NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
605990 | 5l3l | 34000 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 HA ALA 1 HA ALA 1 -2.447 21.822 2.347 2 HB1 ALA 1 1HB ALA 1 -0.304 19.693 2.893 3 HB2 ALA 1 2HB ALA 1 -1.817 19.452 2.002 4 HB3 ALA 1 3HB ALA 1 -0.553 20.494 1.330 5 H TYR 2 H TYR 2 -4.017 20.534 3.264 6 HA TYR 2 HA TYR 2 -4.136 20.766 6.150 7 HB2 TYR 2 1HB TYR 2 -6.042 21.066 4.467 8 HB3 TYR 2 2HB TYR 2 -6.085 19.302 4.364 9 HD1 TYR 2 1HD TYR 2 -6.715 22.242 6.543 10 HD2 TYR 2 2HD TYR 2 -6.937 17.956 6.235 11 HE1 TYR 2 1HE TYR 2 -8.200 22.172 8.551 12 HE2 TYR 2 2HE TYR 2 -8.420 17.897 8.250 13 HH TYR 2 HH TYR 2 -9.474 19.116 9.873 14 H ARG 3 H ARG 3 -3.246 18.331 3.944 15 HA ARG 3 HA ARG 3 -3.619 16.082 5.786 16 HB2 ARG 3 1HB ARG 3 -2.091 16.325 3.180 17 HB3 ARG 3 2HB ARG 3 -2.214 14.838 4.106 18 HG2 ARG 3 1HG ARG 3 -4.668 14.873 3.834 19 HG3 ARG 3 2HG ARG 3 -4.518 16.314 2.801 20 HD2 ARG 3 1HD ARG 3 -3.151 15.077 1.203 21 HD3 ARG 3 2HD ARG 3 -3.108 13.662 2.264 22 HE ARG 3 HE ARG 3 -5.316 14.523 0.534 23 HH11 ARG 3 1HH1 ARG 3 -4.322 12.321 3.115 24 HH12 ARG 3 2HH1 ARG 3 -5.660 11.247 2.826 25 HH21 ARG 3 1HH2 ARG 3 -6.995 13.114 0.253 26 HH22 ARG 3 2HH2 ARG 3 -7.140 11.691 1.238 27 HA PRO 4 HA PRO 4 0.266 16.821 7.709 28 HB2 PRO 4 1HB PRO 4 0.798 14.437 8.910 29 HB3 PRO 4 2HB PRO 4 -0.530 15.507 9.441 30 HG2 PRO 4 1HG PRO 4 -0.628 13.064 7.704 31 HG3 PRO 4 2HG PRO 4 -1.705 13.535 9.053 32 HD2 PRO 4 1HD PRO 4 -2.289 13.919 6.380 33 HD3 PRO 4 2HD PRO 4 -2.959 14.942 7.688 34 H SER 5 H SER 5 2.461 16.500 7.489 35 HA SER 5 HA SER 5 3.266 15.014 5.051 36 HB2 SER 5 1HB SER 5 4.853 16.991 6.730 37 HB3 SER 5 2HB SER 5 5.249 16.409 5.096 38 HG SER 5 HG SER 5 4.225 18.454 5.043 39 H GLU 6 H GLU 6 2.663 13.515 7.384 40 HA GLU 6 HA GLU 6 5.087 12.982 8.873 41 HB2 GLU 6 1HB GLU 6 3.775 11.354 10.058 42 HB3 GLU 6 2HB GLU 6 2.800 12.804 9.804 43 HG2 GLU 6 1HG GLU 6 1.691 11.641 7.862 44 HG3 GLU 6 2HG GLU 6 2.581 10.178 8.301 45 HE2 GLU 6 HE2 GLU 6 0.333 9.300 10.585 46 H THR 7 H THR 7 3.920 11.793 5.890 47 HA THR 7 HA THR 7 4.376 10.047 4.528 48 HB THR 7 HB THR 7 6.730 9.127 4.461 49 HG1 THR 7 1HG THR 7 6.803 10.306 6.900 50 HG21 THR 7 1HG2 THR 7 7.742 11.208 3.702 51 HG22 THR 7 2HG2 THR 7 6.491 12.155 4.541 52 HG23 THR 7 3HG2 THR 7 6.053 11.112 3.161 53 H LEU 8 H LEU 8 5.258 7.669 4.363 54 HA LEU 8 HA LEU 8 4.406 6.201 6.817 55 HB2 LEU 8 1HB LEU 8 2.469 6.589 5.337 56 HB3 LEU 8 2HB LEU 8 3.317 5.809 4.021 57 HG LEU 8 HG LEU 8 3.283 3.704 5.302 58 HD11 LEU 8 1HD1 LEU 8 1.629 5.324 7.276 59 HD12 LEU 8 2HD1 LEU 8 3.157 4.475 7.601 60 HD13 LEU 8 3HD1 LEU 8 1.687 3.549 7.244 61 HD21 LEU 8 1HD2 LEU 8 0.558 5.006 4.991 62 HD22 LEU 8 2HD2 LEU 8 0.956 3.282 4.862 63 HD23 LEU 8 3HD2 LEU 8 1.549 4.409 3.637 64 H CYS 9 H CYS 9 6.070 4.992 7.294 65 HA CYS 9 HA CYS 9 7.567 3.627 5.090 66 HB2 CYS 9 1HB CYS 9 8.734 4.965 7.554 67 HB3 CYS 9 2HB CYS 9 9.648 4.173 6.267 68 H GLY 10 H GLY 10 9.016 1.879 5.891 69 HA2 GLY 10 1HA GLY 10 9.518 0.044 7.176 70 HA3 GLY 10 2HA GLY 10 8.893 0.948 8.556 71 H GLY 11 H GLY 11 7.956 -0.776 9.572 72 HA2 GLY 11 1HA GLY 11 6.265 -2.658 8.248 73 HA3 GLY 11 2HA GLY 11 6.355 -2.374 9.994 74 H GLU 12 H GLU 12 5.635 0.581 9.472 75 HA GLU 12 HA GLU 12 2.787 0.226 9.797 76 HB2 GLU 12 1HB GLU 12 4.472 2.701 9.294 77 HB3 GLU 12 2HB GLU 12 2.743 2.721 9.665 78 HG2 GLU 12 1HG GLU 12 3.182 1.626 11.835 79 HG3 GLU 12 2HG GLU 12 4.912 1.579 11.468 80 H LEU 13 H LEU 13 4.894 0.819 7.032 81 HA LEU 13 HA LEU 13 2.759 1.676 5.257 82 HB2 LEU 13 1HB LEU 13 5.146 2.127 4.826 83 HB3 LEU 13 2HB LEU 13 5.470 0.404 4.704 84 HG LEU 13 HG LEU 13 4.243 0.224 2.647 85 HD11 LEU 13 1HD1 LEU 13 3.283 2.210 1.529 86 HD12 LEU 13 2HD1 LEU 13 3.570 3.161 2.997 87 HD13 LEU 13 3HD1 LEU 13 2.421 1.799 3.015 88 HD21 LEU 13 1HD2 LEU 13 6.077 2.650 2.722 89 HD22 LEU 13 2HD2 LEU 13 5.626 1.754 1.261 90 HD23 LEU 13 3HD2 LEU 13 6.564 0.944 2.533 91 H VAL 14 H VAL 14 4.295 -1.409 6.152 92 HA VAL 14 HA VAL 14 2.835 -3.045 4.287 93 HB VAL 14 HB VAL 14 4.121 -3.785 6.966 94 HG11 VAL 14 1HG1 VAL 14 3.239 -5.517 4.637 95 HG12 VAL 14 2HG1 VAL 14 4.205 -6.087 6.016 96 HG13 VAL 14 3HG1 VAL 14 2.547 -5.510 6.273 97 HG21 VAL 14 1HG2 VAL 14 5.227 -3.924 4.125 98 HG22 VAL 14 2HG2 VAL 14 5.762 -2.805 5.402 99 HG23 VAL 14 3HG2 VAL 14 6.038 -4.549 5.580 100 H ASP 15 H ASP 15 2.305 -2.063 7.678 101 HA ASP 15 HA ASP 15 -0.047 -3.568 8.206 102 HB2 ASP 15 1HB ASP 15 1.287 -2.309 9.883 103 HB3 ASP 15 2HB ASP 15 0.769 -0.790 9.146 104 H THR 16 H THR 16 0.362 -0.266 6.835 105 HA THR 16 HA THR 16 -2.421 0.210 6.442 106 HB THR 16 HB THR 16 -0.095 1.271 4.784 107 HG1 THR 16 1HG THR 16 0.102 1.638 7.065 108 HG21 THR 16 1HG2 THR 16 -1.630 3.263 4.545 109 HG22 THR 16 2HG2 THR 16 -2.929 2.289 5.274 110 HG23 THR 16 3HG2 THR 16 -2.214 1.807 3.714 111 H LEU 17 H LEU 17 0.024 -1.362 4.308 112 HA LEU 17 HA LEU 17 -1.711 -1.571 2.037 113 HB2 LEU 17 1HB LEU 17 0.697 -3.109 2.996 114 HB3 LEU 17 2HB LEU 17 -0.195 -3.643 1.574 115 HG LEU 17 HG LEU 17 0.739 -0.787 1.735 116 HD11 LEU 17 1HD1 LEU 17 2.850 -1.416 0.687 117 HD12 LEU 17 2HD1 LEU 17 2.440 -3.137 0.860 118 HD13 LEU 17 3HD1 LEU 17 2.701 -2.128 2.302 119 HD21 LEU 17 1HD2 LEU 17 -0.780 -1.594 -0.113 120 HD22 LEU 17 2HD2 LEU 17 0.500 -2.721 -0.611 121 HD23 LEU 17 3HD2 LEU 17 0.777 -0.967 -0.687 122 H GLN 18 H GLN 18 -1.244 -3.669 4.893 123 HA GLN 18 HA GLN 18 -3.054 -5.727 3.954 124 HB2 GLN 18 1HB GLN 18 -2.075 -4.961 6.727 125 HB3 GLN 18 2HB GLN 18 -3.106 -6.362 6.398 126 HG2 GLN 18 1HG GLN 18 -1.395 -7.317 4.941 127 HG3 GLN 18 2HG GLN 18 -0.358 -5.911 5.196 128 HE21 GLN 18 1HE2 GLN 18 1.096 -8.242 7.481 129 HE22 GLN 18 2HE2 GLN 18 1.103 -7.761 5.801 130 H PHE 19 H PHE 19 -3.463 -2.763 5.937 131 HA PHE 19 HA PHE 19 -6.211 -3.257 6.591 132 HB2 PHE 19 1HB PHE 19 -4.824 -1.603 7.749 133 HB3 PHE 19 2HB PHE 19 -4.666 -0.661 6.265 134 HD1 PHE 19 1HD PHE 19 -7.130 -1.820 8.818 135 HD2 PHE 19 2HD PHE 19 -6.309 0.912 5.598 136 HE1 PHE 19 1HE PHE 19 -9.206 -0.556 9.369 137 HE2 PHE 19 2HE PHE 19 -8.375 2.194 6.148 138 HZ PHE 19 HZ PHE 19 -9.832 1.458 8.032 139 H VAL 20 H VAL 20 -4.707 -1.475 3.860 140 HA VAL 20 HA VAL 20 -7.254 -0.604 2.808 141 HB VAL 20 HB VAL 20 -4.456 -0.689 1.576 142 HG11 VAL 20 1HG1 VAL 20 -6.992 0.627 0.502 143 HG12 VAL 20 2HG1 VAL 20 -5.347 0.943 -0.107 144 HG13 VAL 20 3HG1 VAL 20 -6.056 -0.674 -0.270 145 HG21 VAL 20 1HG2 VAL 20 -4.583 1.793 1.974 146 HG22 VAL 20 2HG2 VAL 20 -6.131 1.541 2.810 147 HG23 VAL 20 3HG2 VAL 20 -4.642 0.847 3.472 148 H CYS 21 H CYS 21 -5.114 -3.389 2.032 149 HA CYS 21 HA CYS 21 -7.022 -4.079 -0.133 150 HB2 CYS 21 1HB CYS 21 -4.404 -4.057 -0.287 151 HB3 CYS 21 2HB CYS 21 -4.565 -5.686 0.405 152 H GLY 22 H GLY 22 -6.397 -5.076 3.124 153 HA2 GLY 22 1HA GLY 22 -7.473 -6.693 4.347 154 HA3 GLY 22 2HA GLY 22 -8.527 -6.990 2.958 155 H ASP 23 H ASP 23 -8.587 -9.135 2.966 156 HA ASP 23 HA ASP 23 -6.304 -10.839 3.439 157 HB2 ASP 23 1HB ASP 23 -7.868 -12.629 2.937 158 HB3 ASP 23 2HB ASP 23 -8.695 -11.422 3.934 159 H ARG 24 H ARG 24 -7.301 -9.095 0.699 160 HA ARG 24 HA ARG 24 -6.864 -11.125 -1.281 161 HB2 ARG 24 1HB ARG 24 -6.799 -8.123 -1.670 162 HB3 ARG 24 2HB ARG 24 -7.151 -9.365 -2.880 163 HG2 ARG 24 1HG ARG 24 -9.102 -10.014 -1.209 164 HG3 ARG 24 2HG ARG 24 -8.859 -8.365 -0.601 165 HD2 ARG 24 1HD ARG 24 -10.508 -8.137 -2.239 166 HD3 ARG 24 2HD ARG 24 -9.011 -7.652 -3.072 167 HE ARG 24 HE ARG 24 -9.434 -10.469 -3.350 168 HH11 ARG 24 1HH1 ARG 24 -10.682 -7.423 -4.606 169 HH12 ARG 24 2HH1 ARG 24 -11.245 -8.149 -6.086 170 HH21 ARG 24 1HH2 ARG 24 -10.174 -11.336 -5.246 171 HH22 ARG 24 2HH2 ARG 24 -10.949 -10.337 -6.445 172 H GLY 25 H GLY 25 -4.612 -9.237 0.478 173 HA2 GLY 25 1HA GLY 25 -2.296 -9.538 0.401 174 HA3 GLY 25 2HA GLY 25 -2.461 -10.415 -1.127 175 H PHE 26 H PHE 26 -0.396 -8.695 -0.921 176 HA PHE 26 HA PHE 26 -1.121 -6.529 -2.792 177 HB2 PHE 26 1HB PHE 26 -0.092 -4.815 -1.378 178 HB3 PHE 26 2HB PHE 26 -1.469 -5.549 -0.550 179 HD1 PHE 26 1HD PHE 26 -1.168 -6.953 1.427 180 HD2 PHE 26 2HD PHE 26 2.218 -5.227 -0.592 181 HE1 PHE 26 1HE PHE 26 0.287 -7.564 3.345 182 HE2 PHE 26 2HE PHE 26 3.680 -5.829 1.327 183 HZ PHE 26 HZ PHE 26 2.716 -7.020 3.293 184 H TYR 27 H TYR 27 0.868 -5.358 -3.500 185 HA TYR 27 HA TYR 27 3.265 -7.163 -3.435 186 HB2 TYR 27 1HB TYR 27 2.320 -5.232 -5.584 187 HB3 TYR 27 2HB TYR 27 3.851 -6.118 -5.615 188 HD1 TYR 27 1HD TYR 27 0.789 -6.131 -7.129 189 HD2 TYR 27 2HD TYR 27 3.280 -8.844 -4.898 190 HE1 TYR 27 1HE TYR 27 -0.306 -8.074 -8.244 191 HE2 TYR 27 2HE TYR 27 2.157 -10.775 -6.002 192 HH TYR 27 HH TYR 27 0.534 -11.450 -7.475 193 H PHE 28 H PHE 28 5.346 -6.007 -3.570 194 HA PHE 28 HA PHE 28 5.218 -3.354 -2.194 195 HB2 PHE 28 1HB PHE 28 5.757 -5.619 -0.882 196 HB3 PHE 28 2HB PHE 28 7.370 -5.349 -1.550 197 HD1 PHE 28 1HD PHE 28 4.655 -3.769 0.487 198 HD2 PHE 28 2HD PHE 28 8.846 -3.772 -0.504 199 HE1 PHE 28 1HE PHE 28 5.092 -2.171 2.348 200 HE2 PHE 28 2HE PHE 28 9.289 -2.198 1.368 201 HZ PHE 28 HZ PHE 28 7.407 -1.385 2.796 202 H SER 29 H SER 29 7.638 -2.468 -2.125 203 HA SER 29 HA SER 29 8.395 -1.893 -4.797 204 HB2 SER 29 1HB SER 29 10.142 -1.783 -2.307 205 HB3 SER 29 2HB SER 29 10.367 -0.856 -3.806 206 HG SER 29 HG SER 29 9.302 0.201 -1.949 207 H ARG 30 H ARG 30 9.613 -2.963 -6.238 208 HA ARG 30 HA ARG 30 10.814 -5.454 -5.473 209 HB2 ARG 30 1HB ARG 30 9.981 -4.282 -7.911 210 HB3 ARG 30 2HB ARG 30 11.665 -4.788 -8.082 211 HG2 ARG 30 1HG ARG 30 9.428 -6.584 -7.115 212 HG3 ARG 30 2HG ARG 30 10.011 -6.495 -8.785 213 HD2 ARG 30 1HD ARG 30 12.289 -7.150 -7.977 214 HD3 ARG 30 2HD ARG 30 11.606 -7.383 -6.354 215 HE ARG 30 HE ARG 30 10.068 -8.859 -8.256 216 HH11 ARG 30 1HH1 ARG 30 13.223 -9.000 -6.673 217 HH12 ARG 30 2HH1 ARG 30 13.330 -10.731 -6.840 218 HH21 ARG 30 1HH2 ARG 30 10.280 -11.066 -8.433 219 HH22 ARG 30 2HH2 ARG 30 11.694 -11.875 -7.818 220 HA PRO 31 HA PRO 31 14.946 -3.659 -6.337 221 HB2 PRO 31 1HB PRO 31 15.401 -1.046 -6.911 222 HB3 PRO 31 2HB PRO 31 14.750 -2.173 -8.148 223 HG2 PRO 31 1HG PRO 31 13.271 -0.213 -6.396 224 HG3 PRO 31 2HG PRO 31 13.137 -0.471 -8.163 225 HD2 PRO 31 1HD PRO 31 11.422 -1.631 -6.305 226 HD3 PRO 31 2HD PRO 31 11.800 -2.391 -7.875 227 H ALA 32 H ALA 32 16.561 -3.045 -4.880 228 HA ALA 32 HA ALA 32 16.053 -0.949 -2.862 229 HB1 ALA 32 1HB ALA 32 16.728 -3.840 -2.092 230 HB2 ALA 32 2HB ALA 32 16.655 -2.452 -0.980 231 HB3 ALA 32 3HB ALA 32 15.175 -3.024 -1.781 232 H SER 33 H SER 33 17.678 -1.431 -5.271 233 HA SER 33 HA SER 33 20.342 -2.209 -4.318 234 HB2 SER 33 1HB SER 33 20.882 -2.051 -6.742 235 HB3 SER 33 2HB SER 33 19.493 -3.106 -6.415 236 HG SER 33 HG SER 33 19.391 -0.384 -7.275 237 H ARG 34 H ARG 34 22.176 -0.979 -4.359 238 HA ARG 34 HA ARG 34 21.982 1.895 -4.171 239 HB2 ARG 34 1HB ARG 34 23.905 -0.140 -3.662 240 HB3 ARG 34 2HB ARG 34 24.617 0.887 -4.908 241 HG2 ARG 34 1HG ARG 34 25.376 1.903 -3.005 242 HG3 ARG 34 2HG ARG 34 23.912 2.850 -3.323 243 HD2 ARG 34 1HD ARG 34 22.673 1.573 -1.655 244 HD3 ARG 34 2HD ARG 34 24.040 0.458 -1.444 245 HE ARG 34 HE ARG 34 24.912 3.123 -0.933 246 HH11 ARG 34 1HH1 ARG 34 22.952 0.604 0.585 247 HH12 ARG 34 2HH1 ARG 34 23.294 1.181 2.193 248 HH21 ARG 34 1HH2 ARG 34 25.287 3.808 1.150 249 HH22 ARG 34 2HH2 ARG 34 24.589 2.964 2.502 250 H VAL 35 H VAL 35 22.554 -0.399 -6.754 251 HA VAL 35 HA VAL 35 23.607 1.618 -8.587 252 HB VAL 35 HB VAL 35 23.683 -0.253 -10.226 253 HG11 VAL 35 1HG1 VAL 35 25.412 -1.570 -9.107 254 HG12 VAL 35 2HG1 VAL 35 25.569 0.139 -8.652 255 HG13 VAL 35 3HG1 VAL 35 24.849 -1.021 -7.514 256 HG21 VAL 35 1HG2 VAL 35 23.048 -2.509 -9.650 257 HG22 VAL 35 2HG2 VAL 35 22.659 -2.048 -7.983 258 HG23 VAL 35 3HG2 VAL 35 21.642 -1.473 -9.325 259 H SER 36 H SER 36 22.688 1.747 -10.817 260 HA SER 36 HA SER 36 20.087 2.848 -10.637 261 HB2 SER 36 1HB SER 36 20.663 2.619 -13.336 262 HB3 SER 36 2HB SER 36 21.199 3.930 -12.265 263 HG SER 36 HG SER 36 22.953 2.922 -13.374 264 H ARG 37 H ARG 37 18.612 1.264 -9.984 265 HA ARG 37 HA ARG 37 17.591 -0.376 -12.285 266 HB2 ARG 37 1HB ARG 37 17.603 -1.139 -9.339 267 HB3 ARG 37 2HB ARG 37 16.764 -2.033 -10.605 268 HG2 ARG 37 1HG ARG 37 19.777 -1.632 -10.617 269 HG3 ARG 37 2HG ARG 37 18.984 -2.977 -9.789 270 HD2 ARG 37 1HD ARG 37 19.322 -4.045 -11.751 271 HD3 ARG 37 2HD ARG 37 17.818 -3.233 -12.218 272 HE ARG 37 HE ARG 37 19.756 -1.399 -12.898 273 HH11 ARG 37 1HH1 ARG 37 19.316 -4.818 -13.736 274 HH12 ARG 37 2HH1 ARG 37 20.148 -4.639 -15.255 275 HH21 ARG 37 1HH2 ARG 37 20.781 -1.264 -14.839 276 HH22 ARG 37 2HH2 ARG 37 20.970 -2.661 -15.867 277 H ARG 38 H ARG 38 16.646 2.016 -12.299 278 HA ARG 38 HA ARG 38 14.707 2.773 -10.332 279 HB2 ARG 38 1HB ARG 38 14.960 3.458 -13.289 280 HB3 ARG 38 2HB ARG 38 13.735 4.166 -12.232 281 HG2 ARG 38 1HG ARG 38 15.489 5.158 -10.821 282 HG3 ARG 38 2HG ARG 38 16.740 4.464 -11.878 283 HD2 ARG 38 1HD ARG 38 15.852 5.736 -13.792 284 HD3 ARG 38 2HD ARG 38 14.549 6.387 -12.776 285 HE ARG 38 HE ARG 38 17.002 7.056 -11.544 286 HH11 ARG 38 1HH1 ARG 38 15.272 7.880 -14.515 287 HH12 ARG 38 2HH1 ARG 38 16.006 9.456 -14.613 288 HH21 ARG 38 1HH2 ARG 38 17.878 9.103 -11.730 289 HH22 ARG 38 2HH2 ARG 38 17.448 10.131 -13.067 290 H SER 39 H SER 39 12.592 2.299 -10.055 291 HA SER 39 HA SER 39 10.953 1.094 -12.118 292 HB2 SER 39 1HB SER 39 12.317 -0.881 -11.207 293 HB3 SER 39 2HB SER 39 11.520 -0.593 -9.646 294 HG SER 39 HG SER 39 10.538 -2.166 -11.194 295 H ARG 40 H ARG 40 8.815 0.358 -10.722 296 HA ARG 40 HA ARG 40 8.138 2.726 -9.083 297 HB2 ARG 40 1HB ARG 40 5.881 1.918 -9.119 298 HB3 ARG 40 2HB ARG 40 6.512 1.768 -10.759 299 HG2 ARG 40 1HG ARG 40 6.751 -0.647 -10.511 300 HG3 ARG 40 2HG ARG 40 6.383 -0.546 -8.781 301 HD2 ARG 40 1HD ARG 40 4.395 -1.308 -9.821 302 HD3 ARG 40 2HD ARG 40 4.115 0.388 -9.388 303 HE ARG 40 HE ARG 40 5.082 0.276 -12.061 304 HH11 ARG 40 1HH1 ARG 40 2.167 -0.585 -10.258 305 HH12 ARG 40 2HH1 ARG 40 1.144 -0.431 -11.656 306 HH21 ARG 40 1HH2 ARG 40 3.702 0.459 -13.806 307 HH22 ARG 40 2HH2 ARG 40 2.000 0.157 -13.622 308 H GLY 41 H GLY 41 7.023 2.331 -6.939 309 HA2 GLY 41 1HA GLY 41 7.198 -0.130 -5.600 310 HA3 GLY 41 2HA GLY 41 8.675 0.779 -5.209 311 H ILE 42 H ILE 42 6.038 0.010 -3.750 312 HA ILE 42 HA ILE 42 4.600 2.382 -3.253 313 HB ILE 42 HB ILE 42 3.851 0.031 -2.792 314 HG12 ILE 42 1HG1 ILE 42 2.786 0.591 -0.516 315 HG13 ILE 42 2HG1 ILE 42 3.648 2.123 -0.629 316 HG21 ILE 42 1HG2 ILE 42 5.980 -0.755 -1.698 317 HG22 ILE 42 2HG2 ILE 42 5.536 0.189 -0.263 318 HG23 ILE 42 3HG2 ILE 42 4.508 -1.153 -0.795 319 HD11 ILE 42 1HD1 ILE 42 1.435 1.070 -2.393 320 HD12 ILE 42 2HD1 ILE 42 1.521 2.591 -1.484 321 HD13 ILE 42 3HD1 ILE 42 2.495 2.386 -2.939 322 H VAL 43 H VAL 43 7.624 1.229 -1.845 323 HA VAL 43 HA VAL 43 7.657 3.071 0.382 324 HB VAL 43 HB VAL 43 9.947 1.727 -1.146 325 HG11 VAL 43 1HG1 VAL 43 9.977 3.104 1.582 326 HG12 VAL 43 2HG1 VAL 43 11.320 2.173 0.879 327 HG13 VAL 43 3HG1 VAL 43 10.793 3.682 0.114 328 HG21 VAL 43 1HG2 VAL 43 8.640 0.988 1.497 329 HG22 VAL 43 2HG2 VAL 43 8.354 0.161 -0.047 330 HG23 VAL 43 3HG2 VAL 43 9.966 0.124 0.691 331 H GLU 44 H GLU 44 8.567 3.303 -3.045 332 HA GLU 44 HA GLU 44 10.070 5.729 -2.781 333 HB2 GLU 44 1HB GLU 44 9.409 3.888 -4.801 334 HB3 GLU 44 2HB GLU 44 8.824 5.466 -5.355 335 HG2 GLU 44 1HG GLU 44 11.071 6.407 -4.793 336 HG3 GLU 44 2HG GLU 44 11.619 4.753 -4.462 337 H GLU 45 H GLU 45 6.651 5.051 -3.159 338 HA GLU 45 HA GLU 45 6.137 7.917 -3.675 339 HB2 GLU 45 1HB GLU 45 3.862 7.148 -4.224 340 HB3 GLU 45 2HB GLU 45 5.131 6.390 -5.193 341 HG2 GLU 45 1HG GLU 45 5.027 4.464 -3.526 342 HG3 GLU 45 2HG GLU 45 3.510 5.176 -2.975 343 H CYS 46 H CYS 46 5.671 5.501 -1.098 344 HA CYS 46 HA CYS 46 4.004 7.487 0.356 345 HB2 CYS 46 1HB CYS 46 4.648 4.587 0.942 346 HB3 CYS 46 2HB CYS 46 3.630 5.621 1.944 347 H CYS 47 H CYS 47 7.274 6.272 0.413 348 HA CYS 47 HA CYS 47 7.601 7.429 3.155 349 HB2 CYS 47 1HB CYS 47 8.083 4.995 2.917 350 HB3 CYS 47 2HB CYS 47 9.345 5.389 1.748 351 H PHE 48 H PHE 48 9.314 7.091 -0.019 352 HA PHE 48 HA PHE 48 11.147 9.270 0.660 353 HB2 PHE 48 1HB PHE 48 10.484 7.853 -1.937 354 HB3 PHE 48 2HB PHE 48 11.601 9.211 -1.848 355 HD1 PHE 48 1HD PHE 48 13.716 9.029 -0.542 356 HD2 PHE 48 2HD PHE 48 11.164 5.638 -1.212 357 HE1 PHE 48 1HE PHE 48 15.595 7.499 0.036 358 HE2 PHE 48 2HE PHE 48 13.028 4.108 -0.690 359 HZ PHE 48 HZ PHE 48 15.259 5.028 -0.047 360 H ARG 49 H ARG 49 8.037 8.901 -0.879 361 HA ARG 49 HA ARG 49 7.753 11.888 -0.945 362 HB2 ARG 49 1HB ARG 49 6.597 9.822 -2.863 363 HB3 ARG 49 2HB ARG 49 6.094 11.513 -2.809 364 HG2 ARG 49 1HG ARG 49 8.289 12.249 -3.445 365 HG3 ARG 49 2HG ARG 49 8.908 10.584 -3.395 366 HD2 ARG 49 1HD ARG 49 7.349 9.938 -5.173 367 HD3 ARG 49 2HD ARG 49 6.709 11.597 -5.222 368 HE ARG 49 HE ARG 49 9.516 11.723 -5.563 369 HH11 ARG 49 1HH1 ARG 49 6.710 10.561 -7.359 370 HH12 ARG 49 2HH1 ARG 49 7.467 10.828 -8.906 371 HH21 ARG 49 1HH2 ARG 49 10.423 12.038 -7.569 372 HH22 ARG 49 2HH2 ARG 49 9.541 11.644 -9.018 373 H SER 50 H SER 50 5.031 12.009 -1.198 374 HA SER 50 HA SER 50 3.996 10.264 1.007 375 HB2 SER 50 1HB SER 50 4.074 12.695 1.604 376 HB3 SER 50 2HB SER 50 3.042 13.044 0.201 377 HG SER 50 HG SER 50 1.390 11.895 1.151 378 H CYS 51 H CYS 51 1.975 9.295 0.604 379 HA CYS 51 HA CYS 51 1.074 9.405 -2.245 380 HB2 CYS 51 1HB CYS 51 0.682 6.997 -2.098 381 HB3 CYS 51 2HB CYS 51 2.373 7.371 -1.762 382 H ASP 52 H ASP 52 -1.174 8.435 -2.476 383 HA ASP 52 HA ASP 52 -2.861 9.280 -0.159 384 HB2 ASP 52 1HB ASP 52 -2.866 10.323 -2.747 385 HB3 ASP 52 2HB ASP 52 -4.228 9.207 -2.732 386 H LEU 53 H LEU 53 -5.024 8.219 -0.142 387 HA LEU 53 HA LEU 53 -4.690 5.434 0.149 388 HB2 LEU 53 1HB LEU 53 -6.405 6.798 1.283 389 HB3 LEU 53 2HB LEU 53 -7.226 7.057 -0.254 390 HG LEU 53 HG LEU 53 -7.747 4.639 -0.387 391 HD11 LEU 53 1HD1 LEU 53 -5.933 3.684 0.918 392 HD12 LEU 53 2HD1 LEU 53 -7.483 3.250 1.658 393 HD13 LEU 53 3HD1 LEU 53 -6.489 4.537 2.379 394 HD21 LEU 53 1HD2 LEU 53 -9.456 4.652 1.371 395 HD22 LEU 53 2HD2 LEU 53 -9.338 6.241 0.591 396 HD23 LEU 53 3HD2 LEU 53 -8.616 5.984 2.199 397 H ALA 54 H ALA 54 -6.135 7.208 -2.613 398 HA ALA 54 HA ALA 54 -7.139 4.824 -3.891 399 HB1 ALA 54 1HB ALA 54 -6.404 7.532 -5.101 400 HB2 ALA 54 2HB ALA 54 -7.384 6.271 -5.886 401 HB3 ALA 54 3HB ALA 54 -7.990 7.089 -4.425 402 H LEU 55 H LEU 55 -4.076 6.576 -4.037 403 HA LEU 55 HA LEU 55 -2.984 5.055 -6.224 404 HB2 LEU 55 1HB LEU 55 -2.028 7.174 -5.773 405 HB3 LEU 55 2HB LEU 55 -1.906 6.848 -4.051 406 HG LEU 55 HG LEU 55 -0.098 5.287 -4.401 407 HD11 LEU 55 1HD1 LEU 55 -0.518 5.890 -7.342 408 HD12 LEU 55 2HD1 LEU 55 -0.480 4.310 -6.510 409 HD13 LEU 55 3HD1 LEU 55 1.006 5.238 -6.690 410 HD21 LEU 55 1HD2 LEU 55 1.588 6.876 -4.990 411 HD22 LEU 55 2HD2 LEU 55 0.305 7.703 -4.097 412 HD23 LEU 55 3HD2 LEU 55 0.409 7.887 -5.863 413 H LEU 56 H LEU 56 -2.748 4.861 -2.637 414 HA LEU 56 HA LEU 56 -0.883 2.763 -2.590 415 HB2 LEU 56 1HB LEU 56 -1.784 4.259 -0.707 416 HB3 LEU 56 2HB LEU 56 -3.086 3.080 -0.528 417 HG LEU 56 HG LEU 56 -0.293 2.040 -0.579 418 HD11 LEU 56 1HD1 LEU 56 -1.436 3.567 1.781 419 HD12 LEU 56 2HD1 LEU 56 -0.058 4.053 0.769 420 HD13 LEU 56 3HD1 LEU 56 0.066 2.604 1.785 421 HD21 LEU 56 1HD2 LEU 56 -2.172 0.499 -0.230 422 HD22 LEU 56 2HD2 LEU 56 -2.680 1.437 1.185 423 HD23 LEU 56 3HD2 LEU 56 -1.137 0.575 1.205 424 H GLU 57 H GLU 57 -4.398 2.665 -2.931 425 HA GLU 57 HA GLU 57 -4.780 -0.127 -2.574 426 HB2 GLU 57 1HB GLU 57 -6.483 1.749 -2.698 427 HB3 GLU 57 2HB GLU 57 -6.305 1.711 -4.450 428 HG2 GLU 57 1HG GLU 57 -7.150 -0.550 -4.543 429 HG3 GLU 57 2HG GLU 57 -7.127 -0.672 -2.781 430 HE2 GLU 57 HE2 GLU 57 -8.889 -0.581 -2.050 431 H THR 58 H THR 58 -3.381 1.592 -5.310 432 HA THR 58 HA THR 58 -4.058 -0.416 -7.256 433 HB THR 58 HB THR 58 -2.535 0.700 -8.755 434 HG1 THR 58 1HG THR 58 -1.642 2.204 -6.496 435 HG21 THR 58 1HG2 THR 58 -3.430 2.972 -8.659 436 HG22 THR 58 2HG2 THR 58 -3.843 2.788 -6.941 437 HG23 THR 58 3HG2 THR 58 -4.707 1.839 -8.163 438 H TYR 59 H TYR 59 -1.774 -0.441 -4.709 439 HA TYR 59 HA TYR 59 -0.003 -2.380 -6.071 440 HB2 TYR 59 1HB TYR 59 0.007 -0.995 -3.399 441 HB3 TYR 59 2HB TYR 59 0.991 -2.442 -3.657 442 HD1 TYR 59 1HD TYR 59 0.358 1.000 -5.010 443 HD2 TYR 59 2HD TYR 59 3.048 -2.360 -4.847 444 HE1 TYR 59 1HE TYR 59 2.088 2.316 -6.199 445 HE2 TYR 59 2HE TYR 59 4.800 -0.995 -6.010 446 HH TYR 59 HH TYR 59 4.280 2.473 -6.725 447 H CYS 60 H CYS 60 -3.038 -2.671 -4.949 448 HA CYS 60 HA CYS 60 -2.989 -4.999 -3.290 449 HB2 CYS 60 1HB CYS 60 -4.896 -3.796 -5.289 450 HB3 CYS 60 2HB CYS 60 -5.166 -5.455 -4.748 451 H ALA 61 H ALA 61 -3.081 -7.217 -3.801 452 HA ALA 61 HA ALA 61 -1.644 -7.948 -6.230 453 HB1 ALA 61 1HB ALA 61 -1.251 -9.214 -4.190 454 HB2 ALA 61 2HB ALA 61 -2.983 -9.627 -4.082 455 HB3 ALA 61 3HB ALA 61 -1.994 -10.273 -5.410 456 H THR 62 H THR 62 -2.508 -9.397 -7.871 457 HA THR 62 HA THR 62 -5.044 -8.474 -8.773 458 HB THR 62 HB THR 62 -4.620 -10.161 -10.634 459 HG1 THR 62 1HG THR 62 -3.350 -11.560 -9.221 460 HG21 THR 62 1HG2 THR 62 -2.710 -8.978 -11.579 461 HG22 THR 62 2HG2 THR 62 -2.250 -8.358 -9.980 462 HG23 THR 62 3HG2 THR 62 -3.762 -7.812 -10.747 463 HA PRO 63 HA PRO 63 -7.755 -11.624 -7.093 464 HB2 PRO 63 1HB PRO 63 -8.932 -11.582 -9.870 465 HB3 PRO 63 2HB PRO 63 -9.765 -11.399 -8.296 466 HG2 PRO 63 1HG PRO 63 -9.373 -9.315 -9.870 467 HG3 PRO 63 2HG PRO 63 -9.144 -9.184 -8.099 468 HD2 PRO 63 1HD PRO 63 -7.040 -9.399 -10.253 469 HD3 PRO 63 2HD PRO 63 -7.088 -8.398 -8.767 470 H ALA 64 H ALA 64 -8.042 -13.871 -7.208 471 HA ALA 64 HA ALA 64 -6.607 -15.278 -9.416 472 HB1 ALA 64 1HB ALA 64 -6.165 -17.076 -7.779 473 HB2 ALA 64 2HB ALA 64 -5.500 -15.531 -7.197 474 HB3 ALA 64 3HB ALA 64 -7.022 -16.157 -6.519 475 H LYS 65 H LYS 65 -7.549 -17.415 -9.938 476 HA LYS 65 HA LYS 65 -10.385 -17.808 -9.194 477 HB2 LYS 65 1HB LYS 65 -10.443 -16.334 -11.196 478 HB3 LYS 65 2HB LYS 65 -9.369 -17.443 -12.049 479 HG2 LYS 65 1HG LYS 65 -11.602 -17.766 -12.872 480 HG3 LYS 65 2HG LYS 65 -11.134 -19.199 -11.958 481 HD2 LYS 65 1HD LYS 65 -12.431 -18.303 -9.990 482 HD3 LYS 65 2HD LYS 65 -12.982 -16.962 -11.026 483 HE2 LYS 65 1HE LYS 65 -13.914 -18.639 -12.622 484 HE3 LYS 65 2HE LYS 65 -13.388 -19.936 -11.545 485 HZ1 LYS 65 1HZ LYS 65 -15.702 -19.459 -11.285 486 HZ2 LYS 65 2HZ LYS 65 -15.396 -17.893 -10.862 487 HZ3 LYS 65 3HZ LYS 65 -14.900 -19.128 -9.884 488 H SER 66 H SER 66 -11.000 -20.009 -9.531 489 HA SER 66 HA SER 66 -9.087 -21.865 -10.748 490 HB2 SER 66 1HB SER 66 -8.315 -21.771 -8.372 491 HB3 SER 66 2HB SER 66 -9.970 -22.125 -7.833 492 HG SER 66 HG SER 66 -8.702 -24.015 -7.919 493 H GLU 67 H GLU 67 -10.216 -23.763 -11.352 494 HA GLU 67 HA GLU 67 -13.187 -23.490 -11.241 495 HB2 GLU 67 1HB GLU 67 -11.566 -25.201 -13.192 496 HB3 GLU 67 2HB GLU 67 -13.305 -24.925 -13.213 497 HG2 GLU 67 1HG GLU 67 -11.113 -22.835 -13.704 498 HG3 GLU 67 2HG GLU 67 -12.220 -23.493 -14.902 Start of MODEL 2 1 HA ALA 1 HA ALA 1 -1.594 14.569 18.551 2 HB1 ALA 1 1HB ALA 1 -1.490 16.463 20.141 3 HB2 ALA 1 2HB ALA 1 -0.260 15.648 21.096 4 HB3 ALA 1 3HB ALA 1 0.117 16.200 19.460 5 H TYR 2 H TYR 2 -0.903 12.700 17.721 6 HA TYR 2 HA TYR 2 1.603 11.497 18.792 7 HB2 TYR 2 1HB TYR 2 -0.636 10.237 18.205 8 HB3 TYR 2 2HB TYR 2 -0.018 10.297 16.557 9 HD1 TYR 2 1HD TYR 2 1.273 8.427 15.864 10 HD2 TYR 2 2HD TYR 2 1.169 9.456 20.044 11 HE1 TYR 2 1HE TYR 2 2.743 6.466 16.405 12 HE2 TYR 2 2HE TYR 2 2.632 7.489 20.573 13 HH TYR 2 HH TYR 2 3.693 5.629 19.716 14 H ARG 3 H ARG 3 2.516 10.267 16.434 15 HA ARG 3 HA ARG 3 4.158 12.333 15.379 16 HB2 ARG 3 1HB ARG 3 3.478 9.618 14.200 17 HB3 ARG 3 2HB ARG 3 4.805 10.609 13.648 18 HG2 ARG 3 1HG ARG 3 4.620 9.538 16.489 19 HG3 ARG 3 2HG ARG 3 5.477 8.692 15.179 20 HD2 ARG 3 1HD ARG 3 6.899 10.686 14.812 21 HD3 ARG 3 2HD ARG 3 6.079 11.490 16.166 22 HE ARG 3 HE ARG 3 7.017 9.071 17.167 23 HH11 ARG 3 1HH1 ARG 3 8.536 11.940 15.729 24 HH12 ARG 3 2HH1 ARG 3 10.001 11.712 16.661 25 HH21 ARG 3 1HH2 ARG 3 8.918 8.864 18.295 26 HH22 ARG 3 2HH2 ARG 3 10.235 10.016 18.066 27 HA PRO 4 HA PRO 4 1.543 13.984 12.288 28 HB2 PRO 4 1HB PRO 4 3.301 15.162 10.580 29 HB3 PRO 4 2HB PRO 4 3.066 15.735 12.264 30 HG2 PRO 4 1HG PRO 4 5.197 13.910 11.179 31 HG3 PRO 4 2HG PRO 4 5.396 15.373 12.181 32 HD2 PRO 4 1HD PRO 4 5.377 12.872 13.241 33 HD3 PRO 4 2HD PRO 4 4.667 14.266 14.126 34 H SER 5 H SER 5 0.717 13.716 10.243 35 HA SER 5 HA SER 5 1.219 11.130 9.035 36 HB2 SER 5 1HB SER 5 -0.759 11.936 7.594 37 HB3 SER 5 2HB SER 5 -1.038 11.810 9.338 38 HG SER 5 HG SER 5 -0.651 14.097 7.779 39 H GLU 6 H GLU 6 3.527 12.590 8.557 40 HA GLU 6 HA GLU 6 3.420 14.000 6.014 41 HB2 GLU 6 1HB GLU 6 5.721 12.971 7.682 42 HB3 GLU 6 2HB GLU 6 5.931 13.924 6.212 43 HG2 GLU 6 1HG GLU 6 4.479 14.828 8.711 44 HG3 GLU 6 2HG GLU 6 6.119 15.302 8.246 45 HE2 GLU 6 HE2 GLU 6 3.267 17.475 7.072 46 H THR 7 H THR 7 4.995 10.922 7.042 47 HA THR 7 HA THR 7 4.647 9.893 4.259 48 HB THR 7 HB THR 7 7.070 8.998 4.417 49 HG1 THR 7 1HG THR 7 8.407 10.365 5.814 50 HG21 THR 7 1HG2 THR 7 6.433 10.988 3.036 51 HG22 THR 7 2HG2 THR 7 8.112 10.983 3.594 52 HG23 THR 7 3HG2 THR 7 6.914 12.020 4.400 53 H LEU 8 H LEU 8 5.141 7.565 4.147 54 HA LEU 8 HA LEU 8 4.549 6.192 6.730 55 HB2 LEU 8 1HB LEU 8 2.593 6.520 5.187 56 HB3 LEU 8 2HB LEU 8 3.432 5.595 3.967 57 HG LEU 8 HG LEU 8 3.346 3.632 5.491 58 HD11 LEU 8 1HD1 LEU 8 1.634 5.467 7.153 59 HD12 LEU 8 2HD1 LEU 8 3.142 4.655 7.654 60 HD13 LEU 8 3HD1 LEU 8 1.673 3.690 7.317 61 HD21 LEU 8 1HD2 LEU 8 0.670 4.959 4.890 62 HD22 LEU 8 2HD2 LEU 8 0.986 3.215 5.016 63 HD23 LEU 8 3HD2 LEU 8 1.699 4.139 3.678 64 H CYS 9 H CYS 9 6.201 4.867 7.181 65 HA CYS 9 HA CYS 9 7.632 3.545 4.907 66 HB2 CYS 9 1HB CYS 9 8.922 4.727 7.402 67 HB3 CYS 9 2HB CYS 9 9.752 4.038 5.990 68 H GLY 10 H GLY 10 9.010 1.728 5.617 69 HA2 GLY 10 1HA GLY 10 9.461 -0.177 6.807 70 HA3 GLY 10 2HA GLY 10 8.978 0.704 8.248 71 H GLY 11 H GLY 11 7.974 -0.902 9.303 72 HA2 GLY 11 1HA GLY 11 6.173 -2.747 8.085 73 HA3 GLY 11 2HA GLY 11 6.335 -2.431 9.794 74 H GLU 12 H GLU 12 5.653 0.560 9.215 75 HA GLU 12 HA GLU 12 2.826 0.199 9.737 76 HB2 GLU 12 1HB GLU 12 4.455 2.685 9.072 77 HB3 GLU 12 2HB GLU 12 2.724 2.706 9.463 78 HG2 GLU 12 1HG GLU 12 3.270 1.631 11.673 79 HG3 GLU 12 2HG GLU 12 4.979 1.881 11.301 80 H LEU 13 H LEU 13 4.804 0.799 6.879 81 HA LEU 13 HA LEU 13 2.631 1.603 5.161 82 HB2 LEU 13 1HB LEU 13 5.392 1.396 4.933 83 HB3 LEU 13 2HB LEU 13 4.871 0.013 4.002 84 HG LEU 13 HG LEU 13 4.135 2.913 3.514 85 HD11 LEU 13 1HD1 LEU 13 6.437 2.314 2.944 86 HD12 LEU 13 2HD1 LEU 13 5.475 2.645 1.476 87 HD13 LEU 13 3HD1 LEU 13 5.837 0.974 1.956 88 HD21 LEU 13 1HD2 LEU 13 3.065 2.220 1.453 89 HD22 LEU 13 2HD2 LEU 13 2.219 1.578 2.879 90 HD23 LEU 13 3HD2 LEU 13 3.278 0.517 1.911 91 H VAL 14 H VAL 14 4.150 -1.464 6.049 92 HA VAL 14 HA VAL 14 2.618 -3.146 4.335 93 HB VAL 14 HB VAL 14 3.997 -3.783 6.993 94 HG11 VAL 14 1HG1 VAL 14 2.866 -5.610 4.838 95 HG12 VAL 14 2HG1 VAL 14 3.994 -6.144 6.115 96 HG13 VAL 14 3HG1 VAL 14 2.387 -5.528 6.555 97 HG21 VAL 14 1HG2 VAL 14 5.789 -4.654 5.560 98 HG22 VAL 14 2HG2 VAL 14 4.898 -4.091 4.116 99 HG23 VAL 14 3HG2 VAL 14 5.529 -2.918 5.290 100 H ASP 15 H ASP 15 2.108 -2.032 7.690 101 HA ASP 15 HA ASP 15 -0.179 -3.616 8.285 102 HB2 ASP 15 1HB ASP 15 1.256 -2.203 9.857 103 HB3 ASP 15 2HB ASP 15 0.433 -0.779 9.215 104 H THR 16 H THR 16 0.157 -0.309 6.961 105 HA THR 16 HA THR 16 -2.594 0.204 6.506 106 HB THR 16 HB THR 16 -0.240 1.181 4.865 107 HG1 THR 16 1HG THR 16 0.080 1.617 7.056 108 HG21 THR 16 1HG2 THR 16 -1.700 3.216 4.586 109 HG22 THR 16 2HG2 THR 16 -3.028 2.344 5.400 110 HG23 THR 16 3HG2 THR 16 -2.396 1.761 3.828 111 H LEU 17 H LEU 17 -0.174 -1.396 4.407 112 HA LEU 17 HA LEU 17 -1.896 -1.661 2.130 113 HB2 LEU 17 1HB LEU 17 0.557 -3.086 3.109 114 HB3 LEU 17 2HB LEU 17 -0.299 -3.686 1.698 115 HG LEU 17 HG LEU 17 0.528 -0.794 1.782 116 HD11 LEU 17 1HD1 LEU 17 2.665 -1.355 0.756 117 HD12 LEU 17 2HD1 LEU 17 2.334 -3.096 0.998 118 HD13 LEU 17 3HD1 LEU 17 2.533 -1.998 2.395 119 HD21 LEU 17 1HD2 LEU 17 0.564 -0.988 -0.606 120 HD22 LEU 17 2HD2 LEU 17 -0.961 -1.704 -0.045 121 HD23 LEU 17 3HD2 LEU 17 0.381 -2.760 -0.520 122 H GLN 18 H GLN 18 -1.352 -3.812 5.004 123 HA GLN 18 HA GLN 18 -3.034 -5.932 3.975 124 HB2 GLN 18 1HB GLN 18 -2.246 -5.149 6.802 125 HB3 GLN 18 2HB GLN 18 -3.178 -6.588 6.401 126 HG2 GLN 18 1HG GLN 18 -1.349 -7.482 5.081 127 HG3 GLN 18 2HG GLN 18 -0.383 -6.019 5.326 128 HE21 GLN 18 1HE2 GLN 18 1.084 -8.242 7.742 129 HE22 GLN 18 2HE2 GLN 18 1.122 -7.851 6.023 130 H PHE 19 H PHE 19 -3.691 -2.938 5.868 131 HA PHE 19 HA PHE 19 -6.434 -3.641 6.346 132 HB2 PHE 19 1HB PHE 19 -5.185 -1.883 7.587 133 HB3 PHE 19 2HB PHE 19 -5.166 -0.880 6.139 134 HD1 PHE 19 1HD PHE 19 -7.428 -2.458 8.666 135 HD2 PHE 19 2HD PHE 19 -7.035 0.504 5.575 136 HE1 PHE 19 1HE PHE 19 -9.643 -1.530 9.297 137 HE2 PHE 19 2HE PHE 19 -9.250 1.439 6.183 138 HZ PHE 19 HZ PHE 19 -10.563 0.433 8.040 139 H VAL 20 H VAL 20 -4.944 -1.557 3.789 140 HA VAL 20 HA VAL 20 -7.487 -0.905 2.604 141 HB VAL 20 HB VAL 20 -4.621 -0.717 1.511 142 HG11 VAL 20 1HG1 VAL 20 -6.136 -0.715 -0.371 143 HG12 VAL 20 2HG1 VAL 20 -7.226 0.447 0.418 144 HG13 VAL 20 3HG1 VAL 20 -5.602 0.950 -0.111 145 HG21 VAL 20 1HG2 VAL 20 -4.905 1.714 2.043 146 HG22 VAL 20 2HG2 VAL 20 -6.490 1.352 2.781 147 HG23 VAL 20 3HG2 VAL 20 -5.001 0.691 3.472 148 H CYS 21 H CYS 21 -4.991 -3.385 1.783 149 HA CYS 21 HA CYS 21 -6.579 -4.184 -0.568 150 HB2 CYS 21 1HB CYS 21 -4.070 -5.392 0.628 151 HB3 CYS 21 2HB CYS 21 -4.730 -5.713 -0.976 152 H GLY 22 H GLY 22 -6.362 -5.007 2.745 153 HA2 GLY 22 1HA GLY 22 -7.552 -6.543 3.960 154 HA3 GLY 22 2HA GLY 22 -8.391 -7.043 2.464 155 H ASP 23 H ASP 23 -8.061 -9.170 3.554 156 HA ASP 23 HA ASP 23 -5.423 -10.296 3.716 157 HB2 ASP 23 1HB ASP 23 -7.692 -10.941 4.856 158 HB3 ASP 23 2HB ASP 23 -7.958 -11.893 3.384 159 H ARG 24 H ARG 24 -7.015 -9.354 0.987 160 HA ARG 24 HA ARG 24 -6.529 -11.689 -0.698 161 HB2 ARG 24 1HB ARG 24 -6.780 -8.780 -1.561 162 HB3 ARG 24 2HB ARG 24 -7.053 -10.247 -2.547 163 HG2 ARG 24 1HG ARG 24 -8.813 -10.629 -0.493 164 HG3 ARG 24 2HG ARG 24 -8.827 -8.850 -0.605 165 HD2 ARG 24 1HD ARG 24 -9.343 -10.900 -2.810 166 HD3 ARG 24 2HD ARG 24 -10.514 -9.779 -2.082 167 HE ARG 24 HE ARG 24 -8.392 -8.248 -3.178 168 HH11 ARG 24 1HH1 ARG 24 -11.039 -10.266 -4.311 169 HH12 ARG 24 2HH1 ARG 24 -11.185 -9.427 -5.838 170 HH21 ARG 24 1HH2 ARG 24 -8.557 -7.244 -5.154 171 HH22 ARG 24 2HH2 ARG 24 -9.770 -7.729 -6.299 172 H GLY 25 H GLY 25 -4.433 -9.400 0.684 173 HA2 GLY 25 1HA GLY 25 -2.109 -9.532 0.493 174 HA3 GLY 25 2HA GLY 25 -2.257 -10.452 -1.008 175 H PHE 26 H PHE 26 -0.359 -8.634 -0.960 176 HA PHE 26 HA PHE 26 -1.229 -6.566 -2.847 177 HB2 PHE 26 1HB PHE 26 -0.245 -4.755 -1.483 178 HB3 PHE 26 2HB PHE 26 -1.589 -5.535 -0.628 179 HD1 PHE 26 1HD PHE 26 -1.236 -6.851 1.357 180 HD2 PHE 26 2HD PHE 26 2.092 -5.109 -0.718 181 HE1 PHE 26 1HE PHE 26 0.233 -7.360 3.286 182 HE2 PHE 26 2HE PHE 26 3.573 -5.639 1.210 183 HZ PHE 26 HZ PHE 26 2.651 -6.779 3.203 184 H TYR 27 H TYR 27 0.807 -5.383 -3.587 185 HA TYR 27 HA TYR 27 3.192 -7.211 -3.351 186 HB2 TYR 27 1HB TYR 27 2.474 -5.252 -5.550 187 HB3 TYR 27 2HB TYR 27 3.970 -6.178 -5.468 188 HD1 TYR 27 1HD TYR 27 0.462 -6.171 -6.488 189 HD2 TYR 27 2HD TYR 27 3.797 -8.749 -5.565 190 HE1 TYR 27 1HE TYR 27 -0.637 -8.044 -7.675 191 HE2 TYR 27 2HE TYR 27 2.669 -10.626 -6.761 192 HH TYR 27 HH TYR 27 0.804 -11.316 -7.924 193 H PHE 28 H PHE 28 5.150 -6.312 -2.756 194 HA PHE 28 HA PHE 28 4.999 -3.456 -1.848 195 HB2 PHE 28 1HB PHE 28 5.313 -5.445 -0.168 196 HB3 PHE 28 2HB PHE 28 6.955 -5.524 -0.804 197 HD1 PHE 28 1HD PHE 28 8.601 -3.770 -0.313 198 HD2 PHE 28 2HD PHE 28 4.544 -3.466 1.086 199 HE1 PHE 28 1HE PHE 28 9.270 -1.918 1.213 200 HE2 PHE 28 2HE PHE 28 5.202 -1.605 2.606 201 HZ PHE 28 HZ PHE 28 7.565 -0.836 2.680 202 H SER 29 H SER 29 6.828 -2.172 -2.237 203 HA SER 29 HA SER 29 8.581 -1.337 -3.460 204 HB2 SER 29 1HB SER 29 9.770 -3.117 -2.123 205 HB3 SER 29 2HB SER 29 9.620 -4.200 -3.515 206 HG SER 29 HG SER 29 11.630 -2.940 -3.278 207 H ARG 30 H ARG 30 9.932 -3.389 -5.465 208 HA ARG 30 HA ARG 30 7.841 -3.241 -7.569 209 HB2 ARG 30 1HB ARG 30 9.532 -2.292 -9.167 210 HB3 ARG 30 2HB ARG 30 9.113 -1.219 -7.835 211 HG2 ARG 30 1HG ARG 30 11.408 -0.921 -7.976 212 HG3 ARG 30 2HG ARG 30 11.273 -2.122 -6.705 213 HD2 ARG 30 1HD ARG 30 11.727 -3.898 -8.343 214 HD3 ARG 30 2HD ARG 30 11.908 -2.668 -9.622 215 HE ARG 30 HE ARG 30 13.657 -1.927 -7.602 216 HH11 ARG 30 1HH1 ARG 30 13.250 -4.805 -9.635 217 HH12 ARG 30 2HH1 ARG 30 14.987 -5.124 -9.656 218 HH21 ARG 30 1HH2 ARG 30 15.838 -2.412 -7.673 219 HH22 ARG 30 2HH2 ARG 30 16.392 -3.857 -8.530 220 HA PRO 31 HA PRO 31 9.315 -7.268 -8.461 221 HB2 PRO 31 1HB PRO 31 8.960 -7.607 -11.158 222 HB3 PRO 31 2HB PRO 31 7.591 -7.360 -10.022 223 HG2 PRO 31 1HG PRO 31 8.995 -5.329 -11.691 224 HG3 PRO 31 2HG PRO 31 7.245 -5.701 -11.603 225 HD2 PRO 31 1HD PRO 31 8.315 -3.661 -10.151 226 HD3 PRO 31 2HD PRO 31 7.045 -4.722 -9.459 227 H ALA 32 H ALA 32 10.919 -8.649 -9.454 228 HA ALA 32 HA ALA 32 13.503 -7.350 -9.702 229 HB1 ALA 32 1HB ALA 32 14.383 -9.634 -9.825 230 HB2 ALA 32 2HB ALA 32 13.197 -9.464 -8.509 231 HB3 ALA 32 3HB ALA 32 12.748 -10.272 -10.011 232 H SER 33 H SER 33 12.652 -6.124 -11.729 233 HA SER 33 HA SER 33 12.581 -7.544 -14.239 234 HB2 SER 33 1HB SER 33 13.241 -4.618 -13.724 235 HB3 SER 33 2HB SER 33 12.663 -5.323 -15.256 236 HG SER 33 HG SER 33 10.938 -4.390 -14.070 237 H ARG 34 H ARG 34 14.176 -8.044 -15.677 238 HA ARG 34 HA ARG 34 16.986 -7.567 -14.870 239 HB2 ARG 34 1HB ARG 34 15.630 -9.291 -16.947 240 HB3 ARG 34 2HB ARG 34 17.358 -8.936 -17.074 241 HG2 ARG 34 1HG ARG 34 17.263 -11.012 -16.030 242 HG3 ARG 34 2HG ARG 34 17.621 -9.863 -14.730 243 HD2 ARG 34 1HD ARG 34 15.375 -9.978 -13.888 244 HD3 ARG 34 2HD ARG 34 14.832 -10.874 -15.322 245 HE ARG 34 HE ARG 34 16.920 -12.370 -14.174 246 HH11 ARG 34 1HH1 ARG 34 13.700 -11.339 -13.162 247 HH12 ARG 34 2HH1 ARG 34 13.460 -12.754 -12.159 248 HH21 ARG 34 1HH2 ARG 34 16.551 -14.142 -12.879 249 HH22 ARG 34 2HH2 ARG 34 15.032 -14.300 -12.006 250 H VAL 35 H VAL 35 14.607 -6.529 -17.186 251 HA VAL 35 HA VAL 35 16.602 -5.224 -18.888 252 HB VAL 35 HB VAL 35 14.588 -4.586 -20.256 253 HG11 VAL 35 1HG1 VAL 35 14.840 -7.545 -19.614 254 HG12 VAL 35 2HG1 VAL 35 14.144 -6.852 -21.100 255 HG13 VAL 35 3HG1 VAL 35 15.852 -6.633 -20.744 256 HG21 VAL 35 1HG2 VAL 35 12.940 -4.615 -18.317 257 HG22 VAL 35 2HG2 VAL 35 12.409 -5.522 -19.755 258 HG23 VAL 35 3HG2 VAL 35 13.022 -6.384 -18.327 259 H SER 36 H SER 36 16.436 -2.980 -19.485 260 HA SER 36 HA SER 36 16.210 -1.289 -17.187 261 HB2 SER 36 1HB SER 36 16.502 -0.580 -20.122 262 HB3 SER 36 2HB SER 36 16.861 0.505 -18.740 263 HG SER 36 HG SER 36 18.753 -0.547 -19.500 264 H ARG 37 H ARG 37 13.761 -2.222 -17.128 265 HA ARG 37 HA ARG 37 12.071 0.038 -18.168 266 HB2 ARG 37 1HB ARG 37 11.260 -2.802 -17.350 267 HB3 ARG 37 2HB ARG 37 10.141 -1.516 -17.815 268 HG2 ARG 37 1HG ARG 37 12.321 -2.426 -19.734 269 HG3 ARG 37 2HG ARG 37 10.820 -3.337 -19.577 270 HD2 ARG 37 1HD ARG 37 10.867 -0.387 -20.220 271 HD3 ARG 37 2HD ARG 37 10.936 -1.650 -21.436 272 HE ARG 37 HE ARG 37 8.728 -1.981 -19.583 273 HH11 ARG 37 1HH1 ARG 37 9.679 -0.367 -22.582 274 HH12 ARG 37 2HH1 ARG 37 8.025 -0.205 -23.119 275 HH21 ARG 37 1HH2 ARG 37 6.630 -1.683 -20.317 276 HH22 ARG 37 2HH2 ARG 37 6.345 -0.950 -21.878 277 H ARG 38 H ARG 38 13.050 1.201 -16.384 278 HA ARG 38 HA ARG 38 13.062 0.383 -13.660 279 HB2 ARG 38 1HB ARG 38 13.089 3.030 -15.076 280 HB3 ARG 38 2HB ARG 38 12.696 3.016 -13.351 281 HG2 ARG 38 1HG ARG 38 15.132 1.598 -14.375 282 HG3 ARG 38 2HG ARG 38 15.168 3.350 -14.103 283 HD2 ARG 38 1HD ARG 38 14.501 3.011 -11.733 284 HD3 ARG 38 2HD ARG 38 14.375 1.277 -12.020 285 HE ARG 38 HE ARG 38 16.728 1.076 -12.144 286 HH11 ARG 38 1HH1 ARG 38 15.831 4.424 -11.477 287 HH12 ARG 38 2HH1 ARG 38 17.414 4.847 -10.937 288 HH21 ARG 38 1HH2 ARG 38 18.756 1.691 -11.506 289 HH22 ARG 38 2HH2 ARG 38 19.075 3.338 -10.987 290 H SER 39 H SER 39 11.458 -0.360 -12.516 291 HA SER 39 HA SER 39 8.738 0.753 -12.951 292 HB2 SER 39 1HB SER 39 9.667 -1.695 -11.382 293 HB3 SER 39 2HB SER 39 7.976 -1.257 -11.757 294 HG SER 39 HG SER 39 9.793 -1.500 -13.911 295 H ARG 40 H ARG 40 7.707 1.831 -11.236 296 HA ARG 40 HA ARG 40 9.435 2.714 -9.039 297 HB2 ARG 40 1HB ARG 40 7.988 4.474 -8.770 298 HB3 ARG 40 2HB ARG 40 7.743 4.128 -10.471 299 HG2 ARG 40 1HG ARG 40 5.919 3.235 -8.203 300 HG3 ARG 40 2HG ARG 40 5.656 4.642 -9.202 301 HD2 ARG 40 1HD ARG 40 5.801 1.874 -10.418 302 HD3 ARG 40 2HD ARG 40 4.301 2.530 -9.757 303 HE ARG 40 HE ARG 40 5.651 3.351 -12.217 304 HH11 ARG 40 1HH1 ARG 40 3.227 4.289 -9.814 305 HH12 ARG 40 2HH1 ARG 40 2.391 5.306 -10.940 306 HH21 ARG 40 1HH2 ARG 40 4.576 4.738 -13.570 307 HH22 ARG 40 2HH2 ARG 40 3.187 5.614 -13.010 308 H GLY 41 H GLY 41 8.579 2.637 -6.735 309 HA2 GLY 41 1HA GLY 41 6.833 0.246 -6.344 310 HA3 GLY 41 2HA GLY 41 8.363 0.398 -5.479 311 H ILE 42 H ILE 42 5.865 0.110 -4.214 312 HA ILE 42 HA ILE 42 4.550 2.501 -3.572 313 HB ILE 42 HB ILE 42 3.696 0.192 -3.098 314 HG12 ILE 42 1HG1 ILE 42 2.777 0.688 -0.781 315 HG13 ILE 42 2HG1 ILE 42 3.724 2.185 -0.829 316 HG21 ILE 42 1HG2 ILE 42 5.838 -0.699 -2.040 317 HG22 ILE 42 2HG2 ILE 42 5.433 0.212 -0.579 318 HG23 ILE 42 3HG2 ILE 42 4.347 -1.083 -1.138 319 HD11 ILE 42 1HD1 ILE 42 1.446 1.361 -2.636 320 HD12 ILE 42 2HD1 ILE 42 1.482 2.680 -1.444 321 HD13 ILE 42 3HD1 ILE 42 2.469 2.803 -2.909 322 H VAL 43 H VAL 43 7.537 1.235 -2.117 323 HA VAL 43 HA VAL 43 7.462 3.015 0.108 324 HB VAL 43 HB VAL 43 8.803 0.906 -0.043 325 HG11 VAL 43 1HG1 VAL 43 9.812 1.287 -2.282 326 HG12 VAL 43 2HG1 VAL 43 10.782 2.627 -1.591 327 HG13 VAL 43 3HG1 VAL 43 11.029 0.956 -1.030 328 HG21 VAL 43 1HG2 VAL 43 9.121 2.567 1.736 329 HG22 VAL 43 2HG2 VAL 43 10.662 1.769 1.313 330 HG23 VAL 43 3HG2 VAL 43 10.327 3.424 0.750 331 H GLU 44 H GLU 44 8.445 3.482 -3.247 332 HA GLU 44 HA GLU 44 10.071 5.835 -2.721 333 HB2 GLU 44 1HB GLU 44 9.496 4.221 -4.918 334 HB3 GLU 44 2HB GLU 44 8.726 5.763 -5.324 335 HG2 GLU 44 1HG GLU 44 10.903 6.912 -4.780 336 HG3 GLU 44 2HG GLU 44 11.632 5.305 -4.630 337 H GLU 45 H GLU 45 6.680 5.194 -3.609 338 HA GLU 45 HA GLU 45 6.218 8.093 -3.737 339 HB2 GLU 45 1HB GLU 45 4.253 5.803 -3.976 340 HB3 GLU 45 2HB GLU 45 3.943 7.513 -4.354 341 HG2 GLU 45 1HG GLU 45 5.964 7.297 -5.999 342 HG3 GLU 45 2HG GLU 45 5.757 5.539 -5.819 343 H CYS 46 H CYS 46 5.784 5.560 -1.296 344 HA CYS 46 HA CYS 46 4.173 7.455 0.320 345 HB2 CYS 46 1HB CYS 46 4.867 4.551 0.679 346 HB3 CYS 46 2HB CYS 46 4.052 5.497 1.901 347 H CYS 47 H CYS 47 7.500 6.319 0.323 348 HA CYS 47 HA CYS 47 7.787 7.469 3.078 349 HB2 CYS 47 1HB CYS 47 8.337 5.033 2.791 350 HB3 CYS 47 2HB CYS 47 9.624 5.503 1.677 351 H PHE 48 H PHE 48 9.350 7.361 -0.176 352 HA PHE 48 HA PHE 48 11.231 9.499 0.582 353 HB2 PHE 48 1HB PHE 48 10.526 8.188 -2.049 354 HB3 PHE 48 2HB PHE 48 11.614 9.548 -1.952 355 HD1 PHE 48 1HD PHE 48 11.106 5.996 -0.998 356 HD2 PHE 48 2HD PHE 48 13.879 9.293 -1.198 357 HE1 PHE 48 1HE PHE 48 12.975 4.438 -0.633 358 HE2 PHE 48 2HE PHE 48 15.790 7.731 -0.819 359 HZ PHE 48 HZ PHE 48 15.336 5.276 -0.525 360 H ARG 49 H ARG 49 8.012 9.160 -0.708 361 HA ARG 49 HA ARG 49 7.706 12.127 -0.824 362 HB2 ARG 49 1HB ARG 49 6.842 10.032 -2.838 363 HB3 ARG 49 2HB ARG 49 5.864 11.461 -2.573 364 HG2 ARG 49 1HG ARG 49 8.142 12.746 -3.006 365 HG3 ARG 49 2HG ARG 49 8.560 11.241 -3.877 366 HD2 ARG 49 1HD ARG 49 6.510 11.456 -5.241 367 HD3 ARG 49 2HD ARG 49 5.996 12.843 -4.285 368 HE ARG 49 HE ARG 49 8.585 13.275 -5.467 369 HH11 ARG 49 1HH1 ARG 49 5.107 13.405 -6.184 370 HH12 ARG 49 2HH1 ARG 49 5.322 14.644 -7.417 371 HH21 ARG 49 1HH2 ARG 49 8.743 14.839 -7.047 372 HH22 ARG 49 2HH2 ARG 49 7.347 15.372 -7.921 373 H SER 50 H SER 50 5.148 12.448 -0.702 374 HA SER 50 HA SER 50 4.094 10.609 1.375 375 HB2 SER 50 1HB SER 50 4.045 13.162 1.672 376 HB3 SER 50 2HB SER 50 2.836 13.168 0.362 377 HG SER 50 HG SER 50 2.662 12.193 3.001 378 H CYS 51 H CYS 51 1.963 9.663 0.993 379 HA CYS 51 HA CYS 51 1.139 9.605 -1.883 380 HB2 CYS 51 1HB CYS 51 0.951 7.167 -1.776 381 HB3 CYS 51 2HB CYS 51 2.602 7.652 -1.405 382 H ASP 52 H ASP 52 -0.998 8.529 -2.181 383 HA ASP 52 HA ASP 52 -2.764 9.140 0.145 384 HB2 ASP 52 1HB ASP 52 -2.923 9.873 -2.770 385 HB3 ASP 52 2HB ASP 52 -4.426 9.559 -1.887 386 H LEU 53 H LEU 53 -4.879 8.115 0.046 387 HA LEU 53 HA LEU 53 -4.707 5.339 0.129 388 HB2 LEU 53 1HB LEU 53 -6.430 6.714 1.217 389 HB3 LEU 53 2HB LEU 53 -7.138 7.091 -0.349 390 HG LEU 53 HG LEU 53 -7.778 4.730 -0.629 391 HD11 LEU 53 1HD1 LEU 53 -7.733 3.228 1.349 392 HD12 LEU 53 2HD1 LEU 53 -6.715 4.407 2.180 393 HD13 LEU 53 3HD1 LEU 53 -6.107 3.610 0.736 394 HD21 LEU 53 1HD2 LEU 53 -9.346 6.364 0.292 395 HD22 LEU 53 2HD2 LEU 53 -8.698 6.080 1.935 396 HD23 LEU 53 3HD2 LEU 53 -9.580 4.786 1.079 397 H ALA 54 H ALA 54 -5.960 7.288 -2.612 398 HA ALA 54 HA ALA 54 -6.926 5.077 -4.126 399 HB1 ALA 54 1HB ALA 54 -6.785 6.645 -6.054 400 HB2 ALA 54 2HB ALA 54 -7.472 7.451 -4.630 401 HB3 ALA 54 3HB ALA 54 -5.778 7.750 -5.090 402 H LEU 55 H LEU 55 -3.695 6.574 -3.961 403 HA LEU 55 HA LEU 55 -2.576 5.035 -6.134 404 HB2 LEU 55 1HB LEU 55 -1.542 7.066 -5.591 405 HB3 LEU 55 2HB LEU 55 -1.521 6.686 -3.871 406 HG LEU 55 HG LEU 55 0.254 5.126 -4.131 407 HD11 LEU 55 1HD1 LEU 55 0.129 5.721 -7.104 408 HD12 LEU 55 2HD1 LEU 55 -0.064 4.138 -6.300 409 HD13 LEU 55 3HD1 LEU 55 1.518 4.956 -6.302 410 HD21 LEU 55 1HD2 LEU 55 0.625 7.588 -3.890 411 HD22 LEU 55 2HD2 LEU 55 0.880 7.684 -5.643 412 HD23 LEU 55 3HD2 LEU 55 1.955 6.725 -4.626 413 H LEU 56 H LEU 56 -2.537 4.727 -2.561 414 HA LEU 56 HA LEU 56 -0.884 2.459 -2.448 415 HB2 LEU 56 1HB LEU 56 -1.765 4.067 -0.626 416 HB3 LEU 56 2HB LEU 56 -3.124 2.953 -0.491 417 HG LEU 56 HG LEU 56 -0.412 1.721 -0.428 418 HD11 LEU 56 1HD1 LEU 56 -0.100 2.330 1.973 419 HD12 LEU 56 2HD1 LEU 56 -1.465 3.468 1.831 420 HD13 LEU 56 3HD1 LEU 56 0.004 3.724 0.879 421 HD21 LEU 56 1HD2 LEU 56 -2.896 1.402 1.257 422 HD22 LEU 56 2HD2 LEU 56 -1.430 0.409 1.348 423 HD23 LEU 56 3HD2 LEU 56 -2.429 0.387 -0.123 424 H GLU 57 H GLU 57 -4.344 2.762 -3.013 425 HA GLU 57 HA GLU 57 -5.071 0.029 -2.800 426 HB2 GLU 57 1HB GLU 57 -6.530 2.124 -2.971 427 HB3 GLU 57 2HB GLU 57 -6.267 2.064 -4.716 428 HG2 GLU 57 1HG GLU 57 -7.372 -0.110 -4.828 429 HG3 GLU 57 2HG GLU 57 -7.472 -0.171 -3.063 430 HE2 GLU 57 HE2 GLU 57 -10.407 1.394 -3.046 431 H THR 58 H THR 58 -3.309 1.681 -5.367 432 HA THR 58 HA THR 58 -4.029 -0.300 -7.389 433 HB THR 58 HB THR 58 -2.366 0.716 -8.821 434 HG1 THR 58 1HG THR 58 -1.554 2.189 -6.502 435 HG21 THR 58 1HG2 THR 58 -4.536 1.967 -8.400 436 HG22 THR 58 2HG2 THR 58 -3.170 3.038 -8.813 437 HG23 THR 58 3HG2 THR 58 -3.723 2.894 -7.120 438 H TYR 59 H TYR 59 -1.788 -0.337 -4.760 439 HA TYR 59 HA TYR 59 -0.039 -2.285 -6.123 440 HB2 TYR 59 1HB TYR 59 0.013 -0.833 -3.488 441 HB3 TYR 59 2HB TYR 59 1.018 -2.279 -3.745 442 HD1 TYR 59 1HD TYR 59 2.893 -2.314 -5.223 443 HD2 TYR 59 2HD TYR 59 0.438 1.205 -4.947 444 HE1 TYR 59 1HE TYR 59 4.619 -1.000 -6.472 445 HE2 TYR 59 2HE TYR 59 2.152 2.516 -6.205 446 HH TYR 59 HH TYR 59 5.150 1.012 -7.426 447 H CYS 60 H CYS 60 -3.041 -2.450 -4.738 448 HA CYS 60 HA CYS 60 -2.727 -4.843 -3.118 449 HB2 CYS 60 1HB CYS 60 -5.147 -3.720 -4.585 450 HB3 CYS 60 2HB CYS 60 -5.191 -4.990 -3.353 451 H ALA 61 H ALA 61 -3.221 -7.012 -3.652 452 HA ALA 61 HA ALA 61 -2.345 -7.660 -6.349 453 HB1 ALA 61 1HB ALA 61 -1.711 -9.031 -4.375 454 HB2 ALA 61 2HB ALA 61 -3.413 -9.465 -4.093 455 HB3 ALA 61 3HB ALA 61 -2.570 -10.006 -5.569 456 H THR 62 H THR 62 -3.414 -8.836 -7.874 457 HA THR 62 HA THR 62 -6.399 -8.983 -7.662 458 HB THR 62 HB THR 62 -6.474 -8.832 -10.178 459 HG1 THR 62 1HG THR 62 -3.767 -8.947 -9.851 460 HG21 THR 62 1HG2 THR 62 -6.802 -6.795 -8.811 461 HG22 THR 62 2HG2 THR 62 -6.062 -6.430 -10.405 462 HG23 THR 62 3HG2 THR 62 -5.060 -6.466 -8.943 463 HA PRO 63 HA PRO 63 -5.102 -13.178 -7.743 464 HB2 PRO 63 1HB PRO 63 -7.418 -14.516 -8.257 465 HB3 PRO 63 2HB PRO 63 -7.178 -13.599 -6.738 466 HG2 PRO 63 1HG PRO 63 -8.551 -12.690 -9.274 467 HG3 PRO 63 2HG PRO 63 -9.177 -12.666 -7.594 468 HD2 PRO 63 1HD PRO 63 -8.065 -10.488 -8.699 469 HD3 PRO 63 2HD PRO 63 -7.785 -10.894 -6.974 470 H ALA 64 H ALA 64 -4.984 -15.129 -9.166 471 HA ALA 64 HA ALA 64 -4.383 -14.419 -11.877 472 HB1 ALA 64 1HB ALA 64 -4.173 -16.835 -12.214 473 HB2 ALA 64 2HB ALA 64 -3.330 -16.346 -10.741 474 HB3 ALA 64 3HB ALA 64 -4.919 -17.141 -10.647 475 H LYS 65 H LYS 65 -5.576 -14.773 -13.767 476 HA LYS 65 HA LYS 65 -8.394 -14.332 -13.437 477 HB2 LYS 65 1HB LYS 65 -6.735 -14.932 -15.905 478 HB3 LYS 65 2HB LYS 65 -8.444 -14.430 -15.930 479 HG2 LYS 65 1HG LYS 65 -7.774 -12.333 -14.745 480 HG3 LYS 65 2HG LYS 65 -6.064 -12.825 -14.864 481 HD2 LYS 65 1HD LYS 65 -6.275 -12.977 -17.319 482 HD3 LYS 65 2HD LYS 65 -7.954 -12.412 -17.220 483 HE2 LYS 65 1HE LYS 65 -5.490 -10.848 -16.349 484 HE3 LYS 65 2HE LYS 65 -6.424 -10.554 -17.810 485 HZ1 LYS 65 1HZ LYS 65 -7.455 -10.278 -15.035 486 HZ2 LYS 65 2HZ LYS 65 -8.361 -10.050 -16.397 487 HZ3 LYS 65 3HZ LYS 65 -7.103 -9.032 -16.050 488 H SER 66 H SER 66 -6.537 -17.154 -14.586 489 HA SER 66 HA SER 66 -8.649 -18.971 -13.747 490 HB2 SER 66 1HB SER 66 -9.572 -18.217 -15.965 491 HB3 SER 66 2HB SER 66 -8.070 -18.747 -16.737 492 HG SER 66 HG SER 66 -9.617 -20.400 -16.871 493 H GLU 67 H GLU 67 -7.661 -20.918 -13.320 494 HA GLU 67 HA