER 29 H SER 29 7.879 -16.882 18.741 240 HA SER 29 HA SER 29 8.556 -17.937 16.202 241 HB2 SER 29 HB2 SER 29 7.159 -19.394 17.285 242 HB3 SER 29 HB3 SER 29 6.221 -18.105 18.038 243 HG SER 29 HG SER 29 5.282 -19.446 16.205 244 H ALA 30 H ALA 30 6.534 -15.265 17.245 245 HA ALA 30 HA ALA 30 5.462 -14.795 14.606 246 HB1 ALA 30 HB1 ALA 30 5.174 -13.496 17.274 247 HB2 ALA 30 HB2 ALA 30 4.709 -12.604 15.825 248 HB3 ALA 30 HB3 ALA 30 3.938 -14.146 16.197 249 H GLU 31 H GLU 31 8.023 -13.501 16.635 250 HA GLU 31 HA GLU 31 8.592 -11.276 14.921 251 HB2 GLU 31 HB2 GLU 31 9.170 -11.045 17.223 252 HB3 GLU 31 HB3 GLU 31 10.087 -12.545 17.212 253 HG2 GLU 31 HG2 GLU 31 11.848 -11.596 16.002 254 HG3 GLU 31 HG3 GLU 31 10.876 -10.211 15.507 255 H LYS 32 H LYS 32 9.717 -14.572 15.225 256 HA LYS 32 HA LYS 32 11.993 -14.249 13.519 257 HB2 LYS 32 HB2 LYS 32 12.285 -16.596 13.714 258 HB3 LYS 32 HB3 LYS 32 11.702 -16.044 15.279 259 HG2 LYS 32 HG2 LYS 32 9.469 -16.821 14.755 260 HG3 LYS 32 HG3 LYS 32 9.998 -17.310 13.143 261 HD2 LYS 32 HD2 LYS 32 11.355 -18.393 15.584 262 HD3 LYS 32 HD3 LYS 32 9.837 -19.094 15.017 263 HE2 LYS 32 HE2 LYS 32 11.251 -20.399 13.822 264 HE3 LYS 32 HE3 LYS 32 11.171 -19.040 12.702 265 HZ1 LYS 32 HZ1 LYS 32 13.415 -20.074 14.029 266 HZ2 LYS 32 HZ2 LYS 32 13.167 -18.492 14.573 267 HZ3 LYS 32 HZ3 LYS 32 13.346 -18.799 12.919 268 H GLN 33 H GLN 33 8.643 -15.202 13.087 269 HA GLN 33 HA GLN 33 8.873 -16.215 10.464 270 HB2 GLN 33 HB2 GLN 33 6.582 -15.109 12.063 271 HB3 GLN 33 HB3 GLN 33 6.369 -15.582 10.383 272 HG2 GLN 33 HG2 GLN 33 7.587 -17.496 12.319 273 HG3 GLN 33 HG3 GLN 33 5.840 -17.261 12.291 274 HE21 GLN 33 HE21 GLN 33 7.210 -19.668 11.680 275 HE22 GLN 33 HE22 GLN 33 6.879 -20.054 10.029 276 H LEU 34 H LEU 34 7.991 -12.994 11.677 277 HA LEU 34 HA LEU 34 7.440 -11.734 9.284 278 HB2 LEU 34 HB2 LEU 34 7.591 -9.750 10.420 279 HB3 LEU 34 HB3 LEU 34 7.365 -10.890 11.745 280 HG LEU 34 HG LEU 34 10.028 -10.820 11.733 281 HD11 LEU 34 HD11 LEU 34 11.002 -8.970 10.883 282 HD12 LEU 34 HD12 LEU 34 9.590 -7.955 11.176 283 HD13 LEU 34 HD13 LEU 34 9.628 -9.031 9.779 284 HD21 LEU 34 HD21 LEU 34 8.108 -10.029 13.420 285 HD22 LEU 34 HD22 LEU 34 8.796 -8.456 13.014 286 HD23 LEU 34 HD23 LEU 34 9.821 -9.718 13.700 287 H GLN 35 H GLN 35 10.524 -12.629 10.647 288 HA GLN 35 HA GLN 35 12.124 -11.020 8.925 289 HB2 GLN 35 HB2 GLN 35 12.853 -13.529 10.446 290 HB3 GLN 35 HB3 GLN 35 13.993 -12.409 9.710 291 HG2 GLN 35 HG2 GLN 35 12.069 -11.253 11.625 292 HG3 GLN 35 HG3 GLN 35 13.297 -12.330 12.290 293 HE21 GLN 35 HE21 GLN 35 12.664 -9.240 11.950 294 HE22 GLN 35 HE22 GLN 35 14.244 -8.590 11.697 295 H TYR 36 H TYR 36 10.817 -14.273 8.756 296 HA TYR 36 HA TYR 36 12.337 -15.190 6.568 297 HB2 TYR 36 HB2 TYR 36 11.181 -16.825 7.831 298 HB3 TYR 36 HB3 TYR 36 9.645 -15.982 7.668 299 HD1 TYR 36 HD1 TYR 36 12.222 -17.114 5.202 300 HD2 TYR 36 HD2 TYR 36 8.158 -17.258 6.454 301 HE1 TYR 36 HE1 TYR 36 11.675 -18.503 3.247 302 HE2 TYR 36 HE2 TYR 36 7.600 -18.648 4.504 303 HH TYR 36 HH TYR 36 9.825 -19.159 1.914 304 H ILE 37 H ILE 37 9.025 -13.874 6.670 305 HA ILE 37 HA ILE 37 8.460 -13.887 3.973 306 HB ILE 37 HB ILE 37 7.653 -11.781 5.983 307 HG12 ILE 37 HG12 ILE 37 5.518 -13.511 5.384 308 HG13 ILE 37 HG13 ILE 37 6.917 -14.552 5.627 309 HG21 ILE 37 HG21 ILE 37 5.619 -11.873 4.225 310 HG22 ILE 37 HG22 ILE 37 6.961 -10.736 4.106 311 HG23 ILE 37 HG23 ILE 37 6.972 -12.216 3.148 312 HD11 ILE 37 HD11 ILE 37 5.476 -12.825 7.546 313 HD12 ILE 37 HD12 ILE 37 6.183 -14.427 7.763 314 HD13 ILE 37 HD13 ILE 37 7.219 -13.000 7.753 315 H ARG 38 H ARG 38 9.970 -11.247 5.830 316 HA ARG 38 HA ARG 38 10.397 -9.567 3.597 317 HB2 ARG 38 HB2 ARG 38 11.837 -8.273 5.066 318 HB3 ARG 38 HB3 ARG 38 10.380 -8.754 5.925 319 HG2 ARG 38 HG2 ARG 38 11.594 -10.520 7.056 320 HG3 ARG 38 HG3 ARG 38 13.054 -10.119 6.149 321 HD2 ARG 38 HD2 ARG 38 11.611 -8.309 8.083 322 HD3 ARG 38 HD3 ARG 38 13.114 -9.174 8.402 323 HE ARG 38 HE ARG 38 12.821 -6.718 6.987 324 HH11 ARG 38 HH11 ARG 38 14.721 -9.629 7.177 325 HH12 ARG 38 HH12 ARG 38 16.142 -8.901 6.504 326 HH21 ARG 38 HH21 ARG 38 14.685 -5.748 6.099 327 HH22 ARG 38 HH22 ARG 38 16.121 -6.694 5.892 328 H SER 39 H SER 39 12.301 -12.105 5.094 329 HA SER 39 HA SER 39 14.742 -11.572 3.779 330 HB2 SER 39 HB2 SER 39 15.082 -13.017 5.532 331 HB3 SER 39 HB3 SER 39 13.573 -13.885 5.249 332 HG SER 39 HG SER 39 14.534 -15.117 3.767 333 H VAL 40 H VAL 40 12.382 -14.166 3.113 334 HA VAL 40 HA VAL 40 13.449 -15.058 0.726 335 HB VAL 40 HB VAL 40 11.615 -16.193 1.933 336 HG11 VAL 40 HG11 VAL 40 10.264 -14.221 2.452 337 HG12 VAL 40 HG12 VAL 40 9.871 -14.038 0.741 338 HG13 VAL 40 HG13 VAL 40 9.310 -15.455 1.629 339 HG21 VAL 40 HG21 VAL 40 10.277 -16.793 -0.125 340 HG22 VAL 40 HG22 VAL 40 11.208 -15.565 -0.983 341 HG23 VAL 40 HG23 VAL 40 12.027 -16.956 -0.272 342 H LEU 41 H LEU 41 11.404 -12.278 1.338 343 HA LEU 41 HA LEU 41 10.499 -11.670 -1.194 344 HB2 LEU 41 HB2 LEU 41 10.305 -10.470 1.180 345 HB3 LEU 41 HB3 LEU 41 11.520 -9.424 0.449 346 HG LEU 41 HG LEU 41 8.938 -9.991 -0.964 347 HD11 LEU 41 HD11 LEU 41 7.946 -9.152 0.903 348 HD12 LEU 41 HD12 LEU 41 8.384 -7.636 0.115 349 HD13 LEU 41 HD13 LEU 41 9.389 -8.276 1.415 350 HD21 LEU 41 HD21 LEU 41 11.268 -8.387 -1.417 351 HD22 LEU 41 HD22 LEU 41 9.846 -7.352 -1.285 352 HD23 LEU 41 HD23 LEU 41 9.878 -8.660 -2.469 353 H LEU 42 H LEU 42 13.679 -11.118 0.205 354 HA LEU 42 HA LEU 42 14.599 -9.756 -2.199 355 HB2 LEU 42 HB2 LEU 42 15.787 -10.313 0.491 356 HB3 LEU 42 HB3 LEU 42 16.812 -9.817 -0.854 357 HG LEU 42 HG LEU 42 16.285 -7.909 0.524 358 HD11 LEU 42 HD11 LEU 42 16.177 -7.921 -2.123 359 HD12 LEU 42 HD12 LEU 42 15.848 -6.468 -1.180 360 HD13 LEU 42 HD13 LEU 42 14.512 -7.434 -1.806 361 HD21 LEU 42 HD21 LEU 42 14.183 -8.805 1.471 362 HD22 LEU 42 HD22 LEU 42 13.382 -8.475 -0.066 363 HD23 LEU 42 HD23 LEU 42 14.029 -7.145 0.895 364 H ASP 43 H ASP 43 14.985 -12.817 -0.520 365 HA ASP 43 HA ASP 43 16.981 -13.760 -2.398 366 HB2 ASP 43 HB2 ASP 43 15.535 -15.303 -0.236 367 HB3 ASP 43 HB3 ASP 43 17.001 -15.794 -1.080 368 H ARG 44 H ARG 44 16.294 -14.242 -4.384 369 HA ARG 44 HA ARG 44 13.631 -15.146 -4.927 370 HB2 ARG 44 HB2 ARG 44 15.988 -15.203 -6.811 371 HB3 ARG 44 HB3 ARG 44 14.281 -15.167 -7.230 372 HG2 ARG 44 HG2 ARG 44 15.738 -12.942 -5.821 373 HG3 ARG 44 HG3 ARG 44 15.433 -13.006 -7.558 374 HD2 ARG 44 HD2 ARG 44 12.945 -13.377 -6.737 375 HD3 ARG 44 HD3 ARG 44 13.548 -12.544 -5.305 376 HE ARG 44 HE ARG 44 13.600 -10.598 -6.506 377 HH11 ARG 44 HH11 ARG 44 13.362 -13.286 -8.706 378 HH12 ARG 44 HH12 ARG 44 13.119 -12.289 -10.102 379 HH21 ARG 44 HH21 ARG 44 13.280 -9.276 -8.337 380 HH22 ARG 44 HH22 ARG 44 13.074 -10.008 -9.891 381 H SER 45 H SER 45 16.835 -16.647 -4.864 382 HA SER 45 HA SER 45 16.228 -19.142 -5.886 383 HB2 SER 45 HB2 SER 45 18.221 -18.220 -3.833 384 HB3 SER 45 HB3 SER 45 18.078 -19.931 -4.235 385 HG SER 45 HG SER 45 19.355 -18.019 -5.575 386 H LEU 46 H LEU 46 15.703 -17.881 -2.641 387 HA LEU 46 HA LEU 46 15.046 -20.238 -1.318 388 HB2 LEU 46 HB2 LEU 46 14.548 -17.371 -0.932 389 HB3 LEU 46 HB3 LEU 46 13.371 -18.433 -0.161 390 HG LEU 46 HG LEU 46 15.166 -17.759 1.369 391 HD11 LEU 46 HD11 LEU 46 15.505 -20.678 0.772 392 HD12 LEU 46 HD12 LEU 46 13.997 -20.033 1.420 393 HD13 LEU 46 HD13 LEU 46 15.495 -19.859 2.334 394 HD21 LEU 46 HD21 LEU 46 17.220 -19.459 0.215 395 HD22 LEU 46 HD22 LEU 46 17.333 -17.817 0.848 396 HD23 LEU 46 HD23 LEU 46 16.818 -18.087 -0.818 397 H ASP 47 H ASP 47 12.949 -21.067 -0.684 398 HA ASP 47 HA ASP 47 11.250 -21.524 -2.886 399 HB2 ASP 47 HB2 ASP 47 10.640 -21.974 0.043 400 HB3 ASP 47 HB3 ASP 47 9.835 -22.738 -1.325 401 H ARG 48 H ARG 48 9.033 -20.948 -3.166 402 HA ARG 48 HA ARG 48 8.366 -18.341 -1.968 403 HB2 ARG 48 HB2 ARG 48 7.549 -19.464 -4.655 404 HB3 ARG 48 HB3 ARG 48 7.053 -17.905 -4.010 405 HG2 ARG 48 HG2 ARG 48 9.451 -17.241 -3.946 406 HG3 ARG 48 HG3 ARG 48 9.837 -18.756 -4.767 407 HD2 ARG 48 HD2 ARG 48 7.980 -17.896 -6.443 408 HD3 ARG 48 HD3 ARG 48 8.457 -16.329 -5.791 409 HE ARG 48 HE ARG 48 10.679 -17.941 -6.631 410 HH11 ARG 48 HH11 ARG 48 8.240 -15.681 -7.663 411 HH12 ARG 48 HH12 ARG 48 9.146 -15.129 -9.033 412 HH21 ARG 48 HH21 ARG 48 11.881 -17.222 -8.431 413 HH22 ARG 48 HH22 ARG 48 11.217 -16.007 -9.470 414 H SER 49 H SER 49 7.146 -21.508 -2.879 415 HA SER 49 HA SER 49 4.438 -21.098 -2.254 416 HB2 SER 49 HB2 SER 49 6.093 -23.630 -2.165 417 HB3 SER 49 HB3 SER 49 4.334 -23.583 -2.053 418 HG SER 49 HG SER 49 4.255 -22.743 -4.129 419 H ALA 50 H ALA 50 7.207 -21.929 -0.267 420 HA ALA 50 HA ALA 50 5.998 -22.823 2.044 421 HB1 ALA 50 HB1 ALA 50 8.548 -21.550 1.369 422 HB2 ALA 50 HB2 ALA 50 8.041 -21.327 3.044 423 HB3 ALA 50 HB3 ALA 50 8.210 -22.953 2.383 424 H LEU 51 H LEU 51 6.292 -19.537 0.840 425 HA LEU 51 HA LEU 51 5.666 -18.061 3.081 426 HB2 LEU 51 HB2 LEU 51 5.007 -17.677 0.182 427 HB3 LEU 51 HB3 LEU 51 4.493 -16.509 1.397 428 HG LEU 51 HG LEU 51 7.377 -17.252 1.251 429 HD11 LEU 51 HD11 LEU 51 6.231 -15.112 -0.511 430 HD12 LEU 51 HD12 LEU 51 6.476 -16.760 -1.088 431 HD13 LEU 51 HD13 LEU 51 7.851 -15.809 -0.526 432 HD21 LEU 51 HD21 LEU 51 5.821 -15.441 2.701 433 HD22 LEU 51 HD22 LEU 51 6.707 -14.465 1.529 434 HD23 LEU 51 HD23 LEU 51 7.581 -15.526 2.635 435 H HIS 52 H HIS 52 3.532 -19.916 0.997 436 HA HIS 52 HA HIS 52 1.144 -18.976 2.333 437 HB2 HIS 52 HB2 HIS 52 0.934 -19.457 -0.007 438 HB3 HIS 52 HB3 HIS 52 1.610 -21.070 0.206 439 HD1 HIS 52 HD1 HIS 52 -0.294 -22.551 -0.410 440 HD2 HIS 52 HD2 HIS 52 -1.432 -19.541 2.218 441 HE1 HIS 52 HE1 HIS 52 -2.676 -23.066 0.212 442 H ARG 53 H ARG 53 3.213 -21.815 2.355 443 HA ARG 53 HA ARG 53 1.553 -23.519 3.848 444 HB2 ARG 53 HB2 ARG 53 4.479 -23.377 3.285 445 HB3 ARG 53 HB3 ARG 53 3.930 -24.443 4.572 446 HG2 ARG 53 HG2 ARG 53 3.957 -25.855 2.760 447 HG3 ARG 53 HG3 ARG 53 2.274 -25.326 2.778 448 HD2 ARG 53 HD2 ARG 53 2.577 -23.898 0.962 449 HD3 ARG 53 HD3 ARG 53 4.328 -23.860 1.165 450 HE ARG 53 HE ARG 53 4.476 -25.734 -0.133 451 HH11 ARG 53 HH11 ARG 53 1.197 -25.392 0.984 452 HH12 ARG 53 HH12 ARG 53 0.591 -26.689 0.008 453 HH21 ARG 53 HH21 ARG 53 3.691 -27.444 -1.422 454 HH22 ARG 53 HH22 ARG 53 2.011 -27.856 -1.359 455 H LEU 54 H LEU 54 4.018 -21.181 4.855 456 HA LEU 54 HA LEU 54 4.119 -21.705 7.561 457 HB2 LEU 54 HB2 LEU 54 5.075 -19.609 7.835 458 HB3 LEU 54 HB3 LEU 54 5.441 -20.018 6.161 459 HG LEU 54 HG LEU 54 3.206 -18.626 5.750 460 HD11 LEU 54 HD11 LEU 54 4.173 -16.768 7.741 461 HD12 LEU 54 HD12 LEU 54 3.573 -18.255 8.476 462 HD13 LEU 54 HD13 LEU 54 2.529 -17.315 7.410 463 HD21 LEU 54 HD21 LEU 54 5.715 -18.291 5.063 464 HD22 LEU 54 HD22 LEU 54 5.663 -17.027 6.293 465 HD23 LEU 54 HD23 LEU 54 4.558 -16.968 4.919 466 H THR 55 H THR 55 2.819 -21.389 9.267 467 HA THR 55 HA THR 55 0.226 -20.087 8.768 468 HB THR 55 HB THR 55 0.845 -22.017 11.005 469 HG1 THR 55 HG1 THR 55 -0.362 -22.575 8.481 470 HG21 THR 55 HG21 THR 55 -1.115 -20.575 11.326 471 HG22 THR 55 HG22 THR 55 -1.586 -22.260 11.100 472 HG23 THR 55 HG23 THR 55 -1.760 -21.109 9.775 473 H LEU 56 H LEU 56 1.249 -18.004 9.182 474 HA LEU 56 HA LEU 56 1.740 -17.518 12.044 475 HB2 LEU 56 HB2 LEU 56 3.675 -17.004 10.717 476 HB3 LEU 56 HB3 LEU 56 2.708 -16.035 9.608 477 HG LEU 56 HG LEU 56 2.263 -14.493 11.581 478 HD11 LEU 56 HD11 LEU 56 4.760 -15.420 12.832 479 HD12 LEU 56 HD12 LEU 56 3.351 -16.452 13.077 480 HD13 LEU 56 HD13 LEU 56 3.297 -14.757 13.561 481 HD21 LEU 56 HD21 LEU 56 4.549 -14.754 9.852 482 HD22 LEU 56 HD22 LEU 56 5.005 -13.989 11.375 483 HD23 LEU 56 HD23 LEU 56 3.711 -13.299 10.394 484 H GLY 57 H GLY 57 0.768 -15.743 13.051 485 HA2 GLY 57 HA2 GLY 57 -0.602 -13.794 13.069 486 HA3 GLY 57 HA3 GLY 57 -1.231 -14.258 11.495 487 H SER 58 H SER 58 -1.709 -17.027 12.276 488 HA SER 58 HA SER 58 -4.358 -16.763 13.196 489 HB2 SER 58 HB2 SER 58 -2.520 -19.103 12.779 490 HB3 SER 58 HB3 SER 58 -4.101 -19.334 13.525 491 HG SER 58 HG SER 58 -5.065 -18.865 11.675 492 H ILE 59 H ILE 59 -1.336 -17.348 14.840 493 HA ILE 59 HA ILE 59 -2.612 -18.057 17.339 494 HB ILE 59 HB ILE 59 -0.373 -18.170 18.266 495 HG12 ILE 59 HG12 ILE 59 0.531 -17.086 15.589 496 HG13 ILE 59 HG13 ILE 59 0.605 -16.235 17.128 497 HG21 ILE 59 HG21 ILE 59 -0.433 -19.412 15.520 498 HG22 ILE 59 HG22 ILE 59 0.523 -19.951 16.900 499 HG23 ILE 59 HG23 ILE 59 -1.236 -20.067 16.947 500 HD11 ILE 59 HD11 ILE 59 2.752 -16.968 16.954 501 HD12 ILE 59 HD12 ILE 59 2.036 -18.321 17.831 502 HD13 ILE 59 HD13 ILE 59 2.299 -18.438 16.091 503 H ALA 60 H ALA 60 -1.194 -15.234 15.838 504 HA ALA 60 HA ALA 60 -1.126 -13.671 18.247 505 HB1 ALA 60 HB1 ALA 60 0.458 -13.087 16.596 506 HB2 ALA 60 HB2 ALA 60 -0.777 -12.979 15.341 507 HB3 ALA 60 HB3 ALA 60 -0.718 -11.774 16.627 508 H VAL 61 H VAL 61 -3.347 -14.100 15.554 509 HA VAL 61 HA VAL 61 -5.042 -11.912 16.120 510 HB VAL 61 HB VAL 61 -5.049 -13.130 13.963 511 HG11 VAL 61 HG11 VAL 61 -6.368 -15.292 15.597 512 HG12 VAL 61 HG12 VAL 61 -6.378 -15.237 13.833 513 HG13 VAL 61 HG13 VAL 61 -4.852 -15.399 14.703 514 HG21 VAL 61 HG21 VAL 61 -7.811 -13.523 14.442 515 HG22 VAL 61 HG22 VAL 61 -7.286 -12.167 15.441 516 HG23 VAL 61 HG23 VAL 61 -7.017 -12.135 13.698 517 H LYS 62 H LYS 62 -4.729 -15.067 17.510 518 HA LYS 62 HA LYS 62 -7.265 -14.774 18.952 519 HB2 LYS 62 HB2 LYS 62 -6.397 -16.948 17.731 520 HB3 LYS 62 HB3 LYS 62 -5.508 -17.175 19.232 521 HG2 LYS 62 HG2 LYS 62 -7.590 -17.116 20.491 522 HG3 LYS 62 HG3 LYS 62 -8.494 -16.852 18.998 523 HD2 LYS 62 HD2 LYS 62 -7.628 -19.019 18.151 524 HD3 LYS 62 HD3 LYS 62 -6.858 -19.285 19.718 525 HE2 LYS 62 HE2 LYS 62 -9.816 -18.880 19.283 526 HE3 LYS 62 HE3 LYS 62 -9.031 -20.444 19.495 527 HZ1 LYS 62 HZ1 LYS 62 -10.045 -19.519 21.545 528 HZ2 LYS 62 HZ2 LYS 62 -8.917 -18.259 21.499 529 HZ3 LYS 62 HZ3 LYS 62 -8.394 -19.856 21.696 530 H GLU 63 H GLU 63 -3.868 -15.629 19.628 531 HA GLU 63 HA GLU 63 -4.129 -15.310 22.439 532 HB2 GLU 63 HB2 GLU 63 -1.605 -15.226 20.778 533 HB3 GLU 63 HB3 GLU 63 -1.711 -15.527 22.507 534 HG2 GLU 63 HG2 GLU 63 -2.923 -17.300 20.401 535 HG3 GLU 63 HG3 GLU 63 -1.343 -17.560 21.139 536 H PHE 64 H PHE 64 -2.585 -13.288 19.945 537 HA PHE 64 HA PHE 64 -2.417 -11.081 21.850 538 HB2 PHE 64 HB2 PHE 64 -1.381 -11.265 19.013 539 HB3 PHE 64 HB3 PHE 64 -1.038 -9.974 20.161 540 HD1 PHE 64 HD1 PHE 64 0.670 -12.256 18.599 541 HD2 PHE 64 HD2 PHE 64 -0.509 -11.492 22.617 542 HE1 PHE 64 HE1 PHE 64 2.630 -13.504 19.408 543 HE2 PHE 64 HE2 PHE 64 1.450 -12.739 23.432 544 HZ PHE 64 HZ PHE 64 3.023 -13.746 21.827 545 H ASP 65 H ASP 65 -5.006 -11.902 20.937 546 HA ASP 65 HA ASP 65 -5.943 -10.178 18.878 547 HB2 ASP 65 HB2 ASP 65 -7.003 -12.355 19.838 548 HB3 ASP 65 HB3 ASP 65 -7.719 -11.278 21.034 549 H GLU 66 H GLU 66 -6.424 -10.096 22.413 550 HA GLU 66 HA GLU 66 -7.060 -7.236 22.181 551 HB2 GLU 66 HB2 GLU 66 -7.648 -9.207 24.395 552 HB3 GLU 66 HB3 GLU 66 -8.025 -7.492 24.465 553 HG2 GLU 66 HG2 GLU 66 -9.161 -9.511 22.547 554 HG3 GLU 66 HG3 GLU 66 -9.999 -8.730 23.886 555 H THR 67 H THR 67 -4.988 -9.555 23.814 556 HA THR 67 HA THR 67 -3.774 -7.860 25.672 557 HB THR 67 HB THR 67 -1.755 -9.469 25.337 558 HG1 THR 67 HG1 THR 67 -2.106 -11.191 24.063 559 HG21 THR 67 HG21 THR 67 -2.834 -11.161 26.685 560 HG22 THR 67 HG22 THR 67 -4.426 -10.604 26.170 561 HG23 THR 67 HG23 THR 67 -3.414 -9.572 27.179 562 H ASP 68 H ASP 68 -2.712 -8.712 22.380 563 HA ASP 68 HA ASP 68 -1.318 -6.140 22.235 564 HB2 ASP 68 HB2 ASP 68 0.016 -8.606 21.157 565 HB3 ASP 68 HB3 ASP 68 0.727 -7.041 21.541 566 HA PRO 69 HA PRO 69 -3.905 -6.972 18.495 567 HB2 PRO 69 HB2 PRO 69 -4.889 -4.446 18.343 568 HB3 PRO 69 HB3 PRO 69 -5.619 -5.704 19.349 569 HG2 PRO 69 HG2 PRO 69 -3.765 -3.489 20.135 570 HG3 PRO 69 HG3 PRO 69 -5.220 -4.076 20.961 571 HD2 PRO 69 HD2 PRO 69 -2.721 -4.769 21.742 572 HD3 PRO 69 HD3 PRO 69 -4.112 -5.859 21.914 573 H GLU 70 H GLU 70 -1.716 -4.335 19.332 574 HA GLU 70 HA GLU 70 -1.328 -3.266 16.777 575 HB2 GLU 70 HB2 GLU 70 0.319 -3.327 19.278 576 HB3 GLU 70 HB3 GLU 70 1.014 -2.687 17.796 577 HG2 GLU 70 HG2 GLU 70 -0.759 -1.039 17.647 578 HG3 GLU 70 HG3 GLU 70 -1.518 -1.703 19.092 579 H LEU 71 H LEU 71 0.110 -6.046 18.366 580 HA LEU 71 HA LEU 71 2.026 -6.477 16.241 581 HB2 LEU 71 HB2 LEU 71 1.359 -8.510 18.327 582 HB3 LEU 71 HB3 LEU 71 2.900 -8.187 17.536 583 HG LEU 71 HG LEU 71 1.601 -6.482 19.660 584 HD11 LEU 71 HD11 LEU 71 3.697 -8.591 19.689 585 HD12 LEU 71 HD12 LEU 71 2.435 -8.234 20.866 586 HD13 LEU 71 HD13 LEU 71 3.869 -7.212 20.774 587 HD21 LEU 71 HD21 LEU 71 2.796 -5.002 18.282 588 HD22 LEU 71 HD22 LEU 71 4.112 -6.152 18.042 589 HD23 LEU 71 HD23 LEU 71 3.893 -5.375 19.612 590 H SER 72 H SER 72 -1.033 -7.847 17.332 591 HA SER 72 HA SER 72 -1.075 -10.061 15.584 592 HB2 SER 72 HB2 SER 72 -2.613 -10.229 17.326 593 HB3 SER 72 HB3 SER 72 -3.167 -8.566 17.130 594 HG SER 72 HG SER 72 -4.759 -9.729 16.234 595 H ARG 73 H ARG 73 -2.500 -6.816 15.311 596 HA ARG 73 HA ARG 73 -3.716 -7.172 12.814 597 HB2 ARG 73 HB2 ARG 73 -4.012 -5.249 14.471 598 HB3 ARG 73 HB3 ARG 73 -2.550 -4.565 13.773 599 HG2 ARG 73 HG2 ARG 73 -3.592 -4.383 11.621 600 HG3 ARG 73 HG3 ARG 73 -5.022 -5.243 12.196 601 HD2 ARG 73 HD2 ARG 73 -4.133 -2.735 13.559 602 HD3 ARG 73 HD3 ARG 73 -5.036 -2.641 12.048 603 HE ARG 73 HE ARG 73 -6.469 -4.342 13.669 604 HH11 ARG 73 HH11 ARG 73 -5.377 -1.039 13.808 605 HH12 ARG 73 HH12 ARG 73 -6.710 -0.503 14.777 606 HH21 ARG 73 HH21 ARG 73 -8.227 -3.648 14.945 607 HH22 ARG 73 HH22 ARG 73 -8.330 -1.988 15.424 608 H ALA 74 H ALA 74 -0.433 -6.279 13.697 609 HA ALA 74 HA ALA 74 0.361 -5.648 11.009 610 HB1 ALA 74 HB1 ALA 74 2.264 -6.288 13.235 611 HB2 ALA 74 HB2 ALA 74 2.471 -5.179 11.878 612 HB3 ALA 74 HB3 ALA 74 1.376 -4.764 13.197 613 H LEU 75 H LEU 75 0.529 -8.452 13.122 614 HA LEU 75 HA LEU 75 2.265 -9.976 11.454 615 HB2 LEU 75 HB2 LEU 75 0.704 -10.396 13.899 616 HB3 LEU 75 HB3 LEU 75 0.884 -11.834 12.896 617 HG LEU 75 HG LEU 75 2.592 -11.763 14.619 618 HD11 LEU 75 HD11 LEU 75 4.356 -11.139 12.407 619 HD12 LEU 75 HD12 LEU 75 3.010 -12.166 11.914 620 HD13 LEU 75 HD13 LEU 75 4.070 -12.674 13.229 621 HD21 LEU 75 HD21 LEU 75 3.263 -9.741 15.286 622 HD22 LEU 75 HD22 LEU 75 2.785 -8.984 13.766 623 HD23 LEU 75 HD23 LEU 75 4.354 -9.779 13.900 624 H LYS 76 H LYS 76 -1.241 -10.191 12.076 625 HA LYS 76 HA LYS 76 -1.877 -12.175 10.268 626 HB2 LYS 76 HB2 LYS 76 -4.133 -11.367 10.334 627 HB3 LYS 76 HB3 LYS 76 -3.430 -11.129 11.928 628 HG2 LYS 76 HG2 LYS 76 -3.056 -8.770 11.412 629 HG3 LYS 76 HG3 LYS 76 -3.766 -9.010 9.814 630 HD2 LYS 76 HD2 LYS 76 -5.395 -8.045 11.345 631 HD3 LYS 76 HD3 LYS 76 -5.883 -9.671 10.861 632 HE2 LYS 76 HE2 LYS 76 -5.302 -10.583 12.941 633 HE3 LYS 76 HE3 LYS 76 -4.330 -9.180 13.383 634 HZ1 LYS 76 HZ1 LYS 76 -6.525 -7.917 13.284 635 HZ2 LYS 76 HZ2 LYS 76 -6.276 -8.943 14.605 636 HZ3 LYS 76 HZ3 LYS 76 -7.272 -9.434 13.329 637 H ASP 77 H ASP 77 -1.263 -8.773 9.686 638 HA ASP 77 HA ASP 77 -2.046 -8.962 6.899 639 HB2 ASP 77 HB2 ASP 77 -2.281 -6.903 8.492 640 HB3 ASP 77 HB3 ASP 77 -0.595 -6.615 8.075 641 H ALA 78 H ALA 78 0.839 -9.092 8.828 642 HA ALA 78 HA ALA 78 2.767 -8.505 6.884 643 HB1 ALA 78 HB1 ALA 78 3.919 -8.648 8.788 644 HB2 ALA 78 HB2 ALA 78 2.720 -9.707 9.532 645 HB3 ALA 78 HB3 ALA 78 3.973 -10.386 8.493 646 H TYR 79 H TYR 79 1.693 -11.724 7.999 647 HA TYR 79 HA TYR 79 3.037 -13.129 5.947 648 HB2 TYR 79 HB2 TYR 79 2.172 -15.039 6.893 649 HB3 TYR 79 HB3 TYR 79 2.013 -13.929 8.249 650 HD1 TYR 79 HD1 TYR 79 0.229 -15.870 5.728 651 HD2 TYR 79 HD2 TYR 79 -0.184 -13.062 8.896 652 HE1 TYR 79 HE1 TYR 79 -2.183 -16.339 5.820 653 HE2 TYR 79 HE2 TYR 79 -2.598 -13.523 8.998 654 HH TYR 79 HH TYR 79 -4.363 -14.531 6.998 655 H TYR 80 H TYR 80 -0.134 -11.688 6.183 656 HA TYR 80 HA TYR 80 -1.490 -12.978 4.146 657 HB2 TYR 80 HB2 TYR 80 -2.507 -11.315 5.666 658 HB3 TYR 80 HB3 TYR 80 -1.631 -10.035 4.835 659 HD1 TYR 80 HD1 TYR 80 -4.184 -12.685 4.321 660 HD2 TYR 80 HD2 TYR 80 -2.529 -9.025 2.919 661 HE1 TYR 80 HE1 TYR 80 -6.037 -12.469 2.717 662 HE2 TYR 80 HE2 TYR 80 -4.378 -8.797 1.312 663 HH TYR 80 HH TYR 80 -6.742 -11.359 0.857 664 H VAL 81 H VAL 81 0.245 -9.875 3.820 665 HA VAL 81 HA VAL 81 0.118 -9.723 1.039 666 HB VAL 81 HB VAL 81 2.104 -8.201 1.220 667 HG11 VAL 81 HG11 VAL 81 0.549 -7.021 3.301 668 HG12 VAL 81 HG12 VAL 81 0.570 -6.637 1.579 669 HG13 VAL 81 HG13 VAL 81 -0.526 -7.874 2.194 670 HG21 VAL 81 HG21 VAL 81 2.893 -7.607 3.466 671 HG22 VAL 81 HG22 VAL 81 1.891 -8.887 4.152 672 HG23 VAL 81 HG23 VAL 81 3.231 -9.294 3.080 673 H GLY 82 H GLY 82 2.414 -11.358 3.142 674 HA2 GLY 82 HA2 GLY 82 4.482 -11.878 1.376 675 HA3 GLY 82 HA3 GLY 82 4.005 -12.949 2.685 676 H ILE 83 H ILE 83 1.486 -13.726 1.833 677 HA ILE 83 HA ILE 83 2.143 -15.766 -0.017 678 HB ILE 83 HB ILE 83 -0.620 -14.873 0.810 679 HG12 ILE 83 HG12 ILE 83 1.132 -16.991 2.072 680 HG13 ILE 83 HG13 ILE 83 0.893 -15.378 2.735 681 HG21 ILE 83 HG21 ILE 83 0.426 -17.454 -0.339 682 HG22 ILE 83 HG22 ILE 83 -1.192 -17.247 0.329 683 HG23 ILE 83 HG23 ILE 83 -0.701 -16.327 -1.093 684 HD11 ILE 83 HD11 ILE 83 -1.147 -17.559 2.420 685 HD12 ILE 83 HD12 ILE 83 -0.537 -16.845 3.914 686 HD13 ILE 83 HD13 ILE 83 -1.557 -15.894 2.834 687 H ARG 84 H ARG 84 0.499 -12.670 -0.320 688 HA ARG 84 HA ARG 84 -0.498 -13.035 -2.933 689 HB2 ARG 84 HB2 ARG 84 0.328 -10.394 -1.732 690 HB3 ARG 84 HB3 ARG 84 -0.906 -10.686 -2.951 691 HG2 ARG 84 HG2 ARG 84 -1.915 -12.170 -0.978 692 HG3 ARG 84 HG3 ARG 84 -1.026 -10.988 -0.015 693 HD2 ARG 84 HD2 ARG 84 -2.924 -9.788 -0.224 694 HD3 ARG 84 HD3 ARG 84 -2.228 -9.352 -1.784 695 HE ARG 84 HE ARG 84 -3.612 -11.580 -2.373 696 HH11 ARG 84 HH11 ARG 84 -4.462 -8.674 -0.656 697 HH12 ARG 84 HH12 ARG 84 -6.133 -8.737 -1.112 698 HH21 ARG 84 HH21 ARG 84 -5.809 -11.675 -2.980 699 HH22 ARG 84 HH22 ARG 84 -6.898 -10.445 -2.433 700 H THR 85 H THR 85 2.591 -11.909 -1.692 701 HA THR 85 HA THR 85 3.564 -11.159 -4.309 702 HB THR 85 HB THR 85 5.188 -11.461 -1.780 703 HG1 THR 85 HG1 THR 85 4.782 -9.110 -1.670 704 HG21 THR 85 HG21 THR 85 5.601 -9.775 -4.254 705 HG22 THR 85 HG22 THR 85 6.469 -11.261 -3.867 706 HG23 THR 85 HG23 THR 85 6.664 -9.835 -2.848 707 H GLY 86 H GLY 86 3.883 -13.864 -2.083 708 HA2 GLY 86 HA2 GLY 86 5.985 -15.154 -3.540 709 HA3 GLY 86 HA3 GLY 86 5.007 -15.871 -2.267 710 H ARG 87 H ARG 87 2.470 -15.379 -3.536 711 HA ARG 87 HA ARG 87 2.584 -17.531 -5.516 712 HB2 ARG 87 HB2 ARG 87 1.048 -17.824 -3.628 713 HB3 ARG 87 HB3 ARG 87 0.227 -16.329 -4.054 714 HG2 ARG 87 HG2 ARG 87 -0.694 -17.257 -5.999 715 HG3 ARG 87 HG3 ARG 87 0.411 -18.633 -5.964 716 HD2 ARG 87 HD2 ARG 87 -1.553 -18.139 -3.751 717 HD3 ARG 87 HD3 ARG 87 -2.017 -19.005 -5.215 718 HE ARG 87 HE ARG 87 0.353 -20.063 -4.010 719 HH11 ARG 87 HH11 ARG 87 -3.126 -20.076 -3.892 720 HH12 ARG 87 HH12 ARG 87 -3.226 -21.646 -3.166 721 HH21 ARG 87 HH21 ARG 87 0.235 -22.130 -3.054 722 HH22 ARG 87 HH22 ARG 87 -1.313 -22.813 -2.689 723 H GLY 88 H GLY 88 1.927 -14.147 -5.207 724 HA2 GLY 88 HA2 GLY 88 1.891 -12.621 -6.989 725 HA3 GLY 88 HA3 GLY 88 1.624 -13.958 -8.099 726 H LEU 89 H LEU 89 -0.265 -13.395 -5.193 727 HA LEU 89 HA LEU 89 -2.699 -13.429 -6.709 728 HB2 LEU 89 HB2 LEU 89 -2.092 -14.183 -4.212 729 HB3 LEU 89 HB3 LEU 89 -2.721 -12.571 -3.877 730 HG LEU 89 HG LEU 89 -4.842 -13.187 -4.947 731 HD11 LEU 89 HD11 LEU 89 -3.295 -15.347 -5.958 732 HD12 LEU 89 HD12 LEU 89 -4.962 -14.910 -6.332 733 HD13 LEU 89 HD13 LEU 89 -4.617 -16.007 -4.995 734 HD21 LEU 89 HD21 LEU 89 -5.213 -15.245 -3.241 735 HD22 LEU 89 HD22 LEU 89 -5.188 -13.551 -2.752 736 HD23 LEU 89 HD23 LEU 89 -3.738 -14.541 -2.578 737 H LYS 90 H LYS 90 -4.345 -11.765 -6.604 738 HA LYS 90 HA LYS 90 -3.261 -9.171 -7.145 739 HB2 LYS 90 HB2 LYS 90 -5.338 -10.342 -8.189 740 HB3 LYS 90 HB3 LYS 90 -6.190 -9.719 -6.782 741 HG2 LYS 90 HG2 LYS 90 -5.540 -7.445 -7.390 742 HG3 LYS 90 HG3 LYS 90 -4.681 -8.069 -8.800 743 HD2 LYS 90 HD2 LYS 90 -6.776 -8.949 -9.695 744 HD3 LYS 90 HD3 LYS 90 -7.640 -8.355 -8.275 745 HE2 LYS 90 HE2 LYS 90 -6.092 -6.595 -10.170 746 HE3 LYS 90 HE3 LYS 90 -7.824 -6.896 -10.298 747 HZ1 LYS 90 HZ1 LYS 90 -7.860 -5.017 -9.056 748 HZ2 LYS 90 HZ2 LYS 90 -6.354 -5.303 -8.341 749 HZ3 LYS 90 HZ3 LYS 90 -7.723 -6.132 -7.791 750 H VAL 91 H VAL 91 -2.433 -8.160 -5.387 751 HA VAL 91 HA VAL 91 -3.568 -8.237 -2.796 752 HB VAL 91 HB VAL 91 -1.183 -7.689 -3.268 753 HG11 VAL 91 HG11 VAL 91 -0.496 -5.800 -4.323 754 HG12 VAL 91 HG12 VAL 91 -2.063 -5.976 -5.115 755 HG13 VAL 91 HG13 VAL 91 -1.876 -4.854 -3.767 756 HG21 VAL 91 HG21 VAL 91 -0.988 -5.959 -1.533 757 HG22 VAL 91 HG22 VAL 91 -2.718 -5.644 -1.664 758 HG23 VAL 91 HG23 VAL 91 -2.148 -7.211 -1.089 759 H ASP 92 H ASP 92 -5.005 -6.943 -1.787 760 HA ASP 92 HA ASP 92 -5.732 -4.352 -2.717 761 HB2 ASP 92 HB2 ASP 92 -8.078 -4.864 -3.311 762 HB3 ASP 92 HB3 ASP 92 -6.931 -5.613 -4.418 763 H LEU 93 H LEU 93 -5.928 -3.365 -0.824 764 HA LEU 93 HA LEU 93 -7.474 -4.703 1.299 765 HB2 LEU 93 HB2 LEU 93 -4.902 -3.218 1.381 766 HB3 LEU 93 HB3 LEU 93 -5.997 -3.048 2.751 767 HG LEU 93 HG LEU 93 -5.957 -5.692 2.654 768 HD11 LEU 93 HD11 LEU 93 -3.639 -4.830 1.028 769 HD12 LEU 93 HD12 LEU 93 -4.603 -6.304 0.942 770 HD13 LEU 93 HD13 LEU 93 -3.372 -6.128 2.193 771 HD21 LEU 93 HD21 LEU 93 -5.333 -4.676 4.644 772 HD22 LEU 93 HD22 LEU 93 -4.011 -3.783 3.892 773 HD23 LEU 93 HD23 LEU 93 -3.862 -5.521 4.159 774 HA PRO 94 HA PRO 94 -10.127 -1.217 1.534 775 HB2 PRO 94 HB2 PRO 94 -10.544 -0.974 4.205 776 HB3 PRO 94 HB3 PRO 94 -11.230 -2.288 3.241 777 HG2 PRO 94 HG2 PRO 94 -8.798 -2.289 4.987 778 HG3 PRO 94 HG3 PRO 94 -10.067 -3.519 4.834 779 HD2 PRO 94 HD2 PRO 94 -7.662 -3.748 3.611 780 HD3 PRO 94 HD3 PRO 94 -9.156 -4.401 2.909 Start of MODEL 4 1 H MET 1 H MET 1 3.791 -0.795 -0.635 2 HA MET 1 HA MET 1 3.816 -1.504 -3.495 3 HB2 MET 1 HB2 MET 1 6.090 -0.328 -3.460 4 HB3 MET 1 HB3 MET 1 4.657 0.686 -3.354 5 HG2 MET 1 HG2 MET 1 5.678 -0.147 -0.756 6 HG3 MET 1 HG3 MET 1 6.829 0.799 -1.698 7 HE1 MET 1 HE1 MET 1 5.300 3.725 -2.779 8 HE2 MET 1 HE2 MET 1 6.168 4.090 -1.288 9 HE3 MET 1 HE3 MET 1 6.772 2.840 -2.377 10 H THR 2 H THR 2 5.317 -2.020 -0.360 11 HA THR 2 HA THR 2 6.370 -4.568 -1.327 12 HB THR 2 HB THR 2 8.347 -3.354 -1.593 13 HG1 THR 2 HG1 THR 2 9.655 -4.205 -0.010 14 HG21 THR 2 HG21 THR 2 7.792 -1.228 -0.715 15 HG22 THR 2 HG22 THR 2 9.172 -1.785 0.232 16 HG23 THR 2 HG23 THR 2 7.545 -1.877 0.905 17 HA PRO 3 HA PRO 3 4.888 -6.013 2.555 18 HB2 PRO 3 HB2 PRO 3 6.413 -8.243 2.823 19 HB3 PRO 3 HB3 PRO 3 5.074 -8.128 1.676 20 HG2 PRO 3 HG2 PRO 3 8.012 -7.812 1.196 21 HG3 PRO 3 HG3 PRO 3 6.806 -8.676 0.224 22 HD2 PRO 3 HD2 PRO 3 7.699 -6.202 -0.423 23 HD3 PRO 3 HD3 PRO 3 6.045 -6.744 -0.777 24 H ILE 4 H ILE 4 8.369 -5.676 2.083 25 HA ILE 4 HA ILE 4 9.303 -6.042 4.651 26 HB ILE 4 HB ILE 4 10.720 -5.608 2.642 27 HG12 ILE 4 HG12 ILE 4 11.637 -3.604 4.628 28 HG13 ILE 4 HG13 ILE 4 11.294 -5.216 5.246 29 HG21 ILE 4 HG21 ILE 4 9.237 -3.409 2.255 30 HG22 ILE 4 HG22 ILE 4 10.609 -2.693 3.098 31 HG23 ILE 4 HG23 ILE 4 10.866 -3.601 1.609 32 HD11 ILE 4 HD11 ILE 4 12.794 -6.011 3.296 33 HD12 ILE 4 HD12 ILE 4 13.370 -4.344 3.292 34 HD13 ILE 4 HD13 ILE 4 13.536 -5.331 4.743 35 H GLU 5 H GLU 5 7.583 -3.308 3.306 36 HA GLU 5 HA GLU 5 8.103 -1.548 5.504 37 HB2 GLU 5 HB2 GLU 5 6.574 -1.467 2.998 38 HB3 GLU 5 HB3 GLU 5 5.841 -0.559 4.313 39 HG2 GLU 5 HG2 GLU 5 8.636 -0.213 3.253 40 HG3 GLU 5 HG3 GLU 5 7.268 0.864 2.975 41 H TYR 6 H TYR 6 5.477 -3.718 4.584 42 HA TYR 6 HA TYR 6 3.707 -2.944 6.664 43 HB2 TYR 6 HB2 TYR 6 3.862 -5.423 4.947 44 HB3 TYR 6 HB3 TYR 6 2.585 -5.152 6.128 45 HD1 TYR 6 HD1 TYR 6 3.846 -4.322 2.835 46 HD2 TYR 6 HD2 TYR 6 0.993 -3.269 5.810 47 HE1 TYR 6 HE1 TYR 6 2.576 -3.048 1.157 48 HE2 TYR 6 HE2 TYR 6 -0.286 -1.993 4.140 49 HH TYR 6 HH TYR 6 -0.417 -2.234 1.345 50 H ILE 7 H ILE 7 5.945 -5.683 6.301 51 HA ILE 7 HA ILE 7 5.414 -6.818 8.836 52 HB ILE 7 HB ILE 7 7.498 -8.084 8.514 53 HG12 ILE 7 HG12 ILE 7 8.365 -7.551 5.977 54 HG13 ILE 7 HG13 ILE 7 7.980 -5.935 6.559 55 HG21 ILE 7 HG21 ILE 7 5.435 -7.884 6.386 56 HG22 ILE 7 HG22 ILE 7 6.835 -8.915 6.096 57 HG23 ILE 7 HG23 ILE 7 5.797 -9.211 7.490 58 HD11 ILE 7 HD11 ILE 7 10.064 -5.973 7.356 59 HD12 ILE 7 HD12 ILE 7 9.375 -6.946 8.656 60 HD13 ILE 7 HD13 ILE 7 10.164 -7.733 7.289 61 H ASP 8 H ASP 8 7.698 -4.394 7.719 62 HA ASP 8 HA ASP 8 9.413 -4.286 9.905 63 HB2 ASP 8 HB2 ASP 8 9.989 -3.041 7.963 64 HB3 ASP 8 HB3 ASP 8 8.473 -2.144 8.001 65 H ARG 9 H ARG 9 6.238 -2.830 9.439 66 HA ARG 9 HA ARG 9 6.216 -1.152 11.681 67 HB2 ARG 9 HB2 ARG 9 4.205 -2.320 9.867 68 HB3 ARG 9 HB3 ARG 9 3.603 -1.875 11.459 69 HG2 ARG 9 HG2 ARG 9 3.275 0.114 10.466 70 HG3 ARG 9 HG3 ARG 9 4.979 0.349 10.858 71 HD2 ARG 9 HD2 ARG 9 5.652 -0.255 8.659 72 HD3 ARG 9 HD3 ARG 9 4.033 -0.825 8.253 73 HE ARG 9 HE ARG 9 4.140 1.958 8.967 74 HH11 ARG 9 HH11 ARG 9 4.470 -0.355 6.386 75 HH12 ARG 9 HH12 ARG 9 4.112 0.792 5.137 76 HH21 ARG 9 HH21 ARG 9 3.667 3.477 7.332 77 HH22 ARG 9 HH22 ARG 9 3.656 2.971 5.677 78 H ALA 10 H ALA 10 5.236 -4.539 11.318 79 HA ALA 10 HA ALA 10 4.227 -4.919 13.905 80 HB1 ALA 10 HB1 ALA 10 4.466 -7.289 13.487 81 HB2 ALA 10 HB2 ALA 10 3.873 -6.483 12.034 82 HB3 ALA 10 HB3 ALA 10 5.565 -6.969 12.145 83 H LEU 11 H LEU 11 7.501 -5.286 12.609 84 HA LEU 11 HA LEU 11 8.765 -6.463 14.760 85 HB2 LEU 11 HB2 LEU 11 9.980 -6.172 12.761 86 HB3 LEU 11 HB3 LEU 11 9.717 -4.429 12.765 87 HG LEU 11 HG LEU 11 11.273 -5.584 15.015 88 HD11 LEU 11 HD11 LEU 11 12.619 -6.688 13.593 89 HD12 LEU 11 HD12 LEU 11 13.259 -5.080 13.256 90 HD13 LEU 11 HD13 LEU 11 12.050 -5.789 12.186 91 HD21 LEU 11 HD21 LEU 11 12.587 -3.403 14.123 92 HD22 LEU 11 HD22 LEU 11 11.273 -3.350 15.298 93 HD23 LEU 11 HD23 LEU 11 10.947 -3.026 13.594 94 H ALA 12 H ALA 12 7.829 -3.105 14.310 95 HA ALA 12 HA ALA 12 9.246 -2.012 16.487 96 HB1 ALA 12 HB1 ALA 12 7.752 -0.973 14.481 97 HB2 ALA 12 HB2 ALA 12 6.662 -0.766 15.853 98 HB3 ALA 12 HB3 ALA 12 8.281 -0.069 15.900 99 H LEU 13 H LEU 13 5.893 -3.174 16.223 100 HA LEU 13 HA LEU 13 5.246 -2.675 18.941 101 HB2 LEU 13 HB2 LEU 13 3.967 -4.602 17.008 102 HB3 LEU 13 HB3 LEU 13 3.264 -4.026 18.518 103 HG LEU 13 HG LEU 13 3.958 -2.146 16.279 104 HD11 LEU 13 HD11 LEU 13 2.070 -4.204 16.105 105 HD12 LEU 13 HD12 LEU 13 2.234 -2.801 15.050 106 HD13 LEU 13 HD13 LEU 13 1.153 -2.736 16.442 107 HD21 LEU 13 HD21 LEU 13 2.599 -2.001 18.882 108 HD22 LEU 13 HD22 LEU 13 1.787 -1.163 17.560 109 HD23 LEU 13 HD23 LEU 13 3.453 -0.754 17.972 110 H VAL 14 H VAL 14 6.530 -5.451 17.211 111 HA VAL 14 HA VAL 14 6.208 -7.398 19.197 112 HB VAL 14 HB VAL 14 8.412 -7.173 17.141 113 HG11 VAL 14 HG11 VAL 14 7.996 -9.838 17.607 114 HG12 VAL 14 HG12 VAL 14 9.308 -8.874 18.289 115 HG13 VAL 14 HG13 VAL 14 7.833 -9.143 19.220 116 HG21 VAL 14 HG21 VAL 14 6.253 -9.105 16.731 117 HG22 VAL 14 HG22 VAL 14 5.731 -7.421 16.680 118 HG23 VAL 14 HG23 VAL 14 7.003 -7.984 15.595 119 H VAL 15 H VAL 15 8.982 -5.271 18.520 120 HA VAL 15 HA VAL 15 10.728 -6.149 20.464 121 HB VAL 15 HB VAL 15 10.303 -3.293 19.573 122 HG11 VAL 15 HG11 VAL 15 12.945 -3.527 20.162 123 HG12 VAL 15 HG12 VAL 15 11.729 -2.864 21.255 124 HG13 VAL 15 HG13 VAL 15 12.221 -4.552 21.401 125 HG21 VAL 15 HG21 VAL 15 11.063 -5.471 18.059 126 HG22 VAL 15 HG22 VAL 15 11.366 -3.778 17.670 127 HG23 VAL 15 HG23 VAL 15 12.597 -4.724 18.506 128 H ASP 16 H ASP 16 8.229 -3.637 20.782 129 HA ASP 16 HA ASP 16 8.689 -2.922 23.423 130 HB2 ASP 16 HB2 ASP 16 7.025 -1.966 21.645 131 HB3 ASP 16 HB3 ASP 16 5.888 -3.102 22.366 132 H ARG 17 H ARG 17 6.913 -5.653 22.104 133 HA ARG 17 HA ARG 17 5.839 -6.480 24.632 134 HB2 ARG 17 HB2 ARG 17 6.083 -7.951 22.001 135 HB3 ARG 17 HB3 ARG 17 5.196 -8.540 23.401 136 HG2 ARG 17 HG2 ARG 17 4.580 -5.946 22.010 137 HG3 ARG 17 HG3 ARG 17 3.796 -7.480 21.627 138 HD2 ARG 17 HD2 ARG 17 2.626 -7.529 23.590 139 HD3 ARG 17 HD3 ARG 17 3.850 -6.611 24.467 140 HE ARG 17 HE ARG 17 1.590 -5.563 23.044 141 HH11 ARG 17 HH11 ARG 17 4.814 -4.881 24.168 142 HH12 ARG 17 HH12 ARG 17 4.579 -3.165 24.203 143 HH21 ARG 17 HH21 ARG 17 1.269 -3.305 23.085 144 HH22 ARG 17 HH22 ARG 17 2.562 -2.270 23.587 145 H LEU 18 H LEU 18 8.640 -7.318 22.674 146 HA LEU 18 HA LEU 18 9.489 -9.633 23.912 147 HB2 LEU 18 HB2 LEU 18 10.769 -7.454 22.409 148 HB3 LEU 18 HB3 LEU 18 11.852 -8.383 23.444 149 HG LEU 18 HG LEU 18 11.824 -9.198 21.125 150 HD11 LEU 18 HD11 LEU 18 10.684 -11.563 22.115 151 HD12 LEU 18 HD12 LEU 18 11.395 -10.737 23.502 152 HD13 LEU 18 HD13 LEU 18 12.389 -11.109 22.093 153 HD21 LEU 18 HD21 LEU 18 8.908 -9.664 21.712 154 HD22 LEU 18 HD22 LEU 18 9.771 -10.458 20.394 155 HD23 LEU 18 HD23 LEU 18 9.615 -8.701 20.414 156 H ALA 19 H ALA 19 10.284 -6.283 24.816 157 HA ALA 19 HA ALA 19 11.900 -6.843 27.013 158 HB1 ALA 19 HB1 ALA 19 12.060 -4.633 26.956 159 HB2 ALA 19 HB2 ALA 19 10.681 -4.544 25.860 160 HB3 ALA 19 HB3 ALA 19 10.425 -4.503 27.604 161 H ARG 20 H ARG 20 8.389 -6.599 26.773 162 HA ARG 20 HA ARG 20 7.900 -6.771 29.570 163 HB2 ARG 20 HB2 ARG 20 6.322 -5.900 27.756 164 HB3 ARG 20 HB3 ARG 20 5.971 -7.587 27.405 165 HG2 ARG 20 HG2 ARG 20 5.040 -7.932 29.559 166 HG3 ARG 20 HG3 ARG 20 5.627 -6.369 30.131 167 HD2 ARG 20 HD2 ARG 20 3.551 -6.813 27.988 168 HD3 ARG 20 HD3 ARG 20 3.236 -6.294 29.643 169 HE ARG 20 HE ARG 20 4.182 -4.673 27.469 170 HH11 ARG 20 HH11 ARG 20 4.066 -5.031 30.930 171 HH12 ARG 20 HH12 ARG 20 4.286 -3.341 31.243 172 HH21 ARG 20 HH21 ARG 20 4.472 -2.446 27.868 173 HH22 ARG 20 HH22 ARG 20 4.516 -1.871 29.501 174 H TYR 21 H TYR 21 8.186 -9.122 26.974 175 HA TYR 21 HA TYR 21 8.131 -11.258 28.997 176 HB2 TYR 21 HB2 TYR 21 6.833 -11.323 26.266 177 HB3 TYR 21 HB3 TYR 21 7.024 -12.727 27.310 178 HD1 TYR 21 HD1 TYR 21 5.354 -9.445 26.986 179 HD2 TYR 21 HD2 TYR 21 5.535 -13.122 29.119 180 HE1 TYR 21 HE1 TYR 21 3.227 -8.901 28.095 181 HE2 TYR 21 HE2 TYR 21 3.408 -12.589 30.232 182 HH TYR 21 HH TYR 21 1.915 -10.934 30.653 183 HA PRO 22 HA PRO 22 12.033 -11.373 26.478 184 HB2 PRO 22 HB2 PRO 22 13.676 -11.700 28.614 185 HB3 PRO 22 HB3 PRO 22 13.161 -10.112 28.033 186 HG2 PRO 22 HG2 PRO 22 12.095 -11.731 30.314 187 HG3 PRO 22 HG3 PRO 22 12.433 -9.992 30.238 188 HD2 PRO 22 HD2 PRO 22 9.934 -11.004 29.980 189 HD3 PRO 22 HD3 PRO 22 10.459 -9.529 29.142 190 H GLY 23 H GLY 23 10.975 -13.436 25.828 191 HA2 GLY 23 HA2 GLY 23 12.227 -15.643 25.684 192 HA3 GLY 23 HA3 GLY 23 11.946 -15.725 27.417 193 H TYR 24 H TYR 24 9.695 -14.585 24.946 194 HA TYR 24 HA TYR 24 7.780 -16.599 25.862 195 HB2 TYR 24 HB2 TYR 24 7.394 -13.976 25.523 196 HB3 TYR 24 HB3 TYR 24 7.002 -14.509 23.892 197 HD1 TYR 24 HD1 TYR 24 4.724 -14.595 23.569 198 HD2 TYR 24 HD2 TYR 24 6.303 -15.869 27.308 199 HE1 TYR 24 HE1 TYR 24 2.460 -15.205 24.310 200 HE2 TYR 24 HE2 TYR 24 4.044 -16.484 28.059 201 HH TYR 24 HH TYR 24 1.805 -17.173 26.790 202 H GLU 25 H GLU 25 7.094 -18.242 24.626 203 HA GLU 25 HA GLU 25 8.502 -18.961 22.290 204 HB2 GLU 25 HB2 GLU 25 5.927 -20.019 23.462 205 HB3 GLU 25 HB3 GLU 25 6.748 -20.750 22.090 206 HG2 GLU 25 HG2 GLU 25 8.604 -21.369 23.397 207 HG3 GLU 25 HG3 GLU 25 8.099 -20.340 24.736 208 H VAL 26 H VAL 26 5.373 -17.434 22.814 209 HA VAL 26 HA VAL 26 4.510 -17.561 20.108 210 HB VAL 26 HB VAL 26 3.637 -15.558 22.191 211 HG11 VAL 26 