GLU 67 -4.897 -21.389 -14.397 495 HB2 GLU 67 1HB GLU 67 -6.184 -22.153 -11.727 496 HB3 GLU 67 2HB GLU 67 -4.797 -23.012 -12.369 497 HG2 GLU 67 1HG GLU 67 -4.644 -19.996 -12.161 498 HG3 GLU 67 2HG GLU 67 -4.405 -21.006 -10.722 Start of MODEL 3 1 HA ALA 1 HA ALA 1 -2.025 24.870 2.384 2 HB1 ALA 1 1HB ALA 1 -2.591 24.641 4.805 3 HB2 ALA 1 2HB ALA 1 -3.361 23.079 4.478 4 HB3 ALA 1 3HB ALA 1 -1.614 23.268 4.258 5 H TYR 2 H TYR 2 -0.683 23.154 1.797 6 HA TYR 2 HA TYR 2 -2.025 21.338 -0.117 7 HB2 TYR 2 1HB TYR 2 0.105 22.773 -0.560 8 HB3 TYR 2 2HB TYR 2 0.957 21.507 0.336 9 HD1 TYR 2 1HD TYR 2 1.500 19.413 -0.751 10 HD2 TYR 2 2HD TYR 2 -1.257 22.140 -2.629 11 HE1 TYR 2 1HE TYR 2 1.534 18.031 -2.834 12 HE2 TYR 2 2HE TYR 2 -1.208 20.753 -4.703 13 HH TYR 2 HH TYR 2 0.760 17.795 -4.978 14 H ARG 3 H ARG 3 -1.255 19.028 -0.180 15 HA ARG 3 HA ARG 3 -1.738 17.796 2.353 16 HB2 ARG 3 1HB ARG 3 -0.519 16.638 -0.167 17 HB3 ARG 3 2HB ARG 3 -1.099 15.683 1.195 18 HG2 ARG 3 1HG ARG 3 -3.381 16.449 0.833 19 HG3 ARG 3 2HG ARG 3 -2.845 17.551 -0.448 20 HD2 ARG 3 1HD ARG 3 -2.059 15.600 -1.771 21 HD3 ARG 3 2HD ARG 3 -2.723 14.517 -0.527 22 HE ARG 3 HE ARG 3 -4.822 16.204 -1.198 23 HH11 ARG 3 1HH1 ARG 3 -2.832 13.920 -3.012 24 HH12 ARG 3 2HH1 ARG 3 -4.067 13.654 -4.205 25 HH21 ARG 3 1HH2 ARG 3 -6.374 15.755 -2.722 26 HH22 ARG 3 2HH2 ARG 3 -6.040 14.651 -4.027 27 HA PRO 4 HA PRO 4 2.280 18.170 3.962 28 HB2 PRO 4 1HB PRO 4 2.202 16.527 6.117 29 HB3 PRO 4 2HB PRO 4 1.154 17.977 5.995 30 HG2 PRO 4 1HG PRO 4 0.502 15.112 5.381 31 HG3 PRO 4 2HG PRO 4 -0.406 16.285 6.385 32 HD2 PRO 4 1HD PRO 4 -1.018 15.758 3.769 33 HD3 PRO 4 2HD PRO 4 -1.276 17.374 4.502 34 H SER 5 H SER 5 4.321 17.241 4.269 35 HA SER 5 HA SER 5 4.819 14.791 2.704 36 HB2 SER 5 1HB SER 5 7.204 15.478 3.037 37 HB3 SER 5 2HB SER 5 6.211 16.758 2.309 38 HG SER 5 HG SER 5 7.165 16.538 4.960 39 H GLU 6 H GLU 6 3.386 14.306 5.090 40 HA GLU 6 HA GLU 6 5.143 13.750 7.299 41 HB2 GLU 6 1HB GLU 6 3.244 12.742 8.350 42 HB3 GLU 6 2HB GLU 6 2.700 14.187 7.492 43 HG2 GLU 6 1HG GLU 6 1.869 12.734 5.637 44 HG3 GLU 6 2HG GLU 6 2.353 11.312 6.574 45 HE2 GLU 6 HE2 GLU 6 1.106 10.591 7.854 46 H THR 7 H THR 7 4.344 11.966 4.463 47 HA THR 7 HA THR 7 4.843 9.918 3.648 48 HB THR 7 HB THR 7 6.948 8.884 4.112 49 HG1 THR 7 1HG THR 7 6.720 10.240 6.581 50 HG21 THR 7 1HG2 THR 7 8.500 10.693 3.880 51 HG22 THR 7 2HG2 THR 7 7.383 11.839 4.640 52 HG23 THR 7 3HG2 THR 7 7.011 11.158 3.035 53 H LEU 8 H LEU 8 5.347 7.556 4.164 54 HA LEU 8 HA LEU 8 4.030 6.598 6.644 55 HB2 LEU 8 1HB LEU 8 2.335 6.782 4.810 56 HB3 LEU 8 2HB LEU 8 3.296 5.709 3.839 57 HG LEU 8 HG LEU 8 2.939 3.939 5.552 58 HD11 LEU 8 1HD1 LEU 8 1.058 4.230 7.152 59 HD12 LEU 8 2HD1 LEU 8 0.975 5.953 6.718 60 HD13 LEU 8 3HD1 LEU 8 2.421 5.306 7.524 61 HD21 LEU 8 1HD2 LEU 8 0.661 3.486 4.808 62 HD22 LEU 8 2HD2 LEU 8 1.586 4.197 3.477 63 HD23 LEU 8 3HD2 LEU 8 0.423 5.192 4.383 64 H CYS 9 H CYS 9 5.584 5.373 7.460 65 HA CYS 9 HA CYS 9 6.983 3.373 5.828 66 HB2 CYS 9 1HB CYS 9 8.052 5.832 5.671 67 HB3 CYS 9 2HB CYS 9 8.799 5.336 7.193 68 H GLY 10 H GLY 10 9.072 2.720 7.479 69 HA2 GLY 10 1HA GLY 10 9.630 1.816 9.526 70 HA3 GLY 10 2HA GLY 10 8.520 2.980 10.258 71 H GLY 11 H GLY 11 7.498 0.523 7.923 72 HA2 GLY 11 1HA GLY 11 6.422 -1.525 8.354 73 HA3 GLY 11 2HA GLY 11 6.435 -1.172 10.086 74 H GLU 12 H GLU 12 5.281 1.596 9.536 75 HA GLU 12 HA GLU 12 2.524 0.958 9.857 76 HB2 GLU 12 1HB GLU 12 3.758 3.533 8.804 77 HB3 GLU 12 2HB GLU 12 2.127 3.360 9.447 78 HG2 GLU 12 1HG GLU 12 4.580 2.778 11.139 79 HG3 GLU 12 2HG GLU 12 3.916 4.405 10.961 80 H LEU 13 H LEU 13 4.509 1.467 7.009 81 HA LEU 13 HA LEU 13 2.433 1.897 5.106 82 HB2 LEU 13 1HB LEU 13 5.217 1.665 5.072 83 HB3 LEU 13 2HB LEU 13 4.682 0.262 4.152 84 HG LEU 13 HG LEU 13 4.074 3.149 3.568 85 HD11 LEU 13 1HD1 LEU 13 6.328 2.542 3.012 86 HD12 LEU 13 2HD1 LEU 13 5.400 2.633 1.504 87 HD13 LEU 13 3HD1 LEU 13 5.774 1.046 2.210 88 HD21 LEU 13 1HD2 LEU 13 3.004 2.460 1.515 89 HD22 LEU 13 2HD2 LEU 13 2.129 1.852 2.924 90 HD23 LEU 13 3HD2 LEU 13 3.174 0.757 1.994 91 H VAL 14 H VAL 14 3.975 -1.038 6.363 92 HA VAL 14 HA VAL 14 2.642 -2.852 4.575 93 HB VAL 14 HB VAL 14 3.913 -3.368 7.312 94 HG11 VAL 14 1HG1 VAL 14 3.157 -5.299 5.082 95 HG12 VAL 14 2HG1 VAL 14 4.109 -5.722 6.526 96 HG13 VAL 14 3HG1 VAL 14 2.420 -5.205 6.698 97 HG21 VAL 14 1HG2 VAL 14 5.880 -4.133 5.992 98 HG22 VAL 14 2HG2 VAL 14 5.062 -3.636 4.493 99 HG23 VAL 14 3HG2 VAL 14 5.530 -2.418 5.704 100 H ASP 15 H ASP 15 1.974 -1.649 7.872 101 HA ASP 15 HA ASP 15 -0.318 -3.274 8.390 102 HB2 ASP 15 1HB ASP 15 0.875 -1.887 10.074 103 HB3 ASP 15 2HB ASP 15 0.284 -0.425 9.274 104 H THR 16 H THR 16 -0.003 -0.007 6.940 105 HA THR 16 HA THR 16 -2.768 0.370 6.401 106 HB THR 16 HB THR 16 -0.401 1.390 4.760 107 HG1 THR 16 1HG THR 16 -0.324 1.854 7.057 108 HG21 THR 16 1HG2 THR 16 -2.518 1.808 3.623 109 HG22 THR 16 2HG2 THR 16 -1.923 3.325 4.332 110 HG23 THR 16 3HG2 THR 16 -3.237 2.432 5.130 111 H LEU 17 H LEU 17 -0.189 -1.173 4.426 112 HA LEU 17 HA LEU 17 -1.831 -1.577 2.111 113 HB2 LEU 17 1HB LEU 17 0.660 -2.883 3.197 114 HB3 LEU 17 2HB LEU 17 -0.133 -3.519 1.763 115 HG LEU 17 HG LEU 17 0.569 -0.602 1.857 116 HD11 LEU 17 1HD1 LEU 17 2.495 -2.847 1.188 117 HD12 LEU 17 2HD1 LEU 17 2.621 -1.714 2.555 118 HD13 LEU 17 3HD1 LEU 17 2.774 -1.116 0.897 119 HD21 LEU 17 1HD2 LEU 17 0.713 -0.850 -0.545 120 HD22 LEU 17 2HD2 LEU 17 -0.795 -1.615 -0.015 121 HD23 LEU 17 3HD2 LEU 17 0.609 -2.620 -0.425 122 H GLN 18 H GLN 18 -1.305 -3.561 5.052 123 HA GLN 18 HA GLN 18 -2.877 -5.790 4.090 124 HB2 GLN 18 1HB GLN 18 -2.114 -4.852 6.875 125 HB3 GLN 18 2HB GLN 18 -3.071 -6.308 6.572 126 HG2 GLN 18 1HG GLN 18 -1.251 -7.271 5.257 127 HG3 GLN 18 2HG GLN 18 -0.279 -5.817 5.492 128 HE21 GLN 18 1HE2 GLN 18 1.099 -7.995 7.981 129 HE22 GLN 18 2HE2 GLN 18 1.185 -7.618 6.278 130 H PHE 19 H PHE 19 -3.671 -2.793 5.900 131 HA PHE 19 HA PHE 19 -6.398 -3.557 6.384 132 HB2 PHE 19 1HB PHE 19 -5.178 -1.749 7.577 133 HB3 PHE 19 2HB PHE 19 -5.203 -0.778 6.102 134 HD1 PHE 19 1HD PHE 19 -7.207 0.382 5.390 135 HD2 PHE 19 2HD PHE 19 -7.287 -2.242 8.797 136 HE1 PHE 19 1HE PHE 19 -9.451 1.271 6.014 137 HE2 PHE 19 2HE PHE 19 -9.528 -1.361 9.434 138 HZ PHE 19 HZ PHE 19 -10.620 0.394 8.037 139 H VAL 20 H VAL 20 -4.883 -1.620 3.758 140 HA VAL 20 HA VAL 20 -7.404 -1.004 2.499 141 HB VAL 20 HB VAL 20 -4.529 -0.911 1.429 142 HG11 VAL 20 1HG1 VAL 20 -7.084 0.224 0.214 143 HG12 VAL 20 2HG1 VAL 20 -5.433 0.620 -0.323 144 HG13 VAL 20 3HG1 VAL 20 -6.042 -1.038 -0.482 145 HG21 VAL 20 1HG2 VAL 20 -4.777 1.544 1.763 146 HG22 VAL 20 2HG2 VAL 20 -6.394 1.277 2.459 147 HG23 VAL 20 3HG2 VAL 20 -4.955 0.661 3.289 148 H CYS 21 H CYS 21 -4.937 -3.546 1.873 149 HA CYS 21 HA CYS 21 -6.558 -4.461 -0.428 150 HB2 CYS 21 1HB CYS 21 -3.875 -5.425 0.590 151 HB3 CYS 21 2HB CYS 21 -4.618 -5.803 -0.972 152 H GLY 22 H GLY 22 -6.118 -5.315 2.884 153 HA2 GLY 22 1HA GLY 22 -7.057 -7.028 4.085 154 HA3 GLY 22 2HA GLY 22 -7.969 -7.488 2.639 155 H ASP 23 H ASP 23 -7.626 -9.619 3.444 156 HA ASP 23 HA ASP 23 -5.064 -10.882 3.577 157 HB2 ASP 23 1HB ASP 23 -7.235 -11.623 4.628 158 HB3 ASP 23 2HB ASP 23 -7.793 -12.099 3.017 159 H ARG 24 H ARG 24 -6.473 -9.603 0.837 160 HA ARG 24 HA ARG 24 -5.888 -11.868 -0.944 161 HB2 ARG 24 1HB ARG 24 -6.678 -9.010 -1.572 162 HB3 ARG 24 2HB ARG 24 -6.627 -10.351 -2.723 163 HG2 ARG 24 1HG ARG 24 -8.477 -10.155 -0.292 164 HG3 ARG 24 2HG ARG 24 -8.932 -9.857 -1.972 165 HD2 ARG 24 1HD ARG 24 -9.690 -12.028 -1.648 166 HD3 ARG 24 2HD ARG 24 -8.118 -12.294 -2.413 167 HE ARG 24 HE ARG 24 -7.569 -12.406 0.298 168 HH11 ARG 24 1HH1 ARG 24 -9.774 -14.200 -1.820 169 HH12 ARG 24 2HH1 ARG 24 -9.694 -15.625 -0.828 170 HH21 ARG 24 1HH2 ARG 24 -7.511 -14.296 1.508 171 HH22 ARG 24 2HH2 ARG 24 -8.450 -15.671 0.994 172 H GLY 25 H GLY 25 -4.097 -9.342 0.485 173 HA2 GLY 25 1HA GLY 25 -1.769 -9.291 0.373 174 HA3 GLY 25 2HA GLY 25 -1.807 -10.256 -1.107 175 H PHE 26 H PHE 26 -0.050 -8.354 -1.149 176 HA PHE 26 HA PHE 26 -1.083 -6.348 -3.024 177 HB2 PHE 26 1HB PHE 26 -0.180 -4.480 -1.635 178 HB3 PHE 26 2HB PHE 26 -1.565 -5.299 -0.895 179 HD1 PHE 26 1HD PHE 26 2.153 -4.967 -0.724 180 HD2 PHE 26 2HD PHE 26 -1.428 -6.382 1.206 181 HE1 PHE 26 1HE PHE 26 3.449 -5.405 1.358 182 HE2 PHE 26 2HE PHE 26 -0.139 -6.820 3.279 183 HZ PHE 26 HZ PHE 26 2.301 -6.328 3.367 184 H TYR 27 H TYR 27 0.750 -4.961 -3.791 185 HA TYR 27 HA TYR 27 3.200 -6.646 -3.977 186 HB2 TYR 27 1HB TYR 27 2.191 -4.346 -5.683 187 HB3 TYR 27 2HB TYR 27 3.698 -5.232 -5.955 188 HD1 TYR 27 1HD TYR 27 3.515 -7.816 -6.333 189 HD2 TYR 27 2HD TYR 27 0.133 -5.161 -6.599 190 HE1 TYR 27 1HE TYR 27 2.258 -9.529 -7.638 191 HE2 TYR 27 2HE TYR 27 -1.096 -6.867 -7.919 192 HH TYR 27 HH TYR 27 0.283 -10.069 -8.669 193 H PHE 28 H PHE 28 5.236 -5.765 -3.645 194 HA PHE 28 HA PHE 28 5.282 -3.229 -2.075 195 HB2 PHE 28 1HB PHE 28 5.468 -5.583 -0.874 196 HB3 PHE 28 2HB PHE 28 7.139 -5.509 -1.447 197 HD1 PHE 28 1HD PHE 28 4.556 -3.584 0.472 198 HD2 PHE 28 2HD PHE 28 8.755 -4.277 -0.186 199 HE1 PHE 28 1HE PHE 28 5.092 -2.140 2.427 200 HE2 PHE 28 2HE PHE 28 9.300 -2.844 1.778 201 HZ PHE 28 HZ PHE 28 7.466 -1.763 3.084 202 H SER 29 H SER 29 7.893 -2.794 -1.756 203 HA SER 29 HA SER 29 8.792 -1.918 -4.299 204 HB2 SER 29 1HB SER 29 9.584 -1.075 -2.048 205 HB3 SER 29 2HB SER 29 10.540 -2.565 -1.894 206 HG SER 29 HG SER 29 11.906 -1.135 -2.813 207 H ARG 30 H ARG 30 9.766 -2.933 -5.937 208 HA ARG 30 HA ARG 30 10.090 -5.841 -5.622 209 HB2 ARG 30 1HB ARG 30 8.707 -4.429 -7.384 210 HB3 ARG 30 2HB ARG 30 10.239 -4.401 -8.253 211 HG2 ARG 30 1HG ARG 30 9.129 -7.025 -7.283 212 HG3 ARG 30 2HG ARG 30 8.428 -6.249 -8.717 213 HD2 ARG 30 1HD ARG 30 10.707 -6.113 -9.711 214 HD3 ARG 30 2HD ARG 30 11.322 -7.027 -8.326 215 HE ARG 30 HE ARG 30 9.134 -8.403 -9.585 216 HH11 ARG 30 1HH1 ARG 30 12.592 -7.772 -9.921 217 HH12 ARG 30 2HH1 ARG 30 12.855 -9.205 -10.888 218 HH21 ARG 30 1HH2 ARG 30 9.541 -10.226 -10.802 219 HH22 ARG 30 2HH2 ARG 30 11.154 -10.579 -11.354 220 HA PRO 31 HA PRO 31 14.492 -5.294 -5.805 221 HB2 PRO 31 1HB PRO 31 15.312 -7.866 -6.248 222 HB3 PRO 31 2HB PRO 31 14.663 -7.322 -4.667 223 HG2 PRO 31 1HG PRO 31 13.213 -8.697 -6.924 224 HG3 PRO 31 2HG PRO 31 13.276 -9.145 -5.189 225 HD2 PRO 31 1HD PRO 31 11.210 -7.723 -6.180 226 HD3 PRO 31 2HD PRO 31 11.892 -7.345 -4.558 227 H ALA 32 H ALA 32 16.193 -5.219 -7.303 228 HA ALA 32 HA ALA 32 15.395 -4.963 -10.060 229 HB1 ALA 32 1HB ALA 32 17.142 -3.539 -8.993 230 HB2 ALA 32 2HB ALA 32 18.180 -4.972 -8.800 231 HB3 ALA 32 3HB ALA 32 17.770 -4.381 -10.428 232 H SER 33 H SER 33 16.725 -6.031 -11.839 233 HA SER 33 HA SER 33 17.602 -8.788 -11.257 234 HB2 SER 33 1HB SER 33 15.429 -7.972 -13.238 235 HB3 SER 33 2HB SER 33 16.184 -9.564 -13.144 236 HG SER 33 HG SER 33 15.369 -8.864 -10.701 237 H ARG 34 H ARG 34 18.769 -9.587 -13.302 238 HA ARG 34 HA ARG 34 20.462 -7.502 -14.349 239 HB2 ARG 34 1HB ARG 34 20.007 -10.356 -15.313 240 HB3 ARG 34 2HB ARG 34 21.224 -9.254 -15.966 241 HG2 ARG 34 1HG ARG 34 21.740 -9.139 -13.256 242 HG3 ARG 34 2HG ARG 34 21.268 -10.832 -13.483 243 HD2 ARG 34 1HD ARG 34 23.420 -9.342 -15.057 244 HD3 ARG 34 2HD ARG 34 23.716 -10.476 -13.737 245 HE ARG 34 HE ARG 34 22.917 -12.290 -15.125 246 HH11 ARG 34 1HH1 ARG 34 23.471 -9.280 -16.911 247 HH12 ARG 34 2HH1 ARG 34 23.614 -10.114 -18.435 248 HH21 ARG 34 1HH2 ARG 34 23.110 -13.264 -17.109 249 HH22 ARG 34 2HH2 ARG 34 23.413 -12.319 -18.540 250 H VAL 35 H VAL 35 17.396 -8.796 -15.387 251 HA VAL 35 HA VAL 35 17.615 -7.457 -18.010 252 HB VAL 35 HB VAL 35 15.278 -8.303 -18.360 253 HG11 VAL 35 1HG1 VAL 35 15.883 -10.667 -18.620 254 HG12 VAL 35 2HG1 VAL 35 17.246 -9.628 -19.082 255 HG13 VAL 35 3HG1 VAL 35 17.259 -10.464 -17.512 256 HG21 VAL 35 1HG2 VAL 35 14.584 -8.381 -15.941 257 HG22 VAL 35 2HG2 VAL 35 14.270 -9.899 -16.801 258 HG23 VAL 35 3HG2 VAL 35 15.659 -9.778 -15.706 259 H SER 36 H SER 36 16.417 -5.644 -18.559 260 HA SER 36 HA SER 36 15.930 -3.816 -16.391 261 HB2 SER 36 1HB SER 36 15.267 -3.537 -19.347 262 HB3 SER 36 2HB SER 36 15.437 -2.219 -18.164 263 HG SER 36 HG SER 36 17.359 -2.517 -19.361 264 H ARG 37 H ARG 37 14.261 -5.300 -15.375 265 HA ARG 37 HA ARG 37 11.527 -4.505 -16.356 266 HB2 ARG 37 1HB ARG 37 12.384 -7.132 -15.076 267 HB3 ARG 37 2HB ARG 37 10.713 -6.676 -15.423 268 HG2 ARG 37 1HG ARG 37 12.862 -6.959 -17.560 269 HG3 ARG 37 2HG ARG 37 11.740 -8.245 -17.095 270 HD2 ARG 37 1HD ARG 37 10.145 -7.419 -18.424 271 HD3 ARG 37 2HD ARG 37 10.226 -5.842 -17.620 272 HE ARG 37 HE ARG 37 12.428 -5.929 -19.334 273 HH11 ARG 37 1HH1 ARG 37 8.920 -6.030 -19.728 274 HH12 ARG 37 2HH1 ARG 37 8.989 -5.312 -21.314 275 HH21 ARG 37 1HH2 ARG 37 12.431 -5.018 -21.359 276 HH22 ARG 37 2HH2 ARG 37 10.939 -4.759 -22.220 277 H ARG 38 H ARG 38 13.271 -3.117 -14.527 278 HA ARG 38 HA ARG 38 12.354 -3.596 -11.797 279 HB2 ARG 38 1HB ARG 38 13.469 -1.490 -11.277 280 HB3 ARG 38 2HB ARG 38 14.521 -2.489 -12.282 281 HG2 ARG 38 1HG ARG 38 13.891 -1.136 -14.275 282 HG3 ARG 38 2HG ARG 38 12.877 -0.111 -13.240 283 HD2 ARG 38 1HD ARG 38 14.858 0.500 -11.904 284 HD3 ARG 38 2HD ARG 38 15.872 -0.522 -12.944 285 HE ARG 38 HE ARG 38 14.459 1.330 -14.579 286 HH11 ARG 38 1HH1 ARG 38 17.070 1.375 -12.198 287 HH12 ARG 38 2HH1 ARG 38 17.814 2.781 -12.909 288 HH21 ARG 38 1HH2 ARG 38 15.468 3.125 -15.423 289 HH22 ARG 38 2HH2 ARG 38 16.924 3.748 -14.699 290 H SER 39 H SER 39 10.960 -2.047 -10.604 291 HA SER 39 HA SER 39 9.193 -0.365 -12.276 292 HB2 SER 39 1HB SER 39 7.172 -1.412 -11.286 293 HB3 SER 39 2HB SER 39 8.085 -2.567 -12.281 294 HG SER 39 HG SER 39 7.343 -3.232 -10.072 295 H ARG 40 H ARG 40 7.866 1.057 -10.927 296 HA ARG 40 HA ARG 40 9.344 2.120 -8.682 297 HB2 ARG 40 1HB ARG 40 7.779 3.375 -10.277 298 HB3 ARG 40 2HB ARG 40 6.440 2.620 -9.407 299 HG2 ARG 40 1HG ARG 40 8.010 3.751 -7.396 300 HG3 ARG 40 2HG ARG 40 8.053 4.946 -8.699 301 HD2 ARG 40 1HD ARG 40 5.526 3.660 -7.634 302 HD3 ARG 40 2HD ARG 40 6.168 5.203 -7.046 303 HE ARG 40 HE ARG 40 5.996 5.622 -9.736 304 HH11 ARG 40 1HH1 ARG 40 3.609 4.441 -7.400 305 HH12 ARG 40 2HH1 ARG 40 2.279 5.136 -8.281 306 HH21 ARG 40 1HH2 ARG 40 4.228 6.468 -10.802 307 HH22 ARG 40 2HH2 ARG 40 2.622 6.247 -10.166 308 H GLY 41 H GLY 41 8.936 1.893 -6.502 309 HA2 GLY 41 1HA GLY 41 7.118 -0.355 -5.791 310 HA3 GLY 41 2HA GLY 41 8.539 0.153 -4.872 311 H ILE 42 H ILE 42 6.005 -0.261 -3.761 312 HA ILE 42 HA ILE 42 4.573 2.181 -3.380 313 HB ILE 42 HB ILE 42 3.669 -0.115 -2.897 314 HG12 ILE 42 1HG1 ILE 42 2.587 0.540 -0.664 315 HG13 ILE 42 2HG1 ILE 42 3.567 1.999 -0.729 316 HG21 ILE 42 1HG2 ILE 42 4.203 -1.294 -0.877 317 HG22 ILE 42 2HG2 ILE 42 5.730 -0.977 -1.714 318 HG23 ILE 42 3HG2 ILE 42 5.268 0.011 -0.304 319 HD11 ILE 42 1HD1 ILE 42 2.482 2.459 -3.011 320 HD12 ILE 42 2HD1 ILE 42 1.359 1.137 -2.611 321 HD13 ILE 42 3HD1 ILE 42 1.436 2.583 -1.584 322 H VAL 43 H VAL 43 7.474 0.852 -1.841 323 HA VAL 43 HA VAL 43 7.589 2.692 0.357 324 HB VAL 43 HB VAL 43 9.796 1.245 -1.190 325 HG11 VAL 43 1HG1 VAL 43 10.732 3.214 -0.002 326 HG12 VAL 43 2HG1 VAL 43 9.968 2.666 1.509 327 HG13 VAL 43 3HG1 VAL 43 11.255 1.699 0.754 328 HG21 VAL 43 1HG2 VAL 43 9.793 -0.281 0.753 329 HG22 VAL 43 2HG2 VAL 43 8.439 0.628 1.460 330 HG23 VAL 43 3HG2 VAL 43 8.218 -0.262 -0.063 331 H GLU 44 H GLU 44 8.697 2.828 -3.027 332 HA GLU 44 HA GLU 44 10.181 5.214 -2.844 333 HB2 GLU 44 1HB GLU 44 9.763 3.332 -4.689 334 HB3 GLU 44 2HB GLU 44 8.667 4.580 -5.304 335 HG2 GLU 44 1HG GLU 44 10.699 6.141 -4.909 336 HG3 GLU 44 2HG GLU 44 11.608 4.613 -4.965 337 H GLU 45 H GLU 45 6.705 4.749 -3.104 338 HA GLU 45 HA GLU 45 6.414 7.644 -3.732 339 HB2 GLU 45 1HB GLU 45 4.122 7.160 -4.317 340 HB3 GLU 45 2HB GLU 45 5.229 6.114 -5.200 341 HG2 GLU 45 1HG GLU 45 4.699 4.506 -3.135 342 HG3 GLU 45 2HG GLU 45 3.206 5.433 -3.150 343 H CYS 46 H CYS 46 5.900 5.331 -1.117 344 HA CYS 46 HA CYS 46 4.307 7.408 0.301 345 HB2 CYS 46 1HB CYS 46 4.695 4.465 0.861 346 HB3 CYS 46 2HB CYS 46 3.739 5.565 1.848 347 H CYS 47 H CYS 47 7.445 5.804 0.476 348 HA CYS 47 HA CYS 47 7.802 6.924 3.226 349 HB2 CYS 47 1HB CYS 47 8.270 4.509 2.877 350 HB3 CYS 47 2HB CYS 47 9.513 4.941 1.699 351 H PHE 48 H PHE 48 9.404 6.758 0.000 352 HA PHE 48 HA PHE 48 11.400 8.753 0.725 353 HB2 PHE 48 1HB PHE 48 10.420 7.628 -1.912 354 HB3 PHE 48 2HB PHE 48 11.625 8.906 -1.829 355 HD1 PHE 48 1HD PHE 48 13.894 8.481 -1.181 356 HD2 PHE 48 2HD PHE 48 10.971 5.337 -1.049 357 HE1 PHE 48 1HE PHE 48 15.714 6.795 -0.978 358 HE2 PHE 48 2HE PHE 48 12.771 3.653 -0.899 359 HZ PHE 48 HZ PHE 48 15.158 4.370 -0.843 360 H ARG 49 H ARG 49 8.192 8.763 -0.730 361 HA ARG 49 HA ARG 49 8.095 11.739 -0.444 362 HB2 ARG 49 1HB ARG 49 7.180 10.069 -2.819 363 HB3 ARG 49 2HB ARG 49 6.628 11.724 -2.524 364 HG2 ARG 49 1HG ARG 49 8.952 12.528 -2.609 365 HG3 ARG 49 2HG ARG 49 9.510 10.885 -2.979 366 HD2 ARG 49 1HD ARG 49 7.466 12.373 -4.646 367 HD3 ARG 49 2HD ARG 49 9.213 12.440 -4.958 368 HE ARG 49 HE ARG 49 8.604 9.727 -4.821 369 HH11 ARG 49 1HH1 ARG 49 7.557 12.421 -6.851 370 HH12 ARG 49 2HH1 ARG 49 7.303 11.401 -8.240 371 HH21 ARG 49 1HH2 ARG 49 8.288 8.488 -6.638 372 HH22 ARG 49 2HH2 ARG 49 7.707 9.210 -8.114 373 H SER 50 H SER 50 5.505 12.255 -0.803 374 HA SER 50 HA SER 50 4.111 10.459 1.109 375 HB2 SER 50 1HB SER 50 2.385 12.312 1.026 376 HB3 SER 50 2HB SER 50 3.974 12.799 1.652 377 HG SER 50 HG SER 50 3.020 14.238 0.057 378 H CYS 51 H CYS 51 1.960 9.662 0.583 379 HA CYS 51 HA CYS 51 1.304 9.566 -2.313 380 HB2 CYS 51 1HB CYS 51 1.025 7.153 -2.225 381 HB3 CYS 51 2HB CYS 51 2.674 7.574 -1.770 382 H ASP 52 H ASP 52 -0.882 8.611 -2.659 383 HA ASP 52 HA ASP 52 -2.721 9.553 -0.512 384 HB2 ASP 52 1HB ASP 52 -3.115 9.134 -3.497 385 HB3 ASP 52 2HB ASP 52 -4.376 9.669 -2.375 386 H LEU 53 H LEU 53 -4.694 8.373 -0.150 387 HA LEU 53 HA LEU 53 -4.385 5.583 0.194 388 HB2 LEU 53 1HB LEU 53 -5.973 7.011 1.438 389 HB3 LEU 53 2HB LEU 53 -6.910 7.262 -0.032 390 HG LEU 53 HG LEU 53 -7.477 4.847 -0.083 391 HD11 LEU 53 1HD1 LEU 53 -7.091 3.504 1.978 392 HD12 LEU 53 2HD1 LEU 53 -6.015 4.784 2.586 393 HD13 LEU 53 3HD1 LEU 53 -5.594 3.882 1.108 394 HD21 LEU 53 1HD2 LEU 53 -8.132 6.271 2.526 395 HD22 LEU 53 2HD2 LEU 53 -9.053 4.932 1.802 396 HD23 LEU 53 3HD2 LEU 53 -8.971 6.498 0.971 397 H ALA 54 H ALA 54 -6.140 7.357 -2.391 398 HA ALA 54 HA ALA 54 -7.194 5.041 -3.672 399 HB1 ALA 54 1HB ALA 54 -7.499 6.529 -5.622 400 HB2 ALA 54 2HB ALA 54 -8.006 7.336 -4.121 401 HB3 ALA 54 3HB ALA 54 -6.443 7.750 -4.875 402 H LEU 55 H LEU 55 -4.065 6.698 -4.008 403 HA LEU 55 HA LEU 55 -3.173 5.142 -6.265 404 HB2 LEU 55 1HB LEU 55 -2.048 7.184 -5.859 405 HB3 LEU 55 2HB LEU 55 -1.892 6.859 -4.141 406 HG LEU 55 HG LEU 55 -0.203 5.164 -4.554 407 HD11 LEU 55 1HD1 LEU 55 -0.674 5.841 -7.471 408 HD12 LEU 55 2HD1 LEU 55 -0.739 4.250 -6.664 409 HD13 LEU 55 3HD1 LEU 55 0.809 5.060 -6.876 410 HD21 LEU 55 1HD2 LEU 55 1.576 6.663 -5.203 411 HD22 LEU 55 2HD2 LEU 55 0.391 7.518 -4.203 412 HD23 LEU 55 3HD2 LEU 55 0.406 7.776 -5.962 413 H LEU 56 H LEU 56 -2.787 4.904 -2.702 414 HA LEU 56 HA LEU 56 -1.061 2.672 -2.767 415 HB2 LEU 56 1HB LEU 56 -1.728 4.248 -0.848 416 HB3 LEU 56 2HB LEU 56 -3.114 3.186 -0.596 417 HG LEU 56 HG LEU 56 -0.418 1.919 -0.762 418 HD11 LEU 56 1HD1 LEU 56 0.080 2.467 1.585 419 HD12 LEU 56 2HD1 LEU 56 -1.338 3.542 1.635 420 HD13 LEU 56 3HD1 LEU 56 0.033 3.919 0.566 421 HD21 LEU 56 1HD2 LEU 56 -2.370 0.523 -0.325 422 HD22 LEU 56 2HD2 LEU 56 -2.798 1.531 1.073 423 HD23 LEU 56 3HD2 LEU 56 -1.320 0.563 1.101 424 H GLU 57 H GLU 57 -4.577 2.887 -2.946 425 HA GLU 57 HA GLU 57 -5.182 0.143 -2.571 426 HB2 GLU 57 1HB GLU 57 -6.701 2.184 -2.607 427 HB3 GLU 57 2HB GLU 57 -6.660 2.084 -4.368 428 HG2 GLU 57 1HG GLU 57 -7.699 -0.109 -4.311 429 HG3 GLU 57 2HG GLU 57 -7.581 -0.151 -2.548 430 HE2 GLU 57 HE2 GLU 57 -9.654 -0.497 -2.617 431 H THR 58 H THR 58 -3.798 1.763 -5.400 432 HA THR 58 HA THR 58 -4.665 -0.342 -7.211 433 HB THR 58 HB THR 58 -3.359 0.726 -8.917 434 HG1 THR 58 1HG THR 58 -1.477 1.088 -7.624 435 HG21 THR 58 1HG2 THR 58 -4.361 2.968 -7.112 436 HG22 THR 58 2HG2 THR 58 -5.442 1.928 -8.066 437 HG23 THR 58 3HG2 THR 58 -4.252 2.967 -8.883 438 H TYR 59 H TYR 59 -2.214 -0.140 -4.844 439 HA TYR 59 HA TYR 59 -0.396 -1.999 -6.246 440 HB2 TYR 59 1HB TYR 59 -0.334 -0.438 -3.701 441 HB3 TYR 59 2HB TYR 59 0.590 -1.942 -3.751 442 HD1 TYR 59 1HD TYR 59 0.166 1.369 -5.430 443 HD2 TYR 59 2HD TYR 59 2.627 -2.133 -4.985 444 HE1 TYR 59 1HE TYR 59 1.967 2.456 -6.754 445 HE2 TYR 59 2HE TYR 59 4.439 -1.026 -6.300 446 HH TYR 59 HH TYR 59 5.040 0.777 -7.563 447 H CYS 60 H CYS 60 -3.344 -2.438 -4.807 448 HA CYS 60 HA CYS 60 -2.773 -4.771 -3.191 449 HB2 CYS 60 1HB CYS 60 -5.324 -3.908 -4.597 450 HB3 CYS 60 2HB CYS 60 -5.200 -5.180 -3.373 451 H ALA 61 H ALA 61 -3.224 -6.980 -3.719 452 HA ALA 61 HA ALA 61 -2.459 -7.572 -6.502 453 HB1 ALA 61 1HB ALA 61 -1.290 -8.702 -4.672 454 HB2 ALA 61 2HB ALA 61 -2.835 -9.374 -4.085 455 HB3 ALA 61 3HB ALA 61 -2.186 -9.878 -5.662 456 H THR 62 H THR 62 -3.558 -9.400 -7.622 457 HA THR 62 HA THR 62 -6.310 -8.819 -7.976 458 HB THR 62 HB THR 62 -6.244 -10.920 -9.411 459 HG1 THR 62 1HG THR 62 -4.542 -11.861 -8.020 460 HG21 THR 62 1HG2 THR 62 -3.902 -9.020 -9.860 461 HG22 THR 62 2HG2 THR 62 -5.588 -8.685 -10.329 462 HG23 THR 62 3HG2 THR 62 -4.703 -10.032 -11.080 463 HA PRO 63 HA PRO 63 -7.904 -11.405 -4.793 464 HB2 PRO 63 1HB PRO 63 -10.455 -11.872 -5.681 465 HB3 PRO 63 2HB PRO 63 -9.910 -10.284 -5.057 466 HG2 PRO 63 1HG PRO 63 -10.118 -11.223 -7.913 467 HG3 PRO 63 2HG PRO 63 -10.730 -9.706 -7.183 468 HD2 PRO 63 1HD PRO 63 -8.382 -9.804 -8.536 469 HD3 PRO 63 2HD PRO 63 -8.572 -8.759 -7.088 470 H ALA 64 H ALA 64 -8.460 -13.530 -4.291 471 HA ALA 64 HA ALA 64 -8.154 -15.501 -6.510 472 HB1 ALA 64 1HB ALA 64 -6.070 -15.315 -5.161 473 HB2 ALA 64 2HB ALA 64 -7.002 -15.663 -3.684 474 HB3 ALA 64 3HB ALA 64 -6.846 -16.902 -4.949 475 H LYS 65 H LYS 65 -9.075 -17.623 -6.000 476 HA LYS 65 HA LYS 65 -11.714 -17.377 -4.752 477 HB2 LYS 65 1HB LYS 65 -10.182 -19.724 -5.945 478 HB3 LYS 65 2HB LYS 65 -11.816 -19.852 -5.292 479 HG2 LYS 65 1HG LYS 65 -12.631 -18.257 -6.981 480 HG3 LYS 65 2HG LYS 65 -10.990 -18.131 -7.655 481 HD2 LYS 65 1HD LYS 65 -10.983 -20.534 -8.158 482 HD3 LYS 65 2HD LYS 65 -12.591 -20.719 -7.437 483 HE2 LYS 65 1HE LYS 65 -11.997 -18.911 -9.816 484 HE3 LYS 65 2HE LYS 65 -12.547 -20.593 -9.967 485 HZ1 LYS 65 1HZ LYS 65 -14.548 -19.993 -8.748 486 HZ2 LYS 65 2HZ LYS 65 -14.397 -19.045 -10.089 487 HZ3 LYS 65 3HZ LYS 65 -14.045 -18.431 -8.599 488 H SER 66 H SER 66 -12.430 -18.541 -2.936 489 HA SER 66 HA SER 66 -10.568 -20.193 -1.399 490 HB2 SER 66 1HB SER 66 -11.011 -18.844 0.698 491 HB3 SER 66 2HB SER 66 -9.960 -18.022 -0.474 492 HG SER 66 HG SER 66 -12.761 -17.601 -0.182 493 H GLU 67 H GLU 67 -11.815 -21.582 -0.062 494 HA GLU 67 HA GLU 67 -14.713 -21.573 -0.741 495 HB2 GLU 67 1HB GLU 67 -12.929 -23.817 0.312 496 HB3 GLU 67 2HB GLU 67 -14.645 -23.977 -0.073 497 HG2 GLU 67 1HG GLU 67 -14.169 -23.331 -2.449 498 HG3 GLU 67 2HG GLU 67 -12.453 -23.173 -2.071 Start of MODEL 4 1 HA ALA 1 HA ALA 1 -4.953 12.895 3.419 2 HB1 ALA 1 1HB ALA 1 -2.891 13.507 2.183 3 HB2 ALA 1 2HB ALA 1 -4.216 13.223 1.043 4 HB3 ALA 1 3HB ALA 1 -3.719 14.885 1.433 5 H TYR 2 H TYR 2 -6.289 15.333 4.331 6 HA TYR 2 HA TYR 2 -4.457 17.155 5.570 7 HB2 TYR 2 1HB TYR 2 -6.959 17.410 5.126 8 HB3 TYR 2 2HB TYR 2 -7.221 16.404 6.555 9 HD1 TYR 2 1HD TYR 2 -6.813 17.283 8.808 10 HD2 TYR 2 2HD TYR 2 -6.063 19.710 5.336 11 HE1 TYR 2 1HE TYR 2 -6.697 19.328 10.253 12 HE2 TYR 2 2HE TYR 2 -5.944 21.741 6.783 13 HH TYR 2 HH TYR 2 -6.079 22.577 8.900 14 H ARG 3 H ARG 3 -5.361 13.983 6.318 15 HA ARG 3 HA ARG 3 -5.095 13.896 9.136 16 HB2 ARG 3 1HB ARG 3 -4.710 11.457 8.810 17 HB3 ARG 3 2HB ARG 3 -6.106 12.075 7.931 18 HG2 ARG 3 1HG ARG 3 -5.290 10.901 6.197 19 HG3 ARG 3 2HG ARG 3 -4.197 12.270 5.982 20 HD2 ARG 3 1HD ARG 3 -2.896 10.268 5.873 21 HD3 ARG 3 2HD ARG 3 -2.516 11.090 7.384 22 HE ARG 3 HE ARG 3 -4.598 9.173 7.808 23 HH11 ARG 3 1HH1 ARG 3 -1.093 9.321 7.325 24 HH12 ARG 3 2HH1 ARG 3 -0.842 7.796 8.126 25 HH21 ARG 3 1HH2 ARG 3 -4.170 7.237 8.831 26 HH22 ARG 3 2HH2 ARG 3 -2.529 6.655 8.965 27 HA PRO 4 HA PRO 4 -0.768 14.390 9.790 28 HB2 PRO 4 1HB PRO 4 -0.392 13.071 12.147 29 HB3 PRO 4 2HB PRO 4 -1.382 14.564 12.051 30 HG2 PRO 4 1HG PRO 4 -2.280 11.692 11.984 31 HG3 PRO 4 2HG PRO 4 -2.846 13.023 13.044 32 HD2 PRO 4 1HD PRO 4 -4.183 12.343 10.798 33 HD3 PRO 4 2HD PRO 4 -4.023 14.066 11.300 34 H SER 5 H SER 5 1.267 13.011 10.414 35 HA SER 5 HA SER 5 2.770 11.477 9.637 36 HB2 SER 5 1HB SER 5 2.187 9.067 9.831 37 HB3 SER 5 2HB SER 5 1.863 10.013 11.290 38 HG SER 5 HG SER 5 -0.323 9.993 9.730 39 H GLU 6 H GLU 6 2.497 12.715 7.648 40 HA GLU 6 HA GLU 6 0.922 11.814 5.465 41 HB2 GLU 6 1HB GLU 6 2.227 13.362 4.162 42 HB3 GLU 6 2HB GLU 6 1.921 14.076 5.749 43 HG2 GLU 6 1HG GLU 6 4.232 13.376 6.455 44 HG3 GLU 6 2HG GLU 6 4.516 12.799 4.810 45 HE2 GLU 6 HE2 GLU 6 4.912 14.084 3.374 46 H THR 7 H THR 7 3.833 10.462 6.726 47 HA THR 7 HA THR 7 4.288 8.964 4.182 48 HB THR 7 HB THR 7 6.711 8.807 5.294 49 HG1 THR 7 1HG THR 7 7.185 10.710 6.426 50 HG21 THR 7 1HG2 THR 7 5.650 11.242 3.825 51 HG22 THR 7 2HG2 THR 7 6.373 9.783 3.117 52 HG23 THR 7 3HG2 THR 7 7.373 10.888 4.074 53 H LEU 8 H LEU 8 4.998 6.883 4.334 54 HA LEU 8 HA LEU 8 4.588 5.550 6.988 55 HB2 LEU 8 1HB LEU 8 3.669 4.708 4.234 56 HB3 LEU 8 2HB LEU 8 3.673 3.669 5.641 57 HG LEU 8 HG LEU 8 2.068 6.169 5.464 58 HD11 LEU 8 1HD1 LEU 8 1.308 3.323 4.892 59 HD12 LEU 8 2HD1 LEU 8 1.419 4.649 3.710 60 HD13 LEU 8 3HD1 LEU 8 0.176 4.690 4.979 61 HD21 LEU 8 1HD2 LEU 8 2.473 5.435 7.769 62 HD22 LEU 8 2HD2 LEU 8 1.901 3.802 7.345 63 HD23 LEU 8 3HD2 LEU 8 0.778 5.174 7.321 64 H CYS 9 H CYS 9 6.146 4.262 7.532 65 HA CYS 9 HA CYS 9 7.768 2.748 5.661 66 HB2 CYS 9 1HB CYS 9 8.589 5.396 6.050 67 HB3 CYS 9 2HB CYS 9 9.568 4.494 7.210 68 H GLY 10 H GLY 10 9.749 1.866 7.206 69 HA2 GLY 10 1HA GLY 10 10.280 0.709 9.138 70 HA3 GLY 10 2HA GLY 10 9.400 1.974 10.004 71 H GLY 11 H GLY 11 7.883 -0.217 7.658 72 HA2 GLY 11 1HA GLY 11 6.618 -2.155 8.133 73 HA3 GLY 11 2HA GLY 11 6.748 -1.818 9.861 74 H GLU 12 H GLU 12 5.848 1.077 9.388 75 HA GLU 12 HA GLU 12 3.046 0.627 9.805 76 HB2 GLU 12 1HB GLU 12 4.522 3.147 8.957 77 HB3 GLU 12 2HB GLU 12 2.854 3.098 9.527 78 HG2 GLU 12 1HG GLU 12 5.193 2.139 11.210 79 HG3 GLU 12 2HG GLU 12 4.608 3.807 11.217 80 H LEU 13 H LEU 13 4.964 1.143 6.924 81 HA LEU 13 HA LEU 13 2.826 1.808 5.129 82 HB2 LEU 13 1HB LEU 13 5.224 2.109 4.620 83 HB3 LEU 13 2HB LEU 13 5.487 0.373 4.684 84 HG LEU 13 HG LEU 13 4.266 0.017 2.650 85 HD11 LEU 13 1HD1 LEU 13 2.449 1.599 2.811 86 HD12 LEU 13 2HD1 LEU 13 3.359 1.960 1.339 87 HD13 LEU 13 3HD1 LEU 13 3.578 2.973 2.776 88 HD21 LEU 13 1HD2 LEU 13 6.630 0.738 2.508 89 HD22 LEU 13 2HD2 LEU 13 6.108 2.437 2.416 90 HD23 LEU 13 3HD2 LEU 13 5.698 1.307 1.104 91 H VAL 14 H VAL 14 4.254 -1.268 6.266 92 HA VAL 14 HA VAL 14 2.769 -2.976 4.478 93 HB VAL 14 HB VAL 14 4.133 -3.589 7.154 94 HG11 VAL 14 1HG1 VAL 14 2.500 -5.319 6.626 95 HG12 VAL 14 2HG1 VAL 14 3.156 -5.467 4.978 96 HG13 VAL 14 3HG1 VAL 14 4.141 -5.941 6.381 97 HG21 VAL 14 1HG2 VAL 14 5.991 -4.444 5.785 98 HG22 VAL 14 2HG2 VAL 14 5.124 -3.992 4.301 99 HG23 VAL 14 3HG2 VAL 14 5.699 -2.733 5.422 100 H ASP 15 H ASP 15 2.317 -1.779 7.807 101 HA ASP 15 HA ASP 15 -0.001 -3.289 8.468 102 HB2 ASP 15 1HB ASP 15 1.377 -1.872 10.016 103 HB3 ASP 15 2HB ASP 15 0.701 -0.430 9.249 104 H THR 16 H THR 16 0.360 -0.081 6.913 105 HA THR 16 HA THR 16 -2.431 0.352 6.502 106 HB THR 16 HB THR 16 -0.121 1.367 4.789 107 HG1 THR 16 1HG THR 16 0.070 1.811 7.069 108 HG21 THR 16 1HG2 THR 16 -1.676 3.317 4.465 109 HG22 THR 16 2HG2 THR 16 -2.959 2.387 5.270 110 HG23 THR 16 3HG2 THR 16 -2.270 1.818 3.727 111 H LEU 17 H LEU 17 0.041 -1.299 4.465 112 HA LEU 17 HA LEU 17 -1.679 -1.643 2.198 113 HB2 LEU 17 1HB LEU 17 0.780 -3.030 3.230 114 HB3 LEU 17 2HB LEU 17 -0.105 -3.714 1.871 115 HG LEU 17 HG LEU 17 0.703 -0.819 1.786 116 HD11 LEU 17 1HD1 LEU 17 2.726 -2.050 2.426 117 HD12 LEU 17 2HD1 LEU 17 2.830 -1.419 0.773 118 HD13 LEU 17 3HD1 LEU 17 2.494 -3.146 1.043 119 HD21 LEU 17 1HD2 LEU 17 0.521 -2.950 -0.390 120 HD22 LEU 17 2HD2 LEU 17 0.722 -1.198 -0.615 121 HD23 LEU 17 3HD2 LEU 17 -0.802 -1.841 0.031 122 H GLN 18 H GLN 18 -1.212 -3.600 5.164 123 HA GLN 18 HA GLN 18 -2.913 -5.763 4.273 124 HB2 GLN 18 1HB GLN 18 -2.112 -4.781 7.037 125 HB3 GLN 18 2HB GLN 18 -3.129 -6.201 6.765 126 HG2 GLN 18 1HG GLN 18 -1.340 -7.267 5.477 127 HG3 GLN 18 2HG GLN 18 -0.308 -5.850 5.709 128 HE21 GLN 18 1HE2 GLN 18 1.056 -7.734 8.344 129 HE22 GLN 18 2HE2 GLN 18 1.265 -7.173 6.705 130 H PHE 19 H PHE 19 -3.531 -2.703 6.040 131 HA PHE 19 HA PHE 19 -6.315 -3.236 6.501 132 HB2 PHE 19 1HB PHE 19 -5.247 -1.505 7.748 133 HB3 PHE 19 2HB PHE 19 -4.676 -0.699 6.290 134 HD1 PHE 19 1HD PHE 19 -5.855 1.084 5.377 135 HD2 PHE 19 2HD PHE 19 -7.888 -1.654 7.998 136 HE1 PHE 19 1HE PHE 19 -7.886 2.527 5.298 137 HE2 PHE 19 2HE PHE 19 -9.922 -0.223 7.925 138 HZ PHE 19 HZ PHE 19 -9.928 1.873 6.571 139 H VAL 20 H VAL 20 -4.674 -1.449 3.831 140 HA VAL 20 HA VAL 20 -7.177 -0.717 2.598 141 HB VAL 20 HB VAL 20 -4.318 -0.729 1.499 142 HG11 VAL 20 1HG1 VAL 20 -6.854 0.518 0.346 143 HG12 VAL 20 2HG1 VAL 20 -5.201 0.884 -0.204 144 HG13 VAL 20 3HG1 VAL 20 -5.852 -0.752 -0.392 145 HG21 VAL 20 1HG2 VAL 20 -4.501 1.746 1.895 146 HG22 VAL 20 2HG2 VAL 20 -6.076 1.469 2.680 147 HG23 VAL 20 3HG2 VAL 20 -4.600 0.803 3.388 148 H CYS 21 H CYS 21 -4.834 -3.370 1.958 149 HA CYS 21 HA CYS 21 -6.477 -4.195 -0.346 150 HB2 CYS 21 1HB CYS 21 -3.959 -5.404 0.823 151 HB3 CYS 21 2HB CYS 21 -4.717 -5.841 -0.716 152 H GLY 22 H GLY 22 -6.208 -5.025 3.022 153 HA2 GLY 22 1HA GLY 22 -7.361 -6.584 4.242 154 HA3 GLY 22 2HA GLY 22 -8.467 -6.709 2.869 155 H ASP 23 H ASP 23 -8.851 -8.776 2.743 156 HA ASP 23 HA ASP 23 -6.915 -10.875 3.154 157 HB2 ASP 23 1HB ASP 23 -8.742 -12.320 2.385 158 HB3 ASP 23 2HB ASP 23 -9.372 -11.109 3.513 159 H ARG 24 H ARG 24 -7.509 -8.792 0.519 160 HA ARG 24 HA ARG 24 -7.185 -10.794 -1.554 161 HB2 ARG 24 1HB ARG 24 -6.999 -7.794 -1.910 162 HB3 ARG 24 2HB ARG 24 -7.524 -9.015 -3.080 163 HG2 ARG 24 1HG ARG 24 -9.422 -9.531 -1.350 164 HG3 ARG 24 2HG ARG 24 -8.982 -7.978 -0.630 165 HD2 ARG 24 1HD ARG 24 -10.658 -7.351 -2.047 166 HD3 ARG 24 2HD ARG 24 -9.234 -7.096 -3.084 167 HE ARG 24 HE ARG 24 -10.083 -9.763 -3.434 168 HH11 ARG 24 1HH1 ARG 24 -11.389 -6.555 -4.071 169 HH12 ARG 24 2HH1 ARG 24 -12.371 -7.108 -5.405 170 HH21 ARG 24 1HH2 ARG 24 -11.344 -10.409 -5.140 171 HH22 ARG 24 2HH2 ARG 24 -12.340 -9.266 -5.997 172 H GLY 25 H GLY 25 -4.946 -8.977 0.332 173 HA2 GLY 25 1HA GLY 25 -2.665 -9.402 0.382 174 HA3 GLY 25 2HA GLY 25 -2.792 -10.305 -1.128 175 H PHE 26 H PHE 26 -0.631 -8.790 -0.866 176 HA PHE 26 HA PHE 26 -0.968 -6.706 -2.900 177 HB2 PHE 26 1HB PHE 26 -0.057 -4.918 -1.528 178 HB3 PHE 26 2HB PHE 26 -1.534 -5.545 -0.786 179 HD1 PHE 26 1HD PHE 26 2.161 -5.390 -0.484 180 HD2 PHE 26 2HD PHE 26 -1.520 -6.670 1.343 181 HE1 PHE 26 1HE PHE 26 3.371 -5.810 1.652 182 HE2 PHE 26 2HE PHE 26 -0.315 -7.093 3.475 183 HZ PHE 26 HZ PHE 26 2.134 -6.667 3.630 184 H TYR 27 H TYR 27 1.226 -5.782 -3.483 185 HA TYR 27 HA TYR 27 3.436 -7.655 -2.704 186 HB2 TYR 27 1HB TYR 27 2.864 -6.614 -5.494 187 HB3 TYR 27 2HB TYR 27 4.262 -7.584 -5.019 188 HD1 TYR 27 1HD TYR 27 1.221 -7.806 -6.657 189 HD2 TYR 27 2HD TYR 27 3.423 -9.833 -3.557 190 HE1 TYR 27 1HE TYR 27 -0.052 -9.903 -7.107 191 HE2 TYR 27 2HE TYR 27 2.130 -11.912 -4.002 192 HH TYR 27 HH TYR 27 0.465 -12.893 -5.230 193 H PHE 28 H PHE 28 5.574 -6.836 -2.840 194 HA PHE 28 HA PHE 28 5.702 -3.859 -2.637 195 HB2 PHE 28 1HB PHE 28 7.015 -6.081 -1.266 196 HB3 PHE 28 2HB PHE 28 8.157 -4.876 -1.851 197 HD1 PHE 28 1HD PHE 28 5.050 -5.293 0.196 198 HD2 PHE 28 2HD PHE 28 8.449 -2.816 -0.723 199 HE1 PHE 28 1HE PHE 28 4.516 -3.840 2.136 200 HE2 PHE 28 2HE PHE 28 7.905 -1.347 1.211 201 HZ PHE 28 HZ PHE 28 5.925 -1.853 2.640 202 H SER 29 H SER 29 6.929 -2.674 -3.926 203 HA SER 29 HA SER 29 7.953 -3.926 -6.349 204 HB2 SER 29 1HB SER 29 8.400 -1.039 -6.033 205 HB3 SER 29 2HB SER 29 7.500 -1.925 -7.271 206 HG SER 29 HG SER 29 5.748 -2.045 -5.836 207 H ARG 30 H ARG 30 9.648 -5.106 -4.925 208 HA ARG 30 HA ARG 30 11.988 -3.422 -4.293 209 HB2 ARG 30 1HB ARG 30 13.018 -5.458 -3.449 210 HB3 ARG 30 2HB ARG 30 11.404 -5.243 -2.787 211 HG2 ARG 30 1HG ARG 30 11.176 -7.426 -3.249 212 HG3 ARG 30 2HG ARG 30 10.822 -6.879 -4.895 213 HD2 ARG 30 1HD ARG 30 12.980 -7.440 -5.670 214 HD3 ARG 30 2HD ARG 30 13.671 -7.415 -4.041 215 HE ARG 30 HE ARG 30 12.921 -9.581 -3.649 216 HH11 ARG 30 1HH1 ARG 30 11.673 -8.504 -6.775 217 HH12 ARG 30 2HH1 ARG 30 11.174 -10.115 -7.225 218 HH21 ARG 30 1HH2 ARG 30 12.277 -11.597 -4.303 219 HH22 ARG 30 2HH2 ARG 30 11.517 -11.831 -5.853 220 HA PRO 31 HA PRO 31 13.813 -3.946 -8.239 221 HB2 PRO 31 1HB PRO 31 16.463 -3.575 -7.776 222 HB3 PRO 31 2HB PRO 31 15.276 -2.249 -7.560 223 HG2 PRO 31 1HG PRO 31 16.436 -4.104 -5.491 224 HG3 PRO 31 2HG PRO 31 16.355 -2.311 -5.479 225 HD2 PRO 31 1HD PRO 31 14.513 -3.834 -4.191 226 HD3 PRO 31 2HD PRO 31 14.054 -2.300 -5.018 227 H ALA 32 H ALA 32 15.209 -5.322 -9.568 228 HA ALA 32 HA ALA 32 15.971 -7.892 -8.244 229 HB1 ALA 32 1HB ALA 32 15.201 -9.063 -10.268 230 HB2 ALA 32 2HB ALA 32 13.865 -8.119 -9.567 231 HB3 ALA 32 3HB ALA 32 14.724 -7.520 -11.008 232 H SER 33 H SER 33 17.450 -5.342 -9.084 233 HA SER 33 HA SER 33 19.235 -6.336 -11.231 234 HB2 SER 33 1HB SER 33 20.258 -3.975 -10.711 235 HB3 SER 33 2HB SER 33 18.688 -4.075 -11.536 236 HG SER 33 HG SER 33 19.272 -3.321 -8.889 237 H ARG 34 H ARG 34 21.603 -6.248 -10.865 238 HA ARG 34 HA ARG 34 22.421 -7.617 -8.483 239 HB2 ARG 34 1HB ARG 34 23.829 -6.304 -10.782 240 HB3 ARG 34 2HB ARG 34 24.755 -6.607 -9.310 241 HG2 ARG 34 1HG ARG 34 23.887 -9.032 -9.452 242 HG3 ARG 34 2HG ARG 34 23.442 -8.631 -11.130 243 HD2 ARG 34 1HD ARG 34 25.778 -7.953 -11.578 244 HD3 ARG 34 2HD ARG 34 26.202 -8.293 -9.890 245 HE ARG 34 HE ARG 34 25.065 -10.626 -11.099 246 HH11 ARG 34 1HH1 ARG 34 28.070 -8.763 -11.085 247 HH12 ARG 34 2HH1 ARG 34 29.036 -10.142 -11.535 248 HH21 ARG 34 1HH2 ARG 34 26.374 -12.344 -11.672 249 HH22 ARG 34 2HH2 ARG 34 28.091 -12.126 -11.856 250 H VAL 35 H VAL 35 22.016 -4.212 -9.112 251 HA VAL 35 HA VAL 35 23.201 -3.658 -6.440 252 HB VAL 35 HB VAL 35 23.739 -1.359 -7.279 253 HG11 VAL 35 1HG1 VAL 35 25.099 -3.577 -8.865 254 HG12 VAL 35 2HG1 VAL 35 25.780 -1.980 -8.480 255 HG13 VAL 35 3HG1 VAL 35 25.468 -3.147 -7.180 256 HG21 VAL 35 1HG2 VAL 35 22.172 -1.274 -9.215 257 HG22 VAL 35 2HG2 VAL 35 23.837 -0.908 -9.705 258 HG23 VAL 35 3HG2 VAL 35 23.143 -2.505 -10.055 259 H SER 36 H SER 36 22.030 -2.334 -5.100 260 HA SER 36 HA SER 36 19.246 -1.737 -6.014 261 HB2 SER 36 1HB SER 36 20.297 -2.402 -3.239 262 HB3 SER 36 2HB SER 36 18.609 -2.018 -3.646 263 HG SER 36 HG SER 36 19.294 -4.335 -3.555 264 H ARG 37 H ARG 37 19.850 0.357 -6.780 265 HA ARG 37 HA ARG 37 21.242 2.233 -5.074 266 HB2 ARG 37 1HB ARG 37 19.485 2.677 -7.520 267 HB3 ARG 37 2HB ARG 37 20.443 3.935 -6.724 268 HG2 ARG 37 1HG ARG 37 22.507 2.643 -7.180 269 HG3 ARG 37 2HG ARG 37 21.548 1.421 -8.039 270 HD2 ARG 37 1HD ARG 37 20.776 3.162 -9.627 271 HD3 ARG 37 2HD ARG 37 21.766 4.367 -8.786 272 HE ARG 37 HE ARG 37 22.686 2.247 -10.600 273 HH11 ARG 37 1HH1 ARG 37 23.692 4.691 -8.248 274 HH12 ARG 37 2HH1 ARG 37 25.331 4.716 -8.849 275 HH21 ARG 37 1HH2 ARG 37 24.795 2.332 -11.290 276 HH22 ARG 37 2HH2 ARG 37 25.940 3.403 -10.524 277 H ARG 38 H ARG 38 17.783 1.680 -5.781 278 HA ARG 38 HA ARG 38 17.066 2.854 -3.176 279 HB2 ARG 38 1HB ARG 38 15.924 3.907 -5.817 280 HB3 ARG 38 2HB ARG 38 15.204 4.183 -4.233 281 HG2 ARG 38 1HG ARG 38 17.308 5.379 -3.548 282 HG3 ARG 38 2HG ARG 38 17.845 5.256 -5.237 283 HD2 ARG 38 1HD ARG 38 15.716 6.410 -5.930 284 HD3 ARG 38 2HD ARG 38 15.325 6.640 -4.220 285 HE ARG 38 HE ARG 38 17.321 8.074 -5.815 286 HH11 ARG 38 1HH1 ARG 38 16.190 7.423 -2.528 287 HH12 ARG 38 2HH1 ARG 38 16.982 8.834 -1.884 288 HH21 ARG 38 1HH2 ARG 38 18.293 9.858 -4.912 289 HH22 ARG 38 2HH2 ARG 38 18.143 10.181 -3.208 290 H SER 39 H SER 39 14.883 2.168 -2.609 291 HA SER 39 HA SER 39 13.826 -0.140 -4.153 292 HB2 SER 39 1HB SER 39 12.003 0.358 -2.220 293 HB3 SER 39 2HB SER 39 13.472 -0.594 -1.903 294 HG SER 39 HG SER 39 13.274 1.044 -0.359 295 H ARG 40 H ARG 40 11.570 0.144 -5.049 296 HA ARG 40 HA ARG 40 11.066 3.026 -5.681 297 HB2 ARG 40 1HB ARG 40 10.644 2.427 -7.969 298 HB3 ARG 40 2HB ARG 40 12.260 1.901 -7.515 299 HG2 ARG 40 1HG ARG 40 11.787 -0.286 -7.897 300 HG3 ARG 40 2HG ARG 40 10.173 -0.172 -7.172 301 HD2 ARG 40 1HD ARG 40 9.956 -0.664 -9.549 302 HD3 ARG 40 2HD ARG 40 9.323 0.949 -9.189 303 HE ARG 40 HE ARG 40 11.156 1.951 -10.293 304 HH11 ARG 40 1HH1 ARG 40 11.341 -1.574 -10.513 305 HH12 ARG 40 2HH1 ARG 40 12.488 -1.519 -11.827 306 HH21 ARG 40 1HH2 ARG 40 12.614 1.933 -11.959 307 HH22 ARG 40 2HH2 ARG 40 13.193 0.431 -12.626 308 H GLY 41 H GLY 41 8.916 3.145 -7.051 309 HA2 GLY 41 1HA GLY 41 6.643 2.779 -7.183 310 HA3 GLY 41 2HA GLY 41 6.939 1.137 -6.600 311 H ILE 42 H ILE 42 6.082 0.578 -4.715 312 HA ILE 42 HA ILE 42 4.443 2.397 -3.306 313 HB ILE 42 HB ILE 42 4.139 -0.088 -3.419 314 HG12 ILE 42 1HG1 ILE 42 3.425 -0.375 -1.028 315 HG13 ILE 42 2HG1 ILE 42 4.184 1.172 -0.659 316 HG21 ILE 42 1HG2 ILE 42 6.274 -0.236 -1.237 317 HG22 ILE 42 2HG2 ILE 42 5.337 -1.581 -1.922 318 HG23 ILE 42 3HG2 ILE 42 6.527 -0.729 -2.930 319 HD11 ILE 42 1HD1 ILE 42 1.934 0.789 -2.657 320 HD12 ILE 42 2HD1 ILE 42 1.733 1.309 -0.976 321 HD13 ILE 42 3HD1 ILE 42 2.621 2.338 -2.113 322 H VAL 43 H VAL 43 7.839 1.468 -2.699 323 HA VAL 43 HA VAL 43 7.886 2.790 -0.113 324 HB VAL 43 HB VAL 43 10.227 2.121 -1.957 325 HG11 VAL 43 1HG1 VAL 43 10.856 3.731 -0.214 326 HG12 VAL 43 2HG1 VAL 43 10.076 2.734 1.033 327 HG13 VAL 43 3HG1 VAL 43 11.527 2.142 0.192 328 HG21 VAL 43 1HG2 VAL 43 10.450 0.101 -0.460 329 HG22 VAL 43 2HG2 VAL 43 8.870 0.505 0.241 330 HG23 VAL 43 3HG2 VAL 43 9.004 0.079 -1.482 331 H GLU 44 H GLU 44 8.647 3.703 -3.460 332 HA GLU 44 HA GLU 44 9.855 6.207 -2.841 333 HB2 GLU 44 1HB GLU 44 8.901 4.745 -5.157 334 HB3 GLU 44 2HB GLU 44 8.630 6.485 -5.316 335 HG2 GLU 44 1HG GLU 44 10.924 6.961 -4.925 336 HG3 GLU 44 2HG GLU 44 11.268 5.265 -4.531 337 H GLU 45 H GLU 45 6.511 5.295 -3.630 338 HA GLU 45 HA GLU 45 5.683 8.052 -3.598 339 HB2 GLU 45 1HB GLU 45 3.480 7.201 -3.992 340 HB3 GLU 45 2HB GLU 45 4.633 6.275 -4.954 341 HG2 GLU 45 1HG GLU 45 4.586 4.588 -3.001 342 HG3 GLU 45 2HG GLU 45 3.131 5.433 -2.478 343 H CYS 46 H CYS 46 5.753 5.525 -1.073 344 HA CYS 46 HA CYS 46 4.104 7.348 0.620 345 HB2 CYS 46 1HB CYS 46 4.700 4.394 0.872 346 HB3 CYS 46 2HB CYS 46 3.835 5.345 2.078 347 H CYS 47 H CYS 47 7.382 6.099 0.442 348 HA CYS 47 HA CYS 47 7.772 6.982 3.277 349 HB2 CYS 47 1HB CYS 47 8.379 4.636 2.779 350 HB3 CYS 47 2HB CYS 47 9.545 5.203 1.581 351 H PHE 48 H PHE 48 9.280 7.123 0.002 352 HA PHE 48 HA PHE 48 11.083 9.256 0.861 353 HB2 PHE 48 1HB PHE 48 10.364 8.120 -1.859 354 HB3 PHE 48 2HB PHE 48 11.449 9.491 -1.653 355 HD1 PHE 48 1HD PHE 48 11.175 5.859 -1.525 356 HD2 PHE 48 2HD PHE 48 13.569 9.221 -0.316 357 HE1 PHE 48 1HE PHE 48 13.109 4.347 -1.208 358 HE2 PHE 48 2HE PHE 48 15.510 7.704 0.048 359 HZ PHE 48 HZ PHE 48 15.291 5.260 -0.408 360 H ARG 49 H ARG 49 7.929 9.042 -0.757 361 HA ARG 49 HA ARG 49 7.598 11.966 -0.183 362 HB2 ARG 49 1HB ARG 49 6.562 10.458 -2.618 363 HB3 ARG 49 2HB ARG 49 6.071 12.088 -2.150 364 HG2 ARG 49 1HG ARG 49 8.609 12.623 -2.201 365 HG3 ARG 49 2HG ARG 49 8.715 11.159 -3.198 366 HD2 ARG 49 1HD ARG 49 8.451 12.940 -4.738 367 HD3 ARG 49 2HD ARG 49 6.838 12.200 -4.620 368 HE ARG 49 HE ARG 49 7.102 14.299 -2.688 369 HH11 ARG 49 1HH1 ARG 49 6.698 13.900 -6.171 370 HH12 ARG 49 2HH1 ARG 49 5.936 15.460 -6.355 371 HH21 ARG 49 1HH2 ARG 49 6.132 16.272 -2.998 372 HH22 ARG 49 2HH2 ARG 49 5.621 16.775 -4.589 373 H SER 50 H SER 50 5.055 12.363 -0.438 374 HA SER 50 HA SER 50 3.757 10.547 1.502 375 HB2 SER 50 1HB SER 50 2.680 13.074 0.192 376 HB3 SER 50 2HB SER 50 2.044 12.259 1.638 377 HG SER 50 HG SER 50 3.393 14.130 2.039 378 H CYS 51 H CYS 51 1.742 9.473 1.026 379 HA CYS 51 HA CYS 51 0.991 9.412 -1.868 380 HB2 CYS 51 1HB CYS 51 0.638 6.989 -1.692 381 HB3 CYS 51 2HB CYS 51 2.312 7.442 -1.421 382 H ASP 52 H ASP 52 -1.152 8.358 -2.226 383 HA ASP 52 HA ASP 52 -3.069 9.242 -0.097 384 HB2 ASP 52 1HB ASP 52 -3.341 9.270 -3.126 385 HB3 ASP 52 2HB ASP 52 -4.627 9.697 -1.986 386 H LEU 53 H LEU 53 -5.138 8.075 -0.089 387 HA LEU 53 HA LEU 53 -4.778 5.313 0.166 388 HB2 LEU 53 1HB LEU 53 -6.544 6.640 1.252 389 HB3 LEU 53 2HB LEU 53 -7.325 6.900 -0.304 390 HG LEU 53 HG LEU 53 -7.806 4.474 -0.466 391 HD11 LEU 53 1HD1 LEU 53 -6.661 4.402 2.352 392 HD12 LEU 53 2HD1 LEU 53 -6.027 3.556 0.921 393 HD13 LEU 53 3HD1 LEU 53 -7.601 3.096 1.592 394 HD21 LEU 53 1HD2 LEU 53 -8.786 5.834 2.074 395 HD22 LEU 53 2HD2 LEU 53 -9.581 4.477 1.237 396 HD23 LEU 53 3HD2 LEU 53 -9.458 6.059 0.441 397 H ALA 54 H ALA 54 -6.409 7.004 -2.570 398 HA ALA 54 HA ALA 54 -7.168 4.628 -3.927 399 HB1 ALA 54 1HB ALA 54 -7.438 6.093 -5.900 400 HB2 ALA 54 2HB ALA 54 -8.104 6.863 -4.442 401 HB3 ALA 54 3HB ALA 54 -6.525 7.382 -5.082 402 H LEU 55 H LEU 55 -4.164 6.516 -4.044 403 HA LEU 55 HA LEU 55 -2.998 5.059 -6.231 404 HB2 LEU 55 1HB LEU 55 -2.060 7.161 -5.766 405 HB3 LEU 55 2HB LEU 55 -2.026 6.871 -4.038 406 HG LEU 55 HG LEU 55 -0.148 5.365 -4.265 407 HD11 LEU 55 1HD1 LEU 55 1.116 5.278 -6.432 408 HD12 LEU 55 2HD1 LEU 55 -0.311 5.982 -7.234 409 HD13 LEU 55 3HD1 LEU 55 -0.407 4.391 -6.435 410 HD21 LEU 55 1HD2 LEU 55 1.508 7.063 -4.907 411 HD22 LEU 55 2HD2 LEU 55 0.228 7.723 -3.880 412 HD23 LEU 55 3HD2 LEU 55 0.217 8.045 -5.632 413 H LEU 56 H LEU 56 -2.749 4.781 -2.653 414 HA LEU 56 HA LEU 56 -0.830 2.700 -2.676 415 HB2 LEU 56 1HB LEU 56 -1.695 4.203 -0.779 416 HB3 LEU 56 2HB LEU 56 -2.993 3.036 -0.570 417 HG LEU 56 HG LEU 56 -0.134 2.123 -0.538 418 HD11 LEU 56 1HD1 LEU 56 -0.011 2.583 1.870 419 HD12 LEU 56 2HD1 LEU 56 -1.593 3.392 1.796 420 HD13 LEU 56 3HD1 LEU 56 -0.199 4.075 0.933 421 HD21 LEU 56 1HD2 LEU 56 -1.798 0.365 -0.404 422 HD22 LEU 56 2HD2 LEU 56 -2.661 1.219 0.885 423 HD23 LEU 56 3HD2 LEU 56 -1.054 0.542 1.190 424 H GLU 57 H GLU 57 -4.350 2.645 -2.929 425 HA GLU 57 HA GLU 57 -4.814 -0.124 -2.592 426 HB2 GLU 57 1HB GLU 57 -6.435 1.829 -2.698 427 HB3 GLU 57 2HB GLU 57 -6.300 1.760 -4.452 428 HG2 GLU 57 1HG GLU 57 -7.268 -0.436 -4.505 429 HG3 GLU 57 2HG GLU 57 -7.182 -0.568 -2.747 430 HE2 GLU 57 HE2 GLU 57 -10.332 0.513 -2.578 431 H THR 58 H THR 58 -3.342 1.518 -5.325 432 HA THR 58 HA THR 58 -4.107 -0.498 -7.257 433 HB THR 58 HB THR 58 -2.564 0.590 -8.782 434 HG1 THR 58 1HG THR 58 -1.706 2.144 -6.540 435 HG21 THR 58 1HG2 THR 58 -3.901 2.696 -7.026 436 HG22 THR 58 2HG2 THR 58 -4.747 1.715 -8.239 437 HG23 THR 58 3HG2 THR 58 -3.471 2.849 -8.745 438 H TYR 59 H TYR 59 -1.795 -0.500 -4.733 439 HA TYR 59 HA TYR 59 -0.047 -2.447 -6.132 440 HB2 TYR 59 1HB TYR 59 0.139 -0.968 -3.503 441 HB3 TYR 59 2HB TYR 59 1.207 -2.325 -3.895 442 HD1 TYR 59 1HD TYR 59 2.893 -2.182 -5.638 443 HD2 TYR 59 2HD TYR 59 0.296 1.159 -4.835 444 HE1 TYR 59 1HE TYR 59 4.333 -0.708 -7.053 445 HE2 TYR 59 2HE TYR 59 1.736 2.611 -6.253 446 HH TYR 59 HH TYR 59 4.527 1.326 -8.059 447 H CYS 60 H CYS 60 -2.962 -2.711 -4.763 448 HA CYS 60 HA CYS 60 -2.547 -5.058 -3.096 449 HB2 CYS 60 1HB CYS 60 -5.017 -4.127 -4.603 450 HB3 CYS 60 2HB CYS 60 -4.969 -5.372 -3.348 451 H ALA 61 H ALA 61 -3.074 -7.247 -3.763 452 HA ALA 61 HA ALA 61 -1.827 -7.846 -6.297 453 HB1 ALA 61 1HB ALA 61 -3.326 -9.642 -4.353 454 HB2 ALA 61 2HB ALA 61 -2.261 -10.188 -5.667 455 HB3 ALA 61 3HB ALA 61 -1.586 -9.274 -4.293 456 H THR 62 H THR 62 -2.727 -8.892 -8.106 457 HA THR 62 HA THR 62 -5.636 -8.423 -8.456 458 HB THR 62 HB THR 62 -5.060 -8.290 -10.912 459 HG1 THR 62 1HG THR 62 -2.814 -7.980 -11.368 460 HG21 THR 62 1HG2 THR 62 -3.510 -6.304 -9.192 461 HG22 THR 62 2HG2 THR 62 -5.262 -6.229 -9.500 462 HG23 THR 62 3HG2 THR 62 -4.118 -6.041 -10.844 463 HA PRO 63 HA PRO 63 -5.823 -12.779 -8.931 464 HB2 PRO 63 1HB PRO 63 -8.118 -13.135 -10.348 465 HB3 PRO 63 2HB PRO 63 -8.127 -12.511 -8.670 466 HG2 PRO 63 1HG PRO 63 -8.242 -10.981 -11.264 467 HG3 PRO 63 2HG PRO 63 -9.310 -10.843 -9.827 468 HD2 PRO 63 1HD PRO 63 -7.224 -9.150 -10.241 469 HD3 PRO 63 2HD PRO 63 -7.685 -9.696 -8.590 470 H ALA 64 H ALA 64 -5.663 -14.535 -10.405 471 HA ALA 64 HA ALA 64 -4.750 -13.732 -13.137 472 HB1 ALA 64 1HB ALA 64 -2.943 -14.668 -11.697 473 HB2 ALA 64 2HB ALA 64 -3.925 -16.133 -11.437 474 HB3 ALA 64 3HB ALA 64 -3.318 -15.747 -13.061 475 H LYS 65 H LYS 65 -5.167 -15.373 -14.809 476 HA LYS 65 HA LYS 65 -7.897 -16.463 -14.554 477 HB2 LYS 65 1HB LYS 65 -5.865 -16.580 -16.825 478 HB3 LYS 65 2HB LYS 65 -7.539 -17.140 -16.927 479 HG2 LYS 65 1HG LYS 65 -8.302 -14.805 -16.422 480 HG3 LYS 65 2HG LYS 65 -6.614 -14.272 -16.512 481 HD2 LYS 65 1HD LYS 65 -8.100 -15.659 -18.782 482 HD3 LYS 65 2HD LYS 65 -7.932 -13.901 -18.625 483 HE2 LYS 65 1HE LYS 65 -5.441 -14.169 -18.663 484 HE3 LYS 65 2HE LYS 65 -5.659 -15.907 -18.954 485 HZ1 LYS 65 1HZ LYS 65 -6.822 -15.352 -21.005 486 HZ2 LYS 65 2HZ LYS 65 -5.308 -14.697 -21.014 487 HZ3 LYS 65 3HZ LYS 65 -6.619 -13.736 -20.735 488 H SER 66 H SER 66 -8.360 -18.743 -14.853 489 HA SER 66 HA SER 66 -6.077 -20.603 -14.678 490 HB2 SER 66 1HB SER 66 -7.193 -21.835 -12.833 491 HB3 