HG11 VAL 26 3.029 -15.413 19.647 212 HG12 VAL 26 HG12 VAL 26 1.886 -16.692 20.060 213 HG13 VAL 26 HG13 VAL 26 1.800 -15.131 20.879 214 HG21 VAL 26 HG21 VAL 26 3.369 -17.679 23.210 215 HG22 VAL 26 HG22 VAL 26 1.779 -17.221 22.599 216 HG23 VAL 26 HG23 VAL 26 2.756 -18.397 21.721 217 H LEU 27 H LEU 27 6.344 -15.223 21.986 218 HA LEU 27 HA LEU 27 6.266 -13.123 20.087 219 HB2 LEU 27 HB2 LEU 27 8.088 -13.773 22.381 220 HB3 LEU 27 HB3 LEU 27 8.370 -12.376 21.344 221 HG LEU 27 HG LEU 27 5.929 -12.857 23.052 222 HD11 LEU 27 HD11 LEU 27 6.930 -10.630 24.035 223 HD12 LEU 27 HD12 LEU 27 8.437 -11.302 23.414 224 HD13 LEU 27 HD13 LEU 27 7.487 -12.209 24.591 225 HD21 LEU 27 HD21 LEU 27 5.248 -11.661 21.113 226 HD22 LEU 27 HD22 LEU 27 6.670 -10.619 21.178 227 HD23 LEU 27 HD23 LEU 27 5.419 -10.483 22.415 228 H LEU 28 H LEU 28 8.781 -15.534 20.837 229 HA LEU 28 HA LEU 28 10.521 -14.762 18.751 230 HB2 LEU 28 HB2 LEU 28 11.564 -16.995 19.128 231 HB3 LEU 28 HB3 LEU 28 11.404 -15.998 20.573 232 HG LEU 28 HG LEU 28 9.164 -17.445 20.804 233 HD11 LEU 28 HD11 LEU 28 10.517 -19.810 20.177 234 HD12 LEU 28 HD12 LEU 28 10.677 -18.776 18.758 235 HD13 LEU 28 HD13 LEU 28 9.077 -19.155 19.397 236 HD21 LEU 28 HD21 LEU 28 10.766 -17.255 22.557 237 HD22 LEU 28 HD22 LEU 28 11.957 -18.190 21.652 238 HD23 LEU 28 HD23 LEU 28 10.502 -18.975 22.269 239 H SER 29 H SER 29 7.921 -17.133 18.950 240 HA SER 29 HA SER 29 8.391 -18.412 16.486 241 HB2 SER 29 HB2 SER 29 6.114 -19.258 16.687 242 HB3 SER 29 HB3 SER 29 6.909 -19.316 18.260 243 HG SER 29 HG SER 29 4.842 -17.658 17.362 244 H ALA 30 H ALA 30 6.160 -15.770 17.336 245 HA ALA 30 HA ALA 30 5.266 -15.356 14.670 246 HB1 ALA 30 HB1 ALA 30 4.041 -14.694 16.764 247 HB2 ALA 30 HB2 ALA 30 5.172 -13.348 16.910 248 HB3 ALA 30 HB3 ALA 30 4.111 -13.459 15.506 249 H GLU 31 H GLU 31 7.841 -13.980 16.630 250 HA GLU 31 HA GLU 31 8.479 -11.822 14.921 251 HB2 GLU 31 HB2 GLU 31 9.276 -11.793 17.182 252 HB3 GLU 31 HB3 GLU 31 10.116 -13.322 16.965 253 HG2 GLU 31 HG2 GLU 31 10.859 -10.997 15.259 254 HG3 GLU 31 HG3 GLU 31 11.424 -11.069 16.928 255 H LYS 32 H LYS 32 9.871 -15.079 15.233 256 HA LYS 32 HA LYS 32 11.878 -14.919 13.352 257 HB2 LYS 32 HB2 LYS 32 10.138 -17.157 14.310 258 HB3 LYS 32 HB3 LYS 32 11.225 -17.440 12.956 259 HG2 LYS 32 HG2 LYS 32 13.128 -17.085 14.252 260 HG3 LYS 32 HG3 LYS 32 12.222 -16.261 15.523 261 HD2 LYS 32 HD2 LYS 32 12.723 -18.397 16.386 262 HD3 LYS 32 HD3 LYS 32 11.028 -18.470 15.901 263 HE2 LYS 32 HE2 LYS 32 11.943 -20.463 15.093 264 HE3 LYS 32 HE3 LYS 32 11.898 -19.405 13.683 265 HZ1 LYS 32 HZ1 LYS 32 14.115 -20.681 14.835 266 HZ2 LYS 32 HZ2 LYS 32 14.343 -19.010 14.963 267 HZ3 LYS 32 HZ3 LYS 32 14.063 -19.712 13.450 268 H GLN 33 H GLN 33 8.428 -15.275 12.860 269 HA GLN 33 HA GLN 33 8.422 -16.063 10.178 270 HB2 GLN 33 HB2 GLN 33 6.512 -15.105 12.102 271 HB3 GLN 33 HB3 GLN 33 6.228 -14.330 10.549 272 HG2 GLN 33 HG2 GLN 33 6.258 -17.272 11.155 273 HG3 GLN 33 HG3 GLN 33 4.892 -16.286 10.635 274 HE21 GLN 33 HE21 GLN 33 6.888 -18.577 9.610 275 HE22 GLN 33 HE22 GLN 33 6.983 -18.201 7.926 276 H LEU 34 H LEU 34 8.151 -12.778 11.538 277 HA LEU 34 HA LEU 34 8.077 -11.348 9.178 278 HB2 LEU 34 HB2 LEU 34 8.451 -9.480 10.435 279 HB3 LEU 34 HB3 LEU 34 7.951 -10.614 11.687 280 HG LEU 34 HG LEU 34 10.580 -10.994 11.844 281 HD11 LEU 34 HD11 LEU 34 10.248 -8.521 10.307 282 HD12 LEU 34 HD12 LEU 34 11.646 -9.584 10.467 283 HD13 LEU 34 HD13 LEU 34 11.305 -8.382 11.711 284 HD21 LEU 34 HD21 LEU 34 9.037 -8.718 13.080 285 HD22 LEU 34 HD22 LEU 34 10.596 -9.308 13.655 286 HD23 LEU 34 HD23 LEU 34 9.182 -10.361 13.702 287 H GLN 35 H GLN 35 10.787 -12.885 10.739 288 HA GLN 35 HA GLN 35 12.833 -11.542 9.294 289 HB2 GLN 35 HB2 GLN 35 12.963 -14.286 10.551 290 HB3 GLN 35 HB3 GLN 35 14.320 -13.240 10.156 291 HG2 GLN 35 HG2 GLN 35 12.191 -12.455 12.120 292 HG3 GLN 35 HG3 GLN 35 13.638 -13.349 12.584 293 HE21 GLN 35 HE21 GLN 35 12.378 -10.413 12.661 294 HE22 GLN 35 HE22 GLN 35 13.796 -9.438 12.500 295 H TYR 36 H TYR 36 10.940 -14.449 8.734 296 HA TYR 36 HA TYR 36 12.471 -15.416 6.549 297 HB2 TYR 36 HB2 TYR 36 11.079 -16.998 7.611 298 HB3 TYR 36 HB3 TYR 36 9.670 -15.949 7.516 299 HD1 TYR 36 HD1 TYR 36 12.097 -16.937 4.864 300 HD2 TYR 36 HD2 TYR 36 8.090 -17.128 6.282 301 HE1 TYR 36 HE1 TYR 36 11.418 -18.047 2.777 302 HE2 TYR 36 HE2 TYR 36 7.400 -18.239 4.200 303 HH TYR 36 HH TYR 36 9.680 -18.739 1.541 304 H ILE 37 H ILE 37 9.311 -13.763 6.635 305 HA ILE 37 HA ILE 37 8.912 -13.460 3.925 306 HB ILE 37 HB ILE 37 8.183 -11.465 6.072 307 HG12 ILE 37 HG12 ILE 37 6.034 -13.137 5.102 308 HG13 ILE 37 HG13 ILE 37 7.350 -14.126 5.726 309 HG21 ILE 37 HG21 ILE 37 7.584 -10.224 4.305 310 HG22 ILE 37 HG22 ILE 37 7.671 -11.590 3.194 311 HG23 ILE 37 HG23 ILE 37 6.228 -11.344 4.178 312 HD11 ILE 37 HD11 ILE 37 7.266 -12.732 7.809 313 HD12 ILE 37 HD12 ILE 37 5.783 -12.016 7.176 314 HD13 ILE 37 HD13 ILE 37 5.855 -13.746 7.512 315 H ARG 38 H ARG 38 10.931 -11.557 6.082 316 HA ARG 38 HA ARG 38 11.500 -9.521 4.144 317 HB2 ARG 38 HB2 ARG 38 11.643 -8.903 6.446 318 HB3 ARG 38 HB3 ARG 38 12.737 -10.234 6.800 319 HG2 ARG 38 HG2 ARG 38 14.467 -9.176 5.434 320 HG3 ARG 38 HG3 ARG 38 13.368 -7.839 5.087 321 HD2 ARG 38 HD2 ARG 38 14.741 -7.076 6.836 322 HD3 ARG 38 HD3 ARG 38 13.214 -7.514 7.601 323 HE ARG 38 HE ARG 38 14.722 -9.765 7.816 324 HH11 ARG 38 HH11 ARG 38 15.190 -6.431 8.701 325 HH12 ARG 38 HH12 ARG 38 16.207 -6.797 10.054 326 HH21 ARG 38 HH21 ARG 38 16.060 -10.260 9.595 327 HH22 ARG 38 HH22 ARG 38 16.703 -8.976 10.562 328 H SER 39 H SER 39 13.262 -12.319 5.440 329 HA SER 39 HA SER 39 15.627 -11.955 3.977 330 HB2 SER 39 HB2 SER 39 15.799 -13.487 5.737 331 HB3 SER 39 HB3 SER 39 14.330 -14.341 5.265 332 HG SER 39 HG SER 39 16.923 -14.643 4.369 333 H VAL 40 H VAL 40 12.913 -14.172 3.305 334 HA VAL 40 HA VAL 40 13.758 -15.147 0.866 335 HB VAL 40 HB VAL 40 11.798 -16.028 2.033 336 HG11 VAL 40 HG11 VAL 40 9.907 -14.869 2.483 337 HG12 VAL 40 HG12 VAL 40 11.007 -13.492 2.390 338 HG13 VAL 40 HG13 VAL 40 10.006 -13.918 1.001 339 HG21 VAL 40 HG21 VAL 40 10.612 -16.659 0.140 340 HG22 VAL 40 HG22 VAL 40 10.800 -15.082 -0.627 341 HG23 VAL 40 HG23 VAL 40 12.175 -16.181 -0.522 342 H LEU 41 H LEU 41 12.189 -12.092 1.601 343 HA LEU 41 HA LEU 41 11.393 -11.260 -0.904 344 HB2 LEU 41 HB2 LEU 41 11.372 -10.132 1.509 345 HB3 LEU 41 HB3 LEU 41 12.745 -9.265 0.825 346 HG LEU 41 HG LEU 41 9.939 -9.307 -0.284 347 HD11 LEU 41 HD11 LEU 41 10.183 -8.004 1.782 348 HD12 LEU 41 HD12 LEU 41 9.865 -6.978 0.384 349 HD13 LEU 41 HD13 LEU 41 11.497 -7.091 1.041 350 HD21 LEU 41 HD21 LEU 41 11.369 -9.096 -2.136 351 HD22 LEU 41 HD22 LEU 41 12.491 -8.056 -1.260 352 HD23 LEU 41 HD23 LEU 41 10.902 -7.446 -1.726 353 H LEU 42 H LEU 42 14.617 -11.274 0.498 354 HA LEU 42 HA LEU 42 15.730 -10.016 -1.890 355 HB2 LEU 42 HB2 LEU 42 16.810 -10.704 0.815 356 HB3 LEU 42 HB3 LEU 42 17.903 -10.355 -0.523 357 HG LEU 42 HG LEU 42 17.619 -8.385 0.838 358 HD11 LEU 42 HD11 LEU 42 15.938 -7.714 -1.516 359 HD12 LEU 42 HD12 LEU 42 17.539 -8.393 -1.804 360 HD13 LEU 42 HD13 LEU 42 17.367 -6.904 -0.875 361 HD21 LEU 42 HD21 LEU 42 14.670 -8.604 0.243 362 HD22 LEU 42 HD22 LEU 42 15.465 -7.324 1.159 363 HD23 LEU 42 HD23 LEU 42 15.427 -8.970 1.794 364 H ASP 43 H ASP 43 15.695 -13.087 -0.186 365 HA ASP 43 HA ASP 43 17.668 -14.351 -1.806 366 HB2 ASP 43 HB2 ASP 43 16.709 -15.013 0.548 367 HB3 ASP 43 HB3 ASP 43 15.521 -15.898 -0.404 368 H ARG 44 H ARG 44 17.409 -15.831 -3.487 369 HA ARG 44 HA ARG 44 14.795 -15.704 -4.843 370 HB2 ARG 44 HB2 ARG 44 17.495 -16.083 -6.146 371 HB3 ARG 44 HB3 ARG 44 15.953 -15.847 -6.957 372 HG2 ARG 44 HG2 ARG 44 16.079 -13.626 -5.399 373 HG3 ARG 44 HG3 ARG 44 17.782 -13.891 -5.780 374 HD2 ARG 44 HD2 ARG 44 16.375 -14.302 -8.172 375 HD3 ARG 44 HD3 ARG 44 15.680 -12.856 -7.442 376 HE ARG 44 HE ARG 44 17.636 -11.742 -7.865 377 HH11 ARG 44 HH11 ARG 44 18.169 -15.166 -8.204 378 HH12 ARG 44 HH12 ARG 44 19.763 -14.985 -8.859 379 HH21 ARG 44 HH21 ARG 44 19.734 -11.491 -8.726 380 HH22 ARG 44 HH22 ARG 44 20.652 -12.895 -9.154 381 H SER 45 H SER 45 17.571 -17.731 -4.059 382 HA SER 45 HA SER 45 16.789 -20.072 -5.361 383 HB2 SER 45 HB2 SER 45 18.994 -20.016 -4.509 384 HB3 SER 45 HB3 SER 45 18.445 -19.581 -2.890 385 HG SER 45 HG SER 45 18.885 -21.721 -2.786 386 H LEU 46 H LEU 46 16.117 -18.996 -2.040 387 HA LEU 46 HA LEU 46 14.723 -21.190 -1.114 388 HB2 LEU 46 HB2 LEU 46 14.383 -18.257 -0.556 389 HB3 LEU 46 HB3 LEU 46 13.452 -19.491 0.291 390 HG LEU 46 HG LEU 46 16.460 -19.462 0.299 391 HD11 LEU 46 HD11 LEU 46 14.850 -18.389 2.568 392 HD12 LEU 46 HD12 LEU 46 15.244 -17.337 1.208 393 HD13 LEU 46 HD13 LEU 46 16.536 -18.093 2.141 394 HD21 LEU 46 HD21 LEU 46 14.478 -20.644 2.237 395 HD22 LEU 46 HD22 LEU 46 16.227 -20.871 2.220 396 HD23 LEU 46 HD23 LEU 46 15.237 -21.542 0.923 397 H ASP 47 H ASP 47 12.601 -21.867 -1.156 398 HA ASP 47 HA ASP 47 11.138 -21.410 -3.514 399 HB2 ASP 47 HB2 ASP 47 9.278 -22.612 -2.223 400 HB3 ASP 47 HB3 ASP 47 10.788 -23.489 -2.460 401 H ARG 48 H ARG 48 9.198 -20.320 -3.891 402 HA ARG 48 HA ARG 48 8.774 -18.020 -2.134 403 HB2 ARG 48 HB2 ARG 48 8.233 -18.605 -5.008 404 HB3 ARG 48 HB3 ARG 48 7.205 -17.434 -4.193 405 HG2 ARG 48 HG2 ARG 48 8.785 -16.003 -4.925 406 HG3 ARG 48 HG3 ARG 48 9.590 -16.501 -3.436 407 HD2 ARG 48 HD2 ARG 48 11.231 -16.673 -5.109 408 HD3 ARG 48 HD3 ARG 48 10.687 -18.326 -4.824 409 HE ARG 48 HE ARG 48 9.140 -17.342 -6.891 410 HH11 ARG 48 HH11 ARG 48 12.515 -17.940 -6.282 411 HH12 ARG 48 HH12 ARG 48 12.893 -18.253 -7.944 412 HH21 ARG 48 HH21 ARG 48 9.625 -17.752 -9.082 413 HH22 ARG 48 HH22 ARG 48 11.249 -18.145 -9.535 414 H SER 49 H SER 49 7.089 -20.787 -3.504 415 HA SER 49 HA SER 49 4.472 -20.204 -2.853 416 HB2 SER 49 HB2 SER 49 5.299 -22.224 -4.115 417 HB3 SER 49 HB3 SER 49 5.729 -22.940 -2.562 418 HG SER 49 HG SER 49 3.611 -23.523 -3.389 419 H ALA 50 H ALA 50 7.078 -21.284 -0.775 420 HA ALA 50 HA ALA 50 5.721 -22.129 1.468 421 HB1 ALA 50 HB1 ALA 50 7.944 -22.420 1.775 422 HB2 ALA 50 HB2 ALA 50 8.366 -20.905 0.976 423 HB3 ALA 50 HB3 ALA 50 7.783 -20.891 2.641 424 H LEU 51 H LEU 51 6.394 -18.826 0.420 425 HA LEU 51 HA LEU 51 5.688 -17.403 2.672 426 HB2 LEU 51 HB2 LEU 51 5.416 -16.834 -0.253 427 HB3 LEU 51 HB3 LEU 51 4.808 -15.686 0.938 428 HG LEU 51 HG LEU 51 7.354 -16.098 1.824 429 HD11 LEU 51 HD11 LEU 51 8.707 -15.752 -0.319 430 HD12 LEU 51 HD12 LEU 51 7.311 -16.430 -1.157 431 HD13 LEU 51 HD13 LEU 51 8.164 -17.388 0.053 432 HD21 LEU 51 HD21 LEU 51 6.262 -13.948 1.602 433 HD22 LEU 51 HD22 LEU 51 6.368 -14.047 -0.156 434 HD23 LEU 51 HD23 LEU 51 7.838 -13.907 0.810 435 H HIS 52 H HIS 52 3.612 -18.941 0.293 436 HA HIS 52 HA HIS 52 1.198 -17.825 1.421 437 HB2 HIS 52 HB2 HIS 52 1.200 -18.230 -0.947 438 HB3 HIS 52 HB3 HIS 52 1.681 -19.908 -0.714 439 HD1 HIS 52 HD1 HIS 52 -0.190 -21.488 -0.971 440 HD2 HIS 52 HD2 HIS 52 -1.485 -17.791 0.412 441 HE1 HIS 52 HE1 HIS 52 -2.689 -21.683 -0.771 442 H ARG 53 H ARG 53 2.985 -20.844 1.561 443 HA ARG 53 HA ARG 53 1.025 -22.419 2.817 444 HB2 ARG 53 HB2 ARG 53 4.032 -22.549 2.756 445 HB3 ARG 53 HB3 ARG 53 3.079 -23.712 3.669 446 HG2 ARG 53 HG2 ARG 53 2.534 -23.221 0.768 447 HG3 ARG 53 HG3 ARG 53 3.818 -24.316 1.285 448 HD2 ARG 53 HD2 ARG 53 0.944 -24.529 2.169 449 HD3 ARG 53 HD3 ARG 53 1.635 -25.432 0.822 450 HE ARG 53 HE ARG 53 3.065 -25.754 3.296 451 HH11 ARG 53 HH11 ARG 53 0.430 -26.904 1.333 452 HH12 ARG 53 HH12 ARG 53 0.411 -28.480 2.051 453 HH21 ARG 53 HH21 ARG 53 3.049 -27.826 4.250 454 HH22 ARG 53 HH22 ARG 53 1.901 -29.003 3.712 455 H LEU 54 H LEU 54 3.592 -20.369 4.150 456 HA LEU 54 HA LEU 54 3.355 -20.963 6.832 457 HB2 LEU 54 HB2 LEU 54 4.481 -18.984 7.274 458 HB3 LEU 54 HB3 LEU 54 4.974 -19.383 5.630 459 HG LEU 54 HG LEU 54 2.941 -17.761 5.052 460 HD11 LEU 54 HD11 LEU 54 3.464 -15.823 6.837 461 HD12 LEU 54 HD12 LEU 54 3.594 -17.239 7.878 462 HD13 LEU 54 HD13 LEU 54 2.107 -16.940 6.979 463 HD21 LEU 54 HD21 LEU 54 5.462 -16.418 5.891 464 HD22 LEU 54 HD22 LEU 54 4.526 -16.240 4.407 465 HD23 LEU 54 HD23 LEU 54 5.538 -17.665 4.647 466 H THR 55 H THR 55 2.006 -20.414 8.470 467 HA THR 55 HA THR 55 -0.282 -18.674 7.828 468 HB THR 55 HB THR 55 -0.514 -21.136 9.557 469 HG1 THR 55 HG1 THR 55 -0.816 -20.805 6.768 470 HG21 THR 55 HG21 THR 55 -2.796 -19.896 8.118 471 HG22 THR 55 HG22 THR 55 -2.145 -19.029 9.509 472 HG23 THR 55 HG23 THR 55 -2.744 -20.676 9.698 473 H LEU 56 H LEU 56 0.669 -16.940 8.929 474 HA LEU 56 HA LEU 56 0.950 -17.300 11.839 475 HB2 LEU 56 HB2 LEU 56 2.914 -16.505 10.305 476 HB3 LEU 56 HB3 LEU 56 2.082 -14.954 10.382 477 HG LEU 56 HG LEU 56 3.899 -15.085 12.006 478 HD11 LEU 56 HD11 LEU 56 1.608 -13.933 12.421 479 HD12 LEU 56 HD12 LEU 56 2.754 -14.103 13.751 480 HD13 LEU 56 HD13 LEU 56 1.388 -15.210 13.618 481 HD21 LEU 56 HD21 LEU 56 4.326 -16.963 13.104 482 HD22 LEU 56 HD22 LEU 56 2.880 -17.706 12.419 483 HD23 LEU 56 HD23 LEU 56 2.781 -16.825 13.944 484 H GLY 57 H GLY 57 -0.407 -16.237 13.140 485 HA2 GLY 57 HA2 GLY 57 -1.405 -13.891 13.419 486 HA3 GLY 57 HA3 GLY 57 -2.207 -14.260 11.899 487 H SER 58 H SER 58 -2.637 -17.063 12.564 488 HA SER 58 HA SER 58 -5.178 -16.881 13.710 489 HB2 SER 58 HB2 SER 58 -3.317 -19.219 13.293 490 HB3 SER 58 HB3 SER 58 -4.931 -19.415 13.976 491 HG SER 58 HG SER 58 -4.441 -19.483 11.504 492 H ILE 59 H ILE 59 -2.040 -17.391 15.153 493 HA ILE 59 HA ILE 59 -3.134 -18.105 17.736 494 HB ILE 59 HB ILE 59 -0.816 -18.123 18.511 495 HG12 ILE 59 HG12 ILE 59 -0.152 -17.185 15.712 496 HG13 ILE 59 HG13 ILE 59 0.027 -16.240 17.185 497 HG21 ILE 59 HG21 ILE 59 -0.376 -19.552 16.020 498 HG22 ILE 59 HG22 ILE 59 -0.532 -20.167 17.665 499 HG23 ILE 59 HG23 ILE 59 -1.975 -19.851 16.702 500 HD11 ILE 59 HD11 ILE 59 2.149 -16.947 17.059 501 HD12 ILE 59 HD12 ILE 59 1.502 -18.406 17.811 502 HD13 ILE 59 HD13 ILE 59 1.736 -18.344 16.065 503 H ALA 60 H ALA 60 -1.884 -15.267 16.124 504 HA ALA 60 HA ALA 60 -1.647 -13.680 18.498 505 HB1 ALA 60 HB1 ALA 60 -0.259 -13.074 16.677 506 HB2 ALA 60 HB2 ALA 60 -1.629 -12.989 15.570 507 HB3 ALA 60 HB3 ALA 60 -1.451 -11.785 16.847 508 H VAL 61 H VAL 61 -4.125 -14.232 16.072 509 HA VAL 61 HA VAL 61 -5.820 -12.082 16.773 510 HB VAL 61 HB VAL 61 -6.058 -13.287 14.653 511 HG11 VAL 61 HG11 VAL 61 -5.588 -15.527 15.188 512 HG12 VAL 61 HG12 VAL 61 -6.824 -15.573 16.447 513 HG13 VAL 61 HG13 VAL 61 -7.295 -15.509 14.748 514 HG21 VAL 61 HG21 VAL 61 -7.969 -12.052 15.718 515 HG22 VAL 61 HG22 VAL 61 -8.437 -13.293 14.555 516 HG23 VAL 61 HG23 VAL 61 -8.569 -13.611 16.285 517 H LYS 62 H LYS 62 -5.239 -15.178 18.197 518 HA LYS 62 HA LYS 62 -7.619 -14.936 19.894 519 HB2 LYS 62 HB2 LYS 62 -7.083 -17.104 18.697 520 HB3 LYS 62 HB3 LYS 62 -5.693 -17.256 19.764 521 HG2 LYS 62 HG2 LYS 62 -7.237 -17.196 21.702 522 HG3 LYS 62 HG3 LYS 62 -8.592 -17.192 20.571 523 HD2 LYS 62 HD2 LYS 62 -7.570 -19.322 19.604 524 HD3 LYS 62 HD3 LYS 62 -6.561 -19.356 21.052 525 HE2 LYS 62 HE2 LYS 62 -8.542 -19.415 22.456 526 HE3 LYS 62 HE3 LYS 62 -9.577 -19.297 21.033 527 HZ1 LYS 62 HZ1 LYS 62 -9.596 -21.521 21.219 528 HZ2 LYS 62 HZ2 LYS 62 -8.155 -21.586 22.102 529 HZ3 LYS 62 HZ3 LYS 62 -8.108 -21.433 20.418 530 H GLU 63 H GLU 63 -4.144 -15.676 20.216 531 HA GLU 63 HA GLU 63 -4.118 -15.282 23.032 532 HB2 GLU 63 HB2 GLU 63 -1.840 -15.298 21.044 533 HB3 GLU 63 HB3 GLU 63 -1.655 -15.351 22.791 534 HG2 GLU 63 HG2 GLU 63 -3.289 -17.418 21.387 535 HG3 GLU 63 HG3 GLU 63 -1.531 -17.540 21.426 536 H PHE 64 H PHE 64 -2.954 -13.302 20.313 537 HA PHE 64 HA PHE 64 -2.573 -11.041 22.122 538 HB2 PHE 64 HB2 PHE 64 -1.806 -11.546 19.251 539 HB3 PHE 64 HB3 PHE 64 -1.674 -9.951 19.984 540 HD1 PHE 64 HD1 PHE 64 0.350 -12.298 18.929 541 HD2 PHE 64 HD2 PHE 64 -0.705 -10.546 22.661 542 HE1 PHE 64 HE1 PHE 64 2.556 -12.904 19.833 543 HE2 PHE 64 HE2 PHE 64 1.500 -11.148 23.571 544 HZ PHE 64 HZ PHE 64 3.135 -12.328 22.156 545 H ASP 65 H ASP 65 -5.245 -11.941 21.609 546 HA ASP 65 HA ASP 65 -6.474 -10.211 19.687 547 HB2 ASP 65 HB2 ASP 65 -7.313 -12.488 20.674 548 HB3 ASP 65 HB3 ASP 65 -7.986 -11.473 21.946 549 H GLU 66 H GLU 66 -6.607 -10.326 23.252 550 HA GLU 66 HA GLU 66 -7.361 -7.484 23.232 551 HB2 GLU 66 HB2 GLU 66 -7.816 -9.695 25.220 552 HB3 GLU 66 HB3 GLU 66 -7.971 -8.006 25.681 553 HG2 GLU 66 HG2 GLU 66 -9.752 -7.667 24.142 554 HG3 GLU 66 HG3 GLU 66 -9.495 -9.249 23.408 555 H THR 67 H THR 67 -5.145 -9.821 24.672 556 HA THR 67 HA THR 67 -3.820 -8.173 26.473 557 HB THR 67 HB THR 67 -1.832 -9.692 26.093 558 HG1 THR 67 HG1 THR 67 -2.611 -11.639 24.797 559 HG21 THR 67 HG21 THR 67 -3.933 -11.651 26.450 560 HG22 THR 67 HG22 THR 67 -4.274 -10.169 27.343 561 HG23 THR 67 HG23 THR 67 -2.762 -11.035 27.615 562 H ASP 68 H ASP 68 -3.285 -8.621 23.009 563 HA ASP 68 HA ASP 68 -1.923 -6.067 22.889 564 HB2 ASP 68 HB2 ASP 68 -0.528 -8.529 21.830 565 HB3 ASP 68 HB3 ASP 68 0.090 -6.880 21.855 566 HA PRO 69 HA PRO 69 -4.676 -6.914 19.294 567 HB2 PRO 69 HB2 PRO 69 -5.697 -4.399 19.212 568 HB3 PRO 69 HB3 PRO 69 -6.347 -5.666 20.259 569 HG2 PRO 69 HG2 PRO 69 -4.471 -3.432 20.930 570 HG3 PRO 69 HG3 PRO 69 -5.863 -4.037 21.846 571 HD2 PRO 69 HD2 PRO 69 -3.312 -4.703 22.464 572 HD3 PRO 69 HD3 PRO 69 -4.677 -5.809 22.722 573 H GLU 70 H GLU 70 -2.452 -4.273 19.998 574 HA GLU 70 HA GLU 70 -2.245 -3.207 17.410 575 HB2 GLU 70 HB2 GLU 70 -0.634 -3.105 19.893 576 HB3 GLU 70 HB3 GLU 70 0.214 -2.713 18.404 577 HG2 GLU 70 HG2 GLU 70 -2.403 -1.409 18.940 578 HG3 GLU 70 HG3 GLU 70 -0.980 -0.861 19.824 579 H LEU 71 H LEU 71 -0.646 -5.923 18.957 580 HA LEU 71 HA LEU 71 1.321 -6.338 16.956 581 HB2 LEU 71 HB2 LEU 71 0.377 -7.684 19.356 582 HB3 LEU 71 HB3 LEU 71 0.851 -8.813 18.089 583 HG LEU 71 HG LEU 71 2.706 -8.443 19.578 584 HD11 LEU 71 HD11 LEU 71 2.759 -7.909 16.783 585 HD12 LEU 71 HD12 LEU 71 4.005 -8.639 17.795 586 HD13 LEU 71 HD13 LEU 71 3.959 -6.889 17.578 587 HD21 LEU 71 HD21 LEU 71 2.027 -5.573 19.135 588 HD22 LEU 71 HD22 LEU 71 3.700 -6.023 19.470 589 HD23 LEU 71 HD23 LEU 71 2.430 -6.419 20.629 590 H SER 72 H SER 72 -1.807 -7.916 17.590 591 HA SER 72 HA SER 72 -1.816 -9.746 15.527 592 HB2 SER 72 HB2 SER 72 -3.551 -9.672 17.262 593 HB3 SER 72 HB3 SER 72 -4.174 -8.167 16.586 594 HG SER 72 HG SER 72 -5.311 -9.357 15.299 595 H ARG 73 H ARG 73 -3.030 -6.400 15.444 596 HA ARG 73 HA ARG 73 -3.901 -6.327 12.818 597 HB2 ARG 73 HB2 ARG 73 -4.026 -4.538 14.705 598 HB3 ARG 73 HB3 ARG 73 -2.500 -3.972 14.040 599 HG2 ARG 73 HG2 ARG 73 -4.022 -2.650 12.939 600 HG3 ARG 73 HG3 ARG 73 -3.782 -3.963 11.784 601 HD2 ARG 73 HD2 ARG 73 -6.074 -3.824 11.814 602 HD3 ARG 73 HD3 ARG 73 -5.797 -5.044 13.056 603 HE ARG 73 HE ARG 73 -6.608 -3.584 14.622 604 HH11 ARG 73 HH11 ARG 73 -5.883 -1.839 11.698 605 HH12 ARG 73 HH12 ARG 73 -6.607 -0.363 12.244 606 HH21 ARG 73 HH21 ARG 73 -7.564 -1.646 15.353 607 HH22 ARG 73 HH22 ARG 73 -7.562 -0.254 14.324 608 H ALA 74 H ALA 74 -0.648 -6.019 14.105 609 HA ALA 74 HA ALA 74 0.528 -5.239 11.606 610 HB1 ALA 74 HB1 ALA 74 2.292 -6.451 13.613 611 HB2 ALA 74 HB2 ALA 74 2.401 -4.892 12.794 612 HB3 ALA 74 HB3 ALA 74 1.343 -5.081 14.192 613 H LEU 75 H LEU 75 0.770 -8.211 13.572 614 HA LEU 75 HA LEU 75 2.187 -9.767 11.788 615 HB2 LEU 75 HB2 LEU 75 0.272 -10.323 13.981 616 HB3 LEU 75 HB3 LEU 75 0.651 -11.651 12.887 617 HG LEU 75 HG LEU 75 2.041 -11.751 14.871 618 HD11 LEU 75 HD11 LEU 75 4.046 -10.835 12.925 619 HD12 LEU 75 HD12 LEU 75 2.895 -12.029 12.326 620 HD13 LEU 75 HD13 LEU 75 3.879 -12.388 13.744 621 HD21 LEU 75 HD21 LEU 75 3.471 -10.036 15.581 622 HD22 LEU 75 HD22 LEU 75 1.946 -9.226 15.223 623 HD23 LEU 75 HD23 LEU 75 3.283 -9.136 14.076 624 H LYS 76 H LYS 76 -1.333 -9.365 12.022 625 HA LYS 76 HA LYS 76 -2.149 -11.169 10.101 626 HB2 LYS 76 HB2 LYS 76 -3.247 -8.557 11.062 627 HB3 LYS 76 HB3 LYS 76 -4.002 -9.348 9.685 628 HG2 LYS 76 HG2 LYS 76 -3.518 -10.910 12.176 629 HG3 LYS 76 HG3 LYS 76 -4.870 -9.778 12.106 630 HD2 LYS 76 HD2 LYS 76 -5.647 -10.915 10.040 631 HD3 LYS 76 HD3 LYS 76 -4.354 -12.099 10.248 632 HE2 LYS 76 HE2 LYS 76 -6.172 -11.612 12.545 633 HE3 LYS 76 HE3 LYS 76 -6.815 -12.503 11.167 634 HZ1 LYS 76 HZ1 LYS 76 -4.974 -14.064 11.374 635 HZ2 LYS 76 HZ2 LYS 76 -5.877 -13.999 12.802 636 HZ3 LYS 76 HZ3 LYS 76 -4.381 -13.216 12.713 637 H ASP 77 H ASP 77 -0.798 -7.954 9.683 638 HA ASP 77 HA ASP 77 -1.226 -8.004 6.813 639 HB2 ASP 77 HB2 ASP 77 -1.196 -5.943 8.502 640 HB3 ASP 77 HB3 ASP 77 0.518 -5.957 8.097 641 H ALA 78 H ALA 78 1.303 -8.658 9.106 642 HA ALA 78 HA ALA 78 3.555 -8.453 7.467 643 HB1 ALA 78 HB1 ALA 78 4.406 -10.346 9.064 644 HB2 ALA 78 HB2 ALA 78 4.099 -8.722 9.680 645 HB3 ALA 78 HB3 ALA 78 2.910 -10.000 9.931 646 H TYR 79 H TYR 79 1.564 -11.324 8.179 647 HA TYR 79 HA TYR 79 2.941 -12.926 6.234 648 HB2 TYR 79 HB2 TYR 79 1.725 -14.700 7.044 649 HB3 TYR 79 HB3 TYR 79 1.634 -13.618 8.429 650 HD1 TYR 79 HD1 TYR 79 -0.225 -15.379 5.896 651 HD2 TYR 79 HD2 TYR 79 -0.448 -12.243 8.762 652 HE1 TYR 79 HE1 TYR 79 -2.681 -15.469 5.794 653 HE2 TYR 79 HE2 TYR 79 -2.904 -12.325 8.669 654 HH TYR 79 HH TYR 79 -4.618 -13.527 6.364 655 H TYR 80 H TYR 80 0.026 -11.005 6.328 656 HA TYR 80 HA TYR 80 -1.337 -12.004 4.123 657 HB2 TYR 80 HB2 TYR 80 -2.398 -10.392 5.546 658 HB3 TYR 80 HB3 TYR 80 -1.159 -9.189 5.205 659 HD1 TYR 80 HD1 TYR 80 -3.843 -11.176 3.555 660 HD2 TYR 80 HD2 TYR 80 -1.481 -7.638 3.495 661 HE1 TYR 80 HE1 TYR 80 -5.210 -10.301 1.707 662 HE2 TYR 80 HE2 TYR 80 -2.842 -6.753 1.648 663 HH TYR 80 HH TYR 80 -5.704 -8.458 0.493 664 H VAL 81 H VAL 81 0.921 -9.241 4.187 665 HA VAL 81 HA VAL 81 0.996 -8.809 1.427 666 HB VAL 81 HB VAL 81 3.110 -7.617 1.814 667 HG11 VAL 81 HG11 VAL 81 0.619 -7.137 3.186 668 HG12 VAL 81 HG12 VAL 81 1.977 -6.449 4.079 669 HG13 VAL 81 HG13 VAL 81 1.705 -5.994 2.396 670 HG21 VAL 81 HG21 VAL 81 2.921 -8.817 4.573 671 HG22 VAL 81 HG22 VAL 81 4.187 -9.093 3.377 672 HG23 VAL 81 HG23 VAL 81 4.014 -7.507 4.128 673 H GLY 82 H GLY 82 2.791 -11.042 3.461 674 HA2 GLY 82 HA2 GLY 82 4.805 -11.765 1.645 675 HA3 GLY 82 HA3 GLY 82 4.203 -12.776 2.949 676 H ILE 83 H ILE 83 1.469 -12.807 1.914 677 HA ILE 83 HA ILE 83 1.723 -15.067 0.199 678 HB ILE 83 HB ILE 83 -0.741 -13.472 0.912 679 HG12 ILE 83 HG12 ILE 83 0.131 -16.122 2.057 680 HG13 ILE 83 HG13 ILE 83 0.599 -14.590 2.785 681 HG21 ILE 83 HG21 ILE 83 -0.402 -16.149 -0.422 682 HG22 ILE 83 HG22 ILE 83 -1.921 -15.596 0.281 683 HG23 ILE 83 HG23 ILE 83 -1.200 -14.713 -1.064 684 HD11 ILE 83 HD11 ILE 83 -1.913 -14.081 2.833 685 HD12 ILE 83 HD12 ILE 83 -2.119 -15.812 2.560 686 HD13 ILE 83 HD13 ILE 83 -1.267 -15.240 3.994 687 H ARG 84 H ARG 84 0.160 -11.901 -0.334 688 HA ARG 84 HA ARG 84 -0.344 -12.170 -3.039 689 HB2 ARG 84 HB2 ARG 84 -0.274 -9.666 -3.109 690 HB3 ARG 84 HB3 ARG 84 -1.284 -10.330 -1.832 691 HG2 ARG 84 HG2 ARG 84 0.222 -9.731 -0.160 692 HG3 ARG 84 HG3 ARG 84 1.552 -9.532 -1.303 693 HD2 ARG 84 HD2 ARG 84 -0.792 -7.804 -1.750 694 HD3 ARG 84 HD3 ARG 84 0.119 -7.487 -0.275 695 HE ARG 84 HE ARG 84 1.739 -7.712 -2.648 696 HH11 ARG 84 HH11 ARG 84 -0.105 -5.581 -0.604 697 HH12 ARG 84 HH12 ARG 84 0.738 -4.154 -1.110 698 HH21 ARG 84 HH21 ARG 84 2.857 -5.841 -3.321 699 HH22 ARG 84 HH22 ARG 84 2.422 -4.303 -2.656 700 H THR 85 H THR 85 2.642 -11.393 -1.405 701 HA THR 85 HA THR 85 4.004 -10.646 -3.848 702 HB THR 85 HB THR 85 5.130 -11.114 -1.080 703 HG1 THR 85 HG1 THR 85 4.659 -8.621 -2.358 704 HG21 THR 85 HG21 THR 85 7.021 -11.221 -2.362 705 HG22 THR 85 HG22 THR 85 6.889 -9.470 -2.199 706 HG23 THR 85 HG23 THR 85 6.322 -10.264 -3.668 707 H GLY 86 H GLY 86 3.707 -13.451 -1.765 708 HA2 GLY 86 HA2 GLY 86 5.876 -14.903 -2.943 709 HA3 GLY 86 HA3 GLY 86 4.631 -15.561 -1.892 710 H ARG 87 H ARG 87 2.405 -14.733 -3.517 711 HA ARG 87 HA ARG 87 2.654 -16.759 -5.622 712 HB2 ARG 87 HB2 ARG 87 0.851 -17.108 -4.013 713 HB3 ARG 87 HB3 ARG 87 0.202 -15.513 -4.367 714 HG2 ARG 87 HG2 ARG 87 -0.523 -16.154 -6.497 715 HG3 ARG 87 HG3 ARG 87 0.482 -17.604 -6.496 716 HD2 ARG 87 HD2 ARG 87 -0.937 -18.741 -5.057 717 HD3 ARG 87 HD3 ARG 87 -1.661 -17.257 -4.440 718 HE ARG 87 HE ARG 87 -2.412 -17.257 -7.030 719 HH11 ARG 87 HH11 ARG 87 -2.595 -19.650 -4.508 720 HH12 ARG 87 HH12 ARG 87 -4.031 -20.390 -5.135 721 HH21 ARG 87 HH21 ARG 87 -4.303 -18.222 -7.865 722 HH22 ARG 87 HH22 ARG 87 -5.001 -19.578 -7.045 723 H GLY 88 H GLY 88 2.156 -13.371 -5.099 724 HA2 GLY 88 HA2 GLY 88 2.509 -11.726 -6.748 725 HA3 GLY 88 HA3 GLY 88 2.240 -12.942 -7.988 726 H LEU 89 H LEU 89 0.092 -12.435 -5.263 727 HA LEU 89 HA LEU 89 -2.085 -11.898 -7.109 728 HB2 LEU 89 HB2 LEU 89 -1.802 -12.927 -4.407 729 HB3 LEU 89 HB3 LEU 89 -3.100 -11.743 -4.540 730 HG LEU 89 HG LEU 89 -3.088 -13.844 -6.606 731 HD11 LEU 89 HD11 LEU 89 -3.653 -15.643 -5.299 732 HD12 LEU 89 HD12 LEU 89 -4.128 -14.641 -3.929 733 HD13 LEU 89 HD13 LEU 89 -2.420 -14.879 -4.296 734 HD21 LEU 89 HD21 LEU 89 -5.476 -13.764 -6.208 735 HD22 LEU 89 HD22 LEU 89 -4.841 -12.129 -6.395 736 HD23 LEU 89 HD23 LEU 89 -5.231 -12.747 -4.789 737 H LYS 90 H LYS 90 -3.783 -10.263 -6.103 738 HA LYS 90 HA LYS 90 -2.315 -7.778 -5.502 739 HB2 LYS 90 HB2 LYS 90 -3.379 -7.918 -7.784 740 HB3 LYS 90 HB3 LYS 90 -4.942 -7.982 -6.979 741 HG2 LYS 90 HG2 LYS 90 -4.800 -5.753 -7.444 742 HG3 LYS 90 HG3 LYS 90 -4.090 -5.786 -5.829 743 HD2 LYS 90 HD2 LYS 90 -2.315 -6.121 -8.204 744 HD3 LYS 90 HD3 LYS 90 -2.904 -4.508 -7.793 745 HE2 LYS 90 HE2 LYS 90 -2.091 -5.161 -5.390 746 HE3 LYS 90 HE3 LYS 90 -1.093 -6.322 -6.263 747 HZ1 LYS 90 HZ1 LYS 90 -0.670 -4.066 -7.654 748 HZ2 LYS 90 HZ2 LYS 90 0.328 -4.618 -6.406 749 HZ3 LYS 90 HZ3 LYS 90 -0.853 -3.450 -6.089 750 H VAL 91 H VAL 91 -2.881 -6.685 -3.724 751 HA VAL 91 HA VAL 91 -4.447 -7.747 -1.716 752 HB VAL 91 HB VAL 91 -4.558 -5.376 -0.812 753 HG11 VAL 91 HG11 VAL 91 -2.403 -5.509 -0.003 754 HG12 VAL 91 HG12 VAL 91 -2.679 -7.166 -0.546 755 HG13 VAL 91 HG13 VAL 91 -1.744 -6.053 -1.546 756 HG21 VAL 91 HG21 VAL 91 -4.027 -4.718 -3.459 757 HG22 VAL 91 HG22 VAL 91 -4.009 -3.624 -2.075 758 HG23 VAL 91 HG23 VAL 91 -2.515 -4.394 -2.610 759 H ASP 92 H ASP 92 -6.545 -8.181 -1.710 760 HA ASP 92 HA ASP 92 -8.381 -6.263 -2.990 761 HB2 ASP 92 HB2 ASP 92 -9.908 -8.294 -3.268 762 HB3 ASP 92 HB3 ASP 92 -8.497 -8.213 -4.319 763 H LEU 93 H LEU 93 -7.494 -6.129 -0.285 764 HA LEU 93 HA LEU 93 -9.199 -7.310 1.575 765 HB2 LEU 93 HB2 LEU 93 -7.507 -4.867 1.528 766 HB3 LEU 93 HB3 LEU 93 -8.677 -5.039 2.835 767 HG LEU 93 HG LEU 93 -7.106 -7.446 2.513 768 HD11 LEU 93 HD11 LEU 93 -5.622 -4.868 2.996 769 HD12 LEU 93 HD12 LEU 93 -5.367 -6.011 1.678 770 HD13 LEU 93 HD13 LEU 93 -4.981 -6.476 3.335 771 HD21 LEU 93 HD21 LEU 93 -6.616 -6.881 4.937 772 HD22 LEU 93 HD22 LEU 93 -8.312 -7.103 4.507 773 HD23 LEU 93 HD23 LEU 93 -7.661 -5.477 4.716 774 HA PRO 94 HA PRO 94 -13.079 -5.285 1.263 775 HB2 PRO 94 HB2 PRO 94 -13.779 -4.954 3.865 776 HB3 PRO 94 HB3 PRO 94 -13.769 -6.530 3.066 777 HG2 PRO 94 HG2 PRO 94 -11.714 -5.305 4.866 778 HG3 PRO 94 HG3 PRO 94 -12.333 -6.967 4.843 779 HD2 PRO 94 HD2 PRO 94 -9.962 -6.281 3.731 780 HD3 PRO 94 HD3 PRO 94 -10.981 -7.580 3.080 Start of MODEL 5 1 H MET 1 H MET 1 1.979 1.686 0.718 2 HA MET 1 HA MET 1 0.831 0.315 -1.412 3 HB2 MET 1 HB2 MET 1 2.683 1.171 -2.763 4 HB3 MET 1 HB3 MET 1 2.066 2.412 -1.680 5 HG2 MET 1 HG2 MET 1 3.976 1.606 -0.110 6 HG3 MET 1 HG3 MET 1 4.655 0.939 -1.593 7 HE1 MET 1 HE1 MET 1 6.245 4.380 -0.182 8 HE2 MET 1 HE2 MET 1 4.607 4.486 0.463 9 HE3 MET 1 HE3 MET 1 5.509 2.974 0.587 10 H THR 2 H THR 2 3.661 -0.458 0.527 11 HA THR 2 HA THR 2 3.847 -3.036 -0.892 12 HB THR 2 HB THR 2 5.865 -1.998 -1.444 13 HG1 THR 2 HG1 THR 2 7.045 -3.578 -0.688 14 HG21 THR 2 HG21 THR 2 6.086 -0.038 -0.293 15 HG22 THR 2 HG22 THR 2 7.249 -1.013 0.605 16 HG23 THR 2 HG23 THR 2 5.626 -0.762 1.247 17 HA PRO 3 HA PRO 3 3.082 -5.002 2.968 18 HB2 PRO 3 HB2 PRO 3 4.303 -7.384 2.517 19 HB3 PRO 3 HB3 PRO 3 2.771 -6.932 1.760 20 HG2 PRO 3 HG2 PRO 3 5.543 -6.829 0.634 21 HG3 PRO 3 HG3 PRO 3 4.043 -7.379 -0.135 22 HD2 PRO 3 HD2 PRO 3 5.104 -4.931 -0.596 23 HD3 PRO 3 HD3 PRO 3 3.355 -5.232 -0.616 24 H ILE 4 H ILE 4 6.383 -4.936 1.721 25 HA ILE 4 HA ILE 4 7.804 -5.848 3.900 26 HB ILE 4 HB ILE 4 8.785 -5.205 1.696 27 HG12 ILE 4 HG12 ILE 4 10.395 -3.692 3.673 28 HG13 ILE 4 HG13 ILE 4 9.972 -5.342 4.114 29 HG21 ILE 4 HG21 ILE 4 7.575 -2.834 2.019 30 HG22 ILE 4 HG22 ILE 4 9.189 -2.424 2.599 31 HG23 ILE 4 HG23 ILE 4 8.975 -3.071 0.972 32 HD11 ILE 4 HD11 ILE 4 11.075 -6.218 2.207 33 HD12 ILE 4 HD12 ILE 4 11.291 -4.609 1.517 34 HD13 ILE 4 HD13 ILE 4 12.174 -5.071 2.972 35 H GLU 5 H GLU 5 6.228 -2.759 3.441 36 HA GLU 5 HA GLU 5 7.465 -1.483 5.685 37 HB2 GLU 5 HB2 GLU 5 5.975 -0.624 3.526 38 HB3 GLU 5 HB3 GLU 5 4.866 -0.418 4.873 39 HG2 GLU 5 HG2 GLU 5 6.535 0.928 6.044 40 HG3 GLU 5 HG3 GLU 5 7.644 0.726 4.688 41 H TYR 6 H TYR 6 4.385 -3.121 5.109 42 HA TYR 6 HA TYR 6 3.215 -2.567 7.608 43 HB2 TYR 6 HB2 TYR 6 2.770 -4.865 5.694 44 HB3 TYR 6 HB3 TYR 6 1.756 -4.537 7.095 45 HD1 TYR 6 HD1 TYR 6 1.359 -4.491 3.872 46 HD2 TYR 6 HD2 TYR 6 1.567 -1.585 6.973 47 HE1 TYR 6 HE1 TYR 6 -0.006 -2.957 2.518 48 HE2 TYR 6 HE2 TYR 6 0.202 -0.043 5.628 49 HH TYR 6 HH TYR 6 -1.677 -0.705 3.413 50 H ILE 7 H ILE 7 4.999 -5.428 6.465 51 HA ILE 7 HA ILE 7 4.919 -6.811 8.926 52 HB ILE 7 HB ILE 7 6.743 -8.192 8.009 53 HG12 ILE 7 HG12 ILE 7 7.090 -7.458 5.413 54 HG13 ILE 7 HG13 ILE 7 6.968 -5.881 6.186 55 HG21 ILE 7 HG21 ILE 7 4.148 -7.809 6.922 56 HG22 ILE 7 HG22 ILE 7 5.245 -8.213 5.602 57 HG23 ILE 7 HG23 ILE 7 5.105 -9.289 6.993 58 HD11 ILE 7 HD11 ILE 7 8.731 -7.714 7.598 59 HD12 ILE 7 HD12 ILE 7 9.242 -7.377 5.944 60 HD13 ILE 7 HD13 ILE 7 8.997 -6.050 7.079 61 H ASP 8 H ASP 8 7.188 -4.498 7.554 62 HA ASP 8 HA ASP 8 9.213 -4.829 9.514 63 HB2 ASP 8 HB2 ASP 8 9.788 -3.817 7.413 64 HB3 ASP 8 HB3 ASP 8 8.584 -2.551 7.632 65 H ARG 9 H ARG 9 6.339 -2.832 9.303 66 HA ARG 9 HA ARG 9 6.908 -1.044 11.390 67 HB2 ARG 9 HB2 ARG 9 5.038 -0.866 9.700 68 HB3 ARG 9 HB3 ARG 9 4.169 -2.068 10.644 69 HG2 ARG 9 HG2 ARG 9 3.293 -0.061 11.394 70 HG3 ARG 9 HG3 ARG 9 4.503 -0.454 12.617 71 HD2 ARG 9 HD2 ARG 9 6.053 1.097 11.699 72 HD3 ARG 9 HD3 ARG 9 5.063 1.329 10.259 73 HE ARG 9 HE ARG 9 3.543 2.063 12.483 74 HH11 ARG 9 HH11 ARG 9 6.386 3.110 10.768 75 HH12 ARG 9 HH12 ARG 9 6.186 4.778 11.192 76 HH21 ARG 9 HH21 ARG 9 3.269 4.256 13.048 77 HH22 ARG 9 HH22 ARG 9 4.413 5.429 12.490 78 H ALA 10 H ALA 10 5.239 -4.176 11.401 79 HA ALA 10 HA ALA 10 4.431 -4.275 14.042 80 HB1 ALA 10 HB1 ALA 10 4.075 -6.527 13.737 81 HB2 ALA 10 HB2 ALA 10 4.107 -5.955 12.069 82 HB3 ALA 10 HB3 ALA 10 5.529 -6.736 12.761 83 H LEU 11 H LEU 11 7.613 -4.853 12.669 84 HA LEU 11 HA LEU 11 8.903 -6.104 14.758 85 HB2 LEU 11 HB2 LEU 11 9.669 -5.090 12.373 86 HB3 LEU 11 HB3 LEU 11 10.417 -3.930 13.468 87 HG LEU 11 HG LEU 11 11.192 -6.295 14.575 88 HD11 LEU 11 HD11 LEU 11 12.142 -7.373 12.328 89 HD12 LEU 11 HD12 LEU 11 10.613 -6.748 11.710 90 HD13 LEU 11 HD13 LEU 11 10.621 -7.879 13.063 91 HD21 LEU 11 HD21 LEU 11 12.401 -4.302 12.756 92 HD22 LEU 11 HD22 LEU 11 13.282 -5.814 12.977 93 HD23 LEU 11 HD23 LEU 11 12.889 -4.809 14.373 94 H ALA 12 H ALA 12 8.226 -2.660 14.340 95 HA ALA 12 HA ALA 12 9.671 -1.740 16.577 96 HB1 ALA 12 HB1 ALA 12 7.208 -0.476 15.389 97 HB2 ALA 12 HB2 ALA 12 8.478 0.318 16.320 98 HB3 ALA 12 HB3 ALA 12 8.829 -0.317 14.713 99 H LEU 13 H LEU 13 6.237 -2.583 16.192 100 HA LEU 13 HA LEU 13 5.492 -2.016 18.852 101 HB2 LEU 13 HB2 LEU 13 4.241 -3.960 16.918 102 HB3 LEU 13 HB3 LEU 13 3.485 -3.315 18.373 103 HG LEU 13 HG LEU 13 4.372 -1.481 16.176 104 HD11 LEU 13 HD11 LEU 13 1.736 -1.745 15.688 105 HD12 LEU 13 HD12 LEU 13 2.143 -3.403 16.129 106 HD13 LEU 13 HD13 LEU 13 2.992 -2.610 14.802 107 HD21 LEU 13 HD21 LEU 13 2.654 -1.361 18.584 108 HD22 LEU 13 HD22 LEU 13 2.136 -0.430 17.179 109 HD23 LEU 13 HD23 LEU 13 3.725 -0.144 17.890 110 H VAL 14 H VAL 14 6.762 -4.896 17.293 111 HA VAL 14 HA VAL 14 6.270 -6.728 19.374 112 HB VAL 14 HB VAL 14 8.482 -6.745 17.316 113 HG11 VAL 14 HG11 VAL 14 9.184 -8.256 18.949 114 HG12 VAL 14 HG12 VAL 14 7.539 -8.797 19.289 115 HG13 VAL 14 HG13 VAL 14 8.330 -9.267 17.784 116 HG21 VAL 14 HG21 VAL 14 5.836 -6.838 16.812 117 HG22 VAL 14 HG22 VAL 14 7.048 -7.667 15.835 118 HG23 VAL 14 HG23 VAL 14 6.164 -8.550 17.079 119 H VAL 15 H VAL 15 9.080 -4.683 18.656 120 HA VAL 15 HA VAL 15 10.844 -5.571 20.579 121 HB VAL 15 HB VAL 15 10.426 -2.701 19.731 122 HG11 VAL 15 HG11 VAL 15 12.442 -4.056 21.409 123 HG12 VAL 15 HG12 VAL 15 13.059 -2.906 20.220 124 HG13 VAL 15 HG13 VAL 15 11.885 -2.383 21.429 125 HG21 VAL 15 HG21 VAL 15 12.669 -3.840 18.472 126 HG22 VAL 15 HG22 VAL 15 11.350 -4.996 18.285 127 HG23 VAL 15 HG23 VAL 15 11.152 -3.334 17.728 128 H ASP 16 H ASP 16 8.081 -3.430 20.942 129 HA ASP 16 HA ASP 16 8.649 -2.588 23.588 130 HB2 ASP 16 HB2 ASP 16 7.030 -1.513 21.943 131 HB3 ASP 16 HB3 ASP 16 5.898 -2.796 22.364 132 H ARG 17 H ARG 17 6.859 -5.305 22.241 133 HA ARG 17 HA ARG 17 5.860 -6.191 24.780 134 HB2 ARG 17 HB2 ARG 17 5.579 -6.955 21.991 135 HB3 ARG 17 HB3 ARG 17 5.761 -8.359 23.034 136 HG2 ARG 17 HG2 ARG 17 3.732 -6.173 23.445 137 HG3 ARG 17 HG3 ARG 17 3.410 -7.715 22.650 138 HD2 ARG 17 HD2 ARG 17 3.533 -8.904 24.602 139 HD3 ARG 17 HD3 ARG 17 4.638 -7.756 25.357 140 HE ARG 17 HE ARG 17 2.329 -6.356 25.130 141 HH11 ARG 17 HH11 ARG 17 3.139 -9.459 26.485 142 HH12 ARG 17 HH12 ARG 17 1.898 -9.401 27.692 143 HH21 ARG 17 HH21 ARG 17 0.691 -6.269 26.715 144 HH22 ARG 17 HH22 ARG 17 0.506 -7.587 27.822 145 H LEU 18 H LEU 18 8.568 -7.030 22.686 146 HA LEU 18 HA LEU 18 9.448 -9.363 23.863 147 HB2 LEU 18 HB2 LEU 18 10.625 -7.232 22.257 148 HB3 LEU 18 HB3 LEU 18 11.791 -8.032 23.309 149 HG LEU 18 HG LEU 18 11.656 -8.948 20.987 150 HD11 LEU 18 HD11 LEU 18 12.160 -10.210 23.299 151 HD12 LEU 18 HD12 LEU 18 12.248 -10.997 21.724 152 HD13 LEU 18 HD13 LEU 18 10.804 -11.179 22.720 153 HD21 LEU 18 HD21 LEU 18 9.114 -10.297 21.785 154 HD22 LEU 18 HD22 LEU 18 9.795 -10.041 20.178 155 HD23 LEU 18 HD23 LEU 18 9.061 -8.694 21.050 156 H ALA 19 H ALA 19 10.372 -6.037 24.746 157 HA ALA 19 HA ALA 19 12.050 -6.660 26.879 158 HB1 ALA 19 HB1 ALA 19 11.142 -4.347 25.695 159 HB2 ALA 19 HB2 ALA 19 10.487 -4.248 27.330 160 HB3 ALA 19 HB3 ALA 19 12.223 -4.446 27.086 161 H ARG 20 H ARG 20 8.546 -6.369 26.744 162 HA ARG 20 HA ARG 20 8.141 -6.481 29.563 163 HB2 ARG 20 HB2 ARG 20 6.364 -6.802 27.166 164 HB3 ARG 20 HB3 ARG 20 5.760 -7.171 28.775 165 HG2 ARG 20 HG2 ARG 20 6.952 -4.527 27.971 166 HG3 ARG 20 HG3 ARG 20 5.223 -4.883 28.003 167 HD2 ARG 20 HD2 ARG 20 5.466 -5.461 30.420 168 HD3 ARG 20 HD3 ARG 20 7.133 -4.892 30.334 169 HE ARG 20 HE ARG 20 5.576 -2.827 29.381 170 HH11 ARG 20 HH11 ARG 20 5.859 -4.635 32.343 171 HH12 ARG 20 HH12 ARG 20 5.344 -3.320 33.347 172 HH21 ARG 20 HH21 ARG 20 4.897 -1.089 30.692 173 HH22 ARG 20 HH22 ARG 20 4.797 -1.304 32.407 174 H TYR 21 H TYR 21 8.313 -8.867 26.991 175 HA TYR 21 HA TYR 21 8.305 -10.976 29.038 176 HB2 TYR 21 HB2 TYR 21 6.718 -10.877 26.486 177 HB3 TYR 21 HB3 TYR 21 7.156 -12.415 27.221 178 HD1 TYR 21 HD1 TYR 21 5.469 -9.183 27.996 179 HD2 TYR 21 HD2 TYR 21 5.801 -13.332 28.877 180 HE1 TYR 21 HE1 TYR 21 3.521 -9.015 29.488 181 HE2 TYR 21 HE2 TYR 21 3.853 -13.176 30.371 182 HH TYR 21 HH TYR 