SER 66 2HB SER 66 -6.732 -20.198 -12.321 492 HG SER 66 HG SER 66 -8.841 -20.596 -11.678 493 H GLU 67 H GLU 67 -6.726 -22.690 -15.356 494 HA GLU 67 HA GLU 67 -7.569 -23.993 -17.035 495 HB2 GLU 67 1HB GLU 67 -10.223 -23.224 -15.708 496 HB3 GLU 67 2HB GLU 67 -10.004 -24.573 -16.825 497 HG2 GLU 67 1HG GLU 67 -8.616 -24.261 -14.108 498 HG3 GLU 67 2HG GLU 67 -9.933 -25.375 -14.476 Start of MODEL 5 1 HA ALA 1 HA ALA 1 8.911 12.111 21.979 2 HB1 ALA 1 1HB ALA 1 10.529 14.630 22.615 3 HB2 ALA 1 2HB ALA 1 9.226 14.522 21.420 4 HB3 ALA 1 3HB ALA 1 8.868 14.300 23.141 5 H TYR 2 H TYR 2 9.627 10.735 20.494 6 HA TYR 2 HA TYR 2 12.273 11.089 19.290 7 HB2 TYR 2 1HB TYR 2 11.164 8.844 19.569 8 HB3 TYR 2 2HB TYR 2 9.997 9.325 18.324 9 HD1 TYR 2 1HD TYR 2 13.730 9.095 18.895 10 HD2 TYR 2 2HD TYR 2 10.501 8.849 16.053 11 HE1 TYR 2 1HE TYR 2 15.343 8.433 17.104 12 HE2 TYR 2 2HE TYR 2 12.120 8.194 14.279 13 HH TYR 2 HH TYR 2 14.299 7.743 13.762 14 H ARG 3 H ARG 3 12.512 11.402 16.939 15 HA ARG 3 HA ARG 3 11.229 13.835 16.147 16 HB2 ARG 3 1HB ARG 3 12.743 11.928 14.343 17 HB3 ARG 3 2HB ARG 3 12.576 13.677 14.162 18 HG2 ARG 3 1HG ARG 3 13.872 13.925 16.333 19 HG3 ARG 3 2HG ARG 3 14.168 12.177 16.278 20 HD2 ARG 3 1HD ARG 3 15.170 12.526 13.978 21 HD3 ARG 3 2HD ARG 3 15.095 14.270 14.288 22 HE ARG 3 HE ARG 3 16.929 12.312 15.464 23 HH11 ARG 3 1HH1 ARG 3 15.585 15.557 15.875 24 HH12 ARG 3 2HH1 ARG 3 16.904 16.068 16.893 25 HH21 ARG 3 1HH2 ARG 3 18.566 13.041 16.768 26 HH22 ARG 3 2HH2 ARG 3 18.555 14.669 17.385 27 HA PRO 4 HA PRO 4 7.695 12.065 14.260 28 HB2 PRO 4 1HB PRO 4 6.850 14.009 12.554 29 HB3 PRO 4 2HB PRO 4 6.820 14.234 14.335 30 HG2 PRO 4 1HG PRO 4 8.894 15.133 12.351 31 HG3 PRO 4 2HG PRO 4 8.057 16.085 13.617 32 HD2 PRO 4 1HD PRO 4 10.527 15.024 14.002 33 HD3 PRO 4 2HD PRO 4 9.334 15.121 15.338 34 H SER 5 H SER 5 6.791 11.243 12.260 35 HA SER 5 HA SER 5 8.649 11.149 9.934 36 HB2 SER 5 1HB SER 5 7.203 8.786 11.202 37 HB3 SER 5 2HB SER 5 8.107 8.744 9.674 38 HG SER 5 HG SER 5 9.284 9.615 12.103 39 H GLU 6 H GLU 6 7.350 12.609 8.859 40 HA GLU 6 HA GLU 6 4.469 12.383 8.856 41 HB2 GLU 6 1HB GLU 6 4.489 14.293 7.467 42 HB3 GLU 6 2HB GLU 6 5.772 14.493 8.659 43 HG2 GLU 6 1HG GLU 6 7.432 13.800 6.934 44 HG3 GLU 6 2HG GLU 6 6.115 13.711 5.752 45 HE2 GLU 6 HE2 GLU 6 5.260 15.412 5.089 46 H THR 7 H THR 7 6.743 10.629 7.150 47 HA THR 7 HA THR 7 4.840 10.149 4.895 48 HB THR 7 HB THR 7 6.781 9.109 3.711 49 HG1 THR 7 1HG THR 7 8.810 9.319 4.563 50 HG21 THR 7 1HG2 THR 7 7.883 11.157 3.076 51 HG22 THR 7 2HG2 THR 7 7.392 11.953 4.587 52 HG23 THR 7 3HG2 THR 7 6.168 11.523 3.364 53 H LEU 8 H LEU 8 4.567 7.921 4.251 54 HA LEU 8 HA LEU 8 4.253 6.312 6.686 55 HB2 LEU 8 1HB LEU 8 2.419 6.736 5.078 56 HB3 LEU 8 2HB LEU 8 3.295 5.837 3.854 57 HG LEU 8 HG LEU 8 3.145 3.838 5.357 58 HD11 LEU 8 1HD1 LEU 8 1.420 3.861 7.142 59 HD12 LEU 8 2HD1 LEU 8 1.226 5.615 6.919 60 HD13 LEU 8 3HD1 LEU 8 2.762 4.955 7.519 61 HD21 LEU 8 1HD2 LEU 8 1.621 4.326 3.453 62 HD22 LEU 8 2HD2 LEU 8 0.509 5.120 4.593 63 HD23 LEU 8 3HD2 LEU 8 0.855 3.386 4.743 64 H CYS 9 H CYS 9 5.946 5.229 7.261 65 HA CYS 9 HA CYS 9 7.231 3.312 5.418 66 HB2 CYS 9 1HB CYS 9 8.240 5.791 5.379 67 HB3 CYS 9 2HB CYS 9 9.061 5.224 6.838 68 H GLY 10 H GLY 10 9.427 2.620 6.919 69 HA2 GLY 10 1HA GLY 10 10.133 1.598 8.855 70 HA3 GLY 10 2HA GLY 10 9.115 2.755 9.718 71 H GLY 11 H GLY 11 7.809 0.366 7.454 72 HA2 GLY 11 1HA GLY 11 6.786 -1.696 7.987 73 HA3 GLY 11 2HA GLY 11 6.952 -1.334 9.710 74 H GLU 12 H GLU 12 5.760 1.444 9.253 75 HA GLU 12 HA GLU 12 3.017 0.763 9.748 76 HB2 GLU 12 1HB GLU 12 4.198 3.391 8.766 77 HB3 GLU 12 2HB GLU 12 2.598 3.181 9.473 78 HG2 GLU 12 1HG GLU 12 5.230 2.687 10.923 79 HG3 GLU 12 2HG GLU 12 4.243 4.146 11.058 80 H LEU 13 H LEU 13 4.858 1.407 6.842 81 HA LEU 13 HA LEU 13 2.698 1.835 5.034 82 HB2 LEU 13 1HB LEU 13 5.067 2.310 4.550 83 HB3 LEU 13 2HB LEU 13 5.440 0.592 4.610 84 HG LEU 13 HG LEU 13 4.177 0.180 2.591 85 HD11 LEU 13 1HD1 LEU 13 3.504 3.139 2.669 86 HD12 LEU 13 2HD1 LEU 13 2.363 1.774 2.788 87 HD13 LEU 13 3HD1 LEU 13 3.228 2.072 1.275 88 HD21 LEU 13 1HD2 LEU 13 6.531 0.926 2.434 89 HD22 LEU 13 2HD2 LEU 13 5.984 2.616 2.302 90 HD23 LEU 13 3HD2 LEU 13 5.583 1.443 1.023 91 H VAL 14 H VAL 14 4.274 -1.108 6.254 92 HA VAL 14 HA VAL 14 2.892 -2.924 4.474 93 HB VAL 14 HB VAL 14 4.319 -3.404 7.143 94 HG11 VAL 14 1HG1 VAL 14 3.485 -5.424 5.037 95 HG12 VAL 14 2HG1 VAL 14 4.407 -5.767 6.515 96 HG13 VAL 14 3HG1 VAL 14 2.724 -5.223 6.630 97 HG21 VAL 14 1HG2 VAL 14 6.182 -4.220 5.744 98 HG22 VAL 14 2HG2 VAL 14 5.261 -3.828 4.276 99 HG23 VAL 14 3HG2 VAL 14 5.809 -2.530 5.362 100 H ASP 15 H ASP 15 2.377 -1.706 7.794 101 HA ASP 15 HA ASP 15 0.126 -3.335 8.444 102 HB2 ASP 15 1HB ASP 15 1.420 -1.915 10.035 103 HB3 ASP 15 2HB ASP 15 0.744 -0.469 9.273 104 H THR 16 H THR 16 0.331 -0.063 6.990 105 HA THR 16 HA THR 16 -2.465 0.275 6.597 106 HB THR 16 HB THR 16 -0.220 1.367 4.841 107 HG1 THR 16 1HG THR 16 -0.005 1.754 7.161 108 HG21 THR 16 1HG2 THR 16 -1.792 3.294 4.595 109 HG22 THR 16 2HG2 THR 16 -3.028 2.358 5.464 110 HG23 THR 16 3HG2 THR 16 -2.425 1.792 3.887 111 H LEU 17 H LEU 17 0.032 -1.253 4.514 112 HA LEU 17 HA LEU 17 -1.691 -1.639 2.263 113 HB2 LEU 17 1HB LEU 17 0.861 -2.859 3.241 114 HB3 LEU 17 2HB LEU 17 -0.013 -3.651 1.939 115 HG LEU 17 HG LEU 17 0.650 -0.716 1.756 116 HD11 LEU 17 1HD1 LEU 17 2.465 -2.988 0.899 117 HD12 LEU 17 2HD1 LEU 17 2.757 -1.874 2.254 118 HD13 LEU 17 3HD1 LEU 17 2.716 -1.254 0.593 119 HD21 LEU 17 1HD2 LEU 17 -0.939 -1.781 0.117 120 HD22 LEU 17 2HD2 LEU 17 0.372 -2.871 -0.384 121 HD23 LEU 17 3HD2 LEU 17 0.522 -1.118 -0.641 122 H GLN 18 H GLN 18 -1.159 -3.615 5.214 123 HA GLN 18 HA GLN 18 -2.741 -5.854 4.300 124 HB2 GLN 18 1HB GLN 18 -2.137 -4.785 7.085 125 HB3 GLN 18 2HB GLN 18 -3.064 -6.256 6.790 126 HG2 GLN 18 1HG GLN 18 -1.172 -7.308 5.733 127 HG3 GLN 18 2HG GLN 18 -0.231 -5.817 5.840 128 HE21 GLN 18 1HE2 GLN 18 1.179 -7.152 8.726 129 HE22 GLN 18 2HE2 GLN 18 1.399 -6.646 7.067 130 H PHE 19 H PHE 19 -3.511 -2.897 6.174 131 HA PHE 19 HA PHE 19 -6.261 -3.508 6.589 132 HB2 PHE 19 1HB PHE 19 -5.042 -1.807 7.853 133 HB3 PHE 19 2HB PHE 19 -4.809 -0.847 6.390 134 HD1 PHE 19 1HD PHE 19 -6.444 0.689 5.634 135 HD2 PHE 19 2HD PHE 19 -7.419 -2.132 8.731 136 HE1 PHE 19 1HE PHE 19 -8.593 1.884 6.031 137 HE2 PHE 19 2HE PHE 19 -9.578 -0.953 9.133 138 HZ PHE 19 HZ PHE 19 -10.169 1.060 7.782 139 H VAL 20 H VAL 20 -4.703 -1.578 3.985 140 HA VAL 20 HA VAL 20 -7.231 -0.844 2.799 141 HB VAL 20 HB VAL 20 -4.371 -0.796 1.699 142 HG11 VAL 20 1HG1 VAL 20 -6.921 0.389 0.515 143 HG12 VAL 20 2HG1 VAL 20 -5.269 0.807 -0.012 144 HG13 VAL 20 3HG1 VAL 20 -5.872 -0.847 -0.216 145 HG21 VAL 20 1HG2 VAL 20 -4.606 1.665 2.091 146 HG22 VAL 20 2HG2 VAL 20 -6.192 1.364 2.838 147 HG23 VAL 20 3HG2 VAL 20 -4.722 0.726 3.589 148 H CYS 21 H CYS 21 -4.885 -3.479 2.113 149 HA CYS 21 HA CYS 21 -6.431 -4.171 -0.274 150 HB2 CYS 21 1HB CYS 21 -4.025 -5.498 0.990 151 HB3 CYS 21 2HB CYS 21 -4.724 -5.898 -0.586 152 H GLY 22 H GLY 22 -6.165 -5.467 3.040 153 HA2 GLY 22 1HA GLY 22 -7.438 -7.111 4.026 154 HA3 GLY 22 2HA GLY 22 -8.642 -6.746 2.791 155 H ASP 23 H ASP 23 -9.391 -8.488 1.919 156 HA ASP 23 HA ASP 23 -8.330 -11.050 2.231 157 HB2 ASP 23 1HB ASP 23 -10.108 -11.802 0.851 158 HB3 ASP 23 2HB ASP 23 -10.719 -10.378 1.709 159 H ARG 24 H ARG 24 -7.786 -8.847 -0.493 160 HA ARG 24 HA ARG 24 -6.848 -11.043 -2.177 161 HB2 ARG 24 1HB ARG 24 -6.258 -9.171 -3.761 162 HB3 ARG 24 2HB ARG 24 -7.958 -9.326 -3.316 163 HG2 ARG 24 1HG ARG 24 -7.801 -7.482 -1.780 164 HG3 ARG 24 2HG ARG 24 -6.053 -7.339 -2.060 165 HD2 ARG 24 1HD ARG 24 -7.241 -5.661 -3.326 166 HD3 ARG 24 2HD ARG 24 -6.510 -6.842 -4.423 167 HE ARG 24 HE ARG 24 -9.339 -7.212 -3.618 168 HH11 ARG 24 1HH1 ARG 24 -7.035 -6.412 -6.174 169 HH12 ARG 24 2HH1 ARG 24 -8.243 -6.515 -7.427 170 HH21 ARG 24 1HH2 ARG 24 -10.815 -7.361 -5.267 171 HH22 ARG 24 2HH2 ARG 24 -10.351 -7.058 -6.920 172 H GLY 25 H GLY 25 -5.259 -9.068 0.181 173 HA2 GLY 25 1HA GLY 25 -3.047 -9.222 0.815 174 HA3 GLY 25 2HA GLY 25 -2.752 -10.350 -0.527 175 H PHE 26 H PHE 26 -0.788 -8.797 -0.368 176 HA PHE 26 HA PHE 26 -1.012 -6.847 -2.562 177 HB2 PHE 26 1HB PHE 26 -0.270 -4.969 -1.252 178 HB3 PHE 26 2HB PHE 26 -1.696 -5.661 -0.457 179 HD1 PHE 26 1HD PHE 26 1.965 -5.180 -0.212 180 HD2 PHE 26 2HD PHE 26 -1.550 -6.774 1.692 181 HE1 PHE 26 1HE PHE 26 3.237 -5.451 1.909 182 HE2 PHE 26 2HE PHE 26 -0.279 -7.046 3.801 183 HZ PHE 26 HZ PHE 26 2.109 -6.383 3.919 184 H TYR 27 H TYR 27 1.220 -5.871 -3.004 185 HA TYR 27 HA TYR 27 3.449 -7.253 -1.703 186 HB2 TYR 27 1HB TYR 27 4.432 -8.141 -3.763 187 HB3 TYR 27 2HB TYR 27 2.878 -8.898 -3.414 188 HD1 TYR 27 1HD TYR 27 0.784 -7.963 -4.706 189 HD2 TYR 27 2HD TYR 27 4.850 -7.218 -5.899 190 HE1 TYR 27 1HE TYR 27 0.007 -7.405 -7.005 191 HE2 TYR 27 2HE TYR 27 4.057 -6.692 -8.210 192 HH TYR 27 HH TYR 27 0.607 -6.731 -9.099 193 H PHE 28 H PHE 28 5.502 -6.300 -2.215 194 HA PHE 28 HA PHE 28 5.255 -3.446 -3.016 195 HB2 PHE 28 1HB PHE 28 7.447 -5.185 -1.814 196 HB3 PHE 28 2HB PHE 28 7.822 -3.614 -2.524 197 HD1 PHE 28 1HD PHE 28 5.144 -4.905 -0.147 198 HD2 PHE 28 2HD PHE 28 8.162 -1.948 -0.978 199 HE1 PHE 28 1HE PHE 28 4.616 -3.763 1.992 200 HE2 PHE 28 2HE PHE 28 7.627 -0.797 1.162 201 HZ PHE 28 HZ PHE 28 5.844 -1.702 2.650 202 H SER 29 H SER 29 5.958 -2.764 -5.036 203 HA SER 29 HA SER 29 7.540 -4.681 -6.667 204 HB2 SER 29 1HB SER 29 5.150 -5.057 -7.169 205 HB3 SER 29 2HB SER 29 4.966 -3.343 -7.581 206 HG SER 29 HG SER 29 5.379 -4.852 -9.370 207 H ARG 30 H ARG 30 9.004 -3.798 -7.959 208 HA ARG 30 HA ARG 30 8.749 -1.175 -9.086 209 HB2 ARG 30 1HB ARG 30 10.057 0.044 -7.789 210 HB3 ARG 30 2HB ARG 30 9.740 -1.115 -6.535 211 HG2 ARG 30 1HG ARG 30 12.222 -1.106 -8.309 212 HG3 ARG 30 2HG ARG 30 12.121 -0.415 -6.693 213 HD2 ARG 30 1HD ARG 30 11.236 -2.920 -6.150 214 HD3 ARG 30 2HD ARG 30 12.277 -3.269 -7.524 215 HE ARG 30 HE ARG 30 14.154 -2.772 -6.290 216 HH11 ARG 30 1HH1 ARG 30 11.327 -1.800 -4.414 217 HH12 ARG 30 2HH1 ARG 30 12.251 -1.613 -2.946 218 HH21 ARG 30 1HH2 ARG 30 15.262 -2.511 -4.385 219 HH22 ARG 30 2HH2 ARG 30 14.437 -1.998 -2.937 220 HA PRO 31 HA PRO 31 11.342 -3.706 -11.613 221 HB2 PRO 31 1HB PRO 31 12.487 -1.970 -13.391 222 HB3 PRO 31 2HB PRO 31 10.750 -2.410 -13.483 223 HG2 PRO 31 1HG PRO 31 12.020 0.016 -12.200 224 HG3 PRO 31 2HG PRO 31 10.656 -0.056 -13.362 225 HD2 PRO 31 1HD PRO 31 10.244 0.143 -10.694 226 HD3 PRO 31 2HD PRO 31 9.161 -0.832 -11.735 227 H ALA 32 H ALA 32 13.434 -4.482 -11.416 228 HA ALA 32 HA ALA 32 15.310 -2.815 -9.863 229 HB1 ALA 32 1HB ALA 32 15.430 -5.767 -10.575 230 HB2 ALA 32 2HB ALA 32 16.547 -4.914 -9.487 231 HB3 ALA 32 3HB ALA 32 14.837 -5.106 -9.030 232 H SER 33 H SER 33 14.661 -3.843 -12.914 233 HA SER 33 HA SER 33 15.553 -3.781 -14.940 234 HB2 SER 33 1HB SER 33 17.496 -1.746 -13.883 235 HB3 SER 33 2HB SER 33 16.742 -1.889 -15.478 236 HG SER 33 HG SER 33 15.856 -0.382 -13.646 237 H ARG 34 H ARG 34 17.451 -4.092 -16.388 238 HA ARG 34 HA ARG 34 18.855 -6.447 -15.515 239 HB2 ARG 34 1HB ARG 34 18.053 -5.716 -17.876 240 HB3 ARG 34 2HB ARG 34 19.554 -4.796 -17.968 241 HG2 ARG 34 1HG ARG 34 19.704 -7.709 -17.225 242 HG3 ARG 34 2HG ARG 34 19.308 -7.292 -18.899 243 HD2 ARG 34 1HD ARG 34 21.379 -5.888 -19.007 244 HD3 ARG 34 2HD ARG 34 21.806 -6.454 -17.383 245 HE ARG 34 HE ARG 34 21.288 -8.667 -19.147 246 HH11 ARG 34 1HH1 ARG 34 23.789 -6.306 -18.350 247 HH12 ARG 34 2HH1 ARG 34 25.072 -7.326 -18.942 248 HH21 ARG 34 1HH2 ARG 34 22.981 -9.916 -19.875 249 HH22 ARG 34 2HH2 ARG 34 24.619 -9.336 -19.783 250 H VAL 35 H VAL 35 19.605 -3.075 -15.559 251 HA VAL 35 HA VAL 35 22.349 -3.630 -14.514 252 HB VAL 35 HB VAL 35 22.940 -1.323 -15.327 253 HG11 VAL 35 1HG1 VAL 35 23.528 -3.329 -16.670 254 HG12 VAL 35 2HG1 VAL 35 21.993 -3.174 -17.558 255 HG13 VAL 35 3HG1 VAL 35 23.232 -1.904 -17.690 256 HG21 VAL 35 1HG2 VAL 35 20.573 -0.446 -15.468 257 HG22 VAL 35 2HG2 VAL 35 21.524 -0.142 -16.933 258 HG23 VAL 35 3HG2 VAL 35 20.324 -1.450 -16.914 259 H SER 36 H SER 36 22.878 -1.857 -12.836 260 HA SER 36 HA SER 36 20.745 -1.868 -10.945 261 HB2 SER 36 1HB SER 36 23.268 -0.199 -10.818 262 HB3 SER 36 2HB SER 36 22.320 -0.859 -9.466 263 HG SER 36 HG SER 36 22.998 -2.911 -10.034 264 H ARG 37 H ARG 37 19.238 -0.670 -12.550 265 HA ARG 37 HA ARG 37 19.191 2.213 -11.700 266 HB2 ARG 37 1HB ARG 37 18.412 1.052 -14.406 267 HB3 ARG 37 2HB ARG 37 18.068 2.705 -13.884 268 HG2 ARG 37 1HG ARG 37 20.863 1.532 -14.201 269 HG3 ARG 37 2HG ARG 37 20.040 2.565 -15.383 270 HD2 ARG 37 1HD ARG 37 19.891 4.366 -13.646 271 HD3 ARG 37 2HD ARG 37 20.833 3.338 -12.546 272 HE ARG 37 HE ARG 37 22.219 3.644 -15.030 273 HH11 ARG 37 1HH1 ARG 37 21.474 5.469 -12.101 274 HH12 ARG 37 2HH1 ARG 37 22.873 6.493 -12.272 275 HH21 ARG 37 1HH2 ARG 37 23.991 4.989 -15.177 276 HH22 ARG 37 2HH2 ARG 37 24.273 6.217 -13.973 277 H ARG 38 H ARG 38 18.109 0.883 -9.961 278 HA ARG 38 HA ARG 38 15.432 -0.120 -10.447 279 HB2 ARG 38 1HB ARG 38 15.234 -0.192 -8.042 280 HB3 ARG 38 2HB ARG 38 16.864 -0.730 -8.472 281 HG2 ARG 38 1HG ARG 38 17.631 1.674 -8.004 282 HG3 ARG 38 2HG ARG 38 16.029 1.942 -7.293 283 HD2 ARG 38 1HD ARG 38 16.459 0.026 -5.750 284 HD3 ARG 38 2HD ARG 38 18.106 -0.083 -6.418 285 HE ARG 38 HE ARG 38 17.471 2.601 -5.533 286 HH11 ARG 38 1HH1 ARG 38 18.561 -0.533 -4.303 287 HH12 ARG 38 2HH1 ARG 38 19.310 0.181 -2.903 288 HH21 ARG 38 1HH2 ARG 38 18.443 3.425 -3.721 289 HH22 ARG 38 2HH2 ARG 38 19.249 2.380 -2.585 290 H SER 39 H SER 39 13.413 0.997 -9.967 291 HA SER 39 HA SER 39 13.565 3.886 -9.344 292 HB2 SER 39 1HB SER 39 12.307 2.890 -11.936 293 HB3 SER 39 2HB SER 39 12.366 4.567 -11.356 294 HG SER 39 HG SER 39 14.837 3.825 -11.329 295 H ARG 40 H ARG 40 11.466 4.833 -8.956 296 HA ARG 40 HA ARG 40 9.456 4.885 -8.015 297 HB2 ARG 40 1HB ARG 40 7.690 4.310 -9.413 298 HB3 ARG 40 2HB ARG 40 9.041 4.749 -10.428 299 HG2 ARG 40 1HG ARG 40 9.442 2.385 -10.993 300 HG3 ARG 40 2HG ARG 40 8.129 1.887 -9.909 301 HD2 ARG 40 1HD ARG 40 6.575 3.334 -11.283 302 HD3 ARG 40 2HD ARG 40 7.908 3.551 -12.437 303 HE ARG 40 HE ARG 40 7.530 0.769 -11.957 304 HH11 ARG 40 1HH1 ARG 40 5.886 3.431 -13.591 305 HH12 ARG 40 2HH1 ARG 40 5.082 2.368 -14.715 306 HH21 ARG 40 1HH2 ARG 40 6.459 -0.528 -13.424 307 HH22 ARG 40 2HH2 ARG 40 5.404 0.171 -14.619 308 H GLY 41 H GLY 41 7.239 3.138 -7.981 309 HA2 GLY 41 1HA GLY 41 6.596 1.063 -6.967 310 HA3 GLY 41 2HA GLY 41 8.137 1.018 -6.101 311 H ILE 42 H ILE 42 5.868 0.579 -4.722 312 HA ILE 42 HA ILE 42 4.478 2.780 -3.702 313 HB ILE 42 HB ILE 42 3.797 0.406 -3.401 314 HG12 ILE 42 1HG1 ILE 42 3.316 0.529 -0.851 315 HG13 ILE 42 2HG1 ILE 42 4.062 2.119 -0.931 316 HG21 ILE 42 1HG2 ILE 42 4.805 -1.064 -1.751 317 HG22 ILE 42 2HG2 ILE 42 6.047 -0.562 -2.912 318 HG23 ILE 42 3HG2 ILE 42 5.986 0.179 -1.294 319 HD11 ILE 42 1HD1 ILE 42 2.379 2.702 -2.736 320 HD12 ILE 42 2HD1 ILE 42 1.581 1.151 -2.364 321 HD13 ILE 42 3HD1 ILE 42 1.710 2.408 -1.119 322 H VAL 43 H VAL 43 7.659 1.519 -2.669 323 HA VAL 43 HA VAL 43 7.736 3.101 -0.289 324 HB VAL 43 HB VAL 43 9.142 1.061 -0.716 325 HG11 VAL 43 1HG1 VAL 43 10.902 2.903 -2.395 326 HG12 VAL 43 2HG1 VAL 43 11.220 1.207 -1.975 327 HG13 VAL 43 3HG1 VAL 43 9.865 1.611 -3.049 328 HG21 VAL 43 1HG2 VAL 43 10.706 3.556 0.061 329 HG22 VAL 43 2HG2 VAL 43 9.642 2.613 1.132 330 HG23 VAL 43 3HG2 VAL 43 11.119 1.876 0.479 331 H GLU 44 H GLU 44 8.717 3.829 -3.668 332 HA GLU 44 HA GLU 44 10.096 6.233 -2.981 333 HB2 GLU 44 1HB GLU 44 9.766 4.753 -5.245 334 HB3 GLU 44 2HB GLU 44 8.669 6.103 -5.573 335 HG2 GLU 44 1HG GLU 44 10.553 7.657 -5.007 336 HG3 GLU 44 2HG GLU 44 11.596 6.220 -4.896 337 H GLU 45 H GLU 45 6.742 5.419 -3.652 338 HA GLU 45 HA GLU 45 5.996 8.236 -3.810 339 HB2 GLU 45 1HB GLU 45 4.356 5.689 -3.902 340 HB3 GLU 45 2HB GLU 45 3.737 7.322 -4.204 341 HG2 GLU 45 1HG GLU 45 5.285 7.572 -6.111 342 HG3 GLU 45 2HG GLU 45 5.924 5.948 -5.820 343 H CYS 46 H CYS 46 5.644 5.621 -1.375 344 HA CYS 46 HA CYS 46 4.048 7.517 0.274 345 HB2 CYS 46 1HB CYS 46 4.543 4.544 0.526 346 HB3 CYS 46 2HB CYS 46 3.618 5.505 1.681 347 H CYS 47 H CYS 47 7.262 6.092 0.265 348 HA CYS 47 HA CYS 47 7.578 6.872 3.136 349 HB2 CYS 47 1HB CYS 47 8.204 4.577 2.609 350 HB3 CYS 47 2HB CYS 47 9.278 5.136 1.328 351 H PHE 48 H PHE 48 9.093 7.295 -0.107 352 HA PHE 48 HA PHE 48 10.918 9.309 1.050 353 HB2 PHE 48 1HB PHE 48 10.570 8.426 -1.829 354 HB3 PHE 48 2HB PHE 48 11.879 9.411 -1.184 355 HD1 PHE 48 1HD PHE 48 12.069 6.737 -2.728 356 HD2 PHE 48 2HD PHE 48 12.128 7.644 1.483 357 HE1 PHE 48 1HE PHE 48 13.331 4.640 -2.295 358 HE2 PHE 48 2HE PHE 48 13.391 5.556 1.918 359 HZ PHE 48 HZ PHE 48 13.989 4.039 0.032 360 H ARG 49 H ARG 49 7.859 9.135 -0.422 361 HA ARG 49 HA ARG 49 7.637 12.112 -0.360 362 HB2 ARG 49 1HB ARG 49 6.537 10.223 -2.485 363 HB3 ARG 49 2HB ARG 49 6.003 11.893 -2.274 364 HG2 ARG 49 1HG ARG 49 8.283 12.673 -2.718 365 HG3 ARG 49 2HG ARG 49 8.783 10.992 -3.022 366 HD2 ARG 49 1HD ARG 49 7.069 10.825 -4.802 367 HD3 ARG 49 2HD ARG 49 6.625 12.522 -4.511 368 HE ARG 49 HE ARG 49 9.435 12.312 -5.023 369 HH11 ARG 49 1HH1 ARG 49 6.346 12.198 -6.723 370 HH12 ARG 49 2HH1 ARG 49 7.052 12.708 -8.235 371 HH21 ARG 49 1HH2 ARG 49 10.266 12.947 -6.985 372 HH22 ARG 49 2HH2 ARG 49 9.233 13.122 -8.378 373 H SER 50 H SER 50 5.089 12.516 -0.408 374 HA SER 50 HA SER 50 3.834 10.594 1.497 375 HB2 SER 50 1HB SER 50 2.081 12.397 1.647 376 HB3 SER 50 2HB SER 50 3.692 12.920 2.180 377 HG SER 50 HG SER 50 2.551 14.383 0.718 378 H CYS 51 H CYS 51 1.676 9.761 0.923 379 HA CYS 51 HA CYS 51 1.063 9.884 -1.985 380 HB2 CYS 51 1HB CYS 51 0.902 7.488 -2.126 381 HB3 CYS 51 2HB CYS 51 2.504 7.920 -1.552 382 H ASP 52 H ASP 52 -1.011 8.825 -2.509 383 HA ASP 52 HA ASP 52 -3.026 9.577 -0.461 384 HB2 ASP 52 1HB ASP 52 -3.235 9.085 -3.454 385 HB3 ASP 52 2HB ASP 52 -4.588 9.542 -2.407 386 H LEU 53 H LEU 53 -4.871 8.237 -0.108 387 HA LEU 53 HA LEU 53 -4.333 5.516 0.355 388 HB2 LEU 53 1HB LEU 53 -6.094 6.932 1.429 389 HB3 LEU 53 2HB LEU 53 -7.010 6.886 -0.075 390 HG LEU 53 HG LEU 53 -7.184 4.380 0.186 391 HD11 LEU 53 1HD1 LEU 53 -5.319 3.962 1.687 392 HD12 LEU 53 2HD1 LEU 53 -6.827 3.504 2.496 393 HD13 LEU 53 3HD1 LEU 53 -6.025 5.030 2.926 394 HD21 LEU 53 1HD2 LEU 53 -8.320 6.116 2.414 395 HD22 LEU 53 2HD2 LEU 53 -8.946 4.534 1.899 396 HD23 LEU 53 3HD2 LEU 53 -9.007 5.911 0.782 397 H ALA 54 H ALA 54 -6.139 6.986 -2.380 398 HA ALA 54 HA ALA 54 -6.964 4.537 -3.552 399 HB1 ALA 54 1HB ALA 54 -6.361 7.216 -4.896 400 HB2 ALA 54 2HB ALA 54 -7.306 5.881 -5.599 401 HB3 ALA 54 3HB ALA 54 -7.916 6.738 -4.166 402 H LEU 55 H LEU 55 -3.963 6.409 -3.934 403 HA LEU 55 HA LEU 55 -2.884 4.800 -6.066 404 HB2 LEU 55 1HB LEU 55 -1.853 6.865 -5.808 405 HB3 LEU 55 2HB LEU 55 -1.857 6.768 -4.060 406 HG LEU 55 HG LEU 55 0.039 5.235 -4.074 407 HD11 LEU 55 1HD1 LEU 55 -0.193 4.033 -6.141 408 HD12 LEU 55 2HD1 LEU 55 1.331 4.916 -6.185 409 HD13 LEU 55 3HD1 LEU 55 -0.073 5.528 -7.095 410 HD21 LEU 55 1HD2 LEU 55 0.522 7.662 -5.824 411 HD22 LEU 55 2HD2 LEU 55 1.667 6.865 -4.721 412 HD23 LEU 55 3HD2 LEU 55 0.260 7.713 -4.070 413 H LEU 56 H LEU 56 -2.634 4.703 -2.487 414 HA LEU 56 HA LEU 56 -0.751 2.612 -2.364 415 HB2 LEU 56 1HB LEU 56 -1.680 4.172 -0.552 416 HB3 LEU 56 2HB LEU 56 -2.987 3.001 -0.368 417 HG LEU 56 HG LEU 56 -0.185 1.969 -0.296 418 HD11 LEU 56 1HD1 LEU 56 -1.432 3.571 1.966 419 HD12 LEU 56 2HD1 LEU 56 0.004 4.015 1.016 420 HD13 LEU 56 3HD1 LEU 56 0.054 2.600 2.082 421 HD21 LEU 56 1HD2 LEU 56 -1.122 0.574 1.516 422 HD22 LEU 56 2HD2 LEU 56 -2.046 0.425 0.014 423 HD23 LEU 56 3HD2 LEU 56 -2.667 1.414 1.350 424 H GLU 57 H GLU 57 -4.265 2.528 -2.706 425 HA GLU 57 HA GLU 57 -4.665 -0.259 -2.360 426 HB2 GLU 57 1HB GLU 57 -6.315 1.679 -2.428 427 HB3 GLU 57 2HB GLU 57 -6.231 1.591 -4.185 428 HG2 GLU 57 1HG GLU 57 -7.206 -0.582 -4.209 429 HG3 GLU 57 2HG GLU 57 -6.982 -0.769 -2.467 430 HE2 GLU 57 HE2 GLU 57 -10.111 0.256 -1.986 431 H THR 58 H THR 58 -3.219 1.409 -5.075 432 HA THR 58 HA THR 58 -4.013 -0.584 -7.026 433 HB THR 58 HB THR 58 -2.518 0.523 -8.575 434 HG1 THR 58 1HG THR 58 -1.614 2.021 -6.309 435 HG21 THR 58 1HG2 THR 58 -4.700 1.624 -7.974 436 HG22 THR 58 2HG2 THR 58 -3.449 2.775 -8.500 437 HG23 THR 58 3HG2 THR 58 -3.835 2.605 -6.775 438 H TYR 59 H TYR 59 -1.666 -0.611 -4.548 439 HA TYR 59 HA TYR 59 0.069 -2.538 -6.001 440 HB2 TYR 59 1HB TYR 59 0.290 -1.125 -3.331 441 HB3 TYR 59 2HB TYR 59 1.373 -2.439 -3.810 442 HD1 TYR 59 1HD TYR 59 3.064 -2.156 -5.532 443 HD2 TYR 59 2HD TYR 59 0.366 1.066 -4.588 444 HE1 TYR 59 1HE TYR 59 4.499 -0.564 -6.827 445 HE2 TYR 59 2HE TYR 59 1.814 2.642 -5.867 446 HH TYR 59 HH TYR 59 3.740 2.924 -7.072 447 H CYS 60 H CYS 60 -2.838 -2.824 -4.634 448 HA CYS 60 HA CYS 60 -2.411 -5.150 -2.935 449 HB2 CYS 60 1HB CYS 60 -4.896 -4.237 -4.420 450 HB3 CYS 60 2HB CYS 60 -4.827 -5.447 -3.132 451 H ALA 61 H ALA 61 -3.031 -7.347 -3.547 452 HA ALA 61 HA ALA 61 -2.095 -7.912 -6.297 453 HB1 ALA 61 1HB ALA 61 -1.125 -9.024 -4.212 454 HB2 ALA 61 2HB ALA 61 -2.664 -9.893 -4.059 455 HB3 ALA 61 3HB ALA 61 -1.646 -10.133 -5.495 456 H THR 62 H THR 62 -3.185 -10.343 -6.835 457 HA THR 62 HA THR 62 -5.986 -9.688 -7.467 458 HB THR 62 HB THR 62 -5.795 -11.842 -8.818 459 HG1 THR 62 1HG THR 62 -4.008 -12.643 -7.512 460 HG21 THR 62 1HG2 THR 62 -3.662 -9.744 -9.407 461 HG22 THR 62 2HG2 THR 62 -5.382 -9.609 -9.852 462 HG23 THR 62 3HG2 THR 62 -4.372 -10.885 -10.566 463 HA PRO 63 HA PRO 63 -7.133 -12.110 -3.961 464 HB2 PRO 63 1HB PRO 63 -9.755 -12.677 -4.550 465 HB3 PRO 63 2HB PRO 63 -9.182 -11.078 -3.999 466 HG2 PRO 63 1HG PRO 63 -9.695 -12.060 -6.792 467 HG3 PRO 63 2HG PRO 63 -10.249 -10.545 -6.013 468 HD2 PRO 63 1HD PRO 63 -8.091 -10.584 -7.629 469 HD3 PRO 63 2HD PRO 63 -8.113 -9.567 -6.147 470 H ALA 64 H ALA 64 -7.346 -14.126 -3.224 471 HA ALA 64 HA ALA 64 -6.963 -16.272 -5.224 472 HB1 ALA 64 1HB ALA 64 -6.657 -16.258 -2.188 473 HB2 ALA 64 2HB ALA 64 -6.251 -17.615 -3.266 474 HB3 ALA 64 3HB ALA 64 -5.343 -16.088 -3.377 475 H LYS 65 H LYS 65 -9.208 -16.172 -5.925 476 HA LYS 65 HA LYS 65 -11.369 -16.976 -5.996 477 HB2 LYS 65 1HB LYS 65 -9.988 -19.106 -5.511 478 HB3 LYS 65 2HB LYS 65 -10.574 -18.959 -3.858 479 HG2 LYS 65 1HG LYS 65 -12.963 -18.901 -5.003 480 HG3 LYS 65 2HG LYS 65 -12.105 -19.595 -6.387 481 HD2 LYS 65 1HD LYS 65 -12.931 -21.451 -5.162 482 HD3 LYS 65 2HD LYS 65 -11.206 -21.360 -4.747 483 HE2 LYS 65 1HE LYS 65 -11.804 -20.130 -2.650 484 HE3 LYS 65 2HE LYS 65 -13.518 -20.264 -3.075 485 HZ1 LYS 65 1HZ LYS 65 -12.848 -21.980 -1.521 486 HZ2 LYS 65 2HZ LYS 65 -11.693 -22.541 -2.557 487 HZ3 LYS 65 3HZ LYS 65 -13.292 -22.672 -2.950 488 H SER 66 H SER 66 -11.075 -14.733 -4.464 489 HA SER 66 HA SER 66 -13.214 -15.086 -2.455 490 HB2 SER 66 1HB SER 66 -12.054 -13.406 -1.022 491 HB3 SER 66 2HB SER 66 -11.113 -14.905 -1.176 492 HG SER 66 HG SER 66 -10.462 -12.372 -1.897 493 H GLU 67 H GLU 67 -14.283 -12.976 -2.187 494 HA GLU 67 HA GLU 67 -14.343 -11.508 -4.789 495 HB2 GLU 67 1HB GLU 67 -16.613 -12.015 -2.792 496 HB3 GLU 67 2HB GLU 67 -16.755 -11.036 -4.253 497 HG2 GLU 67 1HG GLU 67 -16.203 -13.046 -5.654 498 HG3 GLU 67 2HG GLU 67 -16.031 -14.024 -4.193 Start of MODEL 6 1 HA ALA 1 HA ALA 1 -6.137 13.626 17.423 2 HB1 ALA 1 1HB ALA 1 -7.337 12.156 19.037 3 HB2 ALA 1 2HB ALA 1 -7.588 10.946 17.760 4 HB3 ALA 1 3HB ALA 1 -5.952 11.309 18.328 5 H TYR 2 H TYR 2 -4.977 13.955 15.692 6 HA TYR 2 HA TYR 2 -5.032 11.950 13.498 7 HB2 TYR 2 1HB TYR 2 -5.048 14.611 13.320 8 HB3 TYR 2 2HB TYR 2 -3.298 14.384 13.390 9 HD1 TYR 2 1HD TYR 2 -2.109 13.626 11.428 10 HD2 TYR 2 2HD TYR 2 -6.406 13.398 11.536 11 HE1 TYR 2 1HE TYR 2 -2.143 13.016 9.012 12 HE2 TYR 2 2HE TYR 2 -6.430 12.795 9.112 13 HH TYR 2 HH TYR 2 -3.445 12.556 7.179 14 H ARG 3 H ARG 3 -2.881 11.310 12.600 15 HA ARG 3 HA ARG 3 -1.028 10.752 14.869 16 HB2 ARG 3 1HB ARG 3 -0.353 8.756 13.573 17 HB3 ARG 3 2HB ARG 3 -2.054 8.745 14.028 18 HG2 ARG 3 1HG ARG 3 -2.699 9.394 11.749 19 HG3 ARG 3 2HG ARG 3 -0.985 9.442 11.266 20 HD2 ARG 3 1HD ARG 3 -0.732 7.080 11.708 21 HD3 ARG 3 2HD ARG 3 -2.344 6.990 12.443 22 HE ARG 3 HE ARG 3 -2.647 7.938 9.793 23 HH11 ARG 3 1HH1 ARG 3 -1.679 4.949 11.414 24 HH12 ARG 3 2HH1 ARG 3 -2.228 3.949 10.098 25 HH21 ARG 3 1HH2 ARG 3 -3.344 6.587 8.165 26 HH22 ARG 3 2HH2 ARG 3 -3.147 4.859 8.295 27 HA PRO 4 HA PRO 4 1.981 13.085 12.744 28 HB2 PRO 4 1HB PRO 4 4.324 12.136 13.732 29 HB3 PRO 4 2HB PRO 4 3.125 12.952 14.791 30 HG2 PRO 4 1HG PRO 4 3.531 10.010 14.318 31 HG3 PRO 4 2HG PRO 4 3.479 10.903 15.871 32 HD2 PRO 4 1HD PRO 4 1.298 9.644 14.881 33 HD3 PRO 4 2HD PRO 4 1.163 11.210 15.755 34 H SER 5 H SER 5 4.057 12.923 11.503 35 HA SER 5 HA SER 5 5.369 12.218 9.816 36 HB2 SER 5 1HB SER 5 5.504 10.024 11.084 37 HB3 SER 5 2HB SER 5 4.250 9.415 9.980 38 HG SER 5 HG SER 5 5.685 9.283 8.439 39 H GLU 6 H GLU 6 4.960 13.070 7.964 40 HA GLU 6 HA GLU 6 2.386 12.664 6.622 41 HB2 GLU 6 1HB GLU 6 3.136 14.349 5.105 42 HB3 GLU 6 2HB GLU 6 3.573 14.856 6.739 43 HG2 GLU 6 1HG GLU 6 5.910 14.004 6.286 44 HG3 GLU 6 2HG GLU 6 5.415 13.752 4.603 45 HE2 GLU 6 HE2 GLU 6 6.062 16.914 3.818 46 H THR 7 H THR 7 5.262 11.003 6.782 47 HA THR 7 HA THR 7 4.833 9.761 4.096 48 HB THR 7 HB THR 7 7.249 9.041 4.272 49 HG1 THR 7 1HG THR 7 8.520 10.183 5.789 50 HG21 THR 7 1HG2 THR 7 6.514 11.071 2.962 51 HG22 THR 7 2HG2 THR 7 8.191 11.131 3.544 52 HG23 THR 7 3HG2 THR 7 6.930 12.058 4.382 53 H LEU 8 H LEU 8 4.958 7.536 4.002 54 HA LEU 8 HA LEU 8 4.434 6.161 6.609 55 HB2 LEU 8 1HB LEU 8 2.588 6.463 4.874 56 HB3 LEU 8 2HB LEU 8 3.497 5.402 3.837 57 HG LEU 8 HG LEU 8 3.268 3.627 5.594 58 HD11 LEU 8 1HD1 LEU 8 2.782 5.021 7.557 59 HD12 LEU 8 2HD1 LEU 8 1.423 3.920 7.242 60 HD13 LEU 8 3HD1 LEU 8 1.304 5.636 6.780 61 HD21 LEU 8 1HD2 LEU 8 0.691 4.813 4.495 62 HD22 LEU 8 2HD2 LEU 8 1.004 3.114 4.904 63 HD23 LEU 8 3HD2 LEU 8 1.856 3.859 3.547 64 H CYS 9 H CYS 9 5.971 4.759 7.149 65 HA CYS 9 HA CYS 9 7.459 3.311 5.038 66 HB2 CYS 9 1HB CYS 9 8.422 5.700 5.944 67 HB3 CYS 9 2HB CYS 9 9.157 4.598 7.113 68 H GLY 10 H GLY 10 9.033 1.724 6.015 69 HA2 GLY 10 1HA GLY 10 9.516 0.032 7.512 70 HA3 GLY 10 2HA GLY 10 8.860 1.069 8.792 71 H GLY 11 H GLY 11 7.784 -0.576 9.878 72 HA2 GLY 11 1HA GLY 11 6.067 -2.458 8.605 73 HA3 GLY 11 2HA GLY 11 6.037 -2.009 10.320 74 H GLU 12 H GLU 12 5.544 0.901 9.550 75 HA GLU 12 HA GLU 12 2.712 0.814 9.761 76 HB2 GLU 12 1HB GLU 12 4.416 3.084 8.680 77 HB3 GLU 12 2HB GLU 12 2.776 3.215 9.319 78 HG2 GLU 12 1HG GLU 12 3.637 2.462 11.546 79 HG3 GLU 12 2HG GLU 12 5.278 2.507 10.879 80 H LEU 13 H LEU 13 4.854 0.887 6.941 81 HA LEU 13 HA LEU 13 2.772 1.580 5.058 82 HB2 LEU 13 1HB LEU 13 5.547 1.206 4.960 83 HB3 LEU 13 2HB LEU 13 4.907 -0.130 4.005 84 HG LEU 13 HG LEU 13 4.448 2.810 3.530 85 HD11 LEU 13 1HD1 LEU 13 6.665 2.028 2.932 86 HD12 LEU 13 2HD1 LEU 13 5.726 2.416 1.480 87 HD13 LEU 13 3HD1 LEU 13 5.951 0.714 1.964 88 HD21 LEU 13 1HD2 LEU 13 2.422 1.597 2.904 89 HD22 LEU 13 2HD2 LEU 13 3.404 0.522 1.885 90 HD23 LEU 13 3HD2 LEU 13 3.275 2.256 1.505 91 H VAL 14 H VAL 14 4.235 -1.427 6.221 92 HA VAL 14 HA VAL 14 2.754 -3.207 4.549 93 HB VAL 14 HB VAL 14 4.018 -3.664 7.303 94 HG11 VAL 14 1HG1 VAL 14 4.049 -6.053 6.692 95 HG12 VAL 14 2HG1 VAL 14 2.396 -5.425 6.797 96 HG13 VAL 14 3HG1 VAL 14 3.147 -5.680 5.204 97 HG21 VAL 14 1HG2 VAL 14 5.911 -4.619 6.013 98 HG22 VAL 14 2HG2 VAL 14 5.101 -4.164 4.498 99 HG23 VAL 14 3HG2 VAL 14 5.660 -2.908 5.630 100 H ASP 15 H ASP 15 2.182 -1.952 7.861 101 HA ASP 15 HA ASP 15 -0.160 -3.464 8.399 102 HB2 ASP 15 1HB ASP 15 0.594 -0.659 9.318 103 HB3 ASP 15 2HB ASP 15 -0.651 -1.677 10.057 104 H THR 16 H THR 16 0.287 -0.276 6.839 105 HA THR 16 HA THR 16 -2.535 0.225 6.527 106 HB THR 16 HB THR 16 -0.224 1.311 4.862 107 HG1 THR 16 1HG THR 16 0.127 1.798 7.017 108 HG21 THR 16 1HG2 THR 16 -2.372 1.804 3.821 109 HG22 THR 16 2HG2 THR 16 -1.761 3.276 4.606 110 HG23 THR 16 3HG2 THR 16 -3.049 2.327 5.382 111 H LEU 17 H LEU 17 -0.051 -1.342 4.465 112 HA LEU 17 HA LEU 17 -1.753 -1.646 2.175 113 HB2 LEU 17 1HB LEU 17 0.722 -3.021 3.191 114 HB3 LEU 17 2HB LEU 17 -0.135 -3.665 1.800 115 HG LEU 17 HG LEU 17 0.637 -0.763 1.815 116 HD11 LEU 17 1HD1 LEU 17 2.699 -1.884 2.426 117 HD12 LEU 17 2HD1 LEU 17 2.781 -1.345 0.742 118 HD13 LEU 17 3HD1 LEU 17 2.484 -3.060 1.105 119 HD21 LEU 17 1HD2 LEU 17 -0.830 -1.739 0.015 120 HD22 LEU 17 2HD2 LEU 17 0.503 -2.826 -0.425 121 HD23 LEU 17 3HD2 LEU 17 0.693 -1.066 -0.597 122 H GLN 18 H GLN 18 -1.269 -3.644 5.112 123 HA GLN 18 HA GLN 18 -2.983 -5.802 4.240 124 HB2 GLN 18 1HB GLN 18 -2.245 -4.761 6.998 125 HB3 GLN 18 2HB GLN 18 -3.276 -6.169 6.741 126 HG2 GLN 18 1HG GLN 18 -1.477 -7.332 5.595 127 HG3 GLN 18 2HG GLN 18 -0.429 -5.917 5.751 128 HE21 GLN 18 1HE2 GLN 18 0.851 -7.541 8.576 129 HE22 GLN 18 2HE2 GLN 18 1.112 -7.079 6.907 130 H PHE 19 H PHE 19 -3.600 -2.748 6.029 131 HA PHE 19 HA PHE 19 -6.363 -3.296 6.523 132 HB2 PHE 19 1HB PHE 19 -5.106 -1.570 7.712 133 HB3 PHE 19 2HB PHE 19 -4.871 -0.668 6.213 134 HD1 PHE 19 1HD PHE 19 -6.505 0.837 5.380 135 HD2 PHE 19 2HD PHE 19 -7.473 -1.807 8.634 136 HE1 PHE 19 1HE PHE 19 -8.629 2.081 5.745 137 HE2 PHE 19 2HE PHE 19 -9.604 -0.567 9.010 138 HZ PHE 19 HZ PHE 19 -10.186 1.383 7.564 139 H VAL 20 H VAL 20 -4.775 -1.523 3.826 140 HA VAL 20 HA VAL 20 -7.312 -0.782 2.650 141 HB VAL 20 HB VAL 20 -4.471 -0.765 1.516 142 HG11 VAL 20 1HG1 VAL 20 -7.032 0.460 0.400 143 HG12 VAL 20 2HG1 VAL 20 -5.389 0.842 -0.175 144 HG13 VAL 20 3HG1 VAL 20 -6.032 -0.800 -0.358 145 HG21 VAL 20 1HG2 VAL 20 -4.693 1.715 1.914 146 HG22 VAL 20 2HG2 VAL 20 -6.239 1.404 2.737 147 HG23 VAL 20 3HG2 VAL 20 -4.731 0.763 3.405 148 H CYS 21 H CYS 21 -4.925 -3.389 1.925 149 HA CYS 21 HA CYS 21 -6.592 -4.207 -0.349 150 HB2 CYS 21 1HB CYS 21 -4.075 -5.427 0.806 151 HB3 CYS 21 2HB CYS 21 -4.850 -5.884 -0.718 152 H GLY 22 H GLY 22 -6.074 -5.278 2.995 153 HA2 GLY 22 1HA GLY 22 -7.273 -6.830 4.189 154 HA3 GLY 22 2HA GLY 22 -8.441 -6.887 2.859 155 H ASP 23 H ASP 23 -8.780 -9.004 2.737 156 HA ASP 23 HA ASP 23 -6.784 -11.048 2.934 157 HB2 ASP 23 1HB ASP 23 -8.587 -12.518 2.216 158 HB3 ASP 23 2HB ASP 23 -9.205 -11.356 3.399 159 H ARG 24 H ARG 24 -7.727 -8.993 0.323 160 HA ARG 24 HA ARG 24 -7.180 -10.770 -1.861 161 HB2 ARG 24 1HB ARG 24 -7.050 -7.744 -1.685 162 HB3 ARG 24 2HB ARG 24 -7.006 -8.665 -3.191 163 HG2 ARG 24 1HG ARG 24 -9.246 -9.490 -2.857 164 HG3 ARG 24 2HG ARG 24 -9.314 -8.842 -1.210 165 HD2 ARG 24 1HD ARG 24 -9.002 -7.115 -3.682 166 HD3 ARG 24 2HD ARG 24 -10.558 -7.484 -2.905 167 HE ARG 24 HE ARG 24 -8.777 -6.517 -0.914 168 HH11 ARG 24 1HH1 ARG 24 -10.491 -5.248 -3.733 169 HH12 ARG 24 2HH1 ARG 24 -10.570 -3.637 -3.067 170 HH21 ARG 24 1HH2 ARG 24 -8.919 -4.454 -0.142 171 HH22 ARG 24 2HH2 ARG 24 -9.690 -3.197 -1.065 172 H GLY 25 H GLY 25 -5.043 -9.030 0.289 173 HA2 GLY 25 1HA GLY 25 -2.760 -9.380 0.473 174 HA3 GLY 25 2HA GLY 25 -2.781 -10.311 -1.033 175 H PHE 26 H PHE 26 -0.693 -8.744 -0.757 176 HA PHE 26 HA PHE 26 -1.035 -6.669 -2.800 177 HB2 PHE 26 1HB PHE 26 -0.196 -4.854 -1.401 178 HB3 PHE 26 2HB PHE 26 -1.677 -5.517 -0.695 179 HD1 PHE 26 1HD PHE 26 2.010 -5.295 -0.312 180 HD2 PHE 26 2HD PHE 26 -1.686 -6.635 1.443 181 HE1 PHE 26 1HE PHE 26 3.178 -5.696 1.849 182 HE2 PHE 26 2HE PHE 26 -0.518 -7.037 3.597 183 HZ PHE 26 HZ PHE 26 1.915 -6.561 3.806 184 H TYR 27 H TYR 27 1.195 -5.632 -3.217 185 HA TYR 27 HA TYR 27 3.428 -7.290 -2.194 186 HB2 TYR 27 1HB TYR 27 4.272 -7.280 -4.702 187 HB3 TYR 27 2HB TYR 27 3.234 -8.562 -4.079 188 HD1 TYR 27 1HD TYR 27 1.660 -9.301 -5.593 189 HD2 TYR 27 2HD TYR 27 2.603 -5.102 -5.523 190 HE1 TYR 27 1HE TYR 27 -0.031 -8.882 -7.372 191 HE2 TYR 27 2HE TYR 27 0.880 -4.693 -7.282 192 HH TYR 27 HH TYR 27 -0.924 -5.638 -8.434 193 H PHE 28 H PHE 28 5.515 -6.452 -2.605 194 HA PHE 28 HA PHE 28 5.558 -3.477 -2.891 195 HB2 PHE 28 1HB PHE 28 7.397 -5.539 -1.647 196 HB3 PHE 28 2HB PHE 28 8.061 -4.004 -2.216 197 HD1 PHE 28 1HD PHE 28 8.338 -2.350 -0.634 198 HD2 PHE 28 2HD PHE 28 5.076 -5.112 -0.147 199 HE1 PHE 28 1HE PHE 28 7.736 -1.253 1.521 200 HE2 PHE 28 2HE PHE 28 4.474 -4.017 2.006 201 HZ PHE 28 HZ PHE 28 5.796 -2.079 2.836 202 H SER 29 H SER 29 6.583 -2.606 -4.676 203 HA SER 29 HA SER 29 7.013 -4.403 -6.895 204 HB2 SER 29 1HB SER 29 6.017 -2.068 -7.004 205 HB3 SER 29 2HB SER 29 7.671 -1.452 -6.836 206 HG SER 29 HG SER 29 6.601 -3.093 -8.888 207 H ARG 30 H ARG 30 8.707 -5.714 -6.122 208 HA ARG 30 HA ARG 30 11.349 -4.575 -5.851 209 HB2 ARG 30 1HB ARG 30 10.066 -6.890 -4.997 210 HB3 ARG 30 2HB ARG 30 11.321 -7.451 -6.105 211 HG2 ARG 30 1HG ARG 30 11.805 -5.634 -3.720 212 HG3 ARG 30 2HG ARG 30 12.021 -7.394 -3.727 213 HD2 ARG 30 1HD ARG 30 13.670 -7.115 -5.616 214 HD3 ARG 30 2HD ARG 30 13.557 -5.360 -5.380 215 HE ARG 30 HE ARG 30 14.163 -6.664 -2.897 216 HH11 ARG 30 1HH1 ARG 30 15.702 -5.734 -5.934 217 HH12 ARG 30 2HH1 ARG 30 17.291 -5.682 -5.222 218 HH21 ARG 30 1HH2 ARG 30 16.223 -6.569 -2.052 219 HH22 ARG 30 2HH2 ARG 30 17.574 -6.131 -3.058 220 HA PRO 31 HA PRO 31 12.454 -6.931 -9.800 221 HB2 PRO 31 1HB PRO 31 10.548 -7.816 -11.512 222 HB3 PRO 31 2HB PRO 31 10.875 -8.666 -9.973 223 HG2 PRO 31 1HG PRO 31 8.760 -6.623 -10.588 224 HG3 PRO 31 2HG PRO 31 8.573 -8.252 -9.862 225 HD2 PRO 31 1HD PRO 31 8.766 -5.973 -8.350 226 HD3 PRO 31 2HD PRO 31 9.419 -7.538 -7.783 227 H ALA 32 H ALA 32 12.026 -6.702 -12.390 228 HA ALA 32 HA ALA 32 11.976 -5.409 -14.228 229 HB1 ALA 32 1HB ALA 32 10.438 -3.541 -14.483 230 HB2 ALA 32 2HB ALA 32 9.639 -4.843 -13.580 231 HB3 ALA 32 3HB ALA 32 10.237 -3.413 -12.714 232 H SER 33 H SER 33 11.709 -2.288 -13.302 233 HA SER 33 HA SER 33 14.155 -1.616 -14.456 234 HB2 SER 33 1HB SER 33 12.661 0.055 -12.413 235 HB3 SER 33 2HB SER 33 13.770 0.646 -13.667 236 HG SER 33 HG SER 33 12.291 -0.218 -15.225 237 H ARG 34 H ARG 34 16.174 -1.567 -13.887 238 HA ARG 34 HA ARG 34 17.099 -2.479 -11.332 239 HB2 ARG 34 1HB ARG 34 18.500 -1.062 -13.630 240 HB3 ARG 34 2HB ARG 34 19.348 -1.731 -12.237 241 HG2 ARG 34 1HG ARG 34 17.578 -3.538 -13.891 242 HG3 ARG 34 2HG ARG 34 19.186 -3.081 -14.477 243 HD2 ARG 34 1HD ARG 34 20.138 -3.865 -12.277 244 HD3 ARG 34 2HD ARG 34 18.534 -4.519 -11.879 245 HE ARG 34 HE ARG 34 19.186 -5.535 -14.406 246 HH11 ARG 34 1HH1 ARG 34 20.593 -5.781 -11.174 247 HH12 ARG 34 2HH1 ARG 34 21.291 -7.344 -11.501 248 HH21 ARG 34 1HH2 ARG 34 20.110 -7.532 -14.742 249 HH22 ARG 34 2HH2 ARG 34 21.019 -8.313 -13.482 250 H VAL 35 H VAL 35 16.341 0.724 -12.513 251 HA VAL 35 HA VAL 35 17.730 1.871 -10.142 252 HB VAL 35 HB VAL 35 17.994 3.970 -11.452 253 HG11 VAL 35 1HG1 VAL 35 19.833 3.194 -12.851 254 HG12 VAL 35 2HG1 VAL 35 19.796 2.246 -11.348 255 HG13 VAL 35 3HG1 VAL 35 19.176 1.543 -12.863 256 HG21 VAL 35 1HG2 VAL 35 17.007 2.326 -13.838 257 HG22 VAL 35 2HG2 VAL 35 16.130 3.678 -13.086 258 HG23 VAL 35 3HG2 VAL 35 17.675 3.969 -13.906 259 H SER 36 H SER 36 16.767 3.292 -8.859 260 HA SER 36 HA SER 36 13.841 3.440 -9.019 261 HB2 SER 36 1HB SER 36 15.763 4.562 -6.948 262 HB3 SER 36 2HB SER 36 14.018 4.286 -6.752 263 HG SER 36 HG SER 36 14.492 2.023 -7.144 264 H ARG 37 H ARG 37 15.306 4.982 -11.051 265 HA ARG 37 HA ARG 37 15.196 7.791 -10.223 266 HB2 ARG 37 1HB ARG 37 15.601 6.385 -12.877 267 HB3 ARG 37 2HB ARG 37 15.317 8.125 -12.791 268 HG2 ARG 37 1HG ARG 37 17.267 8.240 -11.147 269 HG3 ARG 37 2HG ARG 37 17.665 6.588 -11.670 270 HD2 ARG 37 1HD ARG 37 17.848 7.348 -13.998 271 HD3 ARG 37 2HD ARG 37 17.312 8.973 -13.530 272 HE ARG 37 HE ARG 37 19.648 8.238 -12.036 273 HH11 ARG 37 1HH1 ARG 37 18.704 9.339 -15.261 274 HH12 ARG 37 2HH1 ARG 37 20.260 10.062 -15.566 275 HH21 ARG 37 1HH2 ARG 37 21.609 9.186 -12.512 276 HH22 ARG 37 2HH2 ARG 37 21.861 9.984 -14.037 277 H ARG 38 H ARG 38 12.819 5.532 -10.952 278 HA ARG 38 HA ARG 38 10.860 7.732 -11.396 279 HB2 ARG 38 1HB ARG 38 10.903 5.053 -12.855 280 HB3 ARG 38 2HB ARG 38 9.557 6.202 -12.889 281 HG2 ARG 38 1HG ARG 38 11.035 7.903 -13.932 282 HG3 ARG 38 2HG ARG 38 12.371 6.735 -13.930 283 HD2 ARG 38 1HD ARG 38 11.031 5.226 -15.380 284 HD3 ARG 38 2HD ARG 38 9.741 6.446 -15.424 285 HE ARG 38 HE ARG 38 12.148 7.702 -16.216 286 HH11 ARG 38 1HH1 ARG 38 9.948 5.247 -17.495 287 HH12 ARG 38 2HH1 ARG 38 10.371 5.603 -19.149 288 HH21 ARG 38 1HH2 ARG 38 12.628 8.094 -18.354 289 HH22 ARG 38 2HH2 ARG 38 11.859 7.181 -19.621 290 H SER 39 H SER 39 9.037 7.483 -10.148 291 HA SER 39 HA SER 39 9.414 5.866 -7.828 292 HB2 SER 39 1HB SER 39 7.010 7.473 -8.602 293 HB3 SER 39 2HB SER 39 7.565 7.057 -6.968 294 HG SER 39 HG SER 39 9.538 8.256 -7.539 295 H ARG 40 H ARG 40 9.152 3.945 -9.569 296 HA ARG 40 HA ARG 40 6.497 2.855 -9.892 297 HB2 ARG 40 1HB ARG 40 8.549 2.120 -11.166 298 HB3 ARG 40 2HB ARG 40 9.153 1.370 -9.683 299 HG2 ARG 40 1HG ARG 40 7.050 -0.052 -9.658 300 HG3 ARG 40 2HG ARG 40 6.680 0.579 -11.268 301 HD2 ARG 40 1HD ARG 40 9.229 -0.911 -10.492 302 HD3 ARG 40 2HD ARG 40 7.829 -1.653 -11.277 303 HE ARG 40 HE ARG 40 9.873 0.038 -12.508 304 HH11 ARG 40 1HH1 ARG 40 6.613 -1.283 -12.916 305 HH12 ARG 40 2HH1 ARG 40 6.667 -1.122 -14.649 306 HH21 ARG 40 1HH2 ARG 40 9.864 0.212 -14.715 307 HH22 ARG 40 2HH2 ARG 40 8.467 -0.272 -15.644 308 H GLY 41 H GLY 41 8.971 2.452 -7.338 309 HA2 GLY 41 1HA GLY 41 7.489 0.363 -6.046 310 HA3 GLY 41 2HA GLY 41 8.943 1.154 -5.436 311 H ILE 42 H ILE 42 6.361 0.333 -4.243 312 HA ILE 42 HA ILE 42 4.765 2.522 -3.492 313 HB ILE 42 HB ILE 42 4.158 0.126 -3.060 314 HG12 ILE 42 1HG1 ILE 42 3.487 0.388 -0.596 315 HG13 ILE 42 2HG1 ILE 42 4.226 1.981 -0.662 316 HG21 ILE 42 1HG2 ILE 42 6.106 0.199 -0.700 317 HG22 ILE 42 2HG2 ILE 42 5.107 -1.164 -1.250 318 HG23 ILE 42 3HG2 ILE 42 6.464 -0.616 -2.249 319 HD11 ILE 42 1HD1 ILE 42 2.654 2.554 -2.551 320 HD12 ILE 42 2HD1 ILE 42 1.852 0.987 -2.260 321 HD13 ILE 42 3HD1 ILE 42 1.870 2.224 -0.991 322 H VAL 43 H VAL 43 7.878 1.419 -2.136 323 HA VAL 43 HA VAL 43 7.850 3.159 0.121 324 HB VAL 43 HB VAL 43 10.259 2.102 -1.451 325 HG11 VAL 43 1HG1 VAL 43 11.497 2.393 0.674 326 HG12 VAL 43 2HG1 VAL 43 10.850 3.945 0.107 327 HG13 VAL 43 3HG1 VAL 43 10.045 3.082 1.434 328 HG21 VAL 43 1HG2 VAL 43 10.285 0.302 0.301 329 HG22 VAL 43 2HG2 VAL 43 8.727 0.913 0.909 330 HG23 VAL 43 3HG2 VAL 43 8.847 0.237 -0.732 331 H GLU 44 H GLU 44 8.949 3.629 -3.267 332 HA GLU 44 HA GLU 44 10.122 6.189 -2.712 333 HB2 GLU 44 1HB GLU 44 10.077 4.468 -4.869 334 HB3 GLU 44 2HB GLU 44 9.102 5.839 -5.420 335 HG2 GLU 44 1HG GLU 44 11.012 7.319 -4.533 336 HG3 GLU 44 2HG GLU 44 11.963 5.828 -4.467 337 H GLU 45 H GLU 45 6.846 5.114 -3.359 338 HA GLU 45 HA GLU 45 5.944 7.830 -4.000 339 HB2 GLU 45 1HB GLU 45 4.349 5.302 -3.455 340 HB3 GLU 45 2HB GLU 45 3.733 6.802 -4.153 341 HG2 GLU 45 1HG GLU 45 5.991 5.892 -5.706 342 HG3 GLU 45 2HG GLU 45 4.861 4.556 -5.487 343 H CYS 46 H CYS 46 5.771 5.539 -1.248 344 HA CYS 46 HA CYS 46 4.170 7.521 0.254 345 HB2 CYS 46 1HB CYS 46 4.881 4.629 0.811 346 HB3 CYS 46 2HB CYS 46 3.866 5.641 1.839 347 H CYS 47 H CYS 47 7.473 6.334 0.310 348 HA CYS 47 HA CYS 47 7.764 7.445 3.075 349 HB2 CYS 47 1HB CYS 47 8.303 5.049 2.757 350 HB3 CYS 47 2HB CYS 47 9.550 5.499 1.592 351 H PHE 48 H PHE 48 9.277 7.385 -0.178 352 HA PHE 48 HA PHE 48 11.179 9.513 0.553 353 HB2 PHE 48 1HB PHE 48 10.405 8.182 -2.054 354 HB3 PHE 48 2HB PHE 48 11.502 9.551 -1.992 355 HD1 PHE 48 1HD PHE 48 11.089 6.008 -0.902 356 HD2 PHE 48 2HD PHE 48 13.777 9.324 -1.377 357 HE1 PHE 48 1HE PHE 48 13.008 4.484 -0.541 358 HE2 PHE 48 2HE PHE 48 15.715 7.813 -0.989 359 HZ PHE 48 HZ PHE 48 15.335 5.382 -0.561 360 H ARG 49 H ARG 49 7.915 9.267 -0.420 361 HA ARG 49 HA ARG 49 7.628 12.199 -0.694 362 HB2 ARG 49 1HB ARG 49 6.648 10.109 -2.702 363 HB3 ARG 49 2HB ARG 49 6.022 11.761 -2.619 364 HG2 ARG 49 1HG ARG 49 8.250 12.629 -3.066 365 HG3 ARG 49 2HG ARG 49 8.875 10.977 -3.202 366 HD2 ARG 49 1HD ARG 49 7.326 10.536 -5.063 367 HD3 ARG 49 2HD ARG 49 6.723 12.205 -4.944 368 HE ARG 49 HE ARG 49 9.559 12.244 -5.203 369 HH11 ARG 49 1HH1 ARG 49 6.704 11.583 -7.170 370 HH12 ARG 49 2HH1 ARG 49 7.498 12.047 -8.649 371 HH21 ARG 49 1HH2 ARG 49 10.514 12.809 -7.124 372 HH22 ARG 49 2HH2 ARG 49 9.626 12.725 -8.620 373 H SER 50 H SER 50 5.007 12.399 -0.793 374 HA SER 50 HA SER 50 3.949 10.516 1.272 375 HB2 SER 50 1HB SER 50 2.901 13.186 0.247 376 HB3 SER 50 2HB SER 50 2.115 12.181 1.485 377 HG SER 50 HG SER 50 3.747 12.558 2.871 378 H CYS 51 H CYS 51 1.807 9.564 0.877 379 HA CYS 51 HA CYS 51 0.976 9.529 -1.974 380 HB2 CYS 51 1HB CYS 51 0.922 7.120 -2.032 381 HB3 CYS 51 2HB CYS 51 2.545 7.625 -1.565 382 H ASP 52 H ASP 52 -1.149 8.508 -2.255 383 HA ASP 52 HA ASP 52 -2.899 9.091 0.092 384 HB2 ASP 52 1HB ASP 52 -3.285 9.345 -2.903 385 HB3 ASP 52 2HB ASP 52 -4.633 9.413 -1.758 386 H LEU 53 H LEU 53 -4.962 7.971 0.131 387 HA LEU 53 HA LEU 53 -4.732 5.175 0.270 388 HB2 LEU 53 1HB LEU 53 -6.431 6.493 1.440 389 HB3 LEU 53 2HB LEU 53 -7.158 6.965 -0.091 390 HG LEU 53 HG LEU 53 -7.880 4.642 -0.495 391 HD11 LEU 53 1HD1 LEU 53 -6.203 3.405 0.752 392 HD12 LEU 53 2HD1 LEU 53 -7.816 3.022 1.378 393 HD13 LEU 53 3HD1 LEU 53 -6.759 4.132 2.282 394 HD21 LEU 53 1HD2 LEU 53 -9.648 4.629 1.213 395 HD22 LEU 53 2HD2 LEU 53 -9.362 6.274 0.604 396 HD23 LEU 53 3HD2 LEU 53 -8.724 5.791 2.196 397 H ALA 54 H ALA 54 -6.168 7.129 -2.379 398 HA ALA 54 HA ALA 54 -7.133 4.915 -3.880 399 HB1 ALA 54 1HB ALA 54 -7.191 6.512 -5.775 400 HB2 ALA 54 2HB ALA 54 -7.845 7.244 -4.292 401 HB3 ALA 54 3HB ALA 54 -6.204 7.661 -4.843 402 H LEU 55 H LEU 55 -3.962 6.552 -3.918 403 HA LEU 55 HA LEU 55 -2.938 5.004 -6.126 404 HB2 LEU 55 1HB LEU 55 -1.873 7.061 -5.678 405 HB3 LEU 55 2HB LEU 55 -1.794 6.746 -3.951 406 HG LEU 55 HG LEU 55 -0.036 5.107 -4.265 407 HD11 LEU 55 1HD1 LEU 55 -0.483 4.174 -6.435 408 HD12 LEU 55 2HD1 LEU 55 1.107 4.931 -6.490 409 HD13 LEU 55 3HD1 LEU 55 -0.283 5.760 -7.221 410 HD21 LEU 55 1HD2 LEU 55 1.705 6.643 -4.827 411 HD22 LEU 55 2HD2 LEU 55 0.423 7.531 -3.992 412 HD23 LEU 55 3HD2 LEU 55 0.587 7.663 -5.757 413 H LEU 56 H LEU 56 -2.703 4.772 -2.548 414 HA LEU 56 HA LEU 56 -0.875 2.632 -2.538 415 HB2 LEU 56 1HB LEU 56 -1.703 4.162 -0.650 416 HB3 LEU 56 2HB LEU 56 -3.031 3.020 -0.444 417 HG LEU 56 HG LEU 56 -0.254 1.920 -0.504 418 HD11 LEU 56 1HD1 LEU 56 0.103 2.478 1.883 419 HD12 LEU 56 2HD1 LEU 56 -1.365 3.485 1.857 420 HD13 LEU 56 3HD1 LEU 56 0.037 3.929 0.862 421 HD21 LEU 56 1HD2 LEU 56 -1.157 0.497 1.305 422 HD22 LEU 56 2HD2 LEU 56 -2.151 0.413 -0.157 423 HD23 LEU 56 3HD2 LEU 56 -2.684 1.383 1.231 424 H GLU 57 H GLU 57 -4.395 2.621 -2.851 425 HA GLU 57 HA GLU 57 -4.851 -0.165 -2.519 426 HB2 GLU 57 1HB GLU 57 -6.491 1.775 -2.606 427 HB3 GLU 57 2HB GLU 57 -6.347 1.730 -4.361 428 HG2 GLU 57 1HG GLU 57 -7.277 -0.501 -4.431 429 HG3 GLU 57 2HG GLU 57 -7.218 -0.620 -2.670 430 HE2 GLU 57 HE2 GLU 57 -10.007 1.605 -4.383 431 H THR 58 H THR 58 -3.378 1.517 -5.223 432 HA THR 58 HA THR 58 -4.126 -0.482 -7.180 433 HB THR 58 HB THR 58 -2.602 0.632 -8.693 434 HG1 THR 58 1HG THR 58 -1.719 2.135 -6.428 435 HG21 THR 58 1HG2 THR 58 -3.933 2.714 -6.884 436 HG22 THR 58 2HG2 THR 58 -4.777 1.768 -8.127 437 HG23 THR 58 3HG2 THR 58 -3.499 2.912 -8.594 438 H TYR 59 H TYR 59 -1.841 -0.498 -4.643 439 HA TYR 59 HA TYR 59 -0.021 -2.384 -6.020 440 HB2 TYR 59 1HB TYR 59 -0.024 -1.127 -3.260 441 HB3 TYR 59 2HB TYR 59 1.149 -2.343 -3.777 442 HD1 TYR 59 1HD TYR 59 2.931 -1.828 -5.340 443 HD2 TYR 59 2HD TYR 59 -0.002 1.157 -4.342 444 HE1 TYR 59 1HE TYR 59 4.359 -0.060 -6.390 445 HE2 TYR 59 2HE TYR 59 1.443 2.913 -5.365 446 HH TYR 59 HH TYR 59 4.541 2.122 -6.985 447 H CYS 60 H CYS 60 -3.021 -2.765 -4.760 448 HA CYS 60 HA CYS 60 -2.606 -5.116 -3.106 449 HB2 CYS 60 1HB CYS 60 -5.057 -4.246 -4.677 450 HB3 CYS 60 2HB CYS 60 -5.011 -5.487 -3.417 451 H ALA 61 H ALA 61 -3.193 -7.314 -3.730 452 HA ALA 61 HA ALA 61 -2.059 -7.916 -6.378 453 HB1 ALA 61 1HB ALA 61 -2.899 -9.755 -4.101 454 HB2 ALA 61 2HB ALA 61 -1.977 -10.233 -5.540 455 HB3 ALA 61 3HB ALA 61 -1.262 -9.110 -4.361 456 H THR 62 H THR 62 -2.982 -9.648 -7.715 457 HA THR 62 HA THR 62 -5.863 -9.218 -8.112 458 HB THR 62 HB THR 62 -5.409 -10.489 -10.253 459 HG1 THR 62 1HG THR 62 -3.526 -11.580 -9.288 460 HG21 THR 62 1HG2 THR 62 -3.499 -8.156 -9.780 461 HG22 THR 62 2HG2 THR 62 -5.230 -7.992 -10.168 462 HG23 THR 62 3HG2 THR 62 -4.116 -8.726 -11.344 463 HA PRO 63 HA PRO 63 -6.635 -13.101 -6.162 464 HB2 PRO 63 1HB PRO 63 -9.124 -13.698 -7.139 465 HB3 PRO 63 2HB PRO 63 -8.812 -12.449 -5.900 466 HG2 PRO 63 1HG PRO 63 -9.164 -12.143 -8.876 467 HG3 PRO 63 2HG PRO 63 -9.941 -11.218 -7.548 468 HD2 PRO 63 1HD PRO 63 -7.788 -10.264 -8.876 469 HD3 PRO 63 2HD PRO 63 -7.991 -9.993 -7.110 470 H ALA 64 H ALA 64 -6.504 -15.229 -6.417 471 HA ALA 64 HA ALA 64 -5.654 -16.172 -9.063 472 HB1 ALA 64 1HB ALA 64 -4.911 -18.174 -7.837 473 HB2 ALA 64 2HB ALA 64 -4.315 -16.686 -7.066 474 HB3 ALA 64 3HB ALA 64 -5.690 -17.569 -6.358 475 H LYS 65 H LYS 65 -8.021 -15.799 -9.733 476 HA LYS 65 HA LYS 65 -9.985 -16.694 -10.533 477 HB2 LYS 65 1HB LYS 65 -8.177 -18.386 -11.279 478 HB3 LYS 65 2HB LYS 65 -8.861 -19.455 -10.053 479 HG2 LYS 65 1HG LYS 65 -11.047 -19.405 -11.217 480 HG3 LYS 65 2HG LYS 65 -10.408 -18.230 -12.381 481 HD2 LYS 65 1HD LYS 65 -10.367 -20.387 -13.432 482 HD3 LYS 65 2HD LYS 65 -8.692 -19.941 -13.064 483 HE2 LYS 65 1HE LYS 65 -8.767 -21.370 -11.027 484 HE3 LYS 65 2HE LYS 65 -10.440 -21.821 -11.417 485 HZ1 LYS 65 1HZ LYS 65 -9.627 -22.798 -13.478 486 HZ2 LYS 65 2HZ LYS 65 -8.852 -23.477 -12.191 487 HZ3 LYS 65 3HZ LYS 65 -8.076 -22.364 -13.127 488 H SER 66 H SER 66 -9.647 -16.307 -7.595 489 HA SER 66 HA SER 66 -12.198 -17.595 -6.831 490 HB2 SER 66 1HB SER 66 -10.456 -19.072 -5.843 491 HB3 SER 66 2HB SER 66 -9.679 -17.653 -5.109 492 HG SER 66 HG SER 66 -11.054 -18.650 -3.617 493 H GLU 67 H GLU 67 -13.437 -15.871 -6.297 494 HA GLU 67 HA GLU 67 -12.113 -13.310 -6.140 495 HB2 GLU 67 1HB GLU 67 -14.264 -13.744 -7.382 496 HB3 GLU 67 2HB GLU 67 -15.110 -13.896 -5.845 497 HG2 GLU 67 1HG GLU 67 -15.339 -11.593 -6.848 498 HG3 GLU 67 2HG GLU 67 -14.559 -11.540 -5.275 Start of MODEL 7 1 HA ALA 1 HA ALA 1 -8.126 11.658 16.811 2 HB1 ALA 1 1HB ALA 1 -8.316 14.056 16.127 3 HB2 ALA 1 2HB ALA 1 -6.574 14.268 16.389 4 HB3 ALA 1 3HB ALA 1 -7.152 13.190 15.107 5 H TYR 2 H TYR 2 -6.733 10.473 15.550 6 HA TYR 2 HA TYR 2 -4.276 9.693 16.944 7 HB2 TYR 2 1HB TYR 2 -5.949 8.163 15.700 8 HB3 TYR 2 2HB TYR 2 -5.150 8.705 14.221 9 HD1 TYR 2 1HD TYR 2 -3.138 7.607 13.517 10 HD2 TYR 2 2HD TYR 2 -4.490 7.133 17.580 11 HE1 TYR 2 1HE TYR 2 -1.369 5.894 13.914 12 HE2 TYR 2 2HE TYR 2 -2.715 5.419 17.963 13 HH TYR 2 HH TYR 2 -0.479 4.377 15.395 14 H ARG 3 H ARG 3 -2.195 9.575 15.772 15 HA ARG 3 HA ARG 3 -1.596 12.155 14.590 16 HB2 ARG 3 1HB ARG 3 0.074 9.641 14.864 17 HB3 ARG 3 2HB ARG 3 0.694 11.182 14.277 18 HG2 ARG 3 1HG ARG 3 0.116 12.245 16.424 19 HG3 ARG 3 2HG ARG 3 -0.478 10.691 17.039 20 HD2 ARG 3 1HD ARG 3 1.760 9.714 16.809 21 HD3 ARG 3 2HD ARG 3 2.358 11.215 16.083 22 HE ARG 3 HE ARG 3 2.406 12.243 18.167 23 HH11 ARG 3 1HH1 ARG 3 0.878 9.075 18.528 24 HH12 ARG 3 2HH1 ARG 3 0.936 9.148 20.269 25 HH21 ARG 3 1HH2 ARG 3 2.448 12.256 20.382 26 HH22 ARG 3 2HH2 ARG 3 1.820 10.910 21.293 27 HA PRO 4 HA PRO 4 -2.474 10.992 10.494 28 HB2 PRO 4 1HB PRO 4 -1.103 12.804 9.003 29 HB3 PRO 4 2HB PRO 4 -2.461 13.279 10.072 30 HG2 PRO 4 1HG PRO 4 0.497 13.405 10.591 31 HG3 PRO 4 2HG PRO 4 -0.748 14.666 10.847 32 HD2 PRO 4 1HD PRO 4 0.176 13.041 12.846 33 HD3 PRO 4 2HD PRO 4 -1.501 13.667 12.825 34 H SER 5 H SER 5 -1.743 9.963 8.628 35 HA SER 5 HA SER 5 1.045 8.892 8.785 36 HB2 SER 5 1HB SER 5 -1.426 7.589 7.590 37 HB3 SER 5 2HB SER 5 0.181 6.858 7.787 38 HG SER 5 HG SER 5 -0.097 7.120 10.062 39 H GLU 6 H GLU 6 1.184 11.149 7.561 40 HA GLU 6 HA GLU 6 0.377 11.243 4.794 41 HB2 GLU 6 1HB GLU 6 2.697 12.583 6.249 42 HB3 GLU 6 2HB GLU 6 2.164 12.995 4.614 43 HG2 GLU 6 1HG GLU 6 0.485 13.227 7.115 44 HG3 GLU 6 2HG GLU 6 1.345 14.558 6.334 45 HE2 GLU 6 HE2 GLU 6 -2.189 13.824 5.209 46 H THR 7 H THR 7 3.225 10.118 6.533 47 HA THR 7 HA THR 7 4.186 8.814 4.031 48 HB THR 7 HB THR 7 6.505 9.033 5.025 49 HG1 THR 7 1HG THR 7 6.747 10.535 6.698 50 HG21 THR 7 1HG2 THR 7 6.840 11.343 4.365 51 HG22 THR 7 2HG2 THR 7 5.108 11.699 4.573 52 HG23 THR 7 3HG2 THR 7 5.646 10.606 3.276 53 H LEU 8 H LEU 8 5.052 6.820 4.214 54 HA LEU 8 HA LEU 8 4.700 5.378 6.808 55 HB2 LEU 8 1HB LEU 8 3.700 4.575 4.064 56 HB3 LEU 8 2HB LEU 8 3.770 3.508 5.450 57 HG LEU 8 HG LEU 8 2.118 5.988 5.402 58 HD11 LEU 8 1HD1 LEU 8 1.449 4.569 3.578 59 HD12 LEU 8 2HD1 LEU 8 0.232 4.544 4.868 60 HD13 LEU 8 3HD1 LEU 8 1.354 3.179 4.685 61 HD21 LEU 8 1HD2 LEU 8 2.555 5.174 7.644 62 HD22 LEU 8 2HD2 LEU 8 2.068 3.532 7.157 63 HD23 LEU 8 3HD2 LEU 8 0.868 4.833 7.206 64 H CYS 9 H CYS 9 6.261 3.922 7.156 65 HA CYS 9 HA CYS 9 7.837 2.838 4.933 66 HB2 CYS 9 1HB CYS 9 8.746 5.204 6.027 67 HB3 CYS 9 2HB CYS 9 9.570 4.009 7.034 68 H GLY 10 H GLY 10 9.337 1.128 5.800 69 HA2 GLY 10 1HA GLY 10 9.697 -0.690 7.188 70 HA3 GLY 10 2HA GLY 10 9.172 0.325 8.542 71 H GLY 11 H GLY 11 7.942 -1.238 9.561 72 HA2 GLY 11 1HA GLY 11 6.033 -2.874 8.225 73 HA3 GLY 11 2HA GLY 11 6.081 -2.523 9.960 74 H GLU 12 H GLU 12 5.838 0.483 9.299 75 HA GLU 12 HA GLU 12 3.022 0.612 9.688 76 HB2 GLU 12 1HB GLU 12 4.861 2.755 8.565 77 HB3 GLU 12 2HB GLU 12 3.257 3.020 9.252 78 HG2 GLU 12 1HG GLU 12 4.061 2.243 11.451 79 HG3 GLU 12 2HG GLU 12 5.673 1.973 10.770 80 H LEU 13 H LEU 13 4.983 0.750 6.742 81 HA LEU 13 HA LEU 13 2.829 1.638 5.017 82 HB2 LEU 13 1HB LEU 13 5.224 1.842 4.456 83 HB3 LEU 13 2HB LEU 13 5.404 0.093 4.459 84 HG LEU 13 HG LEU 13 4.109 -0.137 2.451 85 HD11 LEU 13 1HD1 LEU 13 3.245 1.846 1.215 86 HD12 LEU 13 2HD1 LEU 13 3.610 2.858 2.627 87 HD13 LEU 13 3HD1 LEU 13 2.393 1.565 2.740 88 HD21 LEU 13 1HD2 LEU 13 5.583 1.077 0.918 89 HD22 LEU 13 2HD2 LEU 13 6.508 0.483 2.308 90 HD23 LEU 13 3HD2 LEU 13 6.049 2.202 2.215 91 H VAL 14 H VAL 14 4.160 -1.500 6.058 92 HA VAL 14 HA VAL 14 2.547 -3.170 4.358 93 HB VAL 14 HB VAL 14 3.968 -3.746 7.010 94 HG11 VAL 14 1HG1 VAL 14 3.816 -6.124 6.399 95 HG12 VAL 14 2HG1 VAL 14 2.215 -5.405 6.639 96 HG13 VAL 14 3HG1 VAL 14 2.821 -5.692 4.992 97 HG21 VAL 14 1HG2 VAL 14 5.481 -3.070 5.163 98 HG22 VAL 14 2HG2 VAL 14 5.697 -4.776 5.595 99 HG23 VAL 14 3HG2 VAL 14 4.774 -4.347 4.138 100 H ASP 15 H ASP 15 2.172 -1.926 7.690 101 HA ASP 15 HA ASP 15 -0.197 -3.349 8.353 102 HB2 ASP 15 1HB ASP 15 0.667 -0.544 9.183 103 HB3 ASP 15 2HB ASP 15 -0.572 -1.514 9.989 104 H THR 16 H THR 16 0.342 -0.238 6.689 105 HA THR 16 HA THR 16 -2.451 0.388 6.416 106 HB THR 16 HB THR 16 -0.142 1.290 4.649 107 HG1 THR 16 1HG THR 16 0.223 1.761 6.856 108 HG21 THR 16 1HG2 THR 16 -1.611 3.321 4.384 109 HG22 THR 16 2HG2 THR 16 -2.908 2.445 5.219 110 HG23 THR 16 3HG2 THR 16 -2.296 1.858 3.651 111 H LEU 17 H LEU 17 -0.130 -1.395 4.333 112 HA LEU 17 HA LEU 17 -1.923 -1.679 2.111 113 HB2 LEU 17 1HB LEU 17 0.448 -3.254 3.115 114 HB3 LEU 17 2HB LEU 17 -0.486 -3.804 1.728 115 HG LEU 17 HG LEU 17 0.508 -0.974 1.729 116 HD11 LEU 17 1HD1 LEU 17 2.485 -2.248 2.392 117 HD12 LEU 17 2HD1 LEU 17 2.635 -1.649 0.732 118 HD13 LEU 17 3HD1 LEU 17 2.244 -3.357 1.025 119 HD21 LEU 17 1HD2 LEU 17 0.308 -3.061 -0.482 120 HD22 LEU 17 2HD2 LEU 17 0.583 -1.314 -0.672 121 HD23 LEU 17 3HD2 LEU 17 -0.980 -1.906 -0.077 122 H GLN 18 H GLN 18 -1.524 -3.551 5.136 123 HA GLN 18 HA GLN 18 -3.487 -5.557 4.424 124 HB2 GLN 18 1HB GLN 18 -2.433 -4.586 7.094 125 HB3 GLN 18 2HB GLN 18 -3.592 -5.909 6.920 126 HG2 GLN 18 1HG GLN 18 -2.000 -7.183 5.594 127 HG3 GLN 18 2HG GLN 18 -0.836 -5.853 5.670 128 HE21 GLN 18 1HE2 GLN 18 0.628 -7.379 8.405 129 HE22 GLN 18 2HE2 GLN 18 0.777 -6.748 6.779 130 H PHE 19 H PHE 19 -3.700 -2.373 6.069 131 HA PHE 19 HA PHE 19 -6.470 -2.629 6.779 132 HB2 PHE 19 1HB PHE 19 -4.967 -0.947 7.748 133 HB3 PHE 19 2HB PHE 19 -4.788 -0.171 6.173 134 HD1 PHE 19 1HD PHE 19 -6.372 1.402 5.360 135 HD2 PHE 19 2HD PHE 19 -7.254 -0.928 8.867 136 HE1 PHE 19 1HE PHE 19 -8.360 2.834 5.798 137 HE2 PHE 19 2HE PHE 19 -9.247 0.500 9.318 138 HZ PHE 19 HZ PHE 19 -9.804 2.386 7.782 139 H VAL 20 H VAL 20 -4.867 -1.358 3.839 140 HA VAL 20 HA VAL 20 -7.375 -0.428 2.701 141 HB VAL 20 HB VAL 20 -4.585 -0.770 1.485 142 HG11 VAL 20 1HG1 VAL 20 -7.028 0.668 0.354 143 HG12 VAL 20 2HG1 VAL 20 -5.374 0.786 -0.301 144 HG13 VAL 20 3HG1 VAL 20 -6.235 -0.765 -0.331 145 HG21 VAL 20 1HG2 VAL 20 -6.091 1.620 2.633 146 HG22 VAL 20 2HG2 VAL 20 -4.600 0.906 3.251 147 HG23 VAL 20 3HG2 VAL 20 -4.583 1.761 1.703 148 H CYS 21 H CYS 21 -5.397 -3.381 2.299 149 HA CYS 21 HA CYS 21 -7.582 -4.407 0.526 150 HB2 CYS 21 1HB CYS 21 -4.593 -4.570 0.161 151 HB3 CYS 21 2HB CYS 21 -5.718 -5.640 -0.687 152 H GLY 22 H GLY 22 -5.031 -5.371 2.842 153 HA2 GLY 22 1HA GLY 22 -4.862 -7.270 4.131 154 HA3 GLY 22 2HA GLY 22 -6.619 -7.184 4.169 155 H ASP 23 H ASP 23 -7.742 -8.812 3.464 156 HA ASP 23 HA ASP 23 -6.616 -11.294 2.766 157 HB2 ASP 23 1HB ASP 23 -9.391 -10.203 2.171 158 HB3 ASP 23 2HB ASP 23 -8.942 -11.918 2.196 159 H ARG 24 H ARG 24 -7.393 -8.572 0.707 160 HA ARG 24 HA ARG 24 -7.644 -10.099 -1.750 161 HB2 ARG 24 1HB ARG 24 -6.875 -7.194 -1.308 162 HB3 ARG 24 2HB ARG 24 -7.347 -7.897 -2.849 163 HG2 ARG 24 1HG ARG 24 -9.116 -7.539 -0.388 164 HG3 ARG 24 2HG ARG 24 -9.204 -6.635 -1.905 165 HD2 ARG 24 1HD ARG 24 -9.812 -9.583 -1.477 166 HD3 ARG 24 2HD ARG 24 -10.968 -8.305 -1.880 167 HE ARG 24 HE ARG 24 -9.093 -9.678 -3.672 168 HH11 ARG 24 1HH1 ARG 24 -11.201 -6.864 -3.338 169 HH12 ARG 24 2HH1 ARG 24 -11.280 -6.603 -5.059 170 HH21 ARG 24 1HH2 ARG 24 -9.237 -9.283 -5.842 171 HH22 ARG 24 2HH2 ARG 24 -10.184 -7.954 -6.453 172 H GLY 25 H GLY 25 -4.988 -9.211 0.226 173 HA2 GLY 25 1HA GLY 25 -2.783 -9.855 -0.038 174 HA3 GLY 25 2HA GLY 25 -3.141 -10.428 -1.677 175 H PHE 26 H PHE 26 -0.815 -8.994 -0.951 176 HA PHE 26 HA PHE 26 -0.912 -6.890 -2.954 177 HB2 PHE 26 1HB PHE 26 -0.176 -5.079 -1.504 178 HB3 PHE 26 2HB PHE 26 -1.741 -5.657 -0.930 179 HD1 PHE 26 1HD PHE 26 -1.967 -6.757 1.242 180 HD2 PHE 26 2HD PHE 26 1.895 -5.532 -0.219 181 HE1 PHE 26 1HE PHE 26 -0.994 -7.093 3.517 182 HE2 PHE 26 2HE PHE 26 2.866 -5.876 2.047 183 HZ PHE 26 HZ PHE 26 1.420 -6.650 3.913 184 H TYR 27 H TYR 27 1.384 -6.100 -3.277 185 HA TYR 27 HA TYR 27 3.433 -7.469 -1.710 186 HB2 TYR 27 1HB TYR 27 4.590 -8.400 -3.736 187 HB3 TYR 27 2HB TYR 27 3.115 -9.244 -3.265 188 HD1 TYR 27 1HD TYR 27 4.594 -6.948 -5.800 189 HD2 TYR 27 2HD TYR 27 1.184 -9.340 -4.712 190 HE1 TYR 27 1HE TYR 27 3.676 -6.705 -8.107 191 HE2 TYR 27 2HE TYR 27 0.278 -9.090 -7.022 192 HH TYR 27 HH TYR 27 1.957 -7.204 -9.534 193 H PHE 28 H PHE 28 5.574 -6.651 -2.182 194 HA PHE 28 HA PHE 28 5.425 -3.795 -2.876 195 HB2 PHE 28 1HB PHE 28 7.485 -5.647 -1.668 196 HB3 PHE 28 2HB PHE 28 7.995 -4.099 -2.348 197 HD1 PHE 28 1HD PHE 28 5.035 -5.147 -0.203 198 HD2 PHE 28 2HD PHE 28 8.429 -2.540 -0.704 199 HE1 PHE 28 1HE PHE 28 4.455 -3.991 1.909 200 HE2 PHE 28 2HE PHE 28 7.839 -1.373 1.415 201 HZ PHE 28 HZ PHE 28 5.848 -2.097 2.725 202 H SER 29 H SER 29 6.800 -2.834 -4.472 203 HA SER 29 HA SER 29 7.014 -4.364 -6.929 204 HB2 SER 29 1HB SER 29 8.170 -2.218 -7.707 205 HB3 SER 29 2HB SER 29 6.515 -2.015 -7.093 206 HG SER 29 HG SER 29 8.931 -1.561 -5.665 207 H ARG 30 H ARG 30 8.237 -6.045 -6.553 208 HA ARG 30 HA ARG 30 10.791 -6.043 -5.485 209 HB2 ARG 30 1HB ARG 30 9.600 -8.028 -5.478 210 HB3 ARG 30 2HB ARG 30 9.201 -7.882 -7.184 211 HG2 ARG 30 1HG ARG 30 10.694 -9.682 -6.917 212 HG3 ARG 30 2HG ARG 30 11.548 -8.387 -7.760 213 HD2 ARG 30 1HD ARG 30 12.878 -7.878 -5.875 214 HD3 ARG 30 2HD ARG 30 11.732 -8.617 -4.769 215 HE ARG 30 HE ARG 30 12.577 -10.761 -5.261 216 HH11 ARG 30 1HH1 ARG 30 14.323 -8.289 -7.087 217 HH12 ARG 30 2HH1 ARG 30 15.629 -9.376 -7.479 218 HH21 ARG 30 1HH2 ARG 30 14.274 -12.083 -5.804 219 HH22 ARG 30 2HH2 ARG 30 15.603 -11.482 -6.757 220 HA PRO 31 HA PRO 31 12.924 -6.184 -9.582 221 HB2 PRO 31 1HB PRO 31 11.758 -5.249 -11.874 222 HB3 PRO 31 2HB PRO 31 11.427 -6.898 -11.249 223 HG2 PRO 31 1HG PRO 31 9.808 -4.376 -10.871 224 HG3 PRO 31 2HG PRO 31 9.257 -5.994 -11.420 225 HD2 PRO 31 1HD PRO 31 9.056 -5.180 -8.799 226 HD3 PRO 31 2HD PRO 31 9.379 -6.883 -9.230 227 H ALA 32 H ALA 32 14.261 -4.597 -10.749 228 HA ALA 32 HA ALA 32 13.538 -1.749 -10.442 229 HB1 ALA 32 1HB ALA 32 16.110 -2.974 -9.318 230 HB2 ALA 32 2HB ALA 32 15.738 -1.235 -9.401 231 HB3 ALA 32 3HB ALA 32 14.774 -2.301 -8.351 232 H SER 33 H SER 33 14.916 -0.412 -11.851 233 HA SER 33 HA SER 33 15.691 -1.947 -14.246 234 HB2 SER 33 1HB SER 33 16.000 0.616 -14.973 235 HB3 SER 33 2HB SER 33 14.402 -0.162 -14.911 236 HG SER 33 HG SER 33 14.305 1.783 -13.787 237 H ARG 34 H ARG 34 17.733 -2.191 -14.976 238 HA ARG 34 HA ARG 34 19.952 -1.159 -13.304 239 HB2 ARG 34 1HB ARG 34 19.531 -3.553 -14.492 240 HB3 ARG 34 2HB ARG 34 20.449 -2.765 -15.777 241 HG2 ARG 34 1HG ARG 34 21.685 -2.337 -13.171 242 HG3 ARG 34 2HG ARG 34 21.462 -4.064 -13.501 243 HD2 ARG 34 1HD ARG 34 22.607 -3.777 -15.688 244 HD3 ARG 34 2HD ARG 34 22.865 -2.060 -15.313 245 HE ARG 34 HE ARG 34 23.903 -3.658 -13.190 246 HH11 ARG 34 1HH1 ARG 34 24.683 -2.803 -16.525 247 HH12 ARG 34 2HH1 ARG 34 26.388 -3.086 -16.296 248 HH21 ARG 34 1HH2 ARG 34 26.093 -3.987 -12.970 249 HH22 ARG 34 2HH2 ARG 34 27.166 -3.744 -14.321 250 H VAL 35 H VAL 35 18.153 -0.013 -15.696 251 HA VAL 35 HA VAL 35 20.348 1.577 -16.957 252 HB VAL 35 HB VAL 35 18.851 1.791 -18.958 253 HG11 VAL 35 1HG1 VAL 35 20.650 0.076 -18.899 254 HG12 VAL 35 2HG1 VAL 35 19.487 -1.109 -18.260 255 HG13 VAL 35 3HG1 VAL 35 19.268 -0.433 -19.890 256 HG21 VAL 35 1HG2 VAL 35 16.912 0.326 -19.250 257 HG22 VAL 35 2HG2 VAL 35 17.162 -0.402 -17.651 258 HG23 VAL 35 3HG2 VAL 35 16.679 1.305 -17.791 259 H SER 36 H SER 36 19.324 3.745 -17.774 260 HA SER 36 HA SER 36 18.395 5.096 -15.471 261 HB2 SER 36 1HB SER 36 18.133 6.257 -18.226 262 HB3 SER 36 2HB SER 36 18.759 7.003 -16.735 263 HG SER 36 HG SER 36 20.667 6.035 -17.049 264 H ARG 37 H ARG 37 16.345 3.098 -16.386 265 HA ARG 37 HA ARG 37 14.015 4.828 -17.057 266 HB2 ARG 37 1HB ARG 37 14.402 1.838 -16.691 267 HB3 ARG 37 2HB ARG 37 12.801 2.563 -16.825 268 HG2 ARG 37 1HG ARG 37 14.934 2.935 -18.952 269 HG3 ARG 37 2HG ARG 37 13.800 1.575 -18.955 270 HD2 ARG 37 1HD ARG 37 12.999 4.515 -19.010 271 HD3 ARG 37 2HD ARG 37 13.038 3.430 -20.412 272 HE ARG 37 HE ARG 37 11.418 2.250 -18.393 273 HH11 ARG 37 1HH1 ARG 37 11.284 4.961 -20.656 274 HH12 ARG 37 2HH1 ARG 37 9.544 4.946 -20.709 275 HH21 ARG 37 1HH2 ARG 37 9.199 2.300 -18.512 276 HH22 ARG 37 2HH2 ARG 37 8.389 3.463 -19.524 277 H ARG 38 H ARG 38 14.685 5.974 -14.972 278 HA ARG 38 HA ARG 38 14.128 4.808 -12.417 279 HB2 ARG 38 1HB ARG 38 13.665 7.209 -11.722 280 HB3 ARG 38 2HB ARG 38 15.260 6.895 -12.404 281 HG2 ARG 38 1HG ARG 38 13.342 7.698 -14.463 282 HG3 ARG 38 2HG ARG 38 13.497 8.908 -13.184 283 HD2 ARG 38 1HD ARG 38 15.809 9.201 -13.567 284 HD3 ARG 38 2HD ARG 38 15.954 7.655 -14.426 285 HE ARG 38 HE ARG 38 14.172 9.344 -15.866 286 HH11 ARG 38 1HH1 ARG 38 17.624 9.110 -15.155 287 HH12 ARG 38 2HH1 ARG 38 18.077 9.895 -16.644 288 HH21 ARG 38 1HH2 ARG 38 14.832 10.332 -17.748 289 HH22 ARG 38 2HH2 ARG 38 16.525 10.573 -18.079 290 H SER 39 H SER 39 12.225 4.483 -11.313 291 HA SER 39 HA SER 39 9.679 5.206 -12.668 292 HB2 SER 39 1HB SER 39 10.518 2.379 -11.901 293 HB3 SER 39 2HB SER 39 8.923 2.859 -12.515 294 HG SER 39 HG SER 39 11.419 3.046 -13.884 295 H ARG 40 H ARG 40 7.791 4.717 -11.301 296 HA ARG 40 HA ARG 40 8.194 5.516 -8.551 297 HB2 ARG 40 1HB ARG 40 5.760 5.130 -8.334 298 HB3 ARG 40 2HB ARG 40 6.138 6.110 -9.753 299 HG2 ARG 40 1HG ARG 40 5.400 4.511 -11.237 300 HG3 ARG 40 2HG ARG 40 5.919 3.166 -10.216 301 HD2 ARG 40 1HD ARG 40 3.582 3.031 -10.211 302 HD3 ARG 40 2HD ARG 40 3.998 3.745 -8.649 303 HE ARG 40 HE ARG 40 3.491 5.869 -10.434 304 HH11 ARG 40 1HH1 ARG 40 1.675 3.210 -8.970 305 HH12 ARG 40 2HH1 ARG 40 0.166 4.075 -9.039 306 HH21 ARG 40 1HH2 ARG 40 1.516 6.917 -10.488 307 HH22 ARG 40 2HH2 ARG 40 0.083 6.132 -9.885 308 H GLY 41 H GLY 41 7.427 4.288 -6.670 309 HA2 GLY 41 1HA GLY 41 7.107 1.397 -6.911 310 HA3 GLY 41 2HA GLY 41 8.597 1.903 -6.065 311 H ILE 42 H ILE 42 6.474 0.563 -4.637 312 HA ILE 42 HA ILE 42 4.673 2.480 -3.523 313 HB ILE 42 HB ILE 42 4.202 0.051 -3.533 314 HG12 ILE 42 1HG1 ILE 42 3.391 -0.128 -1.139 315 HG13 ILE 42 2HG1 ILE 42 4.213 1.393 -0.814 316 HG21 ILE 42 1HG2 ILE 42 6.490 -0.781 -2.950 317 HG22 ILE 42 2HG2 ILE 42 6.253 -0.193 -1.283 318 HG23 ILE 42 3HG2 ILE 42 5.218 -1.480 -1.930 319 HD11 ILE 42 1HD1 ILE 42 1.836 1.776 -1.194 320 HD12 ILE 42 2HD1 ILE 42 2.761 2.526 -2.505 321 HD13 ILE 42 3HD1 ILE 42 1.924 0.980 -2.775 322 H VAL 43 H VAL 43 7.906 1.398 -2.444 323 HA VAL 43 HA VAL 43 7.841 2.906 0.015 324 HB VAL 43 HB VAL 43 10.222 2.069 -1.721 325 HG11 VAL 43 1HG1 VAL 43 10.124 2.950 1.200 326 HG12 VAL 43 2HG1 VAL 43 11.561 2.335 0.351 327 HG13 VAL 43 3HG1 VAL 43 10.833 3.873 -0.146 328 HG21 VAL 43 1HG2 VAL 43 8.932 0.118 -0.999 329 HG22 VAL 43 2HG2 VAL 43 10.442 0.204 -0.075 330 HG23 VAL 43 3HG2 VAL 43 8.914 0.713 0.677 331 H GLU 44 H GLU 44 8.817 3.579 -3.337 332 HA GLU 44 HA GLU 44 9.997 6.105 -2.828 333 HB2 GLU 44 1HB GLU 44 9.703 4.430 -4.982 334 HB3 GLU 44 2HB GLU 44 8.686 5.809 -5.425 335 HG2 GLU 44 1HG GLU 44 10.661 7.281 -4.795 336 HG3 GLU 44 2HG GLU 44 11.620 5.795 -4.742 337 H GLU 45 H GLU 45 6.607 5.210 -3.240 338 HA GLU 45 HA GLU 45 5.922 8.066 -3.583 339 HB2 GLU 45 1HB GLU 45 3.691 7.332 -4.073 340 HB3 GLU 45 2HB GLU 45 4.857 6.404 -5.017 341 HG2 GLU 45 1HG GLU 45 4.639 4.669 -3.094 342 HG3 GLU 45 2HG GLU 45 3.142 5.511 -2.714 343 H CYS 46 H CYS 46 5.821 5.592 -1.028 344 HA CYS 46 HA CYS 46 4.207 7.503 0.596 345 HB2 CYS 46 1HB CYS 46 4.746 4.548 0.962 346 HB3 CYS 46 2HB CYS 46 3.860 5.561 2.104 347 H CYS 47 H CYS 47 7.459 6.177 0.466 348 HA CYS 47 HA CYS 47 7.882 7.129 3.274 349 HB2 CYS 47 1HB CYS 47 8.511 4.777 2.702 350 HB3 CYS 47 2HB CYS 47 9.692 5.409 1.553 351 H PHE 48 H PHE 48 9.320 7.246 -0.016 352 HA PHE 48 HA PHE 48 11.127 9.424 0.681 353 HB2 PHE 48 1HB PHE 48 10.176 8.247 -1.941 354 HB3 PHE 48 2HB PHE 48 11.249 9.633 -1.871 355 HD1 PHE 48 1HD PHE 48 13.569 9.412 -1.403 356 HD2 PHE 48 2HD PHE 48 10.963 6.011 -1.056 357 HE1 PHE 48 1HE PHE 48 15.547 7.909 -1.297 358 HE2 PHE 48 2HE PHE 48 12.927 4.505 -0.973 359 HZ PHE 48 HZ PHE 48 15.232 5.446 -1.072 360 H ARG 49 H ARG 49 7.822 9.123 -0.435 361 HA ARG 49 HA ARG 49 7.523 12.089 -0.319 362 HB2 ARG 49 1HB ARG 49 6.377 10.258 -2.470 363 HB3 ARG 49 2HB ARG 49 5.965 11.963 -2.252 364 HG2 ARG 49 1HG ARG 49 8.411 12.477 -2.551 365 HG3 ARG 49 2HG ARG 49 8.609 10.792 -3.075 366 HD2 ARG 49 1HD ARG 49 8.284 11.925 -5.089 367 HD3 ARG 49 2HD ARG 49 6.666 11.305 -4.708 368 HE ARG 49 HE ARG 49 5.905 13.472 -4.364 369 HH11 ARG 49 1HH1 ARG 49 9.429 13.588 -4.650 370 HH12 ARG 49 2HH1 ARG 49 9.451 15.326 -4.780 371 HH21 ARG 49 1HH2 ARG 49 6.022 15.687 -4.542 372 HH22 ARG 49 2HH2 ARG 49 7.560 16.487 -4.713 373 H SER 50 H SER 50 4.997 12.467 -0.528 374 HA SER 50 HA SER 50 3.696 10.763 1.539 375 HB2 SER 50 1HB SER 50 3.558 13.217 1.832 376 HB3 SER 50 2HB SER 50 2.820 13.374 0.225 377 HG SER 50 HG SER 50 1.321 13.325 2.053 378 H CYS 51 H CYS 51 1.639 9.749 1.072 379 HA CYS 51 HA CYS 51 0.964 9.581 -1.830 380 HB2 CYS 51 1HB CYS 51 0.742 7.151 -1.680 381 HB3 CYS 51 2HB CYS 51 2.383 7.679 -1.351 382 H ASP 52 H ASP 52 -1.152 8.145 -2.042 383 HA ASP 52 HA ASP 52 -3.074 9.137 0.029 384 HB2 ASP 52 1HB ASP 52 -3.455 9.175 -2.989 385 HB3 ASP 52 2HB ASP 52 -4.632 9.708 -1.780 386 H LEU 53 H LEU 53 -5.135 7.987 0.027 387 HA LEU 53 HA LEU 53 -4.863 5.229 0.231 388 HB2 LEU 53 1HB LEU 53 -6.617 6.588 1.282 389 HB3 LEU 53 2HB LEU 53 -7.336 6.915 -0.288 390 HG LEU 53 HG LEU 53 -7.932 4.517 -0.515 391 HD11 LEU 53 1HD1 LEU 53 -7.856 3.095 1.512 392 HD12 LEU 53 2HD1 LEU 53 -6.881 4.339 2.330 393 HD13 LEU 53 3HD1 LEU 53 -6.243 3.495 0.897 394 HD21 LEU 53 1HD2 LEU 53 -9.752 4.582 1.140 395 HD22 LEU 53 2HD2 LEU 53 -9.525 6.170 0.379 396 HD23 LEU 53 3HD2 LEU 53 -8.915 5.876 2.027 397 H ALA 54 H ALA 54 -6.499 6.940 -2.492 398 HA ALA 54 HA ALA 54 -7.203 4.564 -3.889 399 HB1 ALA 54 1HB ALA 54 -6.665 7.371 -4.966 400 HB2 ALA 54 2HB ALA 54 -7.534 6.075 -5.821 401 HB3 ALA 54 3HB ALA 54 -8.221 6.771 -4.336 402 H LEU 55 H LEU 55 -4.268 6.545 -3.978 403 HA LEU 55 HA LEU 55 -3.070 5.206 -6.215 404 HB2 LEU 55 1HB LEU 55 -2.166 7.305 -5.644 405 HB3 LEU 55 2HB LEU 55 -2.130 6.926 -3.930 406 HG LEU 55 HG LEU 55 -0.254 5.394 -4.271 407 HD11 LEU 55 1HD1 LEU 55 1.001 5.547 -6.449 408 HD12 LEU 55 2HD1 LEU 55 -0.454 6.298 -7.158 409 HD13 LEU 55 3HD1 LEU 55 -0.508 4.634 -6.505 410 HD21 LEU 55 1HD2 LEU 55 0.077 7.743 -3.687 411 HD22 LEU 55 2HD2 LEU 55 0.230 8.152 -5.410 412 HD23 LEU 55 3HD2 LEU 55 1.420 7.081 -4.627 413 H LEU 56 H LEU 56 -2.856 4.771 -2.651 414 HA LEU 56 HA LEU 56 -0.863 2.777 -2.763 415 HB2 LEU 56 1HB LEU 56 -1.726 4.166 -0.802 416 HB3 LEU 56 2HB LEU 56 -3.012 2.974 -0.635 417 HG LEU 56 HG LEU 56 -0.216 1.956 -0.741 418 HD11 LEU 56 1HD1 LEU 56 -1.357 3.427 1.661 419 HD12 LEU 56 2HD1 LEU 56 0.014 3.946 0.657 420 HD13 LEU 56 3HD1 LEU 56 0.147 2.476 1.640 421 HD21 LEU 56 1HD2 LEU 56 -2.620 1.311 1.002 422 HD22 LEU 56 2HD2 LEU 56 -1.072 0.462 1.044 423 HD23 LEU 56 3HD2 LEU 56 -2.078 0.390 -0.414 424 H GLU 57 H GLU 57 -4.376 2.554 -2.988 425 HA GLU 57 HA GLU 57 -4.704 -0.238 -2.707 426 HB2 GLU 57 1HB GLU 57 -6.435 1.610 -2.795 427 HB3 GLU 57 2HB GLU 57 -6.245 1.625 -4.548 428 HG2 GLU 57 1HG GLU 57 -7.051 -0.663 -4.695 429 HG3 GLU 57 2HG GLU 57 -7.104 -0.785 -2.931 430 HE2 GLU 57 HE2 GLU 57 -10.246 0.296 -2.876 431 H THR 58 H THR 58 -3.365 1.561 -5.412 432 HA THR 58 HA THR 58 -3.959 -0.440 -7.390 433 HB THR 58 HB THR 58 -2.493 0.773 -8.884 434 HG1 THR 58 1HG THR 58 -1.688 2.259 -6.572 435 HG21 THR 58 1HG2 THR 58 -3.932 2.761 -7.055 436 HG22 THR 58 2HG2 THR 58 -4.735 1.769 -8.288 437 HG23 THR 58 3HG2 THR 58 -3.529 2.983 -8.771 438 H TYR 59 H TYR 59 -1.671 -0.451 -4.850 439 HA TYR 59 HA TYR 59 0.166 -2.273 -6.314 440 HB2 TYR 59 1HB TYR 59 0.276 -0.779 -3.707 441 HB3 TYR 59 2HB TYR 59 1.303 -2.200 -3.949 442 HD1 TYR 59 1HD TYR 59 3.120 -2.222 -5.547 443 HD2 TYR 59 2HD TYR 59 0.621 1.260 -5.134 444 HE1 TYR 59 1HE TYR 59 4.748 -0.888 -6.882 445 HE2 TYR 59 2HE TYR 59 2.249 2.576 -6.489 446 HH TYR 59 HH TYR 59 5.192 1.077 -7.888 447 H CYS 60 H CYS 60 -2.754 -2.715 -4.977 448 HA CYS 60 HA CYS 60 -2.150 -5.073 -3.359 449 HB2 CYS 60 1HB CYS 60 -4.766 -4.066 -4.507 450 HB3 CYS 60 2HB CYS 60 -4.575 -5.346 -3.290 451 H ALA 61 H ALA 61 -3.023 -7.223 -3.924 452 HA ALA 61 HA ALA 61 -2.003 -7.929 -6.557 453 HB1 ALA 61 1HB ALA 61 -2.377 -10.240 -5.799 454 HB2 ALA 61 2HB ALA 61 -1.565 -9.293 -4.529 455 HB3 ALA 61 3HB ALA 61 -3.306 -9.649 -4.403 456 H THR 62 H THR 62 -3.192 -9.447 -7.995 457 HA THR 62 HA THR 62 -6.028 -8.619 -8.273 458 HB THR 62 HB THR 62 -5.639 -9.083 -10.737 459 HG1 THR 62 1HG THR 62 -3.480 -9.315 -11.394 460 HG21 THR 62 1HG2 THR 62 -3.694 -7.045 -9.573 461 HG22 THR 62 2HG2 THR 62 -5.439 -6.767 -9.785 462 HG23 THR 62 3HG2 THR 62 -4.403 -7.039 -11.202 463 HA PRO 63 HA PRO 63 -6.979 -12.885 -7.876 464 HB2 PRO 63 1HB PRO 63 -9.272 -13.154 -9.315 465 HB3 PRO 63 2HB PRO 63 -9.200 -12.152 -7.829 466 HG2 PRO 63 1HG PRO 63 -8.965 -11.293 -10.704 467 HG3 PRO 63 2HG PRO 63 -10.032 -10.643 -9.418 468 HD2 PRO 63 1HD PRO 63 -7.668 -9.471 -10.048 469 HD3 PRO 63 2HD PRO 63 -8.253 -9.533 -8.353 470 H ALA 64 H ALA 64 -7.223 -14.959 -8.983 471 HA ALA 64 HA ALA 64 -6.086 -14.936 -11.747 472 HB1 ALA 64 1HB ALA 64 -4.428 -15.642 -10.021 473 HB2 ALA 64 2HB ALA 64 -5.543 -16.930 -9.499 474 HB3 ALA 64 3HB ALA 64 -4.840 -16.969 -11.132 475 H LYS 65 H LYS 65 -6.521 -16.991 -12.931 476 HA LYS 65 HA LYS 65 -9.338 -17.617 -12.918 477 HB2 LYS 65 1HB LYS 65 -8.806 -19.200 -14.674 478 HB3 LYS 65 2HB LYS 65 -7.920 -17.700 -14.956 479 HG2 LYS 65 1HG LYS 65 -5.864 -18.746 -14.034 480 HG3 LYS 65 2HG LYS 65 -6.761 -20.257 -13.777 481 HD2 LYS 65 1HD LYS 65 -7.246 -20.355 -16.215 482 HD3 LYS 65 2HD LYS 65 -6.266 -18.891 -16.447 483 HE2 LYS 65 1HE LYS 65 -4.295 -20.073 -15.506 484 HE3 LYS 65 2HE LYS 65 -5.279 -21.536 -15.296 485 HZ1 LYS 65 1HZ LYS 65 -3.987 -21.615 -17.339 486 HZ2 LYS 65 2HZ LYS 65 -4.686 -20.227 -17.895 487 HZ3 LYS 65 3HZ LYS 65 -5.596 -21.588 -17.700 488 H SER 66 H SER 66 -10.246 -19.762 -12.612 489 HA SER 66 HA SER 66 -10.721 -21.602 -11.355 490 HB2 SER 66 1HB SER 66 -8.442 -22.259 -12.483 491 HB3 SER 66 2HB SER 66 -7.796 -22.117 -10.839 492 HG SER 66 HG SER 66 -10.053 -23.704 -11.551 493 H GLU 67 H GLU 67 -10.537 -19.039 -10.075 494 HA GLU 67 HA GLU 67 -9.466 -19.444 -7.408 495 HB2 GLU 67 1HB GLU 67 -10.562 -17.243 -6.908 496 HB3 GLU 67 2HB GLU 67 -9.480 -17.208 -8.290 497 HG2 GLU 67 1HG GLU 67 -11.593 -17.530 -9.794 498 HG3 GLU 67 2HG GLU 67 -12.533 -17.158 -8.355 Start of MODEL 8 1 HA ALA 1 HA ALA 1 1.611 15.760 19.313 2 HB1 ALA 1 1HB ALA 1 3.357 14.738 20.727 3 HB2 ALA 1 2HB ALA 1 2.553 16.046 21.619 4 HB3 ALA 1 3HB ALA 1 2.173 14.345 21.984 5 H TYR 2 H TYR 2 -0.685 14.343 18.849 6 HA TYR 2 HA TYR 2 -0.174 11.478 18.849 7 HB2 TYR 2 1HB TYR 2 -2.444 12.586 18.814 8 HB3 TYR 2 2HB TYR 2 -2.163 12.982 17.118 9 HD1 TYR 2 1HD TYR 2 -2.753 11.393 15.433 10 HD2 TYR 2 2HD TYR 2 -2.232 10.061 19.502 11 HE1 TYR 2 1HE TYR 2 -3.559 9.109 14.805 12 HE2 TYR 2 2HE TYR 2 -3.026 7.785 18.848 13 HH TYR 2 HH TYR 2 -3.805 6.440 17.178 14 H ARG 3 H ARG 3 0.203 10.142 17.046 15 HA ARG 3 HA ARG 3 2.323 11.009 15.386 16 HB2 ARG 3 1HB ARG 3 1.968 8.856 14.172 17 HB3 ARG 3 2HB ARG 3 2.089 8.671 15.924 18 HG2 ARG 3 1HG ARG 3 -0.149 8.101 16.180 19 HG3 ARG 3 2HG ARG 3 -0.647 8.930 14.701 20 HD2 ARG 3 1HD ARG 3 1.025 6.407 14.697 21 HD3 ARG 3 2HD ARG 3 -0.748 6.427 14.597 22 HE ARG 3 HE ARG 3 0.457 8.170 12.621 23 HH11 ARG 3 1HH1 ARG 3 -0.416 4.777 13.206 24 HH12 ARG 3 2HH1 ARG 3 -0.518 4.436 11.495 25 HH21 ARG 3 1HH2 ARG 3 0.338 7.633 10.516 26 HH22 ARG 3 2HH2 ARG 3 -0.106 6.026 10.003 27 HA PRO 4 HA PRO 4 0.101 12.611 11.869 28 HB2 PRO 4 1HB PRO 4 2.067 12.708 10.008 29 HB3 PRO 4 2HB PRO 4 2.148 13.752 11.468 30 HG2 PRO 4 1HG PRO 4 3.469 11.089 10.956 31 HG3 PRO 4 2HG PRO 4 4.202 12.615 11.541 32 HD2 PRO 4 1HD PRO 4 3.406 10.603 13.217 33 HD3 PRO 4 2HD PRO 4 3.351 12.344 13.698 34 H SER 5 H SER 5 -0.223 11.923 9.434 35 HA SER 5 HA SER 5 0.395 9.067 8.942 36 HB2 SER 5 1HB SER 5 -1.885 9.247 10.085 37 HB3 SER 5 2HB SER 5 -2.436 10.089 8.629 38 HG SER 5 HG SER 5 -1.919 8.256 7.425 39 H GLU 6 H GLU 6 1.489 11.417 7.816 40 HA GLU 6 HA GLU 6 0.196 11.760 5.178 41 HB2 GLU 6 1HB GLU 6 2.764 12.930 6.319 42 HB3 GLU 6 2HB GLU 6 1.993 13.388 4.787 43 HG2 GLU 6 1HG GLU 6 0.009 14.155 6.053 44 HG3 GLU 6 2HG GLU 6 0.833 13.740 7.565 45 HE2 GLU 6 HE2 GLU 6 -0.111 16.116 6.648 46 H THR 7 H THR 7 3.011 10.280 6.681 47 HA THR 7 HA THR 7 3.708 8.984 4.090 48 HB THR 7 HB THR 7 6.119 9.131 4.893 49 HG1 THR 7 1HG THR 7 6.490 10.830 6.441 50 HG21 THR 7 1HG2 THR 7 4.784 11.828 4.470 51 HG22 THR 7 2HG2 THR 7 5.211 10.688 3.171 52 HG23 THR 7 3HG2 THR 7 6.484 11.414 4.165 53 H LEU 8 H LEU 8 4.850 7.013 4.304 54 HA LEU 8 HA LEU 8 4.587 5.618 6.926 55 HB2 LEU 8 1HB LEU 8 3.517 4.708 4.245 56 HB3 LEU 8 2HB LEU 8 3.668 3.692 5.662 57 HG LEU 8 HG LEU 8 1.944 6.124 5.644 58 HD11 LEU 8 1HD1 LEU 8 0.075 4.626 5.129 59 HD12 LEU 8 2HD1 LEU 8 1.248 3.319 4.835 60 HD13 LEU 8 3HD1 LEU 8 1.252 4.771 3.804 61 HD21 LEU 8 1HD2 LEU 8 1.892 3.600 7.331 62 HD22 LEU 8 2HD2 LEU 8 0.784 4.982 7.470 63 HD23 LEU 8 3HD2 LEU 8 2.498 5.195 7.854 64 H CYS 9 H CYS 9 6.242 4.175 7.213 65 HA CYS 9 HA CYS 9 7.893 3.522 4.816 66 HB2 CYS 9 1HB CYS 9 8.720 5.380 6.621 67 HB3 CYS 9 2HB CYS 9 9.421 3.914 7.310 68 H GLY 10 H GLY 10 9.857 2.041 6.452 69 HA2 GLY 10 1HA GLY 10 8.863 -0.495 6.153 70 HA3 GLY 10 2HA GLY 10 10.104 -0.091 7.346 71 H GLY 11 H GLY 11 7.549 -1.907 7.106 72 HA2 GLY 11 1HA GLY 11 6.255 -2.894 8.761 73 HA3 GLY 11 2HA GLY 11 6.840 -1.695 9.922 74 H GLU 12 H GLU 12 6.017 0.680 9.124 75 HA GLU 12 HA GLU 12 3.209 0.658 9.689 76 HB2 GLU 12 1HB GLU 12 4.950 2.848 8.518 77 HB3 GLU 12 2HB GLU 12 3.355 3.084 9.234 78 HG2 GLU 12 1HG GLU 12 4.201 2.357 11.405 79 HG3 GLU 12 2HG GLU 12 5.783 2.012 10.710 80 H LEU 13 H LEU 13 5.006 1.066 6.648 81 HA LEU 13 HA LEU 13 2.722 1.782 5.054 82 HB2 LEU 13 1HB LEU 13 5.059 2.161 4.412 83 HB3 LEU 13 2HB LEU 13 5.370 0.434 4.365 84 HG LEU 13 HG LEU 13 4.031 0.161 2.396 85 HD11 LEU 13 1HD1 LEU 13 3.277 3.090 2.717 86 HD12 LEU 13 2HD1 LEU 13 2.190 1.688 2.788 87 HD13 LEU 13 3HD1 LEU 13 2.974 2.126 1.264 88 HD21 LEU 13 1HD2 LEU 13 6.366 0.964 2.183 89 HD22 LEU 13 2HD2 LEU 13 5.789 2.654 2.240 90 HD23 LEU 13 3HD2 LEU 13 5.346 1.601 0.881 91 H VAL 14 H VAL 14 4.267 -1.254 6.023 92 HA VAL 14 HA VAL 14 2.774 -2.965 4.245 93 HB VAL 14 HB VAL 14 4.339 -3.582 6.799 94 HG11 VAL 14 1HG1 VAL 14 4.372 -5.927 5.926 95 HG12 VAL 14 2HG1 VAL 14 2.747 -5.386 6.396 96 HG13 VAL 14 3HG1 VAL 14 3.201 -5.446 4.681 97 HG21 VAL 14 1HG2 VAL 14 6.096 -4.364 5.209 98 HG22 VAL 14 2HG2 VAL 14 5.083 -3.831 3.848 99 HG23 VAL 14 3HG2 VAL 14 5.740 -2.635 4.985 100 H ASP 15 H ASP 15 2.403 -1.874 7.611 101 HA ASP 15 HA ASP 15 0.094 -3.394 8.322 102 HB2 ASP 15 1HB ASP 15 1.483 -2.021 9.875 103 HB3 ASP 15 2HB ASP 15 0.919 -0.552 9.078 104 H THR 16 H THR 16 0.430 -0.174 6.762 105 HA THR 16 HA THR 16 -2.369 0.212 6.390 106 HB THR 16 HB THR 16 -0.110 1.334 4.687 107 HG1 THR 16 1HG THR 16 0.172 1.702 6.946 108 HG21 THR 16 1HG2 THR 16 -1.698 3.262 4.460 109 HG22 THR 16 2HG2 THR 16 -2.937 2.303 5.295 110 HG23 THR 16 3HG2 THR 16 -2.307 1.784 3.711 111 H LEU 17 H LEU 17 0.102 -1.350 4.287 112 HA LEU 17 HA LEU 17 -1.618 -1.653 2.019 113 HB2 LEU 17 1HB LEU 17 0.809 -3.118 3.053 114 HB3 LEU 17 2HB LEU 17 -0.074 -3.758 1.668 115 HG LEU 17 HG LEU 17 0.878 -0.890 1.648 116 HD11 LEU 17 1HD1 LEU 17 2.852 -2.172 2.226 117 HD12 LEU 17 2HD1 LEU 17 2.958 -1.645 0.542 118 HD13 LEU 17 3HD1 LEU 17 2.530 -3.327 0.913 119 HD21 LEU 17 1HD2 LEU 17 0.549 -2.936 -0.594 120 HD22 LEU 17 2HD2 LEU 17 0.864 -1.198 -0.759 121 HD23 LEU 17 3HD2 LEU 17 -0.694 -1.753 -0.129 122 H GLN 18 H GLN 18 -1.125 -3.667 4.950 123 HA GLN 18 HA GLN 18 -2.912 -5.759 4.068 124 HB2 GLN 18 1HB GLN 18 -1.961 -4.893 6.817 125 HB3 GLN 18 2HB GLN 18 -2.999 -6.298 6.525 126 HG2 GLN 18 1HG GLN 18 -1.280 -7.310 5.099 127 HG3 GLN 18 2HG GLN 18 -0.235 -5.910 5.319 128 HE21 GLN 18 1HE2 GLN 18 1.172 -8.230 7.660 129 HE22 GLN 18 2HE2 GLN 18 1.182 -7.797 5.966 130 H PHE 19 H PHE 19 -3.400 -2.705 5.859 131 HA PHE 19 HA PHE 19 -6.161 -3.202 6.489 132 HB2 PHE 19 1HB PHE 19 -4.816 -1.464 7.567 133 HB3 PHE 19 2HB PHE 19 -4.663 -0.601 6.035 134 HD1 PHE 19 1HD PHE 19 -7.014 -1.547 8.743 135 HD2 PHE 19 2HD PHE 19 -6.463 0.769 5.159 136 HE1 PHE 19 1HE PHE 19 -9.126 -0.308 9.213 137 HE2 PHE 19 2HE PHE 19 -8.569 1.998 5.613 138 HZ PHE 19 HZ PHE 19 -9.905 1.467 7.645 139 H VAL 20 H VAL 20 -4.662 -1.419 3.746 140 HA VAL 20 HA VAL 20 -7.219 -0.735 2.592 141 HB VAL 20 HB VAL 20 -4.401 -0.687 1.394 142 HG11 VAL 20 1HG1 VAL 20 -6.038 -0.690 -0.430 143 HG12 VAL 20 2HG1 VAL 20 -6.995 0.578 0.375 144 HG13 VAL 20 3HG1 VAL 20 -5.365 0.943 -0.250 145 HG21 VAL 20 1HG2 VAL 20 -6.137 1.456 2.689 146 HG22 VAL 20 2HG2 VAL 20 -4.617 0.791 3.320 147 HG23 VAL 20 3HG2 VAL 20 -4.598 1.774 1.844 148 H CYS 21 H CYS 21 -4.833 -3.317 1.835 149 HA CYS 21 HA CYS 21 -6.504 -4.188 -0.416 150 HB2 CYS 21 1HB CYS 21 -4.037 -5.462 0.777 151 HB3 CYS 21 2HB CYS 21 -4.762 -5.817 -0.798 152 H GLY 22 H GLY 22 -6.126 -4.971 2.963 153 HA2 GLY 22 1HA GLY 22 -7.231 -6.508 4.259 154 HA3 GLY 22 2HA GLY 22 -8.393 -6.669 2.936 155 H ASP 23 H ASP 23 -8.646 -8.808 3.261 156 HA ASP 23 HA ASP 23 -6.601 -10.784 3.407 157 HB2 ASP 23 1HB ASP 23 -8.997 -10.959 4.116 158 HB3 ASP 23 2HB ASP 23 -9.467 -10.954 2.420 159 H ARG 24 H ARG 24 -7.379 -8.849 0.695 160 HA ARG 24 HA ARG 24 -7.049 -10.973 -1.290 161 HB2 ARG 24 1HB ARG 24 -6.851 -7.995 -1.731 162 HB3 ARG 24 2HB ARG 24 -7.154 -9.218 -2.957 163 HG2 ARG 24 1HG ARG 24 -9.098 -8.643 -0.666 164 HG3 ARG 24 2HG ARG 24 -9.164 -7.796 -2.208 165 HD2 ARG 24 1HD ARG 24 -10.800 -9.684 -2.072 166 HD3 ARG 24 2HD ARG 24 -9.645 -9.848 -3.403 167 HE ARG 24 HE ARG 24 -8.698 -11.707 -2.403 168 HH11 ARG 24 1HH1 ARG 24 -10.965 -10.305 -0.065 169 HH12 ARG 24 2HH1 ARG 24 -10.797 -11.675 1.014 170 HH21 ARG 24 1HH2 ARG 24 -8.586 -13.391 -0.965 171 HH22 ARG 24 2HH2 ARG 24 -9.488 -13.355 0.533 172 H GLY 25 H GLY 25 -4.917 -8.975 0.558 173 HA2 GLY 25 1HA GLY 25 -2.615 -9.274 0.700 174 HA3 GLY 25 2HA GLY 25 -2.660 -10.357 -0.710 175 H PHE 26 H PHE 26 -0.632 -8.778 -0.788 176 HA PHE 26 HA PHE 26 -1.233 -6.750 -2.844 177 HB2 PHE 26 1HB PHE 26 -0.116 -4.978 -1.594 178 HB3 PHE 26 2HB PHE 26 -1.487 -5.593 -0.660 179 HD1 PHE 26 1HD PHE 26 -1.167 -6.843 1.413 180 HD2 PHE 26 2HD PHE 26 2.204 -5.423 -0.863 181 HE1 PHE 26 1HE PHE 26 0.331 -7.345 3.334 182 HE2 PHE 26 2HE PHE 26 3.713 -5.924 1.056 183 HZ PHE 26 HZ PHE 26 2.783 -6.902 3.151 184 H TYR 27 H TYR 27 0.866 -5.807 -3.652 185 HA TYR 27 HA TYR 27 3.151 -7.706 -3.178 186 HB2 TYR 27 1HB TYR 27 2.374 -6.354 -5.785 187 HB3 TYR 27 2HB TYR 27 3.800 -7.363 -5.525 188 HD1 TYR 27 1HD TYR 27 3.057 -9.761 -4.262 189 HD2 TYR 27 2HD TYR 27 0.627 -7.434 -6.951 190 HE1 TYR 27 1HE TYR 27 1.713 -11.783 -4.813 191 HE2 TYR 27 2HE TYR 27 -0.700 -9.472 -7.495 192 HH TYR 27 HH TYR 27 -0.057 -12.640 -6.001 193 H PHE 28 H PHE 28 5.163 -6.750 -2.980 194 HA PHE 28 HA PHE 28 5.045 -3.834 -2.434 195 HB2 PHE 28 1HB PHE 28 5.891 -5.783 -0.823 196 HB3 PHE 28 2HB PHE 28 7.392 -5.577 -1.726 197 HD1 PHE 28 1HD PHE 28 8.726 -3.497 -1.476 198 HD2 PHE 28 2HD PHE 28 4.992 -4.024 0.609 199 HE1 PHE 28 1HE PHE 28 9.291 -1.581 0.009 200 HE2 PHE 28 2HE PHE 28 5.543 -2.106 2.097 201 HZ PHE 28 HZ PHE 28 7.708 -0.886 1.811 202 H SER 29 H SER 29 6.549 -2.403 -3.362 203 HA SER 29 HA SER 29 8.395 -3.562 -5.401 204 HB2 SER 29 1HB SER 29 6.431 -2.705 -6.612 205 HB3 SER 29 2HB SER 29 6.607 -1.142 -5.805 206 HG SER 29 HG SER 29 7.644 -0.945 -7.749 207 H ARG 30 H ARG 30 10.315 -2.455 -5.653 208 HA ARG 30 HA ARG 30 10.854 -0.226 -3.756 209 HB2 ARG 30 1HB ARG 30 11.327 -2.803 -3.079 210 HB3 ARG 30 2HB ARG 30 12.822 -2.492 -3.960 211 HG2 ARG 30 1HG ARG 30 11.989 -0.545 -1.860 212 HG3 ARG 30 2HG ARG 30 12.613 -2.128 -1.364 213 HD2 ARG 30 1HD ARG 30 14.613 -1.722 -2.834 214 HD3 ARG 30 2HD ARG 30 14.031 -0.057 -3.059 215 HE ARG 30 HE ARG 30 14.143 -0.667 -0.272 216 HH11 ARG 30 1HH1 ARG 30 16.283 0.040 -2.994 217 HH12 ARG 30 2HH1 ARG 30 17.553 0.645 -1.961 218 HH21 ARG 30 1HH2 ARG 30 15.810 0.131 0.995 219 HH22 ARG 30 2HH2 ARG 30 17.292 0.698 0.259 220 HA PRO 31 HA PRO 31 13.110 0.929 -7.412 221 HB2 PRO 31 1HB PRO 31 14.626 3.005 -6.497 222 HB3 PRO 31 2HB PRO 31 12.861 3.155 -6.748 223 HG2 PRO 31 1HG PRO 31 14.365 2.542 -4.203 224 HG3 PRO 31 2HG PRO 31 13.123 3.798 -4.495 225 HD2 PRO 31 1HD PRO 31 12.482 1.425 -3.388 226 HD3 PRO 31 2HD PRO 31 11.385 2.217 -4.568 227 H ALA 32 H ALA 32 15.027 0.392 -8.364 228 HA ALA 32 HA ALA 32 17.457 -0.028 -6.743 229 HB1 ALA 32 1HB ALA 32 17.790 -2.326 -7.535 230 HB2 ALA 32 2HB ALA 32 16.269 -2.226 -6.632 231 HB3 ALA 32 3HB ALA 32 16.245 -2.285 -8.410 232 H SER 33 H SER 33 16.219 1.609 -9.071 233 HA SER 33 HA SER 33 17.858 0.745 -11.377 234 HB2 SER 33 1HB SER 33 15.823 2.981 -10.999 235 HB3 SER 33 2HB SER 33 16.601 2.529 -12.517 236 HG SER 33 HG SER 33 15.610 0.518 -12.408 237 H ARG 34 H ARG 34 18.544 2.479 -8.782 238 HA ARG 34 HA ARG 34 20.052 4.004 -8.128 239 HB2 ARG 34 1HB ARG 34 21.374 2.753 -9.968 240 HB3 ARG 34 2HB ARG 34 21.138 4.207 -10.930 241 HG2 ARG 34 1HG ARG 34 22.105 4.740 -8.213 242 HG3 ARG 34 2HG ARG 34 23.191 3.708 -9.158 243 HD2 ARG 34 1HD ARG 34 23.063 5.407 -11.010 244 HD3 ARG 34 2HD ARG 34 22.179 6.469 -9.899 245 HE ARG 34 HE ARG 34 24.564 5.601 -8.618 246 HH11 ARG 34 1HH1 ARG 34 23.638 7.706 -11.306 247 HH12 ARG 34 2HH1 ARG 34 25.070 8.695 -11.144 248 HH21 ARG 34 1HH2 ARG 34 26.368 6.896 -8.486 249 HH22 ARG 34 2HH2 ARG 34 26.586 8.231 -9.584 250 H VAL 35 H VAL 35 18.224 4.861 -11.018 251 HA VAL 35 HA VAL 35 18.000 7.615 -9.890 252 HB VAL 35 HB VAL 35 17.757 8.452 -12.238 253 HG11 VAL 35 1HG1 VAL 35 20.114 8.448 -12.813 254 HG12 VAL 35 2HG1 VAL 35 19.946 8.555 -11.053 255 HG13 VAL 35 3HG1 VAL 35 20.396 7.013 -11.813 256 HG21 VAL 35 1HG2 VAL 35 18.486 7.067 -14.154 257 HG22 VAL 35 2HG2 VAL 35 18.708 5.668 -13.077 258 HG23 VAL 35 3HG2 VAL 35 17.085 6.343 -13.354 259 H SER 36 H SER 36 15.898 8.551 -10.131 260 HA SER 36 HA SER 36 13.785 6.690 -11.140 261 HB2 SER 36 1HB SER 36 13.726 8.271 -8.543 262 HB3 SER 36 2HB SER 36 12.377 7.344 -9.221 263 HG SER 36 HG SER 36 13.532 6.158 -7.642 264 H ARG 37 H ARG 37 12.920 7.741 -12.843 265 HA ARG 37 HA ARG 37 12.806 10.714 -12.786 266 HB2 ARG 37 1HB ARG 37 12.194 8.703 -14.985 267 HB3 ARG 37 2HB ARG 37 12.067 10.460 -15.157 268 HG2 ARG 37 1HG ARG 37 14.487 10.683 -14.640 269 HG3 ARG 37 2HG ARG 37 14.612 8.913 -14.564 270 HD2 ARG 37 1HD ARG 37 13.852 8.763 -16.938 271 HD3 ARG 37 2HD ARG 37 13.749 10.537 -16.994 272 HE ARG 37 HE ARG 37 16.358 9.882 -16.148 273 HH11 ARG 37 1HH1 ARG 37 14.432 9.480 -19.080 274 HH12 ARG 37 2HH1 ARG 37 15.840 9.515 -20.110 275 HH21 ARG 37 1HH2 ARG 37 18.110 9.924 -17.542 276 HH22 ARG 37 2HH2 ARG 37 17.870 9.738 -19.260 277 H ARG 38 H ARG 38 10.963 8.035 -12.005 278 HA ARG 38 HA ARG 38 8.554 9.627 -11.441 279 HB2 ARG 38 1HB ARG 38 8.548 7.141 -13.234 280 HB3 ARG 38 2HB ARG 38 7.123 7.713 -12.356 281 HG2 ARG 38 1HG ARG 38 7.195 9.848 -13.629 282 HG3 ARG 38 2HG ARG 38 8.607 9.242 -14.524 283 HD2 ARG 38 1HD ARG 38 7.268 7.349 -15.377 284 HD3 ARG 38 2HD ARG 38 5.851 7.964 -14.501 285 HE ARG 38 HE ARG 38 6.835 10.066 -16.123 286 HH11 ARG 38 1HH1 ARG 38 5.308 6.919 -16.598 287 HH12 ARG 38 2HH1 ARG 38 4.581 7.390 -18.116 288 HH21 ARG 38 1HH2 ARG 38 5.869 10.595 -18.058 289 HH22 ARG 38 2HH2 ARG 38 4.894 9.429 -18.914 290 H SER 39 H SER 39 7.352 8.191 -9.776 291 HA SER 39 HA SER 39 9.219 6.829 -8.082 292 HB2 SER 39 1HB SER 39 6.182 6.626 -8.124 293 HB3 SER 39 2HB SER 39 7.253 6.186 -6.778 294 HG SER 39 HG SER 39 6.447 8.249 -6.428 295 H ARG 40 H ARG 40 9.690 4.700 -7.840 296 HA ARG 40 HA ARG 40 8.738 2.914 -10.047 297 HB2 ARG 40 1HB ARG 40 11.131 3.245 -9.928 298 HB3 ARG 40 2HB ARG 40 11.153 2.892 -8.207 299 HG2 ARG 40 1HG ARG 40 12.080 1.053 -9.494 300 HG3 ARG 40 2HG ARG 40 10.614 0.562 -8.633 301 HD2 ARG 40 1HD ARG 40 9.304 0.883 -10.713 302 HD3 ARG 40 2HD ARG 40 10.809 1.272 -11.572 303 HE ARG 40 HE ARG 40 11.170 -1.197 -10.251 304 HH11 ARG 40 1HH1 ARG 40 9.190 0.040 -12.891 305 HH12 ARG 40 2HH1 ARG 40 9.083 -1.521 -13.662 306 HH21 ARG 40 1HH2 ARG 40 10.995 -3.148 -11.294 307 HH22 ARG 40 2HH2 ARG 40 10.092 -3.293 -12.772 308 H GLY 41 H GLY 41 8.635 3.298 -6.562 309 HA2 GLY 41 1HA GLY 41 6.912 0.932 -6.468 310 HA3 GLY 41 2HA GLY 41 8.405 0.813 -5.541 311 H ILE 42 H ILE 42 6.130 0.382 -4.295 312 HA ILE 42 HA ILE 42 4.646 2.522 -3.314 313 HB ILE 42 HB ILE 42 4.050 0.084 -3.191 314 HG12 ILE 42 1HG1 ILE 42 3.149 0.235 -0.757 315 HG13 ILE 42 2HG1 ILE 42 3.871 1.831 -0.746 316 HG21 ILE 42 1HG2 ILE 42 6.278 -0.721 -2.319 317 HG22 ILE 42 2HG2 ILE 42 5.839 -0.047 -0.729 318 HG23 ILE 42 3HG2 ILE 42 4.868 -1.351 -1.444 319 HD11 ILE 42 1HD1 ILE 42 1.549 0.804 -2.322 320 HD12 ILE 42 2HD1 ILE 42 1.715 2.294 -1.371 321 HD13 ILE 42 3HD1 ILE 42 2.497 2.173 -2.952 322 H VAL 43 H VAL 43 7.776 1.321 -2.038 323 HA VAL 43 HA VAL 43 7.555 2.901 0.363 324 HB VAL 43 HB VAL 43 9.079 0.899 0.102 325 HG11 VAL 43 1HG1 VAL 43 10.042 1.400 -2.108 326 HG12 VAL 43 2HG1 VAL 43 10.825 2.873 -1.461 327 HG13 VAL 43 3HG1 VAL 43 11.320 1.262 -0.886 328 HG21 VAL 43 1HG2 VAL 43 10.463 3.463 0.984 329 HG22 VAL 43 2HG2 VAL 43 9.312 2.521 1.959 330 HG23 VAL 43 3HG2 VAL 43 10.868 1.808 1.494 331 H GLU 44 H GLU 44 8.483 3.626 -2.920 332 HA GLU 44 HA GLU 44 10.002 5.999 -2.202 333 HB2 GLU 44 1HB GLU 44 9.684 4.382 -4.453 334 HB3 GLU 44 2HB GLU 44 8.993 5.947 -4.919 335 HG2 GLU 44 1HG GLU 44 11.056 7.075 -4.226 336 HG3 GLU 44 2HG GLU 44 11.733 5.518 -3.715 337 H GLU 45 H GLU 45 6.702 5.273 -3.307 338 HA GLU 45 HA GLU 45 6.096 8.122 -3.475 339 HB2 GLU 45 1HB GLU 45 3.817 7.332 -3.989 340 HB3 GLU 45 2HB GLU 45 5.061 6.596 -5.008 341 HG2 GLU 45 1HG GLU 45 5.035 4.624 -3.470 342 HG3 GLU 45 2HG GLU 45 3.620 5.333 -2.678 343 H CYS 46 H CYS 46 5.819 5.624 -0.988 344 HA CYS 46 HA CYS 46 4.132 7.482 0.604 345 HB2 CYS 46 1HB CYS 46 4.861 4.581 1.045 346 HB3 CYS 46 2HB CYS 46 3.862 5.551 2.129 347 H CYS 47 H CYS 47 7.472 6.398 0.581 348 HA CYS 47 HA CYS 47 7.732 7.566 3.337 349 HB2 CYS 47 1HB CYS 47 8.392 5.149 3.054 350 HB3 CYS 47 2HB CYS 47 9.700 5.686 1.985 351 H PHE 48 H PHE 48 9.178 7.519 0.038 352 HA PHE 48 HA PHE 48 10.996 9.728 0.782 353 HB2 PHE 48 1HB PHE 48 10.463 8.316 -1.837 354 HB3 PHE 48 2HB PHE 48 11.516 9.703 -1.699 355 HD1 PHE 48 1HD PHE 48 11.031 6.201 -0.473 356 HD2 PHE 48 2HD PHE 48 13.763 9.486 -1.026 357 HE1 PHE 48 1HE PHE 48 12.925 4.713 0.086 358 HE2 PHE 48 2HE PHE 48 15.668 8.003 -0.446 359 HZ PHE 48 HZ PHE 48 15.269 5.606 0.116 360 H ARG 49 H ARG 49 7.789 9.279 -0.337 361 HA ARG 49 HA ARG 49 7.397 12.223 -0.354 362 HB2 ARG 49 1HB ARG 49 6.681 10.321 -2.601 363 HB3 ARG 49 2HB ARG 49 5.655 11.712 -2.248 364 HG2 ARG 49 1HG ARG 49 8.008 12.976 -2.327 365 HG3 ARG 49 2HG ARG 49 8.374 11.639 -3.436 366 HD2 ARG 49 1HD ARG 49 6.448 12.229 -4.817 367 HD3 ARG 49 2HD ARG 49 5.916 13.420 -3.612 368 HE ARG 49 HE ARG 49 7.580 14.905 -4.273 369 HH11 ARG 49 1HH1 ARG 49 7.910 11.920 -6.109 370 HH12 ARG 49 2HH1 ARG 49 8.966 12.647 -7.283 371 HH21 ARG 49 1HH2 ARG 49 8.922 15.770 -5.784 372 HH22 ARG 49 2HH2 ARG 49 9.548 14.803 -7.091 373 H SER 50 H SER 50 4.796 12.446 -0.448 374 HA SER 50 HA SER 50 3.653 10.518 1.509 375 HB2 SER 50 1HB SER 50 1.782 12.193 1.537 376 HB3 SER 50 2HB SER 50 3.344 12.894 2.009 377 HG SER 50 HG SER 50 2.132 13.019 -0.566 378 H CYS 51 H CYS 51 1.657 9.415 0.944 379 HA CYS 51 HA CYS 51 1.059 9.371 -1.980 380 HB2 CYS 51 1HB CYS 51 0.807 6.922 -1.832 381 HB3 CYS 51 2HB CYS 51 2.446 7.453 -1.468 382 H ASP 52 H ASP 52 -1.024 8.363 -2.503 383 HA ASP 52 HA ASP 52 -3.085 9.317 -0.565 384 HB2 ASP 52 1HB ASP 52 -2.958 10.213 -2.934 385 HB3 ASP 52 2HB ASP 52 -3.395 8.601 -3.503 386 H LEU 53 H LEU 53 -5.040 8.063 -0.317 387 HA LEU 53 HA LEU 53 -4.674 5.296 0.206 388 HB2 LEU 53 1HB LEU 53 -6.416 6.742 1.204 389 HB3 LEU 53 2HB LEU 53 -7.188 6.914 -0.367 390 HG LEU 53 HG LEU 53 -7.667 4.448 -0.358 391 HD11 LEU 53 1HD1 LEU 53 -6.703 4.658 2.530 392 HD12 LEU 53 2HD1 LEU 53 -5.953 3.706 1.217 393 HD13 LEU 53 3HD1 LEU 53 -7.565 3.273 1.810 394 HD21 LEU 53 1HD2 LEU 53 -9.346 6.136 0.309 395 HD22 LEU 53 2HD2 LEU 53 -8.768 6.059 1.993 396 HD23 LEU 53 3HD2 LEU 53 -9.522 4.642 1.235 397 H ALA 54 H ALA 54 -6.112 6.992 -2.630 398 HA ALA 54 HA ALA 54 -7.019 4.538 -3.885 399 HB1 ALA 54 1HB ALA 54 -7.375 5.989 -5.863 400 HB2 ALA 54 2HB ALA 54 -8.015 6.747 -4.385 401 HB3 ALA 54 3HB ALA 54 -6.466 7.302 -5.068 402 H LEU 55 H LEU 55 -4.045 6.430 -4.001 403 HA LEU 55 HA LEU 55 -2.895 5.019 -6.232 404 HB2 LEU 55 1HB LEU 55 -1.977 7.131 -5.688 405 HB3 LEU 55 2HB LEU 55 -1.869 6.746 -3.974 406 HG LEU 55 HG LEU 55 -0.039 5.225 -4.368 407 HD11 LEU 55 1HD1 LEU 55 1.111 5.169 -6.590 408 HD12 LEU 55 2HD1 LEU 55 -0.301 5.998 -7.295 409 HD13 LEU 55 3HD1 LEU 55 -0.457 4.370 -6.586 410 HD21 LEU 55 1HD2 LEU 55 0.369 7.938 -5.665 411 HD22 LEU 55 2HD2 LEU 55 1.644 6.894 -4.990 412 HD23 LEU 55 3HD2 LEU 55 0.404 7.575 -3.923 413 H LEU 56 H LEU 56 -2.668 4.709 -2.661 414 HA LEU 56 HA LEU 56 -0.793 2.603 -2.668 415 HB2 LEU 56 1HB LEU 56 -1.668 4.111 -0.784 416 HB3 LEU 56 2HB LEU 56 -2.992 2.969 -0.591 417 HG LEU 56 HG LEU 56 -0.160 1.968 -0.517 418 HD11 LEU 56 1HD1 LEU 56 -0.111 3.944 0.901 419 HD12 LEU 56 2HD1 LEU 56 -0.041 2.478 1.896 420 HD13 LEU 56 3HD1 LEU 56 -1.562 3.395 1.767 421 HD21 LEU 56 1HD2 LEU 56 -1.941 0.310 -0.348 422 HD22 LEU 56 2HD2 LEU 56 -2.676 1.203 0.990 423 HD23 LEU 56 3HD2 LEU 56 -1.091 0.435 1.195 424 H GLU 57 H GLU 57 -4.294 2.610 -3.033 425 HA GLU 57 HA GLU 57 -4.808 -0.147 -2.679 426 HB2 GLU 57 1HB GLU 57 -6.417 1.801 -2.854 427 HB3 GLU 57 2HB GLU 57 -6.214 1.739 -4.601 428 HG2 GLU 57 1HG GLU 57 -7.137 -0.503 -4.679 429 HG3 GLU 57 2HG GLU 57 -7.217 -0.556 -2.912 430 HE2 GLU 57 HE2 GLU 57 -8.941 -0.171 -2.174 431 H THR 58 H THR 58 -3.291 1.500 -5.415 432 HA THR 58 HA THR 58 -4.034 -0.488 -7.361 433 HB THR 58 HB THR 58 -2.431 0.575 -8.840 434 HG1 THR 58 1HG THR 58 -1.578 2.084 -6.568 435 HG21 THR 58 1HG2 THR 58 -3.273 2.859 -8.795 436 HG22 THR 58 2HG2 THR 58 -3.733 2.705 -7.079 437 HG23 THR 58 3HG2 THR 58 -4.593 1.762 -8.310 438 H TYR 59 H TYR 59 -1.732 -0.591 -4.815 439 HA TYR 59 HA TYR 59 -0.019 -2.581 -6.199 440 HB2 TYR 59 1HB TYR 59 0.060 -1.279 -3.466 441 HB3 TYR 59 2HB TYR 59 1.150 -2.577 -3.938 442 HD1 TYR 59 1HD TYR 59 0.116 0.920 -4.798 443 HD2 TYR 59 2HD TYR 59 3.058 -2.178 -5.327 444 HE1 TYR 59 1HE TYR 59 1.635 2.547 -5.891 445 HE2 TYR 59 2HE TYR 59 4.583 -0.514 -6.400 446 HH TYR 59 HH TYR 59 3.768 2.951 -6.639 447 H CYS 60 H CYS 60 -2.994 -2.690 -4.752 448 HA CYS 60 HA CYS 60 -2.658 -5.055 -3.113 449 HB2 CYS 60 1HB CYS 60 -5.126 -3.951 -4.493 450 HB3 CYS 60 2HB CYS 60 -5.123 -5.201 -3.247 451 H ALA 61 H ALA 61 -3.273 -7.205 -3.618 452 HA ALA 61 HA ALA 61 -2.491 -7.959 -6.325 453 HB1 ALA 61 1HB ALA 61 -3.636 -9.632 -4.067 454 HB2 ALA 61 2HB ALA 61 -2.827 -10.252 -5.518 455 HB3 ALA 61 3HB ALA 61 -1.909 -9.295 -4.331 456 H THR 62 H THR 62 -3.827 -9.143 -7.823 457 HA THR 62 HA THR 62 -6.448 -8.077 -8.105 458 HB THR 62 HB THR 62 -6.643 -9.779 -9.968 459 HG1 THR 62 1HG THR 62 -5.113 -11.233 -8.732 460 HG21 THR 62 1HG2 THR 62 -5.584 -7.558 -10.379 461 HG22 THR 62 2HG2 THR 62 -4.865 -8.843 -11.378 462 HG23 THR 62 3HG2 THR 62 -4.006 -8.255 -9.947 463 HA PRO 63 HA PRO 63 -8.571 -10.982 -5.596 464 HB2 PRO 63 1HB PRO 63 -11.065 -11.019 -6.717 465 HB3 PRO 63 2HB PRO 63 -10.430 -9.595 -5.842 466 HG2 PRO 63 1HG PRO 63 -10.458 -10.135 -8.799 467 HG3 PRO 63 2HG PRO 63 -11.010 -8.670 -7.912 468 HD2 PRO 63 1HD PRO 63 -8.554 -8.806 -9.070 469 HD3 PRO 63 2HD PRO 63 -8.785 -7.962 -7.502 470 H ALA 64 H ALA 64 -9.647 -13.082 -5.607 471 HA ALA 64 HA ALA 64 -8.253 -14.947 -7.190 472 HB1 ALA 64 1HB ALA 64 -9.805 -16.614 -6.208 473 HB2 ALA 64 2HB ALA 64 -9.253 -15.454 -4.979 474 HB3 ALA 64 3HB ALA 64 -10.881 -15.296 -5.679 475 H LYS 65 H LYS 65 -8.961 -16.427 -8.773 476 HA LYS 65 HA LYS 65 -11.278 -15.544 -10.436 477 HB2 LYS 65 1HB LYS 65 -8.481 -16.277 -11.365 478 HB3 LYS 65 2HB LYS 65 -9.873 -16.018 -12.415 479 HG2 LYS 65 1HG LYS 65 -10.044 -13.701 -11.516 480 HG3 LYS 65 2HG LYS 65 -8.520 -13.972 -10.651 481 HD2 LYS 65 1HD LYS 65 -7.424 -14.493 -12.817 482 HD3 LYS 65 2HD LYS 65 -8.945 -14.120 -13.657 483 HE2 LYS 65 1HE LYS 65 -7.309 -12.223 -11.922 484 HE3 LYS 65 2HE LYS 65 -7.413 -12.189 -13.698 485 HZ1 LYS 65 1HZ LYS 65 -9.664 -11.735 -11.816 486 HZ2 LYS 65 2HZ LYS 65 -9.790 -11.757 -13.461 487 HZ3 LYS 65 3HZ LYS 65 -8.903 -10.577 -12.711 488 H SER 66 H SER 66 -12.187 -17.281 -11.703 489 HA SER 66 HA SER 66 -11.248 -20.014 -11.280 490 HB2 SER 66 1HB SER 66 -12.368 -19.389 -9.063 491 HB3 SER 66 2HB SER 66 -13.887 -19.248 -9.969 492 HG SER 66 HG SER 66 -12.246 -21.545 -9.630 493 H GLU 67 H GLU 67 -11.338 -19.709 -13.600 494 HA GLU 67 HA GLU 67 -14.004 -20.289 -14.728 495 HB2 GLU 67 1HB GLU 67 -13.840 -18.531 -16.447 496 HB3 GLU 67 2HB GLU 67 -13.910 -17.835 -14.827 497 HG2 GLU 67 1HG GLU 67 -11.272 -18.245 -16.366 498 HG3 GLU 67 2HG GLU 67 -12.204 -16.741 -16.393 Start of MODEL 9 1 HA ALA 1 HA ALA 1 -12.526 12.654 12.474 2 HB1 ALA 1 1HB ALA 1 -11.421 13.443 14.558 3 HB2 ALA 1 2HB ALA 1 -13.183 13.576 14.698 4 HB3 ALA 1 3HB ALA 1 -12.324 12.252 15.509 5 H TYR 2 H TYR 2 -11.235 11.573 11.222 6 HA TYR 2 HA TYR 2 -9.335 9.633 12.475 7 HB2 TYR 2 1HB TYR 2 -11.114 8.970 10.585 8 HB3 TYR 2 2HB TYR 2 -9.840 9.591 9.530 9 HD1 TYR 2 1HD TYR 2 -7.865 8.259 9.116 10 HD2 TYR 2 2HD TYR 2 -10.592 7.128 12.243 11 HE1 TYR 2 1HE TYR 2 -6.653 6.092 9.393 12 HE2 TYR 2 2HE TYR 2 -9.392 4.950 12.497 13 HH TYR 2 HH TYR 2 -7.676 3.618 11.751 14 H ARG 3 H ARG 3 -7.211 9.584 11.281 15 HA ARG 3 HA ARG 3 -6.446 12.386 10.637 16 HB2 ARG 3 1HB ARG 3 -4.262 11.846 11.498 17 HB3 ARG 3 2HB ARG 3 -5.467 11.398 12.702 18 HG2 ARG 3 1HG ARG 3 -5.235 9.027 12.072 19 HG3 ARG 3 2HG ARG 3 -4.071 9.472 10.806 20 HD2 ARG 3 1HD ARG 3 -2.600 10.472 12.553 21 HD3 ARG 3 2HD ARG 3 -3.734 9.902 13.791 22 HE ARG 3 HE ARG 3 -2.956 7.732 13.519 23 HH11 ARG 3 1HH1 ARG 3 -1.612 9.697 10.896 24 HH12 ARG 3 2HH1 ARG 3 -0.473 8.462 10.443 25 HH21 ARG 3 1HH2 ARG 3 -1.481 6.208 12.860 26 HH22 ARG 3 2HH2 ARG 3 -0.400 6.529 11.531 27 HA PRO 4 HA PRO 4 -5.278 10.973 6.655 28 HB2 PRO 4 1HB PRO 4 -3.227 12.623 5.939 29 HB3 PRO 4 2HB PRO 4 -4.908 13.218 6.125 30 HG2 PRO 4 1HG PRO 4 -2.644 13.313 8.098 31 HG3 PRO 4 2HG PRO 4 -3.718 14.639 7.551 32 HD2 PRO 4 1HD PRO 4 -4.170 13.296 9.852 33 HD3 PRO 4 2HD PRO 4 -5.530 13.839 8.816 34 H SER 5 H SER 5 -3.616 9.889 5.426 35 HA SER 5 HA SER 5 -1.348 8.823 7.058 36 HB2 SER 5 1HB SER 5 -3.325 7.279 7.054 37 HB3 SER 5 2HB SER 5 -3.217 7.199 5.284 38 HG SER 5 HG SER 5 -1.131 6.341 5.517 39 H GLU 6 H GLU 6 -0.828 10.852 5.388 40 HA GLU 6 HA GLU 6 -0.516 10.111 2.627 41 HB2 GLU 6 1HB GLU 6 0.863 12.311 4.202 42 HB3 GLU 6 2HB GLU 6 0.762 12.195 2.441 43 HG2 GLU 6 1HG GLU 6 -1.706 12.340 2.616 44 HG3 GLU 6 2HG GLU 6 -1.528 12.565 4.365 45 HE2 GLU 6 HE2 GLU 6 -2.054 14.023 1.745 46 H THR 7 H THR 7 1.662 10.072 5.413 47 HA THR 7 HA THR 7 3.662 8.616 3.727 48 HB THR 7 HB THR 7 5.410 9.625 5.306 49 HG1 THR 7 1HG THR 7 4.767 11.552 6.337 50 HG21 THR 7 1HG2 THR 7 5.594 11.733 4.067 51 HG22 THR 7 2HG2 THR 7 3.913 11.578 3.514 52 HG23 THR 7 3HG2 THR 7 5.147 10.410 2.969 53 H LEU 8 H LEU 8 4.685 6.934 4.705 54 HA LEU 8 HA LEU 8 3.615 6.111 7.379 55 HB2 LEU 8 1HB LEU 8 3.745 4.530 4.786 56 HB3 LEU 8 2HB LEU 8 3.641 3.771 6.356 57 HG LEU 8 HG LEU 8 1.555 3.565 5.498 58 HD11 LEU 8 1HD1 LEU 8 1.653 4.397 7.816 59 HD12 LEU 8 2HD1 LEU 8 0.133 4.751 6.996 60 HD13 LEU 8 3HD1 LEU 8 1.336 6.039 7.219 61 HD21 LEU 8 1HD2 LEU 8 1.391 6.496 4.790 62 HD22 LEU 8 2HD2 LEU 8 0.204 5.220 4.456 63 HD23 LEU 8 3HD2 LEU 8 1.779 5.194 3.643 64 H CYS 9 H CYS 9 5.380 3.937 5.442 65 HA CYS 9 HA CYS 9 7.489 3.087 5.424 66 HB2 CYS 9 1HB CYS 9 7.964 5.715 5.302 67 HB3 CYS 9 2HB CYS 9 8.713 5.395 6.868 68 H GLY 10 H GLY 10 9.480 2.699 7.054 69 HA2 GLY 10 1HA GLY 10 10.108 1.650 9.018 70 HA3 GLY 10 2HA GLY 10 9.000 2.760 9.833 71 H GLY 11 H GLY 11 7.855 0.426 7.449 72 HA2 GLY 11 1HA GLY 11 6.804 -1.649 7.823 73 HA3 GLY 11 2HA GLY 11 6.927 -1.408 9.565 74 H GLU 12 H GLU 12 5.742 1.445 9.113 75 HA GLU 12 HA GLU 12 3.009 0.780 9.647 76 HB2 GLU 12 1HB GLU 12 4.247 3.340 8.576 77 HB3 GLU 12 2HB GLU 12 2.607 3.193 9.157 78 HG2 GLU 12 1HG GLU 12 3.457 2.595 11.404 79 HG3 GLU 12 2HG GLU 12 5.111 2.818 10.807 80 H LEU 13 H LEU 13 4.783 1.318 6.682 81 HA LEU 13 HA LEU 13 2.626 1.784 4.913 82 HB2 LEU 13 1HB LEU 13 5.385 1.385 4.703 83 HB3 LEU 13 2HB LEU 13 4.703 0.008 3.837 84 HG LEU 13 HG LEU 13 4.209 2.922 3.272 85 HD11 LEU 13 1HD1 LEU 13 5.624 0.749 1.727 86 HD12 LEU 13 2HD1 LEU 13 6.407 2.078 2.619 87 HD13 LEU 13 3HD1 LEU 13 5.410 2.426 1.188 88 HD21 LEU 13 1HD2 LEU 13 2.945 2.246 1.310 89 HD22 LEU 13 2HD2 LEU 13 2.153 1.698 2.787 90 HD23 LEU 13 3HD2 LEU 13 3.081 0.546 1.805 91 H VAL 14 H VAL 14 4.060 -1.231 6.112 92 HA VAL 14 HA VAL 14 2.447 -2.972 4.483 93 HB VAL 14 HB VAL 14 3.952 -3.480 7.093 94 HG11 VAL 14 1HG1 VAL 14 3.771 -5.894 6.517 95 HG12 VAL 14 2HG1 VAL 14 2.190 -5.170 6.861 96 HG13 VAL 14 3HG1 VAL 14 2.673 -5.478 5.178 97 HG21 VAL 14 1HG2 VAL 14 5.627 -4.546 5.615 98 HG22 VAL 14 2HG2 VAL 14 4.642 -4.138 4.191 99 HG23 VAL 14 3HG2 VAL 14 5.390 -2.846 5.160 100 H ASP 15 H ASP 15 2.090 -1.558 7.754 101 HA ASP 15 HA ASP 15 -0.259 -2.977 8.501 102 HB2 ASP 15 1HB ASP 15 1.117 -1.504 9.986 103 HB3 ASP 15 2HB ASP 15 0.469 -0.097 9.139 104 H THR 16 H THR 16 0.091 0.178 6.773 105 HA THR 16 HA THR 16 -2.705 0.542 6.354 106 HB THR 16 HB THR 16 -0.503 1.454 4.455 107 HG1 THR 16 1HG THR 16 -1.303 2.402 7.004 108 HG21 THR 16 1HG2 THR 16 -2.001 3.443 4.245 109 HG22 THR 16 2HG2 THR 16 -3.202 2.624 5.269 110 HG23 THR 16 3HG2 THR 16 -2.777 1.948 3.678 111 H LEU 17 H LEU 17 -0.223 -1.151 4.396 112 HA LEU 17 HA LEU 17 -1.930 -1.651 2.149 113 HB2 LEU 17 1HB LEU 17 0.554 -2.957 3.241 114 HB3 LEU 17 2HB LEU 17 -0.291 -3.642 1.862 115 HG LEU 17 HG LEU 17 0.527 -0.747 1.808 116 HD11 LEU 17 1HD1 LEU 17 2.563 -1.891 2.431 117 HD12 LEU 17 2HD1 LEU 17 2.652 -1.428 0.724 118 HD13 LEU 17 3HD1 LEU 17 2.311 -3.119 1.165 119 HD21 LEU 17 1HD2 LEU 17 0.579 -1.100 -0.597 120 HD22 LEU 17 2HD2 LEU 17 -0.964 -1.710 0.029 121 HD23 LEU 17 3HD2 LEU 17 0.331 -2.850 -0.391 122 H GLN 18 H GLN 18 -1.426 -3.432 5.215 123 HA GLN 18 HA GLN 18 -3.074 -5.684 4.440 124 HB2 GLN 18 1HB GLN 18 -2.369 -4.569 7.174 125 HB3 GLN 18 2HB GLN 18 -3.186 -6.105 6.910 126 HG2 GLN 18 1HG GLN 18 -0.491 -5.564 5.659 127 HG3 GLN 18 2HG GLN 18 -0.617 -6.050 7.341 128 HE21 GLN 18 1HE2 GLN 18 -0.052 -9.159 5.706 129 HE22 GLN 18 2HE2 GLN 18 0.781 -7.748 6.297 130 H PHE 19 H PHE 19 -3.704 -2.564 6.075 131 HA PHE 19 HA PHE 19 -6.439 -3.098 6.729 132 HB2 PHE 19 1HB PHE 19 -5.060 -1.239 7.647 133 HB3 PHE 19 2HB PHE 19 -5.080 -0.458 6.063 134 HD1 PHE 19 1HD PHE 19 -7.159 -1.419 8.986 135 HD2 PHE 19 2HD PHE 19 -6.994 0.786 5.295 136 HE1 PHE 19 1HE PHE 19 -9.279 -0.257 9.592 137 HE2 PHE 19 2HE PHE 19 -9.114 1.955 5.889 138 HZ PHE 19 HZ PHE 19 -10.255 1.442 8.048 139 H VAL 20 H VAL 20 -4.892 -1.780 3.797 140 HA VAL 20 HA VAL 20 -7.456 -1.235 2.511 141 HB VAL 20 HB VAL 20 -4.572 -1.217 1.473 142 HG11 VAL 20 1HG1 VAL 20 -5.449 0.068 -0.473 143 HG12 VAL 20 2HG1 VAL 20 -6.047 -1.603 -0.445 144 HG13 VAL 20 3HG1 VAL 20 -7.112 -0.273 0.072 145 HG21 VAL 20 1HG2 VAL 20 -5.040 0.543 3.126 146 HG22 VAL 20 2HG2 VAL 20 -4.918 1.270 1.517 147 HG23 VAL 20 3HG2 VAL 20 -6.512 1.009 2.258 148 H CYS 21 H CYS 21 -4.956 -3.819 2.192 149 HA CYS 21 HA CYS 21 -6.952 -5.448 0.714 150 HB2 CYS 21 1HB CYS 21 -4.504 -4.187 -0.433 151 HB3 CYS 21 2HB CYS 21 -4.828 -5.850 -0.907 152 H GLY 22 H GLY 22 -5.681 -5.897 3.394 153 HA2 GLY 22 1HA GLY 22 -3.572 -7.779 3.119 154 HA3 GLY 22 2HA GLY 22 -4.697 -7.686 4.479 155 H ASP 23 H ASP 23 -7.099 -8.354 3.308 156 HA ASP 23 HA ASP 23 -7.004 -11.192 3.189 157 HB2 ASP 23 1HB ASP 23 -9.001 -9.928 3.832 158 HB3 ASP 23 2HB ASP 23 -9.083 -9.189 2.225 159 H ARG 24 H ARG 24 -7.270 -8.779 0.574 160 HA ARG 24 HA ARG 24 -7.452 -10.840 -1.476 161 HB2 ARG 24 1HB ARG 24 -7.166 -7.814 -1.583 162 HB3 ARG 24 2HB ARG 24 -7.475 -8.851 -2.988 163 HG2 ARG 24 1HG ARG 24 -9.584 -9.591 -2.049 164 HG3 ARG 24 2HG ARG 24 -9.292 -8.695 -0.550 165 HD2 ARG 24 1HD ARG 24 -9.437 -7.363 -3.246 166 HD3 ARG 24 2HD ARG 24 -10.853 -7.648 -2.220 167 HE ARG 24 HE ARG 24 -8.789 -6.302 -0.747 168 HH11 ARG 24 1HH1 ARG 24 -11.299 -5.704 -3.142 169 HH12 ARG 24 2HH1 ARG 24 -11.489 -4.034 -2.673 170 HH21 ARG 24 1HH2 ARG 24 -9.075 -4.131 -0.194 171 HH22 ARG 24 2HH2 ARG 24 -10.266 -3.182 -1.036 172 H GLY 25 H GLY 25 -4.887 -9.487 0.231 173 HA2 GLY 25 1HA GLY 25 -2.620 -9.869 -0.081 174 HA3 GLY 25 2HA GLY 25 -2.937 -10.508 -1.706 175 H PHE 26 H PHE 26 -0.849 -8.699 -1.023 176 HA PHE 26 HA PHE 26 -1.431 -6.604 -2.981 177 HB2 PHE 26 1HB PHE 26 -0.673 -4.776 -1.523 178 HB3 PHE 26 2HB PHE 26 -2.146 -5.513 -0.886 179 HD1 PHE 26 1HD PHE 26 1.563 -5.344 -0.436 180 HD2 PHE 26 2HD PHE 26 -2.212 -6.479 1.293 181 HE1 PHE 26 1HE PHE 26 2.681 -5.695 1.758 182 HE2 PHE 26 2HE PHE 26 -1.104 -6.807 3.501 183 HZ PHE 26 HZ PHE 26 1.348 -6.417 3.738 184 H TYR 27 H TYR 27 0.639 -5.516 -3.576 185 HA TYR 27 HA TYR 27 2.941 -7.328 -2.943 186 HB2 TYR 27 1HB TYR 27 2.138 -6.073 -5.570 187 HB3 TYR 27 2HB TYR 27 3.757 -6.729 -5.261 188 HD1 TYR 27 1HD TYR 27 4.038 -9.167 -4.647 189 HD2 TYR 27 2HD TYR 27 0.269 -7.585 -6.004 190 HE1 TYR 27 1HE TYR 27 3.225 -11.480 -5.102 191 HE2 TYR 27 2HE TYR 27 -0.522 -9.913 -6.464 192 HH TYR 27 HH TYR 27 -0.046 -12.153 -6.328 193 H PHE 28 H PHE 28 5.013 -6.524 -2.998 194 HA PHE 28 HA PHE 28 5.224 -3.598 -2.380 195 HB2 PHE 28 1HB PHE 28 5.447 -5.620 -0.552 196 HB3 PHE 28 2HB PHE 28 7.105 -5.597 -1.162 197 HD1 PHE 28 1HD PHE 28 4.528 -3.783 0.732 198 HD2 PHE 28 2HD PHE 28 8.566 -3.632 -0.745 199 HE1 PHE 28 1HE PHE 28 5.018 -1.896 2.283 200 HE2 PHE 28 2HE PHE 28 9.063 -1.733 0.787 201 HZ PHE 28 HZ PHE 28 7.289 -0.872 2.322 202 H SER 29 H SER 29 7.602 -2.911 -2.702 203 HA SER 29 HA SER 29 8.880 -4.498 -4.896 204 HB2 SER 29 1HB SER 29 7.842 -2.445 -5.806 205 HB3 SER 29 2HB SER 29 8.734 -1.475 -4.616 206 HG SER 29 HG SER 29 9.625 -1.764 -6.860 207 H ARG 30 H ARG 30 10.926 -5.062 -4.454 208 HA ARG 30 HA ARG 30 12.364 -3.669 -2.253 209 HB2 ARG 30 1HB ARG 30 10.855 -5.844 -1.760 210 HB3 ARG 30 2HB ARG 30 12.295 -6.669 -2.342 211 HG2 ARG 30 1HG ARG 30 12.712 -4.587 -0.262 212 HG3 ARG 30 2HG ARG 30 11.819 -6.038 0.223 213 HD2 ARG 30 1HD ARG 30 13.750 -7.338 -0.954 214 HD3 ARG 30 2HD ARG 30 14.654 -5.823 -0.775 215 HE ARG 30 HE ARG 30 13.438 -6.508 1.715 216 HH11 ARG 30 1HH1 ARG 30 16.072 -7.596 -0.370 217 HH12 ARG 30 2HH1 ARG 30 16.943 -8.320 0.956 218 HH21 ARG 30 1HH2 ARG 30 14.606 -7.450 3.358 219 HH22 ARG 30 2HH2 ARG 30 16.130 -8.229 3.033 220 HA PRO 31 HA PRO 31 15.496 -4.539 -5.284 221 HB2 PRO 31 1HB PRO 31 17.789 -3.936 -3.936 222 HB3 PRO 31 2HB PRO 31 16.640 -2.665 -4.469 223 HG2 PRO 31 1HG PRO 31 16.887 -3.985 -1.770 224 HG3 PRO 31 2HG PRO 31 16.814 -2.238 -2.166 225 HD2 PRO 31 1HD PRO 31 14.618 -3.631 -1.376 226 HD3 PRO 31 2HD PRO 31 14.514 -2.315 -2.595 227 H ALA 32 H ALA 32 16.834 -6.241 -5.859 228 HA ALA 32 HA ALA 32 17.361 -8.319 -3.773 229 HB1 ALA 32 1HB ALA 32 16.964 -10.016 -5.505 230 HB2 ALA 32 2HB ALA 32 15.530 -8.982 -5.323 231 HB3 ALA 32 3HB ALA 32 16.630 -8.749 -6.705 232 H SER 33 H SER 33 18.910 -5.985 -5.243 233 HA SER 33 HA SER 33 21.413 -7.485 -5.499 234 HB2 SER 33 1HB SER 33 20.346 -7.620 -7.790 235 HB3 SER 33 2HB SER 33 20.361 -5.843 -7.842 236 HG SER 33 HG SER 33 22.423 -7.666 -8.142 237 H ARG 34 H ARG 34 23.224 -5.894 -5.824 238 HA ARG 34 HA ARG 34 22.904 -3.607 -4.070 239 HB2 ARG 34 1HB ARG 34 25.121 -4.450 -5.979 240 HB3 ARG 34 2HB ARG 34 25.248 -3.078 -4.878 241 HG2 ARG 34 1HG ARG 34 24.701 -5.884 -3.859 242 HG3 ARG 34 2HG ARG 34 26.340 -5.284 -4.168 243 HD2 ARG 34 1HD ARG 34 25.883 -3.354 -2.646 244 HD3 ARG 34 2HD ARG 34 24.320 -4.091 -2.233 245 HE ARG 34 HE ARG 34 26.290 -6.059 -1.822 246 HH11 ARG 34 1HH1 ARG 34 25.520 -2.906 -0.429 247 HH12 ARG 34 2HH1 ARG 34 26.219 -3.317 1.115 248 HH21 ARG 34 1HH2 ARG 34 27.158 -6.509 0.175 249 HH22 ARG 34 2HH2 ARG 34 27.125 -5.319 1.447 250 H VAL 35 H VAL 35 22.760 -4.071 -7.561 251 HA VAL 35 HA VAL 35 23.114 -1.212 -8.080 252 HB VAL 35 HB VAL 35 22.782 -1.822 -10.468 253 HG11 VAL 35 1HG1 VAL 35 24.817 -3.150 -10.737 254 HG12 VAL 35 2HG1 VAL 35 25.031 -1.994 -9.408 255 HG13 VAL 35 3HG1 VAL 35 24.720 -3.710 -9.054 256 HG21 VAL 35 1HG2 VAL 35 22.443 -4.696 -9.475 257 HG22 VAL 35 2HG2 VAL 35 21.146 -3.688 -10.151 258 HG23 VAL 35 3HG2 VAL 35 22.523 -4.164 -11.167 259 H SER 36 H SER 36 21.587 0.115 -9.184 260 HA SER 36 HA SER 36 18.747 -0.769 -8.966 261 HB2 SER 36 1HB SER 36 19.211 0.672 -7.024 262 HB3 SER 36 2HB SER 36 19.894 1.915 -8.095 263 HG SER 36 HG SER 36 17.648 2.223 -7.470 264 H ARG 37 H ARG 37 17.538 -0.211 -10.688 265 HA ARG 37 HA ARG 37 18.780 1.570 -12.752 266 HB2 ARG 37 1HB ARG 37 17.479 -1.151 -13.121 267 HB3 ARG 37 2HB ARG 37 17.700 -0.001 -14.450 268 HG2 ARG 37 1HG ARG 37 19.811 -0.677 -14.746 269 HG3 ARG 37 2HG ARG 37 20.210 -0.218 -13.088 270 HD2 ARG 37 1HD ARG 37 20.799 -2.481 -13.215 271 HD3 ARG 37 2HD ARG 37 19.230 -2.489 -12.383 272 HE ARG 37 HE ARG 37 18.721 -2.764 -15.145 273 HH11 ARG 37 1HH1 ARG 37 20.325 -4.656 -12.629 274 HH12 ARG 37 2HH1 ARG 37 19.997 -6.170 -13.428 275 HH21 ARG 37 1HH2 ARG 37 18.339 -4.738 -16.105 276 HH22 ARG 37 2HH2 ARG 37 18.894 -6.210 -15.359 277 H ARG 38 H ARG 38 17.120 2.515 -10.832 278 HA ARG 38 HA ARG 38 15.248 3.676 -10.443 279 HB2 ARG 38 1HB ARG 38 16.366 4.571 -12.651 280 HB3 ARG 38 2HB ARG 38 14.811 4.099 -13.356 281 HG2 ARG 38 1HG ARG 38 13.822 5.317 -11.289 282 HG3 ARG 38 2HG ARG 38 15.424 6.062 -11.178 283 HD2 ARG 38 1HD ARG 38 13.800 6.008 -13.725 284 HD3 ARG 38 2HD ARG 38 13.592 7.286 -12.520 285 HE ARG 38 HE ARG 38 15.881 6.897 -14.323 286 HH11 ARG 38 1HH1 ARG 38 14.676 8.646 -11.495 287 HH12 ARG 38 2HH1 ARG 38 15.874 9.901 -11.653 288 HH21 ARG 38 1HH2 ARG 38 17.382 8.536 -14.442 289 HH22 ARG 38 2HH2 ARG 38 17.379 9.832 -13.280 290 H SER 39 H SER 39 14.403 1.228 -10.118 291 HA SER 39 HA SER 39 11.929 0.748 -11.614 292 HB2 SER 39 1HB SER 39 11.573 -0.971 -9.804 293 HB3 SER 39 2HB SER 39 13.087 -1.174 -10.710 294 HG SER 39 HG SER 39 13.121 -1.242 -8.280 295 H ARG 40 H ARG 40 9.826 0.865 -10.620 296 HA ARG 40 HA ARG 40 9.548 3.136 -8.707 297 HB2 ARG 40 1HB ARG 40 8.284 3.121 -10.884 298 HB3 ARG 40 2HB ARG 40 7.506 1.619 -10.398 299 HG2 ARG 40 1HG ARG 40 5.913 3.350 -10.037 300 HG3 ARG 40 2HG ARG 40 6.480 2.868 -8.441 301 HD2 ARG 40 1HD ARG 40 6.353 5.246 -8.449 302 HD3 ARG 40 2HD ARG 40 8.076 4.835 -8.501 303 HE ARG 40 HE ARG 40 7.239 5.112 -11.163 304 HH11 ARG 40 1HH1 ARG 40 7.426 7.229 -8.331 305 HH12 ARG 40 2HH1 ARG 40 7.640 8.653 -9.318 306 HH21 ARG 40 1HH2 ARG 40 7.518 6.974 -12.335 307 HH22 ARG 40 2HH2 ARG 40 7.688 8.511 -11.539 308 H GLY 41 H GLY 41 8.160 2.806 -6.781 309 HA2 GLY 41 1HA GLY 41 7.184 0.135 -6.230 310 HA3 GLY 41 2HA GLY 41 8.623 0.540 -5.278 311 H ILE 42 H ILE 42 6.134 -0.020 -4.084 312 HA ILE 42 HA ILE 42 4.592 2.296 -3.554 313 HB ILE 42 HB ILE 42 3.789 -0.007 -3.091 314 HG12 ILE 42 1HG1 ILE 42 2.981 0.369 -0.686 315 HG13 ILE 42 2HG1 ILE 42 3.898 1.868 -0.715 316 HG21 ILE 42 1HG2 ILE 42 5.681 -0.078 -0.692 317 HG22 ILE 42 2HG2 ILE 42 4.553 -1.342 -1.219 318 HG23 ILE 42 3HG2 ILE 42 5.963 -0.958 -2.218 319 HD11 ILE 42 1HD1 ILE 42 1.653 2.404 -1.206 320 HD12 ILE 42 2HD1 ILE 42 2.531 2.535 -2.741 321 HD13 ILE 42 3HD1 ILE 42 1.525 1.102 -2.402 322 H VAL 43 H VAL 43 7.538 1.063 -1.945 323 HA VAL 43 HA VAL 43 7.450 2.923 0.215 324 HB VAL 43 HB VAL 43 8.862 0.843 0.151 325 HG11 VAL 43 1HG1 VAL 43 10.744 2.464 -1.623 326 HG12 VAL 43 2HG1 VAL 43 11.034 0.842 -0.962 327 HG13 VAL 43 3HG1 VAL 43 9.757 1.083 -2.166 328 HG21 VAL 43 1HG2 VAL 43 9.253 2.627 1.817 329 HG22 VAL 43 2HG2 VAL 43 10.755 1.786 1.380 330 HG23 VAL 43 3HG2 VAL 43 10.416 3.402 0.716 331 H GLU 44 H GLU 44 8.486 3.253 -3.138 332 HA GLU 44 HA GLU 44 9.990 5.668 -2.730 333 HB2 GLU 44 1HB GLU 44 9.393 3.952 -4.871 334 HB3 GLU 44 2HB GLU 44 8.725 5.534 -5.309 335 HG2 GLU 44 1HG GLU 44 10.936 6.544 -4.698 336 HG3 GLU 44 2HG GLU 44 11.561 4.901 -4.487 337 H GLU 45 H GLU 45 6.588 4.923 -2.964 338 HA GLU 45 HA GLU 45 5.989 7.782 -3.425 339 HB2 GLU 45 1HB GLU 45 4.115 5.406 -3.359 340 HB3 GLU 45 2HB GLU 45 3.723 7.061 -3.833 341 HG2 GLU 45 1HG GLU 45 5.538 5.107 -5.283 342 HG3 GLU 45 2HG GLU 45 3.989 5.751 -5.838 343 H CYS 46 H CYS 46 5.776 5.368 -0.831 344 HA CYS 46 HA CYS 46 4.211 7.383 0.743 345 HB2 CYS 46 1HB CYS 46 4.492 4.399 1.142 346 HB3 CYS 46 2HB CYS 46 3.553 5.487 2.164 347 H CYS 47 H CYS 47 7.352 6.699 0.406 348 HA CYS 47 HA CYS 47 7.873 7.305 3.281 349 HB2 CYS 47 1HB CYS 47 8.404 4.905 2.787 350 HB3 CYS 47 2HB CYS 47 9.572 5.450 1.584 351 H PHE 48 H PHE 48 9.508 7.063 0.066 352 HA PHE 48 HA PHE 48 11.257 9.309 0.654 353 HB2 PHE 48 1HB PHE 48 10.498 7.929 -1.946 354 HB3 PHE 48 2HB PHE 48 11.696 9.215 -1.828 355 HD1 PHE 48 1HD PHE 48 10.994 5.681 -1.091 356 HD2 PHE 48 2HD PHE 48 13.868 8.850 -0.755 357 HE1 PHE 48 1HE PHE 48 12.744 4.009 -0.629 358 HE2 PHE 48 2HE PHE 48 15.646 7.182 -0.243 359 HZ PHE 48 HZ PHE 48 15.091 4.748 -0.187 360 H ARG 49 H ARG 49 8.052 8.911 -0.611 361 HA ARG 49 HA ARG 49 7.758 11.864 -0.834 362 HB2 ARG 49 1HB ARG 49 6.757 9.792 -2.838 363 HB3 ARG 49 2HB ARG 49 6.270 11.491 -2.818 364 HG2 ARG 49 1HG ARG 49 8.613 12.158 -3.141 365 HG3 ARG 49 2HG ARG 49 9.072 10.450 -3.259 366 HD2 ARG 49 1HD ARG 49 7.587 10.186 -5.208 367 HD3 ARG 49 2HD ARG 49 7.142 11.901 -5.098 368 HE ARG 49 HE ARG 49 9.675 10.771 -6.057 369 HH11 ARG 49 1HH1 ARG 49 8.053 13.724 -4.993 370 HH12 ARG 49 2HH1 ARG 49 9.231 14.755 -5.757 371 HH21 ARG 49 1HH2 ARG 49 11.141 12.158 -6.997 372 HH22 ARG 49 2HH2 ARG 49 10.941 13.882 -6.866 373 H SER 50 H SER 50 5.206 12.170 -1.162 374 HA SER 50 HA SER 50 3.860 10.606 0.982 375 HB2 SER 50 1HB SER 50 2.155 12.443 0.771 376 HB3 SER 50 2HB SER 50 3.772 13.031 1.224 377 HG SER 50 HG SER 50 2.535 13.117 -1.330 378 H CYS 51 H CYS 51 1.798 9.686 0.578 379 HA CYS 51 HA CYS 51 1.007 9.398 -2.285 380 HB2 CYS 51 1HB CYS 51 0.642 6.997 -1.917 381 HB3 CYS 51 2HB CYS 51 2.332 7.431 -1.686 382 H ASP 52 H ASP 52 -1.210 7.985 -2.123 383 HA ASP 52 HA ASP 52 -2.878 9.045 0.088 384 HB2 ASP 52 1HB ASP 52 -2.862 10.435 -2.209 385 HB3 ASP 52 2HB ASP 52 -3.973 9.156 -2.706 386 H LEU 53 H LEU 53 -5.085 7.956 -0.058 387 HA LEU 53 HA LEU 53 -4.748 5.131 0.020 388 HB2 LEU 53 1HB LEU 53 -6.488 6.397 1.224 389 HB3 LEU 53 2HB LEU 53 -7.231 6.855 -0.303 390 HG LEU 53 HG LEU 53 -7.826 4.489 -0.731 391 HD11 LEU 53 1HD1 LEU 53 -6.108 3.328 0.535 392 HD12 LEU 53 2HD1 LEU 53 -7.704 2.874 1.157 393 HD13 LEU 53 3HD1 LEU 53 -6.702 4.036 2.058 394 HD21 LEU 53 1HD2 LEU 53 -9.401 6.043 0.352 395 HD22 LEU 53 2HD2 LEU 53 -8.762 5.585 1.950 396 HD23 LEU 53 3HD2 LEU 53 -9.613 4.384 0.948 397 H ALA 54 H ALA 54 -6.029 7.253 -2.554 398 HA ALA 54 HA ALA 54 -7.039 5.148 -4.206 399 HB1 ALA 54 1HB ALA 54 -7.626 7.528 -4.537 400 HB2 ALA 54 2HB ALA 54 -5.944 7.891 -4.996 401 HB3 ALA 54 3HB ALA 54 -6.941 6.833 -6.024 402 H LEU 55 H LEU 55 -3.832 6.690 -4.053 403 HA LEU 55 HA LEU 55 -2.735 5.152 -6.241 404 HB2 LEU 55 1HB LEU 55 -1.679 7.190 -5.729 405 HB3 LEU 55 2HB LEU 55 -1.679 6.868 -4.005 406 HG LEU 55 HG LEU 55 0.124 5.300 -4.202 407 HD11 LEU 55 1HD1 LEU 55 -0.099 5.745 -7.193 408 HD12 LEU 55 2HD1 LEU 55 -0.149 4.213 -6.289 409 HD13 LEU 55 3HD1 LEU 55 1.367 5.109 -6.410 410 HD21 LEU 55 1HD2 LEU 55 1.844 6.864 -4.844 411 HD22 LEU 55 2HD2 LEU 55 0.539 7.720 -4.015 412 HD23 LEU 55 3HD2 LEU 55 0.680 7.824 -5.782 413 H LEU 56 H LEU 56 -2.697 4.863 -2.661 414 HA LEU 56 HA LEU 56 -0.928 2.666 -2.586 415 HB2 LEU 56 1HB LEU 56 -1.869 4.220 -0.740 416 HB3 LEU 56 2HB LEU 56 -3.178 3.044 -0.603 417 HG LEU 56 HG LEU 56 -0.362 2.031 -0.525 418 HD11 LEU 56 1HD1 LEU 56 -0.230 4.038 0.869 419 HD12 LEU 56 2HD1 LEU 56 -0.166 2.579 1.878 420 HD13 LEU 56 3HD1 LEU 56 -1.668 3.527 1.778 421 HD21 LEU 56 1HD2 LEU 56 -2.233 0.460 -0.301 422 HD22 LEU 56 2HD2 LEU 56 -2.847 1.383 1.086 423 HD23 LEU 56 3HD2 LEU 56 -1.297 0.541 1.202 424 H GLU 57 H GLU 57 -4.424 2.777 -3.110 425 HA GLU 57 HA GLU 57 -4.968 0.001 -2.861 426 HB2 GLU 57 1HB GLU 57 -6.593 1.934 -3.052 427 HB3 GLU 57 2HB GLU 57 -6.269 1.959 -4.786 428 HG2 GLU 57 1HG GLU 57 -7.127 -0.326 -5.001 429 HG3 GLU 57 2HG GLU 57 -7.365 -0.412 -3.253 430 HE2 GLU 57 HE2 GLU 57 -9.006 0.323 -2.481 431 H THR 58 H THR 58 -3.384 1.771 -5.489 432 HA THR 58 HA THR 58 -3.953 -0.211 -7.498 433 HB THR 58 HB THR 58 -2.354 0.927 -8.902 434 HG1 THR 58 1HG THR 58 -1.565 2.329 -6.539 435 HG21 THR 58 1HG2 THR 58 -3.240 3.203 -8.823 436 HG22 THR 58 2HG2 THR 58 -3.746 2.998 -7.133 437 HG23 THR 58 3HG2 THR 58 -4.549 2.072 -8.417 438 H TYR 59 H TYR 59 -1.802 -0.272 -4.840 439 HA TYR 59 HA TYR 59 -0.011 -2.250 -6.149 440 HB2 TYR 59 1HB TYR 59 0.034 -0.861 -3.456 441 HB3 TYR 59 2HB TYR 59 1.129 -2.183 -3.879 442 HD1 TYR 59 1HD TYR 59 0.238 1.351 -4.640 443 HD2 TYR 59 2HD TYR 59 2.929 -1.899 -5.487 444 HE1 TYR 59 1HE TYR 59 1.804 2.930 -5.772 445 HE2 TYR 59 2HE TYR 59 4.476 -0.310 -6.639 446 HH TYR 59 HH TYR 59 4.783 1.821 -7.384 447 H CYS 60 H CYS 60 -3.019 -2.406 -5.037 448 HA CYS 60 HA CYS 60 -2.964 -4.721 -3.279 449 HB2 CYS 60 1HB CYS 60 -4.903 -3.098 -3.687 450 HB3 CYS 60 2HB CYS 60 -5.105 -3.870 -5.261 451 H ALA 61 H ALA 61 -3.602 -6.922 -4.032 452 HA ALA 61 HA ALA 61 -2.154 -7.624 -6.464 453 HB1 ALA 61 1HB ALA 61 -2.833 -9.913 -5.870 454 HB2 ALA 61 2HB ALA 61 -2.142 -9.051 -4.469 455 HB3 ALA 61 3HB ALA 61 -3.906 -9.263 -4.612 456 H THR 62 H THR 62 -3.169 -9.053 -8.052 457 HA THR 62 HA THR 62 -4.559 -9.541 -9.739 458 HB THR 62 HB THR 62 -6.924 -9.685 -9.553 459 HG1 THR 62 1HG THR 62 -6.627 -7.711 -7.534 460 HG21 THR 62 1HG2 THR 62 -5.626 -11.174 -7.975 461 HG22 THR 62 2HG2 THR 62 -7.296 -10.837 -7.472 462 HG23 THR 62 3HG2 THR 62 -5.953 -9.991 -6.685 463 HA PRO 63 HA PRO 63 -4.535 -5.895 -11.944 464 HB2 PRO 63 1HB PRO 63 -5.985 -6.366 -14.205 465 HB3 PRO 63 2HB PRO 63 -4.393 -7.102 -13.876 466 HG2 PRO 63 1HG PRO 63 -7.147 -8.247 -13.455 467 HG3 PRO 63 2HG PRO 63 -5.732 -9.002 -14.253 468 HD2 PRO 63 1HD PRO 63 -6.396 -9.531 -11.675 469 HD3 PRO 63 2HD PRO 63 -4.684 -9.457 -12.213 470 H ALA 64 H ALA 64 -5.446 -4.002 -12.246 471 HA ALA 64 HA ALA 64 -7.949 -3.471 -10.948 472 HB1 ALA 64 1HB ALA 64 -6.086 -1.837 -11.014 473 HB2 ALA 64 2HB ALA 64 -6.272 -1.691 -12.781 474 HB3 ALA 64 3HB ALA 64 -7.573 -1.140 -11.699 475 H LYS 65 H LYS 65 -9.944 -3.160 -11.720 476 HA LYS 65 HA LYS 65 -11.751 -3.343 -13.110 477 HB2 LYS 65 1HB LYS 65 -10.522 -1.135 -13.726 478 HB3 LYS 65 2HB LYS 65 -10.121 -1.954 -15.238 479 HG2 LYS 65 1HG LYS 65 -12.583 -2.306 -15.628 480 HG3 LYS 65 2HG LYS 65 -12.912 -1.388 -14.145 481 HD2 LYS 65 1HD LYS 65 -11.734 0.566 -15.113 482 HD3 LYS 65 2HD LYS 65 -11.438 -0.361 -16.600 483 HE2 LYS 65 1HE LYS 65 -13.889 -0.617 -16.911 484 HE3 LYS 65 2HE LYS 65 -14.165 0.361 -15.453 485 HZ1 LYS 65 1HZ LYS 65 -14.314 1.696 -17.464 486 HZ2 LYS 65 2HZ LYS 65 -12.774 1.292 -17.902 487 HZ3 LYS 65 3HZ LYS 65 -13.034 2.201 -16.549 488 H SER 66 H SER 66 -10.138 -5.653 -13.156 489 HA SER 66 HA SER 66 -9.786 -7.591 -14.295 490 HB2 SER 66 1HB SER 66 -12.149 -6.690 -15.973 491 HB3 SER 66 2HB SER 66 -11.608 -8.357 -15.682 492 HG SER 66 HG SER 66 -13.300 -7.869 -14.289 493 H GLU 67 H GLU 67 -8.074 -5.579 -15.253 494 HA GLU 67 HA GLU 67 -8.007 -5.460 -18.113 495 HB2 GLU 67 1HB GLU 67 -6.702 -3.950 -16.573 496 HB3 GLU 67 2HB GLU 67 -5.668 -5.305 -16.139 497 HG2 GLU 67 1HG GLU 67 -4.968 -5.534 -18.551 498 HG3 GLU 67 2HG GLU 67 -5.951 -4.120 -18.950 Start of MODEL 10 1 HA ALA 1 HA ALA 1 -8.403 14.620 17.076 2 HB1 ALA 1 1HB ALA 1 -7.345 16.828 16.617 3 HB2 ALA 1 2HB ALA 1 -8.664 17.004 17.789 4 HB3 ALA 1 3HB ALA 1 -6.980 17.026 18.342 5 H TYR 2 H TYR 2 -6.783 14.376 15.563 6 HA TYR 2 HA TYR 2 -4.159 13.475 16.669 7 HB2 TYR 2 1HB TYR 2 -6.021 11.764 15.715 8 HB3 TYR 2 2HB TYR 2 -5.207 12.179 14.197 9 HD1 TYR 2 1HD TYR 2 -4.487 11.102 17.735 10 HD2 TYR 2 2HD TYR 2 -3.202 11.013 13.628 11 HE1 TYR 2 1HE TYR 2 -2.647 9.521 18.340 12 HE2 TYR 2 2HE TYR 2 -1.359 9.443 14.244 13 HH TYR 2 HH TYR 2 -0.383 8.217 15.911 14 H ARG 3 H ARG 3 -2.574 13.199 14.695 15 HA ARG 3 HA ARG 3 -2.753 15.726 13.112 16 HB2 ARG 3 1HB ARG 3 -0.266 15.639 13.099 17 HB3 ARG 3 2HB ARG 3 -0.942 15.839 14.708 18 HG2 ARG 3 1HG ARG 3 -0.473 13.006 14.032 19 HG3 ARG 3 2HG ARG 3 0.995 13.985 13.938 20 HD2 ARG 3 1HD ARG 3 -0.873 13.909 16.340 21 HD3 ARG 3 2HD ARG 3 0.618 12.964 16.190 22 HE ARG 3 HE ARG 3 1.875 15.084 16.106 23 HH11 ARG 3 1HH1 ARG 3 -1.397 15.271 17.455 24 HH12 ARG 3 2HH1 ARG 3 -1.046 16.736 18.326 25 HH21 ARG 3 1HH2 ARG 3 2.235 16.948 17.250 26 HH22 ARG 3 2HH2 ARG 3 0.973 17.658 18.217 27 HA PRO 4 HA PRO 4 -2.792 13.122 9.618 28 HB2 PRO 4 1HB PRO 4 -1.594 14.578 7.648 29 HB3 PRO 4 2HB PRO 4 -3.159 15.072 8.374 30 HG2 PRO 4 1HG PRO 4 -0.382 16.007 9.064 31 HG3 PRO 4 2HG PRO 4 -1.832 16.987 8.663 32 HD2 PRO 4 1HD PRO 4 -1.115 16.513 11.221 33 HD3 PRO 4 2HD PRO 4 -2.846 16.536 10.735 34 H SER 5 H SER 5 -1.551 11.812 8.153 35 HA SER 5 HA SER 5 1.395 11.813 8.471 36 HB2 SER 5 1HB SER 5 0.442 10.228 10.178 37 HB3 SER 5 2HB SER 5 -0.299 9.308 8.856 38 HG SER 5 HG SER 5 1.763 8.866 8.056 39 H GLU 6 H GLU 6 1.105 12.733 6.326 40 HA GLU 6 HA GLU 6 -0.241 11.209 4.251 41 HB2 GLU 6 1HB GLU 6 0.567 12.932 2.780 42 HB3 GLU 6 2HB GLU 6 -0.071 13.653 4.246 43 HG2 GLU 6 1HG GLU 6 2.877 13.173 4.179 44 HG3 GLU 6 2HG GLU 6 2.245 14.424 3.109 45 HE2 GLU 6 HE2 GLU 6 2.335 16.594 5.631 46 H THR 7 H THR 7 2.681 10.775 5.767 47 HA THR 7 HA THR 7 3.804 9.234 3.457 48 HB THR 7 HB THR 7 6.010 9.447 4.720 49 HG1 THR 7 1HG THR 7 4.974 10.093 6.721 50 HG21 THR 7 1HG2 THR 7 6.505 11.718 3.979 51 HG22 THR 7 2HG2 THR 7 4.775 12.093 3.868 52 HG23 THR 7 3HG2 THR 7 5.496 10.896 2.770 53 H LEU 8 H LEU 8 4.595 7.206 3.905 54 HA LEU 8 HA LEU 8 4.015 6.068 6.608 55 HB2 LEU 8 1HB LEU 8 3.014 5.191 3.915 56 HB3 LEU 8 2HB LEU 8 3.317 4.013 5.166 57 HG LEU 8 HG LEU 8 1.418 6.294 5.503 58 HD11 LEU 8 1HD1 LEU 8 -0.329 4.661 5.046 59 HD12 LEU 8 2HD1 LEU 8 0.916 3.456 4.662 60 HD13 LEU 8 3HD1 LEU 8 0.736 4.911 3.651 61 HD21 LEU 8 1HD2 LEU 8 1.784 3.723 7.066 62 HD22 LEU 8 2HD2 LEU 8 0.495 4.914 7.332 63 HD23 LEU 8 3HD2 LEU 8 2.182 5.364 7.635 64 H CYS 9 H CYS 9 5.628 4.862 7.316 65 HA CYS 9 HA CYS 9 7.350 3.316 5.547 66 HB2 CYS 9 1HB CYS 9 8.085 5.899 5.637 67 HB3 CYS 9 2HB CYS 9 8.828 5.384 7.156 68 H GLY 10 H GLY 10 9.398 2.739 7.262 69 HA2 GLY 10 1HA GLY 10 9.943 1.716 9.256 70 HA3 GLY 10 2HA GLY 10 8.816 2.844 10.018 71 H GLY 11 H GLY 11 7.789 0.434 7.637 72 HA2 GLY 11 1HA GLY 11 6.729 -1.627 8.022 73 HA3 GLY 11 2HA GLY 11 6.834 -1.359 9.764 74 H GLU 12 H GLU 12 5.565 1.413 9.431 75 HA GLU 12 HA GLU 12 2.848 0.579 9.826 76 HB2 GLU 12 1HB GLU 12 3.971 3.317 9.128 77 HB3 GLU 12 2HB GLU 12 2.337 3.000 9.723 78 HG2 GLU 12 1HG GLU 12 3.286 2.092 11.819 79 HG3 GLU 12 2HG GLU 12 4.916 2.467 11.235 80 H LEU 13 H LEU 13 4.677 1.505 6.992 81 HA LEU 13 HA LEU 13 2.525 2.012 5.186 82 HB2 LEU 13 1HB LEU 13 4.892 2.460 4.677 83 HB3 LEU 13 2HB LEU 13 5.275 0.750 4.767 84 HG LEU 13 HG LEU 13 4.077 0.280 2.736 85 HD11 LEU 13 1HD1 LEU 13 3.265 3.205 2.746 86 HD12 LEU 13 2HD1 LEU 13 2.182 1.801 2.882 87 HD13 LEU 13 3HD1 LEU 13 3.058 2.101 1.378 88 HD21 LEU 13 1HD2 LEU 13 5.441 1.605 1.174 89 HD22 LEU 13 2HD2 LEU 13 6.387 1.098 2.588 90 HD23 LEU 13 3HD2 LEU 13 5.804 2.776 2.464 91 H VAL 14 H VAL 14 4.108 -0.999 6.303 92 HA VAL 14 HA VAL 14 2.741 -2.732 4.432 93 HB VAL 14 HB VAL 14 4.220 -3.363 7.033 94 HG11 VAL 14 1HG1 VAL 14 3.277 -5.185 4.801 95 HG12 VAL 14 2HG1 VAL 14 4.396 -5.672 6.094 96 HG13 VAL 14 3HG1 VAL 14 2.735 -5.199 6.493 97 HG21 VAL 14 1HG2 VAL 14 5.125 -3.501 4.122 98 HG22 VAL 14 2HG2 VAL 14 5.676 -2.314 5.332 99 HG23 VAL 14 3HG2 VAL 14 6.075 -4.031 5.528 100 H ASP 15 H ASP 15 2.189 -1.648 7.775 101 HA ASP 15 HA ASP 15 -0.022 -3.375 8.357 102 HB2 ASP 15 1HB ASP 15 1.211 -1.953 10.008 103 HB3 ASP 15 2HB ASP 15 0.477 -0.519 9.281 104 H THR 16 H THR 16 0.179 -0.097 6.915 105 HA THR 16 HA THR 16 -2.616 0.196 6.457 106 HB THR 16 HB THR 16 -0.343 1.354 4.784 107 HG1 THR 16 1HG THR 16 -0.188 1.749 7.091 108 HG21 THR 16 1HG2 THR 16 -3.217 2.238 5.298 109 HG22 THR 16 2HG2 THR 16 -2.515 1.728 3.742 110 HG23 THR 16 3HG2 THR 16 -1.985 3.238 4.503 111 H LEU 17 H LEU 17 -0.026 -1.264 4.432 112 HA LEU 17 HA LEU 17 -1.668 -1.681 2.126 113 HB2 LEU 17 1HB LEU 17 0.821 -2.975 3.218 114 HB3 LEU 17 2HB LEU 17 0.009 -3.677 1.828 115 HG LEU 17 HG LEU 17 0.757 -0.759 1.804 116 HD11 LEU 17 1HD1 LEU 17 2.808 -1.933 2.427 117 HD12 LEU 17 2HD1 LEU 17 2.901 -1.356 0.755 118 HD13 LEU 17 3HD1 LEU 17 2.587 -3.074 1.081 119 HD21 LEU 17 1HD2 LEU 17 0.643 -2.822 -0.437 120 HD22 LEU 17 2HD2 LEU 17 0.780 -1.059 -0.598 121 HD23 LEU 17 3HD2 LEU 17 -0.720 -1.779 0.014 122 H GLN 18 H GLN 18 -1.187 -3.647 5.095 123 HA GLN 18 HA GLN 18 -2.827 -5.836 4.152 124 HB2 GLN 18 1HB GLN 18 -2.075 -4.884 6.931 125 HB3 GLN 18 2HB GLN 18 -3.068 -6.314 6.637 126 HG2 GLN 18 1HG GLN 18 -1.274 -7.351 5.372 127 HG3 GLN 18 2HG GLN 18 -0.265 -5.914 5.579 128 HE21 GLN 18 1HE2 GLN 18 1.114 -7.138 8.481 129 HE22 GLN 18 2HE2 GLN 18 1.262 -6.244 6.983 130 H PHE 19 H PHE 19 -3.539 -2.820 5.965 131 HA PHE 19 HA PHE 19 -6.281 -3.501 6.469 132 HB2 PHE 19 1HB PHE 19 -5.043 -1.731 7.660 133 HB3 PHE 19 2HB PHE 19 -4.961 -0.778 6.176 134 HD1 PHE 19 1HD PHE 19 -7.276 -2.135 8.757 135 HD2 PHE 19 2HD PHE 19 -6.808 0.556 5.432 136 HE1 PHE 19 1HE PHE 19 -9.476 -1.097 9.294 137 HE2 PHE 19 2HE PHE 19 -9.007 1.596 5.955 138 HZ PHE 19 HZ PHE 19 -10.352 0.763 7.884 139 H VAL 20 H VAL 20 -4.780 -1.583 3.823 140 HA VAL 20 HA VAL 20 -7.324 -0.920 2.629 141 HB VAL 20 HB VAL 20 -4.482 -0.842 1.488 142 HG11 VAL 20 1HG1 VAL 20 -7.051 0.397 0.402 143 HG12 VAL 20 2HG1 VAL 20 -5.409 0.755 -0.193 144 HG13 VAL 20 3HG1 VAL 20 -6.081 -0.878 -0.372 145 HG21 VAL 20 1HG2 VAL 20 -4.786 0.654 3.414 146 HG22 VAL 20 2HG2 VAL 20 -4.690 1.613 1.927 147 HG23 VAL 20 3HG2 VAL 20 -6.264 1.316 2.702 148 H CYS 21 H CYS 21 -4.882 -3.466 1.923 149 HA CYS 21 HA CYS 21 -6.503 -4.325 -0.378 150 HB2 CYS 21 1HB CYS 21 -3.967 -5.522 0.761 151 HB3 CYS 21 2HB CYS 21 -4.663 -5.813 -0.842 152 H GLY 22 H GLY 22 -5.943 -5.338 2.949 153 HA2 GLY 22 1HA GLY 22 -6.948 -6.983 4.175 154 HA3 GLY 22 2HA GLY 22 -8.188 -7.067 2.918 155 H ASP 23 H ASP 23 -8.452 -9.187 2.990 156 HA ASP 23 HA ASP 23 -6.547 -11.254 3.028 157 HB2 ASP 23 1HB ASP 23 -8.990 -11.431 3.451 158 HB3 ASP 23 2HB ASP 23 -9.300 -11.145 1.733 159 H ARG 24 H ARG 24 -7.323 -9.135 0.372 160 HA ARG 24 HA ARG 24 -6.833 -11.017 -1.748 161 HB2 ARG 24 1HB ARG 24 -6.458 -8.006 -1.857 162 HB3 ARG 24 2HB ARG 24 -6.793 -9.097 -3.198 163 HG2 ARG 24 1HG ARG 24 -8.685 -8.285 -0.955 164 HG3 ARG 24 2HG ARG 24 -8.821 -7.888 -2.671 165 HD2 ARG 24 1HD ARG 24 -9.073 -10.657 -1.431 166 HD3 ARG 24 2HD ARG 24 -10.401 -9.653 -2.036 167 HE ARG 24 HE ARG 24 -8.724 -9.856 -4.204 168 HH11 ARG 24 1HH1 ARG 24 -10.134 -12.320 -2.085 169 HH12 ARG 24 2HH1 ARG 24 -10.243 -13.491 -3.370 170 HH21 ARG 24 1HH2 ARG 24 -8.904 -11.382 -5.777 171 HH22 ARG 24 2HH2 ARG 24 -9.547 -12.971 -5.434 172 H GLY 25 H GLY 25 -4.713 -9.226 0.349 173 HA2 GLY 25 1HA GLY 25 -2.401 -9.509 0.508 174 HA3 GLY 25 2HA GLY 25 -2.398 -10.412 -1.020 175 H PHE 26 H PHE 26 -0.412 -8.659 -0.796 176 HA PHE 26 HA PHE 26 -1.134 -6.537 -2.707 177 HB2 PHE 26 1HB PHE 26 -0.169 -4.766 -1.330 178 HB3 PHE 26 2HB PHE 26 -1.536 -5.520 -0.502 179 HD1 PHE 26 1HD PHE 26 2.169 -5.223 -0.542 180 HD2 PHE 26 2HD PHE 26 -1.268 -6.693 1.587 181 HE1 PHE 26 1HE PHE 26 3.599 -5.679 1.442 182 HE2 PHE 26 2HE PHE 26 0.164 -7.142 3.581 183 HZ PHE 26 HZ PHE 26 2.598 -6.648 3.499 184 H TYR 27 H TYR 27 0.844 -5.315 -3.396 185 HA TYR 27 HA TYR 27 3.217 -7.146 -3.383 186 HB2 TYR 27 1HB TYR 27 2.261 -5.132 -5.448 187 HB3 TYR 27 2HB TYR 27 3.807 -5.989 -5.516 188 HD1 TYR 27 1HD TYR 27 3.725 -8.602 -5.488 189 HD2 TYR 27 2HD TYR 27 0.321 -6.126 -6.408 190 HE1 TYR 27 1HE TYR 27 2.632 -10.525 -6.642 191 HE2 TYR 27 2HE TYR 27 -0.746 -8.050 -7.580 192 HH TYR 27 HH TYR 27 -0.563 -10.255 -8.189 193 H PHE 28 H PHE 28 5.302 -6.111 -3.487 194 HA PHE 28 HA PHE 28 5.341 -3.359 -2.338 195 HB2 PHE 28 1HB PHE 28 5.883 -5.502 -0.806 196 HB3 PHE 28 2HB PHE 28 7.472 -5.319 -1.561 197 HD1 PHE 28 1HD PHE 28 4.884 -3.640 0.530 198 HD2 PHE 28 2HD PHE 28 8.948 -3.503 -0.890 199 HE1 PHE 28 1HE PHE 28 5.383 -1.816 2.149 200 HE2 PHE 28 2HE PHE 28 9.453 -1.676 0.722 201 HZ PHE 28 HZ PHE 28 7.671 -0.826 2.244 202 H SER 29 H SER 29 7.811 -2.609 -2.541 203 HA SER 29 HA SER 29 8.201 -2.155 -5.251 204 HB2 SER 29 1HB SER 29 10.454 -2.070 -3.259 205 HB3 SER 29 2HB SER 29 10.089 -0.943 -4.586 206 HG SER 29 HG SER 29 9.509 -0.254 -2.385 207 H ARG 30 H ARG 30 9.424 -4.882 -3.469 208 HA ARG 30 HA ARG 30 10.675 -6.681 -3.986 209 HB2 ARG 30 1HB ARG 30 10.148 -7.781 -5.862 210 HB3 ARG 30 2HB ARG 30 8.936 -6.514 -5.929 211 HG2 ARG 30 1HG ARG 30 9.606 -6.338 -8.077 212 HG3 ARG 30 2HG ARG 30 10.905 -5.348 -7.408 213 HD2 ARG 30 1HD ARG 30 12.290 -6.733 -8.388 214 HD3 ARG 30 2HD ARG 30 11.909 -7.874 -7.105 215 HE ARG 30 HE ARG 30 9.945 -8.254 -9.041 216 HH11 ARG 30 1HH1 ARG 30 13.465 -8.478 -8.967 217 HH12 ARG 30 2HH1 ARG 30 13.506 -9.729 -10.186 218 HH21 ARG 30 1HH2 ARG 30 10.071 -9.860 -10.596 219 HH22 ARG 30 2HH2 ARG 30 11.618 -10.482 -11.097 220 HA PRO 31 HA PRO 31 14.748 -5.455 -4.359 221 HB2 PRO 31 1HB PRO 31 16.176 -7.715 -4.932 222 HB3 PRO 31 2HB PRO 31 15.359 -7.460 -3.357 223 HG2 PRO 31 1HG PRO 31 14.363 -8.966 -5.772 224 HG3 PRO 31 2HG PRO 31 14.469 -9.518 -4.066 225 HD2 PRO 31 1HD PRO 31 12.163 -8.565 -5.065 226 HD3 PRO 31 2HD PRO 31 12.680 -8.147 -3.394 227 H ALA 32 H ALA 32 16.297 -4.662 -5.736 228 HA ALA 32 HA ALA 32 16.093 -5.388 -8.621 229 HB1 ALA 32 1HB ALA 32 16.292 -2.553 -7.490 230 HB2 ALA 32 2HB ALA 32 16.186 -3.007 -9.208 231 HB3 ALA 32 3HB ALA 32 14.800 -3.283 -8.129 232 H SER 33 H SER 33 18.006 -4.159 -9.784 233 HA SER 33 HA SER 33 20.446 -5.250 -8.744 234 HB2 SER 33 1HB SER 33 20.041 -3.168 -10.923 235 HB3 SER 33 2HB SER 33 21.433 -4.261 -10.736 236 HG SER 33 HG SER 33 20.117 -5.988 -11.247 237 H ARG 34 H ARG 34 22.495 -3.853 -8.639 238 HA ARG 34 HA ARG 34 22.252 -1.901 -6.536 239 HB2 ARG 34 1HB ARG 34 24.475 -2.665 -8.463 240 HB3 ARG 34 2HB ARG 34 24.687 -1.394 -7.260 241 HG2 ARG 34 1HG ARG 34 23.928 -4.241 -6.511 242 HG3 ARG 34 2HG ARG 34 25.600 -3.665 -6.646 243 HD2 ARG 34 1HD ARG 34 24.848 -1.758 -5.044 244 HD3 ARG 34 2HD ARG 34 23.480 -2.814 -4.660 245 HE ARG 34 HE ARG 34 26.337 -3.224 -4.008 246 HH11 ARG 34 1HH1 ARG 34 23.096 -4.646 -3.950 247 HH12 ARG 34 2HH1 ARG 34 23.557 -5.852 -2.778 248 HH21 ARG 34 1HH2 ARG 34 26.835 -4.780 -2.519 249 HH22 ARG 34 2HH2 ARG 34 25.631 -5.919 -1.979 250 H VAL 35 H VAL 35 22.120 -1.626 -10.008 251 HA VAL 35 HA VAL 35 22.304 1.354 -9.831 252 HB VAL 35 HB VAL 35 23.332 1.247 -12.105 253 HG11 VAL 35 1HG1 VAL 35 25.557 0.496 -11.431 254 HG12 VAL 35 2HG1 VAL 35 24.784 1.339 -10.073 255 HG13 VAL 35 3HG1 VAL 35 24.877 -0.437 -10.079 256 HG21 VAL 35 1HG2 VAL 35 23.479 -1.765 -11.636 257 HG22 VAL 35 2HG2 VAL 35 22.304 -0.978 -12.712 258 HG23 VAL 35 3HG2 VAL 35 24.045 -0.874 -13.065 259 H SER 36 H SER 36 21.398 2.367 -11.871 260 HA SER 36 HA SER 36 19.484 2.900 -13.019 261 HB2 SER 36 1HB SER 36 19.068 1.359 -14.897 262 HB3 SER 36 2HB SER 36 20.789 1.684 -14.650 263 HG SER 36 HG SER 36 19.456 -0.593 -13.601 264 H ARG 37 H ARG 37 18.622 2.224 -10.566 265 HA ARG 37 HA ARG 37 16.609 0.109 -10.662 266 HB2 ARG 37 1HB ARG 37 17.269 2.210 -8.574 267 HB3 ARG 37 2HB ARG 37 16.193 0.829 -8.325 268 HG2 ARG 37 1HG ARG 37 17.916 -0.459 -7.747 269 HG3 ARG 37 2HG ARG 37 18.702 -0.194 -9.316 270 HD2 ARG 37 1HD ARG 37 20.125 0.413 -7.383 271 HD3 ARG 37 2HD ARG 37 19.844 1.758 -8.494 272 HE ARG 37 HE ARG 37 17.896 1.995 -6.502 273 HH11 ARG 37 1HH1 ARG 37 21.435 2.017 -6.601 274 HH12 ARG 37 2HH1 ARG 37 21.552 3.138 -5.266 275 HH21 ARG 37 1HH2 ARG 37 18.133 3.415 -4.803 276 HH22 ARG 37 2HH2 ARG 37 19.713 3.896 -4.254 277 H ARG 38 H ARG 38 15.903 1.756 -12.644 278 HA ARG 38 HA ARG 38 13.999 3.815 -11.737 279 HB2 ARG 38 1HB ARG 38 13.584 4.042 -14.200 280 HB3 ARG 38 2HB ARG 38 15.256 4.304 -13.700 281 HG2 ARG 38 1HG ARG 38 15.997 2.259 -14.617 282 HG3 ARG 38 2HG ARG 38 14.344 1.612 -14.737 283 HD2 ARG 38 1HD ARG 38 13.777 3.254 -16.399 284 HD3 ARG 38 2HD ARG 38 15.379 4.008 -16.246 285 HE ARG 38 HE ARG 38 15.727 1.260 -16.884 286 HH11 ARG 38 1HH1 ARG 38 14.548 4.196 -18.452 287 HH12 ARG 38 2HH1 ARG 38 14.982 3.635 -20.042 288 HH21 ARG 38 1HH2 ARG 38 16.254 0.607 -18.948 289 HH22 ARG 38 2HH2 ARG 38 15.937 1.637 -20.315 290 H SER 39 H SER 39 13.216 1.529 -10.610 291 HA SER 39 HA SER 39 10.932 0.447 -12.214 292 HB2 SER 39 1HB SER 39 10.893 -1.244 -10.314 293 HB3 SER 39 2HB SER 39 12.366 -1.275 -11.311 294 HG SER 39 HG SER 39 12.098 0.122 -8.843 295 H ARG 40 H ARG 40 8.817 0.337 -11.123 296 HA ARG 40 HA ARG 40 8.308 2.661 -9.413 297 HB2 ARG 40 1HB ARG 40 5.989 1.940 -9.411 298 HB3 ARG 40 2HB ARG 40 6.605 1.878 -11.065 299 HG2 ARG 40 1HG ARG 40 6.638 -0.508 -11.083 300 HG3 ARG 40 2HG ARG 40 6.519 -0.607 -9.320 301 HD2 ARG 40 1HD ARG 40 4.387 -1.209 -10.209 302 HD3 ARG 40 2HD ARG 40 4.234 0.376 -9.431 303 HE ARG 40 HE ARG 40 4.781 0.784 -12.188 304 HH11 ARG 40 1HH1 ARG 40 2.149 -0.420 -10.155 305 HH12 ARG 40 2HH1 ARG 40 0.927 0.022 -11.318 306 HH21 ARG 40 1HH2 ARG 40 3.160 1.322 -13.619 307 HH22 ARG 40 2HH2 ARG 40 1.491 0.985 -13.238 308 H GLY 41 H GLY 41 7.444 2.517 -7.213 309 HA2 GLY 41 1HA GLY 41 7.408 -0.068 -5.908 310 HA3 GLY 41 2HA GLY 41 8.800 0.919 -5.424 311 H ILE 42 H ILE 42 6.162 -0.027 -4.090 312 HA ILE 42 HA ILE 42 4.619 2.313 -3.572 313 HB ILE 42 HB ILE 42 3.755 0.020 -3.153 314 HG12 ILE 42 1HG1 ILE 42 2.871 0.378 -0.795 315 HG13 ILE 42 2HG1 ILE 42 3.862 1.826 -0.719 316 HG21 ILE 42 1HG2 ILE 42 5.633 -0.108 -0.752 317 HG22 ILE 42 2HG2 ILE 42 4.466 -1.340 -1.276 318 HG23 ILE 42 3HG2 ILE 42 5.883 -0.988 -2.279 319 HD11 ILE 42 1HD1 ILE 42 1.641 2.484 -1.280 320 HD12 ILE 42 2HD1 ILE 42 2.611 2.681 -2.749 321 HD13 ILE 42 3HD1 ILE 42 1.533 1.273 -2.571 322 H VAL 43 H VAL 43 7.596 1.056 -2.121 323 HA VAL 43 HA VAL 43 7.512 2.740 0.186 324 HB VAL 43 HB VAL 43 9.013 0.697 -0.153 325 HG11 VAL 43 1HG1 VAL 43 11.169 0.921 -1.213 326 HG12 VAL 43 2HG1 VAL 43 9.961 1.478 -2.395 327 HG13 VAL 43 3HG1 VAL 43 10.929 2.661 -1.493 328 HG21 VAL 43 1HG2 VAL 43 10.797 1.577 1.272 329 HG22 VAL 43 2HG2 VAL 43 10.356 3.243 0.833 330 HG23 VAL 43 3HG2 VAL 43 9.226 2.236 1.771 331 H GLU 44 H GLU 44 8.581 3.306 -3.151 332 HA GLU 44 HA GLU 44 9.928 5.772 -2.495 333 HB2 GLU 44 1HB GLU 44 9.519 4.111 -4.786 334 HB3 GLU 44 2HB GLU 44 9.091 5.782 -5.204 335 HG2 GLU 44 1HG GLU 44 11.216 6.585 -4.448 336 HG3 GLU 44 2HG GLU 44 11.645 4.995 -3.792 337 H GLU 45 H GLU 45 6.670 4.827 -3.455 338 HA GLU 45 HA GLU 45 5.813 7.539 -3.901 339 HB2 GLU 45 1HB GLU 45 4.206 5.049 -3.212 340 HB3 GLU 45 2HB GLU 45 3.526 6.590 -3.731 341 HG2 GLU 45 1HG GLU 45 5.291 4.742 -5.362 342 HG3 GLU 45 2HG GLU 45 3.566 5.044 -5.593 343 H CYS 46 H CYS 46 5.711 5.356 -1.048 344 HA CYS 46 HA CYS 46 4.239 7.487 0.404 345 HB2 CYS 46 1HB CYS 46 4.758 4.580 1.057 346 HB3 CYS 46 2HB CYS 46 3.851 5.701 2.073 347 H CYS 47 H CYS 47 7.470 6.083 0.480 348 HA CYS 47 HA CYS 47 7.836 7.260 3.211 349 HB2 CYS 47 1HB CYS 47 8.421 4.858 2.866 350 HB3 CYS 47 2HB CYS 47 9.642 5.356 1.688 351 H PHE 48 H PHE 48 9.300 7.134 -0.065 352 HA PHE 48 HA PHE 48 11.158 9.302 0.623 353 HB2 PHE 48 1HB PHE 48 10.501 7.882 -1.975 354 HB3 PHE 48 2HB PHE 48 11.672 9.191 -1.848 355 HD1 PHE 48 1HD PHE 48 10.964 5.689 -0.793 356 HD2 PHE 48 2HD PHE 48 13.858 8.862 -0.930 357 HE1 PHE 48 1HE PHE 48 12.741 4.074 -0.178 358 HE2 PHE 48 2HE PHE 48 15.650 7.256 -0.299 359 HZ PHE 48 HZ PHE 48 15.095 4.854 0.084 360 H ARG 49 H ARG 49 7.957 8.945 -0.673 361 HA ARG 49 HA ARG 49 7.751 11.907 -0.893 362 HB2 ARG 49 1HB ARG 49 6.659 9.881 -2.894 363 HB3 ARG 49 2HB ARG 49 6.236 11.596 -2.855 364 HG2 ARG 49 1HG ARG 49 8.753 12.033 -3.032 365 HG3 ARG 49 2HG ARG 49 8.880 10.337 -3.534 366 HD2 ARG 49 1HD ARG 49 8.291 10.918 -5.611 367 HD3 ARG 49 2HD ARG 49 6.740 11.536 -5.013 368 HE ARG 49 HE ARG 49 9.190 13.080 -5.582 369 HH11 ARG 49 1HH1 ARG 49 5.915 13.182 -4.255 370 HH12 ARG 49 2HH1 ARG 49 5.850 14.921 -4.312 371 HH21 ARG 49 1HH2 ARG 49 9.032 15.294 -5.614 372 HH22 ARG 49 2HH2 ARG 49 7.578 16.088 -5.079 373 H SER 50 H SER 50 5.238 12.323 -1.226 374 HA SER 50 HA SER 50 3.835 11.023 1.039 375 HB2 SER 50 1HB SER 50 3.773 13.492 0.812 376 HB3 SER 50 2HB SER 50 3.102 13.331 -0.821 377 HG SER 50 HG SER 50 1.271 12.320 0.124 378 H CYS 51 H CYS 51 1.805 9.893 0.710 379 HA CYS 51 HA CYS 51 1.054 9.440 -2.128 380 HB2 CYS 51 1HB CYS 51 0.969 7.058 -1.892 381 HB3 CYS 51 2HB CYS 51 2.581 7.606 -1.452 382 H ASP 52 H ASP 52 -1.030 8.404 -2.394 383 HA ASP 52 HA ASP 52 -2.920 9.306 -0.270 384 HB2 ASP 52 1HB ASP 52 -3.262 8.976 -3.276 385 HB3 ASP 52 2HB ASP 52 -4.532 9.492 -2.154 386 H LEU 53 H LEU 53 -4.932 8.110 -0.097 387 HA LEU 53 HA LEU 53 -4.611 5.317 0.235 388 HB2 LEU 53 1HB LEU 53 -6.320 6.677 1.373 389 HB3 LEU 53 2HB LEU 53 -7.114 6.997 -0.165 390 HG LEU 53 HG LEU 53 -7.707 4.602 -0.370 391 HD11 LEU 53 1HD1 LEU 53 -6.484 4.395 2.411 392 HD12 LEU 53 2HD1 LEU 53 -5.938 3.563 0.934 393 HD13 LEU 53 3HD1 LEU 53 -7.510 3.158 1.642 394 HD21 LEU 53 1HD2 LEU 53 -9.259 6.223 0.623 395 HD22 LEU 53 2HD2 LEU 53 -8.562 5.924 2.236 396 HD23 LEU 53 3HD2 LEU 53 -9.432 4.629 1.382 397 H ALA 54 H ALA 54 -6.138 7.141 -2.448 398 HA ALA 54 HA ALA 54 -7.081 4.869 -3.869 399 HB1 ALA 54 1HB ALA 54 -7.201 6.413 -5.807 400 HB2 ALA 54 2HB ALA 54 -7.836 7.179 -4.333 401 HB3 ALA 54 3HB ALA 54 -6.212 7.603 -4.928 402 H LEU 55 H LEU 55 -3.938 6.550 -3.946 403 HA LEU 55 HA LEU 55 -2.876 5.023 -6.152 404 HB2 LEU 55 1HB LEU 55 -1.830 7.074 -5.691 405 HB3 LEU 55 2HB LEU 55 -1.788 6.776 -3.963 406 HG LEU 55 HG LEU 55 0.027 5.203 -4.193 407 HD11 LEU 55 1HD1 LEU 55 -0.207 5.723 -7.173 408 HD12 LEU 55 2HD1 LEU 55 -0.272 4.162 -6.317 409 HD13 LEU 55 3HD1 LEU 55 1.249 5.055 -6.400 410 HD21 LEU 55 1HD2 LEU 55 0.499 7.795 -5.692 411 HD22 LEU 55 2HD2 LEU 55 1.723 6.816 -4.858 412 HD23 LEU 55 3HD2 LEU 55 0.442 7.597 -3.927 413 H LEU 56 H LEU 56 -2.678 4.753 -2.573 414 HA LEU 56 HA LEU 56 -0.884 2.572 -2.553 415 HB2 LEU 56 1HB LEU 56 -1.742 4.122 -0.680 416 HB3 LEU 56 2HB LEU 56 -3.069 2.978 -0.502 417 HG LEU 56 HG LEU 56 -0.262 1.928 -0.490 418 HD11 LEU 56 1HD1 LEU 56 -0.049 2.433 1.923 419 HD12 LEU 56 2HD1 LEU 56 -1.538 3.402 1.842 420 HD13 LEU 56 3HD1 LEU 56 -0.095 3.903 0.929 421 HD21 LEU 56 1HD2 LEU 56 -2.761 1.249 1.084 422 HD22 LEU 56 2HD2 LEU 56 -1.199 0.434 1.257 423 HD23 LEU 56 3HD2 LEU 56 -2.079 0.334 -0.275 424 H GLU 57 H GLU 57 -4.400 2.678 -2.877 425 HA GLU 57 HA GLU 57 -4.965 -0.081 -2.613 426 HB2 GLU 57 1HB GLU 57 -6.521 1.917 -2.700 427 HB3 GLU 57 2HB GLU 57 -6.342 1.898 -4.454 428 HG2 GLU 57 1HG GLU 57 -7.318 -0.342 -4.551 429 HG3 GLU 57 2HG GLU 57 -7.410 -0.392 -2.788 430 HE2 GLU 57 HE2 GLU 57 -10.621 0.517 -3.835 431 H THR 58 H THR 58 -3.474 1.639 -5.321 432 HA THR 58 HA THR 58 -4.161 -0.402 -7.263 433 HB THR 58 HB THR 58 -2.692 0.732 -8.800 434 HG1 THR 58 1HG THR 58 -1.774 2.218 -6.534 435 HG21 THR 58 1HG2 THR 58 -4.881 1.847 -8.124 436 HG22 THR 58 2HG2 THR 58 -3.647 2.947 -8.779 437 HG23 THR 58 3HG2 THR 58 -3.936 2.872 -7.032 438 H TYR 59 H TYR 59 -1.849 -0.322 -4.741 439 HA TYR 59 HA TYR 59 -0.032 -2.213 -6.140 440 HB2 TYR 59 1HB TYR 59 0.076 -0.727 -3.514 441 HB3 TYR 59 2HB TYR 59 1.129 -2.112 -3.822 442 HD1 TYR 59 1HD TYR 59 0.339 1.364 -4.919 443 HD2 TYR 59 2HD TYR 59 2.975 -2.008 -5.379 444 HE1 TYR 59 1HE TYR 59 1.959 2.791 -6.175 445 HE2 TYR 59 2HE TYR 59 4.585 -0.572 -6.646 446 HH TYR 59 HH TYR 59 3.995 2.891 -7.250 447 H CYS 60 H CYS 60 -2.973 -2.478 -4.690 448 HA CYS 60 HA CYS 60 -2.521 -4.820 -3.029 449 HB2 CYS 60 1HB CYS 60 -5.019 -3.825 -4.456 450 HB3 CYS 60 2HB CYS 60 -4.971 -5.114 -3.247 451 H ALA 61 H ALA 61 -3.218 -7.001 -3.594 452 HA ALA 61 HA ALA 61 -2.530 -7.613 -6.410 453 HB1 ALA 61 1HB ALA 61 -1.453 -8.950 -4.666 454 HB2 ALA 61 2HB ALA 61 -3.039 -9.394 -4.005 455 HB3 ALA 61 3HB ALA 61 -2.565 -9.970 -5.614 456 H THR 62 H THR 62 -3.837 -9.046 -7.606 457 HA THR 62 HA THR 62 -5.698 -9.749 -8.641 458 HB THR 62 HB THR 62 -7.592 -10.603 -7.490 459 HG1 THR 62 1HG THR 62 -6.937 -8.659 -5.534 460 HG21 THR 62 1HG2 THR 62 -6.672 -11.922 -5.712 461 HG22 THR 62 2HG2 THR 62 -5.426 -10.716 -5.353 462 HG23 THR 62 3HG2 THR 62 -5.353 -11.657 -6.864 463 HA PRO 63 HA PRO 63 -7.430 -6.126 -10.056 464 HB2 PRO 63 1HB PRO 63 -9.727 -6.807 -11.370 465 HB3 PRO 63 2HB PRO 63 -8.101 -7.296 -11.940 466 HG2 PRO 63 1HG PRO 63 -10.063 -8.860 -10.273 467 HG3 PRO 63 2HG PRO 63 -9.225 -9.355 -11.783 468 HD2 PRO 63 1HD PRO 63 -8.282 -10.075 -9.362 469 HD3 PRO 63 2HD PRO 63 -7.157 -9.603 -10.679 470 H ALA 64 H ALA 64 -8.920 -4.449 -9.844 471 HA ALA 64 HA ALA 64 -10.303 -4.341 -7.334 472 HB1 ALA 64 1HB ALA 64 -11.005 -2.087 -8.112 473 HB2 ALA 64 2HB ALA 64 -9.262 -2.352 -8.352 474 HB3 ALA 64 3HB ALA 64 -10.382 -2.457 -9.736 475 H LYS 65 H LYS 65 -12.011 -5.629 -7.047 476 HA LYS 65 HA LYS 65 -13.960 -6.201 -9.116 477 HB2 LYS 65 1HB LYS 65 -15.160 -7.381 -7.367 478 HB3 LYS 65 2HB LYS 65 -13.439 -7.762 -7.248 479 HG2 LYS 65 1HG LYS 65 -13.210 -6.151 -5.377 480 HG3 LYS 65 2HG LYS 65 -14.940 -5.770 -5.498 481 HD2 LYS 65 1HD LYS 65 -15.470 -8.149 -5.017 482 HD3 LYS 65 2HD LYS 65 -13.733 -8.474 -4.816 483 HE2 LYS 65 1HE LYS 65 -13.639 -6.794 -2.993 484 HE3 LYS 65 2HE LYS 65 -15.372 -6.469 -3.200 485 