21 2.048 -11.852 30.910 183 HA PRO 22 HA PRO 22 12.038 -11.196 26.270 184 HB2 PRO 22 HB2 PRO 22 13.821 -11.463 28.299 185 HB3 PRO 22 HB3 PRO 22 13.280 -9.892 27.697 186 HG2 PRO 22 HG2 PRO 22 12.360 -11.419 30.102 187 HG3 PRO 22 HG3 PRO 22 12.705 -9.687 29.941 188 HD2 PRO 22 HD2 PRO 22 10.187 -10.682 29.890 189 HD3 PRO 22 HD3 PRO 22 10.664 -9.243 28.966 190 H GLY 23 H GLY 23 10.868 -13.273 25.808 191 HA2 GLY 23 HA2 GLY 23 12.180 -15.494 25.702 192 HA3 GLY 23 HA3 GLY 23 11.863 -15.517 27.430 193 H TYR 24 H TYR 24 9.672 -14.422 24.886 194 HA TYR 24 HA TYR 24 7.724 -16.401 25.814 195 HB2 TYR 24 HB2 TYR 24 7.452 -13.724 25.280 196 HB3 TYR 24 HB3 TYR 24 6.845 -14.455 23.798 197 HD1 TYR 24 HD1 TYR 24 4.546 -14.537 23.769 198 HD2 TYR 24 HD2 TYR 24 6.566 -15.294 27.436 199 HE1 TYR 24 HE1 TYR 24 2.385 -14.967 24.863 200 HE2 TYR 24 HE2 TYR 24 4.411 -15.727 28.540 201 HH TYR 24 HH TYR 24 1.510 -16.149 26.808 202 H GLU 25 H GLU 25 7.354 -18.181 24.682 203 HA GLU 25 HA GLU 25 8.679 -18.852 22.326 204 HB2 GLU 25 HB2 GLU 25 6.315 -19.979 23.774 205 HB3 GLU 25 HB3 GLU 25 6.718 -20.597 22.178 206 HG2 GLU 25 HG2 GLU 25 8.718 -20.471 24.412 207 HG3 GLU 25 HG3 GLU 25 7.654 -21.854 24.159 208 H VAL 26 H VAL 26 5.429 -17.553 22.823 209 HA VAL 26 HA VAL 26 4.590 -17.726 20.129 210 HB VAL 26 HB VAL 26 3.641 -15.750 22.206 211 HG11 VAL 26 HG11 VAL 26 2.743 -16.516 19.501 212 HG12 VAL 26 HG12 VAL 26 1.480 -16.335 20.720 213 HG13 VAL 26 HG13 VAL 26 2.566 -14.991 20.368 214 HG21 VAL 26 HG21 VAL 26 3.390 -17.854 23.221 215 HG22 VAL 26 HG22 VAL 26 1.810 -17.496 22.524 216 HG23 VAL 26 HG23 VAL 26 2.899 -18.619 21.709 217 H LEU 27 H LEU 27 6.330 -15.275 21.949 218 HA LEU 27 HA LEU 27 6.152 -13.226 19.994 219 HB2 LEU 27 HB2 LEU 27 7.973 -13.717 22.328 220 HB3 LEU 27 HB3 LEU 27 8.204 -12.340 21.251 221 HG LEU 27 HG LEU 27 5.686 -12.863 22.828 222 HD11 LEU 27 HD11 LEU 27 8.201 -11.920 23.730 223 HD12 LEU 27 HD12 LEU 27 6.676 -12.002 24.611 224 HD13 LEU 27 HD13 LEU 27 7.088 -10.552 23.696 225 HD21 LEU 27 HD21 LEU 27 4.804 -11.047 21.855 226 HD22 LEU 27 HD22 LEU 27 6.012 -11.328 20.601 227 HD23 LEU 27 HD23 LEU 27 6.332 -10.165 21.889 228 H LEU 28 H LEU 28 8.778 -15.482 20.841 229 HA LEU 28 HA LEU 28 10.500 -14.682 18.751 230 HB2 LEU 28 HB2 LEU 28 11.659 -16.838 19.208 231 HB3 LEU 28 HB3 LEU 28 11.417 -15.819 20.625 232 HG LEU 28 HG LEU 28 9.280 -17.360 20.913 233 HD11 LEU 28 HD11 LEU 28 10.772 -19.655 20.175 234 HD12 LEU 28 HD12 LEU 28 10.653 -18.604 18.765 235 HD13 LEU 28 HD13 LEU 28 9.190 -19.135 19.594 236 HD21 LEU 28 HD21 LEU 28 10.693 -18.854 22.332 237 HD22 LEU 28 HD22 LEU 28 10.949 -17.130 22.606 238 HD23 LEU 28 HD23 LEU 28 12.115 -18.056 21.659 239 H SER 29 H SER 29 7.966 -17.104 18.973 240 HA SER 29 HA SER 29 8.563 -18.380 16.496 241 HB2 SER 29 HB2 SER 29 6.134 -18.379 18.286 242 HB3 SER 29 HB3 SER 29 6.178 -19.271 16.766 243 HG SER 29 HG SER 29 6.987 -20.165 19.023 244 H ALA 30 H ALA 30 6.208 -15.918 17.487 245 HA ALA 30 HA ALA 30 5.032 -15.627 14.917 246 HB1 ALA 30 HB1 ALA 30 5.016 -13.896 17.375 247 HB2 ALA 30 HB2 ALA 30 4.155 -13.464 15.897 248 HB3 ALA 30 HB3 ALA 30 3.733 -14.941 16.763 249 H GLU 31 H GLU 31 7.353 -13.599 16.713 250 HA GLU 31 HA GLU 31 7.785 -11.654 14.799 251 HB2 GLU 31 HB2 GLU 31 9.763 -11.092 15.957 252 HB3 GLU 31 HB3 GLU 31 8.686 -11.759 17.176 253 HG2 GLU 31 HG2 GLU 31 9.859 -13.905 17.023 254 HG3 GLU 31 HG3 GLU 31 10.954 -13.210 15.830 255 H LYS 32 H LYS 32 9.051 -14.911 14.976 256 HA LYS 32 HA LYS 32 11.103 -14.655 13.060 257 HB2 LYS 32 HB2 LYS 32 9.611 -16.897 14.309 258 HB3 LYS 32 HB3 LYS 32 10.435 -17.243 12.795 259 HG2 LYS 32 HG2 LYS 32 12.544 -16.513 13.748 260 HG3 LYS 32 HG3 LYS 32 11.732 -16.091 15.257 261 HD2 LYS 32 HD2 LYS 32 11.376 -18.304 15.835 262 HD3 LYS 32 HD3 LYS 32 11.505 -18.866 14.167 263 HE2 LYS 32 HE2 LYS 32 13.832 -17.705 15.679 264 HE3 LYS 32 HE3 LYS 32 13.442 -19.424 15.707 265 HZ1 LYS 32 HZ1 LYS 32 13.511 -18.396 13.048 266 HZ2 LYS 32 HZ2 LYS 32 14.353 -19.702 13.716 267 HZ3 LYS 32 HZ3 LYS 32 14.980 -18.136 13.846 268 H GLN 33 H GLN 33 7.657 -15.236 12.787 269 HA GLN 33 HA GLN 33 7.526 -16.127 10.150 270 HB2 GLN 33 HB2 GLN 33 5.639 -16.038 11.820 271 HB3 GLN 33 HB3 GLN 33 5.509 -14.317 11.480 272 HG2 GLN 33 HG2 GLN 33 3.891 -15.788 10.261 273 HG3 GLN 33 HG3 GLN 33 4.849 -14.709 9.248 274 HE21 GLN 33 HE21 GLN 33 4.788 -18.011 10.515 275 HE22 GLN 33 HE22 GLN 33 5.496 -18.746 9.122 276 H LEU 34 H LEU 34 7.028 -12.790 11.316 277 HA LEU 34 HA LEU 34 6.892 -11.549 8.843 278 HB2 LEU 34 HB2 LEU 34 7.050 -9.555 9.962 279 HB3 LEU 34 HB3 LEU 34 6.542 -10.640 11.254 280 HG LEU 34 HG LEU 34 9.179 -10.789 11.619 281 HD11 LEU 34 HD11 LEU 34 10.397 -8.975 10.977 282 HD12 LEU 34 HD12 LEU 34 8.993 -7.910 10.916 283 HD13 LEU 34 HD13 LEU 34 9.278 -9.067 9.616 284 HD21 LEU 34 HD21 LEU 34 8.464 -8.392 12.903 285 HD22 LEU 34 HD22 LEU 34 8.423 -10.028 13.560 286 HD23 LEU 34 HD23 LEU 34 6.991 -9.355 12.780 287 H GLN 35 H GLN 35 9.671 -12.660 10.632 288 HA GLN 35 HA GLN 35 11.634 -11.218 9.173 289 HB2 GLN 35 HB2 GLN 35 11.910 -13.809 10.705 290 HB3 GLN 35 HB3 GLN 35 13.237 -12.784 10.174 291 HG2 GLN 35 HG2 GLN 35 11.174 -11.485 11.830 292 HG3 GLN 35 HG3 GLN 35 12.176 -12.693 12.631 293 HE21 GLN 35 HE21 GLN 35 11.942 -9.628 12.608 294 HE22 GLN 35 HE22 GLN 35 13.585 -9.107 12.494 295 H TYR 36 H TYR 36 10.080 -14.340 8.750 296 HA TYR 36 HA TYR 36 11.806 -15.290 6.709 297 HB2 TYR 36 HB2 TYR 36 10.526 -16.931 7.821 298 HB3 TYR 36 HB3 TYR 36 9.026 -16.041 7.590 299 HD1 TYR 36 HD1 TYR 36 11.664 -16.934 5.113 300 HD2 TYR 36 HD2 TYR 36 7.642 -17.476 6.389 301 HE1 TYR 36 HE1 TYR 36 11.205 -18.248 3.086 302 HE2 TYR 36 HE2 TYR 36 7.171 -18.793 4.366 303 HH TYR 36 HH TYR 36 9.726 -19.633 2.084 304 H ILE 37 H ILE 37 8.492 -13.979 6.533 305 HA ILE 37 HA ILE 37 8.265 -13.886 3.770 306 HB ILE 37 HB ILE 37 7.070 -11.955 5.762 307 HG12 ILE 37 HG12 ILE 37 5.226 -13.888 4.736 308 HG13 ILE 37 HG13 ILE 37 6.639 -14.734 5.358 309 HG21 ILE 37 HG21 ILE 37 6.517 -10.867 3.868 310 HG22 ILE 37 HG22 ILE 37 6.789 -12.281 2.851 311 HG23 ILE 37 HG23 ILE 37 5.280 -12.118 3.749 312 HD11 ILE 37 HD11 ILE 37 5.749 -12.657 7.161 313 HD12 ILE 37 HD12 ILE 37 4.480 -13.833 6.817 314 HD13 ILE 37 HD13 ILE 37 6.032 -14.372 7.458 315 H ARG 38 H ARG 38 9.797 -11.624 5.978 316 HA ARG 38 HA ARG 38 10.166 -9.530 4.099 317 HB2 ARG 38 HB2 ARG 38 10.282 -9.001 6.429 318 HB3 ARG 38 HB3 ARG 38 11.545 -10.193 6.699 319 HG2 ARG 38 HG2 ARG 38 13.083 -8.862 5.332 320 HG3 ARG 38 HG3 ARG 38 11.814 -7.659 5.095 321 HD2 ARG 38 HD2 ARG 38 11.749 -7.213 7.474 322 HD3 ARG 38 HD3 ARG 38 12.930 -8.488 7.771 323 HE ARG 38 HE ARG 38 13.904 -6.500 5.965 324 HH11 ARG 38 HH11 ARG 38 13.401 -7.247 9.328 325 HH12 ARG 38 HH12 ARG 38 14.664 -6.199 9.884 326 HH21 ARG 38 HH21 ARG 38 15.569 -5.117 6.684 327 HH22 ARG 38 HH22 ARG 38 15.896 -4.987 8.379 328 H SER 39 H SER 39 12.312 -12.105 5.284 329 HA SER 39 HA SER 39 14.579 -11.423 3.811 330 HB2 SER 39 HB2 SER 39 14.296 -13.189 5.677 331 HB3 SER 39 HB3 SER 39 13.828 -14.284 4.376 332 HG SER 39 HG SER 39 15.967 -14.547 4.465 333 H VAL 40 H VAL 40 12.151 -13.917 3.022 334 HA VAL 40 HA VAL 40 13.070 -14.626 0.521 335 HB VAL 40 HB VAL 40 11.246 -15.806 1.652 336 HG11 VAL 40 HG11 VAL 40 10.060 -13.843 2.521 337 HG12 VAL 40 HG12 VAL 40 9.541 -13.439 0.884 338 HG13 VAL 40 HG13 VAL 40 8.978 -14.927 1.647 339 HG21 VAL 40 HG21 VAL 40 10.508 -16.625 -0.295 340 HG22 VAL 40 HG22 VAL 40 9.821 -15.077 -0.789 341 HG23 VAL 40 HG23 VAL 40 11.535 -15.404 -1.046 342 H LEU 41 H LEU 41 11.158 -11.833 1.455 343 HA LEU 41 HA LEU 41 10.222 -10.955 -0.984 344 HB2 LEU 41 HB2 LEU 41 10.107 -9.981 1.488 345 HB3 LEU 41 HB3 LEU 41 11.367 -8.925 0.853 346 HG LEU 41 HG LEU 41 8.677 -9.232 -0.463 347 HD11 LEU 41 HD11 LEU 41 8.047 -8.367 1.589 348 HD12 LEU 41 HD12 LEU 41 8.329 -6.915 0.629 349 HD13 LEU 41 HD13 LEU 41 9.546 -7.459 1.783 350 HD21 LEU 41 HD21 LEU 41 11.087 -7.551 -0.862 351 HD22 LEU 41 HD22 LEU 41 9.513 -6.798 -1.120 352 HD23 LEU 41 HD23 LEU 41 9.968 -8.230 -2.044 353 H LEU 42 H LEU 42 13.456 -10.692 0.363 354 HA LEU 42 HA LEU 42 14.355 -9.241 -2.021 355 HB2 LEU 42 HB2 LEU 42 15.517 -9.682 0.702 356 HB3 LEU 42 HB3 LEU 42 16.543 -9.186 -0.642 357 HG LEU 42 HG LEU 42 15.934 -7.260 0.672 358 HD11 LEU 42 HD11 LEU 42 15.851 -7.348 -1.974 359 HD12 LEU 42 HD12 LEU 42 15.455 -5.884 -1.075 360 HD13 LEU 42 HD13 LEU 42 14.164 -6.918 -1.685 361 HD21 LEU 42 HD21 LEU 42 13.647 -6.567 0.999 362 HD22 LEU 42 HD22 LEU 42 13.859 -8.200 1.632 363 HD23 LEU 42 HD23 LEU 42 13.059 -7.952 0.079 364 H ASP 43 H ASP 43 14.830 -12.227 -0.225 365 HA ASP 43 HA ASP 43 16.924 -13.175 -1.956 366 HB2 ASP 43 HB2 ASP 43 16.426 -13.787 0.545 367 HB3 ASP 43 HB3 ASP 43 15.340 -14.979 -0.164 368 H ARG 44 H ARG 44 16.635 -14.030 -3.897 369 HA ARG 44 HA ARG 44 13.970 -14.818 -4.748 370 HB2 ARG 44 HB2 ARG 44 16.582 -14.461 -6.212 371 HB3 ARG 44 HB3 ARG 44 15.141 -15.106 -6.987 372 HG2 ARG 44 HG2 ARG 44 15.102 -12.464 -5.577 373 HG3 ARG 44 HG3 ARG 44 15.643 -12.614 -7.250 374 HD2 ARG 44 HD2 ARG 44 13.012 -13.740 -6.354 375 HD3 ARG 44 HD3 ARG 44 13.173 -12.043 -6.803 376 HE ARG 44 HE ARG 44 14.210 -13.848 -8.778 377 HH11 ARG 44 HH11 ARG 44 11.350 -12.263 -7.583 378 HH12 ARG 44 HH12 ARG 44 10.512 -12.348 -9.097 379 HH21 ARG 44 HH21 ARG 44 13.117 -13.965 -10.777 380 HH22 ARG 44 HH22 ARG 44 11.518 -13.317 -10.913 381 H SER 45 H SER 45 17.128 -16.250 -4.169 382 HA SER 45 HA SER 45 16.653 -18.776 -5.293 383 HB2 SER 45 HB2 SER 45 18.546 -17.705 -3.242 384 HB3 SER 45 HB3 SER 45 18.400 -19.453 -3.423 385 HG SER 45 HG SER 45 18.670 -18.855 -5.801 386 H LEU 46 H LEU 46 15.931 -17.459 -2.109 387 HA LEU 46 HA LEU 46 15.278 -19.749 -0.717 388 HB2 LEU 46 HB2 LEU 46 14.288 -16.937 -0.627 389 HB3 LEU 46 HB3 LEU 46 13.481 -18.163 0.348 390 HG LEU 46 HG LEU 46 16.404 -17.432 0.525 391 HD11 LEU 46 HD11 LEU 46 14.407 -15.876 1.382 392 HD12 LEU 46 HD12 LEU 46 15.936 -16.039 2.244 393 HD13 LEU 46 HD13 LEU 46 14.529 -16.967 2.762 394 HD21 LEU 46 HD21 LEU 46 16.277 -19.659 1.191 395 HD22 LEU 46 HD22 LEU 46 14.689 -19.449 1.930 396 HD23 LEU 46 HD23 LEU 46 16.119 -18.768 2.705 397 H ASP 47 H ASP 47 13.351 -20.891 -0.353 398 HA ASP 47 HA ASP 47 11.840 -21.516 -2.616 399 HB2 ASP 47 HB2 ASP 47 11.415 -22.034 0.320 400 HB3 ASP 47 HB3 ASP 47 10.260 -22.588 -0.889 401 H ARG 48 H ARG 48 9.807 -20.957 -3.320 402 HA ARG 48 HA ARG 48 8.721 -18.484 -2.167 403 HB2 ARG 48 HB2 ARG 48 8.707 -19.669 -4.914 404 HB3 ARG 48 HB3 ARG 48 7.418 -18.566 -4.452 405 HG2 ARG 48 HG2 ARG 48 8.858 -17.056 -5.320 406 HG3 ARG 48 HG3 ARG 48 9.493 -17.096 -3.673 407 HD2 ARG 48 HD2 ARG 48 11.388 -17.307 -5.023 408 HD3 ARG 48 HD3 ARG 48 11.035 -18.957 -4.512 409 HE ARG 48 HE ARG 48 9.815 -18.286 -7.012 410 HH11 ARG 48 HH11 ARG 48 12.764 -19.346 -5.496 411 HH12 ARG 48 HH12 ARG 48 13.368 -20.128 -6.918 412 HH21 ARG 48 HH21 ARG 48 10.599 -19.312 -8.892 413 HH22 ARG 48 HH22 ARG 48 12.136 -20.108 -8.850 414 H SER 49 H SER 49 7.879 -21.758 -3.122 415 HA SER 49 HA SER 49 5.094 -21.573 -2.774 416 HB2 SER 49 HB2 SER 49 6.493 -23.464 -3.852 417 HB3 SER 49 HB3 SER 49 6.654 -24.085 -2.209 418 HG SER 49 HG SER 49 4.851 -25.044 -2.939 419 H ALA 50 H ALA 50 7.718 -22.167 -0.521 420 HA ALA 50 HA ALA 50 6.368 -23.143 1.675 421 HB1 ALA 50 HB1 ALA 50 8.549 -23.097 2.203 422 HB2 ALA 50 HB2 ALA 50 8.857 -21.651 1.241 423 HB3 ALA 50 HB3 ALA 50 8.175 -21.504 2.861 424 H LEU 51 H LEU 51 6.527 -19.845 0.472 425 HA LEU 51 HA LEU 51 5.561 -18.424 2.629 426 HB2 LEU 51 HB2 LEU 51 5.188 -18.082 -0.326 427 HB3 LEU 51 HB3 LEU 51 4.465 -16.957 0.823 428 HG LEU 51 HG LEU 51 7.403 -17.501 0.927 429 HD11 LEU 51 HD11 LEU 51 6.428 -16.848 -1.448 430 HD12 LEU 51 HD12 LEU 51 7.930 -16.161 -0.832 431 HD13 LEU 51 HD13 LEU 51 6.431 -15.239 -0.726 432 HD21 LEU 51 HD21 LEU 51 7.136 -16.043 2.591 433 HD22 LEU 51 HD22 LEU 51 5.496 -15.639 2.082 434 HD23 LEU 51 HD23 LEU 51 6.876 -14.825 1.342 435 H HIS 52 H HIS 52 3.806 -20.426 0.338 436 HA HIS 52 HA HIS 52 1.221 -19.661 1.372 437 HB2 HIS 52 HB2 HIS 52 1.900 -21.966 -0.464 438 HB3 HIS 52 HB3 HIS 52 0.314 -21.241 -0.215 439 HD1 HIS 52 HD1 HIS 52 1.634 -21.432 -3.020 440 HD2 HIS 52 HD2 HIS 52 1.804 -18.103 -0.540 441 HE1 HIS 52 HE1 HIS 52 2.068 -19.479 -4.544 442 H ARG 53 H ARG 53 3.485 -22.320 1.748 443 HA ARG 53 HA ARG 53 1.825 -24.140 3.069 444 HB2 ARG 53 HB2 ARG 53 4.289 -24.353 2.199 445 HB3 ARG 53 HB3 ARG 53 4.706 -23.847 3.831 446 HG2 ARG 53 HG2 ARG 53 4.760 -26.156 3.958 447 HG3 ARG 53 HG3 ARG 53 3.161 -25.759 4.590 448 HD2 ARG 53 HD2 ARG 53 2.184 -26.229 2.394 449 HD3 ARG 53 HD3 ARG 53 3.783 -26.632 1.770 450 HE ARG 53 HE ARG 53 2.081 -28.297 3.365 451 HH11 ARG 53 HH11 ARG 53 5.386 -27.603 2.515 452 HH12 ARG 53 HH12 ARG 53 5.954 -29.195 2.896 453 HH21 ARG 53 HH21 ARG 53 2.818 -30.395 3.870 454 HH22 ARG 53 HH22 ARG 53 4.493 -30.782 3.666 455 H LEU 54 H LEU 54 3.888 -21.561 4.375 456 HA LEU 54 HA LEU 54 3.556 -21.998 7.075 457 HB2 LEU 54 HB2 LEU 54 4.284 -19.821 7.423 458 HB3 LEU 54 HB3 LEU 54 4.968 -20.247 5.855 459 HG LEU 54 HG LEU 54 2.739 -19.056 5.007 460 HD11 LEU 54 HD11 LEU 54 2.987 -16.951 6.809 461 HD12 LEU 54 HD12 LEU 54 2.884 -18.398 7.812 462 HD13 LEU 54 HD13 LEU 54 1.617 -18.048 6.636 463 HD21 LEU 54 HD21 LEU 54 5.057 -17.378 5.917 464 HD22 LEU 54 HD22 LEU 54 4.059 -17.193 4.475 465 HD23 LEU 54 HD23 LEU 54 5.202 -18.532 4.591 466 H THR 55 H THR 55 2.147 -21.120 8.655 467 HA THR 55 HA THR 55 -0.276 -19.782 7.866 468 HB THR 55 HB THR 55 -0.721 -22.428 9.203 469 HG1 THR 55 HG1 THR 55 -0.993 -22.166 6.408 470 HG21 THR 55 HG21 THR 55 -2.676 -21.483 7.278 471 HG22 THR 55 HG22 THR 55 -2.350 -20.285 8.530 472 HG23 THR 55 HG23 THR 55 -2.882 -21.905 8.977 473 H LEU 56 H LEU 56 1.187 -18.511 9.443 474 HA LEU 56 HA LEU 56 0.659 -19.259 12.227 475 HB2 LEU 56 HB2 LEU 56 2.892 -18.199 10.950 476 HB3 LEU 56 HB3 LEU 56 2.215 -16.848 11.857 477 HG LEU 56 HG LEU 56 2.370 -18.153 13.921 478 HD11 LEU 56 HD11 LEU 56 3.478 -20.269 12.092 479 HD12 LEU 56 HD12 LEU 56 2.087 -20.382 13.170 480 HD13 LEU 56 HD13 LEU 56 3.715 -20.278 13.840 481 HD21 LEU 56 HD21 LEU 56 4.259 -16.732 13.098 482 HD22 LEU 56 HD22 LEU 56 5.000 -18.196 12.451 483 HD23 LEU 56 HD23 LEU 56 4.737 -18.034 14.188 484 H GLY 57 H GLY 57 0.616 -16.938 13.550 485 HA2 GLY 57 HA2 GLY 57 -0.484 -14.868 13.798 486 HA3 GLY 57 HA3 GLY 57 -1.326 -15.159 12.283 487 H SER 58 H SER 58 -2.238 -17.801 12.940 488 HA SER 58 HA SER 58 -4.710 -17.251 14.049 489 HB2 SER 58 HB2 SER 58 -3.158 -19.823 13.801 490 HB3 SER 58 HB3 SER 58 -4.781 -19.785 14.491 491 HG SER 58 HG SER 58 -4.777 -20.203 12.225 492 H ILE 59 H ILE 59 -1.697 -17.987 15.624 493 HA ILE 59 HA ILE 59 -2.900 -18.493 18.198 494 HB ILE 59 HB ILE 59 -0.600 -18.561 19.047 495 HG12 ILE 59 HG12 ILE 59 0.145 -17.805 16.214 496 HG13 ILE 59 HG13 ILE 59 0.394 -16.825 17.654 497 HG21 ILE 59 HG21 ILE 59 -0.107 -20.190 16.726 498 HG22 ILE 59 HG22 ILE 59 -0.496 -20.676 18.375 499 HG23 ILE 59 HG23 ILE 59 -1.791 -20.317 17.233 500 HD11 ILE 59 HD11 ILE 59 2.472 -17.690 17.450 501 HD12 ILE 59 HD12 ILE 59 1.745 -18.983 18.405 502 HD13 ILE 59 HD13 ILE 59 1.905 -19.160 16.658 503 H ALA 60 H ALA 60 -1.366 -15.808 16.536 504 HA ALA 60 HA ALA 60 -1.173 -14.124 18.836 505 HB1 ALA 60 HB1 ALA 60 -0.950 -13.619 15.884 506 HB2 ALA 60 HB2 ALA 60 -0.847 -12.319 17.071 507 HB3 ALA 60 HB3 ALA 60 0.329 -13.633 17.099 508 H VAL 61 H VAL 61 -3.488 -14.450 16.177 509 HA VAL 61 HA VAL 61 -5.104 -12.248 16.765 510 HB VAL 61 HB VAL 61 -5.233 -13.668 14.694 511 HG11 VAL 61 HG11 VAL 61 -5.654 -15.726 16.477 512 HG12 VAL 61 HG12 VAL 61 -7.257 -15.443 15.796 513 HG13 VAL 61 HG13 VAL 61 -5.896 -15.799 14.732 514 HG21 VAL 61 HG21 VAL 61 -7.593 -13.298 14.357 515 HG22 VAL 61 HG22 VAL 61 -7.866 -13.222 16.098 516 HG23 VAL 61 HG23 VAL 61 -6.926 -11.963 15.297 517 H LYS 62 H LYS 62 -4.717 -15.226 18.417 518 HA LYS 62 HA LYS 62 -7.208 -14.827 19.921 519 HB2 LYS 62 HB2 LYS 62 -6.504 -17.091 18.854 520 HB3 LYS 62 HB3 LYS 62 -5.403 -17.209 20.220 521 HG2 LYS 62 HG2 LYS 62 -7.242 -18.353 20.987 522 HG3 LYS 62 HG3 LYS 62 -7.525 -16.738 21.639 523 HD2 LYS 62 HD2 LYS 62 -8.817 -16.388 19.387 524 HD3 LYS 62 HD3 LYS 62 -8.896 -18.151 19.394 525 HE2 LYS 62 HE2 LYS 62 -9.720 -16.503 21.767 526 HE3 LYS 62 HE3 LYS 62 -10.838 -16.881 20.458 527 HZ1 LYS 62 HZ1 LYS 62 -9.696 -18.635 22.493 528 HZ2 LYS 62 HZ2 LYS 62 -9.943 -19.299 20.957 529 HZ3 LYS 62 HZ3 LYS 62 -11.244 -18.636 21.810 530 H GLU 63 H GLU 63 -3.786 -15.648 20.511 531 HA GLU 63 HA GLU 63 -3.881 -15.164 23.290 532 HB2 GLU 63 HB2 GLU 63 -1.648 -15.364 21.290 533 HB3 GLU 63 HB3 GLU 63 -1.321 -14.926 22.961 534 HG2 GLU 63 HG2 GLU 63 -0.995 -17.307 22.570 535 HG3 GLU 63 HG3 GLU 63 -2.290 -17.008 23.728 536 H PHE 64 H PHE 64 -2.450 -13.192 20.682 537 HA PHE 64 HA PHE 64 -2.414 -10.886 22.469 538 HB2 PHE 64 HB2 PHE 64 -1.244 -11.368 19.728 539 HB3 PHE 64 HB3 PHE 64 -1.197 -9.801 20.528 540 HD1 PHE 64 HD1 PHE 64 0.779 -12.427 19.771 541 HD2 PHE 64 HD2 PHE 64 -0.455 -10.210 23.189 542 HE1 PHE 64 HE1 PHE 64 2.838 -13.094 20.942 543 HE2 PHE 64 HE2 PHE 64 1.602 -10.873 24.365 544 HZ PHE 64 HZ PHE 64 3.252 -12.315 23.242 545 H ASP 65 H ASP 65 -4.953 -11.877 21.578 546 HA ASP 65 HA ASP 65 -5.969 -10.348 19.421 547 HB2 ASP 65 HB2 ASP 65 -6.962 -12.458 20.540 548 HB3 ASP 65 HB3 ASP 65 -7.656 -11.336 21.707 549 H GLU 66 H GLU 66 -6.435 -9.967 22.940 550 HA GLU 66 HA GLU 66 -7.131 -7.151 22.459 551 HB2 GLU 66 HB2 GLU 66 -7.907 -9.137 24.547 552 HB3 GLU 66 HB3 GLU 66 -7.861 -7.436 24.989 553 HG2 GLU 66 HG2 GLU 66 -9.458 -8.597 22.718 554 HG3 GLU 66 HG3 GLU 66 -10.095 -8.177 24.307 555 H THR 67 H THR 67 -5.075 -9.280 24.370 556 HA THR 67 HA THR 67 -3.898 -7.438 26.076 557 HB THR 67 HB THR 67 -1.824 -8.995 25.846 558 HG1 THR 67 HG1 THR 67 -2.594 -11.095 24.980 559 HG21 THR 67 HG21 THR 67 -3.474 -9.048 27.690 560 HG22 THR 67 HG22 THR 67 -2.864 -10.651 27.278 561 HG23 THR 67 HG23 THR 67 -4.466 -10.152 26.738 562 H ASP 68 H ASP 68 -3.212 -8.131 22.700 563 HA ASP 68 HA ASP 68 -1.852 -5.618 22.405 564 HB2 ASP 68 HB2 ASP 68 -0.191 -7.562 23.226 565 HB3 ASP 68 HB3 ASP 68 -0.156 -7.880 21.494 566 HA PRO 69 HA PRO 69 -4.171 -7.059 18.694 567 HB2 PRO 69 HB2 PRO 69 -5.272 -4.632 18.177 568 HB3 PRO 69 HB3 PRO 69 -5.982 -5.787 19.312 569 HG2 PRO 69 HG2 PRO 69 -4.275 -3.391 19.867 570 HG3 PRO 69 HG3 PRO 69 -5.733 -3.946 20.710 571 HD2 PRO 69 HD2 PRO 69 -3.239 -4.394 21.665 572 HD3 PRO 69 HD3 PRO 69 -4.580 -5.527 21.927 573 H GLU 70 H GLU 70 -2.110 -4.266 19.273 574 HA GLU 70 HA GLU 70 -1.682 -3.425 16.655 575 HB2 GLU 70 HB2 GLU 70 0.022 -3.334 19.129 576 HB3 GLU 70 HB3 GLU 70 0.624 -2.719 17.596 577 HG2 GLU 70 HG2 GLU 70 -0.279 -0.916 18.908 578 HG3 GLU 70 HG3 GLU 70 -1.280 -1.178 17.481 579 H LEU 71 H LEU 71 -0.256 -6.082 18.451 580 HA LEU 71 HA LEU 71 1.701 -6.669 16.418 581 HB2 LEU 71 HB2 LEU 71 0.803 -8.210 18.848 582 HB3 LEU 71 HB3 LEU 71 2.125 -8.698 17.790 583 HG LEU 71 HG LEU 71 2.018 -6.277 19.583 584 HD11 LEU 71 HD11 LEU 71 3.854 -7.323 20.729 585 HD12 LEU 71 HD12 LEU 71 3.883 -8.644 19.561 586 HD13 LEU 71 HD13 LEU 71 2.506 -8.458 20.647 587 HD21 LEU 71 HD21 LEU 71 3.933 -7.038 17.402 588 HD22 LEU 71 HD22 LEU 71 4.434 -6.036 18.764 589 HD23 LEU 71 HD23 LEU 71 3.144 -5.488 17.693 590 H SER 72 H SER 72 -1.440 -7.915 17.418 591 HA SER 72 HA SER 72 -1.455 -10.197 15.752 592 HB2 SER 72 HB2 SER 72 -3.603 -8.599 17.122 593 HB3 SER 72 HB3 SER 72 -4.025 -9.914 16.026 594 HG SER 72 HG SER 72 -3.858 -10.661 18.163 595 H ARG 73 H ARG 73 -2.924 -6.979 15.325 596 HA ARG 73 HA ARG 73 -4.010 -7.385 12.798 597 HB2 ARG 73 HB2 ARG 73 -3.102 -4.977 14.315 598 HB3 ARG 73 HB3 ARG 73 -3.513 -4.797 12.614 599 HG2 ARG 73 HG2 ARG 73 -5.743 -5.633 13.027 600 HG3 ARG 73 HG3 ARG 73 -5.340 -5.937 14.718 601 HD2 ARG 73 HD2 ARG 73 -4.994 -3.562 15.087 602 HD3 ARG 73 HD3 ARG 73 -5.307 -3.233 13.383 603 HE ARG 73 HE ARG 73 -7.513 -4.583 14.479 604 HH11 ARG 73 HH11 ARG 73 -5.904 -1.499 14.635 605 HH12 ARG 73 HH12 ARG 73 -7.344 -0.622 15.035 606 HH21 ARG 73 HH21 ARG 73 -9.414 -3.439 15.006 607 HH22 ARG 73 HH22 ARG 73 -9.340 -1.727 15.247 608 H ALA 74 H ALA 74 -0.733 -6.588 13.759 609 HA ALA 74 HA ALA 74 0.152 -6.078 11.063 610 HB1 ALA 74 HB1 ALA 74 1.086 -5.266 13.443 611 HB2 ALA 74 HB2 ALA 74 2.149 -6.646 13.161 612 HB3 ALA 74 HB3 ALA 74 2.076 -5.334 11.984 613 H LEU 75 H LEU 75 0.150 -8.766 13.311 614 HA LEU 75 HA LEU 75 1.968 -10.403 11.861 615 HB2 LEU 75 HB2 LEU 75 0.248 -10.645 14.201 616 HB3 LEU 75 HB3 LEU 75 0.353 -12.135 13.267 617 HG LEU 75 HG LEU 75 2.715 -12.254 13.581 618 HD11 LEU 75 HD11 LEU 75 3.410 -10.217 15.328 619 HD12 LEU 75 HD12 LEU 75 2.445 -9.419 14.086 620 HD13 LEU 75 HD13 LEU 75 3.868 -10.355 13.630 621 HD21 LEU 75 HD21 LEU 75 2.800 -12.026 16.173 622 HD22 LEU 75 HD22 LEU 75 1.736 -13.221 15.432 623 HD23 LEU 75 HD23 LEU 75 1.076 -11.692 16.014 624 H LYS 76 H LYS 76 -1.573 -10.641 12.246 625 HA LYS 76 HA LYS 76 -2.000 -12.622 10.343 626 HB2 LYS 76 HB2 LYS 76 -4.313 -11.972 10.369 627 HB3 LYS 76 HB3 LYS 76 -3.677 -11.802 12.000 628 HG2 LYS 76 HG2 LYS 76 -3.258 -9.317 11.152 629 HG3 LYS 76 HG3 LYS 76 -4.611 -9.737 10.099 630 HD2 LYS 76 HD2 LYS 76 -4.580 -9.946 13.110 631 HD3 LYS 76 HD3 LYS 76 -5.385 -8.688 12.169 632 HE2 LYS 76 HE2 LYS 76 -6.377 -10.982 11.052 633 HE3 LYS 76 HE3 LYS 76 -6.216 -11.433 12.748 634 HZ1 LYS 76 HZ1 LYS 76 -7.919 -9.381 11.526 635 HZ2 LYS 76 HZ2 LYS 76 -7.372 -9.140 13.108 636 HZ3 LYS 76 HZ3 LYS 76 -8.291 -10.510 12.730 637 H ASP 77 H ASP 77 -1.641 -9.153 9.964 638 HA ASP 77 HA ASP 77 -2.399 -9.168 7.186 639 HB2 ASP 77 HB2 ASP 77 -1.200 -7.070 8.992 640 HB3 ASP 77 HB3 ASP 77 -1.483 -6.791 7.276 641 H ALA 78 H ALA 78 0.539 -9.446 9.030 642 HA ALA 78 HA ALA 78 2.412 -8.799 7.044 643 HB1 ALA 78 HB1 ALA 78 3.664 -10.729 8.544 644 HB2 ALA 78 HB2 ALA 78 3.610 -9.006 8.917 645 HB3 ALA 78 HB3 ALA 78 2.440 -10.104 9.649 646 H TYR 79 H TYR 79 1.349 -12.044 8.093 647 HA TYR 79 HA TYR 79 2.602 -13.374 5.924 648 HB2 TYR 79 HB2 TYR 79 1.839 -15.317 6.876 649 HB3 TYR 79 HB3 TYR 79 1.706 -14.247 8.266 650 HD1 TYR 79 HD1 TYR 79 -0.087 -16.307 5.895 651 HD2 TYR 79 HD2 TYR 79 -0.525 -13.322 8.895 652 HE1 TYR 79 HE1 TYR 79 -2.480 -16.845 6.072 653 HE2 TYR 79 HE2 TYR 79 -2.920 -13.853 9.081 654 HH TYR 79 HH TYR 79 -4.673 -14.883 7.910 655 H TYR 80 H TYR 80 -0.563 -11.980 6.405 656 HA TYR 80 HA TYR 80 -2.043 -13.215 4.429 657 HB2 TYR 80 HB2 TYR 80 -3.115 -11.682 5.921 658 HB3 TYR 80 HB3 TYR 80 -2.089 -10.353 5.392 659 HD1 TYR 80 HD1 TYR 80 -4.893 -12.546 4.424 660 HD2 TYR 80 HD2 TYR 80 -2.610 -9.096 3.429 661 HE1 TYR 80 HE1 TYR 80 -6.580 -11.921 2.748 662 HE2 TYR 80 HE2 TYR 80 -4.292 -8.461 1.750 663 HH TYR 80 HH TYR 80 -7.288 -10.295 1.365 664 H VAL 81 H VAL 81 -0.316 -10.113 4.050 665 HA VAL 81 HA VAL 81 -0.617 -9.944 1.272 666 HB VAL 81 HB VAL 81 1.299 -8.351 1.345 667 HG11 VAL 81 HG11 VAL 81 0.169 -6.677 2.685 668 HG12 VAL 81 HG12 VAL 81 -1.016 -7.639 1.798 669 HG13 VAL 81 HG13 VAL 81 -0.751 -7.929 3.518 670 HG21 VAL 81 HG21 VAL 81 2.664 -9.368 3.038 671 HG22 VAL 81 HG22 VAL 81 2.199 -7.758 3.588 672 HG23 VAL 81 HG23 VAL 81 1.389 -9.182 4.242 673 H GLY 82 H GLY 82 1.830 -11.516 3.251 674 HA2 GLY 82 HA2 GLY 82 3.784 -11.986 1.318 675 HA3 GLY 82 HA3 GLY 82 3.484 -13.012 2.713 676 H ILE 83 H ILE 83 1.006 -14.027 2.204 677 HA ILE 83 HA ILE 83 1.492 -16.182 0.552 678 HB ILE 83 HB ILE 83 -1.197 -14.972 1.207 679 HG12 ILE 83 HG12 ILE 83 0.026 -17.355 2.560 680 HG13 ILE 83 HG13 ILE 83 0.468 -15.731 3.073 681 HG21 ILE 83 HG21 ILE 83 -0.472 -17.727 0.219 682 HG22 ILE 83 HG22 ILE 83 -2.071 -17.234 0.771 683 HG23 ILE 83 HG23 ILE 83 -1.369 -16.494 -0.667 684 HD11 ILE 83 HD11 ILE 83 -1.669 -15.260 3.837 685 HD12 ILE 83 HD12 ILE 83 -2.400 -16.553 2.884 686 HD13 ILE 83 HD13 ILE 83 -1.427 -16.944 4.302 687 H ARG 84 H ARG 84 0.078 -13.060 -0.248 688 HA ARG 84 HA ARG 84 -0.769 -13.743 -2.865 689 HB2 ARG 84 HB2 ARG 84 -0.350 -11.210 -1.351 690 HB3 ARG 84 HB3 ARG 84 -0.475 -11.112 -3.102 691 HG2 ARG 84 HG2 ARG 84 -2.632 -10.737 -2.094 692 HG3 ARG 84 HG3 ARG 84 -2.647 -12.254 -2.995 693 HD2 ARG 84 HD2 ARG 84 -2.292 -13.484 -0.897 694 HD3 ARG 84 HD3 ARG 84 -2.320 -11.960 -0.011 695 HE ARG 84 HE ARG 84 -4.681 -11.952 -1.332 696 HH11 ARG 84 HH11 ARG 84 -3.105 -14.260 0.744 697 HH12 ARG 84 HH12 ARG 84 -4.587 -14.914 1.359 698 HH21 ARG 84 HH21 ARG 84 -6.638 -12.805 -0.530 699 HH22 ARG 84 HH22 ARG 84 -6.596 -14.087 0.633 700 H THR 85 H THR 85 2.131 -12.079 -1.651 701 HA THR 85 HA THR 85 3.363 -11.624 -4.114 702 HB THR 85 HB THR 85 5.407 -11.273 -2.923 703 HG1 THR 85 HG1 THR 85 4.230 -12.547 -0.663 704 HG21 THR 85 HG21 THR 85 3.708 -10.449 -0.691 705 HG22 THR 85 HG22 THR 85 3.066 -9.996 -2.271 706 HG23 THR 85 HG23 THR 85 4.681 -9.475 -1.793 707 H GLY 86 H GLY 86 3.595 -14.405 -1.919 708 HA2 GLY 86 HA2 GLY 86 5.573 -15.837 -3.264 709 HA3 GLY 86 HA3 GLY 86 4.311 -16.555 -2.275 710 H ARG 87 H ARG 87 2.131 -15.581 -3.925 711 HA ARG 87 HA ARG 87 2.239 -17.652 -5.952 712 HB2 ARG 87 HB2 ARG 87 0.246 -17.290 -4.463 713 HB3 ARG 87 HB3 ARG 87 -0.039 -15.775 -5.309 714 HG2 ARG 87 HG2 ARG 87 -1.466 -17.211 -6.397 715 HG3 ARG 87 HG3 ARG 87 -0.041 -17.260 -7.437 716 HD2 ARG 87 HD2 ARG 87 -0.302 -19.232 -5.213 717 HD3 ARG 87 HD3 ARG 87 -1.231 -19.472 -6.692 718 HE ARG 87 HE ARG 87 1.441 -18.971 -7.375 719 HH11 ARG 87 HH11 ARG 87 -0.513 -21.415 -5.850 720 HH12 ARG 87 HH12 ARG 87 0.526 -22.721 -6.314 721 HH21 ARG 87 HH21 ARG 87 2.818 -20.682 -7.992 722 HH22 ARG 87 HH22 ARG 87 2.421 -22.303 -7.531 723 H GLY 88 H GLY 88 2.472 -14.205 -5.738 724 HA2 GLY 88 HA2 GLY 88 3.520 -13.003 -7.548 725 HA3 GLY 88 HA3 GLY 88 2.727 -14.096 -8.672 726 H LEU 89 H LEU 89 1.138 -12.589 -5.928 727 HA LEU 89 HA LEU 89 -0.553 -11.106 -7.827 728 HB2 LEU 89 HB2 LEU 89 -1.088 -12.496 -5.261 729 HB3 LEU 89 HB3 LEU 89 -2.020 -11.041 -5.607 730 HG LEU 89 HG LEU 89 -3.228 -13.070 -6.238 731 HD11 LEU 89 HD11 LEU 89 -4.097 -12.188 -8.147 732 HD12 LEU 89 HD12 LEU 89 -2.515 -11.871 -8.857 733 HD13 LEU 89 HD13 LEU 89 -3.149 -10.802 -7.605 734 HD21 LEU 89 HD21 LEU 89 -1.530 -13.660 -8.552 735 HD22 LEU 89 HD22 LEU 89 -2.366 -14.751 -7.447 736 HD23 LEU 89 HD23 LEU 89 -0.808 -14.059 -6.993 737 H LYS 90 H LYS 90 -1.675 -9.175 -6.581 738 HA LYS 90 HA LYS 90 0.472 -7.653 -5.254 739 HB2 LYS 90 HB2 LYS 90 -0.177 -6.899 -7.578 740 HB3 LYS 90 HB3 LYS 90 -1.757 -6.486 -6.924 741 HG2 LYS 90 HG2 LYS 90 -0.292 -5.122 -5.200 742 HG3 LYS 90 HG3 LYS 90 0.869 -5.163 -6.529 743 HD2 LYS 90 HD2 LYS 90 -0.591 -4.028 -7.981 744 HD3 LYS 90 HD3 LYS 90 -1.987 -4.321 -6.940 745 HE2 LYS 90 HE2 LYS 90 0.363 -2.677 -6.041 746 HE3 LYS 90 HE3 LYS 90 -0.983 -1.972 -6.935 747 HZ1 LYS 90 HZ1 LYS 90 -0.833 -2.744 -4.183 748 HZ2 LYS 90 HZ2 LYS 90 -2.187 -3.400 -4.955 749 HZ3 LYS 90 HZ3 LYS 90 -1.941 -1.727 -4.957 750 H VAL 91 H VAL 91 -0.029 -6.441 -3.460 751 HA VAL 91 HA VAL 91 -2.155 -7.301 -1.838 752 HB VAL 91 HB VAL 91 -0.136 -6.378 -0.861 753 HG11 VAL 91 HG11 VAL 91 -0.485 -4.351 -2.782 754 HG12 VAL 91 HG12 VAL 91 -0.599 -3.576 -1.201 755 HG13 VAL 91 HG13 VAL 91 0.827 -4.527 -1.618 756 HG21 VAL 91 HG21 VAL 91 -2.563 -6.066 0.133 757 HG22 VAL 91 HG22 VAL 91 -1.148 -5.383 0.933 758 HG23 VAL 91 HG23 VAL 91 -2.172 -4.359 -0.073 759 H ASP 92 H ASP 92 -4.217 -6.702 -1.706 760 HA ASP 92 HA ASP 92 -5.038 -4.233 -3.091 761 HB2 ASP 92 HB2 ASP 92 -7.271 -5.386 -3.353 762 HB3 ASP 92 HB3 ASP 92 -5.951 -6.085 -4.286 763 H LEU 93 H LEU 93 -4.174 -4.253 -0.402 764 HA LEU 93 HA LEU 93 -6.594 -4.149 1.218 765 HB2 LEU 93 HB2 LEU 93 -3.667 -4.087 1.764 766 HB3 LEU 93 HB3 LEU 93 -4.763 -3.383 2.952 767 HG LEU 93 HG LEU 93 -5.541 -6.069 2.109 768 HD11 LEU 93 HD11 LEU 93 -2.834 -5.580 3.309 769 HD12 LEU 93 HD12 LEU 93 -3.266 -6.598 1.936 770 HD13 LEU 93 HD13 LEU 93 -3.716 -7.085 3.570 771 HD21 LEU 93 HD21 LEU 93 -6.612 -5.048 3.969 772 HD22 LEU 93 HD22 LEU 93 -5.068 -4.663 4.729 773 HD23 LEU 93 HD23 LEU 93 -5.596 -6.342 4.605 774 HA PRO 94 HA PRO 94 -7.166 0.200 1.105 775 HB2 PRO 94 HB2 PRO 94 -7.838 0.765 3.674 776 HB3 PRO 94 HB3 PRO 94 -8.917 -0.089 2.565 777 HG2 PRO 94 HG2 PRO 94 -7.130 -1.196 4.696 778 HG3 PRO 94 HG3 PRO 94 -8.797 -1.644 4.290 779 HD2 PRO 94 HD2 PRO 94 -6.660 -3.099 3.485 780 HD3 PRO 94 HD3 PRO 94 -8.143 -2.966 2.519 Start of MODEL 6 1 H MET 1 H MET 1 3.139 0.254 -1.339 2 HA MET 1 HA MET 1 3.108 -1.408 -3.464 3 HB2 MET 1 HB2 MET 1 5.208 -0.379 -4.220 4 HB3 MET 1 HB3 MET 1 4.106 0.815 -3.548 5 HG2 MET 1 HG2 MET 1 5.547 0.172 -1.355 6 HG3 MET 1 HG3 MET 1 6.750 -0.054 -2.622 7 HE1 MET 1 HE1 MET 1 8.160 1.893 -1.312 8 HE2 MET 1 HE2 MET 1 8.333 1.758 -3.061 9 HE3 MET 1 HE3 MET 1 8.181 3.347 -2.310 10 H THR 2 H THR 2 5.264 -1.658 -0.690 11 HA THR 2 HA THR 2 6.118 -4.297 -1.685 12 HB THR 2 HB THR 2 8.092 -3.064 -1.865 13 HG1 THR 2 HG1 THR 2 9.269 -4.272 -0.571 14 HG21 THR 2 HG21 THR 2 8.882 -1.568 0.031 15 HG22 THR 2 HG22 THR 2 7.251 -1.707 0.689 16 HG23 THR 2 HG23 THR 2 7.503 -0.984 -0.900 17 HA PRO 3 HA PRO 3 4.595 -5.936 2.102 18 HB2 PRO 3 HB2 PRO 3 6.134 -8.165 2.288 19 HB3 PRO 3 HB3 PRO 3 4.810 -8.005 1.127 20 HG2 PRO 3 HG2 PRO 3 7.752 -7.646 0.706 21 HG3 PRO 3 HG3 PRO 3 6.567 -8.471 -0.323 22 HD2 PRO 3 HD2 PRO 3 7.449 -5.964 -0.839 23 HD3 PRO 3 HD3 PRO 3 5.805 -6.500 -1.243 24 H ILE 4 H ILE 4 8.079 -5.550 1.698 25 HA ILE 4 HA ILE 4 8.981 -6.031 4.257 26 HB ILE 4 HB ILE 4 10.421 -5.488 2.293 27 HG12 ILE 4 HG12 ILE 4 11.540 -3.575 4.131 28 HG13 ILE 4 HG13 ILE 4 10.817 -4.907 5.026 29 HG21 ILE 4 HG21 ILE 4 8.922 -3.286 1.991 30 HG22 ILE 4 HG22 ILE 4 10.277 -2.599 2.886 31 HG23 ILE 4 HG23 ILE 4 10.562 -3.433 1.359 32 HD11 ILE 4 HD11 ILE 4 13.333 -4.898 4.048 33 HD12 ILE 4 HD12 ILE 4 12.396 -6.355 4.383 34 HD13 ILE 4 HD13 ILE 4 12.468 -5.710 2.743 35 H GLU 5 H GLU 5 7.255 -3.249 3.022 36 HA GLU 5 HA GLU 5 7.732 -1.584 5.298 37 HB2 GLU 5 HB2 GLU 5 6.269 -1.405 2.777 38 HB3 GLU 5 HB3 GLU 5 5.421 -0.634 4.111 39 HG2 GLU 5 HG2 GLU 5 8.242 -0.054 3.237 40 HG3 GLU 5 HG3 GLU 5 6.827 0.949 2.923 41 H TYR 6 H TYR 6 5.159 -3.775 4.291 42 HA TYR 6 HA TYR 6 3.345 -3.116 6.363 43 HB2 TYR 6 HB2 TYR 6 3.631 -5.522 4.570 44 HB3 TYR 6 HB3 TYR 6 2.367 -5.412 5.791 45 HD1 TYR 6 HD1 TYR 6 3.556 -4.166 2.570 46 HD2 TYR 6 HD2 TYR 6 0.547 -3.798 5.555 47 HE1 TYR 6 HE1 TYR 6 2.150 -2.912 0.989 48 HE2 TYR 6 HE2 TYR 6 -0.868 -2.544 3.983 49 HH TYR 6 HH TYR 6 -0.140 -1.009 1.676 50 H ILE 7 H ILE 7 5.685 -5.770 6.000 51 HA ILE 7 HA ILE 7 5.168 -6.925 8.535 52 HB ILE 7 HB ILE 7 7.269 -8.158 8.207 53 HG12 ILE 7 HG12 ILE 7 8.160 -7.637 5.696 54 HG13 ILE 7 HG13 ILE 7 7.694 -6.020 6.210 55 HG21 ILE 7 HG21 ILE 7 5.808 -8.093 5.586 56 HG22 ILE 7 HG22 ILE 7 6.531 -9.472 6.412 57 HG23 ILE 7 HG23 ILE 7 5.065 -8.730 7.053 58 HD11 ILE 7 HD11 ILE 7 9.099 -6.965 8.367 59 HD12 ILE 7 HD12 ILE 7 9.968 -7.645 6.990 60 HD13 ILE 7 HD13 ILE 7 9.722 -5.902 7.105 61 H ASP 8 H ASP 8 7.404 -4.461 7.408 62 HA ASP 8 HA ASP 8 9.153 -4.313 9.547 63 HB2 ASP 8 HB2 ASP 8 8.238 -2.478 7.435 64 HB3 ASP 8 HB3 ASP 8 8.861 -1.679 8.876 65 H ARG 9 H ARG 9 5.927 -2.917 9.207 66 HA ARG 9 HA ARG 9 5.931 -1.358 11.538 67 HB2 ARG 9 HB2 ARG 9 4.239 -1.150 9.761 68 HB3 ARG 9 HB3 ARG 9 3.595 -2.728 10.194 69 HG2 ARG 9 HG2 ARG 9 2.199 -1.012 11.124 70 HG3 ARG 9 HG3 ARG 9 3.037 -1.850 12.431 71 HD2 ARG 9 HD2 ARG 9 4.682 -0.038 12.531 72 HD3 ARG 9 HD3 ARG 9 3.836 0.798 11.229 73 HE ARG 9 HE ARG 9 1.931 0.427 13.144 74 HH11 ARG 9 HH11 ARG 9 5.088 1.893 13.072 75 HH12 ARG 9 HH12 ARG 9 4.720 3.054 14.305 76 HH21 ARG 9 HH21 ARG 9 1.434 1.950 14.767 77 HH22 ARG 9 HH22 ARG 9 2.642 3.085 15.269 78 H ALA 10 H ALA 10 5.217 -4.758 10.998 79 HA ALA 10 HA ALA 10 4.149 -5.284 13.574 80 HB1 ALA 10 HB1 ALA 10 3.905 -6.698 11.477 81 HB2 ALA 10 HB2 ALA 10 5.519 -7.314 11.834 82 HB3 ALA 10 HB3 ALA 10 4.207 -7.560 12.986 83 H LEU 11 H LEU 11 7.398 -5.515 12.196 84 HA LEU 11 HA LEU 11 8.710 -6.811 14.260 85 HB2 LEU 11 HB2 LEU 11 9.920 -6.455 12.292 86 HB3 LEU 11 HB3 LEU 11 9.588 -4.724 12.296 87 HG LEU 11 HG LEU 11 11.198 -5.762 14.550 88 HD11 LEU 11 HD11 LEU 11 12.272 -7.035 12.888 89 HD12 LEU 11 HD12 LEU 11 13.254 -5.583 13.079 90 HD13 LEU 11 HD13 LEU 11 12.160 -5.732 11.704 91 HD21 LEU 11 HD21 LEU 11 12.441 -3.593 13.406 92 HD22 LEU 11 HD22 LEU 11 11.297 -3.541 14.747 93 HD23 LEU 11 HD23 LEU 11 10.733 -3.282 13.096 94 H ALA 12 H ALA 12 8.050 -3.345 13.884 95 HA ALA 12 HA ALA 12 9.390 -2.505 16.218 96 HB1 ALA 12 HB1 ALA 12 8.879 -0.499 15.419 97 HB2 ALA 12 HB2 ALA 12 7.959 -1.286 14.137 98 HB3 ALA 12 HB3 ALA 12 7.155 -0.806 15.632 99 H LEU 13 H LEU 13 6.128 -3.673 15.638 100 HA LEU 13 HA LEU 13 5.128 -2.980 18.224 101 HB2 LEU 13 HB2 LEU 13 4.120 -4.909 16.140 102 HB3 LEU 13 HB3 LEU 13 3.247 -4.489 17.613 103 HG LEU 13 HG LEU 13 4.025 -2.436 15.555 104 HD11 LEU 13 HD11 LEU 13 2.151 -4.536 15.236 105 HD12 LEU 13 HD12 LEU 13 2.453 -3.160 14.175 106 HD13 LEU 13 HD13 LEU 13 1.251 -3.036 15.460 107 HD21 LEU 13 HD21 LEU 13 1.868 -1.443 16.678 108 HD22 LEU 13 HD22 LEU 13 3.448 -1.270 17.441 109 HD23 LEU 13 HD23 LEU 13 2.329 -2.513 18.002 110 H VAL 14 H VAL 14 6.617 -5.824 16.799 111 HA VAL 14 HA VAL 14 6.101 -7.530 19.045 112 HB VAL 14 HB VAL 14 8.177 -7.915 16.887 113 HG11 VAL 14 HG11 VAL 14 8.690 -9.590 18.317 114 HG12 VAL 14 HG12 VAL 14 7.098 -9.574 19.079 115 HG13 VAL 14 HG13 VAL 14 7.326 -10.379 17.526 116 HG21 VAL 14 HG21 VAL 14 6.526 -8.157 15.423 117 HG22 VAL 14 HG22 VAL 14 5.907 -9.501 16.382 118 HG23 VAL 14 HG23 VAL 14 5.323 -7.864 16.678 119 H VAL 15 H VAL 15 9.052 -5.989 17.766 120 HA VAL 15 HA VAL 15 10.834 -6.761 19.725 121 HB VAL 15 HB VAL 15 11.506 -5.561 17.690 122 HG11 VAL 15 HG11 VAL 15 9.560 -3.877 17.983 123 HG12 VAL 15 HG12 VAL 15 10.711 -2.976 18.972 124 HG13 VAL 15 HG13 VAL 15 11.079 -3.320 17.281 125 HG21 VAL 15 HG21 VAL 15 13.179 -4.044 18.760 126 HG22 VAL 15 HG22 VAL 15 12.356 -4.309 20.297 127 HG23 VAL 15 HG23 VAL 15 13.115 -5.662 19.458 128 H ASP 16 H ASP 16 8.435 -4.202 19.808 129 HA ASP 16 HA ASP 16 9.374 -2.984 22.207 130 HB2 ASP 16 HB2 ASP 16 7.824 -1.986 20.404 131 HB3 ASP 16 HB3 ASP 16 6.531 -2.853 21.227 132 H ARG 17 H ARG 17 7.067 -5.530 21.467 133 HA ARG 17 HA ARG 17 6.066 -5.721 24.149 134 HB2 ARG 17 HB2 ARG 17 5.612 -7.087 21.578 135 HB3 ARG 17 HB3 ARG 17 5.408 -8.103 22.999 136 HG2 ARG 17 HG2 ARG 17 4.007 -5.481 22.515 137 HG3 ARG 17 HG3 ARG 17 3.306 -7.082 22.272 138 HD2 ARG 17 HD2 ARG 17 4.161 -5.791 24.849 139 HD3 ARG 17 HD3 ARG 17 2.553 -6.348 24.389 140 HE ARG 17 HE ARG 17 4.619 -7.901 25.572 141 HH11 ARG 17 HH11 ARG 17 1.976 -8.056 23.312 142 HH12 ARG 17 HH12 ARG 17 1.701 -9.750 23.549 143 HH21 ARG 17 HH21 ARG 17 4.268 -10.131 25.892 144 HH22 ARG 17 HH22 ARG 17 3.006 -10.930 25.018 145 H LEU 18 H LEU 18 8.538 -7.334 22.244 146 HA LEU 18 HA LEU 18 9.067 -9.555 23.790 147 HB2 LEU 18 HB2 LEU 18 10.580 -7.883 21.913 148 HB3 LEU 18 HB3 LEU 18 11.574 -8.787 23.054 149 HG LEU 18 HG LEU 18 11.265 -9.940 20.891 150 HD11 LEU 18 HD11 LEU 18 9.814 -11.751 22.659 151 HD12 LEU 18 HD12 LEU 18 11.214 -10.993 23.416 152 HD13 LEU 18 HD13 LEU 18 11.409 -11.914 21.925 153 HD21 LEU 18 HD21 LEU 18 