HZ1 LYS 65 1HZ LYS 65 -15.804 -8.780 -2.583 486 HZ2 LYS 65 2HZ LYS 65 -14.981 -8.002 -1.384 487 HZ3 LYS 65 3HZ LYS 65 -14.192 -9.061 -2.369 488 H SER 66 H SER 66 -16.235 -5.713 -8.945 489 HA SER 66 HA SER 66 -17.994 -4.263 -8.870 490 HB2 SER 66 1HB SER 66 -16.941 -3.668 -6.087 491 HB3 SER 66 2HB SER 66 -18.617 -3.519 -6.660 492 HG SER 66 HG SER 66 -18.507 -5.476 -5.679 493 H GLU 67 H GLU 67 -16.196 -2.977 -10.354 494 HA GLU 67 HA GLU 67 -15.582 -0.311 -9.431 495 HB2 GLU 67 1HB GLU 67 -15.839 -1.592 -12.189 496 HB3 GLU 67 2HB GLU 67 -15.543 0.138 -12.021 497 HG2 GLU 67 1HG GLU 67 -13.728 -1.750 -10.487 498 HG3 GLU 67 2HG GLU 67 -13.513 -1.599 -12.233 Start of MODEL 11 1 HA ALA 1 HA ALA 1 -3.584 10.759 20.143 2 HB1 ALA 1 1HB ALA 1 -2.555 10.043 22.942 3 HB2 ALA 1 2HB ALA 1 -1.935 11.346 21.917 4 HB3 ALA 1 3HB ALA 1 -3.590 11.429 22.547 5 H TYR 2 H TYR 2 -2.680 9.844 18.465 6 HA TYR 2 HA TYR 2 -0.359 8.051 18.936 7 HB2 TYR 2 1HB TYR 2 -2.498 6.917 18.090 8 HB3 TYR 2 2HB TYR 2 -2.276 7.832 16.595 9 HD1 TYR 2 1HD TYR 2 -0.806 7.021 14.923 10 HD2 TYR 2 2HD TYR 2 -0.599 5.402 18.889 11 HE1 TYR 2 1HE TYR 2 0.738 5.225 14.102 12 HE2 TYR 2 2HE TYR 2 0.948 3.604 18.077 13 HH TYR 2 HH TYR 2 1.901 3.334 14.642 14 H ARG 3 H ARG 3 1.178 8.163 17.087 15 HA ARG 3 HA ARG 3 1.611 10.952 16.432 16 HB2 ARG 3 1HB ARG 3 3.680 10.182 15.373 17 HB3 ARG 3 2HB ARG 3 3.501 9.522 16.995 18 HG2 ARG 3 1HG ARG 3 2.483 7.727 14.864 19 HG3 ARG 3 2HG ARG 3 4.209 8.089 14.753 20 HD2 ARG 3 1HD ARG 3 4.432 7.451 17.178 21 HD3 ARG 3 2HD ARG 3 2.737 6.913 17.135 22 HE ARG 3 HE ARG 3 4.132 5.695 14.971 23 HH11 ARG 3 1HH1 ARG 3 4.017 5.478 18.504 24 HH12 ARG 3 2HH1 ARG 3 4.548 3.817 18.501 25 HH21 ARG 3 1HH2 ARG 3 4.792 3.621 15.035 26 HH22 ARG 3 2HH2 ARG 3 4.985 2.778 16.560 27 HA PRO 4 HA PRO 4 -0.337 10.745 12.472 28 HB2 PRO 4 1HB PRO 4 0.600 12.979 11.250 29 HB3 PRO 4 2HB PRO 4 -0.500 13.075 12.660 30 HG2 PRO 4 1HG PRO 4 2.502 13.295 12.577 31 HG3 PRO 4 2HG PRO 4 1.320 14.384 13.367 32 HD2 PRO 4 1HD PRO 4 2.664 12.429 14.718 33 HD3 PRO 4 2HD PRO 4 0.986 12.918 15.148 34 H SER 5 H SER 5 0.115 10.363 10.230 35 HA SER 5 HA SER 5 2.974 9.768 9.588 36 HB2 SER 5 1HB SER 5 0.575 8.029 8.908 37 HB3 SER 5 2HB SER 5 2.280 7.692 8.528 38 HG SER 5 HG SER 5 2.697 7.428 10.688 39 H GLU 6 H GLU 6 2.749 11.953 8.506 40 HA GLU 6 HA GLU 6 1.015 12.139 6.175 41 HB2 GLU 6 1HB GLU 6 2.146 14.192 5.674 42 HB3 GLU 6 2HB GLU 6 1.844 14.131 7.414 43 HG2 GLU 6 1HG GLU 6 4.205 13.506 7.800 44 HG3 GLU 6 2HG GLU 6 4.502 13.556 6.055 45 HE2 GLU 6 HE2 GLU 6 3.942 16.945 8.018 46 H THR 7 H THR 7 4.004 10.635 6.851 47 HA THR 7 HA THR 7 4.249 9.787 4.013 48 HB THR 7 HB THR 7 6.764 9.533 4.540 49 HG1 THR 7 1HG THR 7 6.666 9.934 6.767 50 HG21 THR 7 1HG2 THR 7 7.326 11.849 3.960 51 HG22 THR 7 2HG2 THR 7 5.679 12.372 4.378 52 HG23 THR 7 3HG2 THR 7 5.947 11.276 3.000 53 H LEU 8 H LEU 8 5.026 7.550 4.022 54 HA LEU 8 HA LEU 8 4.469 6.168 6.617 55 HB2 LEU 8 1HB LEU 8 2.544 6.427 4.892 56 HB3 LEU 8 2HB LEU 8 3.446 5.294 3.918 57 HG LEU 8 HG LEU 8 3.260 3.636 5.754 58 HD11 LEU 8 1HD1 LEU 8 1.499 4.005 7.478 59 HD12 LEU 8 2HD1 LEU 8 1.398 5.710 6.979 60 HD13 LEU 8 3HD1 LEU 8 2.897 5.076 7.702 61 HD21 LEU 8 1HD2 LEU 8 0.969 3.122 5.198 62 HD22 LEU 8 2HD2 LEU 8 1.749 3.818 3.776 63 HD23 LEU 8 3HD2 LEU 8 0.639 4.808 4.757 64 H CYS 9 H CYS 9 5.905 4.577 7.051 65 HA CYS 9 HA CYS 9 7.472 3.401 4.823 66 HB2 CYS 9 1HB CYS 9 8.401 5.649 6.027 67 HB3 CYS 9 2HB CYS 9 9.048 4.438 7.134 68 H GLY 10 H GLY 10 9.010 1.693 5.678 69 HA2 GLY 10 1HA GLY 10 9.425 -0.168 6.971 70 HA3 GLY 10 2HA GLY 10 8.858 0.786 8.348 71 H GLY 11 H GLY 11 7.775 -0.804 9.407 72 HA2 GLY 11 1HA GLY 11 5.974 -2.620 8.110 73 HA3 GLY 11 2HA GLY 11 6.111 -2.327 9.850 74 H GLU 12 H GLU 12 5.582 0.676 9.243 75 HA GLU 12 HA GLU 12 2.734 0.524 9.687 76 HB2 GLU 12 1HB GLU 12 4.522 2.887 8.993 77 HB3 GLU 12 2HB GLU 12 2.860 3.002 9.586 78 HG2 GLU 12 1HG GLU 12 3.535 1.892 11.712 79 HG3 GLU 12 2HG GLU 12 5.193 1.751 11.119 80 H LEU 13 H LEU 13 4.801 0.870 6.855 81 HA LEU 13 HA LEU 13 2.677 1.676 5.051 82 HB2 LEU 13 1HB LEU 13 5.420 1.446 4.873 83 HB3 LEU 13 2HB LEU 13 4.883 0.049 3.945 84 HG LEU 13 HG LEU 13 4.164 2.936 3.425 85 HD11 LEU 13 1HD1 LEU 13 6.457 2.387 2.870 86 HD12 LEU 13 2HD1 LEU 13 5.512 2.628 1.389 87 HD13 LEU 13 3HD1 LEU 13 5.910 0.978 1.928 88 HD21 LEU 13 1HD2 LEU 13 2.288 1.544 2.777 89 HD22 LEU 13 2HD2 LEU 13 3.380 0.515 1.822 90 HD23 LEU 13 3HD2 LEU 13 3.118 2.214 1.366 91 H VAL 14 H VAL 14 4.171 -1.366 6.029 92 HA VAL 14 HA VAL 14 2.689 -3.060 4.267 93 HB VAL 14 HB VAL 14 4.000 -3.670 6.959 94 HG11 VAL 14 1HG1 VAL 14 3.054 -5.522 4.747 95 HG12 VAL 14 2HG1 VAL 14 4.071 -6.018 6.121 96 HG13 VAL 14 3HG1 VAL 14 2.422 -5.427 6.407 97 HG21 VAL 14 1HG2 VAL 14 5.043 -3.973 4.100 98 HG22 VAL 14 2HG2 VAL 14 5.598 -2.770 5.290 99 HG23 VAL 14 3HG2 VAL 14 5.893 -4.496 5.574 100 H ASP 15 H ASP 15 2.067 -1.875 7.579 101 HA ASP 15 HA ASP 15 -0.281 -3.407 8.095 102 HB2 ASP 15 1HB ASP 15 0.952 -2.092 9.787 103 HB3 ASP 15 2HB ASP 15 0.466 -0.594 8.982 104 H THR 16 H THR 16 0.092 -0.119 6.676 105 HA THR 16 HA THR 16 -2.697 0.266 6.221 106 HB THR 16 HB THR 16 -0.368 1.415 4.634 107 HG1 THR 16 1HG THR 16 -0.244 1.765 6.929 108 HG21 THR 16 1HG2 THR 16 -1.924 3.338 4.317 109 HG22 THR 16 2HG2 THR 16 -3.214 2.406 5.107 110 HG23 THR 16 3HG2 THR 16 -2.534 1.853 3.553 111 H LEU 17 H LEU 17 -0.173 -1.303 4.231 112 HA LEU 17 HA LEU 17 -1.825 -1.602 1.877 113 HB2 LEU 17 1HB LEU 17 0.596 -3.065 2.981 114 HB3 LEU 17 2HB LEU 17 -0.218 -3.635 1.534 115 HG LEU 17 HG LEU 17 0.689 -0.778 1.665 116 HD11 LEU 17 1HD1 LEU 17 2.481 -3.135 1.033 117 HD12 LEU 17 2HD1 LEU 17 2.670 -1.960 2.356 118 HD13 LEU 17 3HD1 LEU 17 2.861 -1.434 0.679 119 HD21 LEU 17 1HD2 LEU 17 -0.715 -1.649 -0.233 120 HD22 LEU 17 2HD2 LEU 17 0.605 -2.771 -0.633 121 HD23 LEU 17 3HD2 LEU 17 0.863 -1.013 -0.737 122 H GLN 18 H GLN 18 -1.363 -3.610 4.840 123 HA GLN 18 HA GLN 18 -3.079 -5.745 3.903 124 HB2 GLN 18 1HB GLN 18 -2.226 -4.849 6.674 125 HB3 GLN 18 2HB GLN 18 -3.293 -6.230 6.394 126 HG2 GLN 18 1HG GLN 18 -1.561 -7.318 5.051 127 HG3 GLN 18 2HG GLN 18 -0.483 -5.939 5.299 128 HE21 GLN 18 1HE2 GLN 18 0.886 -7.674 7.986 129 HE22 GLN 18 2HE2 GLN 18 1.117 -6.924 6.425 130 H PHE 19 H PHE 19 -3.666 -2.699 5.692 131 HA PHE 19 HA PHE 19 -6.420 -3.239 6.263 132 HB2 PHE 19 1HB PHE 19 -5.123 -1.449 7.341 133 HB3 PHE 19 2HB PHE 19 -4.981 -0.601 5.798 134 HD1 PHE 19 1HD PHE 19 -7.364 -1.627 8.457 135 HD2 PHE 19 2HD PHE 19 -6.756 0.758 4.927 136 HE1 PHE 19 1HE PHE 19 -9.513 -0.438 8.895 137 HE2 PHE 19 2HE PHE 19 -8.898 1.952 5.353 138 HZ PHE 19 HZ PHE 19 -10.285 1.355 7.339 139 H VAL 20 H VAL 20 -4.920 -1.405 3.535 140 HA VAL 20 HA VAL 20 -7.505 -0.875 2.377 141 HB VAL 20 HB VAL 20 -5.420 0.564 2.159 142 HG11 VAL 20 1HG1 VAL 20 -3.882 0.120 0.353 143 HG12 VAL 20 2HG1 VAL 20 -3.841 -1.200 1.532 144 HG13 VAL 20 3HG1 VAL 20 -4.692 -1.404 -0.011 145 HG21 VAL 20 1HG2 VAL 20 -7.410 0.965 0.784 146 HG22 VAL 20 2HG2 VAL 20 -5.902 1.337 -0.089 147 HG23 VAL 20 3HG2 VAL 20 -6.782 -0.168 -0.439 148 H CYS 21 H CYS 21 -5.146 -3.479 1.858 149 HA CYS 21 HA CYS 21 -6.683 -4.362 -0.524 150 HB2 CYS 21 1HB CYS 21 -4.153 -5.520 0.671 151 HB3 CYS 21 2HB CYS 21 -4.857 -5.896 -0.905 152 H GLY 22 H GLY 22 -6.277 -5.204 2.859 153 HA2 GLY 22 1HA GLY 22 -7.469 -6.764 4.073 154 HA3 GLY 22 2HA GLY 22 -8.320 -7.257 2.601 155 H ASP 23 H ASP 23 -8.061 -9.400 3.532 156 HA ASP 23 HA ASP 23 -5.475 -10.683 3.716 157 HB2 ASP 23 1HB ASP 23 -6.799 -12.714 3.936 158 HB3 ASP 23 2HB ASP 23 -7.544 -11.433 4.907 159 H ARG 24 H ARG 24 -7.251 -9.580 1.122 160 HA ARG 24 HA ARG 24 -6.914 -11.754 -0.744 161 HB2 ARG 24 1HB ARG 24 -7.454 -8.804 -1.191 162 HB3 ARG 24 2HB ARG 24 -7.657 -10.071 -2.404 163 HG2 ARG 24 1HG ARG 24 -9.488 -11.073 -1.214 164 HG3 ARG 24 2HG ARG 24 -9.150 -10.145 0.251 165 HD2 ARG 24 1HD ARG 24 -10.131 -8.951 -2.350 166 HD3 ARG 24 2HD ARG 24 -11.131 -9.314 -0.933 167 HE ARG 24 HE ARG 24 -8.827 -7.610 -0.345 168 HH11 ARG 24 1HH1 ARG 24 -12.220 -7.561 -1.350 169 HH12 ARG 24 2HH1 ARG 24 -12.437 -5.914 -0.827 170 HH21 ARG 24 1HH2 ARG 24 -9.174 -5.546 0.265 171 HH22 ARG 24 2HH2 ARG 24 -10.734 -4.787 0.085 172 H GLY 25 H GLY 25 -4.704 -9.518 0.546 173 HA2 GLY 25 1HA GLY 25 -2.404 -9.832 0.189 174 HA3 GLY 25 2HA GLY 25 -2.732 -10.539 -1.389 175 H PHE 26 H PHE 26 -0.671 -8.799 -0.988 176 HA PHE 26 HA PHE 26 -1.366 -6.611 -2.816 177 HB2 PHE 26 1HB PHE 26 -0.439 -4.878 -1.373 178 HB3 PHE 26 2HB PHE 26 -1.793 -5.658 -0.546 179 HD1 PHE 26 1HD PHE 26 1.874 -5.197 -0.571 180 HD2 PHE 26 2HD PHE 26 -1.460 -7.051 1.425 181 HE1 PHE 26 1HE PHE 26 3.338 -5.730 1.370 182 HE2 PHE 26 2HE PHE 26 -0.003 -7.592 3.363 183 HZ PHE 26 HZ PHE 26 2.399 -6.943 3.337 184 H TYR 27 H TYR 27 0.697 -5.499 -3.485 185 HA TYR 27 HA TYR 27 3.024 -7.372 -3.212 186 HB2 TYR 27 1HB TYR 27 2.287 -5.566 -5.541 187 HB3 TYR 27 2HB TYR 27 3.701 -6.629 -5.449 188 HD1 TYR 27 1HD TYR 27 3.051 -9.215 -4.858 189 HD2 TYR 27 2HD TYR 27 0.425 -6.357 -6.728 190 HE1 TYR 27 1HE TYR 27 1.703 -11.078 -5.829 191 HE2 TYR 27 2HE TYR 27 -0.894 -8.226 -7.713 192 HH TYR 27 HH TYR 27 -1.130 -10.503 -7.910 193 H PHE 28 H PHE 28 5.022 -6.483 -2.788 194 HA PHE 28 HA PHE 28 5.026 -3.567 -2.129 195 HB2 PHE 28 1HB PHE 28 5.709 -5.597 -0.501 196 HB3 PHE 28 2HB PHE 28 7.256 -5.396 -1.330 197 HD1 PHE 28 1HD PHE 28 8.574 -3.305 -1.026 198 HD2 PHE 28 2HD PHE 28 4.802 -3.888 0.968 199 HE1 PHE 28 1HE PHE 28 9.099 -1.418 0.514 200 HE2 PHE 28 2HE PHE 28 5.318 -2.000 2.509 201 HZ PHE 28 HZ PHE 28 7.471 -0.770 2.296 202 H SER 29 H SER 29 6.699 -2.277 -3.035 203 HA SER 29 HA SER 29 8.453 -3.574 -5.050 204 HB2 SER 29 1HB SER 29 6.432 -2.981 -6.299 205 HB3 SER 29 2HB SER 29 6.497 -1.325 -5.661 206 HG SER 29 HG SER 29 7.422 -1.459 -7.746 207 H ARG 30 H ARG 30 10.275 -2.367 -5.619 208 HA ARG 30 HA ARG 30 10.745 0.263 -4.424 209 HB2 ARG 30 1HB ARG 30 12.779 -0.501 -3.197 210 HB3 ARG 30 2HB ARG 30 11.277 -1.098 -2.507 211 HG2 ARG 30 1HG ARG 30 12.516 -3.000 -2.369 212 HG3 ARG 30 2HG ARG 30 11.821 -3.253 -3.974 213 HD2 ARG 30 1HD ARG 30 13.859 -2.350 -5.000 214 HD3 ARG 30 2HD ARG 30 14.548 -2.052 -3.395 215 HE ARG 30 HE ARG 30 13.842 -4.786 -3.552 216 HH11 ARG 30 1HH1 ARG 30 16.139 -2.589 -5.082 217 HH12 ARG 30 2HH1 ARG 30 17.315 -3.859 -5.352 218 HH21 ARG 30 1HH2 ARG 30 15.376 -6.361 -3.953 219 HH22 ARG 30 2HH2 ARG 30 16.881 -5.950 -4.729 220 HA PRO 31 HA PRO 31 13.131 0.304 -8.119 221 HB2 PRO 31 1HB PRO 31 15.076 2.170 -7.660 222 HB3 PRO 31 2HB PRO 31 13.345 2.612 -7.826 223 HG2 PRO 31 1HG PRO 31 14.943 2.153 -5.319 224 HG3 PRO 31 2HG PRO 31 13.895 3.544 -5.752 225 HD2 PRO 31 1HD PRO 31 12.995 1.517 -4.196 226 HD3 PRO 31 2HD PRO 31 11.926 2.314 -5.407 227 H ALA 32 H ALA 32 15.075 -0.460 -9.091 228 HA ALA 32 HA ALA 32 16.704 -2.115 -7.225 229 HB1 ALA 32 1HB ALA 32 17.064 -3.601 -9.136 230 HB2 ALA 32 2HB ALA 32 15.321 -3.324 -8.900 231 HB3 ALA 32 3HB ALA 32 16.194 -2.480 -10.205 232 H SER 33 H SER 33 17.178 0.810 -8.153 233 HA SER 33 HA SER 33 20.051 0.416 -8.666 234 HB2 SER 33 1HB SER 33 18.994 0.505 -10.941 235 HB3 SER 33 2HB SER 33 18.319 2.092 -10.531 236 HG SER 33 HG SER 33 20.613 1.667 -11.608 237 H ARG 34 H ARG 34 21.176 2.555 -8.527 238 HA ARG 34 HA ARG 34 20.311 4.042 -6.230 239 HB2 ARG 34 1HB ARG 34 22.663 3.628 -7.175 240 HB3 ARG 34 2HB ARG 34 22.337 4.988 -8.259 241 HG2 ARG 34 1HG ARG 34 22.084 6.494 -6.390 242 HG3 ARG 34 2HG ARG 34 22.081 5.143 -5.240 243 HD2 ARG 34 1HD ARG 34 24.385 4.588 -5.898 244 HD3 ARG 34 2HD ARG 34 24.405 5.984 -6.992 245 HE ARG 34 HE ARG 34 23.672 6.899 -4.412 246 HH11 ARG 34 1HH1 ARG 34 26.545 5.565 -5.985 247 HH12 ARG 34 2HH1 ARG 34 27.631 6.378 -4.886 248 HH21 ARG 34 1HH2 ARG 34 25.126 7.901 -3.054 249 HH22 ARG 34 2HH2 ARG 34 26.841 7.669 -3.264 250 H VAL 35 H VAL 35 19.552 4.261 -9.579 251 HA VAL 35 HA VAL 35 18.248 6.901 -9.103 252 HB VAL 35 HB VAL 35 18.396 7.282 -11.570 253 HG11 VAL 35 1HG1 VAL 35 21.108 6.846 -10.250 254 HG12 VAL 35 2HG1 VAL 35 20.750 7.949 -11.600 255 HG13 VAL 35 3HG1 VAL 35 20.056 8.256 -9.994 256 HG21 VAL 35 1HG2 VAL 35 18.667 4.933 -12.345 257 HG22 VAL 35 2HG2 VAL 35 19.989 5.958 -12.933 258 HG23 VAL 35 3HG2 VAL 35 20.265 4.858 -11.569 259 H SER 36 H SER 36 16.100 7.012 -9.408 260 HA SER 36 HA SER 36 14.719 4.479 -10.149 261 HB2 SER 36 1HB SER 36 12.801 5.562 -8.956 262 HB3 SER 36 2HB SER 36 14.226 5.265 -7.942 263 HG SER 36 HG SER 36 13.158 7.418 -7.837 264 H ARG 37 H ARG 37 15.688 5.847 -12.334 265 HA ARG 37 HA ARG 37 13.783 7.724 -13.432 266 HB2 ARG 37 1HB ARG 37 15.772 5.890 -14.836 267 HB3 ARG 37 2HB ARG 37 14.844 7.176 -15.617 268 HG2 ARG 37 1HG ARG 37 15.927 8.805 -13.995 269 HG3 ARG 37 2HG ARG 37 17.023 7.484 -13.530 270 HD2 ARG 37 1HD ARG 37 17.719 7.259 -15.909 271 HD3 ARG 37 2HD ARG 37 16.627 8.579 -16.346 272 HE ARG 37 HE ARG 37 18.013 10.133 -15.139 273 HH11 ARG 37 1HH1 ARG 37 19.520 6.951 -15.523 274 HH12 ARG 37 2HH1 ARG 37 21.121 7.582 -15.245 275 HH21 ARG 37 1HH2 ARG 37 20.084 10.847 -14.795 276 HH22 ARG 37 2HH2 ARG 37 21.430 9.741 -14.844 277 H ARG 38 H ARG 38 13.671 4.361 -12.930 278 HA ARG 38 HA ARG 38 11.026 4.160 -14.190 279 HB2 ARG 38 1HB ARG 38 13.369 2.355 -14.985 280 HB3 ARG 38 2HB ARG 38 11.674 1.910 -15.203 281 HG2 ARG 38 1HG ARG 38 11.393 3.989 -16.615 282 HG3 ARG 38 2HG ARG 38 13.158 4.176 -16.567 283 HD2 ARG 38 1HD ARG 38 13.423 1.957 -17.606 284 HD3 ARG 38 2HD ARG 38 11.659 1.743 -17.608 285 HE ARG 38 HE ARG 38 12.330 4.177 -18.942 286 HH11 ARG 38 1HH1 ARG 38 12.446 0.686 -19.493 287 HH12 ARG 38 2HH1 ARG 38 12.348 0.864 -21.223 288 HH21 ARG 38 1HH2 ARG 38 12.210 4.318 -21.162 289 HH22 ARG 38 2HH2 ARG 38 12.221 2.881 -22.145 290 H SER 39 H SER 39 10.358 1.728 -13.485 291 HA SER 39 HA SER 39 9.877 0.336 -11.753 292 HB2 SER 39 1HB SER 39 12.748 0.713 -10.965 293 HB3 SER 39 2HB SER 39 11.687 -0.645 -10.564 294 HG SER 39 HG SER 39 11.962 -1.441 -12.523 295 H ARG 40 H ARG 40 8.861 2.525 -11.124 296 HA ARG 40 HA ARG 40 9.591 3.760 -8.632 297 HB2 ARG 40 1HB ARG 40 7.968 4.760 -10.215 298 HB3 ARG 40 2HB ARG 40 6.885 3.392 -9.975 299 HG2 ARG 40 1HG ARG 40 5.957 5.141 -8.700 300 HG3 ARG 40 2HG ARG 40 6.726 4.072 -7.531 301 HD2 ARG 40 1HD ARG 40 7.360 6.203 -6.819 302 HD3 ARG 40 2HD ARG 40 8.764 5.652 -7.732 303 HE ARG 40 HE ARG 40 6.674 7.524 -8.748 304 HH11 ARG 40 1HH1 ARG 40 10.076 6.485 -8.711 305 HH12 ARG 40 2HH1 ARG 40 10.547 7.712 -9.854 306 HH21 ARG 40 1HH2 ARG 40 7.374 9.076 -10.162 307 HH22 ARG 40 2HH2 ARG 40 9.050 9.169 -10.634 308 H GLY 41 H GLY 41 9.051 3.229 -6.577 309 HA2 GLY 41 1HA GLY 41 7.713 0.586 -6.192 310 HA3 GLY 41 2HA GLY 41 9.044 1.160 -5.191 311 H ILE 42 H ILE 42 6.673 0.301 -4.045 312 HA ILE 42 HA ILE 42 4.885 2.491 -3.502 313 HB ILE 42 HB ILE 42 4.234 0.073 -3.143 314 HG12 ILE 42 1HG1 ILE 42 3.257 0.385 -0.796 315 HG13 ILE 42 2HG1 ILE 42 4.086 1.934 -0.750 316 HG21 ILE 42 1HG2 ILE 42 6.452 -0.644 -2.083 317 HG22 ILE 42 2HG2 ILE 42 5.913 0.165 -0.593 318 HG23 ILE 42 3HG2 ILE 42 4.993 -1.206 -1.245 319 HD11 ILE 42 1HD1 ILE 42 2.785 2.530 -2.877 320 HD12 ILE 42 2HD1 ILE 42 1.816 1.074 -2.530 321 HD13 ILE 42 3HD1 ILE 42 1.871 2.404 -1.362 322 H VAL 43 H VAL 43 7.902 1.302 -2.028 323 HA VAL 43 HA VAL 43 7.775 3.054 0.238 324 HB VAL 43 HB VAL 43 9.268 1.041 0.086 325 HG11 VAL 43 1HG1 VAL 43 11.409 1.146 -1.087 326 HG12 VAL 43 2HG1 VAL 43 10.077 1.337 -2.240 327 HG13 VAL 43 3HG1 VAL 43 11.022 2.760 -1.724 328 HG21 VAL 43 1HG2 VAL 43 10.749 3.638 0.661 329 HG22 VAL 43 2HG2 VAL 43 9.657 2.793 1.781 330 HG23 VAL 43 3HG2 VAL 43 11.173 2.021 1.269 331 H GLU 44 H GLU 44 8.812 3.493 -3.119 332 HA GLU 44 HA GLU 44 10.107 6.028 -2.618 333 HB2 GLU 44 1HB GLU 44 9.889 4.259 -4.756 334 HB3 GLU 44 2HB GLU 44 8.989 5.689 -5.275 335 HG2 GLU 44 1HG GLU 44 11.034 7.023 -4.458 336 HG3 GLU 44 2HG GLU 44 11.878 5.463 -4.483 337 H GLU 45 H GLU 45 6.844 4.971 -3.528 338 HA GLU 45 HA GLU 45 5.886 7.653 -3.996 339 HB2 GLU 45 1HB GLU 45 4.549 4.981 -3.514 340 HB3 GLU 45 2HB GLU 45 3.620 6.466 -3.659 341 HG2 GLU 45 1HG GLU 45 5.472 5.346 -5.779 342 HG3 GLU 45 2HG GLU 45 3.712 5.217 -5.777 343 H CYS 46 H CYS 46 5.852 5.491 -1.127 344 HA CYS 46 HA CYS 46 4.236 7.555 0.258 345 HB2 CYS 46 1HB CYS 46 4.879 4.739 1.138 346 HB3 CYS 46 2HB CYS 46 3.714 5.839 1.863 347 H CYS 47 H CYS 47 7.501 6.260 0.436 348 HA CYS 47 HA CYS 47 7.766 7.446 3.167 349 HB2 CYS 47 1HB CYS 47 8.431 5.061 2.768 350 HB3 CYS 47 2HB CYS 47 9.693 5.639 1.681 351 H PHE 48 H PHE 48 9.308 7.418 -0.080 352 HA PHE 48 HA PHE 48 11.061 9.646 0.672 353 HB2 PHE 48 1HB PHE 48 10.507 8.253 -1.962 354 HB3 PHE 48 2HB PHE 48 11.618 9.607 -1.793 355 HD1 PHE 48 1HD PHE 48 13.772 9.377 -0.692 356 HD2 PHE 48 2HD PHE 48 11.081 6.045 -0.974 357 HE1 PHE 48 1HE PHE 48 15.621 7.825 -0.067 358 HE2 PHE 48 2HE PHE 48 12.907 4.490 -0.396 359 HZ PHE 48 HZ PHE 48 15.194 5.368 0.072 360 H ARG 49 H ARG 49 7.860 9.259 -0.535 361 HA ARG 49 HA ARG 49 7.551 12.205 -0.639 362 HB2 ARG 49 1HB ARG 49 6.744 10.273 -2.855 363 HB3 ARG 49 2HB ARG 49 5.951 11.838 -2.614 364 HG2 ARG 49 1HG ARG 49 8.284 12.868 -2.713 365 HG3 ARG 49 2HG ARG 49 8.825 11.314 -3.377 366 HD2 ARG 49 1HD ARG 49 7.497 11.560 -5.314 367 HD3 ARG 49 2HD ARG 49 6.462 12.788 -4.561 368 HE ARG 49 HE ARG 49 9.106 13.195 -5.777 369 HH11 ARG 49 1HH1 ARG 49 6.589 14.631 -3.750 370 HH12 ARG 49 2HH1 ARG 49 7.181 16.250 -4.002 371 HH21 ARG 49 1HH2 ARG 49 9.804 15.297 -6.039 372 HH22 ARG 49 2HH2 ARG 49 8.964 16.615 -5.272 373 H SER 50 H SER 50 5.010 12.576 -0.660 374 HA SER 50 HA SER 50 3.937 10.848 1.469 375 HB2 SER 50 1HB SER 50 3.699 13.322 1.570 376 HB3 SER 50 2HB SER 50 2.744 13.276 0.074 377 HG SER 50 HG SER 50 2.104 12.211 2.631 378 H CYS 51 H CYS 51 1.921 9.724 1.294 379 HA CYS 51 HA CYS 51 1.250 8.941 -1.512 380 HB2 CYS 51 1HB CYS 51 1.785 7.428 0.927 381 HB3 CYS 51 2HB CYS 51 0.254 6.972 0.188 382 H ASP 52 H ASP 52 -0.936 8.042 -1.781 383 HA ASP 52 HA ASP 52 -3.003 9.358 -0.059 384 HB2 ASP 52 1HB ASP 52 -2.854 9.137 -3.093 385 HB3 ASP 52 2HB ASP 52 -4.365 9.454 -2.228 386 H LEU 53 H LEU 53 -4.936 8.020 0.139 387 HA LEU 53 HA LEU 53 -4.353 5.269 0.386 388 HB2 LEU 53 1HB LEU 53 -6.151 6.528 1.584 389 HB3 LEU 53 2HB LEU 53 -7.080 6.572 0.085 390 HG LEU 53 HG LEU 53 -7.120 4.049 0.110 391 HD11 LEU 53 1HD1 LEU 53 -5.932 4.463 2.886 392 HD12 LEU 53 2HD1 LEU 53 -5.210 3.561 1.532 393 HD13 LEU 53 3HD1 LEU 53 -6.675 2.949 2.320 394 HD21 LEU 53 1HD2 LEU 53 -8.306 5.479 2.514 395 HD22 LEU 53 2HD2 LEU 53 -8.850 3.921 1.849 396 HD23 LEU 53 3HD2 LEU 53 -9.014 5.399 0.878 397 H ALA 54 H ALA 54 -6.157 6.946 -2.233 398 HA ALA 54 HA ALA 54 -6.893 4.580 -3.623 399 HB1 ALA 54 1HB ALA 54 -7.247 6.087 -5.554 400 HB2 ALA 54 2HB ALA 54 -7.912 6.793 -4.066 401 HB3 ALA 54 3HB ALA 54 -6.361 7.384 -4.717 402 H LEU 55 H LEU 55 -3.956 6.577 -3.776 403 HA LEU 55 HA LEU 55 -2.747 5.232 -6.011 404 HB2 LEU 55 1HB LEU 55 -1.787 7.289 -5.464 405 HB3 LEU 55 2HB LEU 55 -1.858 6.976 -3.744 406 HG LEU 55 HG LEU 55 0.055 5.414 -3.933 407 HD11 LEU 55 1HD1 LEU 55 0.150 6.394 -6.809 408 HD12 LEU 55 2HD1 LEU 55 -0.111 4.723 -6.252 409 HD13 LEU 55 3HD1 LEU 55 1.448 5.505 -5.978 410 HD21 LEU 55 1HD2 LEU 55 0.450 8.235 -4.973 411 HD22 LEU 55 2HD2 LEU 55 1.696 7.204 -4.246 412 HD23 LEU 55 3HD2 LEU 55 0.330 7.725 -3.270 413 H LEU 56 H LEU 56 -2.599 4.792 -2.461 414 HA LEU 56 HA LEU 56 -0.646 2.735 -2.526 415 HB2 LEU 56 1HB LEU 56 -1.607 4.240 -0.636 416 HB3 LEU 56 2HB LEU 56 -2.822 2.988 -0.434 417 HG LEU 56 HG LEU 56 0.049 2.158 -0.392 418 HD11 LEU 56 1HD1 LEU 56 0.080 4.216 0.916 419 HD12 LEU 56 2HD1 LEU 56 0.238 2.804 1.979 420 HD13 LEU 56 3HD1 LEU 56 -1.320 3.650 1.864 421 HD21 LEU 56 1HD2 LEU 56 -0.771 0.727 1.435 422 HD22 LEU 56 2HD2 LEU 56 -1.663 0.486 -0.078 423 HD23 LEU 56 3HD2 LEU 56 -2.382 1.437 1.246 424 H GLU 57 H GLU 57 -4.159 2.699 -2.842 425 HA GLU 57 HA GLU 57 -4.638 -0.083 -2.567 426 HB2 GLU 57 1HB GLU 57 -6.283 1.847 -2.644 427 HB3 GLU 57 2HB GLU 57 -6.081 1.873 -4.389 428 HG2 GLU 57 1HG GLU 57 -7.006 -0.343 -4.596 429 HG3 GLU 57 2HG GLU 57 -7.034 -0.535 -2.840 430 HE2 GLU 57 HE2 GLU 57 -8.895 -0.575 -2.346 431 H THR 58 H THR 58 -3.221 1.694 -5.269 432 HA THR 58 HA THR 58 -3.962 -0.219 -7.280 433 HB THR 58 HB THR 58 -2.360 0.879 -8.728 434 HG1 THR 58 1HG THR 58 -1.478 2.293 -6.405 435 HG21 THR 58 1HG2 THR 58 -4.507 2.065 -8.149 436 HG22 THR 58 2HG2 THR 58 -3.182 3.171 -8.582 437 HG23 THR 58 3HG2 THR 58 -3.639 2.945 -6.881 438 H TYR 59 H TYR 59 -1.705 -0.414 -4.737 439 HA TYR 59 HA TYR 59 0.009 -2.368 -6.156 440 HB2 TYR 59 1HB TYR 59 0.115 -1.077 -3.417 441 HB3 TYR 59 2HB TYR 59 1.197 -2.383 -3.908 442 HD1 TYR 59 1HD TYR 59 3.083 -1.997 -5.330 443 HD2 TYR 59 2HD TYR 59 0.208 1.148 -4.706 444 HE1 TYR 59 1HE TYR 59 4.622 -0.363 -6.431 445 HE2 TYR 59 2HE TYR 59 1.759 2.777 -5.797 446 HH TYR 59 HH TYR 59 4.903 1.773 -7.178 447 H CYS 60 H CYS 60 -3.003 -2.571 -4.872 448 HA CYS 60 HA CYS 60 -2.690 -4.913 -3.175 449 HB2 CYS 60 1HB CYS 60 -5.097 -3.848 -4.692 450 HB3 CYS 60 2HB CYS 60 -5.139 -5.178 -3.531 451 H ALA 61 H ALA 61 -3.410 -7.069 -3.700 452 HA ALA 61 HA ALA 61 -2.622 -7.839 -6.432 453 HB1 ALA 61 1HB ALA 61 -3.541 -9.519 -4.058 454 HB2 ALA 61 2HB ALA 61 -2.813 -10.132 -5.559 455 HB3 ALA 61 3HB ALA 61 -1.845 -9.132 -4.448 456 H THR 62 H THR 62 -4.076 -9.368 -7.642 457 HA THR 62 HA THR 62 -6.697 -8.236 -7.913 458 HB THR 62 HB THR 62 -7.037 -10.237 -9.466 459 HG1 THR 62 1HG THR 62 -5.419 -11.503 -8.256 460 HG21 THR 62 1HG2 THR 62 -6.145 -8.063 -10.298 461 HG22 THR 62 2HG2 THR 62 -5.445 -9.454 -11.160 462 HG23 THR 62 3HG2 THR 62 -4.494 -8.613 -9.919 463 HA PRO 63 HA PRO 63 -8.313 -10.646 -4.612 464 HB2 PRO 63 1HB PRO 63 -10.995 -10.264 -4.921 465 HB3 PRO 63 2HB PRO 63 -9.884 -8.958 -4.400 466 HG2 PRO 63 1HG PRO 63 -10.908 -9.556 -7.165 467 HG3 PRO 63 2HG PRO 63 -10.949 -8.004 -6.263 468 HD2 PRO 63 1HD PRO 63 -9.003 -8.532 -8.054 469 HD3 PRO 63 2HD PRO 63 -8.631 -7.669 -6.523 470 H ALA 64 H ALA 64 -9.358 -12.536 -4.061 471 HA ALA 64 HA ALA 64 -9.540 -14.552 -6.145 472 HB1 ALA 64 1HB ALA 64 -10.312 -14.663 -3.184 473 HB2 ALA 64 2HB ALA 64 -10.104 -16.062 -4.265 474 HB3 ALA 64 3HB ALA 64 -8.702 -15.049 -3.845 475 H LYS 65 H LYS 65 -11.533 -15.941 -6.339 476 HA LYS 65 HA LYS 65 -13.869 -14.224 -6.786 477 HB2 LYS 65 1HB LYS 65 -13.400 -17.191 -7.265 478 HB3 LYS 65 2HB LYS 65 -14.895 -16.333 -7.667 479 HG2 LYS 65 1HG LYS 65 -13.599 -14.828 -9.166 480 HG3 LYS 65 2HG LYS 65 -12.153 -15.815 -8.855 481 HD2 LYS 65 1HD LYS 65 -13.323 -17.805 -9.732 482 HD3 LYS 65 2HD LYS 65 -14.782 -16.827 -10.005 483 HE2 LYS 65 1HE LYS 65 -13.514 -15.388 -11.577 484 HE3 LYS 65 2HE LYS 65 -12.082 -16.414 -11.340 485 HZ1 LYS 65 1HZ LYS 65 -14.683 -17.350 -12.421 486 HZ2 LYS 65 2HZ LYS 65 -13.330 -18.275 -12.235 487 HZ3 LYS 65 3HZ LYS 65 -13.337 -17.035 -13.322 488 H SER 66 H SER 66 -13.864 -13.820 -4.331 489 HA SER 66 HA SER 66 -15.279 -15.948 -2.832 490 HB2 SER 66 1HB SER 66 -14.401 -13.171 -1.961 491 HB3 SER 66 2HB SER 66 -14.952 -14.494 -0.908 492 HG SER 66 HG SER 66 -12.725 -14.525 -0.927 493 H GLU 67 H GLU 67 -17.026 -15.524 -4.667 494 HA GLU 67 HA GLU 67 -19.181 -14.020 -3.356 495 HB2 GLU 67 1HB GLU 67 -18.019 -12.295 -4.841 496 HB3 GLU 67 2HB GLU 67 -18.449 -13.286 -6.237 497 HG2 GLU 67 1HG GLU 67 -20.886 -13.048 -5.627 498 HG3 GLU 67 2HG GLU 67 -20.433 -12.070 -4.229 Start of MODEL 12 1 HA ALA 1 HA ALA 1 -4.732 8.376 18.436 2 HB1 ALA 1 1HB ALA 1 -4.182 11.151 17.251 3 HB2 ALA 1 2HB ALA 1 -4.352 9.647 16.331 4 HB3 ALA 1 3HB ALA 1 -5.744 10.314 17.202 5 H TYR 2 H TYR 2 -2.956 7.689 17.136 6 HA TYR 2 HA TYR 2 -0.421 7.885 18.578 7 HB2 TYR 2 1HB TYR 2 -1.352 5.833 17.350 8 HB3 TYR 2 2HB TYR 2 -0.889 6.642 15.847 9 HD1 TYR 2 1HD TYR 2 0.531 5.562 19.175 10 HD2 TYR 2 2HD TYR 2 1.311 6.315 15.005 11 HE1 TYR 2 1HE TYR 2 2.852 4.696 19.448 12 HE2 TYR 2 2HE TYR 2 3.626 5.418 15.286 13 HH TYR 2 HH TYR 2 4.794 4.114 18.397 14 H ARG 3 H ARG 3 1.628 8.509 17.376 15 HA ARG 3 HA ARG 3 1.375 11.154 16.363 16 HB2 ARG 3 1HB ARG 3 3.758 10.944 15.741 17 HB3 ARG 3 2HB ARG 3 3.447 10.399 17.393 18 HG2 ARG 3 1HG ARG 3 3.684 8.100 16.790 19 HG3 ARG 3 2HG ARG 3 3.634 8.477 15.059 20 HD2 ARG 3 1HD ARG 3 5.900 8.016 15.668 21 HD3 ARG 3 2HD ARG 3 5.735 9.729 15.269 22 HE ARG 3 HE ARG 3 6.134 10.315 17.499 23 HH11 ARG 3 1HH1 ARG 3 6.054 6.787 17.213 24 HH12 ARG 3 2HH1 ARG 3 6.806 6.562 18.770 25 HH21 ARG 3 1HH2 ARG 3 7.059 9.935 19.477 26 HH22 ARG 3 2HH2 ARG 3 7.352 8.309 20.027 27 HA PRO 4 HA PRO 4 0.261 10.238 12.234 28 HB2 PRO 4 1HB PRO 4 0.923 12.517 10.898 29 HB3 PRO 4 2HB PRO 4 -0.398 12.483 12.113 30 HG2 PRO 4 1HG PRO 4 2.473 13.321 12.470 31 HG3 PRO 4 2HG PRO 4 0.979 14.214 12.902 32 HD2 PRO 4 1HD PRO 4 2.339 12.753 14.730 33 HD3 PRO 4 2HD PRO 4 0.541 12.821 14.738 34 H SER 5 H SER 5 1.105 9.791 10.122 35 HA SER 5 HA SER 5 4.095 9.688 9.958 36 HB2 SER 5 1HB SER 5 2.066 7.693 8.869 37 HB3 SER 5 2HB SER 5 3.825 7.624 8.634 38 HG SER 5 HG SER 5 2.615 7.681 11.201 39 H GLU 6 H GLU 6 3.976 11.786 8.936 40 HA GLU 6 HA GLU 6 2.328 12.319 6.663 41 HB2 GLU 6 1HB GLU 6 3.689 14.273 6.323 42 HB3 GLU 6 2HB GLU 6 3.427 14.053 8.056 43 HG2 GLU 6 1HG GLU 6 5.720 13.045 8.229 44 HG3 GLU 6 2HG GLU 6 5.971 13.414 6.516 45 HE2 GLU 6 HE2 GLU 6 7.434 16.125 8.075 46 H THR 7 H THR 7 5.371 10.667 7.032 47 HA THR 7 HA THR 7 5.232 9.907 4.146 48 HB THR 7 HB THR 7 7.688 9.210 4.534 49 HG1 THR 7 1HG THR 7 7.642 9.513 6.811 50 HG21 THR 7 1HG2 THR 7 7.063 12.183 4.596 51 HG22 THR 7 2HG2 THR 7 7.032 11.149 3.145 52 HG23 THR 7 3HG2 THR 7 8.562 11.425 4.011 53 H LEU 8 H LEU 8 4.437 7.934 4.075 54 HA LEU 8 HA LEU 8 4.112 6.475 6.607 55 HB2 LEU 8 1HB LEU 8 2.239 6.826 5.050 56 HB3 LEU 8 2HB LEU 8 3.083 5.911 3.819 57 HG LEU 8 HG LEU 8 2.956 3.925 5.299 58 HD11 LEU 8 1HD1 LEU 8 1.198 5.730 7.006 59 HD12 LEU 8 2HD1 LEU 8 2.728 4.972 7.501 60 HD13 LEU 8 3HD1 LEU 8 1.305 3.964 7.172 61 HD21 LEU 8 1HD2 LEU 8 0.627 3.526 4.813 62 HD22 LEU 8 2HD2 LEU 8 1.337 4.466 3.496 63 HD23 LEU 8 3HD2 LEU 8 0.305 5.266 4.703 64 H CYS 9 H CYS 9 5.759 5.326 7.225 65 HA CYS 9 HA CYS 9 7.024 3.363 5.411 66 HB2 CYS 9 1HB CYS 9 8.117 5.822 5.396 67 HB3 CYS 9 2HB CYS 9 8.909 5.195 6.850 68 H GLY 10 H GLY 10 9.242 2.784 7.081 69 HA2 GLY 10 1HA GLY 10 9.842 1.807 9.079 70 HA3 GLY 10 2HA GLY 10 8.729 2.947 9.842 71 H GLY 11 H GLY 11 7.720 0.410 7.570 72 HA2 GLY 11 1HA GLY 11 6.659 -1.626 8.055 73 HA3 GLY 11 2HA GLY 11 6.797 -1.284 9.783 74 H GLU 12 H GLU 12 5.552 1.468 9.360 75 HA GLU 12 HA GLU 12 2.824 0.708 9.815 76 HB2 GLU 12 1HB GLU 12 3.967 3.386 8.928 77 HB3 GLU 12 2HB GLU 12 2.339 3.134 9.541 78 HG2 GLU 12 1HG GLU 12 4.855 2.576 11.163 79 HG3 GLU 12 2HG GLU 12 3.975 4.107 11.193 80 H LEU 13 H LEU 13 4.666 1.560 6.946 81 HA LEU 13 HA LEU 13 2.517 1.918 5.127 82 HB2 LEU 13 1HB LEU 13 4.863 2.483 4.667 83 HB3 LEU 13 2HB LEU 13 5.309 0.782 4.713 84 HG LEU 13 HG LEU 13 4.080 0.336 2.682 85 HD11 LEU 13 1HD1 LEU 13 2.189 1.820 2.874 86 HD12 LEU 13 2HD1 LEU 13 3.057 2.202 1.384 87 HD13 LEU 13 3HD1 LEU 13 3.253 3.246 2.803 88 HD21 LEU 13 1HD2 LEU 13 5.435 1.683 1.136 89 HD22 LEU 13 2HD2 LEU 13 6.398 1.191 2.540 90 HD23 LEU 13 3HD2 LEU 13 5.777 2.851 2.432 91 H VAL 14 H VAL 14 4.237 -1.034 6.201 92 HA VAL 14 HA VAL 14 2.899 -2.807 4.362 93 HB VAL 14 HB VAL 14 4.287 -3.380 7.026 94 HG11 VAL 14 1HG1 VAL 14 4.469 -5.713 6.168 95 HG12 VAL 14 2HG1 VAL 14 2.788 -5.224 6.453 96 HG13 VAL 14 3HG1 VAL 14 3.432 -5.266 4.796 97 HG21 VAL 14 1HG2 VAL 14 5.797 -2.372 5.334 98 HG22 VAL 14 2HG2 VAL 14 6.195 -4.080 5.598 99 HG23 VAL 14 3HG2 VAL 14 5.287 -3.597 4.145 100 H ASP 15 H ASP 15 2.300 -1.787 7.741 101 HA ASP 15 HA ASP 15 0.043 -3.485 8.186 102 HB2 ASP 15 1HB ASP 15 1.287 -2.127 9.923 103 HB3 ASP 15 2HB ASP 15 0.500 -0.679 9.279 104 H THR 16 H THR 16 0.339 -0.215 6.749 105 HA THR 16 HA THR 16 -2.481 0.181 6.446 106 HB THR 16 HB THR 16 -0.254 1.354 4.730 107 HG1 THR 16 1HG THR 16 0.121 1.704 6.961 108 HG21 THR 16 1HG2 THR 16 -3.062 2.303 5.442 109 HG22 THR 16 2HG2 THR 16 -2.477 1.827 3.829 110 HG23 THR 16 3HG2 THR 16 -1.843 3.288 4.610 111 H LEU 17 H LEU 17 -0.002 -1.254 4.258 112 HA LEU 17 HA LEU 17 -1.763 -1.566 2.015 113 HB2 LEU 17 1HB LEU 17 0.723 -2.996 2.960 114 HB3 LEU 17 2HB LEU 17 -0.145 -3.534 1.529 115 HG LEU 17 HG LEU 17 0.662 -0.650 1.713 116 HD11 LEU 17 1HD1 LEU 17 2.834 -1.140 0.773 117 HD12 LEU 17 2HD1 LEU 17 2.509 -2.882 0.846 118 HD13 LEU 17 3HD1 LEU 17 2.664 -1.935 2.343 119 HD21 LEU 17 1HD2 LEU 17 0.787 -0.854 -0.716 120 HD22 LEU 17 2HD2 LEU 17 -0.761 -1.523 -0.171 121 HD23 LEU 17 3HD2 LEU 17 0.565 -2.616 -0.622 122 H GLN 18 H GLN 18 -1.120 -3.601 4.864 123 HA GLN 18 HA GLN 18 -2.763 -5.813 4.012 124 HB2 GLN 18 1HB GLN 18 -1.874 -4.836 6.745 125 HB3 GLN 18 2HB GLN 18 -2.746 -6.351 6.487 126 HG2 GLN 18 1HG GLN 18 -0.956 -7.298 5.244 127 HG3 GLN 18 2HG GLN 18 -0.141 -5.744 5.075 128 HE21 GLN 18 1HE2 GLN 18 1.667 -7.676 7.628 129 HE22 GLN 18 2HE2 GLN 18 1.294 -7.840 5.929 130 H PHE 19 H PHE 19 -3.402 -2.849 5.921 131 HA PHE 19 HA PHE 19 -6.109 -3.519 6.580 132 HB2 PHE 19 1HB PHE 19 -4.801 -1.785 7.732 133 HB3 PHE 19 2HB PHE 19 -4.728 -0.829 6.250 134 HD1 PHE 19 1HD PHE 19 -6.550 0.564 5.550 135 HD2 PHE 19 2HD PHE 19 -6.992 -2.070 8.922 136 HE1 PHE 19 1HE PHE 19 -8.668 1.719 6.163 137 HE2 PHE 19 2HE PHE 19 -9.113 -0.920 9.548 138 HZ PHE 19 HZ PHE 19 -9.954 0.981 8.168 139 H VAL 20 H VAL 20 -4.741 -1.549 3.897 140 HA VAL 20 HA VAL 20 -7.299 -0.791 2.860 141 HB VAL 20 HB VAL 20 -4.510 -0.832 1.604 142 HG11 VAL 20 1HG1 VAL 20 -7.075 0.389 0.477 143 HG12 VAL 20 2HG1 VAL 20 -5.435 0.727 -0.129 144 HG13 VAL 20 3HG1 VAL 20 -6.104 -0.909 -0.255 145 HG21 VAL 20 1HG2 VAL 20 -6.254 1.367 2.795 146 HG22 VAL 20 2HG2 VAL 20 -4.739 0.737 3.459 147 HG23 VAL 20 3HG2 VAL 20 -4.722 1.657 1.945 148 H CYS 21 H CYS 21 -5.078 -3.479 1.917 149 HA CYS 21 HA CYS 21 -7.077 -4.196 -0.149 150 HB2 CYS 21 1HB CYS 21 -4.416 -4.152 -0.312 151 HB3 CYS 21 2HB CYS 21 -4.623 -5.828 0.236 152 H GLY 22 H GLY 22 -6.275 -5.154 3.072 153 HA2 GLY 22 1HA GLY 22 -7.103 -6.851 4.371 154 HA3 GLY 22 2HA GLY 22 -8.424 -6.978 3.198 155 H ASP 23 H ASP 23 -8.621 -9.143 3.159 156 HA ASP 23 HA ASP 23 -6.390 -10.943 2.999 157 HB2 ASP 23 1HB ASP 23 -8.804 -11.344 3.866 158 HB3 ASP 23 2HB ASP 23 -9.208 -11.645 2.168 159 H ARG 24 H ARG 24 -7.385 -8.885 0.569 160 HA ARG 24 HA ARG 24 -7.346 -10.794 -1.646 161 HB2 ARG 24 1HB ARG 24 -6.981 -7.782 -1.595 162 HB3 ARG 24 2HB ARG 24 -7.228 -8.748 -3.038 163 HG2 ARG 24 1HG ARG 24 -9.232 -8.301 -0.777 164 HG3 ARG 24 2HG ARG 24 -9.297 -7.615 -2.407 165 HD2 ARG 24 1HD ARG 24 -9.589 -10.541 -1.638 166 HD3 ARG 24 2HD ARG 24 -10.843 -9.465 -2.292 167 HE ARG 24 HE ARG 24 -8.616 -9.530 -4.065 168 HH11 ARG 24 1HH1 ARG 24 -11.244 -11.647 -3.029 169 HH12 ARG 24 2HH1 ARG 24 -11.238 -12.546 -4.522 170 HH21 ARG 24 1HH2 ARG 24 -8.675 -10.704 -5.952 171 HH22 ARG 24 2HH2 ARG 24 -9.804 -12.019 -6.148 172 H GLY 25 H GLY 25 -4.983 -9.159 0.293 173 HA2 GLY 25 1HA GLY 25 -2.683 -9.597 0.268 174 HA3 GLY 25 2HA GLY 25 -2.857 -10.438 -1.281 175 H PHE 26 H PHE 26 -0.740 -8.668 -0.793 176 HA PHE 26 HA PHE 26 -1.272 -6.603 -2.838 177 HB2 PHE 26 1HB PHE 26 -0.445 -4.796 -1.474 178 HB3 PHE 26 2HB PHE 26 -1.766 -5.558 -0.585 179 HD1 PHE 26 1HD PHE 26 1.839 -4.866 -0.666 180 HD2 PHE 26 2HD PHE 26 -1.286 -6.968 1.415 181 HE1 PHE 26 1HE PHE 26 3.373 -5.225 1.261 182 HE2 PHE 26 2HE PHE 26 0.249 -7.343 3.333 183 HZ PHE 26 HZ PHE 26 2.583 -6.469 3.263 184 H TYR 27 H TYR 27 0.857 -5.546 -3.438 185 HA TYR 27 HA TYR 27 3.149 -7.380 -2.827 186 HB2 TYR 27 1HB TYR 27 2.337 -6.109 -5.440 187 HB3 TYR 27 2HB TYR 27 4.009 -6.596 -5.117 188 HD1 TYR 27 1HD TYR 27 0.578 -7.832 -5.718 189 HD2 TYR 27 2HD TYR 27 4.628 -8.965 -4.820 190 HE1 TYR 27 1HE TYR 27 0.045 -10.216 -6.265 191 HE2 TYR 27 2HE TYR 27 4.083 -11.339 -5.368 192 HH TYR 27 HH TYR 27 0.827 -12.376 -6.352 193 H PHE 28 H PHE 28 5.205 -6.449 -2.733 194 HA PHE 28 HA PHE 28 5.213 -3.513 -2.146 195 HB2 PHE 28 1HB PHE 28 5.201 -5.223 -0.147 196 HB3 PHE 28 2HB PHE 28 6.855 -5.585 -0.646 197 HD1 PHE 28 1HD PHE 28 8.623 -3.732 -0.513 198 HD2 PHE 28 2HD PHE 28 4.656 -3.259 1.055 199 HE1 PHE 28 1HE PHE 28 9.402 -1.800 0.830 200 HE2 PHE 28 2HE PHE 28 5.422 -1.329 2.414 201 HZ PHE 28 HZ PHE 28 7.800 -0.590 2.304 202 H SER 29 H SER 29 7.295 -2.528 -2.519 203 HA SER 29 HA SER 29 8.962 -3.793 -4.581 204 HB2 SER 29 1HB SER 29 10.312 -1.600 -4.048 205 HB3 SER 29 2HB SER 29 8.730 -1.468 -4.844 206 HG SER 29 HG SER 29 9.355 -1.067 -2.108 207 H ARG 30 H ARG 30 9.156 -5.636 -2.912 208 HA ARG 30 HA ARG 30 10.858 -5.134 -0.587 209 HB2 ARG 30 1HB ARG 30 10.461 -7.530 -0.125 210 HB3 ARG 30 2HB ARG 30 8.976 -6.643 -0.426 211 HG2 ARG 30 1HG ARG 30 8.534 -8.557 -1.599 212 HG3 ARG 30 2HG ARG 30 9.248 -7.592 -2.900 213 HD2 ARG 30 1HD ARG 30 11.363 -8.710 -2.656 214 HD3 ARG 30 2HD ARG 30 10.836 -9.501 -1.161 215 HE ARG 30 HE ARG 30 9.071 -10.256 -3.246 216 HH11 ARG 30 1HH1 ARG 30 12.435 -10.770 -2.296 217 HH12 ARG 30 2HH1 ARG 30 12.490 -12.357 -3.031 218 HH21 ARG 30 1HH2 ARG 30 9.227 -12.274 -4.180 219 HH22 ARG 30 2HH2 ARG 30 10.712 -13.180 -4.093 220 HA PRO 31 HA PRO 31 14.685 -6.086 -2.400 221 HB2 PRO 31 1HB PRO 31 16.105 -7.424 -0.486 222 HB3 PRO 31 2HB PRO 31 15.667 -5.694 -0.321 223 HG2 PRO 31 1HG PRO 31 14.246 -8.107 0.784 224 HG3 PRO 31 2HG PRO 31 14.802 -6.633 1.646 225 HD2 PRO 31 1HD PRO 31 12.261 -6.869 0.819 226 HD3 PRO 31 2HD PRO 31 13.122 -5.299 0.679 227 H ALA 32 H ALA 32 15.969 -7.650 -3.430 228 HA ALA 32 HA ALA 32 15.451 -10.500 -3.134 229 HB1 ALA 32 1HB ALA 32 13.532 -9.847 -4.597 230 HB2 ALA 32 2HB ALA 32 14.653 -9.029 -5.699 231 HB3 ALA 32 3HB ALA 32 14.725 -10.796 -5.511 232 H SER 33 H SER 33 16.861 -11.511 -5.070 233 HA SER 33 HA SER 33 19.487 -10.423 -4.716 234 HB2 SER 33 1HB SER 33 18.384 -12.712 -6.296 235 HB3 SER 33 2HB SER 33 20.107 -12.327 -6.176 236 HG SER 33 HG SER 33 20.009 -12.727 -3.973 237 H ARG 34 H ARG 34 18.443 -11.662 -7.719 238 HA ARG 34 HA ARG 34 20.396 -10.243 -9.237 239 HB2 ARG 34 1HB ARG 34 18.177 -12.152 -9.715 240 HB3 ARG 34 2HB ARG 34 18.613 -11.170 -11.113 241 HG2 ARG 34 1HG ARG 34 20.678 -12.662 -9.516 242 HG3 ARG 34 2HG ARG 34 19.773 -13.416 -10.845 243 HD2 ARG 34 1HD ARG 34 20.529 -11.564 -12.356 244 HD3 ARG 34 2HD ARG 34 21.539 -10.943 -11.037 245 HE ARG 34 HE ARG 34 22.167 -13.685 -11.462 246 HH11 ARG 34 1HH1 ARG 34 22.579 -10.584 -13.099 247 HH12 ARG 34 2HH1 ARG 34 24.002 -11.117 -13.951 248 HH21 ARG 34 1HH2 ARG 34 23.992 -14.293 -12.584 249 HH22 ARG 34 2HH2 ARG 34 24.788 -13.175 -13.657 250 H VAL 35 H VAL 35 17.755 -8.956 -7.986 251 HA VAL 35 HA VAL 35 16.642 -7.507 -10.252 252 HB VAL 35 HB VAL 35 15.583 -6.055 -8.493 253 HG11 VAL 35 1HG1 VAL 35 14.495 -8.102 -9.364 254 HG12 VAL 35 2HG1 VAL 35 15.287 -9.067 -8.097 255 HG13 VAL 35 3HG1 VAL 35 14.091 -7.821 -7.659 256 HG21 VAL 35 1HG2 VAL 35 16.964 -7.978 -6.562 257 HG22 VAL 35 2HG2 VAL 35 17.395 -6.271 -6.779 258 HG23 VAL 35 3HG2 VAL 35 15.798 -6.707 -6.133 259 H SER 36 H SER 36 16.811 -5.262 -10.666 260 HA SER 36 HA SER 36 19.587 -4.318 -10.285 261 HB2 SER 36 1HB SER 36 17.625 -3.155 -12.245 262 HB3 SER 36 2HB SER 36 19.391 -3.294 -12.371 263 HG SER 36 HG SER 36 19.105 -5.559 -12.606 264 H ARG 37 H ARG 37 17.005 -3.948 -8.566 265 HA ARG 37 HA ARG 37 16.062 -2.304 -7.242 266 HB2 ARG 37 1HB ARG 37 18.826 -1.124 -7.644 267 HB3 ARG 37 2HB ARG 37 17.707 -0.667 -6.362 268 HG2 ARG 37 1HG ARG 37 18.634 -3.544 -6.726 269 HG3 ARG 37 2HG ARG 37 19.593 -2.362 -5.808 270 HD2 ARG 37 1HD ARG 37 16.697 -3.083 -5.201 271 HD3 ARG 37 2HD ARG 37 18.112 -3.737 -4.350 272 HE ARG 37 HE ARG 37 18.341 -0.944 -4.234 273 HH11 ARG 37 1HH1 ARG 37 16.058 -3.347 -3.020 274 HH12 ARG 37 2HH1 ARG 37 15.612 -2.364 -1.651 275 HH21 ARG 37 1HH2 ARG 37 17.733 0.242 -2.462 276 HH22 ARG 37 2HH2 ARG 37 16.548 -0.370 -1.340 277 H ARG 38 H ARG 38 15.252 -2.021 -9.828 278 HA ARG 38 HA ARG 38 15.662 0.594 -10.926 279 HB2 ARG 38 1HB ARG 38 13.385 -1.389 -11.345 280 HB3 ARG 38 2HB ARG 38 13.719 0.026 -12.357 281 HG2 ARG 38 1HG ARG 38 15.971 -0.950 -12.889 282 HG3 ARG 38 2HG ARG 38 15.507 -2.408 -11.995 283 HD2 ARG 38 1HD ARG 38 13.583 -2.724 -13.536 284 HD3 ARG 38 2HD ARG 38 14.084 -1.280 -14.432 285 HE ARG 38 HE ARG 38 15.947 -2.427 -15.301 286 HH11 ARG 38 1HH1 ARG 38 14.080 -4.576 -13.204 287 HH12 ARG 38 2HH1 ARG 38 14.883 -6.001 -13.806 288 HH21 ARG 38 1HH2 ARG 38 16.921 -4.290 -16.005 289 HH22 ARG 38 2HH2 ARG 38 16.462 -5.838 -15.355 290 H SER 39 H SER 39 13.978 2.212 -11.220 291 HA SER 39 HA SER 39 12.958 3.061 -8.665 292 HB2 SER 39 1HB SER 39 13.874 4.442 -10.672 293 HB3 SER 39 2HB SER 39 12.235 4.288 -11.336 294 HG SER 39 HG SER 39 12.365 6.168 -10.131 295 H ARG 40 H ARG 40 10.684 4.130 -8.720 296 HA ARG 40 HA ARG 40 8.494 3.922 -8.473 297 HB2 ARG 40 1HB ARG 40 8.494 3.811 -10.934 298 HB3 ARG 40 2HB ARG 40 8.477 2.051 -10.834 299 HG2 ARG 40 1HG ARG 40 6.363 3.501 -9.335 300 HG3 ARG 40 2HG ARG 40 6.261 3.529 -11.108 301 HD2 ARG 40 1HD ARG 40 6.396 1.085 -11.181 302 HD3 ARG 40 2HD ARG 40 6.555 1.029 -9.418 303 HE ARG 40 HE ARG 40 4.187 2.448 -10.017 304 HH11 ARG 40 1HH1 ARG 40 5.376 -0.858 -10.352 305 HH12 ARG 40 2HH1 ARG 40 3.779 -1.544 -10.212 306 HH21 ARG 40 1HH2 ARG 40 2.176 1.493 -9.838 307 HH22 ARG 40 2HH2 ARG 40 2.005 -0.237 -9.925 308 H GLY 41 H GLY 41 7.389 3.081 -7.041 309 HA2 GLY 41 1HA GLY 41 6.537 0.494 -6.664 310 HA3 GLY 41 2HA GLY 41 8.134 0.514 -5.875 311 H ILE 42 H ILE 42 5.776 0.112 -4.384 312 HA ILE 42 HA ILE 42 4.517 2.432 -3.472 313 HB ILE 42 HB ILE 42 3.710 0.102 -3.087 314 HG12 ILE 42 1HG1 ILE 42 3.063 0.421 -0.624 315 HG13 ILE 42 2HG1 ILE 42 3.982 1.915 -0.682 316 HG21 ILE 42 1HG2 ILE 42 5.779 -0.081 -0.847 317 HG22 ILE 42 2HG2 ILE 42 4.579 -1.307 -1.315 318 HG23 ILE 42 3HG2 ILE 42 5.910 -0.912 -2.418 319 HD11 ILE 42 1HD1 ILE 42 2.506 2.645 -2.593 320 HD12 ILE 42 2HD1 ILE 42 1.530 1.183 -2.287 321 HD13 ILE 42 3HD1 ILE 42 1.684 2.432 -1.034 322 H VAL 43 H VAL 43 7.628 1.083 -2.359 323 HA VAL 43 HA VAL 43 7.762 2.700 -0.011 324 HB VAL 43 HB VAL 43 9.222 0.683 -0.532 325 HG11 VAL 43 1HG1 VAL 43 10.930 2.659 -2.112 326 HG12 VAL 43 2HG1 VAL 43 11.259 0.935 -1.811 327 HG13 VAL 43 3HG1 VAL 43 9.901 1.405 -2.852 328 HG21 VAL 43 1HG2 VAL 43 11.201 1.570 0.641 329 HG22 VAL 43 2HG2 VAL 43 10.636 3.234 0.334 330 HG23 VAL 43 3HG2 VAL 43 9.685 2.140 1.368 331 H GLU 44 H GLU 44 8.477 3.421 -3.418 332 HA GLU 44 HA GLU 44 9.932 5.837 -2.753 333 HB2 GLU 44 1HB GLU 44 9.523 4.269 -5.052 334 HB3 GLU 44 2HB GLU 44 8.814 5.855 -5.400 335 HG2 GLU 44 1HG GLU 44 10.946 6.906 -4.596 336 HG3 GLU 44 2HG GLU 44 11.637 5.281 -4.471 337 H GLU 45 H GLU 45 6.580 5.002 -3.466 338 HA GLU 45 HA GLU 45 5.879 7.813 -3.792 339 HB2 GLU 45 1HB GLU 45 3.945 5.525 -3.389 340 HB3 GLU 45 2HB GLU 45 3.669 7.085 -4.162 341 HG2 GLU 45 1HG GLU 45 5.141 4.680 -5.225 342 HG3 GLU 45 2HG GLU 45 3.777 5.537 -5.937 343 H CYS 46 H CYS 46 5.905 5.488 -1.143 344 HA CYS 46 HA CYS 46 4.329 7.413 0.493 345 HB2 CYS 46 1HB CYS 46 4.965 4.489 0.885 346 HB3 CYS 46 2HB CYS 46 4.105 5.489 2.053 347 H CYS 47 H CYS 47 7.576 5.912 0.463 348 HA CYS 47 HA CYS 47 8.053 7.051 3.171 349 HB2 CYS 47 1HB CYS 47 9.878 5.431 1.375 350 HB3 CYS 47 2HB CYS 47 10.261 5.982 2.998 351 H PHE 48 H PHE 48 9.169 7.359 -0.205 352 HA PHE 48 HA PHE 48 10.990 9.558 0.560 353 HB2 PHE 48 1HB PHE 48 10.424 8.139 -2.061 354 HB3 PHE 48 2HB PHE 48 11.534 9.489 -1.905 355 HD1 PHE 48 1HD PHE 48 11.015 5.931 -1.167 356 HD2 PHE 48 2HD PHE 48 13.667 9.277 -0.721 357 HE1 PHE 48 1HE PHE 48 12.844 4.375 -0.585 358 HE2 PHE 48 2HE PHE 48 15.517 7.729 -0.102 359 HZ PHE 48 HZ PHE 48 15.112 5.268 -0.033 360 H ARG 49 H ARG 49 7.802 9.097 -0.627 361 HA ARG 49 HA ARG 49 7.462 12.045 -0.910 362 HB2 ARG 49 1HB ARG 49 6.443 9.873 -2.792 363 HB3 ARG 49 2HB ARG 49 5.748 11.498 -2.718 364 HG2 ARG 49 1HG ARG 49 7.943 12.452 -3.286 365 HG3 ARG 49 2HG ARG 49 8.609 10.820 -3.458 366 HD2 ARG 49 1HD ARG 49 6.167 11.705 -5.019 367 HD3 ARG 49 2HD ARG 49 7.797 12.081 -5.586 368 HE ARG 49 HE ARG 49 6.468 9.464 -5.616 369 HH11 ARG 49 1HH1 ARG 49 9.603 11.100 -5.790 370 HH12 ARG 49 2HH1 ARG 49 10.339 9.780 -6.656 371 HH21 ARG 49 1HH2 ARG 49 7.464 7.836 -6.701 372 HH22 ARG 49 2HH2 ARG 49 9.152 7.956 -7.156 373 H SER 50 H SER 50 4.924 12.390 -0.824 374 HA SER 50 HA SER 50 3.851 10.700 1.375 375 HB2 SER 50 1HB SER 50 2.049 12.443 1.377 376 HB3 SER 50 2HB SER 50 3.670 13.130 1.636 377 HG SER 50 HG SER 50 2.415 12.972 -0.911 378 H CYS 51 H CYS 51 1.830 9.563 1.070 379 HA CYS 51 HA CYS 51 0.896 9.394 -1.752 380 HB2 CYS 51 1HB CYS 51 0.751 6.968 -1.582 381 HB3 CYS 51 2HB CYS 51 2.406 7.523 -1.365 382 H ASP 52 H ASP 52 -1.227 8.294 -1.940 383 HA ASP 52 HA ASP 52 -2.971 8.968 0.400 384 HB2 ASP 52 1HB ASP 52 -3.453 9.411 -2.569 385 HB3 ASP 52 2HB ASP 52 -4.662 9.666 -1.301 386 H LEU 53 H LEU 53 -5.147 7.892 0.234 387 HA LEU 53 HA LEU 53 -4.857 5.125 0.316 388 HB2 LEU 53 1HB LEU 53 -6.657 6.403 1.389 389 HB3 LEU 53 2HB LEU 53 -7.333 6.809 -0.183 390 HG LEU 53 HG LEU 53 -7.905 4.433 -0.565 391 HD11 LEU 53 1HD1 LEU 53 -7.851 2.872 1.362 392 HD12 LEU 53 2HD1 LEU 53 -6.896 4.063 2.278 393 HD13 LEU 53 3HD1 LEU 53 -6.232 3.322 0.799 394 HD21 LEU 53 1HD2 LEU 53 -8.948 5.599 2.047 395 HD22 LEU 53 2HD2 LEU 53 -9.752 4.362 1.055 396 HD23 LEU 53 3HD2 LEU 53 -9.531 6.000 0.413 397 H ALA 54 H ALA 54 -6.325 6.978 -2.408 398 HA ALA 54 HA ALA 54 -7.052 4.687 -3.912 399 HB1 ALA 54 1HB ALA 54 -7.174 6.254 -5.828 400 HB2 ALA 54 2HB ALA 54 -7.921 6.951 -4.374 401 HB3 ALA 54 3HB ALA 54 -6.299 7.485 -4.885 402 H LEU 55 H LEU 55 -4.043 6.588 -3.896 403 HA LEU 55 HA LEU 55 -2.763 5.159 -6.032 404 HB2 LEU 55 1HB LEU 55 -1.838 7.223 -5.520 405 HB3 LEU 55 2HB LEU 55 -1.960 6.974 -3.793 406 HG LEU 55 HG LEU 55 0.006 5.569 -3.770 407 HD11 LEU 55 1HD1 LEU 55 1.457 5.457 -5.827 408 HD12 LEU 55 2HD1 LEU 55 0.043 5.971 -6.777 409 HD13 LEU 55 3HD1 LEU 55 0.012 4.439 -5.870 410 HD21 LEU 55 1HD2 LEU 55 0.108 8.053 -3.629 411 HD22 LEU 55 2HD2 LEU 55 0.446 8.113 -5.372 412 HD23 LEU 55 3HD2 LEU 55 1.588 7.327 -4.263 413 H LEU 56 H LEU 56 -2.744 4.794 -2.461 414 HA LEU 56 HA LEU 56 -0.834 2.712 -2.400 415 HB2 LEU 56 1HB LEU 56 -1.857 4.180 -0.539 416 HB3 LEU 56 2HB LEU 56 -3.118 2.952 -0.438 417 HG LEU 56 HG LEU 56 -0.312 1.968 -0.390 418 HD11 LEU 56 1HD1 LEU 56 -0.013 2.568 1.991 419 HD12 LEU 56 2HD1 LEU 56 -1.496 3.548 1.922 420 HD13 LEU 56 3HD1 LEU 56 -0.079 3.999 0.946 421 HD21 LEU 56 1HD2 LEU 56 -2.204 0.454 -0.075 422 HD22 LEU 56 2HD2 LEU 56 -2.743 1.411 1.319 423 HD23 LEU 56 3HD2 LEU 56 -1.209 0.540 1.388 424 H GLU 57 H GLU 57 -4.325 2.640 -2.907 425 HA GLU 57 HA GLU 57 -4.762 -0.158 -2.699 426 HB2 GLU 57 1HB GLU 57 -6.419 1.757 -2.823 427 HB3 GLU 57 2HB GLU 57 -6.131 1.817 -4.557 428 HG2 GLU 57 1HG GLU 57 -6.985 -0.455 -4.810 429 HG3 GLU 57 2HG GLU 57 -7.203 -0.577 -3.062 430 HE2 GLU 57 HE2 GLU 57 -10.363 0.247 -4.336 431 H THR 58 H THR 58 -3.299 1.710 -5.324 432 HA THR 58 HA THR 58 -3.834 -0.229 -7.369 433 HB THR 58 HB THR 58 -2.259 0.956 -8.750 434 HG1 THR 58 1HG THR 58 -1.453 2.343 -6.382 435 HG21 THR 58 1HG2 THR 58 -3.557 3.012 -6.918 436 HG22 THR 58 2HG2 THR 58 -4.465 2.066 -8.116 437 HG23 THR 58 3HG2 THR 58 -3.180 3.181 -8.644 438 H TYR 59 H TYR 59 -1.684 -0.363 -4.724 439 HA TYR 59 HA TYR 59 0.123 -2.265 -6.119 440 HB2 TYR 59 1HB TYR 59 0.236 -0.904 -3.420 441 HB3 TYR 59 2HB TYR 59 1.344 -2.199 -3.899 442 HD1 TYR 59 1HD TYR 59 0.392 1.336 -4.507 443 HD2 TYR 59 2HD TYR 59 3.009 -1.876 -5.675 444 HE1 TYR 59 1HE TYR 59 1.857 2.959 -5.709 445 HE2 TYR 59 2HE TYR 59 4.456 -0.243 -6.895 446 HH TYR 59 HH TYR 59 3.787 3.265 -6.903 447 H CYS 60 H CYS 60 -2.844 -2.584 -5.060 448 HA CYS 60 HA CYS 60 -2.796 -4.878 -3.323 449 HB2 CYS 60 1HB CYS 60 -4.686 -3.703 -5.349 450 HB3 CYS 60 2HB CYS 60 -4.959 -5.357 -4.800 451 H ALA 61 H ALA 61 -3.291 -7.120 -4.015 452 HA ALA 61 HA ALA 61 -1.469 -7.934 -6.137 453 HB1 ALA 61 1HB ALA 61 -1.692 -9.277 -4.111 454 HB2 ALA 61 2HB ALA 61 -3.430 -9.509 -4.430 455 HB3 ALA 61 3HB ALA 61 -2.225 -10.225 -5.522 456 H THR 62 H THR 62 -2.099 -9.426 -7.785 457 HA THR 62 HA THR 62 -3.145 -10.074 -9.660 458 HB THR 62 HB THR 62 -5.502 -10.382 -9.864 459 HG1 THR 62 1HG THR 62 -5.654 -8.303 -7.952 460 HG21 THR 62 1HG2 THR 62 -6.129 -11.519 -7.841 461 HG22 THR 62 2HG2 THR 62 -4.998 -10.558 -6.870 462 HG23 THR 62 3HG2 THR 62 -4.381 -11.741 -8.053 463 HA PRO 63 HA PRO 63 -3.019 -6.477 -12.004 464 HB2 PRO 63 1HB PRO 63 -4.188 -7.087 -14.395 465 HB3 PRO 63 2HB PRO 63 -2.626 -7.787 -13.875 466 HG2 PRO 63 1HG PRO 63 -5.393 -8.965 -13.662 467 HG3 PRO 63 2HG PRO 63 -3.904 -9.710 -14.333 468 HD2 PRO 63 1HD PRO 63 -4.725 -10.210 -11.803 469 HD3 PRO 63 2HD PRO 63 -2.979 -10.048 -12.196 470 H ALA 64 H ALA 64 -4.160 -4.671 -12.795 471 HA ALA 64 HA ALA 64 -6.678 -4.188 -11.539 472 HB1 ALA 64 1HB ALA 64 -5.334 -2.690 -13.845 473 HB2 ALA 64 2HB ALA 64 -6.668 -2.072 -12.841 474 HB3 ALA 64 3HB ALA 64 -5.074 -2.370 -12.109 475 H LYS 65 H LYS 65 -8.654 -4.770 -12.150 476 HA LYS 65 HA LYS 65 -9.141 -5.402 -15.032 477 HB2 LYS 65 1HB LYS 65 -8.772 -7.358 -13.260 478 HB3 LYS 65 2HB LYS 65 -10.467 -7.032 -12.883 479 HG2 LYS 65 1HG LYS 65 -11.076 -7.452 -15.232 480 HG3 LYS 65 2HG LYS 65 -9.364 -7.683 -15.643 481 HD2 LYS 65 1HD LYS 65 -9.267 -9.599 -14.068 482 HD3 LYS 65 2HD LYS 65 -11.001 -9.392 -13.737 483 HE2 LYS 65 1HE LYS 65 -11.492 -9.757 -16.142 484 HE3 LYS 65 2HE