9.063 -9.231 20.282 154 HD22 LEU 18 HD22 LEU 18 8.371 -9.959 21.732 155 HD23 LEU 18 HD23 LEU 18 9.042 -10.985 20.464 156 H ALA 19 H ALA 19 10.173 -6.230 24.259 157 HA ALA 19 HA ALA 19 12.001 -6.588 26.299 158 HB1 ALA 19 HB1 ALA 19 10.755 -4.422 25.083 159 HB2 ALA 19 HB2 ALA 19 10.359 -4.263 26.795 160 HB3 ALA 19 HB3 ALA 19 12.044 -4.365 26.285 161 H ARG 20 H ARG 20 8.474 -6.333 26.511 162 HA ARG 20 HA ARG 20 8.371 -6.418 29.351 163 HB2 ARG 20 HB2 ARG 20 6.312 -6.911 27.205 164 HB3 ARG 20 HB3 ARG 20 5.935 -7.036 28.918 165 HG2 ARG 20 HG2 ARG 20 6.622 -4.696 29.222 166 HG3 ARG 20 HG3 ARG 20 6.934 -4.582 27.489 167 HD2 ARG 20 HD2 ARG 20 4.810 -3.750 27.551 168 HD3 ARG 20 HD3 ARG 20 4.451 -5.463 27.341 169 HE ARG 20 HE ARG 20 4.485 -5.178 30.025 170 HH11 ARG 20 HH11 ARG 20 2.859 -3.458 27.472 171 HH12 ARG 20 HH12 ARG 20 1.492 -3.037 28.449 172 HH21 ARG 20 HH21 ARG 20 2.690 -4.630 31.321 173 HH22 ARG 20 HH22 ARG 20 1.397 -3.703 30.638 174 H TYR 21 H TYR 21 8.276 -8.853 26.819 175 HA TYR 21 HA TYR 21 8.439 -10.925 28.904 176 HB2 TYR 21 HB2 TYR 21 6.828 -10.997 26.350 177 HB3 TYR 21 HB3 TYR 21 7.180 -12.428 27.313 178 HD1 TYR 21 HD1 TYR 21 5.687 -9.021 27.634 179 HD2 TYR 21 HD2 TYR 21 5.694 -13.058 28.978 180 HE1 TYR 21 HE1 TYR 21 3.720 -8.552 29.034 181 HE2 TYR 21 HE2 TYR 21 3.726 -12.601 30.380 182 HH TYR 21 HH TYR 21 1.712 -10.594 30.127 183 HA PRO 22 HA PRO 22 12.063 -11.161 26.009 184 HB2 PRO 22 HB2 PRO 22 13.911 -11.453 27.977 185 HB3 PRO 22 HB3 PRO 22 13.356 -9.874 27.406 186 HG2 PRO 22 HG2 PRO 22 12.509 -11.418 29.827 187 HG3 PRO 22 HG3 PRO 22 12.855 -9.686 29.669 188 HD2 PRO 22 HD2 PRO 22 10.333 -10.672 29.692 189 HD3 PRO 22 HD3 PRO 22 10.786 -9.227 28.765 190 H GLY 23 H GLY 23 10.896 -13.228 25.547 191 HA2 GLY 23 HA2 GLY 23 12.089 -15.456 25.316 192 HA3 GLY 23 HA3 GLY 23 12.035 -15.485 27.073 193 H TYR 24 H TYR 24 9.598 -14.587 24.640 194 HA TYR 24 HA TYR 24 7.727 -16.413 25.974 195 HB2 TYR 24 HB2 TYR 24 7.381 -13.808 25.312 196 HB3 TYR 24 HB3 TYR 24 6.727 -14.586 23.875 197 HD1 TYR 24 HD1 TYR 24 4.427 -14.649 23.927 198 HD2 TYR 24 HD2 TYR 24 6.568 -15.330 27.540 199 HE1 TYR 24 HE1 TYR 24 2.304 -15.045 25.104 200 HE2 TYR 24 HE2 TYR 24 4.451 -15.730 28.726 201 HH TYR 24 HH TYR 24 2.209 -16.255 28.365 202 H GLU 25 H GLU 25 7.309 -18.303 25.064 203 HA GLU 25 HA GLU 25 8.375 -19.241 22.699 204 HB2 GLU 25 HB2 GLU 25 6.587 -21.007 22.814 205 HB3 GLU 25 HB3 GLU 25 7.524 -20.801 24.287 206 HG2 GLU 25 HG2 GLU 25 5.656 -19.319 25.117 207 HG3 GLU 25 HG3 GLU 25 4.718 -19.890 23.738 208 H VAL 26 H VAL 26 5.363 -17.525 23.236 209 HA VAL 26 HA VAL 26 4.344 -17.950 20.593 210 HB VAL 26 HB VAL 26 3.522 -15.795 22.538 211 HG11 VAL 26 HG11 VAL 26 2.797 -16.082 19.951 212 HG12 VAL 26 HG12 VAL 26 1.568 -17.069 20.745 213 HG13 VAL 26 HG13 VAL 26 1.765 -15.374 21.194 214 HG21 VAL 26 HG21 VAL 26 1.664 -17.537 23.028 215 HG22 VAL 26 HG22 VAL 26 2.836 -18.705 22.419 216 HG23 VAL 26 HG23 VAL 26 3.233 -17.706 23.817 217 H LEU 27 H LEU 27 6.210 -15.443 22.200 218 HA LEU 27 HA LEU 27 6.026 -13.521 20.117 219 HB2 LEU 27 HB2 LEU 27 7.910 -13.900 22.424 220 HB3 LEU 27 HB3 LEU 27 8.117 -12.593 21.260 221 HG LEU 27 HG LEU 27 5.637 -12.985 22.930 222 HD11 LEU 27 HD11 LEU 27 7.157 -10.677 23.642 223 HD12 LEU 27 HD12 LEU 27 8.181 -12.107 23.765 224 HD13 LEU 27 HD13 LEU 27 6.657 -12.035 24.651 225 HD21 LEU 27 HD21 LEU 27 5.144 -11.738 20.970 226 HD22 LEU 27 HD22 LEU 27 6.616 -10.780 21.129 227 HD23 LEU 27 HD23 LEU 27 5.302 -10.578 22.289 228 H LEU 28 H LEU 28 8.623 -15.775 21.054 229 HA LEU 28 HA LEU 28 10.332 -15.164 18.903 230 HB2 LEU 28 HB2 LEU 28 11.395 -17.354 19.431 231 HB3 LEU 28 HB3 LEU 28 11.222 -16.268 20.808 232 HG LEU 28 HG LEU 28 8.982 -17.741 21.087 233 HD11 LEU 28 HD11 LEU 28 9.051 -19.456 19.648 234 HD12 LEU 28 HD12 LEU 28 10.228 -20.138 20.770 235 HD13 LEU 28 HD13 LEU 28 10.777 -19.261 19.341 236 HD21 LEU 28 HD21 LEU 28 11.489 -17.480 22.352 237 HD22 LEU 28 HD22 LEU 28 11.115 -19.202 22.298 238 HD23 LEU 28 HD23 LEU 28 9.978 -18.075 23.039 239 H SER 29 H SER 29 7.671 -17.425 19.239 240 HA SER 29 HA SER 29 8.181 -18.839 16.814 241 HB2 SER 29 HB2 SER 29 5.921 -19.772 17.141 242 HB3 SER 29 HB3 SER 29 6.871 -19.848 18.624 243 HG SER 29 HG SER 29 4.535 -18.581 18.157 244 H ALA 30 H ALA 30 6.022 -16.180 17.720 245 HA ALA 30 HA ALA 30 4.799 -15.943 15.165 246 HB1 ALA 30 HB1 ALA 30 3.970 -15.078 17.443 247 HB2 ALA 30 HB2 ALA 30 5.000 -13.682 17.121 248 HB3 ALA 30 HB3 ALA 30 3.688 -14.083 16.013 249 H GLU 31 H GLU 31 7.255 -13.938 16.806 250 HA GLU 31 HA GLU 31 7.782 -12.157 14.768 251 HB2 GLU 31 HB2 GLU 31 9.903 -11.738 15.822 252 HB3 GLU 31 HB3 GLU 31 8.709 -12.039 17.076 253 HG2 GLU 31 HG2 GLU 31 10.474 -13.273 17.840 254 HG3 GLU 31 HG3 GLU 31 9.584 -14.489 16.926 255 H LYS 32 H LYS 32 8.943 -15.445 15.181 256 HA LYS 32 HA LYS 32 10.998 -15.532 13.337 257 HB2 LYS 32 HB2 LYS 32 9.093 -17.505 14.454 258 HB3 LYS 32 HB3 LYS 32 9.906 -17.973 12.967 259 HG2 LYS 32 HG2 LYS 32 11.374 -16.995 15.400 260 HG3 LYS 32 HG3 LYS 32 11.017 -18.697 15.099 261 HD2 LYS 32 HD2 LYS 32 12.231 -18.544 12.957 262 HD3 LYS 32 HD3 LYS 32 12.633 -16.865 13.325 263 HE2 LYS 32 HE2 LYS 32 14.532 -18.038 13.987 264 HE3 LYS 32 HE3 LYS 32 13.648 -17.804 15.494 265 HZ1 LYS 32 HZ1 LYS 32 13.080 -20.004 15.610 266 HZ2 LYS 32 HZ2 LYS 32 14.600 -20.127 14.879 267 HZ3 LYS 32 HZ3 LYS 32 13.198 -20.256 13.941 268 H GLN 33 H GLN 33 7.544 -15.476 12.801 269 HA GLN 33 HA GLN 33 7.493 -16.315 10.126 270 HB2 GLN 33 HB2 GLN 33 5.540 -15.908 11.765 271 HB3 GLN 33 HB3 GLN 33 5.623 -14.235 11.230 272 HG2 GLN 33 HG2 GLN 33 5.541 -15.431 8.848 273 HG3 GLN 33 HG3 GLN 33 4.689 -16.644 9.801 274 HE21 GLN 33 HE21 GLN 33 2.583 -16.409 9.770 275 HE22 GLN 33 HE22 GLN 33 1.719 -14.917 9.659 276 H LEU 34 H LEU 34 7.367 -12.978 11.388 277 HA LEU 34 HA LEU 34 7.604 -11.664 8.955 278 HB2 LEU 34 HB2 LEU 34 7.900 -9.742 10.159 279 HB3 LEU 34 HB3 LEU 34 7.172 -10.790 11.375 280 HG LEU 34 HG LEU 34 9.740 -11.266 11.917 281 HD11 LEU 34 HD11 LEU 34 9.889 -8.368 11.216 282 HD12 LEU 34 HD12 LEU 34 10.266 -9.588 10.001 283 HD13 LEU 34 HD13 LEU 34 11.189 -9.524 11.502 284 HD21 LEU 34 HD21 LEU 34 8.629 -10.571 13.752 285 HD22 LEU 34 HD22 LEU 34 7.758 -9.308 12.881 286 HD23 LEU 34 HD23 LEU 34 9.424 -9.037 13.396 287 H GLN 35 H GLN 35 10.039 -13.194 10.922 288 HA GLN 35 HA GLN 35 12.316 -11.983 9.774 289 HB2 GLN 35 HB2 GLN 35 12.033 -14.717 11.035 290 HB3 GLN 35 HB3 GLN 35 13.555 -13.899 10.706 291 HG2 GLN 35 HG2 GLN 35 11.511 -12.545 12.396 292 HG3 GLN 35 HG3 GLN 35 12.491 -13.837 13.087 293 HE21 GLN 35 HE21 GLN 35 12.281 -10.613 12.789 294 HE22 GLN 35 HE22 GLN 35 13.949 -10.181 12.921 295 H TYR 36 H TYR 36 10.322 -14.699 8.822 296 HA TYR 36 HA TYR 36 12.128 -15.637 6.799 297 HB2 TYR 36 HB2 TYR 36 10.716 -17.309 7.630 298 HB3 TYR 36 HB3 TYR 36 9.292 -16.277 7.557 299 HD1 TYR 36 HD1 TYR 36 11.843 -17.096 4.958 300 HD2 TYR 36 HD2 TYR 36 7.768 -17.327 6.160 301 HE1 TYR 36 HE1 TYR 36 11.260 -18.064 2.774 302 HE2 TYR 36 HE2 TYR 36 7.174 -18.297 3.980 303 HH TYR 36 HH TYR 36 9.638 -19.150 1.615 304 H ILE 37 H ILE 37 9.066 -13.829 6.782 305 HA ILE 37 HA ILE 37 8.887 -13.496 4.000 306 HB ILE 37 HB ILE 37 7.824 -11.697 6.181 307 HG12 ILE 37 HG12 ILE 37 5.815 -13.253 4.889 308 HG13 ILE 37 HG13 ILE 37 7.112 -14.339 5.373 309 HG21 ILE 37 HG21 ILE 37 6.104 -11.353 4.169 310 HG22 ILE 37 HG22 ILE 37 7.527 -10.338 4.392 311 HG23 ILE 37 HG23 ILE 37 7.566 -11.667 3.234 312 HD11 ILE 37 HD11 ILE 37 6.426 -14.284 7.471 313 HD12 ILE 37 HD12 ILE 37 6.526 -12.523 7.504 314 HD13 ILE 37 HD13 ILE 37 5.048 -13.313 6.955 315 H ARG 38 H ARG 38 10.604 -11.692 6.469 316 HA ARG 38 HA ARG 38 11.297 -9.530 4.692 317 HB2 ARG 38 HB2 ARG 38 12.447 -8.579 6.530 318 HB3 ARG 38 HB3 ARG 38 11.008 -9.329 7.205 319 HG2 ARG 38 HG2 ARG 38 12.330 -11.247 7.922 320 HG3 ARG 38 HG3 ARG 38 13.776 -10.514 7.225 321 HD2 ARG 38 HD2 ARG 38 12.120 -9.128 9.315 322 HD3 ARG 38 HD3 ARG 38 13.422 -10.241 9.734 323 HE ARG 38 HE ARG 38 14.289 -8.235 7.907 324 HH11 ARG 38 HH11 ARG 38 13.583 -8.844 11.261 325 HH12 ARG 38 HH12 ARG 38 14.655 -7.616 11.845 326 HH21 ARG 38 HH21 ARG 38 15.705 -6.615 8.663 327 HH22 ARG 38 HH22 ARG 38 15.862 -6.347 10.366 328 H SER 39 H SER 39 12.771 -12.487 5.859 329 HA SER 39 HA SER 39 15.404 -11.942 4.959 330 HB2 SER 39 HB2 SER 39 15.776 -14.367 5.250 331 HB3 SER 39 HB3 SER 39 14.954 -13.663 6.642 332 HG SER 39 HG SER 39 14.164 -15.707 5.234 333 H VAL 40 H VAL 40 12.736 -13.825 3.550 334 HA VAL 40 HA VAL 40 13.993 -14.697 1.239 335 HB VAL 40 HB VAL 40 11.786 -15.496 1.879 336 HG11 VAL 40 HG11 VAL 40 10.882 -13.395 2.744 337 HG12 VAL 40 HG12 VAL 40 10.794 -12.755 1.101 338 HG13 VAL 40 HG13 VAL 40 9.790 -14.128 1.570 339 HG21 VAL 40 HG21 VAL 40 12.654 -15.205 -0.618 340 HG22 VAL 40 HG22 VAL 40 11.075 -15.897 -0.246 341 HG23 VAL 40 HG23 VAL 40 11.205 -14.205 -0.726 342 H LEU 41 H LEU 41 12.569 -11.574 1.974 343 HA LEU 41 HA LEU 41 12.483 -10.511 -0.616 344 HB2 LEU 41 HB2 LEU 41 11.721 -9.628 1.798 345 HB3 LEU 41 HB3 LEU 41 13.205 -8.697 1.606 346 HG LEU 41 HG LEU 41 11.368 -8.613 -0.693 347 HD11 LEU 41 HD11 LEU 41 10.614 -7.480 1.990 348 HD12 LEU 41 HD12 LEU 41 9.670 -8.555 0.959 349 HD13 LEU 41 HD13 LEU 41 9.955 -6.887 0.465 350 HD21 LEU 41 HD21 LEU 41 13.160 -7.176 -0.892 351 HD22 LEU 41 HD22 LEU 41 13.161 -6.767 0.824 352 HD23 LEU 41 HD23 LEU 41 11.918 -6.107 -0.240 353 H LEU 42 H LEU 42 15.052 -10.419 1.832 354 HA LEU 42 HA LEU 42 16.857 -8.981 0.120 355 HB2 LEU 42 HB2 LEU 42 17.071 -10.279 2.807 356 HB3 LEU 42 HB3 LEU 42 18.519 -9.738 1.961 357 HG LEU 42 HG LEU 42 17.832 -8.074 3.568 358 HD11 LEU 42 HD11 LEU 42 16.976 -6.856 0.991 359 HD12 LEU 42 HD12 LEU 42 18.603 -7.525 1.118 360 HD13 LEU 42 HD13 LEU 42 18.088 -6.245 2.217 361 HD21 LEU 42 HD21 LEU 42 15.209 -7.982 2.080 362 HD22 LEU 42 HD22 LEU 42 15.685 -6.947 3.428 363 HD23 LEU 42 HD23 LEU 42 15.456 -8.678 3.682 364 H ASP 43 H ASP 43 16.281 -12.331 0.973 365 HA ASP 43 HA ASP 43 18.600 -13.548 0.119 366 HB2 ASP 43 HB2 ASP 43 16.168 -14.436 0.975 367 HB3 ASP 43 HB3 ASP 43 16.136 -14.932 -0.715 368 H ARG 44 H ARG 44 18.835 -14.916 -1.905 369 HA ARG 44 HA ARG 44 18.681 -13.169 -4.177 370 HB2 ARG 44 HB2 ARG 44 19.688 -15.996 -3.845 371 HB3 ARG 44 HB3 ARG 44 19.753 -15.118 -5.367 372 HG2 ARG 44 HG2 ARG 44 21.012 -14.077 -2.847 373 HG3 ARG 44 HG3 ARG 44 21.861 -15.136 -3.976 374 HD2 ARG 44 HD2 ARG 44 20.574 -12.533 -4.775 375 HD3 ARG 44 HD3 ARG 44 22.264 -12.676 -4.295 376 HE ARG 44 HE ARG 44 21.577 -14.498 -6.382 377 HH11 ARG 44 HH11 ARG 44 22.429 -11.191 -5.707 378 HH12 ARG 44 HH12 ARG 44 23.082 -10.900 -7.285 379 HH21 ARG 44 HH21 ARG 44 22.434 -14.127 -8.463 380 HH22 ARG 44 HH22 ARG 44 23.083 -12.571 -8.852 381 H SER 45 H SER 45 16.172 -13.299 -3.723 382 HA SER 45 HA SER 45 14.092 -14.001 -4.365 383 HB2 SER 45 HB2 SER 45 14.098 -14.721 -6.880 384 HB3 SER 45 HB3 SER 45 14.537 -13.068 -6.452 385 HG SER 45 HG SER 45 16.266 -13.526 -7.567 386 H LEU 46 H LEU 46 14.166 -15.794 -2.841 387 HA LEU 46 HA LEU 46 14.723 -18.424 -3.963 388 HB2 LEU 46 HB2 LEU 46 14.333 -17.300 -1.258 389 HB3 LEU 46 HB3 LEU 46 13.803 -18.963 -1.500 390 HG LEU 46 HG LEU 46 16.045 -18.906 -0.582 391 HD11 LEU 46 HD11 LEU 46 16.893 -19.746 -3.197 392 HD12 LEU 46 HD12 LEU 46 15.245 -20.285 -2.876 393 HD13 LEU 46 HD13 LEU 46 16.545 -20.714 -1.765 394 HD21 LEU 46 HD21 LEU 46 17.850 -17.791 -1.533 395 HD22 LEU 46 HD22 LEU 46 16.530 -16.632 -1.689 396 HD23 LEU 46 HD23 LEU 46 17.035 -17.587 -3.083 397 H ASP 47 H ASP 47 13.117 -20.185 -3.526 398 HA ASP 47 HA ASP 47 10.743 -19.760 -4.865 399 HB2 ASP 47 HB2 ASP 47 11.451 -21.868 -2.819 400 HB3 ASP 47 HB3 ASP 47 9.979 -21.909 -3.786 401 H ARG 48 H ARG 48 8.872 -18.824 -4.375 402 HA ARG 48 HA ARG 48 8.418 -17.962 -1.621 403 HB2 ARG 48 HB2 ARG 48 6.934 -17.208 -4.145 404 HB3 ARG 48 HB3 ARG 48 6.728 -16.472 -2.562 405 HG2 ARG 48 HG2 ARG 48 8.908 -15.520 -2.633 406 HG3 ARG 48 HG3 ARG 48 9.322 -16.439 -4.082 407 HD2 ARG 48 HD2 ARG 48 7.261 -14.249 -3.854 408 HD3 ARG 48 HD3 ARG 48 8.816 -14.151 -4.678 409 HE ARG 48 HE ARG 48 6.399 -15.254 -5.710 410 HH11 ARG 48 HH11 ARG 48 9.868 -15.541 -5.796 411 HH12 ARG 48 HH12 ARG 48 9.901 -16.239 -7.382 412 HH21 ARG 48 HH21 ARG 48 6.430 -16.172 -7.798 413 HH22 ARG 48 HH22 ARG 48 7.945 -16.596 -8.520 414 H SER 49 H SER 49 8.067 -20.732 -2.264 415 HA SER 49 HA SER 49 5.220 -21.201 -2.469 416 HB2 SER 49 HB2 SER 49 5.816 -23.577 -2.311 417 HB3 SER 49 HB3 SER 49 6.814 -22.762 -3.515 418 HG SER 49 HG SER 49 8.060 -24.104 -2.149 419 H ALA 50 H ALA 50 7.705 -21.228 0.016 420 HA ALA 50 HA ALA 50 6.132 -22.402 2.060 421 HB1 ALA 50 HB1 ALA 50 8.781 -21.450 1.779 422 HB2 ALA 50 HB2 ALA 50 8.075 -20.654 3.186 423 HB3 ALA 50 HB3 ALA 50 8.096 -22.414 3.088 424 H LEU 51 H LEU 51 6.482 -19.142 0.863 425 HA LEU 51 HA LEU 51 5.565 -17.616 2.955 426 HB2 LEU 51 HB2 LEU 51 5.359 -17.401 -0.002 427 HB3 LEU 51 HB3 LEU 51 4.389 -16.303 0.978 428 HG LEU 51 HG LEU 51 7.376 -16.561 1.267 429 HD11 LEU 51 HD11 LEU 51 6.999 -14.172 0.057 430 HD12 LEU 51 HD12 LEU 51 5.771 -15.149 -0.748 431 HD13 LEU 51 HD13 LEU 51 7.461 -15.652 -0.785 432 HD21 LEU 51 HD21 LEU 51 5.246 -14.881 2.452 433 HD22 LEU 51 HD22 LEU 51 6.772 -14.086 2.064 434 HD23 LEU 51 HD23 LEU 51 6.751 -15.472 3.156 435 H HIS 52 H HIS 52 3.729 -19.673 0.784 436 HA HIS 52 HA HIS 52 1.186 -18.795 1.861 437 HB2 HIS 52 HB2 HIS 52 1.219 -19.347 -0.478 438 HB3 HIS 52 HB3 HIS 52 1.925 -20.927 -0.149 439 HD1 HIS 52 HD1 HIS 52 0.078 -22.377 -1.053 440 HD2 HIS 52 HD2 HIS 52 -1.281 -19.567 1.689 441 HE1 HIS 52 HE1 HIS 52 -2.318 -22.989 -0.594 442 H ARG 53 H ARG 53 3.381 -21.515 2.167 443 HA ARG 53 HA ARG 53 1.655 -23.250 3.567 444 HB2 ARG 53 HB2 ARG 53 4.028 -23.632 2.488 445 HB3 ARG 53 HB3 ARG 53 4.596 -23.232 4.104 446 HG2 ARG 53 HG2 ARG 53 4.449 -25.536 4.160 447 HG3 ARG 53 HG3 ARG 53 2.924 -25.032 4.891 448 HD2 ARG 53 HD2 ARG 53 1.707 -25.516 2.938 449 HD3 ARG 53 HD3 ARG 53 3.167 -25.612 1.955 450 HE ARG 53 HE ARG 53 3.273 -27.580 3.956 451 HH11 ARG 53 HH11 ARG 53 1.539 -26.806 1.039 452 HH12 ARG 53 HH12 ARG 53 1.206 -28.460 0.643 453 HH21 ARG 53 HH21 ARG 53 2.841 -29.761 3.446 454 HH22 ARG 53 HH22 ARG 53 1.946 -30.139 2.013 455 H LEU 54 H LEU 54 3.951 -20.789 4.667 456 HA LEU 54 HA LEU 54 3.902 -21.236 7.387 457 HB2 LEU 54 HB2 LEU 54 4.745 -19.095 7.659 458 HB3 LEU 54 HB3 LEU 54 5.221 -19.516 6.015 459 HG LEU 54 HG LEU 54 2.952 -18.243 5.451 460 HD11 LEU 54 HD11 LEU 54 3.089 -17.829 8.174 461 HD12 LEU 54 HD12 LEU 54 2.127 -16.902 7.024 462 HD13 LEU 54 HD13 LEU 54 3.729 -16.333 7.494 463 HD21 LEU 54 HD21 LEU 54 5.501 -17.789 4.943 464 HD22 LEU 54 HD22 LEU 54 5.260 -16.484 6.104 465 HD23 LEU 54 HD23 LEU 54 4.271 -16.560 4.645 466 H THR 55 H THR 55 2.565 -20.735 9.063 467 HA THR 55 HA THR 55 0.131 -19.206 8.547 468 HB THR 55 HB THR 55 -0.102 -21.872 9.922 469 HG1 THR 55 HG1 THR 55 -0.532 -22.824 8.000 470 HG21 THR 55 HG21 THR 55 -2.103 -20.945 10.355 471 HG22 THR 55 HG22 THR 55 -2.467 -21.303 8.667 472 HG23 THR 55 HG23 THR 55 -1.896 -19.699 9.126 473 H LEU 56 H LEU 56 0.968 -17.634 9.939 474 HA LEU 56 HA LEU 56 0.944 -18.401 12.781 475 HB2 LEU 56 HB2 LEU 56 3.169 -17.565 11.399 476 HB3 LEU 56 HB3 LEU 56 2.590 -16.077 12.145 477 HG LEU 56 HG LEU 56 4.257 -17.083 13.556 478 HD11 LEU 56 HD11 LEU 56 3.116 -17.027 15.589 479 HD12 LEU 56 HD12 LEU 56 1.645 -17.704 14.890 480 HD13 LEU 56 HD13 LEU 56 2.119 -16.048 14.512 481 HD21 LEU 56 HD21 LEU 56 2.799 -19.462 14.338 482 HD22 LEU 56 HD22 LEU 56 4.490 -19.274 13.873 483 HD23 LEU 56 HD23 LEU 56 3.252 -19.492 12.634 484 H GLY 57 H GLY 57 -0.117 -17.046 14.168 485 HA2 GLY 57 HA2 GLY 57 -0.770 -14.582 14.421 486 HA3 GLY 57 HA3 GLY 57 -1.598 -14.839 12.893 487 H SER 58 H SER 58 -2.432 -17.553 13.577 488 HA SER 58 HA SER 58 -4.957 -17.068 14.579 489 HB2 SER 58 HB2 SER 58 -3.572 -19.702 15.036 490 HB3 SER 58 HB3 SER 58 -5.266 -19.401 14.650 491 HG SER 58 HG SER 58 -3.540 -20.095 12.945 492 H ILE 59 H ILE 59 -1.984 -17.698 16.300 493 HA ILE 59 HA ILE 59 -3.280 -18.080 18.847 494 HB ILE 59 HB ILE 59 -1.006 -18.069 19.784 495 HG12 ILE 59 HG12 ILE 59 -0.148 -17.530 16.932 496 HG13 ILE 59 HG13 ILE 59 -0.010 -16.404 18.278 497 HG21 ILE 59 HG21 ILE 59 -1.971 -20.134 18.872 498 HG22 ILE 59 HG22 ILE 59 -1.248 -19.770 17.306 499 HG23 ILE 59 HG23 ILE 59 -0.217 -20.095 18.700 500 HD11 ILE 59 HD11 ILE 59 1.654 -18.718 17.562 501 HD12 ILE 59 HD12 ILE 59 2.085 -17.204 18.358 502 HD13 ILE 59 HD13 ILE 59 1.332 -18.503 19.282 503 H ALA 60 H ALA 60 -1.818 -15.448 17.076 504 HA ALA 60 HA ALA 60 -1.684 -13.655 19.310 505 HB1 ALA 60 HB1 ALA 60 -1.546 -13.075 16.354 506 HB2 ALA 60 HB2 ALA 60 -1.129 -11.954 17.650 507 HB3 ALA 60 HB3 ALA 60 -0.174 -13.416 17.407 508 H VAL 61 H VAL 61 -3.969 -14.288 16.708 509 HA VAL 61 HA VAL 61 -5.630 -12.041 17.137 510 HB VAL 61 HB VAL 61 -5.741 -13.321 15.065 511 HG11 VAL 61 HG11 VAL 61 -6.771 -15.527 16.837 512 HG12 VAL 61 HG12 VAL 61 -6.940 -15.525 15.080 513 HG13 VAL 61 HG13 VAL 61 -5.335 -15.545 15.814 514 HG21 VAL 61 HG21 VAL 61 -8.135 -13.375 14.803 515 HG22 VAL 61 HG22 VAL 61 -8.362 -13.491 16.549 516 HG23 VAL 61 HG23 VAL 61 -7.703 -12.016 15.841 517 H LYS 62 H LYS 62 -5.313 -15.078 18.760 518 HA LYS 62 HA LYS 62 -7.836 -14.684 20.196 519 HB2 LYS 62 HB2 LYS 62 -7.002 -16.942 19.170 520 HB3 LYS 62 HB3 LYS 62 -6.014 -17.025 20.623 521 HG2 LYS 62 HG2 LYS 62 -7.844 -17.235 22.016 522 HG3 LYS 62 HG3 LYS 62 -8.950 -16.521 20.840 523 HD2 LYS 62 HD2 LYS 62 -9.120 -18.477 19.618 524 HD3 LYS 62 HD3 LYS 62 -7.578 -19.100 20.208 525 HE2 LYS 62 HE2 LYS 62 -8.854 -19.040 22.524 526 HE3 LYS 62 HE3 LYS 62 -10.268 -19.150 21.478 527 HZ1 LYS 62 HZ1 LYS 62 -8.034 -21.008 21.053 528 HZ2 LYS 62 HZ2 LYS 62 -9.684 -21.226 20.752 529 HZ3 LYS 62 HZ3 LYS 62 -9.098 -21.291 22.338 530 H GLU 63 H GLU 63 -4.422 -15.422 20.923 531 HA GLU 63 HA GLU 63 -4.682 -14.847 23.697 532 HB2 GLU 63 HB2 GLU 63 -2.156 -14.901 22.039 533 HB3 GLU 63 HB3 GLU 63 -2.269 -15.059 23.786 534 HG2 GLU 63 HG2 GLU 63 -3.498 -17.005 21.852 535 HG3 GLU 63 HG3 GLU 63 -1.891 -17.192 22.551 536 H PHE 64 H PHE 64 -3.129 -13.071 21.026 537 HA PHE 64 HA PHE 64 -2.984 -10.688 22.707 538 HB2 PHE 64 HB2 PHE 64 -1.920 -11.155 19.913 539 HB3 PHE 64 HB3 PHE 64 -1.601 -9.745 20.918 540 HD1 PHE 64 HD1 PHE 64 0.125 -12.193 19.631 541 HD2 PHE 64 HD2 PHE 64 -1.067 -10.957 23.526 542 HE1 PHE 64 HE1 PHE 64 2.088 -13.327 20.588 543 HE2 PHE 64 HE2 PHE 64 0.894 -12.089 24.489 544 HZ PHE 64 HZ PHE 64 2.475 -13.275 23.019 545 H ASP 65 H ASP 65 -5.563 -11.606 21.855 546 HA ASP 65 HA ASP 65 -6.513 -10.151 19.624 547 HB2 ASP 65 HB2 ASP 65 -7.601 -12.139 20.879 548 HB3 ASP 65 HB3 ASP 65 -8.244 -10.908 21.963 549 H GLU 66 H GLU 66 -6.930 -9.539 23.115 550 HA GLU 66 HA GLU 66 -7.499 -6.727 22.471 551 HB2 GLU 66 HB2 GLU 66 -8.187 -8.422 24.868 552 HB3 GLU 66 HB3 GLU 66 -8.367 -6.673 24.862 553 HG2 GLU 66 HG2 GLU 66 -10.116 -6.717 23.379 554 HG3 GLU 66 HG3 GLU 66 -9.635 -8.267 22.691 555 H THR 67 H THR 67 -5.480 -8.841 24.422 556 HA THR 67 HA THR 67 -4.204 -6.919 26.000 557 HB THR 67 HB THR 67 -2.240 -8.628 25.914 558 HG1 THR 67 HG1 THR 67 -2.973 -10.701 25.181 559 HG21 THR 67 HG21 THR 67 -3.885 -8.389 27.755 560 HG22 THR 67 HG22 THR 67 -3.368 -10.057 27.507 561 HG23 THR 67 HG23 THR 67 -4.943 -9.525 26.918 562 H ASP 68 H ASP 68 -3.589 -7.978 22.705 563 HA ASP 68 HA ASP 68 -2.059 -5.602 22.177 564 HB2 ASP 68 HB2 ASP 68 -0.732 -8.232 22.548 565 HB3 ASP 68 HB3 ASP 68 -0.203 -7.268 21.171 566 HA PRO 69 HA PRO 69 -4.530 -7.301 18.645 567 HB2 PRO 69 HB2 PRO 69 -5.696 -4.929 18.025 568 HB3 PRO 69 HB3 PRO 69 -6.354 -6.034 19.237 569 HG2 PRO 69 HG2 PRO 69 -4.687 -3.577 19.620 570 HG3 PRO 69 HG3 PRO 69 -6.113 -4.115 20.527 571 HD2 PRO 69 HD2 PRO 69 -3.588 -4.458 21.443 572 HD3 PRO 69 HD3 PRO 69 -4.897 -5.603 21.800 573 H GLU 70 H GLU 70 -2.588 -4.372 18.993 574 HA GLU 70 HA GLU 70 -2.213 -3.797 16.278 575 HB2 GLU 70 HB2 GLU 70 -0.912 -3.062 18.817 576 HB3 GLU 70 HB3 GLU 70 0.128 -2.964 17.403 577 HG2 GLU 70 HG2 GLU 70 -1.311 -1.404 16.345 578 HG3 GLU 70 HG3 GLU 70 -2.574 -1.658 17.548 579 H LEU 71 H LEU 71 -0.561 -6.026 18.434 580 HA LEU 71 HA LEU 71 1.543 -6.650 16.597 581 HB2 LEU 71 HB2 LEU 71 0.612 -7.651 19.226 582 HB3 LEU 71 HB3 LEU 71 1.578 -8.751 18.244 583 HG LEU 71 HG LEU 71 3.242 -6.750 18.124 584 HD11 LEU 71 HD11 LEU 71 3.169 -5.498 20.333 585 HD12 LEU 71 HD12 LEU 71 1.491 -6.025 20.454 586 HD13 LEU 71 HD13 LEU 71 2.002 -5.013 19.103 587 HD21 LEU 71 HD21 LEU 71 3.620 -8.931 19.231 588 HD22 LEU 71 HD22 LEU 71 2.886 -8.282 20.697 589 HD23 LEU 71 HD23 LEU 71 4.382 -7.584 20.076 590 H SER 72 H SER 72 -1.324 -8.449 17.721 591 HA SER 72 HA SER 72 -1.070 -10.681 16.109 592 HB2 SER 72 HB2 SER 72 -2.732 -10.659 17.838 593 HB3 SER 72 HB3 SER 72 -3.554 -9.278 17.112 594 HG SER 72 HG SER 72 -4.647 -10.642 15.968 595 H ARG 73 H ARG 73 -2.875 -7.693 15.401 596 HA ARG 73 HA ARG 73 -3.762 -8.384 12.853 597 HB2 ARG 73 HB2 ARG 73 -4.369 -6.347 14.309 598 HB3 ARG 73 HB3 ARG 73 -2.959 -5.581 13.591 599 HG2 ARG 73 HG2 ARG 73 -3.897 -5.650 11.429 600 HG3 ARG 73 HG3 ARG 73 -5.173 -6.757 11.940 601 HD2 ARG 73 HD2 ARG 73 -6.131 -4.579 11.729 602 HD3 ARG 73 HD3 ARG 73 -6.023 -4.960 13.447 603 HE ARG 73 HE ARG 73 -3.716 -3.560 12.668 604 HH11 ARG 73 HH11 ARG 73 -7.129 -3.061 13.140 605 HH12 ARG 73 HH12 ARG 73 -6.961 -1.382 13.535 606 HH21 ARG 73 HH21 ARG 73 -3.482 -1.351 13.187 607 HH22 ARG 73 HH22 ARG 73 -4.887 -0.411 13.561 608 H ALA 74 H ALA 74 -0.684 -7.064 13.919 609 HA ALA 74 HA ALA 74 0.306 -6.534 11.289 610 HB1 ALA 74 HB1 ALA 74 1.056 -5.562 13.591 611 HB2 ALA 74 HB2 ALA 74 2.117 -6.972 13.621 612 HB3 ALA 74 HB3 ALA 74 2.239 -5.805 12.305 613 H LEU 75 H LEU 75 0.463 -9.243 13.521 614 HA LEU 75 HA LEU 75 2.449 -10.704 12.107 615 HB2 LEU 75 HB2 LEU 75 0.587 -11.198 14.336 616 HB3 LEU 75 HB3 LEU 75 1.088 -12.625 13.430 617 HG LEU 75 HG LEU 75 2.485 -12.317 15.389 618 HD11 LEU 75 HD11 LEU 75 3.378 -13.066 13.072 619 HD12 LEU 75 HD12 LEU 75 4.518 -12.704 14.367 620 HD13 LEU 75 HD13 LEU 75 4.224 -11.519 13.095 621 HD21 LEU 75 HD21 LEU 75 2.895 -9.578 14.237 622 HD22 LEU 75 HD22 LEU 75 4.068 -10.303 15.337 623 HD23 LEU 75 HD23 LEU 75 2.408 -10.033 15.870 624 H LYS 76 H LYS 76 -1.068 -10.609 11.996 625 HA LYS 76 HA LYS 76 -1.289 -12.817 10.174 626 HB2 LYS 76 HB2 LYS 76 -3.659 -12.189 10.041 627 HB3 LYS 76 HB3 LYS 76 -3.113 -12.289 11.710 628 HG2 LYS 76 HG2 LYS 76 -2.914 -9.854 11.791 629 HG3 LYS 76 HG3 LYS 76 -3.472 -9.757 10.119 630 HD2 LYS 76 HD2 LYS 76 -5.295 -9.302 11.676 631 HD3 LYS 76 HD3 LYS 76 -5.596 -10.786 10.770 632 HE2 LYS 76 HE2 LYS 76 -4.185 -11.052 13.359 633 HE3 LYS 76 HE3 LYS 76 -5.890 -10.609 13.423 634 HZ1 LYS 76 HZ1 LYS 76 -4.787 -13.138 13.015 635 HZ2 LYS 76 HZ2 LYS 76 -5.567 -12.700 11.580 636 HZ3 LYS 76 HZ3 LYS 76 -6.423 -12.708 13.040 637 H ASP 77 H ASP 77 -1.122 -9.323 9.923 638 HA ASP 77 HA ASP 77 -1.763 -9.288 7.113 639 HB2 ASP 77 HB2 ASP 77 -0.798 -7.189 9.051 640 HB3 ASP 77 HB3 ASP 77 -0.986 -6.861 7.331 641 H ALA 78 H ALA 78 1.085 -9.558 9.062 642 HA ALA 78 HA ALA 78 3.040 -8.658 7.281 643 HB1 ALA 78 HB1 ALA 78 4.152 -9.076 9.168 644 HB2 ALA 78 HB2 ALA 78 2.958 -10.257 9.709 645 HB3 ALA 78 HB3 ALA 78 4.248 -10.746 8.610 646 H TYR 79 H TYR 79 1.619 -11.890 7.669 647 HA TYR 79 HA TYR 79 3.135 -12.914 5.418 648 HB2 TYR 79 HB2 TYR 79 2.443 -15.025 6.065 649 HB3 TYR 79 HB3 TYR 79 2.423 -14.174 7.605 650 HD1 TYR 79 HD1 TYR 79 0.377 -15.694 4.980 651 HD2 TYR 79 HD2 TYR 79 0.319 -13.618 8.693 652 HE1 TYR 79 HE1 TYR 79 -1.986 -16.309 5.280 653 HE2 TYR 79 HE2 TYR 79 -2.043 -14.228 9.004 654 HH TYR 79 HH TYR 79 -3.550 -16.597 7.457 655 H TYR 80 H TYR 80 -0.086 -11.776 6.127 656 HA TYR 80 HA TYR 80 -1.566 -12.828 4.058 657 HB2 TYR 80 HB2 TYR 80 -2.536 -11.438 5.825 658 HB3 TYR 80 HB3 TYR 80 -1.715 -10.021 5.179 659 HD1 TYR 80 HD1 TYR 80 -4.200 -12.637 4.249 660 HD2 TYR 80 HD2 TYR 80 -2.785 -8.676 3.607 661 HE1 TYR 80 HE1 TYR 80 -6.133 -12.188 2.796 662 HE2 TYR 80 HE2 TYR 80 -4.714 -8.216 2.153 663 HH TYR 80 HH TYR 80 -6.590 -9.008 1.277 664 H VAL 81 H VAL 81 0.606 -10.037 4.000 665 HA VAL 81 HA VAL 81 0.050 -9.415 1.251 666 HB VAL 81 HB VAL 81 0.750 -7.655 2.801 667 HG11 VAL 81 HG11 VAL 81 3.578 -8.464 2.811 668 HG12 VAL 81 HG12 VAL 81 2.605 -7.711 4.076 669 HG13 VAL 81 HG13 VAL 81 2.507 -9.451 3.805 670 HG21 VAL 81 HG21 VAL 81 2.508 -6.635 1.390 671 HG22 VAL 81 HG22 VAL 81 2.703 -8.180 0.561 672 HG23 VAL 81 HG23 VAL 81 1.175 -7.306 0.450 673 H GLY 82 H GLY 82 2.496 -11.229 3.006 674 HA2 GLY 82 HA2 GLY 82 4.393 -11.514 0.965 675 HA3 GLY 82 HA3 GLY 82 4.152 -12.646 2.287 676 H ILE 83 H ILE 83 1.449 -13.337 1.627 677 HA ILE 83 HA ILE 83 1.963 -15.405 -0.254 678 HB ILE 83 HB ILE 83 -0.676 -14.467 0.878 679 HG12 ILE 83 HG12 ILE 83 1.129 -16.738 1.737 680 HG13 ILE 83 HG13 ILE 83 0.962 -15.203 2.583 681 HG21 ILE 83 HG21 ILE 83 -0.707 -17.214 0.223 682 HG22 ILE 83 HG22 ILE 83 -1.647 -15.909 -0.499 683 HG23 ILE 83 HG23 ILE 83 -0.081 -16.347 -1.179 684 HD11 ILE 83 HD11 ILE 83 -1.362 -15.689 3.052 685 HD12 ILE 83 HD12 ILE 83 -1.247 -17.198 2.146 686 HD13 ILE 83 HD13 ILE 83 -0.326 -16.991 3.635 687 H ARG 84 H ARG 84 0.362 -12.281 -0.429 688 HA ARG 84 HA ARG 84 -0.924 -12.568 -2.893 689 HB2 ARG 84 HB2 ARG 84 -1.444 -10.680 -1.527 690 HB3 ARG 84 HB3 ARG 84 0.232 -10.146 -1.516 691 HG2 ARG 84 HG2 ARG 84 -0.836 -10.339 -4.204 692 HG3 ARG 84 HG3 ARG 84 -1.770 -9.244 -3.183 693 HD2 ARG 84 HD2 ARG 84 -0.002 -7.809 -2.871 694 HD3 ARG 84 HD3 ARG 84 1.203 -9.067 -3.145 695 HE ARG 84 HE ARG 84 -0.266 -8.560 -5.512 696 HH11 ARG 84 HH11 ARG 84 2.227 -7.221 -3.484 697 HH12 ARG 84 HH12 ARG 84 2.991 -6.352 -4.774 698 HH21 ARG 84 HH21 ARG 84 0.730 -7.421 -7.218 699 HH22 ARG 84 HH22 ARG 84 2.138 -6.466 -6.897 700 H THR 85 H THR 85 2.407 -11.781 -2.107 701 HA THR 85 HA THR 85 3.061 -11.343 -4.915 702 HB THR 85 HB THR 85 4.073 -9.833 -3.278 703 HG1 THR 85 HG1 THR 85 6.396 -10.535 -3.859 704 HG21 THR 85 HG21 THR 85 5.445 -12.297 -2.194 705 HG22 THR 85 HG22 THR 85 4.172 -11.389 -1.379 706 HG23 THR 85 HG23 THR 85 5.737 -10.636 -1.683 707 H GLY 86 H GLY 86 3.572 -13.689 -2.348 708 HA2 GLY 86 HA2 GLY 86 5.522 -15.248 -3.705 709 HA3 GLY 86 HA3 GLY 86 4.540 -15.775 -2.346 710 H ARG 87 H ARG 87 2.003 -15.318 -3.638 711 HA ARG 87 HA ARG 87 2.045 -17.604 -5.487 712 HB2 ARG 87 HB2 ARG 87 0.709 -17.765 -3.348 713 HB3 ARG 87 HB3 ARG 87 -0.340 -16.511 -3.995 714 HG2 ARG 87 HG2 ARG 87 -1.537 -18.275 -4.706 715 HG3 ARG 87 HG3 ARG 87 -0.388 -18.241 -6.045 716 HD2 ARG 87 HD2 ARG 87 0.193 -19.816 -3.564 717 HD3 ARG 87 HD3 ARG 87 -0.839 -20.480 -4.829 718 HE ARG 87 HE ARG 87 1.992 -20.264 -4.886 719 HH11 ARG 87 HH11 ARG 87 -0.841 -20.084 -6.901 720 HH12 ARG 87 HH12 ARG 87 -0.004 -20.552 -8.344 721 HH21 ARG 87 HH21 ARG 87 3.105 -20.881 -6.778 722 HH22 ARG 87 HH22 ARG 87 2.240 -21.006 -8.273 723 H GLY 88 H GLY 88 1.233 -14.254 -5.175 724 HA2 GLY 88 HA2 GLY 88 0.999 -12.801 -7.022 725 HA3 GLY 88 HA3 GLY 88 0.576 -14.182 -8.024 726 H LEU 89 H LEU 89 -0.871 -13.477 -4.902 727 HA LEU 89 HA LEU 89 -3.502 -13.628 -5.993 728 HB2 LEU 89 HB2 LEU 89 -2.352 -13.856 -3.474 729 HB3 LEU 89 HB3 LEU 89 -3.358 -12.413 -3.368 730 HG LEU 89 HG LEU 89 -5.300 -13.749 -4.102 731 HD11 LEU 89 HD11 LEU 89 -4.744 -15.586 -5.274 732 HD12 LEU 89 HD12 LEU 89 -4.693 -16.346 -3.684 733 HD13 LEU 89 HD13 LEU 89 -3.203 -15.783 -4.441 734 HD21 LEU 89 HD21 LEU 89 -4.252 -13.554 -1.632 735 HD22 LEU 89 HD22 LEU 89 -4.274 -15.308 -1.819 736 HD23 LEU 89 HD23 LEU 89 -5.767 -14.384 -1.988 737 H LYS 90 H LYS 90 -5.139 -11.859 -5.287 738 HA LYS 90 HA LYS 90 -4.024 -9.237 -6.044 739 HB2 LYS 90 HB2 LYS 90 -5.492 -10.274 -7.769 740 HB3 LYS 90 HB3 LYS 90 -6.809 -10.272 -6.603 741 HG2 LYS 90 HG2 LYS 90 -6.216 -7.700 -6.478 742 HG3 LYS 90 HG3 LYS 90 -5.588 -8.019 -8.096 743 HD2 LYS 90 HD2 LYS 90 -8.340 -8.900 -7.280 744 HD3 LYS 90 HD3 LYS 90 -8.034 -7.266 -7.874 745 HE2 LYS 90 HE2 LYS 90 -8.654 -8.441 -9.788 746 HE3 LYS 90 HE3 LYS 90 -6.893 -8.422 -9.863 747 HZ1 LYS 90 HZ1 LYS 90 -8.454 -10.628 -10.054 748 HZ2 LYS 90 HZ2 LYS 90 -7.940 -10.687 -8.444 749 HZ3 LYS 90 HZ3 LYS 90 -6.801 -10.628 -9.693 750 H VAL 91 H VAL 91 -3.793 -8.260 -4.095 751 HA VAL 91 HA VAL 91 -5.787 -8.481 -2.030 752 HB VAL 91 HB VAL 91 -4.383 -6.793 -0.837 753 HG11 VAL 91 HG11 VAL 91 -2.289 -8.349 -0.830 754 HG12 VAL 91 HG12 VAL 91 -3.838 -8.953 -0.238 755 HG13 VAL 91 HG13 VAL 91 -3.286 -9.375 -1.860 756 HG21 VAL 91 HG21 VAL 91 -2.033 -6.947 -2.405 757 HG22 VAL 91 HG22 VAL 91 -3.338 -6.403 -3.460 758 HG23 VAL 91 HG23 VAL 91 -2.972 -5.515 -1.981 759 H ASP 92 H ASP 92 -6.903 -6.653 -1.096 760 HA ASP 92 HA ASP 92 -7.350 -4.425 -2.961 761 HB2 ASP 92 HB2 ASP 92 -9.426 -6.173 -1.649 762 HB3 ASP 92 HB3 ASP 92 -9.805 -4.554 -2.231 763 H LEU 93 H LEU 93 -5.698 -4.460 -0.653 764 HA LEU 93 HA LEU 93 -7.147 -3.221 1.512 765 HB2 LEU 93 HB2 LEU 93 -4.180 -3.106 1.308 766 HB3 LEU 93 HB3 LEU 93 -5.202 -3.343 2.724 767 HG LEU 93 HG LEU 93 -4.550 -5.404 0.618 768 HD11 LEU 93 HD11 LEU 93 -2.658 -5.237 1.949 769 HD12 LEU 93 HD12 LEU 93 -3.581 -6.521 2.731 770 HD13 LEU 93 HD13 LEU 93 -3.590 -4.892 3.407 771 HD21 LEU 93 HD21 LEU 93 -5.704 -6.601 2.868 772 HD22 LEU 93 HD22 LEU 93 -6.402 -6.451 1.255 773 HD23 LEU 93 HD23 LEU 93 -6.735 -5.224 2.479 774 HA PRO 94 HA PRO 94 -6.801 0.990 0.322 775 HB2 PRO 94 HB2 PRO 94 -6.466 2.198 2.730 776 HB3 PRO 94 HB3 PRO 94 -8.006 1.501 2.211 777 HG2 PRO 94 HG2 PRO 94 -5.915 0.345 4.015 778 HG3 PRO 94 HG3 PRO 94 -7.679 0.331 4.194 779 HD2 PRO 94 HD2 PRO 94 -6.292 -1.805 3.276 780 HD3 PRO 94 HD3 PRO 94 -7.940 -1.432 2.732 Start of MODEL 7 1 H MET 1 H MET 1 2.751 -0.577 -4.182 2 HA MET 1 HA MET 1 2.784 -0.774 -1.315 3 HB2 MET 1 HB2 MET 1 1.347 -2.318 -3.471 4 HB3 MET 1 HB3 MET 1 1.193 -2.707 -1.763 5 HG2 MET 1 HG2 MET 1 -0.619 -1.361 -2.032 6 HG3 MET 1 HG3 MET 1 0.586 -0.163 -1.568 7 HE1 MET 1 HE1 MET 1 -1.444 -1.530 -4.953 8 HE2 MET 1 HE2 MET 1 -2.156 -0.916 -3.460 9 HE3 MET 1 HE3 MET 1 -2.146 0.088 -4.911 10 H THR 2 H THR 2 3.846 -2.197 -0.069 11 HA THR 2 HA THR 2 4.976 -4.618 -1.215 12 HB THR 2 HB THR 2 6.856 -3.303 -1.653 13 HG1 THR 2 HG1 THR 2 8.088 -4.619 -0.560 14 HG21 THR 2 HG21 THR 2 6.105 -1.858 0.855 15 HG22 THR 2 HG22 THR 2 6.459 -1.212 -0.747 16 HG23 THR 2 HG23 THR 2 7.769 -1.797 0.277 17 HA PRO 3 HA PRO 3 3.975 -6.208 2.763 18 HB2 PRO 3 HB2 PRO 3 5.624 -8.364 2.820 19 HB3 PRO 3 HB3 PRO 3 4.169 -8.294 1.819 20 HG2 PRO 3 HG2 PRO 3 7.023 -7.824 1.048 21 HG3 PRO 3 HG3 PRO 3 5.765 -8.728 0.184 22 HD2 PRO 3 HD2 PRO 3 6.468 -6.202 -0.491 23 HD3 PRO 3 HD3 PRO 3 4.814 -6.817 -0.687 24 H ILE 4 H ILE 4 7.368 -5.689 1.945 25 HA ILE 4 HA ILE 4 8.580 -6.057 4.392 26 HB ILE 4 HB ILE 4 9.758 -5.512 2.260 27 HG12 ILE 4 HG12 ILE 4 10.765 -3.509 4.209 28 HG13 ILE 4 HG13 ILE 4 10.593 -5.163 4.789 29 HG21 ILE 4 HG21 ILE 4 8.138 -3.384 2.083 30 HG22 ILE 4 HG22 ILE 4 9.555 -2.616 2.797 31 HG23 ILE 4 HG23 ILE 4 9.698 -3.481 1.267 32 HD11 ILE 4 HD11 ILE 4 12.785 -5.050 4.045 33 HD12 ILE 4 HD12 ILE 4 11.934 -5.812 2.701 34 HD13 ILE 4 HD13 ILE 4 12.358 -4.102 2.622 35 H GLU 5 H GLU 5 6.598 -3.389 3.301 36 HA GLU 5 HA GLU 5 7.254 -1.674 5.509 37 HB2 GLU 5 HB2 GLU 5 5.499 -1.561 3.144 38 HB3 GLU 5 HB3 GLU 5 4.911 -0.677 4.545 39 HG2 GLU 5 HG2 GLU 5 7.043 0.541 4.646 40 HG3 GLU 5 HG3 GLU 5 7.578 -0.313 3.200 41 H TYR 6 H TYR 6 4.514 -3.752 4.646 42 HA TYR 6 HA TYR 6 2.847 -3.157 6.795 43 HB2 TYR 6 HB2 TYR 6 3.185 -5.634 5.117 44 HB3 TYR 6 HB3 TYR 6 1.997 -5.559 6.413 45 HD1 TYR 6 HD1 TYR 6 2.135 -5.486 3.071 46 HD2 TYR 6 HD2 TYR 6 0.804 -2.978 6.239 47 HE1 TYR 6 HE1 TYR 6 0.543 -4.407 1.539 48 HE2 TYR 6 HE2 TYR 6 -0.793 -1.892 4.716 49 HH TYR 6 HH TYR 6 -1.501 -1.713 2.613 50 H ILE 7 H ILE 7 5.391 -5.613 6.516 51 HA ILE 7 HA ILE 7 5.007 -6.597 9.178 52 HB ILE 7 HB ILE 7 7.086 -7.856 8.808 53 HG12 ILE 7 HG12 ILE 7 7.742 -7.563 6.174 54 HG13 ILE 7 HG13 ILE 7 7.355 -5.904 6.616 55 HG21 ILE 7 HG21 ILE 7 5.485 -9.204 7.992 56 HG22 ILE 7 HG22 ILE 7 4.769 -7.928 7.010 57 HG23 ILE 7 HG23 ILE 7 6.189 -8.797 6.427 58 HD11 ILE 7 HD11 ILE 7 8.929 -6.339 8.623 59 HD12 ILE 7 HD12 ILE 7 9.523 -7.677 7.639 60 HD13 ILE 7 HD13 ILE 7 9.615 -6.024 7.029 61 H ASP 8 H ASP 8 7.128 -4.256 7.642 62 HA ASP 8 HA ASP 8 9.013 -3.904 9.657 63 HB2 ASP 8 HB2 ASP 8 9.454 -2.833 7.606 64 HB3 ASP 8 HB3 ASP 8 7.884 -2.033 7.587 65 H ARG 9 H ARG 9 5.782 -2.537 9.306 66 HA ARG 9 HA ARG 9 5.958 -0.705 11.453 67 HB2 ARG 9 HB2 ARG 9 3.787 -1.858 9.793 68 HB3 ARG 9 HB3 ARG 9 3.317 -1.190 11.350 69 HG2 ARG 9 HG2 ARG 9 3.086 0.664 10.061 70 HG3 ARG 9 HG3 ARG 9 4.781 0.845 10.518 71 HD2 ARG 9 HD2 ARG 9 5.459 -0.214 8.420 72 HD3 ARG 9 HD3 ARG 9 3.765 -0.403 7.967 73 HE ARG 9 HE ARG 9 5.349 1.952 7.717 74 HH11 ARG 9 HH11 ARG 9 2.114 0.809 8.311 75 HH12 ARG 9 HH12 ARG 9 1.356 2.244 7.703 76 HH21 ARG 9 HH21 ARG 9 4.363 3.845 6.914 77 HH22 ARG 9 HH22 ARG 9 2.636 3.970 6.908 78 H ALA 10 H ALA 10 5.047 -4.092 11.248 79 HA ALA 10 HA ALA 10 3.983 -4.323 13.864 80 HB1 ALA 10 HB1 ALA 10 5.265 -6.581 12.358 81 HB2 ALA 10 HB2 ALA 10 3.914 -6.633 13.491 82 HB3 ALA 10 HB3 ALA 10 3.697 -5.922 11.892 83 H LEU 11 H LEU 11 7.222 -4.640 12.531 84 HA LEU 11 HA LEU 11 8.547 -5.887 14.602 85 HB2 LEU 11 HB2 LEU 11 9.774 -5.489 12.657 86 HB3 LEU 11 HB3 LEU 11 9.383 -3.770 12.655 87 HG LEU 11 HG LEU 11 10.995 -4.737 14.935 88 HD11 LEU 11 HD11 LEU 11 11.894 -4.911 12.100 89 HD12 LEU 11 HD12 LEU 11 12.262 -5.961 13.468 90 HD13 LEU 11 HD13 LEU 11 13.037 -4.382 13.334 91 HD21 LEU 11 HD21 LEU 11 12.213 -2.560 13.831 92 HD22 LEU 11 HD22 LEU 11 10.974 -2.502 15.086 93 HD23 LEU 11 HD23 LEU 11 10.525 -2.295 13.392 94 H ALA 12 H ALA 12 7.873 -2.419 14.226 95 HA ALA 12 HA ALA 12 9.157 -1.528 16.543 96 HB1 ALA 12 HB1 ALA 12 7.717 -0.356 14.507 97 HB2 ALA 12 HB2 ALA 12 6.733 -0.043 15.937 98 HB3 ALA 12 HB3 ALA 12 8.419 0.474 15.896 99 H LEU 13 H LEU 13 5.953 -2.890 16.061 100 HA LEU 13 HA LEU 13 5.041 -2.300 18.715 101 HB2 LEU 13 HB2 LEU 13 3.976 -4.210 16.639 102 HB3 LEU 13 HB3 LEU 13 3.156 -3.783 18.140 103 HG LEU 13 HG LEU 13 3.807 -1.839 15.926 104 HD11 LEU 13 HD11 LEU 13 2.112 -2.836 14.863 105 HD12 LEU 13 HD12 LEU 13 1.088 -2.038 16.055 106 HD13 LEU 13 HD13 LEU 13 1.593 -3.709 16.305 107 HD21 LEU 13 HD21 LEU 13 3.663 -0.804 18.125 108 HD22 LEU 13 HD22 LEU 13 2.100 -1.573 18.399 109 HD23 LEU 13 HD23 LEU 13 2.275 -0.359 17.131 110 H VAL 14 H VAL 14 6.537 -5.038 17.101 111 HA VAL 14 HA VAL 14 6.148 -6.897 19.224 112 HB VAL 14 HB VAL 14 8.296 -6.994 17.106 113 HG11 VAL 14 HG11 VAL 14 8.867 -8.748 18.409 114 HG12 VAL 14 HG12 VAL 14 7.264 -8.868 19.138 115 HG13 VAL 14 HG13 VAL 14 7.559 -9.544 17.535 116 HG21 VAL 14 HG21 VAL 14 6.145 -8.662 16.403 117 HG22 VAL 14 HG22 VAL 14 5.447 -7.095 16.812 118 HG23 VAL 14 HG23 VAL 14 6.699 -7.206 15.575 119 H VAL 15 H VAL 15 8.931 -4.935 18.190 120 HA VAL 15 HA VAL 15 10.800 -5.761 20.042 121 HB VAL 15 HB VAL 15 10.408 -2.946 19.016 122 HG11 VAL 15 HG11 VAL 15 11.970 -2.542 20.600 123 HG12 VAL 15 HG12 VAL 15 12.487 -4.227 20.676 124 HG13 VAL 15 HG13 VAL 15 13.058 -3.186 19.371 125 HG21 VAL 15 HG21 VAL 15 11.079 -3.689 17.035 126 HG22 VAL 15 HG22 VAL 15 12.552 -4.331 17.760 127 HG23 VAL 15 HG23 VAL 15 11.107 -5.337 17.662 128 H ASP 16 H ASP 16 8.172 -3.449 20.438 129 HA ASP 16 HA ASP 16 8.929 -2.437 22.953 130 HB2 ASP 16 HB2 ASP 16 6.920 -1.900 21.168 131 HB3 ASP 16 HB3 ASP 16 6.035 -2.656 22.489 132 H ARG 17 H ARG 17 6.830 -5.148 22.046 133 HA ARG 17 HA ARG 17 6.184 -5.839 24.738 134 HB2 ARG 17 HB2 ARG 17 5.791 -7.116 22.061 135 HB3 ARG 17 HB3 ARG 17 5.546 -8.077 23.513 136 HG2 ARG 17 HG2 ARG 17 3.426 -7.300 23.086 137 HG3 ARG 17 HG3 ARG 17 4.020 -6.110 24.246 138 HD2 ARG 17 HD2 ARG 17 4.785 -4.810 22.138 139 HD3 ARG 17 HD3 ARG 17 3.642 -5.848 21.288 140 HE ARG 17 HE ARG 17 1.960 -4.567 22.131 141 HH11 ARG 17 HH11 ARG 17 4.759 -4.187 24.166 142 HH12 ARG 17 HH12 ARG 17 4.025 -2.984 25.173 143 HH21 ARG 17 HH21 ARG 17 0.983 -2.983 23.450 144 HH22 ARG 17 HH22 ARG 17 1.876 -2.300 24.765 145 H LEU 18 H LEU 18 8.628 -6.856 22.427 146 HA LEU 18 HA LEU 18 9.569 -9.160 23.637 147 HB2 LEU 18 HB2 LEU 18 10.581 -7.190 21.751 148 HB3 LEU 18 HB3 LEU 18 11.858 -7.908 22.730 149 HG LEU 18 HG LEU 18 11.475 -9.023 20.532 150 HD11 LEU 18 HD11 LEU 18 12.477 -10.138 22.544 151 HD12 LEU 18 HD12 LEU 18 11.735 -11.228 21.374 152 HD13 LEU 18 HD13 LEU 18 10.887 -10.828 22.867 153 HD21 LEU 18 HD21 LEU 18 8.958 -10.114 21.759 154 HD22 LEU 18 HD22 LEU 18 9.536 -10.281 20.100 155 HD23 LEU 18 HD23 LEU 18 8.953 -8.719 20.679 156 H ALA 19 H ALA 19 10.570 -5.801 24.236 157 HA ALA 19 HA ALA 19 12.511 -6.330 26.175 158 HB1 ALA 19 HB1 ALA 19 12.698 -4.101 26.313 159 HB2 ALA 19 HB2 ALA 19 11.564 -4.085 24.962 160 HB3 ALA 19 HB3 ALA 19 10.974 -3.875 26.610 161 H ARG 20 H ARG 20 9.018 -5.986 26.440 162 HA ARG 20 HA ARG 20 8.975 -5.977 29.299 163 HB2 ARG 20 HB2 ARG 20 6.813 -6.472 27.248 164 HB3 ARG 20 HB3 ARG 20 6.519 -6.398 28.980 165 HG2 ARG 20 HG2 ARG 20 7.216 -4.104 29.060 166 HG3 ARG 20 HG3 ARG 20 7.717 -4.157 27.369 167 HD2 ARG 20 HD2 ARG 20 5.375 -4.617 26.728 168 HD3 ARG 20 HD3 ARG 20 4.907 -4.459 28.421 169 HE ARG 20 HE ARG 20 5.425 -2.341 26.580 170 HH11 ARG 20 HH11 ARG 20 5.592 -3.247 29.937 171 HH12 ARG 20 HH12 ARG 20 5.469 -1.619 30.517 172 HH21 ARG 20 HH21 ARG 20 5.263 -0.194 27.331 173 HH22 ARG 20 HH22 ARG 20 5.281 0.117 29.034 174 H TYR 21 H TYR 21 8.734 -8.432 26.802 175 HA TYR 21 HA TYR 21 8.833 -10.486 28.906 176 HB2 TYR 21 HB2 TYR 21 7.300 -10.761 26.316 177 HB3 TYR 21 HB3 TYR 21 7.354 -11.917 27.642 178 HD1 TYR 21 HD1 TYR 21 5.597 -9.179 26.224 179 HD2 TYR 21 HD2 TYR 21 6.447 -11.095 29.927 180 HE1 TYR 21 HE1 TYR 21 3.620 -8.111 27.224 181 HE2 TYR 21 HE2 TYR 21 4.471 -10.033 30.937 182 HH TYR 21 HH TYR 21 3.027 -8.137 30.600 183 HA PRO 22 HA PRO 22 12.339 -10.905 25.863 184 HB2 PRO 22 HB2 PRO 22 14.280 -11.098 27.751 185 HB3 PRO 22 HB3 PRO 22 13.716 -9.551 27.107 186 HG2 PRO 22 HG2 PRO 22 12.973 -10.923 29.663 187 HG3 PRO 22 HG3 PRO 22 13.333 -9.210 29.375 188 HD2 PRO 22 HD2 PRO 22 10.803 -10.152 29.588 189 HD3 PRO 22 HD3 PRO 22 11.225 -8.777 28.547 190 H GLY 23 H GLY 23 11.098 -12.979 25.619 191 HA2 GLY 23 HA2 GLY 23 12.382 -15.228 25.548 192 HA3 GLY 23 HA3 GLY 23 12.162 -15.151 27.290 193 H TYR 24 H TYR 24 9.899 -14.234 24.722 194 HA TYR 24 HA TYR 24 7.953 -16.091 25.895 195 HB2 TYR 24 HB2 TYR 24 7.648 -13.468 25.317 196 HB3 TYR 24 HB3 TYR 24 7.086 -14.178 23.808 197 HD1 TYR 24 HD1 TYR 24 4.793 -14.295 23.692 198 HD2 TYR 24 HD2 TYR 24 6.683 -15.017 27.435 199 HE1 TYR 24 HE1 TYR 24 2.597 -14.731 24.710 200 HE2 TYR 24 HE2 TYR 24 4.492 -15.455 28.463 201 HH TYR 24 HH TYR 24 2.057 -14.772 27.967 202 H GLU 25 H GLU 25 7.327 -17.863 24.847 203 HA GLU 25 HA GLU 25 8.579 -18.719 22.480 204 HB2 GLU 25 HB2 GLU 25 5.997 -19.768 23.649 205 HB3 GLU 25 HB3 GLU 25 7.083 -20.622 22.562 206 HG2 GLU 25 HG2 GLU 25 8.844 -20.402 24.361 207 HG3 GLU 25 HG3 GLU 25 7.548 -19.871 25.430 208 H VAL 26 H VAL 26 5.490 -17.154 23.079 209 HA VAL 26 HA VAL 26 4.465 -17.501 20.443 210 HB VAL 26 HB VAL 26 3.674 -15.386 22.447 211 HG11 VAL 26 HG11 VAL 26 1.588 -15.307 21.274 212 HG12 VAL 26 HG12 VAL 26 2.886 -15.109 20.096 213 HG13 VAL 26 HG13 VAL 26 2.058 -16.659 20.245 214 HG21 VAL 26 HG21 VAL 26 3.390 -17.347 23.657 215 HG22 VAL 26 HG22 VAL 26 1.808 -17.118 22.911 216 HG23 VAL 26 HG23 VAL 26 2.944 -18.282 22.229 217 H LEU 27 H LEU 27 6.369 -15.024 22.047 218 HA LEU 27 HA LEU 27 6.142 -13.059 20.015 219 HB2 LEU 27 HB2 LEU 27 8.116 -13.509 22.234 220 HB3 LEU 27 HB3 LEU 27 8.267 -12.165 21.104 221 HG LEU 27 HG LEU 27 5.867 -12.620 22.872 222 HD11 LEU 27 HD11 LEU 27 6.921 -11.657 24.569 223 HD12 LEU 27 HD12 LEU 27 7.471 -10.331 23.546 224 HD13 LEU 27 HD13 LEU 27 8.423 -11.811 23.657 225 HD21 LEU 27 HD21 LEU 27 4.969 -10.767 21.969 226 HD22 LEU 27 HD22 LEU 27 6.029 -11.143 20.610 227 HD23 LEU 27 HD23 LEU 27 6.529 -9.957 21.817 228 H LEU 28 H LEU 28 8.728 -15.380 20.797 229 HA LEU 28 HA LEU 28 10.355 -14.726 18.583 230 HB2 LEU 28 HB2 LEU 28 11.446 -16.920 19.053 231 HB3 LEU 28 HB3 LEU 28 11.346 -15.828 20.433 232 HG LEU 28 HG LEU 28 9.135 -17.284 20.865 233 HD11 LEU 28 HD11 LEU 28 10.554 -18.724 18.843 234 HD12 LEU 28 HD12 LEU 28 9.025 -19.118 19.628 235 HD13 LEU 28 HD13 LEU 28 10.546 -19.657 20.339 236 HD21 LEU 28 HD21 LEU 28 11.977 -17.897 21.649 237 HD22 LEU 28 HD22 LEU 28 10.576 -18.691 22.370 238 HD23 LEU 28 HD23 LEU 28 10.787 -16.947 22.539 239 H SER 29 H SER 29 7.736 -17.018 19.038 240 HA SER 29 HA SER 29 8.142 -18.395 16.568 241 HB2 SER 29 HB2 SER 29 6.968 -19.454 18.449 242 HB3 SER 29 HB3 SER 29 5.684 -18.250 18.332 243 HG SER 29 HG SER 29 4.934 -19.924 17.170 244 H ALA 30 H ALA 30 6.005 -15.787 17.642 245 HA ALA 30 HA ALA 30 4.615 -15.550 15.167 246 HB1 ALA 30 HB1 ALA 30 4.876 -13.712 17.535 247 HB2 ALA 30 HB2 ALA 30 3.888 -13.334 16.124 248 HB3 ALA 30 HB3 ALA 30 3.516 -14.751 17.107 249 H GLU 31 H GLU 31 7.233 -13.663 16.671 250 HA GLU 31 HA GLU 31 7.556 -11.807 14.600 251 HB2 GLU 31 HB2 GLU 31 9.616 -11.217 15.618 252 HB3 GLU 31 HB3 GLU 31 8.541 -11.693 16.926 253 HG2 GLU 31 HG2 GLU 31 10.453 -12.773 17.537 254 HG3 GLU 31 HG3 GLU 31 9.663 -14.032 16.589 255 H LYS 32 H LYS 32 8.780 -15.060 15.010 256 HA LYS 32 HA LYS 32 10.836 -15.148 13.180 257 HB2 LYS 32 HB2 LYS 32 8.933 -17.099 14.299 258 HB3 LYS 32 HB3 LYS 32 9.646 -17.566 12.761 259 HG2 LYS 32 HG2 LYS 32 11.402 -16.589 14.966 260 HG3 LYS 32 HG3 LYS 32 10.791 -18.245 14.991 261 HD2 LYS 32 HD2 LYS 32 11.732 -18.591 12.734 262 HD3 LYS 32 HD3 LYS 32 12.400 -16.958 12.785 263 HE2 LYS 32 HE2 LYS 32 13.029 -18.995 14.900 264 HE3 LYS 32 HE3 LYS 32 13.948 -18.905 13.398 265 HZ1 LYS 32 HZ1 LYS 32 14.762 -16.817 13.927 266 HZ2 LYS 32 HZ2 LYS 32 14.793 -17.612 15.419 267 HZ3 LYS 32 HZ3 LYS 32 13.558 -16.509 15.075 268 H GLN 33 H GLN 33 7.381 -15.098 12.598 269 HA GLN 33 HA GLN 33 7.412 -15.845 9.886 270 HB2 GLN 33 HB2 GLN 33 5.495 -14.837 11.785 271 HB3 GLN 33 HB3 GLN 33 5.302 -14.016 10.242 272 HG2 GLN 33 HG2 GLN 33 5.165 -16.969 10.780 273 HG3 GLN 33 HG3 GLN 33 3.864 -15.904 10.250 274 HE21 GLN 33 HE21 GLN 33 6.247 -18.045 9.284 275 HE22 GLN 33 HE22 GLN 33 6.218 -17.720 7.588 276 H LEU 34 H LEU 34 7.137 -12.582 11.306 277 HA LEU 34 HA LEU 34 7.308 -11.116 8.971 278 HB2 LEU 34 HB2 LEU 34 7.576 -9.275 10.288 279 HB3 LEU 34 HB3 LEU 34 6.962 -10.423 11.476 280 HG LEU 34 HG LEU 34 9.573 -10.823 11.843 281 HD11 LEU 34 HD11 LEU 34 10.541 -9.359 10.333 282 HD12 LEU 34 HD12 LEU 34 10.554 -8.432 11.833 283 HD13 LEU 34 HD13 LEU 34 9.326 -8.110 10.608 284 HD21 LEU 34 HD21 LEU 34 9.234 -9.845 13.849 285 HD22 LEU 34 HD22 LEU 34 7.562 -9.786 13.293 286 HD23 LEU 34 HD23 LEU 34 8.592 -8.362 13.142 287 H GLN 35 H GLN 35 9.826 -12.742 10.741 288 HA GLN 35 HA GLN 35 12.015 -11.406 9.488 289 HB2 GLN 35 HB2 GLN 35 11.855 -14.034 10.969 290 HB3 GLN 35 HB3 GLN 35 13.356 -13.308 10.412 291 HG2 GLN 35 HG2 GLN 35 11.466 -11.872 12.246 292 HG3 GLN 35 HG3 GLN 35 12.726 -12.952 12.840 293 HE21 GLN 35 HE21 GLN 35 12.057 -9.850 12.492 294 HE22 GLN 35 HE22 GLN 35 13.629 -9.200 12.192 295 H TYR 36 H TYR 36 10.146 -14.298 8.806 296 HA TYR 36 HA TYR 36 11.881 -15.256 6.745 297 HB2 TYR 36 HB2 TYR 36 10.542 -16.904 7.770 298 HB3 TYR 36 HB3 TYR 36 9.077 -15.943 7.599 299 HD1 TYR 36 HD1 TYR 36 11.679 -16.857 5.086 300 HD2 TYR 36 HD2 TYR 36 7.616 -17.196 6.302 301 HE1 TYR 36 HE1 TYR 36 11.157 -18.036 2.992 302 HE2 TYR 36 HE2 TYR 36 7.083 -18.377 4.212 303 HH TYR 36 HH TYR 36 9.381 -18.635 1.609 304 H ILE 37 H ILE 37 8.636 -13.777 6.668 305 HA ILE 37 HA ILE 37 8.329 -13.551 3.938 306 HB ILE 37 HB ILE 37 7.417 -11.540 5.999 307 HG12 ILE 37 HG12 ILE 37 5.441 -13.423 4.983 308 HG13 ILE 37 HG13 ILE 37 6.768 -14.237 5.805 309 HG21 ILE 37 HG21 ILE 37 7.167 -10.552 3.873 310 HG22 ILE 37 HG22 ILE 37 6.594 -12.057 3.156 311 HG23 ILE 37 HG23 ILE 37 5.575 -11.180 4.298 312 HD11 ILE 37 HD11 ILE 37 4.539 -13.082 6.971 313 HD12 ILE 37 HD12 ILE 37 5.998 -13.638 7.792 314 HD13 ILE 37 HD13 ILE 37 5.850 -11.950 7.303 315 H ARG 38 H ARG 38 10.159 -11.499 6.128 316 HA ARG 38 HA ARG 38 10.711 -9.496 4.143 317 HB2 ARG 38 HB2 ARG 38 10.673 -8.784 6.425 318 HB3 ARG 38 HB3 ARG 38 11.827 -10.024 6.895 319 HG2 ARG 38 HG2 ARG 38 13.559 -8.906 5.572 320 HG3 ARG 38 HG3 ARG 38 12.397 -7.653 5.130 321 HD2 ARG 38 HD2 ARG 38 12.099 -7.397 7.700 322 HD3 ARG 38 HD3 ARG 38 13.654 -8.223 7.783 323 HE ARG 38 HE ARG 38 13.839 -6.096 5.958 324 HH11 ARG 38 HH11 ARG 38 13.502 -6.681 9.374 325 HH12 ARG 38 HH12 ARG 38 14.294 -5.211 9.836 326 HH21 ARG 38 HH21 ARG 38 14.883 -4.158 6.554 327 HH22 ARG 38 HH22 ARG 38 15.078 -3.776 8.232 328 H SER 39 H SER 39 12.415 -12.263 5.521 329 HA SER 39 HA SER 39 14.906 -11.793 4.285 330 HB2 SER 39 HB2 SER 39 14.549 -13.359 6.191 331 HB3 SER 39 HB3 SER 39 13.719 -14.459 5.091 332 HG SER 39 HG SER 39 15.578 -14.987 4.185 333 H VAL 40 H VAL 40 12.221 -13.942 3.359 334 HA VAL 40 HA VAL 40 13.320 -14.922 0.992 335 HB VAL 40 HB VAL 40 11.314 -15.889 1.992 336 HG11 VAL 40 HG11 VAL 40 9.692 -13.607 0.926 337 HG12 VAL 40 HG12 VAL 40 9.243 -14.834 2.112 338 HG13 VAL 40 HG13 VAL 40 10.375 -13.554 2.551 339 HG21 VAL 40 HG21 VAL 40 10.649 -16.692 0.014 340 HG22 VAL 40 HG22 VAL 40 10.131 -15.106 -0.556 341 HG23 VAL 40 HG23 VAL 40 11.824 -15.580 -0.690 342 H LEU 41 H LEU 41 11.578 -11.937 1.638 343 HA LEU 41 HA LEU 41 10.977 -11.108 -0.930 344 HB2 LEU 41 HB2 LEU 41 10.688 -10.029 1.508 345 HB3 LEU 41 HB3 LEU 41 12.028 -9.050 0.915 346 HG LEU 41 HG LEU 41 9.355 -9.331 -0.456 347 HD11 LEU 41 HD11 LEU 41 9.285 -8.149 1.742 348 HD12 LEU 41 HD12 LEU 41 8.833 -7.152 0.360 349 HD13 LEU 41 HD13 LEU 41 10.430 -6.979 1.086 350 HD21 LEU 41 HD21 LEU 41 11.917 -8.038 -1.152 351 HD22 LEU 41 HD22 LEU 41 10.456 -7.095 -1.448 352 HD23 LEU 41 HD23 LEU 41 10.648 -8.683 -2.193 353 H LEU 42 H LEU 42 14.038 -10.977 0.795 354 HA LEU 42 HA LEU 42 15.314 -9.624 -1.459 355 HB2 LEU 42 HB2 LEU 42 16.140 -10.255 1.347 356 HB3 LEU 42 HB3 LEU 42 17.348 -9.838 0.133 357 HG LEU 42 HG LEU 42 16.797 -7.893 1.452 358 HD11 LEU 42 HD11 LEU 42 15.363 -7.306 -1.078 359 HD12 LEU 42 HD12 LEU 42 17.019 -7.903 -1.185 360 HD13 LEU 42 HD13 LEU 42 16.670 -6.428 -0.283 361 HD21 LEU 42 HD21 LEU 42 14.524 -8.656 2.110 362 HD22 LEU 42 HD22 LEU 42 13.955 -8.218 0.499 363 HD23 LEU 42 HD23 LEU 42 14.585 -6.974 1.581 364 H ASP 43 H ASP 43 15.300 -12.699 0.243 365 HA ASP 43 HA ASP 43 17.424 -13.784 -1.403 366 HB2 ASP 43 HB2 ASP 43 17.086 -14.387 1.027 367 HB3 ASP 43 HB3 ASP 43 15.645 -15.272 0.533 368 H ARG 44 H ARG 44 17.003 -14.368 -3.423 369 HA ARG 44 HA ARG 44 14.330 -15.093 -4.250 370 HB2 ARG 44 HB2 ARG 44 16.944 -14.699 -5.677 371 HB3 ARG 44 HB3 ARG 44 15.578 -15.445 -6.495 372 HG2 ARG 44 HG2 ARG 44 15.448 -13.194 -7.077 373 HG3 ARG 44 HG3 ARG 44 14.254 -13.379 -5.791 374 HD2 ARG 44 HD2 ARG 44 15.669 -12.360 -4.198 375 HD3 ARG 44 HD3 ARG 44 17.072 -12.481 -5.259 376 HE ARG 44 HE ARG 44 15.034 -10.445 -5.295 377 HH11 ARG 44 HH11 ARG 44 17.530 -12.056 -7.109 378 HH12 ARG 44 HH12 ARG 44 17.765 -10.737 -8.208 379 HH21 ARG 44 HH21 ARG 44 15.333 -8.701 -6.735 380 HH22 ARG 44 HH22 ARG 44 16.515 -8.829 -7.993 381 H SER 45 H SER 45 17.435 -16.678 -3.764 382 HA SER 45 HA SER 45 16.939 -19.130 -4.958 383 HB2 SER 45 HB2 SER 45 19.134 -18.863 -4.232 384 HB3 SER 45 HB3 SER 45 18.644 -18.276 -2.643 385 HG SER 45 HG SER 45 19.286 -20.321 -2.276 386 H LEU 46 H LEU 46 15.990 -17.949 -1.776 387 HA LEU 46 HA LEU 46 15.092 -20.311 -0.630 388 HB2 LEU 46 HB2 LEU 46 14.702 -17.463 -0.211 389 HB3 LEU 46 HB3 LEU 46 13.276 -18.405 0.220 390 HG LEU 46 HG LEU 46 14.752 -17.967 2.141 391 HD11 LEU 46 HD11 LEU 46 13.418 -20.222 1.581 392 HD12 LEU 46 HD12 LEU 46 14.314 -19.974 3.079 393 HD13 LEU 46 HD13 LEU 46 15.046 -20.879 1.754 394 HD21 LEU 46 HD21 LEU 46 16.955 -18.116 1.940 395 HD22 LEU 46 HD22 LEU 46 16.778 -18.714 0.290 396 HD23 LEU 46 HD23 LEU 46 16.811 -19.849 1.641 397 H ASP 47 H ASP 47 12.975 -21.201 -0.402 398 HA ASP 47 HA ASP 47 11.573 -21.424 -2.857 399 HB2 ASP 47 HB2 ASP 47 11.206 -22.487 -0.091 400 HB3 ASP 47 HB3 ASP 47 9.847 -22.577 -1.208 401 H ARG 48 H ARG 48 9.790 -20.426 -3.600 402 HA ARG 48 HA ARG 48 8.815 -18.131 -2.105 403 HB2 ARG 48 HB2 ARG 48 8.627 -19.060 -4.937 404 HB3 ARG 48 HB3 ARG 48 7.411 -17.941 -4.337 405 HG2 ARG 48 HG2 ARG 48 8.902 -16.435 -5.123 406 HG3 ARG 48 HG3 ARG 48 9.576 -16.646 -3.505 407 HD2 ARG 48 HD2 ARG 48 11.447 -16.873 -4.840 408 HD3 ARG 48 HD3 ARG 48 10.952 -18.550 -4.610 409 HE ARG 48 HE ARG 48 10.514 -18.688 -6.849 410 HH11 ARG 48 HH11 ARG 48 10.745 -15.334 -5.943 411 HH12 ARG 48 HH12 ARG 48 10.673 -14.753 -7.574 412 HH21 ARG 48 HH21 ARG 48 10.419 -17.935 -9.001 413 HH22 ARG 48 HH22 ARG 48 10.487 -16.234 -9.312 414 H SER 49 H SER 49 7.579 -21.153 -3.466 415 HA SER 49 HA SER 49 4.877 -20.851 -2.997 416 HB2 SER 49 HB2 SER 49 4.731 -23.276 -2.972 417 HB3 SER 49 HB3 SER 49 5.921 -22.780 -4.176 418 HG SER 49 HG SER 49 7.555 -23.327 -2.740 419 H ALA 50 H ALA 50 7.440 -21.635 -0.734 420 HA ALA 50 HA ALA 50 6.015 -22.565 1.436 421 HB1 ALA 50 HB1 ALA 50 8.583 -21.170 1.065 422 HB2 ALA 50 HB2 ALA 50 7.896 -21.097 2.688 423 HB3 ALA 50 HB3 ALA 50 8.212 -22.660 1.934 424 H LEU 51 H LEU 51 6.387 -19.262 0.293 425 HA LEU 51 HA LEU 51 5.486 -17.821 2.463 426 HB2 LEU 51 HB2 LEU 51 5.145 -17.408 -0.488 427 HB3 LEU 51 HB3 LEU 51 4.503 -16.256 0.682 428 HG LEU 51 HG LEU 51 7.400 -17.006 0.746 429 HD11 LEU 51 HD11 LEU 51 6.286 -14.786 -0.951 430 HD12 LEU 51 HD12 LEU 51 6.757 -16.359 -1.594 431 HD13 LEU 51 HD13 LEU 51 7.962 -15.324 -0.828 432 HD21 LEU 51 HD21 LEU 51 7.049 -15.677 2.547 433 HD22 LEU 51 HD22 LEU 51 5.640 -14.892 1.834 434 HD23 LEU 51 HD23 LEU 51 7.263 -14.405 1.344 435 H HIS 52 H HIS 52 3.636 -19.686 0.133 436 HA HIS 52 HA HIS 52 1.104 -18.811 1.255 437 HB2 HIS 52 HB2 HIS 52 1.147 -19.122 -1.128 438 HB3 HIS 52 HB3 HIS 52 1.793 -20.752 -0.956 439 HD1 HIS 52 HD1 HIS 52 0.112 -22.571 0.004 440 HD2 HIS 52 HD2 HIS 52 -1.592 -18.930 -1.045 441 HE1 HIS 52 HE1 HIS 52 -2.362 -23.001 -0.135 442 H ARG 53 H ARG 53 3.195 -21.633 1.278 443 HA ARG 53 HA ARG 53 1.432 -23.470 2.445 444 HB2 ARG 53 HB2 ARG 53 3.705 -23.942 1.427 445 HB3 ARG 53 HB3 ARG 53 4.407 -23.367 2.933 446 HG2 ARG 53 HG2 ARG 53 4.363 -25.632 3.281 447 HG3 ARG 53 HG3 ARG 53 2.839 -25.138 4.020 448 HD2 ARG 53 HD2 ARG 53 1.878 -25.583 1.631 449 HD3 ARG 53 HD3 ARG 53 3.329 -26.565 1.443 450 HE ARG 53 HE ARG 53 1.998 -27.215 3.854 451 HH11 ARG 53 HH11 ARG 53 1.773 -27.614 0.403 452 HH12 ARG 53 HH12 ARG 53 0.894 -29.104 0.502 453 HH21 ARG 53 HH21 ARG 53 0.840 -29.175 3.997 454 HH22 ARG 53 HH22 ARG 53 0.363 -29.990 2.547 455 H LEU 54 H LEU 54 3.654 -21.135 3.911 456 HA LEU 54 HA LEU 54 3.454 -21.858 6.566 457 HB2 LEU 54 HB2 LEU 54 4.277 -19.757 7.101 458 HB3 LEU 54 HB3 LEU 54 4.854 -20.021 5.457 459 HG LEU 54 HG LEU 54 2.620 -18.684 4.886 460 HD11 LEU 54 HD11 LEU 54 2.886 -18.394 7.720 461 HD12 LEU 54 HD12 LEU 54 1.637 -17.766 6.646 462 HD13 LEU 54 HD13 LEU 54 3.102 -16.828 6.938 463 HD21 LEU 54 HD21 LEU 54 3.969 -16.839 4.441 464 HD22 LEU 54 HD22 LEU 54 5.101 -18.192 4.417 465 HD23 LEU 54 HD23 LEU 54 5.010 -17.142 5.832 466 H THR 55 H THR 55 2.206 -20.952 8.321 467 HA THR 55 HA THR 55 -0.243 -19.558 7.770 468 HB THR 55 HB THR 55 -0.601 -22.308 8.933 469 HG1 THR 55 HG1 THR 55 -0.953 -23.112 6.929 470 HG21 THR 55 HG21 THR 55 -2.527 -21.154 9.383 471 HG22 THR 55 HG22 THR 55 -2.917 -21.750 7.770 472 HG23 THR 55 HG23 THR 55 -2.348 -20.095 7.985 473 H LEU 56 H LEU 56 0.826 -18.173 9.305 474 HA LEU 56 HA LEU 56 0.619 -19.143 12.080 475 HB2 LEU 56 HB2 LEU 56 2.919 -18.543 11.197 476 HB3 LEU 56 HB3 LEU 56 2.356 -16.874 11.141 477 HG LEU 56 HG LEU 56 2.061 -16.861 13.547 478 HD11 LEU 56 HD11 LEU 56 2.365 -19.749 13.210 479 HD12 LEU 56 HD12 LEU 56 1.544 -18.831 14.471 480 HD13 LEU 56 HD13 LEU 56 3.288 -19.078 14.554 481 HD21 LEU 56 HD21 LEU 56 4.473 -17.298 14.201 482 HD22 LEU 56 HD22 LEU 56 4.208 -16.166 12.875 483 HD23 LEU 56 HD23 LEU 56 4.724 -17.818 12.535 484 H GLY 57 H GLY 57 0.185 -17.370 13.684 485 HA2 GLY 57 HA2 GLY 57 -0.698 -15.103 13.997 486 HA3 GLY 57 HA3 GLY 57 -1.622 -15.341 12.521 487 H SER 58 H SER 58 -2.371 -18.082 13.221 488 HA SER 58 HA SER 58 -4.837 -17.646 14.381 489 HB2 SER 58 HB2 SER 58 -3.214 -20.202 14.459 490 HB3 SER 58 HB3 SER 58 -4.954 -20.082 14.718 491 HG SER 58 HG SER 58 -5.100 -20.282 12.639 492 H ILE 59 H ILE 59 -1.751 -18.165 15.907 493 HA ILE 59 HA ILE 59 -2.869 -18.637 18.526 494 HB ILE 59 HB ILE 59 -0.555 -18.569 19.323 495 HG12 ILE 59 HG12 ILE 59 0.102 -17.849 16.459 496 HG13 ILE 59 HG13 ILE 59 0.316 -16.816 17.868 497 HG21 ILE 59 HG21 ILE 59 0.276 -20.509 18.108 498 HG22 ILE 59 HG22 ILE 59 -1.457 -20.646 18.399 499 HG23 ILE 59 HG23 ILE 59 -0.865 -20.193 16.801 500 HD11 ILE 59 HD11 ILE 59 2.444 -17.629 17.409 501 HD12 ILE 59 HD12 ILE 59 1.875 -18.646 18.733 502 HD13 ILE 59 HD13 ILE 59 1.854 -19.258 17.079 503 H ALA 60 H ALA 60 -1.531 -15.938 16.728 504 HA ALA 60 HA ALA 60 -1.347 -14.161 18.954 505 HB1 ALA 60 HB1 ALA 60 0.041 -13.675 17.110 506 HB2 ALA 60 HB2 ALA 60 -1.311 -13.727 15.979 507 HB3 ALA 60 HB3 ALA 60 -1.182 -12.405 17.138 508 H VAL 61 H VAL 61 -3.816 -14.899 16.564 509 HA VAL 61 HA VAL 61 -5.522 -12.710 17.155 510 HB VAL 61 HB VAL 61 -5.710 -13.977 15.062 511 HG11 VAL 61 HG11 VAL 61 -6.540 -16.205 16.901 512 HG12 VAL 61 HG12 VAL 61 -6.950 -16.191 15.185 513 HG13 VAL 61 HG13 VAL 61 -5.260 -16.202 15.689 514 HG21 VAL 61 HG21 VAL 61 -7.848 -13.365 14.900 515 HG22 VAL 61 HG22 VAL 61 -8.362 -14.565 16.085 516 HG23 VAL 61 HG23 VAL 61 -7.774 -12.992 16.622 517 H LYS 62 H LYS 62 -4.870 -15.674 18.752 518 HA LYS 62 HA LYS 62 -7.337 -15.501 20.328 519 HB2 LYS 62 HB2 LYS 62 -6.772 -17.699 19.385 520 HB3 LYS 62 HB3 LYS 62 -5.232 -17.670 20.234 521 HG2 LYS 62 HG2 LYS 62 -6.610 -19.034 21.534 522 HG3 LYS 62 HG3 LYS 62 -6.598 -17.481 22.373 523 HD2 LYS 62 HD2 LYS 62 -8.732 -16.943 21.111 524 HD3 LYS 62 HD3 LYS 62 -8.769 -18.645 20.642 525 HE2 LYS 62 HE2 LYS 62 -8.501 -17.853 23.519 526 HE3 LYS 62 HE3 LYS 62 -10.082 -17.883 22.739 527 HZ1 LYS 62 HZ1 LYS 62 -8.222 -20.137 23.190 528 HZ2 LYS 62 HZ2 LYS 62 -9.478 -20.234 22.062 529 HZ3 LYS 62 HZ3 LYS 62 -9.829 -19.983 23.697 530 H GLU 63 H GLU 63 -3.837 -15.958 20.849 531 HA GLU 63 HA GLU 63 -4.011 -15.326 23.632 532 HB2 GLU 63 HB2 GLU 63 -1.774 -15.824 21.705 533 HB3 GLU 63 HB3 GLU 63 -1.420 -15.129 23.280 534 HG2 GLU 63 HG2 GLU 63 -1.225 -17.643 23.058 535 HG3 GLU 63 HG3 GLU 63 -2.167 -17.030 24.417 536 H PHE 64 H PHE 64 -2.734 -13.608 20.790 537 HA PHE 64 HA PHE 64 -2.471 -11.170 22.371 538 HB2 PHE 64 HB2 PHE 64 -1.549 -11.989 19.628 539 HB3 PHE 64 HB3 PHE 64 -1.544 -10.298 20.118 540 HD1 PHE 64 HD1 PHE 64 0.548 -12.894 19.670 541 HD2 PHE 64 HD2 PHE 64 -0.583 -10.182 22.749 542 HE1 PHE 64 HE1 PHE 64 2.731 -13.222 20.757 543 HE2 PHE 64 HE2 PHE 64 1.598 -10.505 23.840 544 HZ PHE 64 HZ PHE 64 3.259 -12.026 22.844 545 H ASP 65 H ASP 65 -5.105 -12.174 21.849 546 HA ASP 65 HA ASP 65 -6.290 -10.678 19.716 547 HB2 ASP 65 HB2 ASP 65 -7.130 -12.853 20.914 548 HB3 ASP 65 HB3 ASP 65 -7.864 -11.719 22.045 549 H GLU 66 H GLU 66 -6.549 -10.413 23.267 550 HA GLU 66 HA GLU 66 -7.347 -7.605 22.916 551 HB2 GLU 66 HB2 GLU 66 -7.814 -9.581 25.141 552 HB3 GLU 66 HB3 GLU 66 -8.059 -7.854 25.364 553 HG2 GLU 66 HG2 GLU 66 -9.403 -9.330 23.135 554 HG3 GLU 66 HG3 GLU 66 -10.077 -9.316 24.764 555 H THR 67 H THR 67 -5.151 -9.729 24.682 556 HA THR 67 HA THR 67 -3.915 -7.868 26.332 557 HB THR 67 HB THR 67 -1.907 -9.380 26.230 558 HG1 THR 67 HG1 THR 67 -1.953 -11.133 24.906 559 HG21 THR 67 HG21 THR 67 -2.934 -11.138 27.443 560 HG22 THR 67 HG22 THR 67 -4.466 -10.925 26.598 561 HG23 THR 67 HG23 THR 67 -3.914 -9.705 27.745 562 H ASP 68 H ASP 68 -3.375 -8.586 22.934 563 HA ASP 68 HA ASP 68 -2.040 -6.067 22.565 564 HB2 ASP 68 HB2 ASP 68 -0.310 -7.912 23.332 565 HB3 ASP 68 HB3 ASP 68 -0.420 -8.403 21.644 566 HA PRO 69 HA PRO 69 -4.548 -7.527 18.982 567 HB2 PRO 69 HB2 PRO 69 -5.709 -5.114 18.536 568 HB3 PRO 69 HB3 PRO 69 -6.341 -6.284 19.701 569 HG2 PRO 69 HG2 PRO 69 -4.641 -3.866 20.177 570 HG3 PRO 69 HG3 PRO 69 -6.044 -4.445 21.093 571 HD2 PRO 69 HD2 PRO 69 -3.497 -4.862 21.912 572 HD3 PRO 69 HD3 PRO 69 -4.806 -6.015 22.240 573 H GLU 70 H GLU 70 -2.550 -4.658 19.448 574 HA GLU 70 HA GLU 70 -2.256 -3.907 16.767 575 HB2 GLU 70 HB2 GLU 70 -0.815 -3.393 19.295 576 HB3 GLU 70 HB3 GLU 70 0.126 -3.167 17.828 577 HG2 GLU 70 HG2 GLU 70 -1.164 -1.414 17.102 578 HG3 GLU 70 HG3 GLU 70 -2.575 -1.930 18.023 579 H LEU 71 H LEU 71 -0.591 -6.318 18.702 580 HA LEU 71 HA LEU 71 1.461 -6.847 16.789 581 HB2 LEU 71 HB2 LEU 71 0.730 -7.735 19.416 582 HB3 LEU 71 HB3 LEU 71 1.074 -9.127 18.391 583 HG LEU 71 HG LEU 71 3.006 -8.266 19.748 584 HD11 LEU 71 HD11 LEU 71 4.583 -8.720 18.069 585 HD12 LEU 71 HD12 LEU 71 3.530 -8.106 16.795 586 HD13 LEU 71 HD13 LEU 71 3.141 -9.623 17.605 587 HD21 LEU 71 HD21 LEU 71 3.982 -6.227 19.356 588 HD22 LEU 71 HD22 LEU 71 2.279 -5.821 19.143 589 HD23 LEU 71 HD23 LEU 71 3.305 -6.090 17.733 590 H SER 72 H SER 72 -1.532 -8.540 17.703 591 HA SER 72 HA SER 72 -1.308 -10.626 15.838 592 HB2 SER 72 HB2 SER 72 -2.858 -10.836 17.665 593 HB3 SER 72 HB3 SER 72 -3.737 -9.395 17.154 594 HG SER 72 HG SER 72 -3.479 -11.559 15.385 595 H ARG 73 H ARG 73 -3.067 -7.541 15.651 596 HA ARG 73 HA ARG 73 -4.187 -7.863 13.128 597 HB2 ARG 73 HB2 ARG 73 -4.648 -6.013 14.785 598 HB3 ARG 73 HB3 ARG 73 -3.161 -5.251 14.238 599 HG2 ARG 73 HG2 ARG 73 -4.098 -5.183 11.944 600 HG3 ARG 73 HG3 ARG 73 -5.615 -5.814 12.590 601 HD2 ARG 73 HD2 ARG 73 -4.419 -3.394 13.847 602 HD3 ARG 73 HD3 ARG 73 -5.222 -3.225 12.286 603 HE ARG 73 HE ARG 73 -6.469 -3.624 14.821 604 HH11 ARG 73 HH11 ARG 73 -6.774 -4.259 11.412 605 HH12 ARG 73 HH12 ARG 73 -8.501 -4.383 11.457 606 HH21 ARG 73 HH21 ARG 73 -8.743 -3.784 14.893 607 HH22 ARG 73 HH22 ARG 73 -9.620 -4.111 13.438 608 H ALA 74 H ALA 74 -0.953 -6.864 14.061 609 HA ALA 74 HA ALA 74 -0.182 -6.148 11.377 610 HB1 ALA 74 HB1 ALA 74 1.720 -5.323 12.287 611 HB2 ALA 74 HB2 ALA 74 0.748 -5.371 13.759 612 HB3 ALA 74 HB3 ALA 74 1.895 -6.667 13.417 613 H LEU 75 H LEU 75 0.107 -8.937 13.485 614 HA LEU 75 HA LEU 75 2.010 -10.351 11.931 615 HB2 LEU 75 HB2 LEU 75 0.273 -10.888 14.225 616 HB3 LEU 75 HB3 LEU 75 0.578 -12.297 13.211 617 HG LEU 75 HG LEU 75 2.147 -12.234 15.048 618 HD11 LEU 75 HD11 LEU 75 3.670 -11.415 12.594 619 HD12 LEU 75 HD12 LEU 75 2.832 -12.962 12.711 620 HD13 LEU 75 HD13 LEU 75 4.130 -12.574 13.841 621 HD21 LEU 75 HD21 LEU 75 3.899 -10.260 14.798 622 HD22 LEU 75 HD22 LEU 75 2.450 -10.103 15.792 623 HD23 LEU 75 HD23 LEU 75 2.483 -9.420 14.166 624 H LYS 76 H LYS 76 -1.502 -10.879 12.291 625 HA LYS 76 HA LYS 76 -1.795 -12.770 10.281 626 HB2 LYS 76 HB2 LYS 76 -4.144 -12.273 10.321 627 HB3 LYS 76 HB3 LYS 76 -3.530 -12.133 11.963 628 HG2 LYS 76 HG2 LYS 76 -3.447 -9.696 11.714 629 HG3 LYS 76 HG3 LYS 76 -4.097 -9.851 10.081 630 HD2 LYS 76 HD2 LYS 76 -5.862 -9.280 11.658 631 HD3 LYS 76 HD3 LYS 76 -6.121 -10.895 10.993 632 HE2 LYS 76 HE2 LYS 76 -5.827 -11.900 12.989 633 HE3 LYS 76 HE3 LYS 76 -4.535 -10.799 13.467 634 HZ1 LYS 76 HZ1 LYS 76 -7.394 -10.620 13.942 635 HZ2 LYS 76 HZ2 LYS 76 -6.627 -9.164 13.550 636 HZ3 LYS 76 HZ3 LYS 76 -6.102 -10.064 14.883 637 H ASP 77 H ASP 77 -1.646 -9.271 10.077 638 HA ASP 77 HA ASP 77 -2.396 -9.185 7.299 639 HB2 ASP 77 HB2 ASP 77 -2.885 -7.290 8.770 640 HB3 ASP 77 HB3 ASP 77 -1.164 -7.068 9.076 641 H ALA 78 H ALA 78 0.554 -9.413 9.131 642 HA ALA 78 HA ALA 78 2.390 -8.571 7.185 643 HB1 ALA 78 HB1 ALA 78 2.481 -9.865 9.751 644 HB2 ALA 78 HB2 ALA 78 3.646 -10.596 8.647 645 HB3 ALA 78 HB3 ALA 78 3.695 -8.861 8.957 646 H TYR 79 H TYR 79 1.492 -11.914 8.065 647 HA TYR 79 HA TYR 79 2.810 -13.068 5.835 648 HB2 TYR 79 HB2 TYR 79 2.139 -15.093 6.682 649 HB3 TYR 79 HB3 TYR 79 1.961 -14.103 8.126 650 HD1 TYR 79 HD1 TYR 79 0.250 -16.091 5.625 651 HD2 TYR 79 HD2 TYR 79 -0.300 -13.348 8.831 652 HE1 TYR 79 HE1 TYR 79 -2.115 -16.750 5.774 653 HE2 TYR 79 HE2 TYR 79 -2.667 -14.000 8.989 654 HH TYR 79 HH TYR 79 -4.079 -16.354 6.740 655 H TYR 80 H TYR 80 -0.417 -11.850 6.374 656 HA TYR 80 HA TYR 80 -1.848 -13.055 4.349 657 HB2 TYR 80 HB2 TYR 80 -2.971 -11.616 5.899 658 HB3 TYR 80 HB3 TYR 80 -1.998 -10.232 5.413 659 HD1 TYR 80 HD1 TYR 80 -4.501 -12.656 4.092 660 HD2 TYR 80 HD2 TYR 80 -2.793 -8.771 3.782 661 HE1 TYR 80 HE1 TYR 80 -6.217 -12.039 2.441 662 HE2 TYR 80 HE2 TYR 80 -4.505 -8.144 2.131 663 HH TYR 80 HH TYR 80 -6.030 -9.143 0.591 664 H VAL 81 H VAL 81 -0.124 -9.939 4.107 665 HA VAL 81 HA VAL 81 -0.459 -9.686 1.314 666 HB VAL 81 HB VAL 81 0.040 -7.743 2.674 667 HG11 VAL 81 HG11 VAL 81 2.243 -7.398 3.670 668 HG12 VAL 81 HG12 VAL 81 1.457 -8.827 4.345 669 HG13 VAL 81 HG13 VAL 81 2.738 -9.007 3.146 670 HG21 VAL 81 HG21 VAL 81 0.765 -7.874 0.263 671 HG22 VAL 81 HG22 VAL 81 1.607 -6.676 1.246 672 HG23 VAL 81 HG23 VAL 81 2.393 -8.205 0.854 673 H GLY 82 H GLY 82 2.034 -11.169 3.300 674 HA2 GLY 82 HA2 GLY 82 4.057 -11.471 1.411 675 HA3 GLY 82 HA3 GLY 82 3.773 -12.564 2.757 676 H ILE 83 H ILE 83 1.423 -13.744 2.176 677 HA ILE 83 HA ILE 83 2.070 -15.767 0.417 678 HB ILE 83 HB ILE 83 -0.708 -14.810 1.118 679 HG12 ILE 83 HG12 ILE 83 0.778 -17.104 2.378 680 HG13 ILE 83 HG13 ILE 83 0.951 -15.462 2.988 681 HG21 ILE 83 HG21 ILE 83 -1.038 -16.235 -0.679 682 HG22 ILE 83 HG22 ILE 83 0.318 -17.272 -0.236 683 HG23 ILE 83 HG23 ILE 83 -1.174 -17.321 0.703 684 HD11 ILE 83 HD11 ILE 83 -1.772 -16.620 2.643 685 HD12 ILE 83 HD12 ILE 83 -0.791 -17.074 4.037 686 HD13 ILE 83 HD13 ILE 83 -1.207 -15.382 3.765 687 H ARG 84 H ARG 84 0.025 -12.923 -0.216 688 HA ARG 84 HA ARG 84 -0.697 -13.453 -2.826 689 HB2 ARG 84 HB2 ARG 84 -0.013 -10.757 -1.638 690 HB3 ARG 84 HB3 ARG 84 -0.950 -11.023 -3.102 691 HG2 ARG 84 HG2 ARG 84 -1.750 -11.989 -0.365 692 HG3 ARG 84 HG3 ARG 84 -2.328 -10.501 -1.118 693 HD2 ARG 84 HD2 ARG 84 -4.021 -11.939 -1.682 694 HD3 ARG 84 HD3 ARG 84 -2.965 -12.121 -3.082 695 HE ARG 84 HE ARG 84 -2.097 -14.069 -1.441 696 HH11 ARG 84 HH11 ARG 84 -5.272 -13.164 -2.548 697 HH12 ARG 84 HH12 ARG 84 -5.899 -14.777 -2.475 698 HH21 ARG 84 HH21 ARG 84 -2.912 -16.197 -1.342 699 HH22 ARG 84 HH22 ARG 84 -4.556 -16.501 -1.788 700 H THR 85 H THR 85 2.118 -11.539 -1.761 701 HA THR 85 HA THR 85 3.229 -11.137 -4.293 702 HB THR 85 HB THR 85 4.957 -11.460 -1.857 703 HG1 THR 85 HG1 THR 85 3.366 -9.171 -2.455 704 HG21 THR 85 HG21 THR 85 5.112 -10.130 -4.473 705 HG22 THR 85 HG22 THR 85 6.399 -10.731 -3.428 706 HG23 THR 85 HG23 THR 85 5.672 -9.155 -3.115 707 H GLY 86 H GLY 86 3.528 -13.826 -2.045 708 HA2 GLY 86 HA2 GLY 86 5.712 -15.166 -3.081 709 HA3 GLY 86 HA3 GLY 86 4.321 -15.960 -2.356 710 H ARG 87 H ARG 87 2.443 -15.002 -4.355 711 HA ARG 87 HA ARG 87 3.216 -16.816 -6.533 712 HB2 ARG 87 HB2 ARG 87 1.203 -17.522 -5.430 713 HB3 ARG 87 HB3 ARG 87 0.511 -15.910 -5.546 714 HG2 ARG 87 HG2 ARG 87 0.067 -16.121 -7.809 715 HG3 ARG 87 HG3 ARG 87 1.240 -17.423 -8.017 716 HD2 ARG 87 HD2 ARG 87 -0.234 -18.847 -6.566 717 HD3 ARG 87 HD3 ARG 87 -1.439 -17.562 -6.647 718 HE ARG 87 HE ARG 87 -0.655 -18.266 -9.253 719 HH11 ARG 87 HH11 ARG 87 -2.441 -19.528 -6.545 720 HH12 ARG 87 HH12 ARG 87 -3.482 -20.509 -7.523 721 HH21 ARG 87 HH21 ARG 87 -2.019 -19.553 -10.551 722 HH22 ARG 87 HH22 ARG 87 -3.241 -20.523 -9.801 723 H GLY 88 H GLY 88 2.373 -13.544 -5.788 724 HA2 GLY 88 HA2 GLY 88 3.102 -11.806 -7.304 725 HA3 GLY 88 HA3 GLY 88 2.694 -12.871 -8.641 726 H LEU 89 H LEU 89 0.654 -12.359 -5.829 727 HA LEU 89 HA LEU 89 -1.498 -11.489 -7.567 728 HB2 LEU 89 HB2 LEU 89 -1.264 -12.378 -4.737 729 HB3 LEU 89 HB3 LEU 89 -2.655 -11.399 -5.198 730 HG LEU 89 HG LEU 89 -2.842 -13.247 -7.099 731 HD11 LEU 89 HD11 LEU 89 -2.311 -15.463 -6.106 732 HD12 LEU 89 HD12 LEU 89 -1.416 -14.631 -4.835 733 HD13 LEU 89 HD13 LEU 89 -0.889 -14.502 -6.512 734 HD21 LEU 89 HD21 LEU 89 -4.744 -13.667 -6.028 735 HD22 LEU 89 HD22 LEU 89 -4.152 -12.645 -4.717 736 HD23 LEU 89 HD23 LEU 89 -3.891 -14.389 -4.664 737 H LYS 90 H LYS 90 -2.971 -9.714 -6.515 738 HA LYS 90 HA LYS 90 -1.235 -7.440 -5.803 739 HB2 LYS 90 HB2 LYS 90 -2.213 -7.247 -8.059 740 HB3 LYS 90 HB3 LYS 90 -3.823 -7.393 -7.368 741 HG2 LYS 90 HG2 LYS 90 -3.710 -5.138 -7.535 742 HG3 LYS 90 HG3 LYS 90 -2.990 -5.326 -5.935 743 HD2 LYS 90 HD2 LYS 90 -0.749 -5.307 -6.983 744 HD3 LYS 90 HD3 LYS 90 -1.512 -5.018 -8.549 745 HE2 LYS 90 HE2 LYS 90 -2.632 -3.021 -7.224 746 HE3 LYS 90 HE3 LYS 90 -1.198 -3.201 -6.214 747 HZ1 LYS 90 HZ1 LYS 90 -0.659 -3.187 -9.048 748 HZ2 LYS 90 HZ2 LYS 90 0.112 -2.352 -7.795 749 HZ3 LYS 90 HZ3 LYS 90 -1.313 -1.738 -8.468 750 H VAL 91 H VAL 91 -1.596 -6.546 -3.886 751 HA VAL 91 HA VAL 91 -3.577 -7.481 -2.115 752 HB VAL 91 HB VAL 91 -2.909 -5.509 -0.696 753 HG11 VAL 91 HG11 VAL 91 -0.378 -6.800 -1.527 754 HG12 VAL 91 HG12 VAL 91 -1.095 -6.633 0.077 755 HG13 VAL 91 HG13 VAL 91 -1.697 -7.863 -1.036 756 HG21 VAL 91 HG21 VAL 91 -2.149 -4.352 -3.015 757 HG22 VAL 91 HG22 VAL 91 -1.545 -3.869 -1.430 758 HG23 VAL 91 HG23 VAL 91 -0.598 -4.963 -2.438 759 H ASP 92 H ASP 92 -5.349 -6.342 -1.173 760 HA ASP 92 HA ASP 92 -6.448 -4.184 -2.844 761 HB2 ASP 92 HB2 ASP 92 -7.813 -6.688 -1.879 762 HB3 ASP 92 HB3 ASP 92 -8.731 -5.246 -2.301 763 H LEU 93 H LEU 93 -5.021 -3.681 -0.549 764 HA LEU 93 HA LEU 93 -7.091 -2.504 1.131 765 HB2 LEU 93 HB2 LEU 93 -5.549 -3.215 3.130 766 HB3 LEU 93 HB3 LEU 93 -6.805 -4.288 2.518 767 HG LEU 93 HG LEU 93 -5.139 -5.567 1.288 768 HD11 LEU 93 HD11 LEU 93 -3.210 -3.550 2.416 769 HD12 LEU 93 HD12 LEU 93 -3.537 -3.900 0.720 770 HD13 LEU 93 HD13 LEU 93 -2.721 -5.097 1.725 771 HD21 LEU 93 HD21 LEU 93 -3.941 -6.524 3.203 772 HD22 LEU 93 HD22 LEU 93 -5.641 -6.233 3.570 773 HD23 LEU 93 HD23 LEU 93 -4.405 -5.133 4.182 774 HA PRO 94 HA PRO 94 -4.407 0.962 1.294 775 HB2 PRO 94 HB2 PRO 94 -4.846 1.917 3.797 776 HB3 PRO 94 HB3 PRO 94 -6.037 2.046 2.497 777 HG2 PRO 94 HG2 PRO 94 -5.884 0.065 4.736 778 HG3 PRO 94 HG3 PRO 94 -7.299 0.918 4.093 779 HD2 PRO 94 HD2 PRO 94 -6.725 -1.647 3.443 780 HD3 PRO 94 HD3 PRO 94 -7.521 -0.531 2.314 Start of MODEL 8 1 H MET 1 H MET 1 2.564 2.381 0.300 2 HA MET 1 HA MET 1 2.283 1.323 -2.068 3 HB2 MET 1 HB2 MET 1 4.428 2.267 -2.828 4 HB3 MET 1 HB3 MET 1 3.570 3.363 -1.754 5 HG2 MET 1 HG2 MET 1 5.065 2.189 0.071 6 HG3 MET 1 HG3 MET 1 6.095 1.867 -1.322 7 HE1 MET 1 HE1 MET 1 8.144 3.191 -0.946 8 HE2 MET 1 HE2 MET 1 7.542 3.647 -2.540 9 HE3 MET 1 HE3 MET 1 8.178 4.881 -1.450 10 H THR 2 H THR 2 4.623 0.086 0.246 11 HA THR 2 HA THR 2 5.025 -2.246 -1.512 12 HB THR 2 HB THR 2 7.132 -1.243 -1.554 13 HG1 THR 2 HG1 THR 2 8.197 -2.911 -0.791 14 HG21 THR 2 HG21 THR 2 8.243 -0.465 0.609 15 HG22 THR 2 HG22 THR 2 6.638 -0.559 1.333 16 HG23 THR 2 HG23 THR 2 6.933 0.534 -0.019 17 HA PRO 3 HA PRO 3 3.560 -4.713 1.822 18 HB2 PRO 3 HB2 PRO 3 4.788 -7.060 1.229 19 HB3 PRO 3 HB3 PRO 3 3.421 -6.430 0.302 20 HG2 PRO 3 HG2 PRO 3 6.348 -6.297 -0.312 21 HG3 PRO 3 HG3 PRO 3 4.992 -6.658 -1.397 22 HD2 PRO 3 HD2 PRO 3 6.171 -4.222 -1.298 23 HD3 PRO 3 HD3 PRO 3 4.445 -4.434 -1.657 24 H ILE 4 H ILE 4 7.028 -4.634 1.172 25 HA ILE 4 HA ILE 4 8.023 -5.914 3.403 26 HB ILE 4 HB ILE 4 9.388 -5.022 1.510 27 HG12 ILE 4 HG12 ILE 4 10.656 -3.902 3.952 28 HG13 ILE 4 HG13 ILE 4 10.144 -5.584 4.026 29 HG21 ILE 4 HG21 ILE 4 8.211 -2.657 1.979 30 HG22 ILE 4 HG22 ILE 4 9.716 -2.423 2.868 31 HG23 ILE 4 HG23 ILE 4 9.760 -2.821 1.151 32 HD11 ILE 4 HD11 ILE 4 12.513 -4.571 2.966 33 HD12 ILE 4 HD12 ILE 4 11.912 -6.226 2.865 34 HD13 ILE 4 HD13 ILE 4 11.552 -5.076 1.577 35 H GLU 5 H GLU 5 6.620 -2.723 3.142 36 HA GLU 5 HA GLU 5 7.489 -1.830 5.721 37 HB2 GLU 5 HB2 GLU 5 6.384 -0.621 3.483 38 HB3 GLU 5 HB3 GLU 5 5.103 -0.518 4.682 39 HG2 GLU 5 HG2 GLU 5 7.929 0.419 5.112 40 HG3 GLU 5 HG3 GLU 5 6.583 1.455 4.641 41 H TYR 6 H TYR 6 4.488 -3.169 4.403 42 HA TYR 6 HA TYR 6 2.899 -2.913 6.689 43 HB2 TYR 6 HB2 TYR 6 2.821 -4.964 4.471 44 HB3 TYR 6 HB3 TYR 6 1.571 -4.801 5.699 45 HD1 TYR 6 HD1 TYR 6 1.713 -4.368 2.498 46 HD2 TYR 6 HD2 TYR 6 1.416 -1.836 5.905 47 HE1 TYR 6 HE1 TYR 6 0.595 -2.661 1.125 48 HE2 TYR 6 HE2 TYR 6 0.296 -0.123 4.541 49 HH TYR 6 HH TYR 6 -1.049 -0.699 1.605 50 H ILE 7 H ILE 7 4.874 -5.665 5.599 51 HA ILE 7 HA ILE 7 4.328 -7.279 7.866 52 HB ILE 7 HB ILE 7 6.243 -8.646 7.123 53 HG12 ILE 7 HG12 ILE 7 7.024 -7.714 4.697 54 HG13 ILE 7 HG13 ILE 7 6.800 -6.197 5.562 55 HG21 ILE 7 HG21 ILE 7 4.037 -8.976 6.131 56 HG22 ILE 7 HG22 ILE 7 4.412 -7.784 4.888 57 HG23 ILE 7 HG23 ILE 7 5.316 -9.296 4.959 58 HD11 ILE 7 HD11 ILE 7 8.255 -8.090 7.168 59 HD12 ILE 7 HD12 ILE 7 9.033 -7.844 5.603 60 HD13 ILE 7 HD13 ILE 7 8.705 -6.464 6.652 61 H ASP 8 H ASP 8 6.847 -4.947 7.096 62 HA ASP 8 HA ASP 8 8.527 -5.535 9.304 63 HB2 ASP 8 HB2 ASP 8 9.346 -4.324 7.339 64 HB3 ASP 8 HB3 ASP 8 8.260 -2.984 7.698 65 H ARG 9 H ARG 9 5.771 -3.412 8.850 66 HA ARG 9 HA ARG 9 5.977 -1.761 11.053 67 HB2 ARG 9 HB2 ARG 9 4.192 -1.838 9.181 68 HB3 ARG 9 HB3 ARG 9 3.343 -2.957 10.239 69 HG2 ARG 9 HG2 ARG 9 3.062 -1.322 11.913 70 HG3 ARG 9 HG3 ARG 9 4.223 -0.234 11.147 71 HD2 ARG 9 HD2 ARG 9 2.743 0.393 9.491 72 HD3 ARG 9 HD3 ARG 9 1.787 -1.081 9.644 73 HE ARG 9 HE ARG 9 1.473 0.245 12.029 74 HH11 ARG 9 HH11 ARG 9 0.889 0.947 8.669 75 HH12 ARG 9 HH12 ARG 9 -0.445 2.006 8.987 76 HH21 ARG 9 HH21 ARG 9 -0.282 1.637 12.460 77 HH22 ARG 9 HH22 ARG 9 -1.110 2.399 11.144 78 H ALA 10 H ALA 10 4.885 -5.101 10.882 79 HA ALA 10 HA ALA 10 3.780 -5.349 13.435 80 HB1 ALA 10 HB1 ALA 10 4.129 -7.022 11.316 81 HB2 ALA 10 HB2 ALA 10 5.250 -7.703 12.496 82 HB3 ALA 10 HB3 ALA 10 3.545 -7.515 12.906 83 H LEU 11 H LEU 11 7.119 -5.887 12.339 84 HA LEU 11 HA LEU 11 8.247 -6.795 14.686 85 HB2 LEU 11 HB2 LEU 11 9.641 -6.838 12.836 86 HB3 LEU 11 HB3 LEU 11 9.294 -5.163 12.412 87 HG LEU 11 HG LEU 11 10.729 -5.593 14.960 88 HD11 LEU 11 HD11 LEU 11 12.894 -5.713 13.614 89 HD12 LEU 11 HD12 LEU 11 11.890 -6.280 12.280 90 HD13 LEU 11 HD13 LEU 11 11.958 -7.198 13.784 91 HD21 LEU 11 HD21 LEU 11 12.038 -3.751 13.352 92 HD22 LEU 11 HD22 LEU 11 10.874 -3.397 14.628 93 HD23 LEU 11 HD23 LEU 11 10.333 -3.542 12.955 94 H ALA 12 H ALA 12 7.693 -3.444 13.672 95 HA ALA 12 HA ALA 12 8.965 -2.089 15.710 96 HB1 ALA 12 HB1 ALA 12 6.593 -0.672 15.247 97 HB2 ALA 12 HB2 ALA 12 8.163 -0.423 14.483 98 HB3 ALA 12 HB3 ALA 12 6.976 -1.487 13.730 99 H LEU 13 H LEU 13 5.596 -3.248 15.671 100 HA LEU 13 HA LEU 13 5.036 -2.421 18.329 101 HB2 LEU 13 HB2 LEU 13 3.644 -4.590 16.773 102 HB3 LEU 13 HB3 LEU 13 2.994 -3.648 18.113 103 HG LEU 13 HG LEU 13 3.717 -2.478 15.430 104 HD11 LEU 13 HD11 LEU 13 1.330 -3.925 16.336 105 HD12 LEU 13 HD12 LEU 13 1.921 -3.610 14.705 106 HD13 LEU 13 HD13 LEU 13 1.015 -2.368 15.569 107 HD21 LEU 13 HD21 LEU 13 3.674 -0.667 16.814 108 HD22 LEU 13 HD22 LEU 13 2.578 -1.430 17.965 109 HD23 LEU 13 HD23 LEU 13 1.953 -0.786 16.446 110 H VAL 14 H VAL 14 6.219 -5.405 16.899 111 HA VAL 14 HA VAL 14 5.906 -7.142 19.048 112 HB VAL 14 HB VAL 14 8.167 -7.079 17.043 113 HG11 VAL 14 HG11 VAL 14 7.721 -9.700 17.758 114 HG12 VAL 14 HG12 VAL 14 9.046 -8.683 18.326 115 HG13 VAL 14 HG13 VAL 14 7.576 -8.835 19.288 116 HG21 VAL 14 HG21 VAL 14 6.101 -9.091 16.696 117 HG22 VAL 14 HG22 VAL 14 5.466 -7.449 16.590 118 HG23 VAL 14 HG23 VAL 14 6.780 -7.957 15.529 119 H VAL 15 H VAL 15 8.552 -4.897 18.326 120 HA VAL 15 HA VAL 15 10.355 -5.598 20.292 121 HB VAL 15 HB VAL 15 9.717 -2.788 19.385 122 HG11 VAL 15 HG11 VAL 15 12.212 -2.514 19.928 123 HG12 VAL 15 HG12 VAL 15 11.071 -2.558 21.274 124 HG13 VAL 15 HG13 VAL 15 12.026 -3.988 20.877 125 HG21 VAL 15 HG21 VAL 15 12.049 -3.747 18.153 126 HG22 VAL 15 HG22 VAL 15 10.848 -5.028 17.991 127 HG23 VAL 15 HG23 VAL 15 10.493 -3.407 17.396 128 H ASP 16 H ASP 16 7.615 -3.351 20.550 129 HA ASP 16 HA ASP 16 8.001 -2.496 23.161 130 HB2 ASP 16 HB2 ASP 16 6.278 -1.682 21.462 131 HB3 ASP 16 HB3 ASP 16 5.279 -3.038 21.980 132 H ARG 17 H ARG 17 6.557 -5.462 21.954 133 HA ARG 17 HA ARG 17 5.618 -6.314 24.533 134 HB2 ARG 17 HB2 ARG 17 5.663 -7.433 21.783 135 HB3 ARG 17 HB3 ARG 17 5.582 -8.587 23.107 136 HG2 ARG 17 HG2 ARG 17 3.677 -6.281 22.794 137 HG3 ARG 17 HG3 ARG 17 3.377 -7.899 22.156 138 HD2 ARG 17 HD2 ARG 17 3.261 -8.844 24.295 139 HD3 ARG 17 HD3 ARG 17 4.045 -7.454 25.046 140 HE ARG 17 HE ARG 17 1.666 -6.561 23.914 141 HH11 ARG 17 HH11 ARG 17 2.708 -8.727 26.433 142 HH12 ARG 17 HH12 ARG 17 1.287 -8.498 27.397 143 HH21 ARG 17 HH21 ARG 17 -0.210 -6.251 25.175 144 HH22 ARG 17 HH22 ARG 17 -0.372 -7.091 26.681 145 H LEU 18 H LEU 18 8.446 -6.901 22.525 146 HA LEU 18 HA LEU 18 9.566 -9.082 23.790 147 HB2 LEU 18 HB2 LEU 18 10.560 -6.823 22.200 148 HB3 LEU 18 HB3 LEU 18 11.765 -7.573 23.245 149 HG LEU 18 HG LEU 18 11.798 -8.471 20.956 150 HD11 LEU 18 HD11 LEU 18 11.920 -9.859 23.330 151 HD12 LEU 18 HD12 LEU 18 12.448 -10.446 21.754 152 HD13 LEU 18 HD13 LEU 18 10.832 -10.835 22.343 153 HD21 LEU 18 HD21 LEU 18 9.510 -8.262 20.309 154 HD22 LEU 18 HD22 LEU 18 8.982 -9.312 21.625 155 HD23 LEU 18 HD23 LEU 18 9.918 -9.978 20.285 156 H ALA 19 H ALA 19 10.033 -5.646 24.603 157 HA ALA 19 HA ALA 19 11.728 -6.008 26.789 158 HB1 ALA 19 HB1 ALA 19 11.038 -3.847 25.563 159 HB2 ALA 19 HB2 ALA 19 9.702 -3.803 26.714 160 HB3 ALA 19 HB3 ALA 19 11.367 -3.769 27.294 161 H ARG 20 H ARG 20 8.200 -6.007 26.599 162 HA ARG 20 HA ARG 20 7.760 -6.146 29.402 163 HB2 ARG 20 HB2 ARG 20 6.103 -6.517 26.955 164 HB3 ARG 20 HB3 ARG 20 5.488 -7.174 28.466 165 HG2 ARG 20 HG2 ARG 20 6.451 -4.361 28.424 166 HG3 ARG 20 HG3 ARG 20 4.890 -4.741 27.694 167 HD2 ARG 20 HD2 ARG 20 4.192 -5.803 29.806 168 HD3 ARG 20 HD3 ARG 20 5.735 -5.345 30.525 169 HE ARG 20 HE ARG 20 4.462 -3.059 29.482 170 HH11 ARG 20 HH11 ARG 20 4.198 -5.351 32.089 171 HH12 ARG 20 HH12 ARG 20 3.427 -4.235 33.166 172 HH21 ARG 20 HH21 ARG 20 3.448 -1.580 30.891 173 HH22 ARG 20 HH22 ARG 20 3.001 -2.090 32.483 174 H TYR 21 H TYR 21 8.204 -8.544 26.874 175 HA TYR 21 HA TYR 21 8.355 -10.613 28.957 176 HB2 TYR 21 HB2 TYR 21 6.844 -10.731 26.354 177 HB3 TYR 21 HB3 TYR 21 7.369 -12.191 27.185 178 HD1 TYR 21 HD1 TYR 21 5.230 -9.189 27.478 179 HD2 TYR 21 HD2 TYR 21 6.200 -13.007 29.084 180 HE1 TYR 21 HE1 TYR 21 3.214 -9.102 28.885 181 HE2 TYR 21 HE2 TYR 21 4.187 -12.932 30.494 182 HH TYR 21 HH TYR 21 2.634 -11.394 31.404 183 HA PRO 22 HA PRO 22 12.163 -10.536 26.304 184 HB2 PRO 22 HB2 PRO 22 13.895 -10.709 28.387 185 HB3 PRO 22 HB3 PRO 22 13.256 -9.171 27.794 186 HG2 PRO 22 HG2 PRO 22 12.378 -10.809 30.141 187 HG3 PRO 22 HG3 PRO 22 12.596 -9.053 30.021 188 HD2 PRO 22 HD2 PRO 22 10.163 -10.233 29.869 189 HD3 PRO 22 HD3 PRO 22 10.559 -8.745 28.986 190 H GLY 23 H GLY 23 11.289 -12.668 25.687 191 HA2 GLY 23 HA2 GLY 23 12.666 -14.789 25.562 192 HA3 GLY 23 HA3 GLY 23 12.433 -14.859 27.302 193 H TYR 24 H TYR 24 9.998 -13.860 24.967 194 HA TYR 24 HA TYR 24 8.237 -15.949 25.964 195 HB2 TYR 24 HB2 TYR 24 7.700 -13.394 25.448 196 HB3 TYR 24 HB3 TYR 24 7.369 -14.041 23.845 197 HD1 TYR 24 HD1 TYR 24 5.101 -14.241 23.500 198 HD2 TYR 24 HD2 TYR 24 6.685 -15.271 27.312 199 HE1 TYR 24 HE1 TYR 24 2.859 -14.934 24.238 200 HE2 TYR 24 HE2 TYR 24 4.448 -15.967 28.060 201 HH TYR 24 HH TYR 24 1.666 -15.885 25.860 202 H GLU 25 H GLU 25 7.565 -17.687 24.836 203 HA GLU 25 HA GLU 25 9.035 -18.573 22.605 204 HB2 GLU 25 HB2 GLU 25 6.452 -19.534 23.831 205 HB3 GLU 25 HB3 GLU 25 7.217 -20.346 22.472 206 HG2 GLU 25 HG2 GLU 25 9.156 -20.846 23.778 207 HG3 GLU 25 HG3 GLU 25 8.565 -19.865 25.117 208 H VAL 26 H VAL 26 5.863 -17.059 22.900 209 HA VAL 26 HA VAL 26 5.124 -17.374 20.173 210 HB VAL 26 HB VAL 26 4.128 -15.262 22.087 211 HG11 VAL 26 HG11 VAL 26 2.648 -14.707 20.519 212 HG12 VAL 26 HG12 VAL 26 3.601 -15.673 19.391 213 HG13 VAL 26 HG13 VAL 26 2.223 -16.393 20.225 214 HG21 VAL 26 HG21 VAL 26 3.784 -17.259 23.256 215 HG22 VAL 26 HG22 VAL 26 2.251 -16.975 22.430 216 HG23 VAL 26 HG23 VAL 26 3.393 -18.157 21.789 217 H LEU 27 H LEU 27 6.872 -14.913 21.963 218 HA LEU 27 HA LEU 27 6.832 -12.929 19.934 219 HB2 LEU 27 HB2 LEU 27 8.586 -13.401 22.326 220 HB3 LEU 27 HB3 LEU 27 8.854 -12.053 21.223 221 HG LEU 27 HG LEU 27 6.385 -12.525 22.893 222 HD11 LEU 27 HD11 LEU 27 7.260 -11.193 24.454 223 HD12 LEU 27 HD12 LEU 27 7.908 -10.068 23.261 224 HD13 LEU 27 HD13 LEU 27 8.813 -11.522 23.684 225 HD21 LEU 27 HD21 LEU 27 6.807 -10.962 20.521 226 HD22 LEU 27 HD22 LEU 27 6.462 -9.908 21.892 227 HD23 LEU 27 HD23 LEU 27 5.333 -11.193 21.462 228 H LEU 28 H LEU 28 9.346 -15.245 20.941 229 HA LEU 28 HA LEU 28 11.165 -14.581 18.889 230 HB2 LEU 28 HB2 LEU 28 12.208 -16.781 19.441 231 HB3 LEU 28 HB3 LEU 28 11.984 -15.697 20.813 232 HG LEU 28 HG LEU 28 9.742 -17.151 21.035 233 HD11 LEU 28 HD11 LEU 28 11.354 -18.589 19.149 234 HD12 LEU 28 HD12 LEU 28 9.741 -18.962 19.757 235 HD13 LEU 28 HD13 LEU 28 11.165 -19.531 20.629 236 HD21 LEU 28 HD21 LEU 28 11.032 -18.567 22.656 237 HD22 LEU 28 HD22 LEU 28 11.245 -16.827 22.849 238 HD23 LEU 28 HD23 LEU 28 12.499 -17.788 22.064 239 H SER 29 H SER 29 8.498 -16.848 19.072 240 HA SER 29 HA SER 29 9.137 -18.216 16.643 241 HB2 SER 29 HB2 SER 29 7.746 -19.172 18.515 242 HB3 SER 29 HB3 SER 29 6.448 -18.085 18.021 243 HG SER 29 HG SER 29 5.960 -19.499 16.562 244 H ALA 30 H ALA 30 6.877 -15.638 17.537 245 HA ALA 30 HA ALA 30 5.734 -15.372 14.948 246 HB1 ALA 30 HB1 ALA 30 4.473 -14.590 16.802 247 HB2 ALA 30 HB2 ALA 30 5.784 -13.534 17.332 248 HB3 ALA 30 HB3 ALA 30 4.908 -13.174 15.844 249 H GLU 31 H GLU 31 8.188 -13.475 16.700 250 HA GLU 31 HA GLU 31 8.709 -11.559 14.775 251 HB2 GLU 31 HB2 GLU 31 10.769 -11.151 15.883 252 HB3 GLU 31 HB3 GLU 31 9.635 -11.669 17.122 253 HG2 GLU 31 HG2 GLU 31 10.594 -13.896 17.105 254 HG3 GLU 31 HG3 GLU 31 11.698 -13.427 15.814 255 H LYS 32 H LYS 32 9.775 -14.888 14.948 256 HA LYS 32 HA LYS 32 11.797 -14.750 12.979 257 HB2 LYS 32 HB2 LYS 32 10.183 -16.947 14.207 258 HB3 LYS 32 HB3 LYS 32 11.133 -17.295 12.769 259 HG2 LYS 32 HG2 LYS 32 13.157 -16.799 13.855 260 HG3 LYS 32 HG3 LYS 32 12.332 -16.013 15.203 261 HD2 LYS 32 HD2 LYS 32 11.403 -18.154 15.902 262 HD3 LYS 32 HD3 LYS 32 12.173 -18.951 14.528 263 HE2 LYS 32 HE2 LYS 32 14.362 -17.969 15.504 264 HE3 LYS 32 HE3 LYS 32 13.424 -17.778 16.984 265 HZ1 LYS 32 HZ1 LYS 32 14.246 -19.855 17.306 266 HZ2 LYS 32 HZ2 LYS 32 14.325 -20.222 15.657 267 HZ3 LYS 32 HZ3 LYS 32 12.839 -20.274 16.464 268 H GLN 33 H GLN 33 8.324 -15.112 12.813 269 HA GLN 33 HA GLN 33 8.089 -16.051 10.184 270 HB2 GLN 33 HB2 GLN 33 6.296 -15.725 12.056 271 HB3 GLN 33 HB3 GLN 33 6.106 -14.127 11.346 272 HG2 GLN 33 HG2 GLN 33 5.995 -15.720 9.144 273 HG3 GLN 33 HG3 GLN 33 5.239 -16.741 10.366 274 HE21 GLN 33 HE21 GLN 33 5.222 -13.252 9.715 275 HE22 GLN 33 HE22 GLN 33 3.502 -13.098 9.663 276 H LEU 34 H LEU 34 7.731 -12.698 11.355 277 HA LEU 34 HA LEU 34 7.541 -11.445 8.900 278 HB2 LEU 34 HB2 LEU 34 7.861 -9.460 10.009 279 HB3 LEU 34 HB3 LEU 34 7.350 -10.523 11.318 280 HG LEU 34 HG LEU 34 9.988 -10.813 11.574 281 HD11 LEU 34 HD11 LEU 34 10.133 -9.122 9.572 282 HD12 LEU 34 HD12 LEU 34 11.270 -9.035 10.917 283 HD13 LEU 34 HD13 LEU 34 9.899 -7.927 10.848 284 HD21 LEU 34 HD21 LEU 34 9.886 -8.975 13.258 285 HD22 LEU 34 HD22 LEU 34 8.563 -10.136 13.371 286 HD23 LEU 34 HD23 LEU 34 8.291 -8.558 12.630 287 H GLN 35 H GLN 35 10.365 -12.661 10.554 288 HA GLN 35 HA GLN 35 12.321 -11.307 9.022 289 HB2 GLN 35 HB2 GLN 35 12.506 -13.948 10.482 290 HB3 GLN 35 HB3 GLN 35 13.874 -13.025 9.874 291 HG2 GLN 35 HG2 GLN 35 12.014 -11.626 11.696 292 HG3 GLN 35 HG3 GLN 35 13.033 -12.884 12.393 293 HE21 GLN 35 HE21 GLN 35 12.845 -9.690 11.912 294 HE22 GLN 35 HE22 GLN 35 14.523 -9.282 11.855 295 H TYR 36 H TYR 36 10.526 -14.278 8.547 296 HA TYR 36 HA TYR 36 12.117 -15.196 6.350 297 HB2 TYR 36 HB2 TYR 36 10.981 -16.903 7.498 298 HB3 TYR 36 HB3 TYR 36 9.462 -16.013 7.504 299 HD1 TYR 36 HD1 TYR 36 11.845 -17.014 4.798 300 HD2 TYR 36 HD2 TYR 36 7.861 -17.138 6.289 301 HE1 TYR 36 HE1 TYR 36 11.133 -18.227 2.780 302 HE2 TYR 36 HE2 TYR 36 7.139 -18.352 4.275 303 HH TYR 36 HH TYR 36 9.464 -19.338 1.791 304 H ILE 37 H ILE 37 8.902 -13.698 6.631 305 HA ILE 37 HA ILE 37 8.328 -13.583 3.893 306 HB ILE 37 HB ILE 37 7.413 -11.713 6.081 307 HG12 ILE 37 HG12 ILE 37 5.364 -13.466 5.237 308 HG13 ILE 37 HG13 ILE 37 6.799 -14.457 5.475 309 HG21 ILE 37 HG21 ILE 37 6.797 -10.523 4.239 310 HG22 ILE 37 HG22 ILE 37 6.725 -11.949 3.205 311 HG23 ILE 37 HG23 ILE 37 5.416 -11.615 4.339 312 HD11 ILE 37 HD11 ILE 37 6.532 -12.637 7.657 313 HD12 ILE 37 HD12 ILE 37 5.016 -13.504 7.414 314 HD13 ILE 37 HD13 ILE 37 6.514 -14.400 7.662 315 H ARG 38 H ARG 38 10.099 -11.376 5.990 316 HA ARG 38 HA ARG 38 10.370 -9.339 3.988 317 HB2 ARG 38 HB2 ARG 38 11.672 -8.158 5.573 318 HB3 ARG 38 HB3 ARG 38 10.421 -8.976 6.499 319 HG2 ARG 38 HG2 ARG 38 12.001 -10.706 7.144 320 HG3 ARG 38 HG3 ARG 38 13.258 -9.931 6.177 321 HD2 ARG 38 HD2 ARG 38 12.507 -7.851 7.701 322 HD3 ARG 38 HD3 ARG 38 12.137 -9.175 8.805 323 HE ARG 38 HE ARG 38 14.385 -9.545 9.068 324 HH11 ARG 38 HH11 ARG 38 13.869 -7.463 6.325 325 HH12 ARG 38 HH12 ARG 38 15.551 -7.099 6.121 326 HH21 ARG 38 HH21 ARG 38 16.602 -9.072 8.809 327 HH22 ARG 38 HH22 ARG 38 17.104 -8.015 7.534 328 H SER 39 H SER 39 12.261 -12.071 5.096 329 HA SER 39 HA SER 39 14.660 -11.353 3.732 330 HB2 SER 39 HB2 SER 39 15.382 -13.650 4.232 331 HB3 SER 39 HB3 SER 39 14.670 -12.889 5.654 332 HG SER 39 HG SER 39 13.959 -15.094 5.167 333 H VAL 40 H VAL 40 12.141 -13.782 3.053 334 HA VAL 40 HA VAL 40 13.118 -14.689 0.616 335 HB VAL 40 HB VAL 40 11.277 -15.789 1.800 336 HG11 VAL 40 HG11 VAL 40 9.363 -13.744 0.757 337 HG12 VAL 40 HG12 VAL 40 9.160 -14.904 2.071 338 HG13 VAL 40 HG13 VAL 40 10.181 -13.483 2.297 339 HG21 VAL 40 HG21 VAL 40 9.813 -16.203 -0.187 340 HG22 VAL 40 HG22 VAL 40 10.677 -14.911 -1.020 341 HG23 VAL 40 HG23 VAL 40 11.540 -16.360 -0.505 342 H LEU 41 H LEU 41 11.219 -11.834 1.367 343 HA LEU 41 HA LEU 41 10.307 -11.097 -1.129 344 HB2 LEU 41 HB2 LEU 41 10.237 -9.973 1.309 345 HB3 LEU 41 HB3 LEU 41 11.435 -8.934 0.540 346 HG LEU 41 HG LEU 41 8.745 -9.429 -0.704 347 HD11 LEU 41 HD11 LEU 41 9.490 -7.534 1.490 348 HD12 LEU 41 HD12 LEU 41 8.067 -8.564 1.340 349 HD13 LEU 41 HD13 LEU 41 8.226 -7.127 0.330 350 HD21 LEU 41 HD21 LEU 41 10.039 -8.406 -2.292 351 HD22 LEU 41 HD22 LEU 41 11.024 -7.554 -1.102 352 HD23 LEU 41 HD23 LEU 41 9.390 -6.992 -1.459 353 H LEU 42 H LEU 42 13.530 -10.768 0.232 354 HA LEU 42 HA LEU 42 14.460 -9.453 -2.216 355 HB2 LEU 42 HB2 LEU 42 15.596 -9.775 0.534 356 HB3 LEU 42 HB3 LEU 42 16.643 -9.368 -0.823 357 HG LEU 42 HG LEU 42 16.052 -7.367 0.388 358 HD11 LEU 42 HD11 LEU 42 14.330 -7.112 -2.014 359 HD12 LEU 42 HD12 LEU 42 16.010 -7.589 -2.252 360 HD13 LEU 42 HD13 LEU 42 15.632 -6.073 -1.434 361 HD21 LEU 42 HD21 LEU 42 13.945 -8.218 1.358 362 HD22 LEU 42 HD22 LEU 42 13.175 -8.039 -0.219 363 HD23 LEU 42 HD23 LEU 42 13.772 -6.617 0.638 364 H ASP 43 H ASP 43 14.872 -12.364 -0.291 365 HA ASP 43 HA ASP 43 17.013 -13.423 -1.860 366 HB2 ASP 43 HB2 ASP 43 15.147 -14.637 0.175 367 HB3 ASP 43 HB3 ASP 43 16.371 -15.586 -0.663 368 H ARG 44 H ARG 44 16.937 -14.505 -3.721 369 HA ARG 44 HA ARG 44 14.298 -15.368 -4.707 370 HB2 ARG 44 HB2 ARG 44 15.414 -15.157 -6.998 371 HB3 ARG 44 HB3 ARG 44 15.032 -13.663 -6.152 372 HG2 ARG 44 HG2 ARG 44 17.731 -14.797 -5.727 373 HG3 ARG 44 HG3 ARG 44 17.382 -14.102 -7.311 374 HD2 ARG 44 HD2 ARG 44 17.136 -11.984 -6.479 375 HD3 ARG 44 HD3 ARG 44 16.608 -12.552 -4.896 376 HE ARG 44 HE ARG 44 18.783 -12.506 -4.209 377 HH11 ARG 44 HH11 ARG 44 18.709 -12.526 -7.689 378 HH12 ARG 44 HH12 ARG 44 20.418 -12.297 -7.857 379 HH21 ARG 44 HH21 ARG 44 21.034 -12.205 -4.417 380 HH22 ARG 44 HH22 ARG 44 21.740 -12.116 -5.995 381 H SER 45 H SER 45 15.901 -17.001 -3.032 382 HA SER 45 HA SER 45 16.684 -19.121 -4.924 383 HB2 SER 45 HB2 SER 45 17.806 -18.939 -2.141 384 HB3 SER 45 HB3 SER 45 18.466 -19.770 -3.550 385 HG SER 45 HG SER 45 19.581 -18.027 -3.858 386 H LEU 46 H LEU 46 15.468 -18.498 -1.641 387 HA LEU 46 HA LEU 46 14.688 -21.090 -1.002 388 HB2 LEU 46 HB2 LEU 46 13.532 -18.435 -0.184 389 HB3 LEU 46 HB3 LEU 46 13.026 -19.970 0.519 390 HG LEU 46 HG LEU 46 15.876 -19.008 0.612 391 HD11 LEU 46 HD11 LEU 46 14.802 -17.301 1.769 392 HD12 LEU 46 HD12 LEU 46 15.224 -18.451 3.037 393 HD13 LEU 46 HD13 LEU 46 13.573 -18.384 2.423 394 HD21 LEU 46 HD21 LEU 46 15.517 -20.537 2.779 395 HD22 LEU 46 HD22 LEU 46 16.025 -21.183 1.218 396 HD23 LEU 46 HD23 LEU 46 14.332 -21.279 1.705 397 H ASP 47 H ASP 47 12.458 -21.930 -0.815 398 HA ASP 47 HA ASP 47 11.141 -21.802 -3.353 399 HB2 ASP 47 HB2 ASP 47 10.377 -23.211 -0.787 400 HB3 ASP 47 HB3 ASP 47 9.553 -23.422 -2.330 401 H ARG 48 H ARG 48 9.475 -20.576 -3.954 402 HA ARG 48 HA ARG 48 8.485 -18.531 -2.240 403 HB2 ARG 48 HB2 ARG 48 7.742 -19.454 -5.009 404 HB3 ARG 48 HB3 ARG 48 6.865 -18.165 -4.195 405 HG2 ARG 48 HG2 ARG 48 8.956 -16.892 -3.994 406 HG3 ARG 48 HG3 ARG 48 9.800 -18.174 -4.864 407 HD2 ARG 48 HD2 ARG 48 7.379 -16.959 -6.100 408 HD3 ARG 48 HD3 ARG 48 8.883 -16.040 -6.111 409 HE ARG 48 HE ARG 48 8.246 -18.262 -7.750 410 HH11 ARG 48 HH11 ARG 48 10.880 -16.777 -6.026 411 HH12 ARG 48 HH12 ARG 48 12.100 -17.416 -7.077 412 HH21 ARG 48 HH21 ARG 48 9.843 -19.109 -9.142 413 HH22 ARG 48 HH22 ARG 48 11.509 -18.741 -8.850 414 H SER 49 H SER 49 7.229 -21.621 -3.366 415 HA SER 49 HA SER 49 4.578 -21.423 -2.633 416 HB2 SER 49 HB2 SER 49 5.230 -23.377 -3.795 417 HB3 SER 49 HB3 SER 49 6.477 -23.765 -2.610 418 HG SER 49 HG SER 49 5.026 -24.879 -1.601 419 H ALA 50 H ALA 50 7.393 -21.969 -0.613 420 HA ALA 50 HA ALA 50 6.239 -22.847 1.734 421 HB1 ALA 50 HB1 ALA 50 8.652 -21.203 1.130 422 HB2 ALA 50 HB2 ALA 50 8.151 -21.419 2.808 423 HB3 ALA 50 HB3 ALA 50 8.535 -22.824 1.814 424 H LEU 51 H LEU 51 6.319 -19.605 0.388 425 HA LEU 51 HA LEU 51 5.600 -18.074 2.563 426 HB2 LEU 51 HB2 LEU 51 4.891 -17.860 -0.344 427 HB3 LEU 51 HB3 LEU 51 4.344 -16.664 0.830 428 HG LEU 51 HG LEU 51 7.258 -17.307 0.524 429 HD11 LEU 51 HD11 LEU 51 7.508 -15.620 -1.129 430 HD12 LEU 51 HD12 LEU 51 5.808 -15.166 -1.016 431 HD13 LEU 51 HD13 LEU 51 6.259 -16.726 -1.702 432 HD21 LEU 51 HD21 LEU 51 5.603 -15.341 1.931 433 HD22 LEU 51 HD22 LEU 51 6.983 -14.654 1.075 434 HD23 LEU 51 HD23 LEU 51 7.233 -15.916 2.282 435 H HIS 52 H HIS 52 3.595 -20.167 0.581 436 HA HIS 52 HA HIS 52 1.166 -19.336 1.938 437 HB2 HIS 52 HB2 HIS 52 1.155 -19.868 -0.489 438 HB3 HIS 52 HB3 HIS 52 1.573 -21.534 -0.101 439 HD1 HIS 52 HD1 HIS 52 -0.641 -22.362 -1.176 440 HD2 HIS 52 HD2 HIS 52 -1.156 -19.822 2.071 441 HE1 HIS 52 HE1 HIS 52 -3.062 -22.575 -0.533 442 H ARG 53 H ARG 53 3.402 -22.041 1.900 443 HA ARG 53 HA ARG 53 1.914 -23.916 3.323 444 HB2 ARG 53 HB2 ARG 53 4.897 -23.425 3.344 445 HB3 ARG 53 HB3 ARG 53 4.118 -24.858 4.002 446 HG2 ARG 53 HG2 ARG 53 3.738 -24.044 1.144 447 HG3 ARG 53 HG3 ARG 53 5.124 -25.006 1.662 448 HD2 ARG 53 HD2 ARG 53 3.699 -26.753 2.458 449 HD3 ARG 53 HD3 ARG 53 2.261 -25.762 2.214 450 HE ARG 53 HE ARG 53 3.695 -26.137 -0.214 451 HH11 ARG 53 HH11 ARG 53 1.504 -27.699 1.995 452 HH12 ARG 53 HH12 ARG 53 0.819 -28.735 0.788 453 HH21 ARG 53 HH21 ARG 53 2.801 -27.496 -1.813 454 HH22 ARG 53 HH22 ARG 53 1.558 -28.620 -1.378 455 H LEU 54 H LEU 54 4.027 -21.327 4.505 456 HA LEU 54 HA LEU 54 4.025 -21.883 7.205 457 HB2 LEU 54 HB2 LEU 54 4.719 -19.700 7.560 458 HB3 LEU 54 HB3 LEU 54 5.216 -20.025 5.900 459 HG LEU 54 HG LEU 54 2.861 -18.891 5.392 460 HD11 LEU 54 HD11 LEU 54 3.253 -16.868 7.265 461 HD12 LEU 54 HD12 LEU 54 3.314 -18.368 8.189 462 HD13 LEU 54 HD13 LEU 54 1.907 -18.006 7.190 463 HD21 LEU 54 HD21 LEU 54 4.107 -16.727 5.195 464 HD22 LEU 54 HD22 LEU 54 4.896 -18.108 4.434 465 HD23 LEU 54 HD23 LEU 54 5.470 -17.512 5.992 466 H THR 55 H THR 55 2.603 -21.734 8.839 467 HA THR 55 HA THR 55 0.047 -20.365 8.357 468 HB THR 55 HB THR 55 0.283 -23.069 9.689 469 HG1 THR 55 HG1 THR 55 0.092 -23.858 7.743 470 HG21 THR 55 HG21 THR 55 -1.564 -21.721 10.540 471 HG22 THR 55 HG22 THR 55 -2.174 -23.054 9.559 472 HG23 THR 55 HG23 THR 55 -2.121 -21.422 8.895 473 H LEU 56 H LEU 56 0.962 -18.668 9.650 474 HA LEU 56 HA LEU 56 1.025 -19.311 12.526 475 HB2 LEU 56 HB2 LEU 56 3.059 -18.237 11.026 476 HB3 LEU 56 HB3 LEU 56 2.304 -16.809 11.731 477 HG LEU 56 HG LEU 56 2.658 -17.731 13.973 478 HD11 LEU 56 HD11 LEU 56 2.689 -19.997 13.955 479 HD12 LEU 56 HD12 LEU 56 4.428 -19.718 13.874 480 HD13 LEU 56 HD13 LEU 56 3.525 -20.088 12.405 481 HD21 LEU 56 HD21 LEU 56 4.844 -17.074 14.114 482 HD22 LEU 56 HD22 LEU 56 4.435 -16.435 12.522 483 HD23 LEU 56 HD23 LEU 56 5.320 -17.954 12.661 484 H GLY 57 H GLY 57 0.780 -17.014 13.752 485 HA2 GLY 57 HA2 GLY 57 -0.477 -15.025 13.972 486 HA3 GLY 57 HA3 GLY 57 -1.369 -15.456 12.521 487 H SER 58 H SER 58 -1.874 -18.193 13.459 488 HA SER 58 HA SER 58 -4.381 -17.874 14.573 489 HB2 SER 58 HB2 SER 58 -2.719 -20.318 15.143 490 HB3 SER 58 HB3 SER 58 -4.451 -20.211 14.827 491 HG SER 58 HG SER 58 -3.919 -20.649 12.848 492 H ILE 59 H ILE 59 -1.275 -17.970 16.133 493 HA ILE 59 HA ILE 59 -2.348 -18.344 18.783 494 HB ILE 59 HB ILE 59 -0.054 -17.935 19.560 495 HG12 ILE 59 HG12 ILE 59 0.536 -17.452 16.631 496 HG13 ILE 59 HG13 ILE 59 0.604 -16.248 17.913 497 HG21 ILE 59 HG21 ILE 59 0.860 -19.944 18.777 498 HG22 ILE 59 HG22 ILE 59 -0.882 -20.160 18.619 499 HG23 ILE 59 HG23 ILE 59 0.091 -19.781 17.199 500 HD11 ILE 59 HD11 ILE 59 2.499 -18.419 17.242 501 HD12 ILE 59 HD12 ILE 59 2.805 -16.763 17.767 502 HD13 ILE 59 HD13 ILE 59 2.314 -17.984 18.941 503 H ALA 60 H ALA 60 -1.356 -15.665 16.759 504 HA ALA 60 HA ALA 60 -1.430 -13.719 18.871 505 HB1 ALA 60 HB1 ALA 60 0.030 -13.248 17.069 506 HB2 ALA 60 HB2 ALA 60 -1.249 -13.483 15.877 507 HB3 ALA 60 HB3 ALA 60 -1.292 -12.087 16.953 508 H VAL 61 H VAL 61 -3.628 -14.832 16.353 509 HA VAL 61 HA VAL 61 -5.579 -12.809 16.673 510 HB VAL 61 HB VAL 61 -5.457 -14.296 14.694 511 HG11 VAL 61 HG11 VAL 61 -6.468 -16.549 14.855 512 HG12 VAL 61 HG12 VAL 61 -4.968 -16.400 15.771 513 HG13 VAL 61 HG13 VAL 61 -6.520 -16.370 16.608 514 HG21 VAL 61 HG21 VAL 61 -7.846 -14.529 14.386 515 HG22 VAL 61 HG22 VAL 61 -8.110 -14.425 16.127 516 HG23 VAL 61 HG23 VAL 61 -7.502 -13.026 15.242 517 H LYS 62 H LYS 62 -4.826 -15.659 18.474 518 HA LYS 62 HA LYS 62 -7.371 -15.528 19.923 519 HB2 LYS 62 HB2 LYS 62 -6.506 -17.729 19.058 520 HB3 LYS 62 HB3 LYS 62 -5.178 -17.586 20.202 521 HG2 LYS 62 HG2 LYS 62 -6.748 -18.983 21.236 522 HG3 LYS 62 HG3 LYS 62 -6.944 -17.410 22.012 523 HD2 LYS 62 HD2 LYS 62 -8.864 -16.937 20.577 524 HD3 LYS 62 HD3 LYS 62 -8.661 -18.498 19.780 525 HE2 LYS 62 HE2 LYS 62 -10.307 -18.971 21.324 526 HE3 LYS 62 HE3 LYS 62 -8.851 -19.448 22.197 527 HZ1 LYS 62 HZ1 LYS 62 -10.420 -18.102 23.526 528 HZ2 LYS 62 HZ2 LYS 62 -10.164 -16.801 22.477 529 HZ3 LYS 62 HZ3 LYS 62 -8.884 -17.404 23.404 530 H GLU 63 H GLU 63 -3.884 -15.781 20.635 531 HA GLU 63 HA GLU 63 -4.197 -15.075 23.374 532 HB2 GLU 63 HB2 GLU 63 -1.692 -14.929 21.690 533 HB3 GLU 63 HB3 GLU 63 -1.776 -14.990 23.445 534 HG2 GLU 63 HG2 GLU 63 -2.744 -17.184 21.630 535 HG3 GLU 63 HG3 GLU 63 -1.146 -17.137 22.373 536 H PHE 64 H PHE 64 -2.943 -13.295 20.556 537 HA PHE 64 HA PHE 64 -3.016 -10.813 22.090 538 HB2 PHE 64 HB2 PHE 64 -1.935 -11.481 19.349 539 HB3 PHE 64 HB3 PHE 64 -1.953 -9.850 20.011 540 HD1 PHE 64 HD1 PHE 64 0.291 -12.087 19.232 541 HD2 PHE 64 HD2 PHE 64 -1.199 -10.302 22.797 542 HE1 PHE 64 HE1 PHE 64 2.442 -12.522 20.345 543 HE2 PHE 64 HE2 PHE 64 0.950 -10.733 23.915 544 HZ PHE 64 HZ PHE 64 2.774 -11.844 22.689 545 H ASP 65 H ASP 65 -5.502 -12.080 21.429 546 HA ASP 65 HA ASP 65 -6.694 -10.780 19.186 547 HB2 ASP 65 HB2 ASP 65 -7.417 -12.956 20.442 548 HB3 ASP 65 HB3 ASP 65 -8.287 -11.843 21.494 549 H GLU 66 H GLU 66 -7.159 -10.358 22.700 550 HA GLU 66 HA GLU 66 -8.177 -7.654 22.157 551 HB2 GLU 66 HB2 GLU 66 -8.672 -9.643 24.332 552 HB3 GLU 66 HB3 GLU 66 -8.847 -7.932 24.694 553 HG2 GLU 66 HG2 GLU 66 -10.255 -9.257 22.398 554 HG3 GLU 66 HG3 GLU 66 -10.941 -9.162 24.019 555 H THR 67 H THR 67 -5.897 -9.476 24.144 556 HA THR 67 HA THR 67 -4.904 -7.417 25.724 557 HB THR 67 HB THR 67 -2.775 -8.758 25.810 558 HG1 THR 67 HG1 THR 67 -2.468 -10.243 24.339 559 HG21 THR 67 HG21 THR 67 -4.670 -9.160 27.345 560 HG22 THR 67 HG22 THR 67 -3.765 -10.632 26.993 561 HG23 THR 67 HG23 THR 67 -5.316 -10.340 26.206 562 H ASP 68 H ASP 68 -3.409 -8.675 22.735 563 HA ASP 68 HA ASP 68 -2.239 -6.002 22.320 564 HB2 ASP 68 HB2 ASP 68 -0.775 -8.185 22.754 565 HB3 ASP 68 HB3 ASP 68 -1.029 -8.396 21.024 566 HA PRO 69 HA PRO 69 -5.163 -6.686 18.831 567 HB2 PRO 69 HB2 PRO 69 -5.912 -4.082 18.671 568 HB3 PRO 69 HB3 PRO 69 -6.661 -5.229 19.787 569 HG2 PRO 69 HG2 PRO 69 -4.537 -3.186 20.313 570 HG3 PRO 69 HG3 PRO 69 -5.957 -3.601 21.291 571 HD2 PRO 69 HD2 PRO 69 -3.473 -4.513 21.868 572 HD3 PRO 69 HD3 PRO 69 -4.940 -5.455 22.208 573 H GLU 70 H GLU 70 -2.662 -4.258 19.362 574 HA GLU 70 HA GLU 70 -2.426 -3.433 16.660 575 HB2 GLU 70 HB2 GLU 70 -0.909 -3.053 19.163 576 HB3 GLU 70 HB3 GLU 70 0.036 -2.923 17.687 577 HG2 GLU 70 HG2 GLU 70 -2.467 -1.360 18.277 578 HG3 GLU 70 HG3 GLU 70 -0.822 -0.760 18.480 579 H LEU 71 H LEU 71 -0.969 -6.008 18.543 580 HA LEU 71 HA LEU 71 0.995 -6.702 16.584 581 HB2 LEU 71 HB2 LEU 71 0.204 -7.576 19.219 582 HB3 LEU 71 HB3 LEU 71 0.508 -8.952 18.161 583 HG LEU 71 HG LEU 71 2.462 -8.230 19.539 584 HD11 LEU 71 HD11 LEU 71 4.073 -8.382 17.708 585 HD12 LEU 71 HD12 LEU 71 2.787 -8.056 16.547 586 HD13 LEU 71 HD13 LEU 71 2.754 -9.536 17.505 587 HD21 LEU 71 HD21 LEU 71 2.105 -5.830 19.483 588 HD22 LEU 71 HD22 LEU 71 2.353 -5.812 17.737 589 HD23 LEU 71 HD23 LEU 71 3.688 -6.227 18.814 590 H SER 72 H SER 72 -2.157 -8.041 17.524 591 HA SER 72 HA SER 72 -2.253 -10.243 15.867 592 HB2 SER 72 HB2 SER 72 -4.039 -10.053 17.367 593 HB3 SER 72 HB3 SER 72 -4.382 -8.388 16.897 594 HG SER 72 HG SER 72 -5.909 -9.884 16.048 595 H ARG 73 H ARG 73 -3.610 -7.031 15.103 596 HA ARG 73 HA ARG 73 -4.289 -7.517 12.467 597 HB2 ARG 73 HB2 ARG 73 -3.638 -5.086 14.046 598 HB3 ARG 73 HB3 ARG 73 -3.643 -4.923 12.295 599 HG2 ARG 73 HG2 ARG 73 -5.811 -4.415 12.704 600 HG3 ARG 73 HG3 ARG 73 -5.969 -6.168 12.565 601 HD2 ARG 73 HD2 ARG 73 -7.105 -5.781 14.523 602 HD3 ARG 73 HD3 ARG 73 -5.485 -6.111 15.135 603 HE ARG 73 HE ARG 73 -5.397 -3.967 15.909 604 HH11 ARG 73 HH11 ARG 73 -7.885 -4.178 13.484 605 HH12 ARG 73 HH12 ARG 73 -8.451 -2.560 13.737 606 HH21 ARG 73 HH21 ARG 73 -6.132 -1.836 16.252 607 HH22 ARG 73 HH22 ARG 73 -7.453 -1.228 15.312 608 H ALA 74 H ALA 74 -1.169 -6.705 13.850 609 HA ALA 74 HA ALA 74 0.143 -6.194 11.374 610 HB1 ALA 74 HB1 ALA 74 1.987 -5.759 12.615 611 HB2 ALA 74 HB2 ALA 74 0.794 -5.674 13.912 612 HB3 ALA 74 HB3 ALA 74 1.737 -7.145 13.676 613 H LEU 75 H LEU 75 -0.255 -9.046 13.414 614 HA LEU 75 HA LEU 75 1.516 -10.698 11.908 615 HB2 LEU 75 HB2 LEU 75 -0.444 -11.080 14.097 616 HB3 LEU 75 HB3 LEU 75 -0.024 -12.498 13.138 617 HG LEU 75 HG LEU 75 2.439 -11.668 13.704 618 HD11 LEU 75 HD11 LEU 75 2.537 -10.836 16.008 619 HD12 LEU 75 HD12 LEU 75 0.780 -10.683 16.020 620 HD13 LEU 75 HD13 LEU 75 1.744 -9.691 14.926 621 HD21 LEU 75 HD21 LEU 75 1.780 -13.035 16.019 622 HD22 LEU 75 HD22 LEU 75 2.282 -13.747 14.485 623 HD23 LEU 75 HD23 LEU 75 0.566 -13.558 14.851 624 H LYS 76 H LYS 76 -2.041 -10.722 12.207 625 HA LYS 76 HA LYS 76 -2.609 -12.572 10.243 626 HB2 LYS 76 HB2 LYS 76 -4.194 -10.097 10.960 627 HB3 LYS 76 HB3 LYS 76 -4.817 -11.470 10.054 628 HG2 LYS 76 HG2 LYS 76 -3.734 -11.674 12.852 629 HG3 LYS 76 HG3 LYS 76 -5.439 -11.427 12.470 630 HD2 LYS 76 HD2 LYS 76 -4.000 -13.686 11.167 631 HD3 LYS 76 HD3 LYS 76 -4.455 -13.843 12.866 632 HE2 LYS 76 HE2 LYS 76 -6.304 -14.716 11.800 633 HE3 LYS 76 HE3 LYS 76 -6.786 -13.037 12.034 634 HZ1 LYS 76 HZ1 LYS 76 -6.670 -12.598 9.833 635 HZ2 LYS 76 HZ2 LYS 76 -6.983 -14.256 9.709 636 HZ3 LYS 76 HZ3 LYS 76 -5.400 -13.681 9.550 637 H ASP 77 H ASP 77 -1.786 -9.182 9.906 638 HA ASP 77 HA ASP 77 -2.365 -9.155 7.069 639 HB2 ASP 77 HB2 ASP 77 -2.762 -7.121 8.330 640 HB3 ASP 77 HB3 ASP 77 -1.089 -7.096 8.880 641 H ALA 78 H ALA 78 0.386 -9.566 9.170 642 HA ALA 78 HA ALA 78 2.452 -9.077 7.337 643 HB1 ALA 78 HB1 ALA 78 3.454 -9.282 9.325 644 HB2 ALA 78 HB2 ALA 78 2.188 -10.334 9.959 645 HB3 ALA 78 HB3 ALA 78 3.484 -11.010 8.973 646 H TYR 79 H TYR 79 1.121 -12.227 8.368 647 HA TYR 79 HA TYR 79 2.477 -13.696 6.363 648 HB2 TYR 79 HB2 TYR 79 1.507 -15.552 7.289 649 HB3 TYR 79 HB3 TYR 79 1.277 -14.428 8.624 650 HD1 TYR 79 HD1 TYR 79 -0.337 -16.549 6.213 651 HD2 TYR 79 HD2 TYR 79 -0.965 -13.286 8.870 652 HE1 TYR 79 HE1 TYR 79 -2.762 -16.952 6.125 653 HE2 TYR 79 HE2 TYR 79 -3.392 -13.681 8.790 654 HH TYR 79 HH TYR 79 -4.988 -14.928 6.812 655 H TYR 80 H TYR 80 -0.620 -12.087 6.488 656 HA TYR 80 HA TYR 80 -1.967 -13.285 4.393 657 HB2 TYR 80 HB2 TYR 80 -3.110 -11.671 5.724 658 HB3 TYR 80 HB3 TYR 80 -1.943 -10.415 5.327 659 HD1 TYR 80 HD1 TYR 80 -4.793 -12.375 4.076 660 HD2 TYR 80 HD2 TYR 80 -2.096 -9.186 3.265 661 HE1 TYR 80 HE1 TYR 80 -6.223 -11.647 2.211 662 HE2 TYR 80 HE2 TYR 80 -3.518 -8.449 1.399 663 HH TYR 80 HH TYR 80 -6.675 -9.747 0.870 664 H VAL 81 H VAL 81 -0.038 -10.291 4.143 665 HA VAL 81 HA VAL 81 -0.044 -10.148 1.353 666 HB VAL 81 HB VAL 81 0.604 -8.235 2.678 667 HG11 VAL 81 HG11 VAL 81 2.726 -8.145 3.881 668 HG12 VAL 81 HG12 VAL 81 1.691 -9.424 4.517 669 HG13 VAL 81 HG13 VAL 81 3.044 -9.827 3.460 670 HG21 VAL 81 HG21 VAL 81 3.202 -8.487 1.472 671 HG22 VAL 81 HG22 VAL 81 1.962 -9.148 0.406 672 HG23 VAL 81 HG23 VAL 81 1.834 -7.486 0.984 673 H GLY 82 H GLY 82 2.085 -11.861 3.569 674 HA2 GLY 82 HA2 GLY 82 4.196 -12.492 1.886 675 HA3 GLY 82 HA3 GLY 82 3.630 -13.519 3.195 676 H ILE 83 H ILE 83 0.991 -13.919 2.037 677 HA ILE 83 HA ILE 83 1.643 -16.138 0.342 678 HB ILE 83 HB ILE 83 -1.060 -15.011 1.084 679 HG12 ILE 83 HG12 ILE 83 0.233 -17.485 2.211 680 HG13 ILE 83 HG13 ILE 83 0.514 -15.900 2.925 681 HG21 ILE 83 HG21 ILE 83 -0.267 -17.603 -0.230 682 HG22 ILE 83 HG22 ILE 83 -1.866 -17.283 0.439 683 HG23 ILE 83 HG23 ILE 83 -1.265 -16.318 -0.909 684 HD11 ILE 83 HD11 ILE 83 -2.296 -16.699 2.475 685 HD12 ILE 83 HD12 ILE 83 -1.407 -17.524 3.755 686 HD13 ILE 83 HD13 ILE 83 -1.573 -15.769 3.786 687 H ARG 84 H ARG 84 -0.345 -13.212 -0.128 688 HA ARG 84 HA ARG 84 -0.930 -13.531 -2.808 689 HB2 ARG 84 HB2 ARG 84 -0.689 -11.188 -0.991 690 HB3 ARG 84 HB3 ARG 84 -0.757 -10.867 -2.719 691 HG2 ARG 84 HG2 ARG 84 -2.965 -10.734 -1.753 692 HG3 ARG 84 HG3 ARG 84 -2.867 -12.108 -2.856 693 HD2 ARG 84 HD2 ARG 84 -2.262 -12.584 0.012 694 HD3 ARG 84 HD3 ARG 84 -3.944 -12.305 -0.437 695 HE ARG 84 HE ARG 84 -2.603 -14.276 -2.053 696 HH11 ARG 84 HH11 ARG 84 -4.439 -13.696 0.848 697 HH12 ARG 84 HH12 ARG 84 -5.015 -15.326 0.965 698 HH21 ARG 84 HH21 ARG 84 -3.354 -16.425 -1.909 699 HH22 ARG 84 HH22 ARG 84 -4.396 -16.878 -0.603 700 H THR 85 H THR 85 1.808 -11.716 -1.421 701 HA THR 85 HA THR 85 3.031 -10.995 -3.813 702 HB THR 85 HB THR 85 4.400 -11.629 -1.192 703 HG1 THR 85 HG1 THR 85 4.038 -9.485 -0.706 704 HG21 THR 85 HG21 THR 85 6.016 -9.854 -2.110 705 HG22 THR 85 HG22 THR 85 5.285 -10.194 -3.679 706 HG23 THR 85 HG23 THR 85 6.106 -11.478 -2.792 707 H GLY 86 H GLY 86 3.215 -13.991 -1.979 708 HA2 GLY 86 HA2 GLY 86 5.395 -15.113 -3.422 709 HA3 GLY 86 HA3 GLY 86 4.253 -15.996 -2.419 710 H ARG 87 H ARG 87 1.910 -15.150 -3.891 711 HA ARG 87 HA ARG 87 2.074 -17.094 -6.027 712 HB2 ARG 87 HB2 ARG 87 0.125 -16.932 -4.451 713 HB3 ARG 87 HB3 ARG 87 -0.290 -15.401 -5.209 714 HG2 ARG 87 HG2 ARG 87 -0.705 -16.478 -7.307 715 HG3 ARG 87 HG3 ARG 87 -0.099 -18.015 -6.686 716 HD2 ARG 87 HD2 ARG 87 -1.971 -18.387 -5.398 717 HD3 ARG 87 HD3 ARG 87 -2.358 -16.671 -5.280 718 HE ARG 87 HE ARG 87 -3.601 -16.862 -7.188 719 HH11 ARG 87 HH11 ARG 87 -1.486 -19.616 -6.935 720 HH12 ARG 87 HH12 ARG 87 -2.193 -20.447 -8.281 721 HH21 ARG 87 HH21 ARG 87 -4.541 -17.947 -8.961 722 HH22 ARG 87 HH22 ARG 87 -3.930 -19.497 -9.433 723 H GLY 88 H GLY 88 2.091 -13.652 -5.672 724 HA2 GLY 88 HA2 GLY 88 2.954 -12.276 -7.438 725 HA3 GLY 88 HA3 GLY 88 2.270 -13.405 -8.599 726 H LEU 89 H LEU 89 0.552 -12.171 -5.797 727 HA LEU 89 HA LEU 89 -1.398 -10.954 -7.614 728 HB2 LEU 89 HB2 LEU 89 -1.502 -12.146 -4.911 729 HB3 LEU 89 HB3 LEU 89 -2.579 -10.783 -5.209 730 HG LEU 89 HG LEU 89 -3.738 -12.883 -5.560 731 HD11 LEU 89 HD11 LEU 89 -4.893 -12.055 -7.281 732 HD12 LEU 89 HD12 LEU 89 -3.502 -12.117 -8.363 733 HD13 LEU 89 HD13 LEU 89 -3.711 -10.745 -7.275 734 HD21 LEU 89 HD21 LEU 89 -1.920 -14.344 -6.107 735 HD22 LEU 89 HD22 LEU 89 -1.558 -13.427 -7.569 736 HD23 LEU 89 HD23 LEU 89 -3.058 -14.349 -7.454 737 H LYS 90 H LYS 90 -2.541 -8.973 -6.614 738 HA LYS 90 HA LYS 90 -0.459 -7.023 -6.012 739 HB2 LYS 90 HB2 LYS 90 -2.399 -6.807 -7.769 740 HB3 LYS 90 HB3 LYS 90 -3.346 -6.313 -6.372 741 HG2 LYS 90 HG2 LYS 90 -2.614 -4.290 -7.146 742 HG3 LYS 90 HG3 LYS 90 -1.355 -4.671 -5.969 743 HD2 LYS 90 HD2 LYS 90 -0.990 -5.576 -8.781 744 HD3 LYS 90 HD3 LYS 90 -0.760 -3.866 -8.412 745 HE2 LYS 90 HE2 LYS 90 0.719 -4.781 -6.466 746 HE3 LYS 90 HE3 LYS 90 0.776 -6.242 -7.450 747 HZ1 LYS 90 HZ1 LYS 90 2.304 -3.938 -7.735 748 HZ2 LYS 90 HZ2 LYS 90 1.276 -4.000 -9.077 749 HZ3 LYS 90 HZ3 LYS 90 2.297 -5.305 -8.733 750 H VAL 91 H VAL 91 -0.689 -5.471 -4.307 751 HA VAL 91 HA VAL 91 -2.151 -6.555 -1.993 752 HB VAL 91 HB VAL 91 0.206 -4.666 -1.963 753 HG11 VAL 91 HG11 VAL 91 -0.290 -4.366 0.179 754 HG12 VAL 91 HG12 VAL 91 -1.681 -5.442 0.029 755 HG13 VAL 91 HG13 VAL 91 -0.099 -6.097 0.455 756 HG21 VAL 91 HG21 VAL 91 0.833 -6.861 -2.854 757 HG22 VAL 91 HG22 VAL 91 1.541 -6.582 -1.263 758 HG23 VAL 91 HG23 VAL 91 0.137 -7.636 -1.431 759 H ASP 92 H ASP 92 -3.577 -5.316 -0.890 760 HA ASP 92 HA ASP 92 -3.750 -2.459 -1.434 761 HB2 ASP 92 HB2 ASP 92 -5.208 -3.757 -3.097 762 HB3 ASP 92 HB3 ASP 92 -6.223 -4.158 -1.715 763 H LEU 93 H LEU 93 -2.947 -3.852 0.881 764 HA LEU 93 HA LEU 93 -5.216 -3.440 2.708 765 HB2 LEU 93 HB2 LEU 93 -2.801 -5.191 2.801 766 HB3 LEU 93 HB3 LEU 93 -3.556 -4.676 4.308 767 HG LEU 93 HG LEU 93 -4.288 -6.911 3.607 768 HD11 LEU 93 HD11 LEU 93 -6.695 -6.523 3.809 769 HD12 LEU 93 HD12 LEU 93 -6.446 -4.809 3.480 770 HD13 LEU 93 HD13 LEU 93 -5.779 -5.531 4.944 771 HD21 LEU 93 HD21 LEU 93 -5.475 -7.322 1.625 772 HD22 LEU 93 HD22 LEU 93 -4.096 -6.340 1.130 773 HD23 LEU 93 HD23 LEU 93 -5.690 -5.602 1.295 774 HA PRO 94 HA PRO 94 -3.316 0.016 4.632 775 HB2 PRO 94 HB2 PRO 94 -3.935 -0.370 7.247 776 HB3 PRO 94 HB3 PRO 94 -5.132 0.107 6.037 777 HG2 PRO 94 HG2 PRO 94 -4.558 -2.605 7.167 778 HG3 PRO 94 HG3 PRO 94 -6.122 -1.836 6.843 779 HD2 PRO 94 HD2 PRO 94 -5.027 -3.668 5.177 780 HD3 PRO 94 HD3 PRO 94 -6.044 -2.335 4.594 Start of MODEL 9 1 H MET 1 H MET 1 3.235 1.043 0.054 2 HA MET 1 HA MET 1 4.000 1.328 -2.774 3 HB2 MET 1 HB2 MET 1 5.420 2.358 -0.312 4 HB3 MET 1 HB3 MET 1 5.929 2.615 -1.976 5 HG2 MET 1 HG2 MET 1 3.496 3.626 -2.180 6 HG3 MET 1 HG3 MET 1 3.719 3.865 -0.449 7 HE1 MET 1 HE1 MET 1 3.512 6.527 -0.677 8 HE2 MET 1 HE2 MET 1 4.666 5.890 0.494 9 HE3 MET 1 HE3 MET 1 5.105 7.268 -0.516 10 H THR 2 H THR 2 5.368 0.209 0.326 11 HA THR 2 HA THR 2 6.574 -2.049 -1.120 12 HB THR 2 HB THR 2 8.336 -0.375 -0.737 13 HG1 THR 2 HG1 THR 2 8.520 -2.715 0.883 14 HG21 THR 2 HG21 THR 2 8.932 0.443 1.364 15 HG22 THR 2 HG22 THR 2 8.057 -0.830 2.214 16 HG23 THR 2 HG23 THR 2 7.170 0.466 1.413 17 HA PRO 3 HA PRO 3 4.750 -4.462 2.085 18 HB2 PRO 3 HB2 PRO 3 6.246 -6.711 1.809 19 HB3 PRO 3 HB3 PRO 3 4.984 -6.250 0.660 20 HG2 PRO 3 HG2 PRO 3 7.948 -5.877 0.469 21 HG3 PRO 3 HG3 PRO 3 6.804 -6.407 -0.778 22 HD2 PRO 3 HD2 PRO 3 7.747 -3.872 -0.648 23 HD3 PRO 3 HD3 PRO 3 6.118 -4.255 -1.240 24 H ILE 4 H ILE 4 8.296 -4.331 1.922 25 HA ILE 4 HA ILE 4 8.937 -5.314 4.419 26 HB ILE 4 HB ILE 4 10.582 -4.685 2.656 27 HG12 ILE 4 HG12 ILE 4 11.784 -3.212 4.813 28 HG13 ILE 4 HG13 ILE 4 10.827 -4.536 5.468 29 HG21 ILE 4 HG21 ILE 4 10.768 -1.919 3.653 30 HG22 ILE 4 HG22 ILE 4 11.012 -2.562 2.029 31 HG23 ILE 4 HG23 ILE 4 9.378 -2.275 2.628 32 HD11 ILE 4 HD11 ILE 4 13.362 -4.582 4.052 33 HD12 ILE 4 HD12 ILE 4 12.629 -5.786 5.113 34 HD13 ILE 4 HD13 ILE 4 12.186 -5.728 3.407 35 H GLU 5 H GLU 5 7.642 -2.186 3.547 36 HA GLU 5 HA GLU 5 8.154 -0.948 6.075 37 HB2 GLU 5 HB2 GLU 5 6.704 -0.241 3.588 38 HB3 GLU 5 HB3 GLU 5 6.173 0.564 5.058 39 HG2 GLU 5 HG2 GLU 5 8.368 1.454 5.433 40 HG3 GLU 5 HG3 GLU 5 9.018 0.527 4.082 41 H TYR 6 H TYR 6 5.333 -2.473 4.567 42 HA TYR 6 HA TYR 6 3.482 -1.944 6.599 43 HB2 TYR 6 HB2 TYR 6 3.635 -4.235 4.634 44 HB3 TYR 6 HB3 TYR 6 2.249 -3.926 5.674 45 HD1 TYR 6 HD1 TYR 6 2.859 -3.833 2.474 46 HD2 TYR 6 HD2 TYR 6 2.050 -0.987 5.533 47 HE1 TYR 6 HE1 TYR 6 1.947 -2.290 0.789 48 HE2 TYR 6 HE2 TYR 6 1.135 0.563 3.857 49 HH TYR 6 HH TYR 6 0.097 0.376 1.549 50 H ILE 7 H ILE 7 5.531 -4.805 6.071 51 HA ILE 7 HA ILE 7 4.692 -6.148 8.424 52 HB ILE 7 HB ILE 7 6.633 -7.614 8.068 53 HG12 ILE 7 HG12 ILE 7 7.763 -6.965 5.694 54 HG13 ILE 7 HG13 ILE 7 7.459 -5.356 6.340 55 HG21 ILE 7 HG21 ILE 7 5.397 -8.689 6.570 56 HG22 ILE 7 HG22 ILE 7 4.450 -7.219 6.353 57 HG23 ILE 7 HG23 ILE 7 5.839 -7.534 5.313 58 HD11 ILE 7 HD11 ILE 7 9.427 -7.360 7.127 59 HD12 ILE 7 HD12 ILE 7 9.444 -5.607 7.321 60 HD13 ILE 7 HD13 ILE 7 8.576 -6.614 8.479 61 H ASP 8 H ASP 8 7.293 -3.901 7.704 62 HA ASP 8 HA ASP 8 8.875 -4.227 9.965 63 HB2 ASP 8 HB2 ASP 8 9.702 -2.847 8.219 64 HB3 ASP 8 HB3 ASP 8 8.284 -1.803 8.272 65 H ARG 9 H ARG 9 5.909 -2.374 9.525 66 HA ARG 9 HA ARG 9 5.884 -0.891 11.859 67 HB2 ARG 9 HB2 ARG 9 4.216 -0.840 9.938 68 HB3 ARG 9 HB3 ARG 9 3.435 -2.217 10.704 69 HG2 ARG 9 HG2 ARG 9 2.208 -0.404 11.462 70 HG3 ARG 9 HG3 ARG 9 3.320 -0.727 12.793 71 HD2 ARG 9 HD2 ARG 9 4.843 1.013 11.751 72 HD3 ARG 9 HD3 ARG 9 3.482 1.443 10.716 73 HE ARG 9 HE ARG 9 2.860 1.445 13.525 74 HH11 ARG 9 HH11 ARG 9 4.101 3.306 10.857 75 HH12 ARG 9 HH12 ARG 9 3.713 4.835 11.574 76 HH21 ARG 9 HH21 ARG 9 2.345 3.452 14.479 77 HH22 ARG 9 HH22 ARG 9 2.715 4.917 13.634 78 H ALA 10 H ALA 10 5.080 -4.277 11.358 79 HA ALA 10 HA ALA 10 3.947 -4.749 13.909 80 HB1 ALA 10 HB1 ALA 10 3.884 -6.985 13.326 81 HB2 ALA 10 HB2 ALA 10 3.865 -6.188 11.752 82 HB3 ALA 10 HB3 ALA 10 5.363 -6.885 12.370 83 H LEU 11 H LEU 11 7.235 -5.094 12.634 84 HA LEU 11 HA LEU 11 8.453 -6.336 14.784 85 HB2 LEU 11 HB2 LEU 11 9.735 -6.088 12.849 86 HB3 LEU 11 HB3 LEU 11 9.434 -4.354 12.764 87 HG LEU 11 HG LEU 11 10.955 -5.313 15.113 88 HD11 LEU 11 HD11 LEU 11 11.916 -5.572 12.298 89 HD12 LEU 11 HD12 LEU 11 12.160 -6.649 13.672 90 HD13 LEU 11 HD13 LEU 11 13.045 -5.126 13.577 91 HD21 LEU 11 HD21 LEU 11 11.118 -3.093 15.217 92 HD22 LEU 11 HD22 LEU 11 10.558 -2.893 13.556 93 HD23 LEU 11 HD23 LEU 11 12.262 -3.216 13.880 94 H ALA 12 H ALA 12 7.603 -2.953 14.351 95 HA ALA 12 HA ALA 12 9.012 -1.954 16.597 96 HB1 ALA 12 HB1 ALA 12 8.340 0.007 15.799 97 HB2 ALA 12 HB2 ALA 12 7.490 -0.871 14.526 98 HB3 ALA 12 HB3 ALA 12 6.642 -0.425 16.007 99 H LEU 13 H LEU 13 5.834 -3.371 16.174 100 HA LEU 13 HA LEU 13 4.957 -2.679 18.836 101 HB2 LEU 13 HB2 LEU 13 3.783 -4.484 16.728 102 HB3 LEU 13 HB3 LEU 13 3.014 -4.135 18.276 103 HG LEU 13 HG LEU 13 3.665 -2.031 16.217 104 HD11 LEU 13 HD11 LEU 13 1.840 -2.558 15.074 105 HD12 LEU 13 HD12 LEU 13 0.864 -2.571 16.542 106 HD13 LEU 13 HD13 LEU 13 1.715 -4.031 16.037 107 HD21 LEU 13 HD21 LEU 13 2.741 -0.527 17.613 108 HD22 LEU 13 HD22 LEU 13 3.168 -1.707 18.854 109 HD23 LEU 13 HD23 LEU 13 1.528 -1.662 18.205 110 H VAL 14 H VAL 14 6.332 -5.459 17.198 111 HA VAL 14 HA VAL 14 5.907 -7.277 19.372 112 HB VAL 14 HB VAL 14 7.874 -7.558 17.099 113 HG11 VAL 14 HG11 VAL 14 8.451 -9.324 18.374 114 HG12 VAL 14 HG12 VAL 14 6.931 -9.308 19.271 115 HG13 VAL 14 HG13 VAL 14 7.005 -10.049 17.672 116 HG21 VAL 14 HG21 VAL 14 5.014 -7.486 17.037 117 HG22 VAL 14 HG22 VAL 14 6.149 -7.719 15.707 118 HG23 VAL 14 HG23 VAL 14 5.572 -9.108 16.627 119 H VAL 15 H VAL 15 8.728 -5.521 18.106 120 HA VAL 15 HA VAL 15 10.674 -6.446 19.828 121 HB VAL 15 HB VAL 15 11.104 -4.930 17.918 122 HG11 VAL 15 HG11 VAL 15 10.622 -2.509 19.522 123 HG12 VAL 15 HG12 VAL 15 10.388 -2.796 17.797 124 HG13 VAL 15 HG13 VAL 15 9.176 -3.345 18.956 125 HG21 VAL 15 HG21 VAL 15 12.837 -3.531 19.086 126 HG22 VAL 15 HG22 VAL 15 12.191 -4.133 20.612 127 HG23 VAL 15 HG23 VAL 15 12.895 -5.256 19.449 128 H ASP 16 H ASP 16 8.142 -4.100 20.419 129 HA ASP 16 HA ASP 16 9.197 -3.139 22.891 130 HB2 ASP 16 HB2 ASP 16 7.400 -2.095 21.282 131 HB3 ASP 16 HB3 ASP 16 6.273 -3.042 22.250 132 H ARG 17 H ARG 17 6.985 -5.706 21.962 133 HA ARG 17 HA ARG 17 6.171 -6.307 24.643 134 HB2 ARG 17 HB2 ARG 17 5.606 -7.308 21.950 135 HB3 ARG 17 HB3 ARG 17 5.651 -8.575 23.169 136 HG2 ARG 17 HG2 ARG 17 4.069 -6.096 23.671 137 HG3 ARG 17 HG3 ARG 17 3.420 -7.364 22.628 138 HD2 ARG 17 HD2 ARG 17 3.219 -8.863 24.344 139 HD3 ARG 17 HD3 ARG 17 4.547 -8.154 25.262 140 HE ARG 17 HE ARG 17 2.671 -6.227 25.366 141 HH11 ARG 17 HH11 ARG 17 2.577 -9.645 26.019 142 HH12 ARG 17 HH12 ARG 17 1.332 -9.514 27.216 143 HH21 ARG 17 HH21 ARG 17 1.031 -6.042 26.940 144 HH22 ARG 17 HH22 ARG 17 0.452 -7.465 27.738 145 H LEU 18 H LEU 18 8.591 -7.538 22.401 146 HA LEU 18 HA LEU 18 9.358 -9.866 23.664 147 HB2 LEU 18 HB2 LEU 18 10.645 -7.913 21.883 148 HB3 LEU 18 HB3 LEU 18 11.753 -8.905 22.828 149 HG LEU 18 HG LEU 18 11.260 -9.763 20.533 150 HD11 LEU 18 HD11 LEU 18 11.252 -12.012 21.189 151 HD12 LEU 18 HD12 LEU 18 10.302 -11.678 22.636 152 HD13 LEU 18 HD13 LEU 18 11.982 -11.151 22.544 153 HD21 LEU 18 HD21 LEU 18 8.922 -9.158 20.378 154 HD22 LEU 18 HD22 LEU 18 8.527 -10.230 21.721 155 HD23 LEU 18 HD23 LEU 18 9.103 -10.903 20.195 156 H ALA 19 H ALA 19 10.606 -6.584 24.253 157 HA ALA 19 HA ALA 19 12.428 -7.211 26.260 158 HB1 ALA 19 HB1 ALA 19 10.806 -4.677 26.147 159 HB2 ALA 19 HB2 ALA 19 12.416 -4.902 26.831 160 HB3 ALA 19 HB3 ALA 19 12.177 -5.007 25.087 161 H ARG 20 H ARG 20 8.953 -6.710 26.418 162 HA ARG 20 HA ARG 20 8.802 -6.634 29.264 163 HB2 ARG 20 HB2 ARG 20 6.720 -7.149 27.138 164 HB3 ARG 20 HB3 ARG 20 6.349 -7.052 28.854 165 HG2 ARG 20 HG2 ARG 20 7.615 -4.742 28.629 166 HG3 ARG 20 HG3 ARG 20 7.103 -4.910 26.948 167 HD2 ARG 20 HD2 ARG 20 5.318 -3.779 27.868 168 HD3 ARG 20 HD3 ARG 20 4.783 -5.454 27.998 169 HE ARG 20 HE ARG 20 4.817 -5.235 30.268 170 HH11 ARG 20 HH11 ARG 20 6.774 -2.716 28.873 171 HH12 ARG 20 HH12 ARG 20 7.049 -1.913 30.384 172 HH21 ARG 20 HH21 ARG 20 5.172 -4.187 32.263 173 HH22 ARG 20 HH22 ARG 20 6.138 -2.752 32.312 174 H TYR 21 H TYR 21 8.588 -9.166 26.838 175 HA TYR 21 HA TYR 21 8.643 -11.152 29.005 176 HB2 TYR 21 HB2 TYR 21 7.018 -11.382 26.463 177 HB3 TYR 21 HB3 TYR 21 7.155 -12.614 27.714 178 HD1 TYR 21 HD1 TYR 21 5.880 -9.210 27.005 179 HD2 TYR 21 HD2 TYR 21 5.792 -12.543 29.648 180 HE1 TYR 21 HE1 TYR 21 3.957 -8.222 28.176 181 HE2 TYR 21 HE2 TYR 21 3.867 -11.565 30.826 182 HH TYR 21 HH TYR 21 3.034 -8.712 30.934 183 HA PRO 22 HA PRO 22 12.105 -11.758 25.954 184 HB2 PRO 22 HB2 PRO 22 14.043 -12.003 27.840 185 HB3 PRO 22 HB3 PRO 22 13.536 -10.443 27.181 186 HG2 PRO 22 HG2 PRO 22 12.750 -11.760 29.752 187 HG3 PRO 22 HG3 PRO 22 13.172 -10.065 29.447 188 HD2 PRO 22 HD2 PRO 22 10.609 -10.911 29.675 189 HD3 PRO 22 HD3 PRO 22 11.080 -9.563 28.619 190 H GLY 23 H GLY 23 10.795 -13.787 25.728 191 HA2 GLY 23 HA2 GLY 23 12.063 -16.079 25.740 192 HA3 GLY 23 HA3 GLY 23 11.692 -15.978 27.455 193 H TYR 24 H TYR 24 9.711 -15.040 24.666 194 HA TYR 24 HA TYR 24 7.652 -16.909 25.632 195 HB2 TYR 24 HB2 TYR 24 7.424 -14.219 25.236 196 HB3 TYR 24 HB3 TYR 24 6.851 -14.841 23.692 197 HD1 TYR 24 HD1 TYR 24 4.552 -14.852 23.594 198 HD2 TYR 24 HD2 TYR 24 6.442 -15.929 27.250 199 HE1 TYR 24 HE1 TYR 24 2.350 -15.308 24.590 200 HE2 TYR 24 HE2 TYR 24 4.246 -16.390 28.257 201 HH TYR 24 HH TYR 24 1.673 -15.389 27.594 202 H GLU 25 H GLU 25 7.347 -18.669 24.455 203 HA GLU 25 HA GLU 25 8.629 -19.298 22.095 204 HB2 GLU 25 HB2 GLU 25 6.002 -20.342 23.162 205 HB3 GLU 25 HB3 GLU 25 6.882 -21.072 21.827 206 HG2 GLU 25 HG2 GLU 25 7.806 -20.818 24.677 207 HG3 GLU 25 HG3 GLU 25 7.332 -22.293 23.838 208 H VAL 26 H VAL 26 5.549 -17.681 22.577 209 HA VAL 26 HA VAL 26 4.771 -17.755 19.825 210 HB VAL 26 HB VAL 26 3.782 -15.885 21.980 211 HG11 VAL 26 HG11 VAL 26 2.486 -16.806 19.417 212 HG12 VAL 26 HG12 VAL 26 1.789 -15.700 20.602 213 HG13 VAL 26 HG13 VAL 26 3.217 -15.224 19.682 214 HG21 VAL 26 HG21 VAL 26 1.858 -17.773 21.741 215 HG22 VAL 26 HG22 VAL 26 3.307 -18.748 21.494 216 HG23 VAL 26 HG23 VAL 26 3.123 -17.799 22.970 217 H LEU 27 H LEU 27 6.494 -15.485 21.880 218 HA LEU 27 HA LEU 27 6.477 -13.319 20.039 219 HB2 LEU 27 HB2 LEU 27 8.152 -13.983 22.440 220 HB3 LEU 27 HB3 LEU 27 8.450 -12.544 21.467 221 HG LEU 27 HG LEU 27 5.848 -13.137 22.872 222 HD11 LEU 27 HD11 LEU 27 6.736 -12.389 24.758 223 HD12 LEU 27 HD12 LEU 27 7.240 -10.903 23.953 224 HD13 LEU 27 HD13 LEU 27 8.314 -12.302 23.974 225 HD21 LEU 27 HD21 LEU 27 5.037 -11.246 21.981 226 HD22 LEU 27 HD22 LEU 27 6.299 -11.469 20.770 227 HD23 LEU 27 HD23 LEU 27 6.572 -10.393 22.141 228 H LEU 28 H LEU 28 8.989 -15.687 20.921 229 HA LEU 28 HA LEU 28 10.881 -14.828 19.023 230 HB2 LEU 28 HB2 LEU 28 11.929 -17.040 19.385 231 HB3 LEU 28 HB3 LEU 28 11.569 -16.170 20.875 232 HG LEU 28 HG LEU 28 9.381 -17.663 20.787 233 HD11 LEU 28 HD11 LEU 28 11.001 -19.865 19.893 234 HD12 LEU 28 HD12 LEU 28 10.811 -18.670 18.610 235 HD13 LEU 28 HD13 LEU 28 9.387 -19.374 19.376 236 HD21 LEU 28 HD21 LEU 28 10.627 -19.356 22.150 237 HD22 LEU 28 HD22 LEU 28 10.865 -17.681 22.650 238 HD23 LEU 28 HD23 LEU 28 12.115 -18.512 21.723 239 H SER 29 H SER 29 8.230 -17.124 18.849 240 HA SER 29 HA SER 29 8.949 -18.251 16.341 241 HB2 SER 29 HB2 SER 29 6.393 -18.190 17.934 242 HB3 SER 29 HB3 SER 29 6.464 -18.930 16.335 243 HG SER 29 HG SER 29 8.290 -20.172 17.234 244 H ALA 30 H ALA 30 6.541 -15.795 17.261 245 HA ALA 30 HA ALA 30 5.687 -15.209 14.644 246 HB1 ALA 30 HB1 ALA 30 5.572 -13.654 17.212 247 HB2 ALA 30 HB2 ALA 30 4.901 -13.036 15.701 248 HB3 ALA 30 HB3 ALA 30 4.275 -14.531 16.398 249 H GLU 31 H GLU 31 7.948 -13.434 16.758 250 HA GLU 31 HA GLU 31 8.690 -11.439 15.000 251 HB2 GLU 31 HB2 GLU 31 10.578 -11.068 16.367 252 HB3 GLU 31 HB3 GLU 31 9.345 -11.712 17.442 253 HG2 GLU 31 HG2 GLU 31 10.382 -13.918 17.317 254 HG3 GLU 31 HG3 GLU 31 11.619 -13.274 16.238 255 H LYS 32 H LYS 32 9.716 -14.780 15.115 256 HA LYS 32 HA LYS 32 11.907 -14.481 13.306 257 HB2 LYS 32 HB2 LYS 32 10.481 -16.734 14.607 258 HB3 LYS 32 HB3 LYS 32 11.331 -17.102 13.113 259 HG2 LYS 32 HG2 LYS 32 12.806 -15.560 15.166 260 HG3 LYS 32 HG3 LYS 32 12.486 -17.265 15.497 261 HD2 LYS 32 HD2 LYS 32 13.355 -17.478 12.977 262 HD3 LYS 32 HD3 LYS 32 14.223 -16.014 13.447 263 HE2 LYS 32 HE2 LYS 32 15.747 -17.543 14.147 264 HE3 LYS 32 HE3 LYS 32 14.743 -17.503 15.595 265 HZ1 LYS 32 HZ1 LYS 32 15.085 -19.613 13.638 266 HZ2 LYS 32 HZ2 LYS 32 13.494 -19.368 14.157 267 HZ3 LYS 32 HZ3 LYS 32 14.708 -19.712 15.285 268 H GLN 33 H GLN 33 8.492 -15.209 12.986 269 HA GLN 33 HA GLN 33 8.481 -16.160 10.354 270 HB2 GLN 33 HB2 GLN 33 6.572 -16.123 12.068 271 HB3 GLN 33 HB3 GLN 33 6.279 -14.475 11.527 272 HG2 GLN 33 HG2 GLN 33 4.794 -15.958 10.377 273 HG3 GLN 33 HG3 GLN 33 5.971 -15.318 9.231 274 HE21 GLN 33 HE21 GLN 33 6.141 -17.960 11.586 275 HE22 GLN 33 HE22 GLN 33 6.557 -19.185 10.441 276 H LEU 34 H LEU 34 7.879 -12.853 11.544 277 HA LEU 34 HA LEU 34 7.551 -11.580 9.118 278 HB2 LEU 34 HB2 LEU 34 7.826 -9.592 10.242 279 HB3 LEU 34 HB3 LEU 34 7.393 -10.694 11.547 280 HG LEU 34 HG LEU 34 10.043 -10.880 11.737 281 HD11 LEU 34 HD11 LEU 34 10.841 -9.480 10.102 282 HD12 LEU 34 HD12 LEU 34 10.791 -8.390 11.487 283 HD13 LEU 34 HD13 LEU 34 9.510 -8.336 10.277 284 HD21 LEU 34 HD21 LEU 34 7.962 -9.520 13.091 285 HD22 LEU 34 HD22 LEU 34 9.364 -8.450 13.052 286 HD23 LEU 34 HD23 LEU 34 9.509 -10.072 13.731 287 H GLN 35 H GLN 35 10.492 -12.664 10.661 288 HA GLN 35 HA GLN 35 12.305 -11.203 9.041 289 HB2 GLN 35 HB2 GLN 35 12.752 -13.811 10.502 290 HB3 GLN 35 HB3 GLN 35 14.006 -12.738 9.894 291 HG2 GLN 35 HG2 GLN 35 12.027 -11.579 11.763 292 HG3 GLN 35 HG3 GLN 35 13.193 -12.724 12.424 293 HE21 GLN 35 HE21 GLN 35 12.630 -9.555 11.909 294 HE22 GLN 35 HE22 GLN 35 14.253 -8.962 11.869 295 H TYR 36 H TYR 36 10.733 -14.327 8.723 296 HA TYR 36 HA TYR 36 12.287 -15.201 6.496 297 HB2 TYR 36 HB2 TYR 36 11.243 -16.911 7.749 298 HB3 TYR 36 HB3 TYR 36 9.677 -16.109 7.695 299 HD1 TYR 36 HD1 TYR 36 12.202 -17.332 5.213 300 HD2 TYR 36 HD2 TYR 36 8.111 -17.142 6.367 301 HE1 TYR 36 HE1 TYR 36 11.591 -18.674 3.245 302 HE2 TYR 36 HE2 TYR 36 7.488 -18.484 4.402 303 HH TYR 36 HH TYR 36 9.953 -19.733 2.175 304 H ILE 37 H ILE 37 9.066 -13.747 6.837 305 HA ILE 37 HA ILE 37 8.349 -13.780 4.133 306 HB ILE 37 HB ILE 37 7.557 -11.773 6.246 307 HG12 ILE 37 HG12 ILE 37 5.604 -13.790 5.448 308 HG13 ILE 37 HG13 ILE 37 7.053 -14.498 6.154 309 HG21 ILE 37 HG21 ILE 37 6.841 -10.716 4.357 310 HG22 ILE 37 HG22 ILE 37 6.692 -12.215 3.441 311 HG23 ILE 37 HG23 ILE 37 5.463 -11.783 4.629 312 HD11 ILE 37 HD11 ILE 37 5.299 -14.084 7.810 313 HD12 ILE 37 HD12 ILE 37 6.765 -13.162 8.147 314 HD13 ILE 37 HD13 ILE 37 5.365 -12.362 7.435 315 H ARG 38 H ARG 38 10.244 -11.474 6.000 316 HA ARG 38 HA ARG 38 10.432 -9.593 3.822 317 HB2 ARG 38 HB2 ARG 38 11.810 -8.285 5.287 318 HB3 ARG 38 HB3 ARG 38 10.463 -8.913 6.226 319 HG2 ARG 38 HG2 ARG 38 11.889 -10.633 7.171 320 HG3 ARG 38 HG3 ARG 38 13.241 -10.072 6.185 321 HD2 ARG 38 HD2 ARG 38 11.803 -8.341 8.187 322 HD3 ARG 38 HD3 ARG 38 13.246 -9.280 8.569 323 HE ARG 38 HE ARG 38 13.124 -6.821 7.102 324 HH11 ARG 38 HH11 ARG 38 14.928 -9.760 7.578 325 HH12 ARG 38 HH12 ARG 38 16.426 -9.083 7.031 326 HH21 ARG 38 HH21 ARG 38 15.090 -5.918 6.379 327 HH22 ARG 38 HH22 ARG 38 16.517 -6.898 6.350 328 H SER 39 H SER 39 12.398 -12.146 5.213 329 HA SER 39 HA SER 39 14.784 -11.538 3.804 330 HB2 SER 39 HB2 SER 39 13.770 -14.002 5.208 331 HB3 SER 39 HB3 SER 39 15.304 -14.010 4.338 332 HG SER 39 HG SER 39 16.176 -12.835 5.861 333 H VAL 40 H VAL 40 12.279 -14.013 3.253 334 HA VAL 40 HA VAL 40 13.270 -15.123 0.926 335 HB VAL 40 HB VAL 40 11.347 -16.059 2.097 336 HG11 VAL 40 HG11 VAL 40 9.391 -14.216 0.914 337 HG12 VAL 40 HG12 VAL 40 9.420 -14.975 2.507 338 HG13 VAL 40 HG13 VAL 40 10.380 -13.527 2.201 339 HG21 VAL 40 HG21 VAL 40 10.515 -17.027 0.241 340 HG22 VAL 40 HG22 VAL 40 10.098 -15.485 -0.505 341 HG23 VAL 40 HG23 VAL 40 11.756 -16.078 -0.577 342 H LEU 41 H LEU 41 11.472 -12.139 1.368 343 HA LEU 41 HA LEU 41 10.700 -11.569 -1.218 344 HB2 LEU 41 HB2 LEU 41 10.530 -10.257 1.098 345 HB3 LEU 41 HB3 LEU 41 11.851 -9.346 0.369 346 HG LEU 41 HG LEU 41 9.075 -9.687 -0.763 347 HD11 LEU 41 HD11 LEU 41 8.801 -8.119 0.887 348 HD12 LEU 41 HD12 LEU 41 9.271 -7.094 -0.468 349 HD13 LEU 41 HD13 LEU 41 10.459 -7.531 0.759 350 HD21 LEU 41 HD21 LEU 41 10.311 -9.489 -2.679 351 HD22 LEU 41 HD22 LEU 41 11.602 -8.584 -1.887 352 HD23 LEU 41 HD23 LEU 41 10.078 -7.787 -2.280 353 H LEU 42 H LEU 42 13.871 -11.253 0.263 354 HA LEU 42 HA LEU 42 14.966 -10.137 -2.209 355 HB2 LEU 42 HB2 LEU 42 15.990 -10.421 0.589 356 HB3 LEU 42 HB3 LEU 42 17.102 -10.126 -0.746 357 HG LEU 42 HG LEU 42 16.596 -8.050 0.371 358 HD11 LEU 42 HD11 LEU 42 16.606 -8.373 -2.261 359 HD12 LEU 42 HD12 LEU 42 16.312 -6.806 -1.508 360 HD13 LEU 42 HD13 LEU 42 14.956 -7.776 -2.084 361 HD21 LEU 42 HD21 LEU 42 13.718 -8.237 -0.403 362 HD22 LEU 42 HD22 LEU 42 14.487 -7.252 0.842 363 HD23 LEU 42 HD23 LEU 42 14.270 -8.984 1.097 364 H ASP 43 H ASP 43 15.133 -12.988 -0.161 365 HA ASP 43 HA ASP 43 17.209 -14.230 -1.727 366 HB2 ASP 43 HB2 ASP 43 15.476 -15.158 0.555 367 HB3 ASP 43 HB3 ASP 43 16.551 -16.262 -0.298 368 H ARG 44 H ARG 44 16.848 -15.078 -3.659 369 HA ARG 44 HA ARG 44 14.168 -15.822 -4.472 370 HB2 ARG 44 HB2 ARG 44 16.802 -15.517 -5.863 371 HB3 ARG 44 HB3 ARG 44 15.517 -16.434 -6.637 372 HG2 ARG 44 HG2 ARG 44 14.644 -14.547 -7.383 373 HG3 ARG 44 HG3 ARG 44 14.376 -14.023 -5.719 374 HD2 ARG 44 HD2 ARG 44 15.699 -12.313 -6.447 375 HD3 ARG 44 HD3 ARG 44 16.943 -13.421 -5.871 376 HE ARG 44 HE ARG 44 17.679 -13.625 -8.020 377 HH11 ARG 44 HH11 ARG 44 14.416 -12.413 -8.070 378 HH12 ARG 44 HH12 ARG 44 14.400 -12.156 -9.783 379 HH21 ARG 44 HH21 ARG 44 17.670 -13.291 -10.276 380 HH22 ARG 44 HH22 ARG 44 16.250 -12.657 -11.037 381 H SER 45 H SER 45 17.262 -17.387 -3.832 382 HA SER 45 HA SER 45 16.733 -19.937 -4.778 383 HB2 SER 45 HB2 SER 45 18.916 -19.037 -3.814 384 HB3 SER 45 HB3 SER 45 18.249 -19.398 -2.222 385 HG SER 45 HG SER 45 19.309 -21.079 -4.085 386 H LEU 46 H LEU 46 15.968 -18.536 -1.612 387 HA LEU 46 HA LEU 46 14.975 -20.768 -0.325 388 HB2 LEU 46 HB2 LEU 46 14.575 -17.860 -0.113 389 HB3 LEU 46 HB3 LEU 46 13.295 -18.851 0.585 390 HG LEU 46 HG LEU 46 14.931 -18.187 2.267 391 HD11 LEU 46 HD11 LEU 46 15.733 -20.870 2.435 392 HD12 LEU 46 HD12 LEU 46 14.155 -20.874 1.650 393 HD13 LEU 46 HD13 LEU 46 14.355 -20.101 3.223 394 HD21 LEU 46 HD21 LEU 46 17.221 -19.183 2.149 395 HD22 LEU 46 HD22 LEU 46 16.909 -17.917 0.962 396 HD23 LEU 46 HD23 LEU 46 16.886 -19.611 0.472 397 H ASP 47 H ASP 47 12.887 -21.633 -0.049 398 HA ASP 47 HA ASP 47 11.388 -21.934 -2.408 399 HB2 ASP 47 HB2 ASP 47 10.414 -22.493 0.398 400 HB3 ASP 47 HB3 ASP 47 9.859 -23.245 -1.095 401 H ARG 48 H ARG 48 9.598 -20.952 -3.185 402 HA ARG 48 HA ARG 48 8.782 -18.477 -1.878 403 HB2 ARG 48 HB2 ARG 48 8.525 -19.604 -4.633 404 HB3 ARG 48 HB3 ARG 48 7.376 -18.379 -4.113 405 HG2 ARG 48 HG2 ARG 48 8.923 -16.992 -4.979 406 HG3 ARG 48 HG3 ARG 48 9.651 -17.176 -3.382 407 HD2 ARG 48 HD2 ARG 48 11.388 -17.504 -4.959 408 HD3 ARG 48 HD3 ARG 48 10.973 -19.097 -4.328 409 HE ARG 48 HE ARG 48 9.558 -18.443 -6.731 410 HH11 ARG 48 HH11 ARG 48 12.545 -19.685 -5.445 411 HH12 ARG 48 HH12 ARG 48 12.938 -20.583 -6.874 412 HH21 ARG 48 HH21 ARG 48 10.064 -19.621 -8.618 413 HH22 ARG 48 HH22 ARG 48 11.527 -20.545 -8.678 414 H SER 49 H SER 49 7.361 -21.502 -3.055 415 HA SER 49 HA SER 49 4.689 -20.996 -2.533 416 HB2 SER 49 HB2 SER 49 5.477 -23.001 -3.718 417 HB3 SER 49 HB3 SER 49 6.160 -23.625 -2.216 418 HG SER 49 HG SER 49 3.414 -23.063 -2.677 419 H ALA 50 H ALA 50 7.263 -21.919 -0.336 420 HA ALA 50 HA ALA 50 5.845 -22.711 1.894 421 HB1 ALA 50 HB1 ALA 50 7.888 -21.288 3.010 422 HB2 ALA 50 HB2 ALA 50 8.012 -22.943 2.411 423 HB3 ALA 50 HB3 ALA 50 8.501 -21.595 1.385 424 H LEU 51 H LEU 51 6.390 -19.467 0.662 425 HA LEU 51 HA LEU 51 5.686 -17.917 2.827 426 HB2 LEU 51 HB2 LEU 51 5.219 -17.556 -0.115 427 HB3 LEU 51 HB3 LEU 51 4.724 -16.334 1.055 428 HG LEU 51 HG LEU 51 7.554 -17.259 1.094 429 HD11 LEU 51 HD11 LEU 51 8.011 -15.402 -0.592 430 HD12 LEU 51 HD12 LEU 51 6.312 -15.549 -1.038 431 HD13 LEU 51 HD13 LEU 51 7.393 -16.930 -1.220 432 HD21 LEU 51 HD21 LEU 51 7.445 -14.524 1.289 433 HD22 LEU 51 HD22 LEU 51 7.488 -15.651 2.644 434 HD23 LEU 51 HD23 LEU 51 5.943 -15.029 2.062 435 H HIS 52 H HIS 52 3.607 -19.706 0.632 436 HA HIS 52 HA HIS 52 1.181 -18.619 1.762 437 HB2 HIS 52 HB2 HIS 52 1.406 -19.335 -0.640 438 HB3 HIS 52 HB3 HIS 52 1.472 -21.001 -0.075 439 HD1 HIS 52 HD1 HIS 52 -0.723 -21.490 -1.403 440 HD2 HIS 52 HD2 HIS 52 -1.125 -18.701 1.649 441 HE1 HIS 52 HE1 HIS 52 -3.199 -21.240 -1.042 442 H ARG 53 H ARG 53 3.113 -21.535 2.066 443 HA ARG 53 HA ARG 53 1.268 -23.100 3.497 444 HB2 ARG 53 HB2 ARG 53 4.286 -23.100 3.456 445 HB3 ARG 53 HB3 ARG 53 3.337 -24.297 4.327 446 HG2 ARG 53 HG2 ARG 53 2.855 -23.827 1.417 447 HG3 ARG 53 HG3 ARG 53 4.201 -24.834 1.951 448 HD2 ARG 53 HD2 ARG 53 1.363 -25.263 2.857 449 HD3 ARG 53 HD3 ARG 53 2.045 -26.044 1.431 450 HE ARG 53 HE ARG 53 3.642 -26.442 3.769 451 HH11 ARG 53 HH11 ARG 53 0.830 -27.559 2.048 452 HH12 ARG 53 HH12 ARG 53 0.892 -29.155 2.719 453 HH21 ARG 53 HH21 ARG 53 3.735 -28.540 4.659 454 HH22 ARG 53 HH22 ARG 53 2.545 -29.712 4.205 455 H LEU 54 H LEU 54 3.773 -20.843 4.593 456 HA LEU 54 HA LEU 54 3.641 -21.243 7.317 457 HB2 LEU 54 HB2 LEU 54 4.685 -19.190 7.576 458 HB3 LEU 54 HB3 LEU 54 5.144 -19.683 5.947 459 HG LEU 54 HG LEU 54 3.018 -18.202 5.328 460 HD11 LEU 54 HD11 LEU 54 3.172 -17.751 8.046 461 HD12 LEU 54 HD12 LEU 54 2.315 -16.757 6.868 462 HD13 LEU 54 HD13 LEU 54 3.961 -16.339 7.343 463 HD21 LEU 54 HD21 LEU 54 5.499 -16.691 5.982 464 HD22 LEU 54 HD22 LEU 54 4.506 -16.658 4.524 465 HD23 LEU 54 HD23 LEU 54 5.591 -18.017 4.822 466 H THR 55 H THR 55 2.236 -20.785 8.904 467 HA THR 55 HA THR 55 -0.118 -19.144 8.232 468 HB THR 55 HB THR 55 -0.187 -21.519 10.095 469 HG1 THR 55 HG1 THR 55 0.205 -22.318 8.029 470 HG21 THR 55 HG21 THR 55 -2.598 -21.321 9.845 471 HG22 THR 55 HG22 THR 55 -2.392 -19.976 8.724 472 HG23 THR 55 HG23 THR 55 -1.922 -19.796 10.414 473 H LEU 56 H LEU 56 0.654 -17.291 9.223 474 HA LEU 56 HA LEU 56 1.059 -17.471 12.136 475 HB2 LEU 56 HB2 LEU 56 2.900 -16.608 10.430 476 HB3 LEU 56 HB3 LEU 56 1.999 -15.104 10.608 477 HG LEU 56 HG LEU 56 2.343 -15.634 13.183 478 HD11 LEU 56 HD11 LEU 56 3.532 -17.553 13.351 479 HD12 LEU 56 HD12 LEU 56 4.887 -16.442 13.153 480 HD13 LEU 56 HD13 LEU 56 4.288 -17.356 11.769 481 HD21 LEU 56 HD21 LEU 56 4.702 -14.449 12.771 482 HD22 LEU 56 HD22 LEU 56 3.163 -13.603 12.602 483 HD23 LEU 56 HD23 LEU 56 3.992 -14.223 11.172 484 H GLY 57 H GLY 57 0.411 -15.490 13.345 485 HA2 GLY 57 HA2 GLY 57 -0.962 -13.591 13.628 486 HA3 GLY 57 HA3 GLY 57 -1.697 -13.918 12.065 487 H SER 58 H SER 58 -2.194 -16.728 12.646 488 HA SER 58 HA SER 58 -4.779 -16.519 13.707 489 HB2 SER 58 HB2 SER 58 -3.044 -18.991 13.477 490 HB3 SER 58 HB3 SER 58 -4.795 -18.976 13.688 491 HG SER 58 HG SER 58 -4.897 -18.849 11.603 492 H ILE 59 H ILE 59 -1.699 -17.190 15.214 493 HA ILE 59 HA ILE 59 -2.855 -18.032 17.717 494 HB ILE 59 HB ILE 59 -0.550 -18.004 18.568 495 HG12 ILE 59 HG12 ILE 59 0.139 -16.960 15.812 496 HG13 ILE 59 HG13 ILE 59 0.282 -16.067 17.322 497 HG21 ILE 59 HG21 ILE 59 0.345 -19.757 17.111 498 HG22 ILE 59 HG22 ILE 59 -1.377 -19.983 17.418 499 HG23 ILE 59 HG23 ILE 59 -0.835 -19.327 15.873 500 HD11 ILE 59 HD11 ILE 59 2.046 -18.094 16.149 501 HD12 ILE 59 HD12 ILE 59 2.416 -16.732 17.207 502 HD13 ILE 59 HD13 ILE 59 1.785 -18.232 17.887 503 H ALA 60 H ALA 60 -1.599 -15.075 16.327 504 HA ALA 60 HA ALA 60 -1.527 -13.632 18.805 505 HB1 ALA 60 HB1 ALA 60 -0.035 -12.901 17.119 506 HB2 ALA 60 HB2 ALA 60 -1.332 -12.767 15.930 507 HB3 ALA 60 HB3 ALA 60 -1.257 -11.640 17.284 508 H VAL 61 H VAL 61 -3.809 -13.984 16.143 509 HA VAL 61 HA VAL 61 -5.587 -11.932 16.927 510 HB VAL 61 HB VAL 61 -5.607 -12.943 14.676 511 HG11 VAL 61 HG11 VAL 61 -6.706 -15.337 16.139 512 HG12 VAL 61 HG12 VAL 61 -6.807 -15.118 14.391 513 HG13 VAL 61 HG13 VAL 61 -5.232 -15.249 15.174 514 HG21 VAL 61 HG21 VAL 61 -7.665 -12.124 14.517 515 HG22 VAL 61 HG22 VAL 61 -8.328 -13.579 15.262 516 HG23 VAL 61 HG23 VAL 61 -7.825 -12.222 16.271 517 H LYS 62 H LYS 62 -5.074 -15.156 18.061 518 HA LYS 62 HA LYS 62 -7.600 -15.141 19.546 519 HB2 LYS 62 HB2 LYS 62 -6.777 -17.165 18.203 520 HB3 LYS 62 HB3 LYS 62 -5.588 -17.382 19.480 521 HG2 LYS 62 HG2 LYS 62 -7.335 -18.810 20.057 522 HG3 LYS 62 HG3 LYS 62 -7.569 -17.396 21.087 523 HD2 LYS 62 HD2 LYS 62 -9.314 -16.571 19.672 524 HD3 LYS 62 HD3 LYS 62 -8.982 -17.806 18.455 525 HE2 LYS 62 HE2 LYS 62 -9.815 -18.488 21.262 526 HE3 LYS 62 HE3 LYS 62 -10.985 -18.190 19.977 527 HZ1 LYS 62 HZ1 LYS 62 -9.389 -19.948 18.788 528 HZ2 LYS 62 HZ2 LYS 62 -10.757 -20.394 19.677 529 HZ3 LYS 62 HZ3 LYS 62 -9.225 -20.462 20.391 530 H GLU 63 H GLU 63 -4.140 -15.775 20.145 531 HA GLU 63 HA GLU 63 -4.401 -15.647 22.974 532 HB2 GLU 63 HB2 GLU 63 -1.926 -15.345 21.264 533 HB3 GLU 63 HB3 GLU 63 -1.947 -15.645 22.996 534 HG2 GLU 63 HG2 GLU 63 -3.504 -17.676 21.959 535 HG3 GLU 63 HG3 GLU 63 -2.201 -17.497 20.786 536 H PHE 64 H PHE 64 -2.965 -13.393 20.615 537 HA PHE 64 HA PHE 64 -2.967 -11.290 22.641 538 HB2 PHE 64 HB2 PHE 64 -1.927 -11.130 19.808 539 HB3 PHE 64 HB3 PHE 64 -1.567 -10.040 21.143 540 HD1 PHE 64 HD1 PHE 64 0.105 -12.053 19.206 541 HD2 PHE 64 HD2 PHE 64 -0.985 -11.912 23.318 542 HE1 PHE 64 HE1 PHE 64 2.079 -13.409 19.772 543 HE2 PHE 64 HE2 PHE 64 0.987 -13.267 23.890 544 HZ PHE 64 HZ PHE 64 2.523 -14.016 22.117 545 H ASP 65 H ASP 65 -5.486 -12.214 21.644 546 HA ASP 65 HA ASP 65 -6.530 -10.518 19.641 547 HB2 ASP 65 HB2 ASP 65 -7.506 -12.709 20.611 548 HB3 ASP 65 HB3 ASP 65 -8.195 -11.677 21.862 549 H GLU 66 H GLU 66 -6.951 -10.401 23.184 550 HA GLU 66 HA GLU 66 -7.668 -7.562 22.922 551 HB2 GLU 66 HB2 GLU 66 -8.417 -9.709 24.849 552 HB3 GLU 66 HB3 GLU 66 -8.338 -8.058 25.449 553 HG2 GLU 66 HG2 GLU 66 -9.835 -7.494 23.425 554 HG3 GLU 66 HG3 GLU 66 -10.155 -9.227 23.386 555 H THR 67 H THR 67 -5.562 -9.812 24.626 556 HA THR 67 HA THR 67 -4.367 -8.065 26.433 557 HB THR 67 HB THR 67 -2.576 -9.625 26.630 558 HG1 THR 67 HG1 THR 67 -2.566 -11.386 24.915 559 HG21 THR 67 HG21 THR 67 -4.917 -11.320 25.785 560 HG22 THR 67 HG22 THR 67 -4.917 -10.376 27.275 561 HG23 THR 67 HG23 THR 67 -3.723 -11.652 27.039 562 H ASP 68 H ASP 68 -3.618 -8.692 23.041 563 HA ASP 68 HA ASP 68 -2.277 -6.148 22.836 564 HB2 ASP 68 HB2 ASP 68 -0.613 -8.077 23.602 565 HB3 ASP 68 HB3 ASP 68 -0.616 -8.430 21.877 566 HA PRO 69 HA PRO 69 -4.605 -7.506 19.077 567 HB2 PRO 69 HB2 PRO 69 -5.849 -5.120 18.715 568 HB3 PRO 69 HB3 PRO 69 -6.481 -6.382 19.780 569 HG2 PRO 69 HG2 PRO 69 -4.912 -3.929 20.473 570 HG3 PRO 69 HG3 PRO 69 -6.328 -4.618 21.287 571 HD2 PRO 69 HD2 PRO 69 -3.805 -4.977 22.201 572 HD3 PRO 69 HD3 PRO 69 -5.076 -6.200 22.400 573 H GLU 70 H GLU 70 -2.742 -4.603 19.806 574 HA GLU 70 HA GLU 70 -2.371 -3.622 17.227 575 HB2 GLU 70 HB2 GLU 70 -0.799 -3.451 19.764 576 HB3 GLU 70 HB3 GLU 70 -0.080 -2.853 18.275 577 HG2 GLU 70 HG2 GLU 70 -2.131 -1.438 17.973 578 HG3 GLU 70 HG3 GLU 70 -2.601 -1.909 19.606 579 H LEU 71 H LEU 71 -0.724 -6.207 18.942 580 HA LEU 71 HA LEU 71 1.365 -6.549 17.038 581 HB2 LEU 71 HB2 LEU 71 0.365 -7.964 19.420 582 HB3 LEU 71 HB3 LEU 71 1.200 -8.966 18.235 583 HG LEU 71 HG LEU 71 3.145 -7.392 18.410 584 HD11 LEU 71 HD11 LEU 71 3.095 -5.556 19.670 585 HD12 LEU 71 HD12 LEU 71 2.353 -6.405 21.025 586 HD13 LEU 71 HD13 LEU 71 1.345 -5.771 19.724 587 HD21 LEU 71 HD21 LEU 71 2.731 -9.593 19.730 588 HD22 LEU 71 HD22 LEU 71 2.541 -8.516 21.114 589 HD23 LEU 71 HD23 LEU 71 4.053 -8.526 20.205 590 H SER 72 H SER 72 -1.681 -8.281 17.644 591 HA SER 72 HA SER 72 -1.402 -10.143 15.552 592 HB2 SER 72 HB2 SER 72 -3.007 -10.675 17.197 593 HB3 SER 72 HB3 SER 72 -3.783 -9.096 17.073 594 HG SER 72 HG SER 72 -3.822 -11.184 15.152 595 H ARG 73 H ARG 73 -2.822 -6.919 15.677 596 HA ARG 73 HA ARG 73 -4.042 -6.924 13.150 597 HB2 ARG 73 HB2 ARG 73 -3.012 -4.748 14.946 598 HB3 ARG 73 HB3 ARG 73 -3.650 -4.368 13.352 599 HG2 ARG 73 HG2 ARG 73 -5.799 -4.974 13.918 600 HG3 ARG 73 HG3 ARG 73 -5.267 -6.026 15.231 601 HD2 ARG 73 HD2 ARG 73 -4.729 -4.155 16.610 602 HD3 ARG 73 HD3 ARG 73 -4.967 -3.031 15.273 603 HE ARG 73 HE ARG 73 -7.357 -4.422 15.687 604 HH11 ARG 73 HH11 ARG 73 -5.332 -2.094 17.301 605 HH12 ARG 73 HH12 ARG 73 -6.642 -1.356 18.161 606 HH21 ARG 73 HH21 ARG 73 -9.090 -3.458 16.814 607 HH22 ARG 73 HH22 ARG 73 -8.779 -2.133 17.884 608 H ALA 74 H ALA 74 -0.745 -6.253 14.159 609 HA ALA 74 HA ALA 74 0.070 -5.354 11.539 610 HB1 ALA 74 HB1 ALA 74 1.052 -4.567 13.745 611 HB2 ALA 74 HB2 ALA 74 1.903 -6.112 13.795 612 HB3 ALA 74 HB3 ALA 74 2.198 -4.986 12.471 613 H LEU 75 H LEU 75 0.650 -8.217 13.567 614 HA LEU 75 HA LEU 75 2.287 -9.600 11.762 615 HB2 LEU 75 HB2 LEU 75 0.631 -10.322 14.112 616 HB3 LEU 75 HB3 LEU 75 1.135 -11.633 13.047 617 HG LEU 75 HG LEU 75 2.658 -11.433 14.917 618 HD11 LEU 75 HD11 LEU 75 4.565 -10.376 13.089 619 HD12 LEU 75 HD12 LEU 75 3.392 -11.336 12.189 620 HD13 LEU 75 HD13 LEU 75 4.272 -12.057 13.536 621 HD21 LEU 75 HD21 LEU 75 4.104 -9.346 15.021 622 HD22 LEU 75 HD22 LEU 75 2.448 -9.195 15.610 623 HD23 LEU 75 HD23 LEU 75 2.879 -8.574 14.015 624 H LYS 76 H LYS 76 -1.227 -9.591 12.174 625 HA LYS 76 HA LYS 76 -1.947 -11.635 10.471 626 HB2 LYS 76 HB2 LYS 76 -3.239 -9.084 11.310 627 HB3 LYS 76 HB3 LYS 76 -3.960 -9.968 9.972 628 HG2 LYS 76 HG2 LYS 76 -3.307 -11.539 12.385 629 HG3 LYS 76 HG3 LYS 76 -4.624 -10.372 12.527 630 HD2 LYS 76 HD2 LYS 76 -5.821 -11.393 10.732 631 HD3 LYS 76 HD3 LYS 76 -4.444 -12.418 10.322 632 HE2 LYS 76 HE2 LYS 76 -4.674 -13.377 12.673 633 HE3 LYS 76 HE3 LYS 76 -6.242 -12.573 12.726 634 HZ1 LYS 76 HZ1 LYS 76 -6.580 -14.798 12.013 635 HZ2 LYS 76 HZ2 LYS 76 -5.373 -14.685 10.833 636 HZ3 LYS 76 HZ3 LYS 76 -6.809 -13.808 10.661 637 H ASP 77 H ASP 77 -1.300 -8.242 9.645 638 HA ASP 77 HA ASP 77 -1.668 -8.726 6.826 639 HB2 ASP 77 HB2 ASP 77 -1.411 -6.430 6.529 640 HB3 ASP 77 HB3 ASP 77 -2.099 -6.528 8.148 641 H ALA 78 H ALA 78 0.940 -8.777 9.086 642 HA ALA 78 HA ALA 78 3.122 -8.292 7.405 643 HB1 ALA 78 HB1 ALA 78 4.405 -8.881 9.168 644 HB2 ALA 78 HB2 ALA 78 2.870 -8.776 10.032 645 HB3 ALA 78 HB3 ALA 78 3.476 -10.344 9.497 646 H TYR 79 H TYR 79 1.592 -11.386 8.286 647 HA TYR 79 HA TYR 79 3.227 -12.864 6.438 648 HB2 TYR 79 HB2 TYR 79 2.272 -14.773 7.330 649 HB3 TYR 79 HB3 TYR 79 2.108 -13.652 8.676 650 HD1 TYR 79 HD1 TYR 79 0.324 -15.475 6.044 651 HD2 TYR 79 HD2 TYR 79 -0.068 -12.812 9.339 652 HE1 TYR 79 HE1 TYR 79 -2.101 -15.882 6.077 653 HE2 TYR 79 HE2 TYR 79 -2.494 -13.213 9.382 654 HH TYR 79 HH TYR 79 -3.972 -15.698 8.036 655 H TYR 80 H TYR 80 0.037 -11.442 6.450 656 HA TYR 80 HA TYR 80 -1.102 -12.793 4.285 657 HB2 TYR 80 HB2 TYR 80 -2.265 -11.211 5.877 658 HB3 TYR 80 HB3 TYR 80 -1.560 -9.884 4.961 659 HD1 TYR 80 HD1 TYR 80 -3.863 -12.775 4.731 660 HD2 TYR 80 HD2 TYR 80 -2.523 -9.164 2.923 661 HE1 TYR 80 HE1 TYR 80 -5.750 -12.870 3.157 662 HE2 TYR 80 HE2 TYR 80 -4.407 -9.247 1.345 663 HH TYR 80 HH TYR 80 -6.312 -11.997 0.902 664 H VAL 81 H VAL 81 0.701 -9.722 4.332 665 HA VAL 81 HA VAL 81 0.625 -9.103 1.646 666 HB VAL 81 HB VAL 81 2.925 -8.685 3.560 667 HG11 VAL 81 HG11 VAL 81 2.341 -7.375 0.907 668 HG12 VAL 81 HG12 VAL 81 3.607 -6.882 2.033 669 HG13 VAL 81 HG13 VAL 81 3.678 -8.467 1.263 670 HG21 VAL 81 HG21 VAL 81 1.793 -6.972 4.436 671 HG22 VAL 81 HG22 VAL 81 1.297 -6.384 2.849 672 HG23 VAL 81 HG23 VAL 81 0.366 -7.650 3.651 673 H GLY 82 H GLY 82 3.019 -11.127 3.335 674 HA2 GLY 82 HA2 GLY 82 4.712 -11.706 1.234 675 HA3 GLY 82 HA3 GLY 82 4.368 -12.815 2.554 676 H ILE 83 H ILE 83 1.503 -12.947 1.833 677 HA ILE 83 HA ILE 83 1.565 -15.229 0.223 678 HB ILE 83 HB ILE 83 -0.791 -13.386 0.642 679 HG12 ILE 83 HG12 ILE 83 0.140 -15.762 2.268 680 HG13 ILE 83 HG13 ILE 83 0.211 -14.078 2.775 681 HG21 ILE 83 HG21 ILE 83 -1.124 -14.989 -1.161 682 HG22 ILE 83 HG22 ILE 83 -0.663 -16.309 -0.087 683 HG23 ILE 83 HG23 ILE 83 -2.135 -15.390 0.227 684 HD11 ILE 83 HD11 ILE 83 -2.112 -15.910 2.586 685 HD12 ILE 83 HD12 ILE 83 -1.686 -14.740 3.836 686 HD13 ILE 83 HD13 ILE 83 -2.376 -14.189 2.309 687 H ARG 84 H ARG 84 0.466 -11.942 -0.622 688 HA ARG 84 HA ARG 84 -0.141 -12.361 -3.279 689 HB2 ARG 84 HB2 ARG 84 -0.176 -10.064 -3.518 690 HB3 ARG 84 HB3 ARG 84 -0.328 -10.229 -1.774 691 HG2 ARG 84 HG2 ARG 84 2.279 -10.040 -1.827 692 HG3 ARG 84 HG3 ARG 84 1.983 -9.286 -3.395 693 HD2 ARG 84 HD2 ARG 84 0.136 -8.081 -1.732 694 HD3 ARG 84 HD3 ARG 84 1.564 -8.246 -0.712 695 HE ARG 84 HE ARG 84 2.243 -7.197 -3.261 696 HH11 ARG 84 HH11 ARG 84 0.807 -6.339 -0.208 697 HH12 ARG 84 HH12 ARG 84 1.237 -4.665 -0.328 698 HH21 ARG 84 HH21 ARG 84 2.815 -4.995 -3.430 699 HH22 ARG 84 HH22 ARG 84 2.379 -3.902 -2.162 700 H THR 85 H THR 85 2.980 -12.066 -1.758 701 HA THR 85 HA THR 85 4.395 -11.797 -4.271 702 HB THR 85 HB THR 85 6.279 -12.457 -2.336 703 HG1 THR 85 HG1 THR 85 5.682 -11.237 -0.529 704 HG21 THR 85 HG21 THR 85 5.420 -9.624 -2.800 705 HG22 THR 85 HG22 THR 85 6.116 -10.573 -4.114 706 HG23 THR 85 HG23 THR 85 7.047 -10.285 -2.644 707 H GLY 86 H GLY 86 3.666 -14.305 -1.917 708 HA2 GLY 86 HA2 GLY 86 5.463 -16.258 -2.911 709 HA3 GLY 86 HA3 GLY 86 4.042 -16.572 -1.925 710 H ARG 87 H ARG 87 2.147 -15.418 -3.755 711 HA ARG 87 HA ARG 87 2.132 -17.563 -5.759 712 HB2 ARG 87 HB2 ARG 87 0.207 -17.618 -4.323 713 HB3 ARG 87 HB3 ARG 87 -0.096 -15.905 -4.577 714 HG2 ARG 87 HG2 ARG 87 -1.655 -17.310 -5.827 715 HG3 ARG 87 HG3 ARG 87 -0.661 -16.320 -6.896 716 HD2 ARG 87 HD2 ARG 87 0.746 -18.194 -7.416 717 HD3 ARG 87 HD3 ARG 87 -0.065 -19.193 -6.210 718 HE ARG 87 HE ARG 87 -0.990 -18.581 -8.870 719 HH11 ARG 87 HH11 ARG 87 -1.884 -19.631 -5.674 720 HH12 ARG 87 HH12 ARG 87 -3.327 -20.433 -6.200 721 HH21 ARG 87 HH21 ARG 87 -2.888 -19.632 -9.575 722 HH22 ARG 87 HH22 ARG 87 -3.897 -20.433 -8.419 723 H GLY 88 H GLY 88 2.214 -14.126 -5.365 724 HA2 GLY 88 HA2 GLY 88 2.892 -12.609 -7.023 725 HA3 GLY 88 HA3 GLY 88 2.543 -13.822 -8.246 726 H LEU 89 H LEU 89 0.306 -12.869 -5.713 727 HA LEU 89 HA LEU 89 -1.604 -12.065 -7.763 728 HB2 LEU 89 HB2 LEU 89 -1.747 -13.230 -5.139 729 HB3 LEU 89 HB3 LEU 89 -2.754 -11.786 -5.219 730 HG LEU 89 HG LEU 89 -4.004 -13.851 -5.696 731 HD11 LEU 89 HD11 LEU 89 -3.724 -11.992 -8.054 732 HD12 LEU 89 HD12 LEU 89 -4.751 -11.735 -6.643 733 HD13 LEU 89 HD13 LEU 89 -5.084 -13.072 -7.744 734 HD21 LEU 89 HD21 LEU 89 -2.097 -14.054 -8.021 735 HD22 LEU 89 HD22 LEU 89 -3.600 -14.968 -7.888 736 HD23 LEU 89 HD23 LEU 89 -2.312 -15.210 -6.706 737 H LYS 90 H LYS 90 -3.162 -10.226 -6.788 738 HA LYS 90 HA LYS 90 -1.403 -7.968 -6.082 739 HB2 LYS 90 HB2 LYS 90 -3.274 -8.310 -8.259 740 HB3 LYS 90 HB3 LYS 90 -3.727 -6.931 -7.265 741 HG2 LYS 90 HG2 LYS 90 -0.952 -7.324 -8.349 742 HG3 LYS 90 HG3 LYS 90 -2.213 -6.442 -9.212 743 HD2 LYS 90 HD2 LYS 90 -1.413 -5.757 -6.395 744 HD3 LYS 90 HD3 LYS 90 -0.599 -5.066 -7.801 745 HE2 LYS 90 HE2 LYS 90 -3.212 -4.659 -8.436 746 HE3 LYS 90 HE3 LYS 90 -3.256 -4.502 -6.681 747 HZ1 LYS 90 HZ1 LYS 90 -1.272 -3.054 -8.328 748 HZ2 LYS 90 HZ2 LYS 90 -1.744 -2.738 -6.735 749 HZ3 LYS 90 HZ3 LYS 90 -2.805 -2.414 -8.012 750 H VAL 91 H VAL 91 -1.979 -6.679 -4.413 751 HA VAL 91 HA VAL 91 -3.735 -7.582 -2.451 752 HB VAL 91 HB VAL 91 -3.587 -5.212 -1.546 753 HG11 VAL 91 HG11 VAL 91 -2.037 -7.131 -1.011 754 HG12 VAL 91 HG12 VAL 91 -0.918 -6.444 -2.189 755 HG13 VAL 91 HG13 VAL 91 -1.374 -5.516 -0.760 756 HG21 VAL 91 HG21 VAL 91 -2.608 -3.548 -2.695 757 HG22 VAL 91 HG22 VAL 91 -1.369 -4.605 -3.370 758 HG23 VAL 91 HG23 VAL 91 -2.969 -4.541 -4.107 759 H ASP 92 H ASP 92 -5.716 -6.658 -1.659 760 HA ASP 92 HA ASP 92 -7.258 -4.791 -3.095 761 HB2 ASP 92 HB2 ASP 92 -7.218 -6.852 -4.656 762 HB3 ASP 92 HB3 ASP 92 -8.300 -7.587 -3.475 763 H LEU 93 H LEU 93 -6.750 -4.909 -0.483 764 HA LEU 93 HA LEU 93 -8.846 -6.300 0.939 765 HB2 LEU 93 HB2 LEU 93 -6.587 -4.502 1.728 766 HB3 LEU 93 HB3 LEU 93 -7.867 -4.888 2.877 767 HG LEU 93 HG LEU 93 -5.960 -6.321 3.252 768 HD11 LEU 93 HD11 LEU 93 -8.132 -7.919 1.910 769 HD12 LEU 93 HD12 LEU 93 -8.265 -7.222 3.525 770 HD13 LEU 93 HD13 LEU 93 -7.044 -8.451 3.193 771 HD21 LEU 93 HD21 LEU 93 -4.745 -7.304 1.649 772 HD22 LEU 93 HD22 LEU 93 -5.550 -6.176 0.557 773 HD23 LEU 93 HD23 LEU 93 -6.171 -7.817 0.747 774 HA PRO 94 HA PRO 94 -11.876 -3.129 1.069 775 HB2 PRO 94 HB2 PRO 94 -12.846 -3.380 3.592 776 HB3 PRO 94 HB3 PRO 94 -13.170 -4.561 2.317 777 HG2 PRO 94 HG2 PRO 94 -11.153 -4.666 4.527 778 HG3 PRO 94 HG3 PRO 94 -12.217 -5.949 3.921 779 HD2 PRO 94 HD2 PRO 94 -9.606 -5.772 3.227 780 HD3 PRO 94 HD3 PRO 94 -10.845 -6.413 2.129 Start of MODEL 10 1 H MET 1 H MET 1 3.532 1.812 -0.518 2 HA MET 1 HA MET 1 3.071 0.331 -2.796 3 HB2 MET 1 HB2 MET 1 5.221 1.231 -3.634 4 HB3 MET 1 HB3 MET 1 4.216 2.461 -2.880 5 HG2 MET 1 HG2 MET 1 5.602 1.967 -0.762 6 HG3 MET 1 HG3 MET 1 6.738 1.214 -1.879 7 HE1 MET 1 HE1 MET 1 8.712 2.783 -3.052 8 HE2 MET 1 HE2 MET 1 8.953 4.131 -1.941 9 HE3 MET 1 HE3 MET 1 8.604 2.520 -1.311 10 H THR 2 H THR 2 5.373 -0.266 -0.205 11 HA THR 2 HA THR 2 6.032 -2.846 -1.472 12 HB THR 2 HB THR 2 8.070 -1.706 -1.513 13 HG1 THR 2 HG1 THR 2 9.088 -3.226 -0.459 14 HG21 THR 2 HG21 THR 2 7.473 -0.703 1.274 15 HG22 THR 2 HG22 THR 2 7.404 0.246 -0.211 16 HG23 THR 2 HG23 THR 2 8.948 -0.382 0.364 17 HA PRO 3 HA PRO 3 4.404 -4.822 2.105 18 HB2 PRO 3 HB2 PRO 3 5.814 -7.140 2.027 19 HB3 PRO 3 HB3 PRO 3 4.505 -6.773 0.897 20 HG2 PRO 3 HG2 PRO 3 7.464 -6.535 0.510 21 HG3 PRO 3 HG3 PRO 3 6.237 -7.167 -0.604 22 HD2 PRO 3 HD2 PRO 3 7.262 -4.671 -0.829 23 HD3 PRO 3 HD3 PRO 3 5.592 -5.062 -1.287 24 H ILE 4 H ILE 4 7.906 -4.594 1.737 25 HA ILE 4 HA ILE 4 8.769 -5.416 4.222 26 HB ILE 4 HB ILE 4 10.246 -4.736 2.327 27 HG12 ILE 4 HG12 ILE 4 11.426 -3.110 4.414 28 HG13 ILE 4 HG13 ILE 4 10.680 -4.555 5.089 29 HG21 ILE 4 HG21 ILE 4 8.880 -2.430 2.285 30 HG22 ILE 4 HG22 ILE 4 10.268 -1.932 3.251 31 HG23 ILE 4 HG23 ILE 4 10.511 -2.599 1.636 32 HD11 ILE 4 HD11 ILE 4 13.166 -4.579 4.318 33 HD12 ILE 4 HD12 ILE 4 12.123 -5.967 4.007 34 HD13 ILE 4 HD13 ILE 4 12.461 -4.811 2.719 35 H GLU 5 H GLU 5 7.210 -2.418 3.319 36 HA GLU 5 HA GLU 5 7.781 -1.039 5.754 37 HB2 GLU 5 HB2 GLU 5 6.374 -0.501 3.277 38 HB3 GLU 5 HB3 GLU 5 5.467 0.087 4.664 39 HG2 GLU 5 HG2 GLU 5 7.020 1.744 3.635 40 HG3 GLU 5 HG3 GLU 5 7.256 1.473 5.361 41 H TYR 6 H TYR 6 5.004 -2.861 4.524 42 HA TYR 6 HA TYR 6 3.283 -2.384 6.696 43 HB2 TYR 6 HB2 TYR 6 3.406 -4.687 4.743 44 HB3 TYR 6 HB3 TYR 6 2.098 -4.449 5.897 45 HD1 TYR 6 HD1 TYR 6 2.419 -4.363 2.657 46 HD2 TYR 6 HD2 TYR 6 1.713 -1.528 5.750 47 HE1 TYR 6 HE1 TYR 6 1.272 -2.900 1.046 48 HE2 TYR 6 HE2 TYR 6 0.563 -0.058 4.148 49 HH TYR 6 HH TYR 6 0.793 0.145 1.345 50 H ILE 7 H ILE 7 5.433 -5.137 6.010 51 HA ILE 7 HA ILE 7 4.888 -6.506 8.425 52 HB ILE 7 HB ILE 7 6.903 -7.827 7.928 53 HG12 ILE 7 HG12 ILE 7 7.763 -7.089 5.450 54 HG13 ILE 7 HG13 ILE 7 7.441 -5.517 6.173 55 HG21 ILE 7 HG21 ILE 7 4.939 -7.287 5.728 56 HG22 ILE 7 HG22 ILE 7 6.179 -8.530 5.572 57 HG23 ILE 7 HG23 ILE 7 4.986 -8.633 6.866 58 HD11 ILE 7 HD11 ILE 7 9.553 -7.466 6.746 59 HD12 ILE 7 HD12 ILE 7 9.544 -5.709 6.909 60 HD13 ILE 7 HD13 ILE 7 8.819 -6.715 8.163 61 H ASP 8 H ASP 8 7.262 -4.084 7.512 62 HA ASP 8 HA ASP 8 9.061 -4.262 9.596 63 HB2 ASP 8 HB2 ASP 8 9.604 -2.734 7.901 64 HB3 ASP 8 HB3 ASP 8 8.043 -1.923 8.005 65 H ARG 9 H ARG 9 5.912 -2.656 9.531 66 HA ARG 9 HA ARG 9 5.993 -1.315 11.947 67 HB2 ARG 9 HB2 ARG 9 3.644 -2.725 10.668 68 HB3 ARG 9 HB3 ARG 9 3.522 -1.551 11.971 69 HG2 ARG 9 HG2 ARG 9 4.690 -0.973 9.257 70 HG3 ARG 9 HG3 ARG 9 3.030 -0.615 9.738 71 HD2 ARG 9 HD2 ARG 9 5.493 0.458 11.108 72 HD3 ARG 9 HD3 ARG 9 4.549 1.336 9.906 73 HE ARG 9 HE ARG 9 3.887 0.931 12.668 74 HH11 ARG 9 HH11 ARG 9 2.609 1.541 9.488 75 HH12 ARG 9 HH12 ARG 9 1.156 2.284 10.072 76 HH21 ARG 9 HH21 ARG 9 1.978 1.906 13.449 77 HH22 ARG 9 HH22 ARG 9 0.799 2.492 12.325 78 H ALA 10 H ALA 10 5.234 -4.708 11.312 79 HA ALA 10 HA ALA 10 4.518 -5.350 13.985 80 HB1 ALA 10 HB1 ALA 10 3.897 -7.267 13.054 81 HB2 ALA 10 HB2 ALA 10 4.507 -6.662 11.513 82 HB3 ALA 10 HB3 ALA 10 5.553 -7.620 12.560 83 H LEU 11 H LEU 11 7.542 -5.362 12.197 84 HA LEU 11 HA LEU 11 9.085 -6.833 14.033 85 HB2 LEU 11 HB2 LEU 11 9.933 -6.495 11.845 86 HB3 LEU 11 HB3 LEU 11 9.802 -4.744 11.993 87 HG LEU 11 HG LEU 11 11.629 -6.137 13.872 88 HD11 LEU 11 HD11 LEU 11 12.452 -7.289 12.067 89 HD12 LEU 11 HD12 LEU 11 13.392 -5.800 11.968 90 HD13 LEU 11 HD13 LEU 11 11.996 -6.033 10.916 91 HD21 LEU 11 HD21 LEU 11 11.205 -3.480 12.733 92 HD22 LEU 11 HD22 LEU 11 12.898 -3.972 12.784 93 HD23 LEU 11 HD23 LEU 11 11.938 -3.956 14.264 94 H ALA 12 H ALA 12 8.145 -3.465 13.907 95 HA ALA 12 HA ALA 12 9.947 -2.677 16.023 96 HB1 ALA 12 HB1 ALA 12 9.492 -1.016 14.394 97 HB2 ALA 12 HB2 ALA 12 7.749 -1.229 14.564 98 HB3 ALA 12 HB3 ALA 12 8.681 -0.506 15.875 99 H LEU 13 H LEU 13 6.571 -3.568 15.682 100 HA LEU 13 HA LEU 13 5.796 -2.747 18.306 101 HB2 LEU 13 HB2 LEU 13 4.521 -4.613 16.316 102 HB3 LEU 13 HB3 LEU 13 3.780 -4.157 17.848 103 HG LEU 13 HG LEU 13 4.534 -2.139 15.747 104 HD11 LEU 13 HD11 LEU 13 2.816 -2.746 14.490 105 HD12 LEU 13 HD12 LEU 13 1.727 -2.565 15.865 106 HD13 LEU 13 HD13 LEU 13 2.514 -4.114 15.562 107 HD21 LEU 13 HD21 LEU 13 2.814 -2.112 18.212 108 HD22 LEU 13 HD22 LEU 13 2.706 -0.872 16.963 109 HD23 LEU 13 HD23 LEU 13 4.217 -1.109 17.844 110 H VAL 14 H VAL 14 6.541 -5.897 16.832 111 HA VAL 14 HA VAL 14 6.109 -7.548 18.997 112 HB VAL 14 HB VAL 14 6.663 -8.432 16.801 113 HG11 VAL 14 HG11 VAL 14 9.547 -7.746 17.237 114 HG12 VAL 14 HG12 VAL 14 8.724 -8.212 15.746 115 HG13 VAL 14 HG13 VAL 14 8.456 -6.612 16.440 116 HG21 VAL 14 HG21 VAL 14 7.687 -9.365 19.260 117 HG22 VAL 14 HG22 VAL 14 7.284 -10.304 17.823 118 HG23 VAL 14 HG23 VAL 14 8.918 -9.675 18.036 119 H VAL 15 H VAL 15 8.917 -5.538 18.285 120 HA VAL 15 HA VAL 15 10.672 -6.514 20.222 121 HB VAL 15 HB VAL 15 10.404 -3.696 19.167 122 HG11 VAL 15 HG11 VAL 15 12.551 -5.007 20.816 123 HG12 VAL 15 HG12 VAL 15 12.827 -3.543 19.870 124 HG13 VAL 15 HG13 VAL 15 11.642 -3.540 21.176 125 HG21 VAL 15 HG21 VAL 15 11.605 -4.316 17.372 126 HG22 VAL 15 HG22 VAL 15 12.638 -5.395 18.309 127 HG23 VAL 15 HG23 VAL 15 11.049 -5.940 17.774 128 H ASP 16 H ASP 16 8.314 -3.860 20.442 129 HA ASP 16 HA ASP 16 8.843 -3.090 23.068 130 HB2 ASP 16 HB2 ASP 16 7.349 -1.944 21.333 131 HB3 ASP 16 HB3 ASP 16 6.086 -3.058 21.850 132 H ARG 17 H ARG 17 6.802 -5.664 21.804 133 HA ARG 17 HA ARG 17 5.643 -6.328 24.334 134 HB2 ARG 17 HB2 ARG 17 5.505 -7.318 21.577 135 HB3 ARG 17 HB3 ARG 17 5.374 -8.585 22.789 136 HG2 ARG 17 HG2 ARG 17 3.662 -6.110 22.689 137 HG3 ARG 17 HG3 ARG 17 3.192 -7.700 22.084 138 HD2 ARG 17 HD2 ARG 17 3.820 -6.938 24.932 139 HD3 ARG 17 HD3 ARG 17 2.251 -7.399 24.272 140 HE ARG 17 HE ARG 17 3.978 -9.515 23.798 141 HH11 ARG 17 HH11 ARG 17 2.648 -7.830 26.538 142 HH12 ARG 17 HH12 ARG 17 2.694 -9.215 27.578 143 HH21 ARG 17 HH21 ARG 17 4.044 -11.346 25.156 144 HH22 ARG 17 HH22 ARG 17 3.490 -11.214 26.791 145 H LEU 18 H LEU 18 8.288 -7.636 22.374 146 HA LEU 18 HA LEU 18 8.898 -9.869 23.926 147 HB2 LEU 18 HB2 LEU 18 10.516 -8.113 22.121 148 HB3 LEU 18 HB3 LEU 18 11.283 -9.422 23.017 149 HG LEU 18 HG LEU 18 8.900 -10.094 21.377 150 HD11 LEU 18 HD11 LEU 18 11.618 -9.535 20.199 151 HD12 LEU 18 HD12 LEU 18 10.136 -8.634 19.880 152 HD13 LEU 18 HD13 LEU 18 10.274 -10.314 19.363 153 HD21 LEU 18 HD21 LEU 18 10.581 -12.031 20.891 154 HD22 LEU 18 HD22 LEU 18 9.747 -11.950 22.443 155 HD23 LEU 18 HD23 LEU 18 11.417 -11.399 22.310 156 H ALA 19 H ALA 19 9.858 -6.500 24.286 157 HA ALA 19 HA ALA 19 11.840 -6.787 26.225 158 HB1 ALA 19 HB1 ALA 19 11.256 -4.689 24.995 159 HB2 ALA 19 HB2 ALA 19 9.873 -4.510 26.075 160 HB3 ALA 19 HB3 ALA 19 11.512 -4.479 26.727 161 H ARG 20 H ARG 20 8.326 -6.488 26.588 162 HA ARG 20 HA ARG 20 8.354 -6.479 29.430 163 HB2 ARG 20 HB2 ARG 20 6.228 -6.921 27.355 164 HB3 ARG 20 HB3 ARG 20 5.881 -7.175 29.061 165 HG2 ARG 20 HG2 ARG 20 6.578 -4.852 29.515 166 HG3 ARG 20 HG3 ARG 20 6.814 -4.615 27.782 167 HD2 ARG 20 HD2 ARG 20 4.672 -3.752 28.267 168 HD3 ARG 20 HD3 ARG 20 4.400 -5.312 27.493 169 HE ARG 20 HE ARG 20 4.481 -5.464 30.357 170 HH11 ARG 20 HH11 ARG 20 2.468 -4.806 27.594 171 HH12 ARG 20 HH12 ARG 20 0.993 -5.205 28.410 172 HH21 ARG 20 HH21 ARG 20 2.545 -5.992 31.442 173 HH22 ARG 20 HH22 ARG 20 1.038 -5.879 30.599 174 H TYR 21 H TYR 21 8.114 -8.998 26.991 175 HA TYR 21 HA TYR 21 8.322 -11.001 29.140 176 HB2 TYR 21 HB2 TYR 21 6.629 -11.079 26.648 177 HB3 TYR 21 HB3 TYR 21 7.057 -12.539 27.533 178 HD1 TYR 21 HD1 TYR 21 5.662 -9.138 28.240 179 HD2 TYR 21 HD2 TYR 21 5.527 -13.309 29.072 180 HE1 TYR 21 HE1 TYR 21 3.761 -8.768 29.756 181 HE2 TYR 21 HE2 TYR 21 3.625 -12.950 30.589 182 HH TYR 21 HH TYR 21 2.753 -9.976 31.772 183 HA PRO 22 HA PRO 22 11.905 -11.358 26.208 184 HB2 PRO 22 HB2 PRO 22 13.776 -11.606 28.161 185 HB3 PRO 22 HB3 PRO 22 13.227 -10.041 27.550 186 HG2 PRO 22 HG2 PRO 22 12.398 -11.504 30.026 187 HG3 PRO 22 HG3 PRO 22 12.756 -9.781 29.812 188 HD2 PRO 22 HD2 PRO 22 10.227 -10.743 29.897 189 HD3 PRO 22 HD3 PRO 22 10.679 -9.331 28.921 190 H GLY 23 H GLY 23 10.696 -13.428 25.840 191 HA2 GLY 23 HA2 GLY 23 11.988 -15.667 25.737 192 HA3 GLY 23 HA3 GLY 23 11.715 -15.652 27.473 193 H TYR 24 H TYR 24 9.501 -14.624 24.912 194 HA TYR 24 HA TYR 24 7.559 -16.574 25.930 195 HB2 TYR 24 HB2 TYR 24 7.200 -13.942 25.591 196 HB3 TYR 24 HB3 TYR 24 6.745 -14.483 23.979 197 HD1 TYR 24 HD1 TYR 24 4.456 -14.536 23.738 198 HD2 TYR 24 HD2 TYR 24 6.150 -15.816 27.425 199 HE1 TYR 24 HE1 TYR 24 2.212 -15.114 24.562 200 HE2 TYR 24 HE2 TYR 24 3.911 -16.399 28.259 201 HH TYR 24 HH TYR 24 1.545 -17.065 26.867 202 H GLU 25 H GLU 25 6.945 -18.264 24.744 203 HA GLU 25 HA GLU 25 8.248 -18.963 22.358 204 HB2 GLU 25 HB2 GLU 25 5.696 -20.032 23.572 205 HB3 GLU 25 HB3 GLU 25 6.531 -20.774 22.215 206 HG2 GLU 25 HG2 GLU 25 8.532 -21.029 23.668 207 HG3 GLU 25 HG3 GLU 25 7.563 -20.445 25.020 208 H VAL 26 H VAL 26 5.159 -17.404 22.972 209 HA VAL 26 HA VAL 26 4.211 -17.552 20.288 210 HB VAL 26 HB VAL 26 3.382 -15.552 22.392 211 HG11 VAL 26 HG11 VAL 26 1.451 -15.212 21.151 212 HG12 VAL 26 HG12 VAL 26 2.694 -15.348 19.906 213 HG13 VAL 26 HG13 VAL 26 1.640 -16.719 20.255 214 HG21 VAL 26 HG21 VAL 26 3.017 -17.522 23.526 215 HG22 VAL 26 HG22 VAL 26 1.488 -17.335 22.667 216 HG23 VAL 26 HG23 VAL 26 2.715 -18.442 22.051 217 H LEU 27 H LEU 27 6.085 -15.211 22.120 218 HA LEU 27 HA LEU 27 5.949 -13.113 20.215 219 HB2 LEU 27 HB2 LEU 27 7.840 -13.730 22.467 220 HB3 LEU 27 HB3 LEU 27 8.039 -12.315 21.436 221 HG LEU 27 HG LEU 27 5.563 -12.858 23.067 222 HD11 LEU 27 HD11 LEU 27 8.131 -12.075 23.973 223 HD12 LEU 27 HD12 LEU 27 6.623 -12.165 24.882 224 HD13 LEU 27 HD13 LEU 27 7.070 -10.669 24.061 225 HD21 LEU 27 HD21 LEU 27 5.730 -11.268 20.954 226 HD22 LEU 27 HD22 LEU 27 6.415 -10.166 22.149 227 HD23 LEU 27 HD23 LEU 27 4.796 -10.826 22.383 228 H LEU 28 H LEU 28 8.469 -15.527 20.925 229 HA LEU 28 HA LEU 28 10.181 -14.741 18.814 230 HB2 LEU 28 HB2 LEU 28 11.257 -16.955 19.190 231 HB3 LEU 28 HB3 LEU 28 11.096 -15.961 20.637 232 HG LEU 28 HG LEU 28 8.877 -17.440 20.885 233 HD11 LEU 28 HD11 LEU 28 8.815 -19.291 19.668 234 HD12 LEU 28 HD12 LEU 28 10.460 -19.717 20.140 235 HD13 LEU 28 HD13 LEU 28 10.185 -18.677 18.743 236 HD21 LEU 28 HD21 LEU 28 10.489 -17.228 22.626 237 HD22 LEU 28 HD22 LEU 28 11.688 -18.143 21.711 238 HD23 LEU 28 HD23 LEU 28 10.250 -18.952 22.337 239 H SER 29 H SER 29 7.566 -17.079 19.056 240 HA SER 29 HA SER 29 7.986 -18.472 16.673 241 HB2 SER 29 HB2 SER 29 6.384 -19.455 18.039 242 HB3 SER 29 HB3 SER 29 5.578 -17.922 18.370 243 HG SER 29 HG SER 29 4.405 -19.308 16.926 244 H ALA 30 H ALA 30 5.999 -15.588 17.289 245 HA ALA 30 HA ALA 30 5.323 -15.270 14.515 246 HB1 ALA 30 HB1 ALA 30 4.076 -13.383 15.177 247 HB2 ALA 30 HB2 ALA 30 3.904 -14.551 16.488 248 HB3 ALA 30 HB3 ALA 30 5.010 -13.188 16.661 249 H GLU 31 H GLU 31 7.687 -13.909 16.730 250 HA GLU 31 HA GLU 31 8.545 -11.772 15.100 251 HB2 GLU 31 HB2 GLU 31 9.125 -11.745 17.416 252 HB3 GLU 31 HB3 GLU 31 9.915 -13.311 17.302 253 HG2 GLU 31 HG2 GLU 31 11.633 -12.320 15.854 254 HG3 GLU 31 HG3 GLU 31 10.855 -10.748 16.034 255 H LYS 32 H LYS 32 9.410 -15.165 15.231 256 HA LYS 32 HA LYS 32 11.706 -14.949 13.549 257 HB2 LYS 32 HB2 LYS 32 10.013 -17.245 14.500 258 HB3 LYS 32 HB3 LYS 32 11.285 -17.490 13.311 259 HG2 LYS 32 HG2 LYS 32 11.752 -16.229 16.001 260 HG3 LYS 32 HG3 LYS 32 11.931 -17.956 15.681 261 HD2 LYS 32 HD2 LYS 32 13.473 -17.122 13.732 262 HD3 LYS 32 HD3 LYS 32 13.579 -15.660 14.716 263 HE2 LYS 32 HE2 LYS 32 14.187 -18.446 15.699 264 HE3 LYS 32 HE3 LYS 32 15.400 -17.287 15.155 265 HZ1 LYS 32 HZ1 LYS 32 14.579 -17.548 17.694 266 HZ2 LYS 32 HZ2 LYS 32 13.587 -16.283 17.169 267 HZ3 LYS 32 HZ3 LYS 32 15.269 -16.140 17.058 268 H GLN 33 H GLN 33 8.285 -15.523 13.024 269 HA GLN 33 HA GLN 33 8.461 -16.374 10.336 270 HB2 GLN 33 HB2 GLN 33 6.337 -15.497 12.177 271 HB3 GLN 33 HB3 GLN 33 6.006 -15.193 10.476 272 HG2 GLN 33 HG2 GLN 33 6.641 -17.845 11.747 273 HG3 GLN 33 HG3 GLN 33 5.085 -17.315 11.110 274 HE21 GLN 33 HE21 GLN 33 7.899 -18.979 10.452 275 HE22 GLN 33 HE22 GLN 33 7.748 -19.089 8.734 276 H LEU 34 H LEU 34 7.781 -13.183 11.757 277 HA LEU 34 HA LEU 34 7.424 -11.723 9.444 278 HB2 LEU 34 HB2 LEU 34 7.655 -9.844 10.727 279 HB3 LEU 34 HB3 LEU 34 7.328 -11.055 11.965 280 HG LEU 34 HG LEU 34 9.986 -11.152 12.019 281 HD11 LEU 34 HD11 LEU 34 10.779 -9.615 10.567 282 HD12 LEU 34 HD12 LEU 34 10.504 -8.526 11.926 283 HD13 LEU 34 HD13 LEU 34 9.314 -8.635 10.629 284 HD21 LEU 34 HD21 LEU 34 7.997 -10.199 13.647 285 HD22 LEU 34 HD22 LEU 34 9.046 -8.794 13.458 286 HD23 LEU 34 HD23 LEU 34 9.705 -10.311 14.071 287 H GLN 35 H GLN 35 10.376 -12.950 10.835 288 HA GLN 35 HA GLN 35 12.165 -11.345 9.312 289 HB2 GLN 35 HB2 GLN 35 12.588 -14.012 10.669 290 HB3 GLN 35 HB3 GLN 35 13.870 -13.014 9.997 291 HG2 GLN 35 HG2 GLN 35 12.038 -11.819 12.010 292 HG3 GLN 35 HG3 GLN 35 13.281 -12.946 12.550 293 HE21 GLN 35 HE21 GLN 35 12.593 -9.787 11.451 294 HE22 GLN 35 HE22 GLN 35 14.203 -9.166 11.514 295 H TYR 36 H TYR 36 10.656 -14.487 8.826 296 HA TYR 36 HA TYR 36 12.165 -15.311 6.603 297 HB2 TYR 36 HB2 TYR 36 10.847 -16.958 7.671 298 HB3 TYR 36 HB3 TYR 36 9.386 -15.985 7.551 299 HD1 TYR 36 HD1 TYR 36 11.923 -16.965 4.991 300 HD2 TYR 36 HD2 TYR 36 7.863 -17.144 6.250 301 HE1 TYR 36 HE1 TYR 36 11.332 -18.120 2.902 302 HE2 TYR 36 HE2 TYR 36 7.261 -18.300 4.165 303 HH TYR 36 HH TYR 36 9.396 -18.523 1.505 304 H ILE 37 H ILE 37 8.924 -13.821 6.693 305 HA ILE 37 HA ILE 37 8.513 -13.526 3.984 306 HB ILE 37 HB ILE 37 7.682 -11.585 6.144 307 HG12 ILE 37 HG12 ILE 37 5.494 -13.123 5.407 308 HG13 ILE 37 HG13 ILE 37 6.818 -14.282 5.440 309 HG21 ILE 37 HG21 ILE 37 6.994 -11.853 3.262 310 HG22 ILE 37 HG22 ILE 37 5.734 -11.349 4.387 311 HG23 ILE 37 HG23 ILE 37 7.215 -10.403 4.241 312 HD11 ILE 37 HD11 ILE 37 5.434 -12.961 7.624 313 HD12 ILE 37 HD12 ILE 37 6.397 -14.439 7.616 314 HD13 ILE 37 HD13 ILE 37 7.190 -12.870 7.759 315 H ARG 38 H ARG 38 10.429 -11.530 6.151 316 HA ARG 38 HA ARG 38 10.900 -9.468 4.212 317 HB2 ARG 38 HB2 ARG 38 10.986 -8.844 6.519 318 HB3 ARG 38 HB3 ARG 38 12.160 -10.104 6.878 319 HG2 ARG 38 HG2 ARG 38 13.810 -8.934 5.477 320 HG3 ARG 38 HG3 ARG 38 12.631 -7.650 5.199 321 HD2 ARG 38 HD2 ARG 38 13.319 -8.441 7.994 322 HD3 ARG 38 HD3 ARG 38 14.429 -7.417 7.085 323 HE ARG 38 HE ARG 38 11.722 -6.474 7.031 324 HH11 ARG 38 HH11 ARG 38 14.690 -6.499 8.851 325 HH12 ARG 38 HH12 ARG 38 14.346 -5.018 9.681 326 HH21 ARG 38 HH21 ARG 38 11.258 -4.523 8.117 327 HH22 ARG 38 HH22 ARG 38 12.393 -3.895 9.264 328 H SER 39 H SER 39 12.695 -12.259 5.434 329 HA SER 39 HA SER 39 15.115 -11.774 4.103 330 HB2 SER 39 HB2 SER 39 14.929 -13.429 5.892 331 HB3 SER 39 HB3 SER 39 13.861 -14.416 4.893 332 HG SER 39 HG SER 39 16.499 -14.469 4.983 333 H VAL 40 H VAL 40 12.380 -13.851 3.150 334 HA VAL 40 HA VAL 40 13.371 -14.686 0.688 335 HB VAL 40 HB VAL 40 11.394 -15.698 1.686 336 HG11 VAL 40 HG11 VAL 40 10.484 -13.497 2.538 337 HG12 VAL 40 HG12 VAL 40 9.842 -13.238 0.915 338 HG13 VAL 40 HG13 VAL 40 9.299 -14.619 1.870 339 HG21 VAL 40 HG21 VAL 40 11.755 -15.853 -0.754 340 HG22 VAL 40 HG22 VAL 40 10.050 -15.936 -0.310 341 HG23 VAL 40 HG23 VAL 40 10.716 -14.444 -0.973 342 H LEU 41 H LEU 41 11.701 -11.724 1.579 343 HA LEU 41 HA LEU 41 11.004 -10.725 -0.896 344 HB2 LEU 41 HB2 LEU 41 10.894 -9.785 1.623 345 HB3 LEU 41 HB3 LEU 41 12.205 -8.793 0.987 346 HG LEU 41 HG LEU 41 9.415 -8.963 -0.153 347 HD11 LEU 41 HD11 LEU 41 10.636 -7.299 1.915 348 HD12 LEU 41 HD12 LEU 41 8.937 -7.593 1.548 349 HD13 LEU 41 HD13 LEU 41 9.840 -6.384 0.635 350 HD21 LEU 41 HD21 LEU 41 10.620 -8.380 -1.998 351 HD22 LEU 41 HD22 LEU 41 11.933 -7.672 -1.057 352 HD23 LEU 41 HD23 LEU 41 10.423 -6.785 -1.272 353 H LEU 42 H LEU 42 14.154 -10.783 0.660 354 HA LEU 42 HA LEU 42 15.343 -9.350 -1.598 355 HB2 LEU 42 HB2 LEU 42 16.287 -10.072 1.148 356 HB3 LEU 42 HB3 LEU 42 17.445 -9.641 -0.109 357 HG LEU 42 HG LEU 42 16.987 -7.725 1.287 358 HD11 LEU 42 HD11 LEU 42 17.109 -7.650 -1.345 359 HD12 LEU 42 HD12 LEU 42 16.778 -6.200 -0.398 360 HD13 LEU 42 HD13 LEU 42 15.453 -7.068 -1.172 361 HD21 LEU 42 HD21 LEU 42 14.842 -6.817 1.649 362 HD22 LEU 42 HD22 LEU 42 14.684 -8.549 1.949 363 HD23 LEU 42 HD23 LEU 42 14.108 -7.860 0.430 364 H ASP 43 H ASP 43 15.362 -12.473 0.012 365 HA ASP 43 HA ASP 43 17.482 -13.591 -1.524 366 HB2 ASP 43 HB2 ASP 43 15.331 -14.761 0.224 367 HB3 ASP 43 HB3 ASP 43 16.425 -15.794 -0.692 368 H ARG 44 H ARG 44 17.383 -15.063 -3.243 369 HA ARG 44 HA ARG 44 14.853 -15.007 -4.754 370 HB2 ARG 44 HB2 ARG 44 16.181 -15.086 -6.805 371 HB3 ARG 44 HB3 ARG 44 16.609 -13.683 -5.835 372 HG2 ARG 44 HG2 ARG 44 18.693 -14.383 -6.367 373 HG3 ARG 44 HG3 ARG 44 18.451 -15.362 -4.919 374 HD2 ARG 44 HD2 ARG 44 19.049 -17.060 -6.271 375 HD3 ARG 44 HD3 ARG 44 17.369 -16.975 -6.798 376 HE ARG 44 HE ARG 44 19.023 -15.225 -8.310 377 HH11 ARG 44 HH11 ARG 44 18.120 -18.566 -7.935 378 HH12 ARG 44 HH12 ARG 44 18.470 -18.981 -9.581 379 HH21 ARG 44 HH21 ARG 44 19.487 -15.758 -10.478 380 HH22 ARG 44 HH22 ARG 44 19.248 -17.383 -11.026 381 H SER 45 H SER 45 17.650 -16.913 -3.803 382 HA SER 45 HA SER 45 16.975 -19.260 -5.232 383 HB2 SER 45 HB2 SER 45 19.228 -18.981 -4.427 384 HB3 SER 45 HB3 SER 45 18.670 -18.840 -2.761 385 HG SER 45 HG SER 45 19.241 -20.915 -2.883 386 H LEU 46 H LEU 46 16.125 -18.053 -2.041 387 HA LEU 46 HA LEU 46 15.068 -20.316 -0.869 388 HB2 LEU 46 HB2 LEU 46 14.566 -17.409 -0.640 389 HB3 LEU 46 HB3 LEU 46 13.342 -18.480 0.039 390 HG LEU 46 HG LEU 46 14.960 -19.451 1.542 391 HD11 LEU 46 HD11 LEU 46 16.898 -19.351 0.031 392 HD12 LEU 46 HD12 LEU 46 17.261 -18.711 1.634 393 HD13 LEU 46 HD13 LEU 46 16.988 -17.608 0.285 394 HD21 LEU 46 HD21 LEU 46 13.844 -17.144 1.950 395 HD22 LEU 46 HD22 LEU 46 15.476 -16.511 1.737 396 HD23 LEU 46 HD23 LEU 46 15.143 -17.679 3.016 397 H ASP 47 H ASP 47 13.014 -21.250 -0.783 398 HA ASP 47 HA ASP 47 11.603 -21.303 -3.255 399 HB2 ASP 47 HB2 ASP 47 11.267 -22.617 -0.588 400 HB3 ASP 47 HB3 ASP 47 9.938 -22.673 -1.743 401 H ARG 48 H ARG 48 9.841 -20.224 -3.897 402 HA ARG 48 HA ARG 48 8.837 -18.098 -2.217 403 HB2 ARG 48 HB2 ARG 48 8.549 -18.881 -5.079 404 HB3 ARG 48 HB3 ARG 48 7.302 -17.864 -4.372 405 HG2 ARG 48 HG2 ARG 48 8.698 -16.260 -5.171 406 HG3 ARG 48 HG3 ARG 48 9.386 -16.468 -3.559 407 HD2 ARG 48 HD2 ARG 48 11.252 -16.525 -4.941 408 HD3 ARG 48 HD3 ARG 48 10.898 -18.232 -4.674 409 HE ARG 48 HE ARG 48 9.670 -17.133 -7.034 410 HH11 ARG 48 HH11 ARG 48 12.516 -18.637 -5.707 411 HH12 ARG 48 HH12 ARG 48 13.059 -19.254 -7.233 412 HH21 ARG 48 HH21 ARG 48 10.375 -17.940 -9.047 413 HH22 ARG 48 HH22 ARG 48 11.842 -18.856 -9.132 414 H SER 49 H SER 49 7.652 -21.125 -3.584 415 HA SER 49 HA SER 49 4.957 -20.933 -3.025 416 HB2 SER 49 HB2 SER 49 4.853 -23.276 -3.230 417 HB3 SER 49 HB3 SER 49 6.264 -22.831 -4.189 418 HG SER 49 HG SER 49 6.273 -24.601 -2.374 419 H ALA 50 H ALA 50 7.622 -21.632 -0.854 420 HA ALA 50 HA ALA 50 6.299 -22.628 1.354 421 HB1 ALA 50 HB1 ALA 50 8.499 -22.658 1.812 422 HB2 ALA 50 HB2 ALA 50 8.816 -21.185 0.894 423 HB3 ALA 50 HB3 ALA 50 8.181 -21.081 2.536 424 H LEU 51 H LEU 51 6.524 -19.309 0.221 425 HA LEU 51 HA LEU 51 5.656 -17.910 2.432 426 HB2 LEU 51 HB2 LEU 51 5.184 -17.487 -0.501 427 HB3 LEU 51 HB3 LEU 51 4.573 -16.358 0.707 428 HG LEU 51 HG LEU 51 7.488 -17.058 0.392 429 HD11 LEU 51 HD11 LEU 51 7.107 -15.976 -1.598 430 HD12 LEU 51 HD12 LEU 51 7.468 -14.617 -0.535 431 HD13 LEU 51 HD13 LEU 51 5.795 -14.997 -0.942 432 HD21 LEU 51 HD21 LEU 51 7.660 -16.007 2.342 433 HD22 LEU 51 HD22 LEU 51 5.955 -15.556 2.320 434 HD23 LEU 51 HD23 LEU 51 7.149 -14.533 1.519 435 H HIS 52 H HIS 52 3.783 -19.811 0.148 436 HA HIS 52 HA HIS 52 1.254 -19.002 1.287 437 HB2 HIS 52 HB2 HIS 52 1.734 -21.292 -0.619 438 HB3 HIS 52 HB3 HIS 52 0.237 -20.402 -0.355 439 HD1 HIS 52 HD1 HIS 52 3.647 -19.993 -1.919 440 HD2 HIS 52 HD2 HIS 52 -0.078 -18.154 -1.905 441 HE1 HIS 52 HE1 HIS 52 3.745 -18.262 -3.740 442 H ARG 53 H ARG 53 3.450 -21.734 1.486 443 HA ARG 53 HA ARG 53 1.780 -23.561 2.785 444 HB2 ARG 53 HB2 ARG 53 4.231 -23.773 1.839 445 HB3 ARG 53 HB3 ARG 53 4.678 -23.397 3.498 446 HG2 ARG 53 HG2 ARG 53 4.430 -25.535 4.002 447 HG3 ARG 53 HG3 ARG 53 2.707 -25.387 3.653 448 HD2 ARG 53 HD2 ARG 53 3.490 -27.164 2.311 449 HD3 ARG 53 HD3 ARG 53 3.298 -25.786 1.228 450 HE ARG 53 HE ARG 53 5.887 -25.610 1.938 451 HH11 ARG 53 HH11 ARG 53 3.947 -28.246 0.751 452 HH12 ARG 53 HH12 ARG 53 5.270 -29.031 -0.047 453 HH21 ARG 53 HH21 ARG 53 7.636 -26.633 0.892 454 HH22 ARG 53 HH22 ARG 53 7.367 -28.113 0.034 455 H LEU 54 H LEU 54 3.927 -21.069 4.116 456 HA LEU 54 HA LEU 54 3.681 -21.608 6.810 457 HB2 LEU 54 HB2 LEU 54 4.461 -19.459 7.215 458 HB3 LEU 54 HB3 LEU 54 5.084 -19.836 5.610 459 HG LEU 54 HG LEU 54 2.855 -18.574 4.881 460 HD11 LEU 54 HD11 LEU 54 2.762 -18.218 7.616 461 HD12 LEU 54 HD12 LEU 54 1.884 -17.279 6.409 462 HD13 LEU 54 HD13 LEU 54 3.434 -16.700 7.020 463 HD21 LEU 54 HD21 LEU 54 5.293 -18.067 4.388 464 HD22 LEU 54 HD22 LEU 54 5.248 -16.997 5.790 465 HD23 LEU 54 HD23 LEU 54 4.189 -16.692 4.412 466 H THR 55 H THR 55 2.350 -20.740 8.471 467 HA THR 55 HA THR 55 -0.064 -19.323 7.831 468 HB THR 55 HB THR 55 -0.488 -22.077 8.967 469 HG1 THR 55 HG1 THR 55 -0.820 -21.363 6.231 470 HG21 THR 55 HG21 THR 55 -2.788 -21.660 8.063 471 HG22 THR 55 HG22 THR 55 -2.273 -20.020 7.667 472 HG23 THR 55 HG23 THR 55 -2.299 -20.555 9.347 473 H LEU 56 H LEU 56 0.901 -17.936 9.408 474 HA LEU 56 HA LEU 56 0.495 -18.883 12.167 475 HB2 LEU 56 HB2 LEU 56 2.906 -18.541 11.450 476 HB3 LEU 56 HB3 LEU 56 2.530 -16.822 11.362 477 HG LEU 56 HG LEU 56 2.065 -16.770 13.740 478 HD11 LEU 56 HD11 LEU 56 1.319 -18.645 14.680 479 HD12 LEU 56 HD12 LEU 56 3.006 -19.152 14.763 480 HD13 LEU 56 HD13 LEU 56 2.001 -19.653 13.404 481 HD21 LEU 56 HD21 LEU 56 4.668 -18.211 13.272 482 HD22 LEU 56 HD22 LEU 56 4.289 -17.063 14.556 483 HD23 LEU 56 HD23 LEU 56 4.399 -16.512 12.884 484 H GLY 57 H GLY 57 0.138 -17.054 13.728 485 HA2 GLY 57 HA2 GLY 57 -0.496 -14.674 13.917 486 HA3 GLY 57 HA3 GLY 57 -1.394 -14.889 12.422 487 H SER 58 H SER 58 -2.415 -17.519 13.213 488 HA SER 58 HA SER 58 -4.862 -16.799 14.274 489 HB2 SER 58 HB2 SER 58 -3.437 -19.465 14.329 490 HB3 SER 58 HB3 SER 58 -5.117 -19.253 14.820 491 HG SER 58 HG SER 58 -4.762 -19.888 12.575 492 H ILE 59 H ILE 59 -1.882 -17.535 15.909 493 HA ILE 59 HA ILE 59 -3.072 -17.865 18.504 494 HB ILE 59 HB ILE 59 -0.788 -17.865 19.361 495 HG12 ILE 59 HG12 ILE 59 -0.016 -17.161 16.521 496 HG13 ILE 59 HG13 ILE 59 0.171 -16.131 17.937 497 HG21 ILE 59 HG21 ILE 59 -1.885 -19.690 17.534 498 HG22 ILE 59 HG22 ILE 59 -0.179 -19.539 17.114 499 HG23 ILE 59 HG23 ILE 59 -0.646 -19.996 18.752 500 HD11 ILE 59 HD11 ILE 59 1.740 -18.513 17.103 501 HD12 ILE 59 HD12 ILE 59 2.289 -16.947 17.700 502 HD13 ILE 59 HD13 ILE 59 1.608 -18.128 18.818 503 H ALA 60 H ALA 60 -1.636 -15.242 16.676 504 HA ALA 60 HA ALA 60 -1.537 -13.429 18.905 505 HB1 ALA 60 HB1 ALA 60 0.073 -13.018 17.252 506 HB2 ALA 60 HB2 ALA 60 -1.114 -13.109 15.950 507 HB3 ALA 60 HB3 ALA 60 -1.116 -11.730 17.050 508 H VAL 61 H VAL 61 -3.702 -14.005 16.175 509 HA VAL 61 HA VAL 61 -5.371 -11.760 16.589 510 HB VAL 61 HB VAL 61 -5.307 -13.090 14.485 511 HG11 VAL 61 HG11 VAL 61 -6.950 -15.083 16.043 512 HG12 VAL 61 HG12 VAL 61 -6.556 -15.162 14.325 513 HG13 VAL 61 HG13 VAL 61 -5.279 -15.318 15.532 514 HG21 VAL 61 HG21 VAL 61 -7.360 -11.691 15.553 515 HG22 VAL 61 HG22 VAL 61 -7.369 -12.369 13.925 516 HG23 VAL 61 HG23 VAL 61 -8.146 -13.240 15.247 517 H LYS 62 H LYS 62 -5.112 -14.800 18.180 518 HA LYS 62 HA LYS 62 -7.729 -14.471 19.460 519 HB2 LYS 62 HB2 LYS 62 -7.207 -16.687 18.525 520 HB3 LYS 62 HB3 LYS 62 -5.791 -16.791 19.563 521 HG2 LYS 62 HG2 LYS 62 -7.326 -18.037 20.731 522 HG3 LYS 62 HG3 LYS 62 -7.507 -16.452 21.487 523 HD2 LYS 62 HD2 LYS 62 -9.701 -17.221 21.092 524 HD3 LYS 62 HD3 LYS 62 -9.381 -16.036 19.824 525 HE2 LYS 62 HE2 LYS 62 -8.831 -17.864 18.278 526 HE3 LYS 62 HE3 LYS 62 -9.188 -19.034 19.547 527 HZ1 LYS 62 HZ1 LYS 62 -10.967 -18.220 17.744 528 HZ2 LYS 62 HZ2 LYS 62 -11.288 -17.115 18.983 529 HZ3 LYS 62 HZ3 LYS 62 -11.391 -18.776 19.285 530 H GLU 63 H GLU 63 -4.360 -15.203 20.379 531 HA GLU 63 HA GLU 63 -4.800 -14.655 23.140 532 HB2 GLU 63 HB2 GLU 63 -2.174 -14.741 21.646 533 HB3 GLU 63 HB3 GLU 63 -2.397 -14.892 23.384 534 HG2 GLU 63 HG2 GLU 63 -3.586 -16.825 21.419 535 HG3 GLU 63 HG3 GLU 63 -1.978 -17.027 22.113 536 H PHE 64 H PHE 64 -3.078 -12.880 20.576 537 HA PHE 64 HA PHE 64 -2.983 -10.514 22.283 538 HB2 PHE 64 HB2 PHE 64 -1.786 -11.013 19.549 539 HB3 PHE 64 HB3 PHE 64 -1.533 -9.569 20.524 540 HD1 PHE 64 HD1 PHE 64 0.262 -12.066 19.411 541 HD2 PHE 64 HD2 PHE 64 -1.107 -10.664 23.190 542 HE1 PHE 64 HE1 PHE 64 2.182 -13.149 20.505 543 HE2 PHE 64 HE2 PHE 64 0.811 -11.744 24.289 544 HZ PHE 64 HZ PHE 64 2.459 -12.988 22.947 545 H ASP 65 H ASP 65 -5.532 -11.394 21.303 546 HA ASP 65 HA ASP 65 -6.342 -9.858 19.055 547 HB2 ASP 65 HB2 ASP 65 -7.486 -11.916 20.166 548 HB3 ASP 65 HB3 ASP 65 -8.234 -10.721 21.222 549 H GLU 66 H GLU 66 -7.000 -9.426 22.537 550 HA GLU 66 HA GLU 66 -7.550 -6.589 21.997 551 HB2 GLU 66 HB2 GLU 66 -8.265 -8.213 24.444 552 HB3 GLU 66 HB3 GLU 66 -8.758 -6.559 24.109 553 HG2 GLU 66 HG2 GLU 66 -10.151 -7.247 22.316 554 HG3 GLU 66 HG3 GLU 66 -9.499 -8.884 22.356 555 H THR 67 H THR 67 -5.648 -8.786 23.972 556 HA THR 67 HA THR 67 -4.503 -6.954 25.738 557 HB THR 67 HB THR 67 -2.803 -8.569 26.172 558 HG1 THR 67 HG1 THR 67 -2.032 -9.128 24.186 559 HG21 THR 67 HG21 THR 67 -5.185 -9.173 26.750 560 HG22 THR 67 HG22 THR 67 -4.071 -10.534 26.620 561 HG23 THR 67 HG23 THR 67 -5.195 -10.185 25.307 562 H ASP 68 H ASP 68 -3.522 -7.917 22.479 563 HA ASP 68 HA ASP 68 -2.004 -5.456 22.220 564 HB2 ASP 68 HB2 ASP 68 -0.547 -7.490 23.100 565 HB3 ASP 68 HB3 ASP 68 -0.549 -7.928 21.394 566 HA PRO 69 HA PRO 69 -4.342 -6.678 18.429 567 HB2 PRO 69 HB2 PRO 69 -5.285 -4.179 17.941 568 HB3 PRO 69 HB3 PRO 69 -6.093 -5.316 19.028 569 HG2 PRO 69 HG2 PRO 69 -4.266 -3.037 19.687 570 HG3 PRO 69 HG3 PRO 69 -5.777 -3.524 20.477 571 HD2 PRO 69 HD2 PRO 69 -3.341 -4.139 21.487 572 HD3 PRO 69 HD3 PRO 69 -4.753 -5.198 21.686 573 H GLU 70 H GLU 70 -2.164 -3.995 19.121 574 HA GLU 70 HA GLU 70 -1.607 -3.196 16.499 575 HB2 GLU 70 HB2 GLU 70 -0.362 -2.862 19.142 576 HB3 GLU 70 HB3 GLU 70 0.762 -2.760 17.793 577 HG2 GLU 70 HG2 GLU 70 -0.312 -0.907 16.879 578 HG3 GLU 70 HG3 GLU 70 -1.782 -1.183 17.812 579 H LEU 71 H LEU 71 -0.286 -5.799 18.456 580 HA LEU 71 HA LEU 71 1.780 -6.464 16.575 581 HB2 LEU 71 HB2 LEU 71 0.916 -7.336 19.207 582 HB3 LEU 71 HB3 LEU 71 1.384 -8.686 18.176 583 HG LEU 71 HG LEU 71 3.536 -7.273 17.767 584 HD11 LEU 71 HD11 LEU 71 4.170 -5.801 19.511 585 HD12 LEU 71 HD12 LEU 71 2.748 -6.212 20.470 586 HD13 LEU 71 HD13 LEU 71 2.568 -5.291 18.976 587 HD21 LEU 71 HD21 LEU 71 3.859 -9.316 18.785 588 HD22 LEU 71 HD22 LEU 71 2.805 -8.927 20.144 589 HD23 LEU 71 HD23 LEU 71 4.410 -8.203 20.037 590 H SER 72 H SER 72 -1.290 -7.974 17.559 591 HA SER 72 HA SER 72 -1.222 -10.125 15.780 592 HB2 SER 72 HB2 SER 72 -2.862 -10.325 17.418 593 HB3 SER 72 HB3 SER 72 -3.426 -8.669 17.200 594 HG SER 72 HG SER 72 -4.918 -9.586 16.036 595 H ARG 73 H ARG 73 -2.569 -6.870 15.385 596 HA ARG 73 HA ARG 73 -3.693 -7.256 12.841 597 HB2 ARG 73 HB2 ARG 73 -2.724 -4.816 14.310 598 HB3 ARG 73 HB3 ARG 73 -3.365 -4.705 12.677 599 HG2 ARG 73 HG2 ARG 73 -4.959 -6.087 14.783 600 HG3 ARG 73 HG3 ARG 73 -4.915 -4.323 14.734 601 HD2 ARG 73 HD2 ARG 73 -5.715 -4.341 12.444 602 HD3 ARG 73 HD3 ARG 73 -5.679 -6.103 12.422 603 HE ARG 73 HE ARG 73 -7.677 -6.122 13.540 604 HH11 ARG 73 HH11 ARG 73 -6.269 -2.947 13.772 605 HH12 ARG 73 HH12 ARG 73 -7.673 -2.235 14.497 606 HH21 ARG 73 HH21 ARG 73 -9.531 -5.197 14.494 607 HH22 ARG 73 HH22 ARG 73 -9.527 -3.516 14.908 608 H ALA 74 H ALA 74 -0.453 -6.310 13.859 609 HA ALA 74 HA ALA 74 0.484 -5.741 11.218 610 HB1 ALA 74 HB1 ALA 74 2.625 -5.449 12.199 611 HB2 ALA 74 HB2 ALA 74 1.448 -4.809 13.346 612 HB3 ALA 74 HB3 ALA 74 2.176 -6.391 13.621 613 H LEU 75 H LEU 75 0.483 -8.559 13.318 614 HA LEU 75 HA LEU 75 2.251 -10.112 11.701 615 HB2 LEU 75 HB2 LEU 75 0.554 -10.550 14.076 616 HB3 LEU 75 HB3 LEU 75 0.891 -11.973 13.092 617 HG LEU 75 HG LEU 75 2.461 -11.819 14.930 618 HD11 LEU 75 HD11 LEU 75 3.181 -12.669 12.687 619 HD12 LEU 75 HD12 LEU 75 4.488 -12.071 13.710 620 HD13 LEU 75 HD13 LEU 75 3.884 -11.080 12.382 621 HD21 LEU 75 HD21 LEU 75 2.572 -9.568 15.510 622 HD22 LEU 75 HD22 LEU 75 2.909 -9.057 13.856 623 HD23 LEU 75 HD23 LEU 75 4.152 -9.885 14.794 624 H LYS 76 H LYS 76 -1.268 -10.299 12.260 625 HA LYS 76 HA LYS 76 -1.885 -12.259 10.419 626 HB2 LYS 76 HB2 LYS 76 -4.136 -11.469 10.483 627 HB3 LYS 76 HB3 LYS 76 -3.448 -11.195 12.078 628 HG2 LYS 76 HG2 LYS 76 -3.107 -8.846 11.545 629 HG3 LYS 76 HG3 LYS 76 -3.754 -9.111 9.924 630 HD2 LYS 76 HD2 LYS 76 -5.447 -8.144 11.389 631 HD3 LYS 76 HD3 LYS 76 -5.903 -9.776 10.895 632 HE2 LYS 76 HE2 LYS 76 -5.616 -10.638 12.992 633 HE3 LYS 76 HE3 LYS 76 -4.373 -9.464 13.423 634 HZ1 LYS 76 HZ1 LYS 76 -5.893 -8.201 14.391 635 HZ2 LYS 76 HZ2 LYS 76 -7.050 -9.403 14.114 636 HZ3 LYS 76 HZ3 LYS 76 -6.842 -8.156 12.991 637 H ASP 77 H ASP 77 -1.236 -8.857 9.887 638 HA ASP 77 HA ASP 77 -1.984 -9.004 7.087 639 HB2 ASP 77 HB2 ASP 77 -2.512 -6.920 8.029 640 HB3 ASP 77 HB3 ASP 77 -0.974 -6.814 8.881 641 H ALA 78 H ALA 78 0.880 -9.151 9.056 642 HA ALA 78 HA ALA 78 2.830 -8.570 7.134 643 HB1 ALA 78 HB1 ALA 78 3.954 -8.710 9.056 644 HB2 ALA 78 HB2 ALA 78 2.751 -9.778 9.780 645 HB3 ALA 78 HB3 ALA 78 4.020 -10.447 8.754 646 H TYR 79 H TYR 79 1.708 -11.779 8.228 647 HA TYR 79 HA TYR 79 3.079 -13.185 6.183 648 HB2 TYR 79 HB2 TYR 79 2.236 -15.094 7.141 649 HB3 TYR 79 HB3 TYR 79 2.044 -13.980 8.490 650 HD1 TYR 79 HD1 TYR 79 0.344 -16.056 6.051 651 HD2 TYR 79 HD2 TYR 79 -0.197 -13.046 9.010 652 HE1 TYR 79 HE1 TYR 79 -2.062 -16.560 6.116 653 HE2 TYR 79 HE2 TYR 79 -2.604 -13.543 9.084 654 HH TYR 79 HH TYR 79 -4.313 -14.559 7.844 655 H TYR 80 H TYR 80 -0.095 -11.751 6.421 656 HA TYR 80 HA TYR 80 -1.475 -13.040 4.412 657 HB2 TYR 80 HB2 TYR 80 -2.531 -11.377 5.833 658 HB3 TYR 80 HB3 TYR 80 -1.530 -10.105 5.143 659 HD1 TYR 80 HD1 TYR 80 -4.223 -12.528 4.356 660 HD2 TYR 80 HD2 TYR 80 -2.177 -8.993 3.165 661 HE1 TYR 80 HE1 TYR 80 -5.936 -12.122 2.638 662 HE2 TYR 80 HE2 TYR 80 -3.884 -8.577 1.445 663 HH TYR 80 HH TYR 80 -5.874 -10.738 0.269 664 H VAL 81 H VAL 81 0.327 -9.985 4.001 665 HA VAL 81 HA VAL 81 0.191 -9.907 1.215 666 HB VAL 81 HB VAL 81 0.845 -7.948 2.465 667 HG11 VAL 81 HG11 VAL 81 3.046 -7.781 3.541 668 HG12 VAL 81 HG12 VAL 81 2.041 -9.026 4.286 669 HG13 VAL 81 HG13 VAL 81 3.341 -9.482 3.184 670 HG21 VAL 81 HG21 VAL 81 1.838 -8.603 0.095 671 HG22 VAL 81 HG22 VAL 81 2.294 -7.111 0.916 672 HG23 VAL 81 HG23 VAL 81 3.356 -8.516 0.987 673 H GLY 82 H GLY 82 2.438 -11.547 3.358 674 HA2 GLY 82 HA2 GLY 82 4.463 -12.154 1.522 675 HA3 GLY 82 HA3 GLY 82 4.074 -13.103 2.950 676 H ILE 83 H ILE 83 1.491 -13.926 2.299 677 HA ILE 83 HA ILE 83 2.043 -16.156 0.652 678 HB ILE 83 HB ILE 83 -0.639 -15.090 1.545 679 HG12 ILE 83 HG12 ILE 83 0.935 -17.358 2.759 680 HG13 ILE 83 HG13 ILE 83 1.096 -15.699 3.325 681 HG21 ILE 83 HG21 ILE 83 0.205 -17.654 0.242 682 HG22 ILE 83 HG22 ILE 83 -1.242 -17.569 1.246 683 HG23 ILE 83 HG23 ILE 83 -1.111 -16.565 -0.198 684 HD11 ILE 83 HD11 ILE 83 -1.109 -15.638 4.104 685 HD12 ILE 83 HD12 ILE 83 -1.558 -17.083 3.198 686 HD13 ILE 83 HD13 ILE 83 -0.489 -17.215 4.593 687 H ARG 84 H ARG 84 0.205 -13.174 0.101 688 HA ARG 84 HA ARG 84 -0.654 -13.848 -2.514 689 HB2 ARG 84 HB2 ARG 84 -1.928 -12.160 -1.576 690 HB3 ARG 84 HB3 ARG 84 -0.528 -11.335 -0.902 691 HG2 ARG 84 HG2 ARG 84 -0.721 -11.452 -3.851 692 HG3 ARG 84 HG3 ARG 84 -1.876 -10.420 -3.006 693 HD2 ARG 84 HD2 ARG 84 -0.321 -8.874 -2.637 694 HD3 ARG 84 HD3 ARG 84 0.768 -10.066 -1.930 695 HE ARG 84 HE ARG 84 0.958 -10.461 -4.630 696 HH11 ARG 84 HH11 ARG 84 1.414 -7.759 -2.482 697 HH12 ARG 84 HH12 ARG 84 2.618 -7.005 -3.474 698 HH21 ARG 84 HH21 ARG 84 2.542 -9.478 -5.945 699 HH22 ARG 84 HH22 ARG 84 3.258 -7.984 -5.444 700 H THR 85 H THR 85 2.190 -12.225 -1.240 701 HA THR 85 HA THR 85 3.171 -11.294 -3.741 702 HB THR 85 HB THR 85 5.367 -11.089 -2.510 703 HG1 THR 85 HG1 THR 85 5.258 -11.456 -0.240 704 HG21 THR 85 HG21 THR 85 4.108 -9.543 -0.665 705 HG22 THR 85 HG22 THR 85 2.824 -9.763 -1.854 706 HG23 THR 85 HG23 THR 85 4.371 -9.072 -2.344 707 H GLY 86 H GLY 86 3.475 -14.292 -1.962 708 HA2 GLY 86 HA2 GLY 86 5.706 -15.435 -3.117 709 HA3 GLY 86 HA3 GLY 86 4.290 -16.341 -2.605 710 H ARG 87 H ARG 87 2.491 -15.066 -4.488 711 HA ARG 87 HA ARG 87 3.463 -16.336 -6.962 712 HB2 ARG 87 HB2 ARG 87 1.581 -17.542 -6.023 713 HB3 ARG 87 HB3 ARG 87 0.645 -16.058 -5.907 714 HG2 ARG 87 HG2 ARG 87 0.357 -15.923 -8.226 715 HG3 ARG 87 HG3 ARG 87 1.645 -17.087 -8.538 716 HD2 ARG 87 HD2 ARG 87 0.275 -18.842 -7.477 717 HD3 ARG 87 HD3 ARG 87 -1.020 -17.667 -7.251 718 HE ARG 87 HE ARG 87 -0.557 -17.555 -9.908 719 HH11 ARG 87 HH11 ARG 87 -1.157 -20.184 -7.707 720 HH12 ARG 87 HH12 ARG 87 -1.930 -21.177 -8.898 721 HH21 ARG 87 HH21 ARG 87 -1.573 -18.852 -11.485 722 HH22 ARG 87 HH22 ARG 87 -2.165 -20.419 -11.047 723 H GLY 88 H GLY 88 2.133 -13.479 -5.529 724 HA2 GLY 88 HA2 GLY 88 2.449 -11.336 -6.521 725 HA3 GLY 88 HA3 GLY 88 2.443 -12.101 -8.103 726 H LEU 89 H LEU 89 0.079 -12.713 -5.576 727 HA LEU 89 HA LEU 89 -2.086 -12.183 -7.356 728 HB2 LEU 89 HB2 LEU 89 -1.725 -13.214 -4.649 729 HB3 LEU 89 HB3 LEU 89 -3.194 -12.259 -4.846 730 HG LEU 89 HG LEU 89 -3.642 -14.630 -5.146 731 HD11 LEU 89 HD11 LEU 89 -4.116 -12.604 -7.171 732 HD12 LEU 89 HD12 LEU 89 -5.221 -13.784 -6.468 733 HD13 LEU 89 HD13 LEU 89 -4.186 -14.242 -7.820 734 HD21 LEU 89 HD21 LEU 89 -1.335 -15.182 -5.968 735 HD22 LEU 89 HD22 LEU 89 -1.814 -14.537 -7.538 736 HD23 LEU 89 HD23 LEU 89 -2.650 -15.938 -6.868 737 H LYS 90 H LYS 90 -3.943 -10.742 -6.611 738 HA LYS 90 HA LYS 90 -3.015 -8.064 -6.510 739 HB2 LYS 90 HB2 LYS 90 -5.281 -7.422 -6.660 740 HB3 LYS 90 HB3 LYS 90 -5.166 -8.922 -7.571 741 HG2 LYS 90 HG2 LYS 90 -5.991 -10.122 -5.538 742 HG3 LYS 90 HG3 LYS 90 -6.283 -8.543 -4.804 743 HD2 LYS 90 HD2 LYS 90 -7.644 -8.056 -6.945 744 HD3 LYS 90 HD3 LYS 90 -7.628 -9.807 -7.167 745 HE2 LYS 90 HE2 LYS 90 -8.451 -9.864 -4.705 746 HE3 LYS 90 HE3 LYS 90 -8.889 -8.181 -4.993 747 HZ1 LYS 90 HZ1 LYS 90 -10.245 -10.527 -5.792 748 HZ2 LYS 90 HZ2 LYS 90 -9.830 -9.624 -7.161 749 HZ3 LYS 90 HZ3 LYS 90 -10.743 -8.916 -5.925 750 H VAL 91 H VAL 91 -3.465 -6.469 -4.887 751 HA VAL 91 HA VAL 91 -3.389 -7.600 -2.174 752 HB VAL 91 HB VAL 91 -2.586 -4.811 -3.000 753 HG11 VAL 91 HG11 VAL 91 -1.525 -4.683 -0.863 754 HG12 VAL 91 HG12 VAL 91 -3.183 -5.231 -0.608 755 HG13 VAL 91 HG13 VAL 91 -1.850 -6.385 -0.539 756 HG21 VAL 91 HG21 VAL 91 -0.308 -6.304 -2.334 757 HG22 VAL 91 HG22 VAL 91 -1.233 -7.303 -3.456 758 HG23 VAL 91 HG23 VAL 91 -0.753 -5.670 -3.919 759 H ASP 92 H ASP 92 -4.911 -7.112 -0.702 760 HA ASP 92 HA ASP 92 -6.566 -4.792 -0.857 761 HB2 ASP 92 HB2 ASP 92 -7.490 -6.524 -2.587 762 HB3 ASP 92 HB3 ASP 92 -8.116 -7.341 -1.157 763 H LEU 93 H LEU 93 -7.250 -4.281 1.131 764 HA LEU 93 HA LEU 93 -7.643 -6.385 3.117 765 HB2 LEU 93 HB2 LEU 93 -5.558 -4.272 3.193 766 HB3 LEU 93 HB3 LEU 93 -6.374 -4.677 4.701 767 HG LEU 93 HG LEU 93 -5.690 -7.141 3.918 768 HD11 LEU 93 HD11 LEU 93 -4.555 -6.751 1.939 769 HD12 LEU 93 HD12 LEU 93 -3.249 -6.842 3.120 770 HD13 LEU 93 HD13 LEU 93 -3.805 -5.272 2.539 771 HD21 LEU 93 HD21 LEU 93 -3.450 -6.560 5.209 772 HD22 LEU 93 HD22 LEU 93 -5.011 -6.617 6.027 773 HD23 LEU 93 HD23 LEU 93 -4.325 -5.066 5.542 774 HA PRO 94 HA PRO 94 -10.986 -3.919 4.528 775 HB2 PRO 94 HB2 PRO 94 -10.920 -4.319 7.212 776 HB3 PRO 94 HB3 PRO 94 -11.429 -5.566 6.068 777 HG2 PRO 94 HG2 PRO 94 -8.782 -5.200 7.415 778 HG3 PRO 94 HG3 PRO 94 -9.706 -6.690 7.151 779 HD2 PRO 94 HD2 PRO 94 -7.608 -5.982 5.593 780 HD3 PRO 94 HD3 PRO 94 -8.999 -6.891 4.967
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