LYS 65 -9.759 -9.977 -16.457 485 HZ1 LYS 65 1HZ LYS 65 -9.804 -11.900 -14.981 486 HZ2 LYS 65 2HZ LYS 65 -10.886 -12.095 -16.211 487 HZ3 LYS 65 3HZ LYS 65 -11.416 -11.697 -14.699 488 H SER 66 H SER 66 -9.689 -3.153 -13.034 489 HA SER 66 HA SER 66 -12.435 -2.633 -13.913 490 HB2 SER 66 1HB SER 66 -11.686 -2.709 -10.950 491 HB3 SER 66 2HB SER 66 -13.217 -2.101 -11.617 492 HG SER 66 HG SER 66 -12.794 -4.546 -12.596 493 H GLU 67 H GLU 67 -12.768 -0.367 -13.894 494 HA GLU 67 HA GLU 67 -12.066 1.777 -14.309 495 HB2 GLU 67 1HB GLU 67 -10.775 1.415 -11.557 496 HB3 GLU 67 2HB GLU 67 -11.011 2.963 -12.371 497 HG2 GLU 67 1HG GLU 67 -13.496 2.522 -12.454 498 HG3 GLU 67 2HG GLU 67 -13.245 1.033 -11.539 Start of MODEL 13 1 HA ALA 1 HA ALA 1 11.796 14.282 20.422 2 HB1 ALA 1 1HB ALA 1 9.944 15.935 20.619 3 HB2 ALA 1 2HB ALA 1 10.764 17.004 19.464 4 HB3 ALA 1 3HB ALA 1 10.153 15.428 18.935 5 H TYR 2 H TYR 2 12.239 13.384 18.513 6 HA TYR 2 HA TYR 2 14.513 14.529 17.025 7 HB2 TYR 2 1HB TYR 2 14.402 12.095 17.674 8 HB3 TYR 2 2HB TYR 2 13.043 11.908 16.557 9 HD1 TYR 2 1HD TYR 2 16.593 13.214 16.612 10 HD2 TYR 2 2HD TYR 2 13.510 11.254 14.330 11 HE1 TYR 2 1HE TYR 2 18.181 12.921 14.714 12 HE2 TYR 2 2HE TYR 2 15.111 10.964 12.435 13 HH TYR 2 HH TYR 2 17.258 11.230 11.710 14 H ARG 3 H ARG 3 14.311 14.269 14.524 15 HA ARG 3 HA ARG 3 12.294 16.030 13.574 16 HB2 ARG 3 1HB ARG 3 13.851 13.937 12.021 17 HB3 ARG 3 2HB ARG 3 13.002 15.312 11.322 18 HG2 ARG 3 1HG ARG 3 14.538 16.854 12.521 19 HG3 ARG 3 2HG ARG 3 15.433 15.445 13.137 20 HD2 ARG 3 1HD ARG 3 15.906 14.732 10.817 21 HD3 ARG 3 2HD ARG 3 15.011 16.132 10.209 22 HE ARG 3 HE ARG 3 16.755 17.560 10.832 23 HH11 ARG 3 1HH1 ARG 3 17.541 14.263 11.866 24 HH12 ARG 3 2HH1 ARG 3 19.210 14.667 12.147 25 HH21 ARG 3 1HH2 ARG 3 18.887 17.982 11.234 26 HH22 ARG 3 2HH2 ARG 3 19.955 16.726 11.800 27 HA PRO 4 HA PRO 4 8.958 13.192 13.337 28 HB2 PRO 4 1HB PRO 4 7.194 14.496 11.747 29 HB3 PRO 4 2HB PRO 4 7.662 15.139 13.353 30 HG2 PRO 4 1HG PRO 4 8.722 15.881 10.638 31 HG3 PRO 4 2HG PRO 4 8.143 16.951 11.952 32 HD2 PRO 4 1HD PRO 4 10.785 16.392 11.544 33 HD3 PRO 4 2HD PRO 4 10.114 16.693 13.179 34 H SER 5 H SER 5 7.709 11.790 11.923 35 HA SER 5 HA SER 5 8.880 11.439 9.188 36 HB2 SER 5 1HB SER 5 9.572 9.602 10.707 37 HB3 SER 5 2HB SER 5 7.869 9.277 11.090 38 HG SER 5 HG SER 5 7.510 8.675 8.975 39 H GLU 6 H GLU 6 7.221 12.859 8.421 40 HA GLU 6 HA GLU 6 4.430 12.256 8.993 41 HB2 GLU 6 1HB GLU 6 3.924 14.086 7.558 42 HB3 GLU 6 2HB GLU 6 5.328 14.538 8.529 43 HG2 GLU 6 1HG GLU 6 6.801 14.056 6.593 44 HG3 GLU 6 2HG GLU 6 5.376 13.630 5.630 45 HE2 GLU 6 HE2 GLU 6 5.589 15.072 4.288 46 H THR 7 H THR 7 6.701 10.905 6.887 47 HA THR 7 HA THR 7 4.693 10.180 4.839 48 HB THR 7 HB THR 7 6.661 9.141 3.680 49 HG1 THR 7 1HG THR 7 8.672 9.403 4.545 50 HG21 THR 7 1HG2 THR 7 5.994 11.544 3.302 51 HG22 THR 7 2HG2 THR 7 7.710 11.199 3.003 52 HG23 THR 7 3HG2 THR 7 7.218 12.015 4.501 53 H LEU 8 H LEU 8 4.288 7.987 4.320 54 HA LEU 8 HA LEU 8 4.068 6.379 6.739 55 HB2 LEU 8 1HB LEU 8 2.258 6.677 5.083 56 HB3 LEU 8 2HB LEU 8 3.218 5.828 3.886 57 HG LEU 8 HG LEU 8 3.134 3.818 5.381 58 HD11 LEU 8 1HD1 LEU 8 1.075 5.500 6.871 59 HD12 LEU 8 2HD1 LEU 8 2.623 4.919 7.526 60 HD13 LEU 8 3HD1 LEU 8 1.347 3.761 7.105 61 HD21 LEU 8 1HD2 LEU 8 1.660 4.226 3.427 62 HD22 LEU 8 2HD2 LEU 8 0.462 4.964 4.516 63 HD23 LEU 8 3HD2 LEU 8 0.892 3.252 4.688 64 H CYS 9 H CYS 9 5.803 5.370 7.380 65 HA CYS 9 HA CYS 9 7.163 3.466 5.565 66 HB2 CYS 9 1HB CYS 9 8.127 5.955 5.550 67 HB3 CYS 9 2HB CYS 9 8.910 5.421 7.041 68 H GLY 10 H GLY 10 9.398 2.973 7.201 69 HA2 GLY 10 1HA GLY 10 10.057 1.922 9.132 70 HA3 GLY 10 2HA GLY 10 8.889 2.943 9.963 71 H GLY 11 H GLY 11 7.721 0.702 7.556 72 HA2 GLY 11 1HA GLY 11 6.928 -1.525 7.928 73 HA3 GLY 11 2HA GLY 11 6.982 -1.248 9.678 74 H GLU 12 H GLU 12 5.624 1.450 9.318 75 HA GLU 12 HA GLU 12 2.927 0.632 9.693 76 HB2 GLU 12 1HB GLU 12 3.977 3.308 8.717 77 HB3 GLU 12 2HB GLU 12 2.382 3.019 9.414 78 HG2 GLU 12 1HG GLU 12 3.354 2.517 11.574 79 HG3 GLU 12 2HG GLU 12 4.987 2.582 10.901 80 H LEU 13 H LEU 13 4.764 1.399 6.829 81 HA LEU 13 HA LEU 13 2.653 1.775 4.967 82 HB2 LEU 13 1HB LEU 13 5.014 2.286 4.531 83 HB3 LEU 13 2HB LEU 13 5.435 0.583 4.644 84 HG LEU 13 HG LEU 13 4.280 0.082 2.584 85 HD11 LEU 13 1HD1 LEU 13 3.444 2.996 2.608 86 HD12 LEU 13 2HD1 LEU 13 2.383 1.570 2.665 87 HD13 LEU 13 3HD1 LEU 13 3.309 1.920 1.199 88 HD21 LEU 13 1HD2 LEU 13 5.986 2.597 2.333 89 HD22 LEU 13 2HD2 LEU 13 5.674 1.410 1.043 90 HD23 LEU 13 3HD2 LEU 13 6.600 0.930 2.483 91 H VAL 14 H VAL 14 4.236 -1.173 6.216 92 HA VAL 14 HA VAL 14 2.957 -2.983 4.359 93 HB VAL 14 HB VAL 14 4.210 -3.500 7.116 94 HG11 VAL 14 1HG1 VAL 14 3.677 -5.476 4.875 95 HG12 VAL 14 2HG1 VAL 14 4.394 -5.820 6.464 96 HG13 VAL 14 3HG1 VAL 14 2.698 -5.328 6.353 97 HG21 VAL 14 1HG2 VAL 14 5.403 -3.789 4.327 98 HG22 VAL 14 2HG2 VAL 14 5.821 -2.526 5.511 99 HG23 VAL 14 3HG2 VAL 14 6.201 -4.220 5.855 100 H ASP 15 H ASP 15 2.324 -1.835 7.682 101 HA ASP 15 HA ASP 15 0.104 -3.538 8.206 102 HB2 ASP 15 1HB ASP 15 0.615 -0.714 9.218 103 HB3 ASP 15 2HB ASP 15 -0.430 -1.924 9.974 104 H THR 16 H THR 16 0.360 -0.295 6.755 105 HA THR 16 HA THR 16 -2.460 0.117 6.436 106 HB THR 16 HB THR 16 -0.180 1.241 4.752 107 HG1 THR 16 1HG THR 16 0.104 1.641 6.983 108 HG21 THR 16 1HG2 THR 16 -2.329 1.708 3.724 109 HG22 THR 16 2HG2 THR 16 -1.753 3.187 4.525 110 HG23 THR 16 3HG2 THR 16 -3.017 2.201 5.293 111 H LEU 17 H LEU 17 0.045 -1.344 4.325 112 HA LEU 17 HA LEU 17 -1.667 -1.699 2.059 113 HB2 LEU 17 1HB LEU 17 0.867 -2.980 3.052 114 HB3 LEU 17 2HB LEU 17 0.005 -3.689 1.694 115 HG LEU 17 HG LEU 17 0.704 -0.766 1.627 116 HD11 LEU 17 1HD1 LEU 17 2.832 -1.275 0.572 117 HD12 LEU 17 2HD1 LEU 17 2.566 -3.015 0.815 118 HD13 LEU 17 3HD1 LEU 17 2.787 -1.941 2.212 119 HD21 LEU 17 1HD2 LEU 17 -0.789 -1.810 -0.111 120 HD22 LEU 17 2HD2 LEU 17 0.554 -2.882 -0.567 121 HD23 LEU 17 3HD2 LEU 17 0.699 -1.121 -0.777 122 H GLN 18 H GLN 18 -1.109 -3.719 4.985 123 HA GLN 18 HA GLN 18 -2.720 -5.934 4.100 124 HB2 GLN 18 1HB GLN 18 -2.173 -4.821 6.878 125 HB3 GLN 18 2HB GLN 18 -3.084 -6.302 6.586 126 HG2 GLN 18 1HG GLN 18 -1.166 -7.376 5.635 127 HG3 GLN 18 2HG GLN 18 -0.235 -5.872 5.684 128 HE21 GLN 18 1HE2 GLN 18 1.131 -6.903 8.686 129 HE22 GLN 18 2HE2 GLN 18 1.364 -6.473 7.008 130 H PHE 19 H PHE 19 -3.521 -2.940 5.917 131 HA PHE 19 HA PHE 19 -6.253 -3.647 6.320 132 HB2 PHE 19 1HB PHE 19 -4.890 -1.922 7.549 133 HB3 PHE 19 2HB PHE 19 -5.080 -0.855 6.158 134 HD1 PHE 19 1HD PHE 19 -7.227 0.227 5.687 135 HD2 PHE 19 2HD PHE 19 -6.798 -2.518 8.977 136 HE1 PHE 19 1HE PHE 19 -9.418 0.983 6.598 137 HE2 PHE 19 2HE PHE 19 -8.986 -1.765 9.898 138 HZ PHE 19 HZ PHE 19 -10.303 -0.013 8.709 139 H VAL 20 H VAL 20 -4.724 -1.598 3.789 140 HA VAL 20 HA VAL 20 -7.243 -0.841 2.604 141 HB VAL 20 HB VAL 20 -4.385 -0.816 1.492 142 HG11 VAL 20 1HG1 VAL 20 -6.914 0.452 0.358 143 HG12 VAL 20 2HG1 VAL 20 -5.256 0.826 -0.178 144 HG13 VAL 20 3HG1 VAL 20 -5.914 -0.805 -0.401 145 HG21 VAL 20 1HG2 VAL 20 -6.151 1.390 2.661 146 HG22 VAL 20 2HG2 VAL 20 -4.707 0.685 3.424 147 HG23 VAL 20 3HG2 VAL 20 -4.544 1.641 1.937 148 H CYS 21 H CYS 21 -4.944 -3.512 1.939 149 HA CYS 21 HA CYS 21 -6.495 -4.233 -0.442 150 HB2 CYS 21 1HB CYS 21 -4.137 -5.621 0.840 151 HB3 CYS 21 2HB CYS 21 -4.782 -5.899 -0.786 152 H GLY 22 H GLY 22 -6.334 -5.262 2.910 153 HA2 GLY 22 1HA GLY 22 -7.762 -6.665 4.027 154 HA3 GLY 22 2HA GLY 22 -8.721 -6.807 2.549 155 H ASP 23 H ASP 23 -9.130 -8.936 2.650 156 HA ASP 23 HA ASP 23 -7.269 -10.983 3.338 157 HB2 ASP 23 1HB ASP 23 -8.983 -12.492 2.565 158 HB3 ASP 23 2HB ASP 23 -9.785 -11.137 3.377 159 H ARG 24 H ARG 24 -7.495 -9.117 0.529 160 HA ARG 24 HA ARG 24 -6.903 -11.208 -1.394 161 HB2 ARG 24 1HB ARG 24 -6.727 -8.193 -1.658 162 HB3 ARG 24 2HB ARG 24 -6.828 -9.365 -2.971 163 HG2 ARG 24 1HG ARG 24 -9.078 -10.083 -2.071 164 HG3 ARG 24 2HG ARG 24 -8.973 -8.757 -0.898 165 HD2 ARG 24 1HD ARG 24 -9.031 -8.511 -3.907 166 HD3 ARG 24 2HD ARG 24 -10.321 -8.079 -2.776 167 HE ARG 24 HE ARG 24 -8.605 -6.417 -1.821 168 HH11 ARG 24 1HH1 ARG 24 -8.566 -7.357 -5.248 169 HH12 ARG 24 2HH1 ARG 24 -7.831 -5.857 -5.733 170 HH21 ARG 24 1HH2 ARG 24 -7.719 -4.531 -2.533 171 HH22 ARG 24 2HH2 ARG 24 -7.372 -4.275 -4.224 172 H GLY 25 H GLY 25 -4.946 -9.111 0.613 173 HA2 GLY 25 1HA GLY 25 -2.659 -9.279 0.918 174 HA3 GLY 25 2HA GLY 25 -2.564 -10.424 -0.430 175 H PHE 26 H PHE 26 -0.591 -8.857 -0.483 176 HA PHE 26 HA PHE 26 -0.981 -6.986 -2.716 177 HB2 PHE 26 1HB PHE 26 -0.141 -5.053 -1.491 178 HB3 PHE 26 2HB PHE 26 -1.584 -5.674 -0.669 179 HD1 PHE 26 1HD PHE 26 2.101 -5.326 -0.468 180 HD2 PHE 26 2HD PHE 26 -1.463 -6.666 1.548 181 HE1 PHE 26 1HE PHE 26 3.375 -5.556 1.651 182 HE2 PHE 26 2HE PHE 26 -0.175 -6.889 3.659 183 HZ PHE 26 HZ PHE 26 2.240 -6.321 3.724 184 H TYR 27 H TYR 27 1.317 -5.991 -3.165 185 HA TYR 27 HA TYR 27 3.492 -7.559 -1.940 186 HB2 TYR 27 1HB TYR 27 4.483 -8.176 -4.103 187 HB3 TYR 27 2HB TYR 27 2.915 -8.949 -3.854 188 HD1 TYR 27 1HD TYR 27 4.825 -6.558 -5.902 189 HD2 TYR 27 2HD TYR 27 0.928 -8.239 -5.177 190 HE1 TYR 27 1HE TYR 27 4.030 -5.684 -8.100 191 HE2 TYR 27 2HE TYR 27 0.141 -7.352 -7.369 192 HH TYR 27 HH TYR 27 2.273 -5.515 -9.559 193 H PHE 28 H PHE 28 5.622 -6.642 -2.505 194 HA PHE 28 HA PHE 28 5.387 -3.692 -2.770 195 HB2 PHE 28 1HB PHE 28 7.339 -5.602 -1.557 196 HB3 PHE 28 2HB PHE 28 7.995 -4.114 -2.242 197 HD1 PHE 28 1HD PHE 28 5.218 -5.234 0.072 198 HD2 PHE 28 2HD PHE 28 8.134 -2.225 -0.911 199 HE1 PHE 28 1HE PHE 28 4.640 -3.984 2.147 200 HE2 PHE 28 2HE PHE 28 7.535 -0.969 1.155 201 HZ PHE 28 HZ PHE 28 5.793 -1.851 2.685 202 H SER 29 H SER 29 6.289 -2.592 -4.434 203 HA SER 29 HA SER 29 6.890 -3.990 -6.865 204 HB2 SER 29 1HB SER 29 7.883 -1.266 -6.816 205 HB3 SER 29 2HB SER 29 6.487 -1.938 -7.690 206 HG SER 29 HG SER 29 5.187 -1.500 -5.978 207 H ARG 30 H ARG 30 8.883 -2.956 -4.199 208 HA ARG 30 HA ARG 30 11.351 -3.196 -5.833 209 HB2 ARG 30 1HB ARG 30 12.529 -2.316 -3.883 210 HB3 ARG 30 2HB ARG 30 11.177 -1.274 -4.305 211 HG2 ARG 30 1HG ARG 30 10.949 -1.313 -2.036 212 HG3 ARG 30 2HG ARG 30 9.914 -2.684 -2.443 213 HD2 ARG 30 1HD ARG 30 11.863 -4.194 -2.028 214 HD3 ARG 30 2HD ARG 30 12.806 -2.803 -1.520 215 HE ARG 30 HE ARG 30 11.493 -2.647 0.450 216 HH11 ARG 30 1HH1 ARG 30 10.440 -5.372 -1.554 217 HH12 ARG 30 2HH1 ARG 30 9.569 -6.108 -0.228 218 HH21 ARG 30 1HH2 ARG 30 10.337 -3.643 2.064 219 HH22 ARG 30 2HH2 ARG 30 9.503 -5.139 1.761 220 HA PRO 31 HA PRO 31 11.800 -7.312 -4.547 221 HB2 PRO 31 1HB PRO 31 14.506 -7.749 -4.499 222 HB3 PRO 31 2HB PRO 31 13.596 -7.484 -6.027 223 HG2 PRO 31 1HG PRO 31 15.130 -5.475 -4.375 224 HG3 PRO 31 2HG PRO 31 15.260 -5.819 -6.131 225 HD2 PRO 31 1HD PRO 31 13.760 -3.776 -5.223 226 HD3 PRO 31 2HD PRO 31 13.199 -4.786 -6.600 227 H ALA 32 H ALA 32 11.955 -8.604 -2.739 228 HA ALA 32 HA ALA 32 12.399 -7.227 -0.216 229 HB1 ALA 32 1HB ALA 32 11.754 -9.402 0.780 230 HB2 ALA 32 2HB ALA 32 10.604 -8.926 -0.487 231 HB3 ALA 32 3HB ALA 32 11.832 -10.170 -0.824 232 H SER 33 H SER 33 14.474 -6.776 0.356 233 HA SER 33 HA SER 33 16.327 -9.035 0.670 234 HB2 SER 33 1HB SER 33 16.693 -8.127 -1.674 235 HB3 SER 33 2HB SER 33 17.147 -6.580 -0.929 236 HG SER 33 HG SER 33 18.477 -9.047 -0.943 237 H ARG 34 H ARG 34 18.200 -8.394 1.959 238 HA ARG 34 HA ARG 34 17.528 -6.570 4.108 239 HB2 ARG 34 1HB ARG 34 19.282 -8.681 3.716 240 HB3 ARG 34 2HB ARG 34 20.376 -7.298 3.761 241 HG2 ARG 34 1HG ARG 34 18.273 -7.761 5.882 242 HG3 ARG 34 2HG ARG 34 19.869 -8.524 5.955 243 HD2 ARG 34 1HD ARG 34 20.916 -6.251 5.835 244 HD3 ARG 34 2HD ARG 34 19.296 -5.540 5.936 245 HE ARG 34 HE ARG 34 19.602 -7.337 8.103 246 HH11 ARG 34 1HH1 ARG 34 20.942 -4.240 7.061 247 HH12 ARG 34 2HH1 ARG 34 21.293 -3.739 8.693 248 HH21 ARG 34 1HH2 ARG 34 20.068 -6.623 10.159 249 HH22 ARG 34 2HH2 ARG 34 20.811 -5.070 10.411 250 H VAL 35 H VAL 35 19.084 -6.262 1.056 251 HA VAL 35 HA VAL 35 20.144 -3.576 1.799 252 HB VAL 35 HB VAL 35 21.603 -3.749 -0.202 253 HG11 VAL 35 1HG1 VAL 35 22.417 -4.506 2.020 254 HG12 VAL 35 2HG1 VAL 35 21.894 -6.165 1.641 255 HG13 VAL 35 3HG1 VAL 35 23.186 -5.395 0.690 256 HG21 VAL 35 1HG2 VAL 35 21.846 -5.860 -1.432 257 HG22 VAL 35 2HG2 VAL 35 20.576 -6.619 -0.451 258 HG23 VAL 35 3HG2 VAL 35 20.169 -5.291 -1.563 259 H SER 36 H SER 36 19.974 -1.901 0.169 260 HA SER 36 HA SER 36 17.359 -2.040 -1.233 261 HB2 SER 36 1HB SER 36 17.629 -0.160 0.343 262 HB3 SER 36 2HB SER 36 19.132 0.320 -0.477 263 HG SER 36 HG SER 36 17.202 1.486 -1.137 264 H ARG 37 H ARG 37 17.261 -1.519 -3.407 265 HA ARG 37 HA ARG 37 19.885 -1.351 -4.846 266 HB2 ARG 37 1HB ARG 37 17.425 -2.997 -5.532 267 HB3 ARG 37 2HB ARG 37 18.782 -2.737 -6.641 268 HG2 ARG 37 1HG ARG 37 19.143 -4.008 -3.887 269 HG3 ARG 37 2HG ARG 37 18.784 -4.941 -5.357 270 HD2 ARG 37 1HD ARG 37 20.814 -3.833 -6.425 271 HD3 ARG 37 2HD ARG 37 21.225 -3.207 -4.817 272 HE ARG 37 HE ARG 37 20.816 -6.002 -4.599 273 HH11 ARG 37 1HH1 ARG 37 23.141 -3.829 -6.130 274 HH12 ARG 37 2HH1 ARG 37 24.424 -5.005 -6.067 275 HH21 ARG 37 1HH2 ARG 37 22.511 -7.456 -4.555 276 HH22 ARG 37 2HH2 ARG 37 24.069 -7.013 -5.196 277 H ARG 38 H ARG 38 18.212 0.745 -3.905 278 HA ARG 38 HA ARG 38 16.932 2.559 -4.540 279 HB2 ARG 38 1HB ARG 38 18.054 3.918 -6.213 280 HB3 ARG 38 2HB ARG 38 19.144 3.249 -5.007 281 HG2 ARG 38 1HG ARG 38 20.088 1.700 -6.562 282 HG3 ARG 38 2HG ARG 38 18.827 2.052 -7.770 283 HD2 ARG 38 1HD ARG 38 19.551 4.330 -7.938 284 HD3 ARG 38 2HD ARG 38 20.732 4.084 -6.647 285 HE ARG 38 HE ARG 38 22.172 3.016 -8.120 286 HH11 ARG 38 1HH1 ARG 38 19.101 3.575 -9.772 287 HH12 ARG 38 2HH1 ARG 38 19.771 3.210 -11.338 288 HH21 ARG 38 1HH2 ARG 38 22.954 2.551 -10.151 289 HH22 ARG 38 2HH2 ARG 38 21.912 2.632 -11.541 290 H SER 39 H SER 39 15.505 0.511 -5.261 291 HA SER 39 HA SER 39 14.604 0.776 -8.034 292 HB2 SER 39 1HB SER 39 13.297 -0.940 -5.935 293 HB3 SER 39 2HB SER 39 13.528 -1.260 -7.670 294 HG SER 39 HG SER 39 15.882 -1.244 -7.062 295 H ARG 40 H ARG 40 12.871 1.952 -8.643 296 HA ARG 40 HA ARG 40 11.423 3.601 -6.787 297 HB2 ARG 40 1HB ARG 40 10.154 4.329 -8.686 298 HB3 ARG 40 2HB ARG 40 11.845 4.193 -9.171 299 HG2 ARG 40 1HG ARG 40 11.356 2.073 -10.327 300 HG3 ARG 40 2HG ARG 40 9.669 2.149 -9.779 301 HD2 ARG 40 1HD ARG 40 9.416 4.326 -10.962 302 HD3 ARG 40 2HD ARG 40 11.064 4.143 -11.599 303 HE ARG 40 HE ARG 40 9.606 1.802 -12.237 304 HH11 ARG 40 1HH1 ARG 40 9.552 5.215 -13.125 305 HH12 ARG 40 2HH1 ARG 40 8.877 4.887 -14.699 306 HH21 ARG 40 1HH2 ARG 40 8.745 1.460 -14.263 307 HH22 ARG 40 2HH2 ARG 40 8.432 2.803 -15.328 308 H GLY 41 H GLY 41 8.994 3.611 -6.612 309 HA2 GLY 41 1HA GLY 41 7.128 1.862 -7.279 310 HA3 GLY 41 2HA GLY 41 8.063 0.826 -6.191 311 H ILE 42 H ILE 42 6.147 0.624 -4.947 312 HA ILE 42 HA ILE 42 4.664 2.652 -3.769 313 HB ILE 42 HB ILE 42 4.072 0.241 -3.679 314 HG12 ILE 42 1HG1 ILE 42 3.475 0.095 -1.191 315 HG13 ILE 42 2HG1 ILE 42 4.267 1.648 -0.995 316 HG21 ILE 42 1HG2 ILE 42 6.378 -0.646 -3.201 317 HG22 ILE 42 2HG2 ILE 42 6.214 -0.072 -1.524 318 HG23 ILE 42 3HG2 ILE 42 5.122 -1.327 -2.145 319 HD11 ILE 42 1HD1 ILE 42 1.887 1.978 -1.206 320 HD12 ILE 42 2HD1 ILE 42 2.665 2.610 -2.671 321 HD13 ILE 42 3HD1 ILE 42 1.842 1.032 -2.701 322 H VAL 43 H VAL 43 7.883 1.522 -2.674 323 HA VAL 43 HA VAL 43 7.762 2.917 -0.170 324 HB VAL 43 HB VAL 43 10.198 2.111 -1.834 325 HG11 VAL 43 1HG1 VAL 43 9.987 2.918 1.108 326 HG12 VAL 43 2HG1 VAL 43 11.446 2.285 0.311 327 HG13 VAL 43 3HG1 VAL 43 10.785 3.854 -0.177 328 HG21 VAL 43 1HG2 VAL 43 8.832 0.176 -1.208 329 HG22 VAL 43 2HG2 VAL 43 10.314 0.201 -0.236 330 HG23 VAL 43 3HG2 VAL 43 8.775 0.733 0.481 331 H GLU 44 H GLU 44 8.985 3.848 -3.428 332 HA GLU 44 HA GLU 44 10.040 6.364 -2.545 333 HB2 GLU 44 1HB GLU 44 9.671 4.930 -5.009 334 HB3 GLU 44 2HB GLU 44 9.120 6.607 -5.202 335 HG2 GLU 44 1HG GLU 44 11.263 7.398 -4.285 336 HG3 GLU 44 2HG GLU 44 11.812 5.712 -4.156 337 H GLU 45 H GLU 45 6.879 5.264 -3.665 338 HA GLU 45 HA GLU 45 5.804 7.928 -3.833 339 HB2 GLU 45 1HB GLU 45 4.643 5.151 -3.824 340 HB3 GLU 45 2HB GLU 45 3.618 6.589 -3.849 341 HG2 GLU 45 1HG GLU 45 3.972 6.941 -6.030 342 HG3 GLU 45 2HG GLU 45 5.729 6.809 -5.837 343 H CYS 46 H CYS 46 5.753 5.441 -1.236 344 HA CYS 46 HA CYS 46 4.047 7.289 0.341 345 HB2 CYS 46 1HB CYS 46 4.749 4.386 0.793 346 HB3 CYS 46 2HB CYS 46 3.693 5.346 1.808 347 H CYS 47 H CYS 47 7.326 6.077 0.420 348 HA CYS 47 HA CYS 47 7.561 6.938 3.276 349 HB2 CYS 47 1HB CYS 47 8.327 4.663 2.715 350 HB3 CYS 47 2HB CYS 47 9.435 5.330 1.516 351 H PHE 48 H PHE 48 8.866 7.495 0.000 352 HA PHE 48 HA PHE 48 10.611 9.640 1.062 353 HB2 PHE 48 1HB PHE 48 10.265 8.413 -1.680 354 HB3 PHE 48 2HB PHE 48 11.262 9.824 -1.379 355 HD1 PHE 48 1HD PHE 48 13.368 9.687 -0.203 356 HD2 PHE 48 2HD PHE 48 10.943 6.177 -0.780 357 HE1 PHE 48 1HE PHE 48 15.296 8.252 0.434 358 HE2 PHE 48 2HE PHE 48 12.873 4.743 -0.173 359 HZ PHE 48 HZ PHE 48 15.055 5.771 0.448 360 H ARG 49 H ARG 49 7.568 9.168 -0.564 361 HA ARG 49 HA ARG 49 7.062 12.102 -0.223 362 HB2 ARG 49 1HB ARG 49 6.014 10.292 -2.431 363 HB3 ARG 49 2HB ARG 49 5.345 11.881 -2.042 364 HG2 ARG 49 1HG ARG 49 7.664 12.809 -2.389 365 HG3 ARG 49 2HG ARG 49 8.085 11.238 -3.101 366 HD2 ARG 49 1HD ARG 49 5.910 13.148 -4.045 367 HD3 ARG 49 2HD ARG 49 7.460 12.856 -4.842 368 HE ARG 49 HE ARG 49 6.725 10.610 -5.392 369 HH11 ARG 49 1HH1 ARG 49 4.132 12.728 -4.254 370 HH12 ARG 49 2HH1 ARG 49 2.888 11.746 -4.977 371 HH21 ARG 49 1HH2 ARG 49 5.077 9.427 -6.298 372 HH22 ARG 49 2HH2 ARG 49 3.416 9.923 -6.116 373 H SER 50 H SER 50 4.535 12.353 -0.000 374 HA SER 50 HA SER 50 3.920 10.766 2.336 375 HB2 SER 50 1HB SER 50 2.133 12.776 0.941 376 HB3 SER 50 2HB SER 50 2.109 12.295 2.652 377 HG SER 50 HG SER 50 3.216 14.252 2.400 378 H CYS 51 H CYS 51 3.137 10.163 -0.908 379 HA CYS 51 HA CYS 51 1.730 8.749 -1.977 380 HB2 CYS 51 1HB CYS 51 2.090 7.534 0.586 381 HB3 CYS 51 2HB CYS 51 0.446 7.231 0.057 382 H ASP 52 H ASP 52 -0.654 7.632 -1.636 383 HA ASP 52 HA ASP 52 -2.620 9.597 -0.654 384 HB2 ASP 52 1HB ASP 52 -1.867 9.448 -3.430 385 HB3 ASP 52 2HB ASP 52 -3.442 8.683 -3.263 386 H LEU 53 H LEU 53 -4.656 8.464 -0.352 387 HA LEU 53 HA LEU 53 -4.353 5.681 0.254 388 HB2 LEU 53 1HB LEU 53 -5.988 7.167 1.356 389 HB3 LEU 53 2HB LEU 53 -6.862 7.339 -0.166 390 HG LEU 53 HG LEU 53 -7.437 4.935 -0.120 391 HD11 LEU 53 1HD1 LEU 53 -6.082 4.963 2.611 392 HD12 LEU 53 2HD1 LEU 53 -5.603 4.002 1.188 393 HD13 LEU 53 3HD1 LEU 53 -7.138 3.666 2.005 394 HD21 LEU 53 1HD2 LEU 53 -8.953 6.628 0.802 395 HD22 LEU 53 2HD2 LEU 53 -8.178 6.469 2.397 396 HD23 LEU 53 3HD2 LEU 53 -9.078 5.101 1.697 397 H ALA 54 H ALA 54 -5.789 7.368 -2.541 398 HA ALA 54 HA ALA 54 -6.902 4.994 -3.734 399 HB1 ALA 54 1HB ALA 54 -7.076 6.411 -5.773 400 HB2 ALA 54 2HB ALA 54 -7.684 7.266 -4.337 401 HB3 ALA 54 3HB ALA 54 -6.073 7.656 -4.996 402 H LEU 55 H LEU 55 -3.824 6.700 -4.014 403 HA LEU 55 HA LEU 55 -2.706 5.151 -6.136 404 HB2 LEU 55 1HB LEU 55 -1.688 7.201 -5.625 405 HB3 LEU 55 2HB LEU 55 -1.719 6.893 -3.902 406 HG LEU 55 HG LEU 55 0.133 5.320 -4.089 407 HD11 LEU 55 1HD1 LEU 55 -0.087 4.448 -6.312 408 HD12 LEU 55 2HD1 LEU 55 1.459 5.295 -6.212 409 HD13 LEU 55 3HD1 LEU 55 0.082 6.069 -7.032 410 HD21 LEU 55 1HD2 LEU 55 0.481 8.093 -5.277 411 HD22 LEU 55 2HD2 LEU 55 1.809 7.079 -4.683 412 HD23 LEU 55 3HD2 LEU 55 0.551 7.612 -3.563 413 H LEU 56 H LEU 56 -2.578 4.841 -2.559 414 HA LEU 56 HA LEU 56 -0.740 2.694 -2.542 415 HB2 LEU 56 1HB LEU 56 -1.596 4.229 -0.678 416 HB3 LEU 56 2HB LEU 56 -2.933 3.104 -0.500 417 HG LEU 56 HG LEU 56 -0.101 2.090 -0.399 418 HD11 LEU 56 1HD1 LEU 56 -1.567 3.503 1.852 419 HD12 LEU 56 2HD1 LEU 56 -0.097 4.062 1.025 420 HD13 LEU 56 3HD1 LEU 56 -0.046 2.592 2.022 421 HD21 LEU 56 1HD2 LEU 56 -2.666 1.306 1.019 422 HD22 LEU 56 2HD2 LEU 56 -1.091 0.557 1.305 423 HD23 LEU 56 3HD2 LEU 56 -1.861 0.412 -0.281 424 H GLU 57 H GLU 57 -4.260 2.750 -2.845 425 HA GLU 57 HA GLU 57 -4.766 -0.017 -2.514 426 HB2 GLU 57 1HB GLU 57 -6.355 1.970 -2.594 427 HB3 GLU 57 2HB GLU 57 -6.257 1.881 -4.356 428 HG2 GLU 57 1HG GLU 57 -7.252 -0.295 -4.374 429 HG3 GLU 57 2HG GLU 57 -7.102 -0.435 -2.618 430 HE2 GLU 57 HE2 GLU 57 -10.075 0.935 -2.077 431 H THR 58 H THR 58 -3.354 1.650 -5.271 432 HA THR 58 HA THR 58 -4.146 -0.332 -7.212 433 HB THR 58 HB THR 58 -2.612 0.759 -8.740 434 HG1 THR 58 1HG THR 58 -1.649 2.209 -6.464 435 HG21 THR 58 1HG2 THR 58 -3.461 3.023 -8.655 436 HG22 THR 58 2HG2 THR 58 -3.788 2.900 -6.914 437 HG23 THR 58 3HG2 THR 58 -4.752 1.950 -8.065 438 H TYR 59 H TYR 59 -1.787 -0.438 -4.728 439 HA TYR 59 HA TYR 59 -0.121 -2.405 -6.210 440 HB2 TYR 59 1HB TYR 59 0.214 -0.957 -3.569 441 HB3 TYR 59 2HB TYR 59 1.263 -2.291 -4.075 442 HD1 TYR 59 1HD TYR 59 0.365 1.243 -4.694 443 HD2 TYR 59 2HD TYR 59 2.748 -2.082 -6.035 444 HE1 TYR 59 1HE TYR 59 1.743 2.779 -6.082 445 HE2 TYR 59 2HE TYR 59 4.115 -0.530 -7.436 446 HH TYR 59 HH TYR 59 4.363 1.598 -8.196 447 H CYS 60 H CYS 60 -2.980 -2.638 -4.757 448 HA CYS 60 HA CYS 60 -2.515 -4.918 -2.999 449 HB2 CYS 60 1HB CYS 60 -5.010 -3.885 -4.384 450 HB3 CYS 60 2HB CYS 60 -4.975 -5.172 -3.167 451 H ALA 61 H ALA 61 -3.207 -7.101 -3.453 452 HA ALA 61 HA ALA 61 -2.677 -7.836 -6.277 453 HB1 ALA 61 1HB ALA 61 -1.401 -8.973 -4.479 454 HB2 ALA 61 2HB ALA 61 -2.931 -9.548 -3.766 455 HB3 ALA 61 3HB ALA 61 -2.429 -10.115 -5.375 456 H THR 62 H THR 62 -3.932 -9.645 -7.130 457 HA THR 62 HA THR 62 -5.784 -10.656 -7.899 458 HB THR 62 HB THR 62 -7.570 -11.343 -6.509 459 HG1 THR 62 1HG THR 62 -6.923 -9.053 -4.969 460 HG21 THR 62 1HG2 THR 62 -5.320 -10.874 -4.529 461 HG22 THR 62 2HG2 THR 62 -5.313 -12.173 -5.748 462 HG23 THR 62 3HG2 THR 62 -6.557 -12.140 -4.481 463 HA PRO 63 HA PRO 63 -8.176 -7.535 -9.741 464 HB2 PRO 63 1HB PRO 63 -10.416 -8.779 -10.670 465 HB3 PRO 63 2HB PRO 63 -8.788 -9.136 -11.337 466 HG2 PRO 63 1HG PRO 63 -10.324 -10.620 -9.216 467 HG3 PRO 63 2HG PRO 63 -9.576 -11.258 -10.719 468 HD2 PRO 63 1HD PRO 63 -8.301 -11.404 -8.352 469 HD3 PRO 63 2HD PRO 63 -7.400 -11.042 -9.860 470 H ALA 64 H ALA 64 -10.276 -6.342 -9.705 471 HA ALA 64 HA ALA 64 -11.199 -5.923 -7.022 472 HB1 ALA 64 1HB ALA 64 -12.819 -4.381 -8.081 473 HB2 ALA 64 2HB ALA 64 -11.204 -4.153 -8.783 474 HB3 ALA 64 3HB ALA 64 -12.448 -5.062 -9.679 475 H LYS 65 H LYS 65 -13.044 -6.627 -6.004 476 HA LYS 65 HA LYS 65 -14.315 -9.039 -7.143 477 HB2 LYS 65 1HB LYS 65 -14.489 -7.690 -4.420 478 HB3 LYS 65 2HB LYS 65 -15.339 -9.177 -4.849 479 HG2 LYS 65 1HG LYS 65 -13.202 -10.320 -5.241 480 HG3 LYS 65 2HG LYS 65 -12.313 -8.841 -4.837 481 HD2 LYS 65 1HD LYS 65 -13.244 -8.872 -2.567 482 HD3 LYS 65 2HD LYS 65 -14.201 -10.315 -2.963 483 HE2 LYS 65 1HE LYS 65 -12.168 -11.625 -3.310 484 HE3 LYS 65 2HE LYS 65 -11.163 -10.185 -3.056 485 HZ1 LYS 65 1HZ LYS 65 -12.956 -11.348 -1.005 486 HZ2 LYS 65 2HZ LYS 65 -11.927 -10.080 -0.783 487 HZ3 LYS 65 3HZ LYS 65 -11.324 -11.582 -1.053 488 H SER 66 H SER 66 -14.848 -5.926 -7.715 489 HA SER 66 HA SER 66 -17.709 -6.274 -8.169 490 HB2 SER 66 1HB SER 66 -18.295 -4.196 -6.927 491 HB3 SER 66 2HB SER 66 -17.688 -5.465 -5.840 492 HG SER 66 HG SER 66 -16.265 -3.211 -6.837 493 H GLU 67 H GLU 67 -18.498 -4.544 -9.520 494 HA GLU 67 HA GLU 67 -16.511 -3.476 -11.365 495 HB2 GLU 67 1HB GLU 67 -19.472 -3.689 -11.239 496 HB3 GLU 67 2HB GLU 67 -18.933 -2.149 -11.904 497 HG2 GLU 67 1HG GLU 67 -19.137 -3.684 -13.772 498 HG3 GLU 67 2HG GLU 67 -17.414 -3.408 -13.503 Start of MODEL 14 1 HA ALA 1 HA ALA 1 -4.614 25.816 4.102 2 HB1 ALA 1 1HB ALA 1 -4.568 24.523 6.192 3 HB2 ALA 1 2HB ALA 1 -6.260 24.853 5.808 4 HB3 ALA 1 3HB ALA 1 -5.577 23.248 5.482 5 H TYR 2 H TYR 2 -2.772 24.279 5.217 6 HA TYR 2 HA TYR 2 -1.315 23.265 2.906 7 HB2 TYR 2 1HB TYR 2 -0.381 24.474 4.971 8 HB3 TYR 2 2HB TYR 2 -0.522 22.929 5.810 9 HD1 TYR 2 1HD TYR 2 0.989 24.563 2.770 10 HD2 TYR 2 2HD TYR 2 1.246 21.330 5.602 11 HE1 TYR 2 1HE TYR 2 3.186 23.881 1.804 12 HE2 TYR 2 2HE TYR 2 3.444 20.662 4.627 13 HH TYR 2 HH TYR 2 4.937 22.416 1.903 14 H ARG 3 H ARG 3 -0.374 21.066 2.869 15 HA ARG 3 HA ARG 3 -2.343 19.081 3.927 16 HB2 ARG 3 1HB ARG 3 -0.676 19.034 1.403 17 HB3 ARG 3 2HB ARG 3 -1.696 17.718 1.953 18 HG2 ARG 3 1HG ARG 3 -3.692 19.105 1.721 19 HG3 ARG 3 2HG ARG 3 -2.699 20.495 1.241 20 HD2 ARG 3 1HD ARG 3 -1.890 19.228 -0.724 21 HD3 ARG 3 2HD ARG 3 -2.926 17.864 -0.269 22 HE ARG 3 HE ARG 3 -3.767 20.469 -1.384 23 HH11 ARG 3 1HH1 ARG 3 -4.815 17.358 -0.069 24 HH12 ARG 3 2HH1 ARG 3 -6.430 17.539 -0.695 25 HH21 ARG 3 1HH2 ARG 3 -5.848 20.626 -2.136 26 HH22 ARG 3 2HH2 ARG 3 -6.997 19.348 -1.852 27 HA PRO 4 HA PRO 4 1.160 17.429 5.941 28 HB2 PRO 4 1HB PRO 4 0.343 14.940 6.647 29 HB3 PRO 4 2HB PRO 4 -0.440 16.411 7.316 30 HG2 PRO 4 1HG PRO 4 -1.323 14.661 5.039 31 HG3 PRO 4 2HG PRO 4 -2.272 15.265 6.432 32 HD2 PRO 4 1HD PRO 4 -2.284 16.453 3.954 33 HD3 PRO 4 2HD PRO 4 -2.528 17.380 5.469 34 H SER 5 H SER 5 2.880 15.892 5.824 35 HA SER 5 HA SER 5 3.014 14.280 3.305 36 HB2 SER 5 1HB SER 5 5.262 15.680 4.819 37 HB3 SER 5 2HB SER 5 5.474 14.601 3.422 38 HG SER 5 HG SER 5 3.840 16.920 3.341 39 H GLU 6 H GLU 6 2.028 12.578 4.440 40 HA GLU 6 HA GLU 6 2.656 11.937 7.114 41 HB2 GLU 6 1HB GLU 6 1.347 9.932 6.790 42 HB3 GLU 6 2HB GLU 6 0.551 11.331 6.070 43 HG2 GLU 6 1HG GLU 6 1.181 10.585 3.814 44 HG3 GLU 6 2HG GLU 6 2.106 9.236 4.492 45 HE2 GLU 6 HE2 GLU 6 0.049 9.115 2.722 46 H THR 7 H THR 7 4.430 11.000 4.292 47 HA THR 7 HA THR 7 5.869 9.247 3.878 48 HB THR 7 HB THR 7 7.810 9.271 5.506 49 HG1 THR 7 1HG THR 7 6.348 10.270 7.174 50 HG21 THR 7 1HG2 THR 7 7.479 10.490 3.334 51 HG22 THR 7 2HG2 THR 7 8.577 11.286 4.492 52 HG23 THR 7 3HG2 THR 7 6.912 11.884 4.291 53 H LEU 8 H LEU 8 4.249 7.808 4.145 54 HA LEU 8 HA LEU 8 3.944 6.221 6.564 55 HB2 LEU 8 1HB LEU 8 2.130 6.664 4.937 56 HB3 LEU 8 2HB LEU 8 2.987 5.735 3.728 57 HG LEU 8 HG LEU 8 2.728 3.745 5.228 58 HD11 LEU 8 1HD1 LEU 8 0.855 5.620 6.731 59 HD12 LEU 8 2HD1 LEU 8 2.341 4.884 7.374 60 HD13 LEU 8 3HD1 LEU 8 0.950 3.862 6.961 61 HD21 LEU 8 1HD2 LEU 8 1.276 4.282 3.279 62 HD22 LEU 8 2HD2 LEU 8 0.170 5.145 4.376 63 HD23 LEU 8 3HD2 LEU 8 0.423 3.398 4.552 64 H CYS 9 H CYS 9 5.474 4.916 7.189 65 HA CYS 9 HA CYS 9 6.975 3.329 5.160 66 HB2 CYS 9 1HB CYS 9 7.955 5.635 6.065 67 HB3 CYS 9 2HB CYS 9 8.429 4.630 7.438 68 H GLY 10 H GLY 10 8.456 1.709 6.169 69 HA2 GLY 10 1HA GLY 10 8.854 -0.043 7.615 70 HA3 GLY 10 2HA GLY 10 8.198 0.981 8.902 71 H GLY 11 H GLY 11 7.046 -0.559 9.977 72 HA2 GLY 11 1HA GLY 11 5.339 -2.451 8.691 73 HA3 GLY 11 2HA GLY 11 5.298 -1.991 10.400 74 H GLU 12 H GLU 12 4.847 0.939 9.509 75 HA GLU 12 HA GLU 12 1.987 0.843 9.719 76 HB2 GLU 12 1HB GLU 12 3.763 3.107 8.737 77 HB3 GLU 12 2HB GLU 12 2.086 3.259 9.272 78 HG2 GLU 12 1HG GLU 12 2.729 2.603 11.547 79 HG3 GLU 12 2HG GLU 12 4.407 2.373 11.026 80 H LEU 13 H LEU 13 4.237 1.117 6.978 81 HA LEU 13 HA LEU 13 2.240 1.770 5.014 82 HB2 LEU 13 1HB LEU 13 4.655 2.094 4.666 83 HB3 LEU 13 2HB LEU 13 4.929 0.359 4.772 84 HG LEU 13 HG LEU 13 3.753 -0.020 2.683 85 HD11 LEU 13 1HD1 LEU 13 3.270 2.978 2.700 86 HD12 LEU 13 2HD1 LEU 13 2.043 1.687 2.730 87 HD13 LEU 13 3HD1 LEU 13 3.035 1.930 1.286 88 HD21 LEU 13 1HD2 LEU 13 5.335 1.097 1.182 89 HD22 LEU 13 2HD2 LEU 13 6.163 0.561 2.659 90 HD23 LEU 13 3HD2 LEU 13 5.739 2.279 2.450 91 H VAL 14 H VAL 14 3.653 -1.276 6.209 92 HA VAL 14 HA VAL 14 2.253 -2.993 4.384 93 HB VAL 14 HB VAL 14 3.464 -3.574 7.132 94 HG11 VAL 14 1HG1 VAL 14 2.559 -5.462 4.923 95 HG12 VAL 14 2HG1 VAL 14 3.551 -5.946 6.318 96 HG13 VAL 14 3HG1 VAL 14 1.905 -5.343 6.570 97 HG21 VAL 14 1HG2 VAL 14 5.388 -4.446 5.828 98 HG22 VAL 14 2HG2 VAL 14 4.591 -3.943 4.319 99 HG23 VAL 14 3HG2 VAL 14 5.123 -2.723 5.503 100 H ASP 15 H ASP 15 1.536 -1.794 7.671 101 HA ASP 15 HA ASP 15 -0.810 -3.370 8.092 102 HB2 ASP 15 1HB ASP 15 0.485 -2.035 9.805 103 HB3 ASP 15 2HB ASP 15 -0.228 -0.568 9.120 104 H THR 16 H THR 16 -0.325 -0.101 6.690 105 HA THR 16 HA THR 16 -3.090 0.425 6.229 106 HB THR 16 HB THR 16 -0.722 1.383 4.558 107 HG1 THR 16 1HG THR 16 -0.461 1.853 6.783 108 HG21 THR 16 1HG2 THR 16 -3.511 2.523 5.035 109 HG22 THR 16 2HG2 THR 16 -2.867 1.902 3.494 110 HG23 THR 16 3HG2 THR 16 -2.191 3.380 4.210 111 H LEU 17 H LEU 17 -0.614 -1.217 4.197 112 HA LEU 17 HA LEU 17 -2.288 -1.513 1.899 113 HB2 LEU 17 1HB LEU 17 0.059 -3.069 2.988 114 HB3 LEU 17 2HB LEU 17 -0.775 -3.570 1.527 115 HG LEU 17 HG LEU 17 0.244 -0.756 1.710 116 HD11 LEU 17 1HD1 LEU 17 2.390 -1.479 0.762 117 HD12 LEU 17 2HD1 LEU 17 1.917 -3.178 0.988 118 HD13 LEU 17 3HD1 LEU 17 2.142 -2.116 2.395 119 HD21 LEU 17 1HD2 LEU 17 -1.193 -1.581 -0.214 120 HD22 LEU 17 2HD2 LEU 17 0.118 -2.700 -0.630 121 HD23 LEU 17 3HD2 LEU 17 0.392 -0.946 -0.694 122 H GLN 18 H GLN 18 -1.980 -3.476 4.878 123 HA GLN 18 HA GLN 18 -3.799 -5.523 3.926 124 HB2 GLN 18 1HB GLN 18 -2.876 -4.765 6.712 125 HB3 GLN 18 2HB GLN 18 -3.938 -6.137 6.352 126 HG2 GLN 18 1HG GLN 18 -2.214 -7.035 4.841 127 HG3 GLN 18 2HG GLN 18 -1.136 -5.727 5.314 128 HE21 GLN 18 1HE2 GLN 18 0.072 -7.428 8.035 129 HE22 GLN 18 2HE2 GLN 18 0.262 -6.210 6.790 130 H PHE 19 H PHE 19 -4.222 -2.474 5.743 131 HA PHE 19 HA PHE 19 -6.985 -2.921 6.390 132 HB2 PHE 19 1HB PHE 19 -5.542 -1.153 7.387 133 HB3 PHE 19 2HB PHE 19 -5.514 -0.315 5.834 134 HD1 PHE 19 1HD PHE 19 -7.644 -1.271 8.713 135 HD2 PHE 19 2HD PHE 19 -7.390 1.000 5.067 136 HE1 PHE 19 1HE PHE 19 -9.747 -0.079 9.317 137 HE2 PHE 19 2HE PHE 19 -9.488 2.203 5.662 138 HZ PHE 19 HZ PHE 19 -10.679 1.658 7.786 139 H VAL 20 H VAL 20 -5.327 -1.597 3.538 140 HA VAL 20 HA VAL 20 -7.764 -0.759 2.225 141 HB VAL 20 HB VAL 20 -4.891 -1.120 1.250 142 HG11 VAL 20 1HG1 VAL 20 -5.549 0.273 -0.699 143 HG12 VAL 20 2HG1 VAL 20 -6.301 -1.338 -0.716 144 HG13 VAL 20 3HG1 VAL 20 -7.260 0.083 -0.229 145 HG21 VAL 20 1HG2 VAL 20 -4.942 1.377 1.273 146 HG22 VAL 20 2HG2 VAL 20 -6.589 1.313 1.933 147 HG23 VAL 20 3HG2 VAL 20 -5.229 0.682 2.874 148 H CYS 21 H CYS 21 -5.693 -3.686 1.875 149 HA CYS 21 HA CYS 21 -7.994 -4.896 0.392 150 HB2 CYS 21 1HB CYS 21 -5.218 -4.468 -0.612 151 HB3 CYS 21 2HB CYS 21 -6.062 -5.949 -1.069 152 H GLY 22 H GLY 22 -5.798 -5.523 2.898 153 HA2 GLY 22 1HA GLY 22 -6.004 -7.531 4.163 154 HA3 GLY 22 2HA GLY 22 -6.471 -8.416 2.708 155 H ASP 23 H ASP 23 -4.626 -9.621 4.269 156 HA ASP 23 HA ASP 23 -1.930 -8.810 3.905 157 HB2 ASP 23 1HB ASP 23 -1.320 -10.958 4.808 158 HB3 ASP 23 2HB ASP 23 -2.736 -10.349 5.680 159 H ARG 24 H ARG 24 -3.763 -11.301 2.103 160 HA ARG 24 HA ARG 24 -1.554 -11.659 0.182 161 HB2 ARG 24 1HB ARG 24 -4.416 -12.632 0.154 162 HB3 ARG 24 2HB ARG 24 -3.142 -13.176 -0.939 163 HG2 ARG 24 1HG ARG 24 -1.965 -14.301 0.789 164 HG3 ARG 24 2HG ARG 24 -2.885 -13.493 2.064 165 HD2 ARG 24 1HD ARG 24 -4.109 -15.394 0.064 166 HD3 ARG 24 2HD ARG 24 -3.538 -15.870 1.678 167 HE ARG 24 HE ARG 24 -5.939 -14.306 1.026 168 HH11 ARG 24 1HH1 ARG 24 -3.763 -15.307 3.627 169 HH12 ARG 24 2HH1 ARG 24 -4.951 -14.991 4.853 170 HH21 ARG 24 1HH2 ARG 24 -7.380 -13.904 2.665 171 HH22 ARG 24 2HH2 ARG 24 -6.941 -14.201 4.323 172 H GLY 25 H GLY 25 -3.680 -9.261 0.763 173 HA2 GLY 25 1HA GLY 25 -4.837 -8.977 -1.894 174 HA3 GLY 25 2HA GLY 25 -5.106 -7.956 -0.487 175 H PHE 26 H PHE 26 -1.734 -8.326 -1.057 176 HA PHE 26 HA PHE 26 -1.679 -6.171 -3.053 177 HB2 PHE 26 1HB PHE 26 -0.483 -4.599 -1.713 178 HB3 PHE 26 2HB PHE 26 -1.975 -4.998 -0.861 179 HD1 PHE 26 1HD PHE 26 -1.935 -6.210 1.251 180 HD2 PHE 26 2HD PHE 26 1.722 -5.362 -0.836 181 HE1 PHE 26 1HE PHE 26 -0.634 -6.809 3.294 182 HE2 PHE 26 2HE PHE 26 3.020 -5.975 1.208 183 HZ PHE 26 HZ PHE 26 1.844 -6.684 3.269 184 H TYR 27 H TYR 27 0.513 -5.623 -3.722 185 HA TYR 27 HA TYR 27 2.541 -7.664 -2.918 186 HB2 TYR 27 1HB TYR 27 1.993 -6.663 -5.733 187 HB3 TYR 27 2HB TYR 27 3.385 -7.646 -5.252 188 HD1 TYR 27 1HD TYR 27 2.836 -9.940 -4.059 189 HD2 TYR 27 2HD TYR 27 0.015 -7.753 -6.466 190 HE1 TYR 27 1HE TYR 27 1.496 -12.017 -4.381 191 HE2 TYR 27 2HE TYR 27 -1.305 -9.848 -6.795 192 HH TYR 27 HH TYR 27 -1.534 -12.064 -6.246 193 H PHE 28 H PHE 28 4.602 -6.935 -2.684 194 HA PHE 28 HA PHE 28 4.993 -3.982 -2.722 195 HB2 PHE 28 1HB PHE 28 6.091 -6.264 -1.250 196 HB3 PHE 28 2HB PHE 28 7.385 -5.329 -2.004 197 HD1 PHE 28 1HD PHE 28 4.366 -4.961 0.170 198 HD2 PHE 28 2HD PHE 28 8.168 -3.335 -0.985 199 HE1 PHE 28 1HE PHE 28 4.232 -3.342 2.050 200 HE2 PHE 28 2HE PHE 28 8.039 -1.693 0.888 201 HZ PHE 28 HZ PHE 28 6.066 -1.703 2.415 202 H SER 29 H SER 29 6.732 -3.081 -3.976 203 HA SER 29 HA SER 29 7.136 -4.375 -6.526 204 HB2 SER 29 1HB SER 29 8.538 -2.395 -7.002 205 HB3 SER 29 2HB SER 29 6.990 -1.929 -6.261 206 HG SER 29 HG SER 29 9.577 -1.943 -5.149 207 H ARG 30 H ARG 30 8.641 -4.762 -3.586 208 HA ARG 30 HA ARG 30 10.383 -5.988 -2.864 209 HB2 ARG 30 1HB ARG 30 9.449 -7.251 -5.087 210 HB3 ARG 30 2HB ARG 30 11.161 -7.087 -5.477 211 HG2 ARG 30 1HG ARG 30 10.445 -8.134 -2.795 212 HG3 ARG 30 2HG ARG 30 10.165 -9.175 -4.205 213 HD2 ARG 30 1HD ARG 30 12.520 -8.825 -4.915 214 HD3 ARG 30 2HD ARG 30 12.792 -7.844 -3.474 215 HE ARG 30 HE ARG 30 11.789 -10.470 -2.815 216 HH11 ARG 30 1HH1 ARG 30 14.749 -8.697 -3.620 217 HH12 ARG 30 2HH1 ARG 30 15.768 -9.890 -2.853 218 HH21 ARG 30 1HH2 ARG 30 13.164 -11.934 -1.853 219 HH22 ARG 30 2HH2 ARG 30 14.885 -11.676 -1.861 220 HA PRO 31 HA PRO 31 13.996 -3.633 -3.862 221 HB2 PRO 31 1HB PRO 31 15.799 -4.736 -2.128 222 HB3 PRO 31 2HB PRO 31 14.527 -3.590 -1.607 223 HG2 PRO 31 1HG PRO 31 14.534 -6.605 -1.482 224 HG3 PRO 31 2HG PRO 31 14.096 -5.428 -0.203 225 HD2 PRO 31 1HD PRO 31 12.228 -6.677 -1.768 226 HD3 PRO 31 2HD PRO 31 12.008 -5.001 -1.156 227 H ALA 32 H ALA 32 15.386 -3.941 -5.481 228 HA ALA 32 HA ALA 32 16.826 -6.425 -5.938 229 HB1 ALA 32 1HB ALA 32 14.584 -5.609 -7.870 230 HB2 ALA 32 2HB ALA 32 15.765 -6.912 -8.145 231 HB3 ALA 32 3HB ALA 32 14.571 -7.058 -6.838 232 H SER 33 H SER 33 18.046 -6.161 -8.092 233 HA SER 33 HA SER 33 19.006 -3.398 -8.381 234 HB2 SER 33 1HB SER 33 19.729 -5.629 -10.228 235 HB3 SER 33 2HB SER 33 20.735 -4.309 -9.601 236 HG SER 33 HG SER 33 21.322 -6.216 -8.550 237 H ARG 34 H ARG 34 19.541 -3.233 -11.044 238 HA ARG 34 HA ARG 34 18.766 -2.693 -13.106 239 HB2 ARG 34 1HB ARG 34 17.892 -5.110 -12.698 240 HB3 ARG 34 2HB ARG 34 16.342 -4.315 -12.722 241 HG2 ARG 34 1HG ARG 34 16.704 -3.495 -14.970 242 HG3 ARG 34 2HG ARG 34 18.404 -4.014 -14.921 243 HD2 ARG 34 1HD ARG 34 17.701 -6.333 -14.699 244 HD3 ARG 34 2HD ARG 34 16.005 -5.833 -14.725 245 HE ARG 34 HE ARG 34 16.131 -5.410 -17.031 246 HH11 ARG 34 1HH1 ARG 34 19.304 -6.438 -15.850 247 HH12 ARG 34 2HH1 ARG 34 19.903 -6.730 -17.459 248 HH21 ARG 34 1HH2 ARG 34 16.973 -5.816 -19.044 249 HH22 ARG 34 2HH2 ARG 34 18.610 -6.385 -19.225 250 H VAL 35 H VAL 35 17.166 -2.001 -10.333 251 HA VAL 35 HA VAL 35 14.860 -0.584 -11.349 252 HB VAL 35 HB VAL 35 14.820 0.479 -9.075 253 HG11 VAL 35 1HG1 VAL 35 13.728 -1.702 -9.484 254 HG12 VAL 35 2HG1 VAL 35 15.243 -2.550 -9.107 255 HG13 VAL 35 3HG1 VAL 35 14.398 -1.632 -7.840 256 HG21 VAL 35 1HG2 VAL 35 16.443 -0.196 -7.371 257 HG22 VAL 35 2HG2 VAL 35 17.301 -1.227 -8.531 258 HG23 VAL 35 3HG2 VAL 35 17.321 0.540 -8.729 259 H SER 36 H SER 36 14.559 1.698 -11.497 260 HA SER 36 HA SER 36 16.983 2.976 -12.567 261 HB2 SER 36 1HB SER 36 14.131 3.892 -12.941 262 HB3 SER 36 2HB SER 36 15.536 4.218 -13.981 263 HG SER 36 HG SER 36 15.563 1.951 -14.452 264 H ARG 37 H ARG 37 15.591 2.954 -9.765 265 HA ARG 37 HA ARG 37 15.401 4.346 -7.945 266 HB2 ARG 37 1HB ARG 37 17.708 5.681 -9.390 267 HB3 ARG 37 2HB ARG 37 17.308 5.919 -7.689 268 HG2 ARG 37 1HG ARG 37 18.054 3.236 -8.940 269 HG3 ARG 37 2HG ARG 37 19.172 4.304 -8.061 270 HD2 ARG 37 1HD ARG 37 16.706 2.914 -6.931 271 HD3 ARG 37 2HD ARG 37 18.394 2.541 -6.555 272 HE ARG 37 HE ARG 37 16.748 4.725 -5.494 273 HH11 ARG 37 1HH1 ARG 37 20.075 3.571 -5.864 274 HH12 ARG 37 2HH1 ARG 37 20.656 4.569 -4.560 275 HH21 ARG 37 1HH2 ARG 37 17.574 5.976 -3.870 276 HH22 ARG 37 2HH2 ARG 37 19.264 5.905 -3.454 277 H ARG 38 H ARG 38 13.642 5.097 -10.092 278 HA ARG 38 HA ARG 38 13.179 7.931 -9.238 279 HB2 ARG 38 1HB ARG 38 12.181 6.517 -11.764 280 HB3 ARG 38 2HB ARG 38 11.754 8.156 -11.257 281 HG2 ARG 38 1HG ARG 38 14.288 8.661 -11.404 282 HG3 ARG 38 2HG ARG 38 14.401 7.140 -12.310 283 HD2 ARG 38 1HD ARG 38 12.649 9.527 -13.019 284 HD3 ARG 38 2HD ARG 38 14.168 9.077 -13.820 285 HE ARG 38 HE ARG 38 12.428 6.848 -13.936 286 HH11 ARG 38 1HH1 ARG 38 12.601 10.100 -15.300 287 HH12 ARG 38 2HH1 ARG 38 11.669 9.660 -16.704 288 HH21 ARG 38 1HH2 ARG 38 11.248 6.362 -15.763 289 HH22 ARG 38 2HH2 ARG 38 10.932 7.582 -16.963 290 H SER 39 H SER 39 11.009 8.113 -8.367 291 HA SER 39 HA SER 39 10.187 5.929 -6.881 292 HB2 SER 39 1HB SER 39 8.443 8.227 -7.818 293 HB3 SER 39 2HB SER 39 8.146 7.185 -6.408 294 HG SER 39 HG SER 39 9.785 8.110 -5.346 295 H ARG 40 H ARG 40 9.596 4.028 -7.526 296 HA ARG 40 HA ARG 40 7.440 3.815 -9.613 297 HB2 ARG 40 1HB ARG 40 8.637 2.026 -10.624 298 HB3 ARG 40 2HB ARG 40 9.644 3.462 -10.596 299 HG2 ARG 40 1HG ARG 40 11.221 2.527 -9.220 300 HG3 ARG 40 2HG ARG 40 10.047 1.523 -8.366 301 HD2 ARG 40 1HD ARG 40 11.053 1.027 -11.167 302 HD3 ARG 40 2HD ARG 40 11.561 0.164 -9.698 303 HE ARG 40 HE ARG 40 8.737 0.004 -9.873 304 HH11 ARG 40 1HH1 ARG 40 11.523 -1.238 -11.663 305 HH12 ARG 40 2HH1 ARG 40 10.657 -2.646 -12.210 306 HH21 ARG 40 1HH2 ARG 40 7.700 -1.798 -10.626 307 HH22 ARG 40 2HH2 ARG 40 8.526 -2.955 -11.635 308 H GLY 41 H GLY 41 8.731 2.836 -6.710 309 HA2 GLY 41 1HA GLY 41 6.879 0.506 -6.524 310 HA3 GLY 41 2HA GLY 41 8.424 0.605 -5.666 311 H ILE 42 H ILE 42 5.946 0.075 -4.438 312 HA ILE 42 HA ILE 42 4.564 2.257 -3.437 313 HB ILE 42 HB ILE 42 3.809 -0.101 -3.283 314 HG12 ILE 42 1HG1 ILE 42 3.006 -0.005 -0.831 315 HG13 ILE 42 2HG1 ILE 42 3.845 1.538 -0.748 316 HG21 ILE 42 1HG2 ILE 42 4.584 -1.633 -1.577 317 HG22 ILE 42 2HG2 ILE 42 5.983 -1.119 -2.540 318 HG23 ILE 42 3HG2 ILE 42 5.708 -0.427 -0.921 319 HD11 ILE 42 1HD1 ILE 42 2.447 2.309 -2.704 320 HD12 ILE 42 2HD1 ILE 42 1.538 0.788 -2.555 321 HD13 ILE 42 3HD1 ILE 42 1.543 1.958 -1.221 322 H VAL 43 H VAL 43 7.576 0.887 -2.017 323 HA VAL 43 HA VAL 43 7.387 2.589 0.306 324 HB VAL 43 HB VAL 43 8.705 0.455 0.215 325 HG11 VAL 43 1HG1 VAL 43 9.749 0.766 -2.028 326 HG12 VAL 43 2HG1 VAL 43 10.758 2.071 -1.360 327 HG13 VAL 43 3HG1 VAL 43 10.943 0.408 -0.765 328 HG21 VAL 43 1HG2 VAL 43 9.062 2.150 1.977 329 HG22 VAL 43 2HG2 VAL 43 10.540 1.234 1.608 330 HG23 VAL 43 3HG2 VAL 43 10.342 2.892 0.990 331 H GLU 44 H GLU 44 8.553 3.025 -2.947 332 HA GLU 44 HA GLU 44 10.252 5.290 -2.350 333 HB2 GLU 44 1HB GLU 44 9.690 3.531 -4.498 334 HB3 GLU 44 2HB GLU 44 9.441 5.184 -5.077 335 HG2 GLU 44 1HG GLU 44 11.667 5.809 -4.296 336 HG3 GLU 44 2HG GLU 44 11.917 4.164 -3.668 337 H GLU 45 H GLU 45 6.888 4.827 -3.224 338 HA GLU 45 HA GLU 45 6.553 7.736 -3.677 339 HB2 GLU 45 1HB GLU 45 4.241 7.119 -4.270 340 HB3 GLU 45 2HB GLU 45 5.442 6.232 -5.218 341 HG2 GLU 45 1HG GLU 45 5.195 4.337 -3.618 342 HG3 GLU 45 2HG GLU 45 3.863 5.207 -2.863 343 H CYS 46 H CYS 46 5.818 5.229 -1.227 344 HA CYS 46 HA CYS 46 4.169 7.192 0.228 345 HB2 CYS 46 1HB CYS 46 4.793 4.281 0.738 346 HB3 CYS 46 2HB CYS 46 3.806 5.283 1.799 347 H CYS 47 H CYS 47 7.404 5.800 0.544 348 HA CYS 47 HA CYS 47 7.593 7.093 3.234 349 HB2 CYS 47 1HB CYS 47 7.999 4.680 3.201 350 HB3 CYS 47 2HB CYS 47 9.281 4.898 2.007 351 H PHE 48 H PHE 48 9.514 6.625 0.195 352 HA PHE 48 HA PHE 48 11.437 8.668 1.014 353 HB2 PHE 48 1HB PHE 48 10.858 7.341 -1.649 354 HB3 PHE 48 2HB PHE 48 12.078 8.596 -1.450 355 HD1 PHE 48 1HD PHE 48 11.193 5.093 -0.633 356 HD2 PHE 48 2HD PHE 48 14.159 8.179 -0.269 357 HE1 PHE 48 1HE PHE 48 12.854 3.389 0.038 358 HE2 PHE 48 2HE PHE 48 15.839 6.479 0.436 359 HZ PHE 48 HZ PHE 48 15.190 4.074 0.588 360 H ARG 49 H ARG 49 8.436 8.534 -0.767 361 HA ARG 49 HA ARG 49 8.306 11.540 -0.659 362 HB2 ARG 49 1HB ARG 49 6.976 9.596 -2.592 363 HB3 ARG 49 2HB ARG 49 6.512 11.292 -2.437 364 HG2 ARG 49 1HG ARG 49 8.706 11.993 -3.135 365 HG3 ARG 49 2HG ARG 49 9.229 10.297 -3.270 366 HD2 ARG 49 1HD ARG 49 7.457 9.887 -4.933 367 HD3 ARG 49 2HD ARG 49 6.943 11.578 -4.813 368 HE ARG 49 HE ARG 49 9.349 10.515 -6.139 369 HH11 ARG 49 1HH1 ARG 49 7.629 13.422 -5.088 370 HH12 ARG 49 2HH1 ARG 49 8.556 14.463 -6.134 371 HH21 ARG 49 1HH2 ARG 49 10.487 11.911 -7.440 372 HH22 ARG 49 2HH2 ARG 49 10.135 13.617 -7.450 373 H SER 50 H SER 50 5.492 11.643 -0.883 374 HA SER 50 HA SER 50 4.495 9.763 1.222 375 HB2 SER 50 1HB SER 50 3.798 12.706 0.847 376 HB3 SER 50 2HB SER 50 2.862 11.575 1.850 377 HG SER 50 HG SER 50 5.647 11.913 2.209 378 H CYS 51 H CYS 51 2.394 8.972 0.777 379 HA CYS 51 HA CYS 51 1.478 9.448 -2.024 380 HB2 CYS 51 1HB CYS 51 0.949 7.067 -2.135 381 HB3 CYS 51 2HB CYS 51 2.655 7.287 -1.735 382 H ASP 52 H ASP 52 -0.775 8.780 -2.385 383 HA ASP 52 HA ASP 52 -2.529 9.559 -0.099 384 HB2 ASP 52 1HB ASP 52 -2.795 9.632 -3.118 385 HB3 ASP 52 2HB ASP 52 -4.224 9.679 -2.075 386 H LEU 53 H LEU 53 -4.530 8.365 0.162 387 HA LEU 53 HA LEU 53 -4.202 5.553 0.247 388 HB2 LEU 53 1HB LEU 53 -5.801 6.987 1.587 389 HB3 LEU 53 2HB LEU 53 -6.805 7.110 0.146 390 HG LEU 53 HG LEU 53 -6.894 4.520 0.209 391 HD11 LEU 53 1HD1 LEU 53 -5.955 5.125 3.043 392 HD12 LEU 53 2HD1 LEU 53 -5.112 4.131 1.829 393 HD13 LEU 53 3HD1 LEU 53 -6.657 3.584 2.506 394 HD21 LEU 53 1HD2 LEU 53 -8.790 5.969 0.680 395 HD22 LEU 53 2HD2 LEU 53 -8.229 6.199 2.358 396 HD23 LEU 53 3HD2 LEU 53 -8.767 4.596 1.803 397 H ALA 54 H ALA 54 -5.793 7.593 -2.216 398 HA ALA 54 HA ALA 54 -7.018 5.450 -3.656 399 HB1 ALA 54 1HB ALA 54 -6.011 8.156 -4.668 400 HB2 ALA 54 2HB ALA 54 -7.147 7.081 -5.516 401 HB3 ALA 54 3HB ALA 54 -7.624 7.837 -3.979 402 H LEU 55 H LEU 55 -3.814 6.974 -3.921 403 HA LEU 55 HA LEU 55 -2.961 5.431 -6.195 404 HB2 LEU 55 1HB LEU 55 -1.696 7.337 -5.799 405 HB3 LEU 55 2HB LEU 55 -1.697 7.113 -4.061 406 HG LEU 55 HG LEU 55 0.023 5.449 -4.177 407 HD11 LEU 55 1HD1 LEU 55 -0.177 4.166 -6.062 408 HD12 LEU 55 2HD1 LEU 55 1.193 5.182 -6.508 409 HD13 LEU 55 3HD1 LEU 55 -0.427 5.563 -7.151 410 HD21 LEU 55 1HD2 LEU 55 0.729 7.812 -5.942 411 HD22 LEU 55 2HD2 LEU 55 1.835 6.851 -4.927 412 HD23 LEU 55 3HD2 LEU 55 0.587 7.859 -4.169 413 H LEU 56 H LEU 56 -2.588 5.072 -2.648 414 HA LEU 56 HA LEU 56 -1.059 2.726 -2.685 415 HB2 LEU 56 1HB LEU 56 -1.814 4.316 -0.787 416 HB3 LEU 56 2HB LEU 56 -3.203 3.240 -0.623 417 HG LEU 56 HG LEU 56 -0.469 2.032 -0.676 418 HD11 LEU 56 1HD1 LEU 56 -1.631 3.507 1.708 419 HD12 LEU 56 2HD1 LEU 56 -0.189 3.979 0.771 420 HD13 LEU 56 3HD1 LEU 56 -0.174 2.484 1.726 421 HD21 LEU 56 1HD2 LEU 56 -2.454 0.591 -0.427 422 HD22 LEU 56 2HD2 LEU 56 -2.932 1.512 1.013 423 HD23 LEU 56 3HD2 LEU 56 -1.449 0.556 1.031 424 H GLU 57 H GLU 57 -4.571 3.082 -2.998 425 HA GLU 57 HA GLU 57 -5.238 0.330 -2.756 426 HB2 GLU 57 1HB GLU 57 -6.752 2.360 -2.715 427 HB3 GLU 57 2HB GLU 57 -6.644 2.396 -4.474 428 HG2 GLU 57 1HG GLU 57 -7.715 0.244 -4.653 429 HG3 GLU 57 2HG GLU 57 -7.608 -0.006 -2.909 430 HE2 GLU 57 HE2 GLU 57 -9.304 0.193 -2.058 431 H THR 58 H THR 58 -3.703 2.017 -5.414 432 HA THR 58 HA THR 58 -4.628 0.158 -7.427 433 HB THR 58 HB THR 58 -3.113 1.242 -8.942 434 HG1 THR 58 1HG THR 58 -1.972 2.537 -6.661 435 HG21 THR 58 1HG2 THR 58 -3.800 3.579 -8.684 436 HG22 THR 58 2HG2 THR 58 -4.129 3.346 -6.953 437 HG23 THR 58 3HG2 THR 58 -5.147 2.540 -8.163 438 H TYR 59 H TYR 59 -2.150 -0.004 -5.017 439 HA TYR 59 HA TYR 59 -0.582 -2.065 -6.416 440 HB2 TYR 59 1HB TYR 59 -0.511 -0.802 -3.675 441 HB3 TYR 59 2HB TYR 59 0.404 -2.274 -4.015 442 HD1 TYR 59 1HD TYR 59 2.432 -2.252 -5.268 443 HD2 TYR 59 2HD TYR 59 0.006 1.300 -5.045 444 HE1 TYR 59 1HE TYR 59 4.280 -0.908 -6.292 445 HE2 TYR 59 2HE TYR 59 1.838 2.605 -6.087 446 HH TYR 59 HH TYR 59 4.010 2.637 -6.720 447 H CYS 60 H CYS 60 -3.612 -2.152 -5.244 448 HA CYS 60 HA CYS 60 -3.660 -4.438 -3.542 449 HB2 CYS 60 1HB CYS 60 -5.561 -2.822 -4.093 450 HB3 CYS 60 2HB CYS 60 -5.728 -3.701 -5.617 451 H ALA 61 H ALA 61 -3.867 -6.581 -3.984 452 HA ALA 61 HA ALA 61 -2.587 -7.611 -6.307 453 HB1 ALA 61 1HB ALA 61 -3.461 -9.779 -5.500 454 HB2 ALA 61 2HB ALA 61 -2.649 -8.822 -4.224 455 HB3 ALA 61 3HB ALA 61 -4.432 -8.896 -4.290 456 H THR 62 H THR 62 -3.344 -8.711 -7.993 457 HA THR 62 HA THR 62 -4.540 -9.199 -9.791 458 HB THR 62 HB THR 62 -6.900 -9.712 -9.807 459 HG1 THR 62 1HG THR 62 -6.900 -8.238 -7.384 460 HG21 THR 62 1HG2 THR 62 -5.368 -11.303 -8.620 461 HG22 THR 62 2HG2 THR 62 -7.041 -11.344 -8.023 462 HG23 THR 62 3HG2 THR 62 -5.793 -10.502 -7.084 463 HA PRO 63 HA PRO 63 -4.874 -5.227 -11.531 464 HB2 PRO 63 1HB PRO 63 -5.885 -5.828 -14.026 465 HB3 PRO 63 2HB PRO 63 -4.201 -6.195 -13.533 466 HG2 PRO 63 1HG PRO 63 -6.612 -8.007 -13.481 467 HG3 PRO 63 2HG PRO 63 -4.996 -8.301 -14.209 468 HD2 PRO 63 1HD PRO 63 -5.571 -9.257 -11.769 469 HD3 PRO 63 2HD PRO 63 -3.965 -8.514 -12.076 470 H ALA 64 H ALA 64 -6.430 -3.653 -12.485 471 HA ALA 64 HA ALA 64 -8.786 -3.553 -10.938 472 HB1 ALA 64 1HB ALA 64 -8.119 -2.084 -13.522 473 HB2 ALA 64 2HB ALA 64 -9.395 -1.625 -12.368 474 HB3 ALA 64 3HB ALA 64 -7.687 -1.556 -11.877 475 H LYS 65 H LYS 65 -10.838 -4.162 -11.231 476 HA LYS 65 HA LYS 65 -11.478 -5.733 -13.687 477 HB2 LYS 65 1HB LYS 65 -13.140 -6.857 -12.009 478 HB3 LYS 65 2HB LYS 65 -11.450 -7.347 -12.017 479 HG2 LYS 65 1HG LYS 65 -12.106 -5.156 -10.089 480 HG3 LYS 65 2HG LYS 65 -12.865 -6.718 -9.754 481 HD2 LYS 65 1HD LYS 65 -10.901 -7.710 -9.155 482 HD3 LYS 65 2HD LYS 65 -10.007 -6.940 -10.468 483 HE2 LYS 65 1HE LYS 65 -10.086 -4.774 -9.098 484 HE3 LYS 65 2HE LYS 65 -10.679 -5.757 -7.747 485 HZ1 LYS 65 1HZ LYS 65 -8.078 -6.105 -9.159 486 HZ2 LYS 65 2HZ LYS 65 -8.618 -7.089 -7.955 487 HZ3 LYS 65 3HZ LYS 65 -8.277 -5.510 -7.634 488 H SER 66 H SER 66 -13.609 -5.612 -14.450 489 HA SER 66 HA SER 66 -15.458 -4.456 -15.147 490 HB2 SER 66 1HB SER 66 -16.154 -5.355 -12.885 491 HB3 SER 66 2HB SER 66 -15.829 -3.740 -12.223 492 HG SER 66 HG SER 66 -17.370 -2.897 -13.624 493 H GLU 67 H GLU 67 -13.202 -2.926 -15.565 494 HA GLU 67 HA GLU 67 -13.358 -0.287 -14.451 495 HB2 GLU 67 1HB GLU 67 -12.090 -1.269 -17.058 496 HB3 GLU 67 2HB GLU 67 -11.881 0.354 -16.400 497 HG2 GLU 67 1HG GLU 67 -10.899 -0.606 -14.308 498 HG3 GLU 67 2HG GLU 67 -11.060 -2.236 -14.972 Start of MODEL 15 1 HA ALA 1 HA ALA 1 -2.998 15.299 14.969 2 HB1 ALA 1 1HB ALA 1 -4.051 14.936 12.113 3 HB2 ALA 1 2HB ALA 1 -2.655 14.100 12.807 4 HB3 ALA 1 3HB ALA 1 -4.280 13.794 13.450 5 H TYR 2 H TYR 2 -1.569 16.772 15.351 6 HA TYR 2 HA TYR 2 -0.972 18.997 13.651 7 HB2 TYR 2 1HB TYR 2 -0.561 18.755 16.154 8 HB3 TYR 2 2HB TYR 2 0.841 17.760 15.741 9 HD1 TYR 2 1HD TYR 2 -0.609 21.186 15.595 10 HD2 TYR 2 2HD TYR 2 2.878 18.778 14.850 11 HE1 TYR 2 1HE TYR 2 0.767 23.253 15.334 12 HE2 TYR 2 2HE TYR 2 4.246 20.853 14.593 13 HH TYR 2 HH TYR 2 4.250 23.146 14.598 14 H ARG 3 H ARG 3 0.005 15.747 13.611 15 HA ARG 3 HA ARG 3 2.252 16.322 11.748 16 HB2 ARG 3 1HB ARG 3 2.988 13.998 12.233 17 HB3 ARG 3 2HB ARG 3 2.972 15.038 13.659 18 HG2 ARG 3 1HG ARG 3 0.751 14.033 14.291 19 HG3 ARG 3 2HG ARG 3 0.955 12.873 12.962 20 HD2 ARG 3 1HD ARG 3 2.946 11.966 13.977 21 HD3 ARG 3 2HD ARG 3 2.998 13.280 15.171 22 HE ARG 3 HE ARG 3 0.511 11.899 15.397 23 HH11 ARG 3 1HH1 ARG 3 3.928 11.399 16.134 24 HH12 ARG 3 2HH1 ARG 3 3.580 10.335 17.467 25 HH21 ARG 3 1HH2 ARG 3 0.144 10.528 17.109 26 HH22 ARG 3 2HH2 ARG 3 1.475 9.854 18.009 27 HA PRO 4 HA PRO 4 -0.496 14.883 8.641 28 HB2 PRO 4 1HB PRO 4 1.186 14.441 6.553 29 HB3 PRO 4 2HB PRO 4 0.919 16.092 7.206 30 HG2 PRO 4 1HG PRO 4 3.143 14.155 7.823 31 HG3 PRO 4 2HG PRO 4 3.254 15.869 7.304 32 HD2 PRO 4 1HD PRO 4 3.398 15.152 9.916 33 HD3 PRO 4 2HD PRO 4 2.577 16.668 9.402 34 H SER 5 H SER 5 -1.084 13.031 7.309 35 HA SER 5 HA SER 5 0.263 10.499 8.149 36 HB2 SER 5 1HB SER 5 -2.701 10.888 7.605 37 HB3 SER 5 2HB SER 5 -1.908 9.441 8.268 38 HG SER 5 HG SER 5 -1.189 10.967 9.998 39 H GLU 6 H GLU 6 0.824 12.062 5.829 40 HA GLU 6 HA GLU 6 -0.451 10.618 3.570 41 HB2 GLU 6 1HB GLU 6 1.747 12.709 3.491 42 HB3 GLU 6 2HB GLU 6 0.710 12.181 2.159 43 HG2 GLU 6 1HG GLU 6 -0.151 13.683 4.627 44 HG3 GLU 6 2HG GLU 6 0.051 14.366 3.006 45 HE2 GLU 6 HE2 GLU 6 -1.010 12.689 1.499 46 H THR 7 H THR 7 2.281 10.468 5.566 47 HA THR 7 HA THR 7 3.697 8.612 3.676 48 HB THR 7 HB THR 7 5.782 9.277 4.981 49 HG1 THR 7 1HG THR 7 4.723 10.186 6.787 50 HG21 THR 7 1HG2 THR 7 5.319 10.277 2.767 51 HG22 THR 7 2HG2 THR 7 6.127 11.423 3.856 52 HG23 THR 7 3HG2 THR 7 4.383 11.573 3.553 53 H LEU 8 H LEU 8 4.689 6.848 4.605 54 HA LEU 8 HA LEU 8 3.704 6.145 7.353 55 HB2 LEU 8 1HB LEU 8 3.708 4.520 4.788 56 HB3 LEU 8 2HB LEU 8 3.683 3.782 6.363 57 HG LEU 8 HG LEU 8 1.558 3.562 5.667 58 HD11 LEU 8 1HD1 LEU 8 1.429 6.135 7.249 59 HD12 LEU 8 2HD1 LEU 8 1.698 4.511 7.923 60 HD13 LEU 8 3HD1 LEU 8 0.172 4.883 7.110 61 HD21 LEU 8 1HD2 LEU 8 1.676 5.012 3.706 62 HD22 LEU 8 2HD2 LEU 8 1.445 6.435 4.756 63 HD23 LEU 8 3HD2 LEU 8 0.169 5.203 4.621 64 H CYS 9 H CYS 9 5.402 3.993 5.293 65 HA CYS 9 HA CYS 9 7.513 3.151 5.156 66 HB2 CYS 9 1HB CYS 9 8.027 5.789 5.273 67 HB3 CYS 9 2HB CYS 9 8.753 5.316 6.808 68 H GLY 10 H GLY 10 9.514 3.021 7.108 69 HA2 GLY 10 1HA GLY 10 10.037 1.838 9.009 70 HA3 GLY 10 2HA GLY 10 8.843 2.884 9.752 71 H GLY 11 H GLY 11 7.743 0.431 7.469 72 HA2 GLY 11 1HA GLY 11 6.827 -1.698 7.974 73 HA3 GLY 11 2HA GLY 11 7.019 -1.372 9.702 74 H GLU 12 H GLU 12 5.755 1.373 9.347 75 HA GLU 12 HA GLU 12 3.010 0.728 9.864 76 HB2 GLU 12 1HB GLU 12 4.482 3.229 9.001 77 HB3 GLU 12 2HB GLU 12 2.750 3.226 9.126 78 HG2 GLU 12 1HG GLU 12 3.538 4.081 11.187 79 HG3 GLU 12 2HG GLU 12 3.058 2.415 11.535 80 H LEU 13 H LEU 13 4.807 1.357 6.943 81 HA LEU 13 HA LEU 13 2.667 1.738 5.136 82 HB2 LEU 13 1HB LEU 13 5.076 2.138 4.699 83 HB3 LEU 13 2HB LEU 13 5.364 0.402 4.717 84 HG LEU 13 HG LEU 13 4.066 0.105 2.704 85 HD11 LEU 13 1HD1 LEU 13 3.454 3.070 2.983 86 HD12 LEU 13 2HD1 LEU 13 2.303 1.716 2.935 87 HD13 LEU 13 3HD1 LEU 13 3.205 2.156 1.487 88 HD21 LEU 13 1HD2 LEU 13 6.008 2.442 2.536 89 HD22 LEU 13 2HD2 LEU 13 5.509 1.420 1.175 90 HD23 LEU 13 3HD2 LEU 13 6.426 0.709 2.519 91 H VAL 14 H VAL 14 4.143 -1.232 6.420 92 HA VAL 14 HA VAL 14 2.756 -3.013 4.615 93 HB VAL 14 HB VAL 14 4.011 -3.529 7.361 94 HG11 VAL 14 1HG1 VAL 14 4.049 -5.911 6.655 95 HG12 VAL 14 2HG1 VAL 14 2.407 -5.279 6.864 96 HG13 VAL 14 3HG1 VAL 14 3.076 -5.478 5.227 97 HG21 VAL 14 1HG2 VAL 14 5.645 -2.742 5.677 98 HG22 VAL 14 2HG2 VAL 14 5.902 -4.455 6.054 99 HG23 VAL 14 3HG2 VAL 14 5.086 -3.997 4.542 100 H ASP 15 H ASP 15 2.123 -1.762 7.935 101 HA ASP 15 HA ASP 15 -0.255 -3.265 8.394 102 HB2 ASP 15 1HB ASP 15 0.649 -0.524 9.361 103 HB3 ASP 15 2HB ASP 15 -0.891 -1.243 9.849 104 H THR 16 H THR 16 0.287 -0.074 6.843 105 HA THR 16 HA THR 16 -2.478 0.463 6.386 106 HB THR 16 HB THR 16 -0.120 1.391 4.691 107 HG1 THR 16 1HG THR 16 0.170 1.779 6.957 108 HG21 THR 16 1HG2 THR 16 -2.839 2.617 5.309 109 HG22 THR 16 2HG2 THR 16 -2.322 1.954 3.740 110 HG23 THR 16 3HG2 THR 16 -1.535 3.407 4.397 111 H LEU 17 H LEU 17 -0.028 -1.277 4.423 112 HA LEU 17 HA LEU 17 -1.757 -1.628 2.144 113 HB2 LEU 17 1HB LEU 17 0.705 -3.027 3.176 114 HB3 LEU 17 2HB LEU 17 -0.170 -3.650 1.779 115 HG LEU 17 HG LEU 17 0.712 -0.767 1.831 116 HD11 LEU 17 1HD1 LEU 17 2.807 -1.425 0.773 117 HD12 LEU 17 2HD1 LEU 17 2.393 -3.135 0.980 118 HD13 LEU 17 3HD1 LEU 17 2.677 -2.105 2.400 119 HD21 LEU 17 1HD2 LEU 17 0.429 -2.763 -0.459 120 HD22 LEU 17 2HD2 LEU 17 0.701 -1.012 -0.589 121 HD23 LEU 17 3HD2 LEU 17 -0.842 -1.627 0.032 122 H GLN 18 H GLN 18 -1.231 -3.553 5.125 123 HA GLN 18 HA GLN 18 -2.924 -5.734 4.281 124 HB2 GLN 18 1HB GLN 18 -2.107 -4.695 7.017 125 HB3 GLN 18 2HB GLN 18 -3.147 -6.107 6.790 126 HG2 GLN 18 1HG GLN 18 -1.377 -7.238 5.529 127 HG3 GLN 18 2HG GLN 18 -0.322 -5.833 5.725 128 HE21 GLN 18 1HE2 GLN 18 0.976 -7.701 8.421 129 HE22 GLN 18 2HE2 GLN 18 1.204 -7.235 6.752 130 H PHE 19 H PHE 19 -3.533 -2.661 6.016 131 HA PHE 19 HA PHE 19 -6.279 -3.209 6.595 132 HB2 PHE 19 1HB PHE 19 -4.908 -1.452 7.672 133 HB3 PHE 19 2HB PHE 19 -4.863 -0.554 6.151 134 HD1 PHE 19 1HD PHE 19 -7.079 -1.727 8.900 135 HD2 PHE 19 2HD PHE 19 -6.715 0.804 5.440 136 HE1 PHE 19 1HE PHE 19 -9.204 -0.584 9.520 137 HE2 PHE 19 2HE PHE 19 -8.839 1.955 6.050 138 HZ PHE 19 HZ PHE 19 -10.090 1.259 8.094 139 H VAL 20 H VAL 20 -4.742 -1.542 3.809 140 HA VAL 20 HA VAL 20 -7.315 -0.852 2.647 141 HB VAL 20 HB VAL 20 -4.468 -0.764 1.531 142 HG11 VAL 20 1HG1 VAL 20 -5.407 0.752 -0.231 143 HG12 VAL 20 2HG1 VAL 20 -5.985 -0.919 -0.374 144 HG13 VAL 20 3HG1 VAL 20 -7.048 0.326 0.320 145 HG21 VAL 20 1HG2 VAL 20 -4.783 1.715 1.856 146 HG22 VAL 20 2HG2 VAL 20 -6.341 1.375 2.644 147 HG23 VAL 20 3HG2 VAL 20 -4.833 0.805 3.376 148 H CYS 21 H CYS 21 -4.910 -3.449 2.010 149 HA CYS 21 HA CYS 21 -6.562 -4.326 -0.272 150 HB2 CYS 21 1HB CYS 21 -3.986 -5.482 0.819 151 HB3 CYS 21 2HB CYS 21 -4.731 -5.829 -0.747 152 H GLY 22 H GLY 22 -5.813 -5.413 3.029 153 HA2 GLY 22 1HA GLY 22 -6.667 -7.161 4.240 154 HA3 GLY 22 2HA GLY 22 -8.065 -7.091 3.159 155 H ASP 23 H ASP 23 -8.498 -9.124 2.851 156 HA ASP 23 HA ASP 23 -6.807 -11.345 2.596 157 HB2 ASP 23 1HB ASP 23 -9.235 -11.415 2.983 158 HB3 ASP 23 2HB ASP 23 -9.524 -10.759 1.366 159 H ARG 24 H ARG 24 -7.547 -8.899 0.170 160 HA ARG 24 HA ARG 24 -7.070 -10.544 -2.132 161 HB2 ARG 24 1HB ARG 24 -6.574 -7.557 -1.916 162 HB3 ARG 24 2HB ARG 24 -6.939 -8.479 -3.372 163 HG2 ARG 24 1HG ARG 24 -8.827 -7.893 -1.054 164 HG3 ARG 24 2HG ARG 24 -8.902 -7.207 -2.676 165 HD2 ARG 24 1HD ARG 24 -9.311 -10.140 -1.966 166 HD3 ARG 24 2HD ARG 24 -10.588 -8.965 -2.317 167 HE ARG 24 HE ARG 24 -8.756 -9.005 -4.496 168 HH11 ARG 24 1HH1 ARG 24 -11.196 -11.098 -3.036 169 HH12 ARG 24 2HH1 ARG 24 -11.580 -11.867 -4.552 170 HH21 ARG 24 1HH2 ARG 24 -9.283 -10.012 -6.377 171 HH22 ARG 24 2HH2 ARG 24 -10.509 -11.260 -6.420 172 H GLY 25 H GLY 25 -4.897 -9.113 0.171 173 HA2 GLY 25 1HA GLY 25 -2.613 -9.493 0.333 174 HA3 GLY 25 2HA GLY 25 -2.638 -10.310 -1.244 175 H PHE 26 H PHE 26 -0.551 -8.705 -0.848 176 HA PHE 26 HA PHE 26 -1.013 -6.513 -2.747 177 HB2 PHE 26 1HB PHE 26 -0.128 -4.788 -1.279 178 HB3 PHE 26 2HB PHE 26 -1.568 -5.507 -0.551 179 HD1 PHE 26 1HD PHE 26 2.134 -5.278 -0.327 180 HD2 PHE 26 2HD PHE 26 -1.473 -6.735 1.516 181 HE1 PHE 26 1HE PHE 26 3.403 -5.774 1.756 182 HE2 PHE 26 2HE PHE 26 -0.209 -7.231 3.596 183 HZ PHE 26 HZ PHE 26 2.233 -6.747 3.724 184 H TYR 27 H TYR 27 1.164 -5.405 -3.199 185 HA TYR 27 HA TYR 27 3.454 -7.201 -2.568 186 HB2 TYR 27 1HB TYR 27 4.165 -7.105 -4.970 187 HB3 TYR 27 2HB TYR 27 2.693 -8.046 -4.692 188 HD1 TYR 27 1HD TYR 27 4.015 -4.846 -6.079 189 HD2 TYR 27 2HD TYR 27 0.545 -7.342 -5.576 190 HE1 TYR 27 1HE TYR 27 2.755 -3.445 -7.715 191 HE2 TYR 27 2HE TYR 27 -0.698 -5.950 -7.209 192 HH TYR 27 HH TYR 27 -0.671 -3.909 -8.392 193 H PHE 28 H PHE 28 5.506 -6.254 -2.880 194 HA PHE 28 HA PHE 28 5.477 -3.278 -2.722 195 HB2 PHE 28 1HB PHE 28 7.301 -5.467 -1.786 196 HB3 PHE 28 2HB PHE 28 8.053 -3.953 -2.289 197 HD1 PHE 28 1HD PHE 28 8.700 -2.710 -0.444 198 HD2 PHE 28 2HD PHE 28 4.879 -4.695 -0.326 199 HE1 PHE 28 1HE PHE 28 8.240 -1.706 1.790 200 HE2 PHE 28 2HE PHE 28 4.442 -3.712 1.910 201 HZ PHE 28 HZ PHE 28 6.108 -2.208 2.966 202 H SER 29 H SER 29 7.209 -2.197 -3.983 203 HA SER 29 HA SER 29 8.018 -1.575 -6.018 204 HB2 SER 29 1HB SER 29 9.696 -3.300 -5.453 205 HB3 SER 29 2HB SER 29 8.768 -4.481 -6.396 206 HG SER 29 HG SER 29 9.813 -2.010 -7.384 207 H ARG 30 H ARG 30 7.468 -4.611 -7.614 208 HA ARG 30 HA ARG 30 4.785 -4.183 -8.513 209 HB2 ARG 30 1HB ARG 30 5.463 -3.930 -10.962 210 HB3 ARG 30 2HB ARG 30 5.549 -2.489 -9.980 211 HG2 ARG 30 1HG ARG 30 7.455 -2.334 -11.268 212 HG3 ARG 30 2HG ARG 30 8.095 -3.023 -9.768 213 HD2 ARG 30 1HD ARG 30 8.231 -5.181 -10.705 214 HD3 ARG 30 2HD ARG 30 7.204 -4.734 -12.077 215 HE ARG 30 HE ARG 30 9.441 -3.076 -12.248 216 HH11 ARG 30 1HH1 ARG 30 8.819 -6.555 -12.311 217 HH12 ARG 30 2HH1 ARG 30 10.186 -6.866 -13.373 218 HH21 ARG 30 1HH2 ARG 30 11.138 -3.570 -13.600 219 HH22 ARG 30 2HH2 ARG 30 11.442 -5.207 -14.117 220 HA PRO 31 HA PRO 31 5.812 -8.418 -9.007 221 HB2 PRO 31 1HB PRO 31 4.169 -9.395 -10.952 222 HB3 PRO 31 2HB PRO 31 3.531 -8.802 -9.385 223 HG2 PRO 31 1HG PRO 31 3.767 -7.326 -12.000 224 HG3 PRO 31 2HG PRO 31 2.319 -7.549 -10.961 225 HD2 PRO 31 1HD PRO 31 3.815 -5.314 -10.807 226 HD3 PRO 31 2HD PRO 31 3.123 -6.064 -9.327 227 H ALA 32 H ALA 32 6.317 -10.209 -10.848 228 HA ALA 32 HA ALA 32 8.671 -9.330 -12.167 229 HB1 ALA 32 1HB ALA 32 6.914 -11.751 -12.777 230 HB2 ALA 32 2HB ALA 32 8.598 -11.529 -13.307 231 HB3 ALA 32 3HB ALA 32 8.229 -11.703 -11.576 232 H SER 33 H SER 33 9.066 -8.514 -14.182 233 HA SER 33 HA SER 33 6.963 -8.441 -16.226 234 HB2 SER 33 1HB SER 33 8.389 -5.981 -15.121 235 HB3 SER 33 2HB SER 33 7.285 -6.030 -16.483 236 HG SER 33 HG SER 33 6.086 -7.158 -14.383 237 H ARG 34 H ARG 34 7.977 -8.185 -18.294 238 HA ARG 34 HA ARG 34 10.708 -9.141 -18.384 239 HB2 ARG 34 1HB ARG 34 8.722 -8.215 -20.488 240 HB3 ARG 34 2HB ARG 34 10.387 -8.632 -20.894 241 HG2 ARG 34 1HG ARG 34 9.295 -10.618 -21.334 242 HG3 ARG 34 2HG ARG 34 9.905 -10.895 -19.697 243 HD2 ARG 34 1HD ARG 34 7.675 -10.362 -18.767 244 HD3 ARG 34 2HD ARG 34 7.068 -10.020 -20.402 245 HE ARG 34 HE ARG 34 8.151 -12.634 -20.409 246 HH11 ARG 34 1HH1 ARG 34 5.386 -10.957 -18.971 247 HH12 ARG 34 2HH1 ARG 34 4.432 -12.413 -18.897 248 HH21 ARG 34 1HH2 ARG 34 6.861 -14.442 -20.284 249 HH22 ARG 34 2HH2 ARG 34 5.252 -14.342 -19.624 250 H VAL 35 H VAL 35 9.215 -5.960 -18.713 251 HA VAL 35 HA VAL 35 11.517 -4.735 -19.919 252 HB VAL 35 HB VAL 35 10.373 -2.573 -19.374 253 HG11 VAL 35 1HG1 VAL 35 8.455 -2.925 -20.861 254 HG12 VAL 35 2HG1 VAL 35 9.861 -3.833 -21.452 255 HG13 VAL 35 3HG1 VAL 35 8.545 -4.683 -20.611 256 HG21 VAL 35 1HG2 VAL 35 8.180 -4.322 -18.150 257 HG22 VAL 35 2HG2 VAL 35 9.295 -3.295 -17.221 258 HG23 VAL 35 3HG2 VAL 35 8.146 -2.561 -18.356 259 H SER 36 H SER 36 13.029 -3.318 -19.120 260 HA SER 36 HA SER 36 13.956 -3.857 -16.424 261 HB2 SER 36 1HB SER 36 15.658 -2.010 -17.247 262 HB3 SER 36 2HB SER 36 15.680 -3.641 -17.958 263 HG SER 36 HG SER 36 15.668 -2.072 -19.594 264 H ARG 37 H ARG 37 11.797 -2.974 -15.573 265 HA ARG 37 HA ARG 37 12.214 -0.069 -14.932 266 HB2 ARG 37 1HB ARG 37 9.601 -1.515 -15.471 267 HB3 ARG 37 2HB ARG 37 9.701 0.091 -14.741 268 HG2 ARG 37 1HG ARG 37 10.817 -0.592 -17.492 269 HG3 ARG 37 2HG ARG 37 9.226 0.135 -17.200 270 HD2 ARG 37 1HD ARG 37 10.301 2.071 -16.094 271 HD3 ARG 37 2HD ARG 37 11.899 1.362 -16.373 272 HE ARG 37 HE ARG 37 10.139 2.643 -18.356 273 HH11 ARG 37 1HH1 ARG 37 13.146 0.817 -17.833 274 HH12 ARG 37 2HH1 ARG 37 13.801 1.325 -19.367 275 HH21 ARG 37 1HH2 ARG 37 11.056 3.211 -20.291 276 HH22 ARG 37 2HH2 ARG 37 12.642 2.636 -20.728 277 H ARG 38 H ARG 38 13.504 -1.592 -13.298 278 HA ARG 38 HA ARG 38 11.750 -1.971 -10.887 279 HB2 ARG 38 1HB ARG 38 14.561 -2.819 -11.596 280 HB3 ARG 38 2HB ARG 38 14.147 -2.509 -9.907 281 HG2 ARG 38 1HG ARG 38 12.130 -4.105 -10.347 282 HG3 ARG 38 2HG ARG 38 13.147 -4.691 -11.689 283 HD2 ARG 38 1HD ARG 38 15.006 -5.029 -10.126 284 HD3 ARG 38 2HD ARG 38 14.023 -4.380 -8.803 285 HE ARG 38 HE ARG 38 12.614 -6.566 -9.902 286 HH11 ARG 38 1HH1 ARG 38 15.631 -6.057 -8.130 287 HH12 ARG 38 2HH1 ARG 38 15.578 -7.639 -7.406 288 HH21 ARG 38 1HH2 ARG 38 12.615 -8.572 -8.921 289 HH22 ARG 38 2HH2 ARG 38 13.914 -9.032 -7.854 290 H SER 39 H SER 39 11.357 0.364 -11.325 291 HA SER 39 HA SER 39 13.274 2.018 -9.770 292 HB2 SER 39 1HB SER 39 13.667 2.115 -12.349 293 HB3 SER 39 2HB SER 39 12.164 3.058 -12.370 294 HG SER 39 HG SER 39 14.022 4.394 -12.155 295 H ARG 40 H ARG 40 10.559 0.834 -9.469 296 HA ARG 40 HA ARG 40 9.252 3.262 -8.501 297 HB2 ARG 40 1HB ARG 40 7.093 2.526 -9.352 298 HB3 ARG 40 2HB ARG 40 8.177 2.930 -10.670 299 HG2 ARG 40 1HG ARG 40 8.307 0.731 -11.406 300 HG3 ARG 40 2HG ARG 40 7.915 0.047 -9.819 301 HD2 ARG 40 1HD ARG 40 5.828 1.745 -11.122 302 HD3 ARG 40 2HD ARG 40 6.131 0.144 -11.822 303 HE ARG 40 HE ARG 40 5.879 -0.271 -9.061 304 HH11 ARG 40 1HH1 ARG 40 3.759 0.946 -11.623 305 HH12 ARG 40 2HH1 ARG 40 2.328 0.342 -10.833 306 HH21 ARG 40 1HH2 ARG 40 4.018 -1.016 -8.140 307 HH22 ARG 40 2HH2 ARG 40 2.469 -0.732 -8.897 308 H GLY 41 H GLY 41 7.647 2.730 -6.852 309 HA2 GLY 41 1HA GLY 41 6.950 0.157 -6.086 310 HA3 GLY 41 2HA GLY 41 8.462 0.501 -5.226 311 H ILE 42 H ILE 42 6.097 -0.025 -3.895 312 HA ILE 42 HA ILE 42 4.571 2.250 -3.260 313 HB ILE 42 HB ILE 42 3.904 -0.108 -2.814 314 HG12 ILE 42 1HG1 ILE 42 3.056 0.241 -0.455 315 HG13 ILE 42 2HG1 ILE 42 3.944 1.761 -0.445 316 HG21 ILE 42 1HG2 ILE 42 6.101 -0.971 -1.992 317 HG22 ILE 42 2HG2 ILE 42 5.886 -0.044 -0.494 318 HG23 ILE 42 3HG2 ILE 42 4.764 -1.356 -0.899 319 HD11 ILE 42 1HD1 ILE 42 1.604 1.009 -2.214 320 HD12 ILE 42 2HD1 ILE 42 1.682 2.272 -0.973 321 HD13 ILE 42 3HD1 ILE 42 2.592 2.467 -2.478 322 H VAL 43 H VAL 43 7.679 1.152 -1.920 323 HA VAL 43 HA VAL 43 7.695 2.952 0.310 324 HB VAL 43 HB VAL 43 10.042 1.824 -1.292 325 HG11 VAL 43 1HG1 VAL 43 10.701 3.749 0.132 326 HG12 VAL 43 2HG1 VAL 43 9.935 2.976 1.537 327 HG13 VAL 43 3HG1 VAL 43 11.360 2.232 0.773 328 HG21 VAL 43 1HG2 VAL 43 8.646 0.019 -0.415 329 HG22 VAL 43 2HG2 VAL 43 10.144 0.122 0.526 330 HG23 VAL 43 3HG2 VAL 43 8.631 0.774 1.195 331 H GLU 44 H GLU 44 8.691 3.254 -3.109 332 HA GLU 44 HA GLU 44 9.862 5.842 -2.805 333 HB2 GLU 44 1HB GLU 44 9.334 3.976 -4.899 334 HB3 GLU 44 2HB GLU 44 8.760 5.575 -5.403 335 HG2 GLU 44 1HG GLU 44 10.933 6.539 -4.851 336 HG3 GLU 44 2HG GLU 44 11.512 4.954 -4.314 337 H GLU 45 H GLU 45 6.550 4.729 -3.148 338 HA GLU 45 HA GLU 45 5.601 7.426 -3.773 339 HB2 GLU 45 1HB GLU 45 4.093 4.877 -3.090 340 HB3 GLU 45 2HB GLU 45 3.362 6.386 -3.631 341 HG2 GLU 45 1HG GLU 45 5.242 4.627 -5.233 342 HG3 GLU 45 2HG GLU 45 3.507 4.800 -5.472 343 H CYS 46 H CYS 46 5.717 5.314 -0.880 344 HA CYS 46 HA CYS 46 4.214 7.430 0.606 345 HB2 CYS 46 1HB CYS 46 4.544 4.476 1.176 346 HB3 CYS 46 2HB CYS 46 3.620 5.613 2.164 347 H CYS 47 H CYS 47 7.363 6.710 0.269 348 HA CYS 47 HA CYS 47 7.923 7.485 3.098 349 HB2 CYS 47 1HB CYS 47 8.413 5.041 2.681 350 HB3 CYS 47 2HB CYS 47 9.610 5.539 1.486 351 H PHE 48 H PHE 48 9.418 7.097 -0.172 352 HA PHE 48 HA PHE 48 11.193 9.369 0.248 353 HB2 PHE 48 1HB PHE 48 10.366 7.826 -2.230 354 HB3 PHE 48 2HB PHE 48 11.498 9.173 -2.262 355 HD1 PHE 48 1HD PHE 48 13.728 9.010 -1.299 356 HD2 PHE 48 2HD PHE 48 11.043 5.654 -1.243 357 HE1 PHE 48 1HE PHE 48 15.632 7.496 -0.776 358 HE2 PHE 48 2HE PHE 48 12.933 4.134 -0.753 359 HZ PHE 48 HZ PHE 48 15.242 5.050 -0.500 360 H ARG 49 H ARG 49 7.936 8.895 -0.855 361 HA ARG 49 HA ARG 49 7.615 11.837 -1.127 362 HB2 ARG 49 1HB ARG 49 6.559 9.716 -3.049 363 HB3 ARG 49 2HB ARG 49 5.938 11.368 -2.965 364 HG2 ARG 49 1HG ARG 49 8.300 12.164 -3.395 365 HG3 ARG 49 2HG ARG 49 8.695 10.487 -3.825 366 HD2 ARG 49 1HD ARG 49 7.012 10.507 -5.583 367 HD3 ARG 49 2HD ARG 49 6.430 12.100 -5.052 368 HE ARG 49 HE ARG 49 9.227 12.206 -5.689 369 HH11 ARG 49 1HH1 ARG 49 6.054 12.162 -7.236 370 HH12 ARG 49 2HH1 ARG 49 6.628 13.004 -8.652 371 HH21 ARG 49 1HH2 ARG 49 9.886 13.276 -7.523 372 HH22 ARG 49 2HH2 ARG 49 8.760 13.624 -8.808 373 H SER 50 H SER 50 5.130 12.231 -1.190 374 HA SER 50 HA SER 50 3.873 10.726 1.023 375 HB2 SER 50 1HB SER 50 3.046 13.202 -0.547 376 HB3 SER 50 2HB SER 50 2.163 12.525 0.829 377 HG SER 50 HG SER 50 3.649 14.278 1.338 378 H CYS 51 H CYS 51 1.807 9.716 0.765 379 HA CYS 51 HA CYS 51 0.833 9.429 -2.039 380 HB2 CYS 51 1HB CYS 51 0.594 7.035 -1.779 381 HB3 CYS 51 2HB CYS 51 2.271 7.492 -1.530 382 H ASP 52 H ASP 52 -1.309 8.013 -1.850 383 HA ASP 52 HA ASP 52 -2.908 8.793 0.510 384 HB2 ASP 52 1HB ASP 52 -3.374 9.773 -2.325 385 HB3 ASP 52 2HB ASP 52 -4.687 9.659 -1.146 386 H LEU 53 H LEU 53 -5.175 7.827 0.231 387 HA LEU 53 HA LEU 53 -4.926 5.074 0.144 388 HB2 LEU 53 1HB LEU 53 -6.736 6.298 1.245 389 HB3 LEU 53 2HB LEU 53 -7.374 6.810 -0.312 390 HG LEU 53 HG LEU 53 -7.973 4.477 -0.854 391 HD11 LEU 53 1HD1 LEU 53 -6.342 3.246 0.462 392 HD12 LEU 53 2HD1 LEU 53 -7.978 2.791 0.967 393 HD13 LEU 53 3HD1 LEU 53 -7.019 3.902 1.974 394 HD21 LEU 53 1HD2 LEU 53 -9.040 5.483 1.811 395 HD22 LEU 53 2HD2 LEU 53 -9.849 4.329 0.724 396 HD23 LEU 53 3HD2 LEU 53 -9.589 6.004 0.198 397 H ALA 54 H ALA 54 -6.292 7.074 -2.522 398 HA ALA 54 HA ALA 54 -7.090 4.893 -4.131 399 HB1 ALA 54 1HB ALA 54 -6.134 7.671 -4.972 400 HB2 ALA 54 2HB ALA 54 -7.053 6.534 -5.990 401 HB3 ALA 54 3HB ALA 54 -7.799 7.220 -4.528 402 H LEU 55 H LEU 55 -3.960 6.595 -3.995 403 HA LEU 55 HA LEU 55 -2.768 5.098 -6.150 404 HB2 LEU 55 1HB LEU 55 -1.810 7.174 -5.651 405 HB3 LEU 55 2HB LEU 55 -1.842 6.890 -3.925 406 HG LEU 55 HG LEU 55 0.073 5.457 -4.020 407 HD11 LEU 55 1HD1 LEU 55 -0.115 5.769 -7.028 408 HD12 LEU 55 2HD1 LEU 55 -0.049 4.273 -6.059 409 HD13 LEU 55 3HD1 LEU 55 1.385 5.299 -6.195 410 HD21 LEU 55 1HD2 LEU 55 0.325 7.905 -3.892 411 HD22 LEU 55 2HD2 LEU 55 0.449 7.987 -5.661 412 HD23 LEU 55 3HD2 LEU 55 1.697 7.154 -4.719 413 H LEU 56 H LEU 56 -2.730 4.812 -2.570 414 HA LEU 56 HA LEU 56 -0.858 2.697 -2.486 415 HB2 LEU 56 1HB LEU 56 -1.823 4.197 -0.626 416 HB3 LEU 56 2HB LEU 56 -3.128 3.010 -0.510 417 HG LEU 56 HG LEU 56 -0.352 1.942 -0.486 418 HD11 LEU 56 1HD1 LEU 56 -0.003 2.529 1.889 419 HD12 LEU 56 2HD1 LEU 56 -1.474 3.531 1.849 420 HD13 LEU 56 3HD1 LEU 56 -0.069 3.968 0.855 421 HD21 LEU 56 1HD2 LEU 56 -1.251 0.510 1.287 422 HD22 LEU 56 2HD2 LEU 56 -2.295 0.472 -0.146 423 HD23 LEU 56 3HD2 LEU 56 -2.763 1.428 1.275 424 H GLU 57 H GLU 57 -4.367 2.658 -2.936 425 HA GLU 57 HA GLU 57 -4.821 -0.116 -2.625 426 HB2 GLU 57 1HB GLU 57 -6.462 1.801 -2.793 427 HB3 GLU 57 2HB GLU 57 -6.234 1.772 -4.538 428 HG2 GLU 57 1HG GLU 57 -7.138 -0.470 -4.672 429 HG3 GLU 57 2HG GLU 57 -7.182 -0.595 -2.911 430 HE2 GLU 57 HE2 GLU 57 -9.882 1.581 -2.664 431 H THR 58 H THR 58 -3.326 1.597 -5.316 432 HA THR 58 HA THR 58 -3.915 -0.422 -7.284 433 HB THR 58 HB THR 58 -2.338 0.705 -8.723 434 HG1 THR 58 1HG THR 58 -1.530 2.193 -6.420 435 HG21 THR 58 1HG2 THR 58 -3.652 2.823 -6.960 436 HG22 THR 58 2HG2 THR 58 -4.534 1.854 -8.158 437 HG23 THR 58 3HG2 THR 58 -3.237 2.955 -8.682 438 H TYR 59 H TYR 59 -1.760 -0.427 -4.641 439 HA TYR 59 HA TYR 59 0.103 -2.348 -5.927 440 HB2 TYR 59 1HB TYR 59 0.057 -0.935 -3.251 441 HB3 TYR 59 2HB TYR 59 1.186 -2.244 -3.619 442 HD1 TYR 59 1HD TYR 59 3.113 -1.910 -4.984 443 HD2 TYR 59 2HD TYR 59 0.163 1.209 -4.656 444 HE1 TYR 59 1HE TYR 59 4.661 -0.305 -6.100 445 HE2 TYR 59 2HE TYR 59 1.718 2.791 -5.793 446 HH TYR 59 HH TYR 59 3.765 3.062 -6.795 447 H CYS 60 H CYS 60 -2.924 -2.568 -4.638 448 HA CYS 60 HA CYS 60 -2.565 -4.951 -3.000 449 HB2 CYS 60 1HB CYS 60 -5.010 -3.939 -4.503 450 HB3 CYS 60 2HB CYS 60 -4.996 -5.224 -3.293 451 H ALA 61 H ALA 61 -3.080 -7.110 -3.695 452 HA ALA 61 HA ALA 61 -2.324 -7.543 -6.529 453 HB1 ALA 61 1HB ALA 61 -2.688 -9.474 -4.212 454 HB2 ALA 61 2HB ALA 61 -2.127 -9.909 -5.842 455 HB3 ALA 61 3HB ALA 61 -1.145 -8.832 -4.821 456 H THR 62 H THR 62 -3.486 -9.319 -7.614 457 HA THR 62 HA THR 62 -5.288 -10.121 -8.699 458 HB THR 62 HB THR 62 -7.323 -10.739 -7.639 459 HG1 THR 62 1HG THR 62 -6.693 -8.659 -5.811 460 HG21 THR 62 1HG2 THR 62 -5.333 -10.721 -5.338 461 HG22 THR 62 2HG2 THR 62 -5.275 -11.877 -6.692 462 HG23 THR 62 3HG2 THR 62 -6.676 -11.846 -5.601 463 HA PRO 63 HA PRO 63 -6.910 -6.490 -10.390 464 HB2 PRO 63 1HB PRO 63 -9.035 -7.269 -11.916 465 HB3 PRO 63 2HB PRO 63 -7.333 -7.599 -12.356 466 HG2 PRO 63 1HG PRO 63 -9.332 -9.403 -10.998 467 HG3 PRO 63 2HG PRO 63 -8.258 -9.765 -12.385 468 HD2 PRO 63 1HD PRO 63 -7.643 -10.492 -9.835 469 HD3 PRO 63 2HD PRO 63 -6.376 -9.994 -11.009 470 H ALA 64 H ALA 64 -8.442 -4.920 -10.132 471 HA ALA 64 HA ALA 64 -10.188 -5.219 -7.828 472 HB1 ALA 64 1HB ALA 64 -9.924 -2.936 -9.848 473 HB2 ALA 64 2HB ALA 64 -10.778 -2.855 -8.291 474 HB3 ALA 64 3HB ALA 64 -9.014 -3.078 -8.320 475 H LYS 65 H LYS 65 -12.335 -5.656 -7.832 476 HA LYS 65 HA LYS 65 -13.682 -5.853 -10.494 477 HB2 LYS 65 1HB LYS 65 -13.115 -8.040 -9.380 478 HB3 LYS 65 2HB LYS 65 -14.188 -7.588 -8.054 479 HG2 LYS 65 1HG LYS 65 -15.330 -9.123 -9.549 480 HG3 LYS 65 2HG LYS 65 -16.109 -7.537 -9.637 481 HD2 LYS 65 1HD LYS 65 -14.873 -7.055 -11.743 482 HD3 LYS 65 2HD LYS 65 -14.109 -8.658 -11.647 483 HE2 LYS 65 1HE LYS 65 -16.331 -9.723 -11.783 484 HE3 LYS 65 2HE LYS 65 -17.103 -8.124 -11.826 485 HZ1 LYS 65 1HZ LYS 65 -15.218 -9.166 -13.867 486 HZ2 LYS 65 2HZ LYS 65 -15.941 -7.684 -13.903 487 HZ3 LYS 65 3HZ LYS 65 -16.855 -9.050 -14.045 488 H SER 66 H SER 66 -13.926 -4.841 -7.182 489 HA SER 66 HA SER 66 -15.332 -3.475 -6.054 490 HB2 SER 66 1HB SER 66 -15.309 -2.135 -8.217 491 HB3 SER 66 2HB SER 66 -16.862 -2.905 -8.605 492 HG SER 66 HG SER 66 -16.690 -0.773 -7.322 493 H GLU 67 H GLU 67 -17.096 -3.727 -4.808 494 HA GLU 67 HA GLU 67 -18.750 -4.845 -3.731 495 HB2 GLU 67 1HB GLU 67 -19.904 -4.877 -6.542 496 HB3 GLU 67 2HB GLU 67 -20.743 -5.651 -5.203 497 HG2 GLU 67 1HG GLU 67 -21.598 -3.372 -5.360 498 HG3 GLU 67 2HG GLU 67 -20.621 -3.488 -3.895 Start of MODEL 16 1 HA ALA 1 HA ALA 1 -9.005 16.651 6.950 2 HB1 ALA 1 1HB ALA 1 -7.493 17.054 8.908 3 HB2 ALA 1 2HB ALA 1 -8.703 18.347 8.772 4 HB3 ALA 1 3HB ALA 1 -8.895 17.071 9.987 5 H TYR 2 H TYR 2 -7.519 14.993 6.965 6 HA TYR 2 HA TYR 2 -8.603 12.453 8.076 7 HB2 TYR 2 1HB TYR 2 -7.978 12.733 5.599 8 HB3 TYR 2 2HB TYR 2 -6.286 12.743 6.129 9 HD1 TYR 2 1HD TYR 2 -9.459 10.706 6.465 10 HD2 TYR 2 2HD TYR 2 -5.149 10.662 6.346 11 HE1 TYR 2 1HE TYR 2 -9.475 8.207 6.541 12 HE2 TYR 2 2HE TYR 2 -5.176 8.166 6.425 13 HH TYR 2 HH TYR 2 -8.221 6.290 6.471 14 H ARG 3 H ARG 3 -6.621 10.899 8.595 15 HA ARG 3 HA ARG 3 -5.486 11.840 11.005 16 HB2 ARG 3 1HB ARG 3 -4.636 9.546 9.213 17 HB3 ARG 3 2HB ARG 3 -4.091 9.778 10.867 18 HG2 ARG 3 1HG ARG 3 -6.358 9.464 11.705 19 HG3 ARG 3 2HG ARG 3 -6.996 9.376 10.065 20 HD2 ARG 3 1HD ARG 3 -6.804 7.141 11.003 21 HD3 ARG 3 2HD ARG 3 -5.691 7.328 9.639 22 HE ARG 3 HE ARG 3 -4.151 7.986 11.824 23 HH11 ARG 3 1HH1 ARG 3 -6.090 5.140 11.047 24 HH12 ARG 3 2HH1 ARG 3 -5.049 4.082 11.956 25 HH21 ARG 3 1HH2 ARG 3 -2.855 6.562 12.952 26 HH22 ARG 3 2HH2 ARG 3 -3.265 4.874 13.016 27 HA PRO 4 HA PRO 4 -1.862 13.901 9.478 28 HB2 PRO 4 1HB PRO 4 -0.303 13.980 11.699 29 HB3 PRO 4 2HB PRO 4 -1.867 14.870 11.627 30 HG2 PRO 4 1HG PRO 4 -1.277 12.189 12.843 31 HG3 PRO 4 2HG PRO 4 -2.143 13.589 13.554 32 HD2 PRO 4 1HD PRO 4 -3.417 11.468 12.398 33 HD3 PRO 4 2HD PRO 4 -4.094 13.129 12.346 34 H SER 5 H SER 5 0.684 13.558 9.653 35 HA SER 5 HA SER 5 2.474 12.343 8.960 36 HB2 SER 5 1HB SER 5 1.231 10.228 10.755 37 HB3 SER 5 2HB SER 5 2.920 10.278 10.202 38 HG SER 5 HG SER 5 2.565 11.189 12.316 39 H GLU 6 H GLU 6 0.926 12.437 6.930 40 HA GLU 6 HA GLU 6 -0.226 10.029 5.953 41 HB2 GLU 6 1HB GLU 6 -0.329 11.157 3.824 42 HB3 GLU 6 2HB GLU 6 -0.690 12.324 5.102 43 HG2 GLU 6 1HG GLU 6 1.714 13.095 4.972 44 HG3 GLU 6 2HG GLU 6 1.910 12.060 3.552 45 HE2 GLU 6 HE2 GLU 6 0.129 12.356 2.072 46 H THR 7 H THR 7 3.138 11.043 6.029 47 HA THR 7 HA THR 7 4.010 9.247 3.897 48 HB THR 7 HB THR 7 6.281 9.643 5.213 49 HG1 THR 7 1HG THR 7 5.205 10.429 7.087 50 HG21 THR 7 1HG2 THR 7 5.809 10.746 3.088 51 HG22 THR 7 2HG2 THR 7 6.522 11.908 4.226 52 HG23 THR 7 3HG2 THR 7 4.770 11.935 3.906 53 H LEU 8 H LEU 8 4.270 7.187 4.028 54 HA LEU 8 HA LEU 8 4.175 5.934 6.739 55 HB2 LEU 8 1HB LEU 8 3.219 5.011 4.048 56 HB3 LEU 8 2HB LEU 8 3.316 3.983 5.456 57 HG LEU 8 HG LEU 8 1.610 6.424 5.298 58 HD11 LEU 8 1HD1 LEU 8 0.924 3.534 4.858 59 HD12 LEU 8 2HD1 LEU 8 0.915 4.830 3.639 60 HD13 LEU 8 3HD1 LEU 8 -0.242 4.864 4.970 61 HD21 LEU 8 1HD2 LEU 8 1.610 4.117 7.269 62 HD22 LEU 8 2HD2 LEU 8 0.438 5.449 7.244 63 HD23 LEU 8 3HD2 LEU 8 2.135 5.781 7.614 64 H CYS 9 H CYS 9 5.803 4.842 7.381 65 HA CYS 9 HA CYS 9 7.450 3.252 5.571 66 HB2 CYS 9 1HB CYS 9 8.234 5.850 5.797 67 HB3 CYS 9 2HB CYS 9 9.048 5.170 7.210 68 H GLY 10 H GLY 10 9.455 2.540 7.265 69 HA2 GLY 10 1HA GLY 10 9.944 1.433 9.237 70 HA3 GLY 10 2HA GLY 10 8.884 2.605 10.021 71 H GLY 11 H GLY 11 7.738 0.316 7.581 72 HA2 GLY 11 1HA GLY 11 6.557 -1.681 7.903 73 HA3 GLY 11 2HA GLY 11 6.659 -1.456 9.648 74 H GLU 12 H GLU 12 5.546 1.434 9.268 75 HA GLU 12 HA GLU 12 2.800 0.698 9.693 76 HB2 GLU 12 1HB GLU 12 3.975 3.420 8.973 77 HB3 GLU 12 2HB GLU 12 2.352 3.111 9.615 78 HG2 GLU 12 1HG GLU 12 3.756 1.858 11.520 79 HG3 GLU 12 2HG GLU 12 4.991 3.029 11.018 80 H LEU 13 H LEU 13 4.639 1.569 6.843 81 HA LEU 13 HA LEU 13 2.487 2.063 5.043 82 HB2 LEU 13 1HB LEU 13 4.872 2.501 4.583 83 HB3 LEU 13 2HB LEU 13 5.213 0.776 4.594 84 HG LEU 13 HG LEU 13 3.990 0.443 2.560 85 HD11 LEU 13 1HD1 LEU 13 2.142 2.028 2.808 86 HD12 LEU 13 2HD1 LEU 13 2.999 2.345 1.303 87 HD13 LEU 13 3HD1 LEU 13 3.272 3.394 2.687 88 HD21 LEU 13 1HD2 LEU 13 5.416 1.761 1.070 89 HD22 LEU 13 2HD2 LEU 13 6.340 1.255 2.493 90 HD23 LEU 13 3HD2 LEU 13 5.755 2.935 2.365 91 H VAL 14 H VAL 14 4.118 -0.955 6.101 92 HA VAL 14 HA VAL 14 2.684 -2.700 4.310 93 HB VAL 14 HB VAL 14 4.155 -3.281 6.933 94 HG11 VAL 14 1HG1 VAL 14 2.588 -5.094 6.423 95 HG12 VAL 14 2HG1 VAL 14 3.197 -5.186 4.757 96 HG13 VAL 14 3HG1 VAL 14 4.252 -5.630 6.120 97 HG21 VAL 14 1HG2 VAL 14 5.621 -2.328 5.152 98 HG22 VAL 14 2HG2 VAL 14 6.004 -4.035 5.454 99 HG23 VAL 14 3HG2 VAL 14 5.053 -3.581 4.019 100 H ASP 15 H ASP 15 2.210 -1.621 7.693 101 HA ASP 15 HA ASP 15 -0.034 -3.306 8.222 102 HB2 ASP 15 1HB ASP 15 1.229 -1.975 9.934 103 HB3 ASP 15 2HB ASP 15 0.511 -0.506 9.262 104 H THR 16 H THR 16 0.255 -0.125 6.628 105 HA THR 16 HA THR 16 -2.600 0.271 6.423 106 HB THR 16 HB THR 16 -0.411 1.443 4.668 107 HG1 THR 16 1HG THR 16 0.023 1.862 6.851 108 HG21 THR 16 1HG2 THR 16 -2.008 3.355 4.497 109 HG22 THR 16 2HG2 THR 16 -3.205 2.402 5.410 110 HG23 THR 16 3HG2 THR 16 -2.676 1.861 3.799 111 H LEU 17 H LEU 17 -0.138 -1.186 4.224 112 HA LEU 17 HA LEU 17 -1.927 -1.595 2.032 113 HB2 LEU 17 1HB LEU 17 0.580 -2.983 2.975 114 HB3 LEU 17 2HB LEU 17 -0.289 -3.524 1.545 115 HG LEU 17 HG LEU 17 0.544 -0.645 1.743 116 HD11 LEU 17 1HD1 LEU 17 2.551 -1.933 2.289 117 HD12 LEU 17 2HD1 LEU 17 2.674 -1.186 0.694 118 HD13 LEU 17 3HD1 LEU 17 2.324 -2.924 0.833 119 HD21 LEU 17 1HD2 LEU 17 0.600 -0.794 -0.677 120 HD22 LEU 17 2HD2 LEU 17 -0.943 -1.457 -0.121 121 HD23 LEU 17 3HD2 LEU 17 0.360 -2.554 -0.624 122 H GLN 18 H GLN 18 -1.250 -3.532 4.949 123 HA GLN 18 HA GLN 18 -2.896 -5.785 4.197 124 HB2 GLN 18 1HB GLN 18 -2.057 -4.663 6.891 125 HB3 GLN 18 2HB GLN 18 -2.977 -6.160 6.703 126 HG2 GLN 18 1HG GLN 18 -1.151 -7.204 5.534 127 HG3 GLN 18 2HG GLN 18 -0.264 -5.684 5.433 128 HE21 GLN 18 1HE2 GLN 18 1.338 -7.517 8.129 129 HE22 GLN 18 2HE2 GLN 18 1.184 -7.579 6.390 130 H PHE 19 H PHE 19 -3.568 -2.758 5.999 131 HA PHE 19 HA PHE 19 -6.276 -3.414 6.650 132 HB2 PHE 19 1HB PHE 19 -5.068 -1.620 7.791 133 HB3 PHE 19 2HB PHE 19 -4.842 -0.762 6.264 134 HD1 PHE 19 1HD PHE 19 -7.492 -1.914 8.648 135 HD2 PHE 19 2HD PHE 19 -6.431 0.787 5.477 136 HE1 PHE 19 1HE PHE 19 -9.626 -0.677 8.996 137 HE2 PHE 19 2HE PHE 19 -8.561 2.034 5.813 138 HZ PHE 19 HZ PHE 19 -10.166 1.305 7.577 139 H VAL 20 H VAL 20 -4.885 -1.601 3.869 140 HA VAL 20 HA VAL 20 -7.483 -0.942 2.811 141 HB VAL 20 HB VAL 20 -4.699 -0.930 1.540 142 HG11 VAL 20 1HG1 VAL 20 -5.715 0.578 -0.196 143 HG12 VAL 20 2HG1 VAL 20 -6.330 -1.082 -0.288 144 HG13 VAL 20 3HG1 VAL 20 -7.332 0.193 0.445 145 HG21 VAL 20 1HG2 VAL 20 -6.471 1.283 2.681 146 HG22 VAL 20 2HG2 VAL 20 -4.954 0.685 3.375 147 HG23 VAL 20 3HG2 VAL 20 -4.931 1.549 1.829 148 H CYS 21 H CYS 21 -5.161 -3.600 2.043 149 HA CYS 21 HA CYS 21 -7.071 -4.437 -0.062 150 HB2 CYS 21 1HB CYS 21 -4.417 -4.229 -0.160 151 HB3 CYS 21 2HB CYS 21 -4.537 -5.915 0.381 152 H GLY 22 H GLY 22 -6.135 -5.513 3.137 153 HA2 GLY 22 1HA GLY 22 -6.888 -7.305 4.350 154 HA3 GLY 22 2HA GLY 22 -8.185 -7.490 3.153 155 H ASP 23 H ASP 23 -8.215 -9.632 2.987 156 HA ASP 23 HA ASP 23 -5.934 -11.344 2.928 157 HB2 ASP 23 1HB ASP 23 -8.375 -11.829 3.557 158 HB3 ASP 23 2HB ASP 23 -8.697 -11.949 1.829 159 H ARG 24 H ARG 24 -7.172 -9.361 0.406 160 HA ARG 24 HA ARG 24 -6.783 -11.148 -1.806 161 HB2 ARG 24 1HB ARG 24 -6.511 -8.129 -1.763 162 HB3 ARG 24 2HB ARG 24 -6.815 -9.125 -3.191 163 HG2 ARG 24 1HG ARG 24 -8.700 -8.650 -0.846 164 HG3 ARG 24 2HG ARG 24 -8.852 -7.994 -2.478 165 HD2 ARG 24 1HD ARG 24 -9.034 -10.927 -1.678 166 HD3 ARG 24 2HD ARG 24 -10.385 -9.869 -2.130 167 HE ARG 24 HE ARG 24 -8.515 -9.793 -4.237 168 HH11 ARG 24 1HH1 ARG 24 -10.643 -12.180 -2.755 169 HH12 ARG 24 2HH1 ARG 24 -10.836 -13.066 -4.243 170 HH21 ARG 24 1HH2 ARG 24 -8.805 -10.939 -6.090 171 HH22 ARG 24 2HH2 ARG 24 -9.819 -12.370 -6.114 172 H GLY 25 H GLY 25 -4.570 -9.370 0.179 173 HA2 GLY 25 1HA GLY 25 -2.232 -9.616 0.188 174 HA3 GLY 25 2HA GLY 25 -2.321 -10.462 -1.364 175 H PHE 26 H PHE 26 -0.335 -8.599 -1.039 176 HA PHE 26 HA PHE 26 -1.121 -6.528 -2.969 177 HB2 PHE 26 1HB PHE 26 -0.287 -4.684 -1.561 178 HB3 PHE 26 2HB PHE 26 -1.694 -5.469 -0.818 179 HD1 PHE 26 1HD PHE 26 2.006 -5.079 -0.613 180 HD2 PHE 26 2HD PHE 26 -1.536 -6.619 1.279 181 HE1 PHE 26 1HE PHE 26 3.308 -5.468 1.477 182 HE2 PHE 26 2HE PHE 26 -0.241 -7.023 3.369 183 HZ PHE 26 HZ PHE 26 2.184 -6.445 3.475 184 H TYR 27 H TYR 27 0.822 -5.265 -3.637 185 HA TYR 27 HA TYR 27 3.220 -7.042 -3.558 186 HB2 TYR 27 1HB TYR 27 2.366 -4.892 -5.517 187 HB3 TYR 27 2HB TYR 27 3.876 -5.798 -5.596 188 HD1 TYR 27 1HD TYR 27 3.644 -8.436 -5.649 189 HD2 TYR 27 2HD TYR 27 0.447 -5.723 -6.632 190 HE1 TYR 27 1HE TYR 27 2.484 -10.247 -6.922 191 HE2 TYR 27 2HE TYR 27 -0.677 -7.535 -7.916 192 HH TYR 27 HH TYR 27 -0.591 -9.705 -8.628 193 H PHE 28 H PHE 28 5.263 -6.235 -3.173 194 HA PHE 28 HA PHE 28 5.498 -3.388 -2.331 195 HB2 PHE 28 1HB PHE 28 5.036 -5.078 -0.372 196 HB3 PHE 28 2HB PHE 28 6.693 -5.624 -0.661 197 HD1 PHE 28 1HD PHE 28 4.576 -3.293 1.005 198 HD2 PHE 28 2HD PHE 28 8.548 -3.730 -0.568 199 HE1 PHE 28 1HE PHE 28 5.337 -1.408 2.426 200 HE2 PHE 28 2HE PHE 28 9.325 -1.823 0.845 201 HZ PHE 28 HZ PHE 28 7.720 -0.657 2.346 202 H SER 29 H SER 29 7.520 -2.583 -2.867 203 HA SER 29 HA SER 29 9.619 -4.516 -3.717 204 HB2 SER 29 1HB SER 29 8.522 -3.802 -5.806 205 HB3 SER 29 2HB SER 29 8.710 -2.099 -5.333 206 HG SER 29 HG SER 29 10.417 -2.528 -6.623 207 H ARG 30 H ARG 30 11.585 -3.960 -3.050 208 HA ARG 30 HA ARG 30 12.343 -1.263 -2.323 209 HB2 ARG 30 1HB ARG 30 12.525 -1.508 -0.028 210 HB3 ARG 30 2HB ARG 30 10.969 -2.234 -0.348 211 HG2 ARG 30 1HG ARG 30 13.576 -3.680 0.316 212 HG3 ARG 30 2HG ARG 30 12.148 -3.524 1.341 213 HD2 ARG 30 1HD ARG 30 11.095 -4.747 -0.887 214 HD3 ARG 30 2HD ARG 30 12.717 -5.430 -0.857 215 HE ARG 30 HE ARG 30 10.546 -5.898 1.061 216 HH11 ARG 30 1HH1 ARG 30 14.029 -6.220 0.511 217 HH12 ARG 30 2HH1 ARG 30 14.189 -7.501 1.673 218 HH21 ARG 30 1HH2 ARG 30 10.843 -7.491 2.560 219 HH22 ARG 30 2HH2 ARG 30 12.413 -8.196 2.827 220 HA PRO 31 HA PRO 31 15.897 -3.582 -3.404 221 HB2 PRO 31 1HB PRO 31 18.043 -2.150 -2.548 222 HB3 PRO 31 2HB PRO 31 16.959 -1.529 -3.835 223 HG2 PRO 31 1HG PRO 31 16.950 -0.929 -0.877 224 HG3 PRO 31 2HG PRO 31 16.920 0.214 -2.256 225 HD2 PRO 31 1HD PRO 31 14.656 -0.564 -0.929 226 HD3 PRO 31 2HD PRO 31 14.654 -0.167 -2.688 227 H ALA 32 H ALA 32 17.655 -4.934 -2.553 228 HA ALA 32 HA ALA 32 17.556 -5.281 0.419 229 HB1 ALA 32 1HB ALA 32 16.584 -7.231 -0.806 230 HB2 ALA 32 2HB ALA 32 18.106 -7.402 -1.707 231 HB3 ALA 32 3HB ALA 32 18.080 -7.653 0.047 232 H SER 33 H SER 33 19.215 -3.989 -2.036 233 HA SER 33 HA SER 33 21.923 -4.848 -1.171 234 HB2 SER 33 1HB SER 33 22.491 -3.354 -3.231 235 HB3 SER 33 2HB SER 33 21.725 -4.933 -3.526 236 HG SER 33 HG SER 33 20.573 -2.347 -3.677 237 H ARG 34 H ARG 34 23.503 -3.079 -0.862 238 HA ARG 34 HA ARG 34 22.580 -1.117 0.994 239 HB2 ARG 34 1HB ARG 34 25.148 -1.394 -0.601 240 HB3 ARG 34 2HB ARG 34 24.906 -0.132 0.609 241 HG2 ARG 34 1HG ARG 34 24.341 -2.883 1.576 242 HG3 ARG 34 2HG ARG 34 26.025 -2.572 1.103 243 HD2 ARG 34 1HD ARG 34 25.893 -2.020 3.421 244 HD3 ARG 34 2HD ARG 34 25.970 -0.488 2.546 245 HE ARG 34 HE ARG 34 23.756 -0.018 3.162 246 HH11 ARG 34 1HH1 ARG 34 24.623 -3.247 4.294 247 HH12 ARG 34 2HH1 ARG 34 23.263 -3.336 5.374 248 HH21 ARG 34 1HH2 ARG 34 22.007 -0.228 4.532 249 HH22 ARG 34 2HH2 ARG 34 21.803 -1.671 5.492 250 H VAL 35 H VAL 35 22.795 -1.051 -2.481 251 HA VAL 35 HA VAL 35 22.145 1.869 -2.468 252 HB VAL 35 HB VAL 35 22.966 1.809 -4.878 253 HG11 VAL 35 1HG1 VAL 35 24.347 2.759 -3.054 254 HG12 VAL 35 2HG1 VAL 35 25.050 1.147 -2.747 255 HG13 VAL 35 3HG1 VAL 35 25.342 1.973 -4.294 256 HG21 VAL 35 1HG2 VAL 35 24.357 -0.010 -5.665 257 HG22 VAL 35 2HG2 VAL 35 24.349 -0.808 -4.083 258 HG23 VAL 35 3HG2 VAL 35 22.862 -0.743 -5.058 259 H SER 36 H SER 36 20.523 2.554 -3.927 260 HA SER 36 HA SER 36 18.368 0.621 -4.096 261 HB2 SER 36 1HB SER 36 18.456 3.575 -4.816 262 HB3 SER 36 2HB SER 36 16.997 2.583 -4.621 263 HG SER 36 HG SER 36 17.642 3.846 -2.741 264 H ARG 37 H ARG 37 19.573 -0.651 -5.822 265 HA ARG 37 HA ARG 37 19.608 0.489 -8.516 266 HB2 ARG 37 1HB ARG 37 19.808 -2.431 -7.642 267 HB3 ARG 37 2HB ARG 37 20.187 -1.782 -9.241 268 HG2 ARG 37 1HG ARG 37 21.970 -0.365 -8.088 269 HG3 ARG 37 2HG ARG 37 21.674 -1.381 -6.661 270 HD2 ARG 37 1HD ARG 37 22.087 -3.402 -8.098 271 HD3 ARG 37 2HD ARG 37 22.474 -2.328 -9.438 272 HE ARG 37 HE ARG 37 24.465 -1.608 -8.287 273 HH11 ARG 37 1HH1 ARG 37 22.879 -4.376 -6.743 274 HH12 ARG 37 2HH1 ARG 37 24.337 -4.858 -5.914 275 HH21 ARG 37 1HH2 ARG 37 26.265 -2.291 -7.184 276 HH22 ARG 37 2HH2 ARG 37 26.218 -3.689 -6.155 277 H ARG 38 H ARG 38 17.046 -0.695 -6.631 278 HA ARG 38 HA ARG 38 15.715 -2.029 -8.912 279 HB2 ARG 38 1HB ARG 38 15.012 -1.760 -5.975 280 HB3 ARG 38 2HB ARG 38 13.870 -2.391 -7.172 281 HG2 ARG 38 1HG ARG 38 15.631 -4.078 -7.825 282 HG3 ARG 38 2HG ARG 38 16.560 -3.564 -6.403 283 HD2 ARG 38 1HD ARG 38 14.701 -4.183 -4.936 284 HD3 ARG 38 2HD ARG 38 13.704 -4.605 -6.336 285 HE ARG 38 HE ARG 38 16.053 -6.123 -6.546 286 HH11 ARG 38 1HH1 ARG 38 13.331 -5.923 -4.312 287 HH12 ARG 38 2HH1 ARG 38 13.401 -7.616 -3.927 288 HH21 ARG 38 1HH2 ARG 38 16.100 -8.277 -5.992 289 HH22 ARG 38 2HH2 ARG 38 14.950 -8.920 -4.845 290 H SER 39 H SER 39 13.732 -1.487 -9.707 291 HA SER 39 HA SER 39 13.314 1.319 -10.082 292 HB2 SER 39 1HB SER 39 11.296 -0.761 -10.862 293 HB3 SER 39 2HB SER 39 11.911 0.621 -11.785 294 HG SER 39 HG SER 39 12.842 -1.203 -12.639 295 H ARG 40 H ARG 40 10.781 1.818 -10.274 296 HA ARG 40 HA ARG 40 9.952 2.782 -7.887 297 HB2 ARG 40 1HB ARG 40 9.051 3.151 -10.263 298 HB3 ARG 40 2HB ARG 40 8.009 1.754 -9.959 299 HG2 ARG 40 1HG ARG 40 6.654 3.636 -9.514 300 HG3 ARG 40 2HG ARG 40 7.116 3.044 -7.908 301 HD2 ARG 40 1HD ARG 40 8.167 4.982 -7.426 302 HD3 ARG 40 2HD ARG 40 9.063 4.953 -8.964 303 HE ARG 40 HE ARG 40 6.264 5.653 -9.274 304 HH11 ARG 40 1HH1 ARG 40 9.470 7.036 -8.528 305 HH12 ARG 40 2HH1 ARG 40 9.007 8.601 -9.171 306 HH21 ARG 40 1HH2 ARG 40 5.794 7.666 -10.036 307 HH22 ARG 40 2HH2 ARG 40 6.966 8.949 -9.983 308 H GLY 41 H GLY 41 8.747 2.336 -6.184 309 HA2 GLY 41 1HA GLY 41 7.138 -0.104 -6.096 310 HA3 GLY 41 2HA GLY 41 8.496 -0.049 -4.945 311 H ILE 42 H ILE 42 6.015 -0.159 -3.873 312 HA ILE 42 HA ILE 42 4.680 2.275 -3.465 313 HB ILE 42 HB ILE 42 3.714 0.067 -2.936 314 HG12 ILE 42 1HG1 ILE 42 2.943 0.609 -0.505 315 HG13 ILE 42 2HG1 ILE 42 3.853 2.101 -0.702 316 HG21 ILE 42 1HG2 ILE 42 5.582 -0.015 -0.515 317 HG22 ILE 42 2HG2 ILE 42 4.349 -1.219 -0.975 318 HG23 ILE 42 3HG2 ILE 42 5.784 -0.990 -1.994 319 HD11 ILE 42 1HD1 ILE 42 1.581 2.543 -1.215 320 HD12 ILE 42 2HD1 ILE 42 2.457 2.564 -2.754 321 HD13 ILE 42 3HD1 ILE 42 1.476 1.142 -2.306 322 H VAL 43 H VAL 43 7.583 0.990 -1.838 323 HA VAL 43 HA VAL 43 7.559 2.858 0.303 324 HB VAL 43 HB VAL 43 8.957 0.775 0.215 325 HG11 VAL 43 1HG1 VAL 43 9.854 1.072 -2.103 326 HG12 VAL 43 2HG1 VAL 43 10.878 2.404 -1.496 327 HG13 VAL 43 3HG1 VAL 43 11.108 0.744 -0.905 328 HG21 VAL 43 1HG2 VAL 43 10.496 3.337 0.803 329 HG22 VAL 43 2HG2 VAL 43 9.361 2.517 1.907 330 HG23 VAL 43 3HG2 VAL 43 10.875 1.716 1.443 331 H GLU 44 H GLU 44 8.783 3.119 -3.044 332 HA GLU 44 HA GLU 44 10.156 5.564 -2.638 333 HB2 GLU 44 1HB GLU 44 9.972 3.792 -4.642 334 HB3 GLU 44 2HB GLU 44 8.798 4.985 -5.225 335 HG2 GLU 44 1HG GLU 44 10.574 6.718 -4.857 336 HG3 GLU 44 2HG GLU 44 11.689 5.369 -4.551 337 H GLU 45 H GLU 45 6.794 4.751 -3.336 338 HA GLU 45 HA GLU 45 6.246 7.568 -3.895 339 HB2 GLU 45 1HB GLU 45 4.423 5.139 -3.973 340 HB3 GLU 45 2HB GLU 45 4.007 6.790 -4.469 341 HG2 GLU 45 1HG GLU 45 6.064 6.687 -6.025 342 HG3 GLU 45 2HG GLU 45 6.089 4.948 -5.708 343 H CYS 46 H CYS 46 5.908 5.474 -1.081 344 HA CYS 46 HA CYS 46 4.368 7.726 0.149 345 HB2 CYS 46 1HB CYS 46 3.306 5.328 -0.117 346 HB3 CYS 46 2HB CYS 46 4.190 5.030 1.393 347 H CYS 47 H CYS 47 7.386 6.097 0.422 348 HA CYS 47 HA CYS 47 7.685 7.178 3.204 349 HB2 CYS 47 1HB CYS 47 8.345 4.803 2.846 350 HB3 CYS 47 2HB CYS 47 9.523 5.338 1.647 351 H PHE 48 H PHE 48 8.980 7.278 -0.132 352 HA PHE 48 HA PHE 48 10.759 9.508 0.688 353 HB2 PHE 48 1HB PHE 48 10.598 8.043 -1.944 354 HB3 PHE 48 2HB PHE 48 11.838 9.178 -1.454 355 HD1 PHE 48 1HD PHE 48 12.100 8.035 1.487 356 HD2 PHE 48 2HD PHE 48 12.024 6.176 -2.399 357 HE1 PHE 48 1HE PHE 48 13.327 6.092 2.387 358 HE2 PHE 48 2HE PHE 48 13.225 4.219 -1.485 359 HZ PHE 48 HZ PHE 48 13.881 4.158 0.915 360 H ARG 49 H ARG 49 7.776 8.936 -0.667 361 HA ARG 49 HA ARG 49 7.433 11.836 -1.208 362 HB2 ARG 49 1HB ARG 49 6.636 9.543 -3.014 363 HB3 ARG 49 2HB ARG 49 5.569 10.946 -2.872 364 HG2 ARG 49 1HG ARG 49 7.758 12.301 -3.350 365 HG3 ARG 49 2HG ARG 49 8.330 10.768 -4.039 366 HD2 ARG 49 1HD ARG 49 6.546 10.719 -5.617 367 HD3 ARG 49 2HD ARG 49 5.657 11.995 -4.763 368 HE ARG 49 HE ARG 49 8.233 12.937 -5.624 369 HH11 ARG 49 1HH1 ARG 49 4.965 12.310 -6.830 370 HH12 ARG 49 2HH1 ARG 49 5.103 13.493 -8.106 371 HH21 ARG 49 1HH2 ARG 49 8.329 14.448 -7.262 372 HH22 ARG 49 2HH2 ARG 49 6.967 14.695 -8.326 373 H SER 50 H SER 50 4.849 12.140 -1.040 374 HA SER 50 HA SER 50 4.262 11.028 1.588 375 HB2 SER 50 1HB SER 50 2.654 12.970 -0.084 376 HB3 SER 50 2HB SER 50 2.634 12.783 1.679 377 HG SER 50 HG SER 50 4.568 13.746 1.820 378 H CYS 51 H CYS 51 3.160 10.253 -1.558 379 HA CYS 51 HA CYS 51 1.371 9.270 -2.461 380 HB2 CYS 51 1HB CYS 51 1.106 7.110 -1.946 381 HB3 CYS 51 2HB CYS 51 2.618 7.443 -1.164 382 H ASP 52 H ASP 52 -0.819 7.917 -1.811 383 HA ASP 52 HA ASP 52 -2.548 9.490 -0.050 384 HB2 ASP 52 1HB ASP 52 -4.171 10.010 -1.822 385 HB3 ASP 52 2HB ASP 52 -2.638 10.797 -2.178 386 H LEU 53 H LEU 53 -4.736 8.411 -0.116 387 HA LEU 53 HA LEU 53 -4.370 5.634 0.352 388 HB2 LEU 53 1HB LEU 53 -6.042 7.143 1.420 389 HB3 LEU 53 2HB LEU 53 -6.918 7.214 -0.102 390 HG LEU 53 HG LEU 53 -7.427 4.806 0.057 391 HD11 LEU 53 1HD1 LEU 53 -7.008 3.612 2.193 392 HD12 LEU 53 2HD1 LEU 53 -6.011 4.981 2.755 393 HD13 LEU 53 3HD1 LEU 53 -5.504 4.011 1.341 394 HD21 LEU 53 1HD2 LEU 53 -8.979 6.482 0.968 395 HD22 LEU 53 2HD2 LEU 53 -8.142 6.413 2.540 396 HD23 LEU 53 3HD2 LEU 53 -9.013 4.991 1.934 397 H ALA 54 H ALA 54 -5.626 7.361 -2.519 398 HA ALA 54 HA ALA 54 -6.901 4.986 -3.595 399 HB1 ALA 54 1HB ALA 54 -7.614 7.256 -4.252 400 HB2 ALA 54 2HB ALA 54 -6.030 7.542 -5.015 401 HB3 ALA 54 3HB ALA 54 -7.117 6.304 -5.666 402 H LEU 55 H LEU 55 -3.801 6.672 -4.167 403 HA LEU 55 HA LEU 55 -2.753 4.869 -6.117 404 HB2 LEU 55 1HB LEU 55 -1.607 6.894 -5.836 405 HB3 LEU 55 2HB LEU 55 -1.662 6.774 -4.092 406 HG LEU 55 HG LEU 55 0.099 5.096 -4.089 407 HD11 LEU 55 1HD1 LEU 55 1.465 4.764 -6.153 408 HD12 LEU 55 2HD1 LEU 55 0.181 5.571 -7.090 409 HD13 LEU 55 3HD1 LEU 55 -0.153 4.043 -6.252 410 HD21 LEU 55 1HD2 LEU 55 0.880 7.541 -5.687 411 HD22 LEU 55 2HD2 LEU 55 1.846 6.645 -4.489 412 HD23 LEU 55 3HD2 LEU 55 0.434 7.588 -3.971 413 H LEU 56 H LEU 56 -2.663 4.835 -2.532 414 HA LEU 56 HA LEU 56 -0.884 2.647 -2.337 415 HB2 LEU 56 1HB LEU 56 -1.763 4.272 -0.545 416 HB3 LEU 56 2HB LEU 56 -3.125 3.156 -0.371 417 HG LEU 56 HG LEU 56 -0.359 2.016 -0.273 418 HD11 LEU 56 1HD1 LEU 56 -0.103 2.658 2.093 419 HD12 LEU 56 2HD1 LEU 56 -1.553 3.679 1.985 420 HD13 LEU 56 3HD1 LEU 56 -0.100 4.066 1.025 421 HD21 LEU 56 1HD2 LEU 56 -2.859 1.555 1.387 422 HD22 LEU 56 2HD2 LEU 56 -1.339 0.639 1.524 423 HD23 LEU 56 3HD2 LEU 56 -2.292 0.563 0.032 424 H GLU 57 H GLU 57 -4.395 2.744 -2.783 425 HA GLU 57 HA GLU 57 -4.900 -0.045 -2.453 426 HB2 GLU 57 1HB GLU 57 -6.543 1.883 -2.504 427 HB3 GLU 57 2HB GLU 57 -6.367 1.888 -4.262 428 HG2 GLU 57 1HG GLU 57 -7.233 -0.397 -4.377 429 HG3 GLU 57 2HG GLU 57 -7.345 -0.453 -2.615 430 HE2 GLU 57 HE2 GLU 57 -8.605 0.611 -5.415 431 H THR 58 H THR 58 -3.539 1.742 -5.194 432 HA THR 58 HA THR 58 -4.247 -0.280 -7.124 433 HB THR 58 HB THR 58 -2.768 0.829 -8.677 434 HG1 THR 58 1HG THR 58 -1.790 2.235 -6.378 435 HG21 THR 58 1HG2 THR 58 -3.988 2.985 -6.904 436 HG22 THR 58 2HG2 THR 58 -4.955 1.950 -7.967 437 HG23 THR 58 3HG2 THR 58 -3.731 3.037 -8.665 438 H TYR 59 H TYR 59 -1.865 -0.247 -4.665 439 HA TYR 59 HA TYR 59 -0.090 -2.138 -6.078 440 HB2 TYR 59 1HB TYR 59 -0.057 -0.763 -3.395 441 HB3 TYR 59 2HB TYR 59 0.903 -2.232 -3.641 442 HD1 TYR 59 1HD TYR 59 0.466 1.306 -4.706 443 HD2 TYR 59 2HD TYR 59 2.815 -2.275 -5.152 444 HE1 TYR 59 1HE TYR 59 2.250 2.612 -5.873 445 HE2 TYR 59 2HE TYR 59 4.584 -0.967 -6.333 446 HH TYR 59 HH TYR 59 5.123 1.069 -7.297 447 H CYS 60 H CYS 60 -3.101 -2.484 -4.895 448 HA CYS 60 HA CYS 60 -2.995 -4.870 -3.312 449 HB2 CYS 60 1HB CYS 60 -4.973 -3.525 -5.121 450 HB3 CYS 60 2HB CYS 60 -5.244 -5.226 -4.746 451 H ALA 61 H ALA 61 -3.347 -7.048 -3.915 452 HA ALA 61 HA ALA 61 -2.425 -7.715 -6.662 453 HB1 ALA 61 1HB ALA 61 -1.356 -8.959 -4.836 454 HB2 ALA 61 2HB ALA 61 -2.949 -9.458 -4.228 455 HB3 ALA 61 3HB ALA 61 -2.380 -10.048 -5.809 456 H THR 62 H THR 62 -3.701 -9.022 -7.952 457 HA THR 62 HA THR 62 -5.518 -9.755 -9.030 458 HB THR 62 HB THR 62 -7.389 -10.757 -7.943 459 HG1 THR 62 1HG THR 62 -6.727 -8.988 -5.831 460 HG21 THR 62 1HG2 THR 62 -5.129 -11.819 -7.493 461 HG22 THR 62 2HG2 THR 62 -6.386 -12.208 -6.303 462 HG23 THR 62 3HG2 THR 62 -5.139 -11.011 -5.909 463 HA PRO 63 HA PRO 63 -7.690 -6.136 -10.018 464 HB2 PRO 63 1HB PRO 63 -9.510 -6.969 -11.839 465 HB3 PRO 63 2HB PRO 63 -7.756 -7.085 -12.163 466 HG2 PRO 63 1HG PRO 63 -9.633 -9.197 -11.148 467 HG3 PRO 63 2HG PRO 63 -8.473 -9.287 -12.508 468 HD2 PRO 63 1HD PRO 63 -7.875 -10.244 -10.032 469 HD3 PRO 63 2HD PRO 63 -6.631 -9.487 -11.091 470 H ALA 64 H ALA 64 -9.784 -5.023 -10.008 471 HA ALA 64 HA ALA 64 -11.412 -5.814 -7.738 472 HB1 ALA 64 1HB ALA 64 -10.861 -3.431 -8.276 473 HB2 ALA 64 2HB ALA 64 -11.831 -3.569 -9.771 474 HB3 ALA 64 3HB ALA 64 -12.612 -3.721 -8.186 475 H LYS 65 H LYS 65 -13.765 -5.996 -7.843 476 HA LYS 65 HA LYS 65 -14.621 -7.774 -10.031 477 HB2 LYS 65 1HB LYS 65 -16.037 -6.687 -7.588 478 HB3 LYS 65 2HB LYS 65 -16.723 -7.875 -8.694 479 HG2 LYS 65 1HG LYS 65 -15.078 -9.536 -8.033 480 HG3 LYS 65 2HG LYS 65 -14.190 -8.334 -7.082 481 HD2 LYS 65 1HD LYS 65 -15.505 -9.588 -5.523 482 HD3 LYS 65 2HD LYS 65 -16.247 -7.989 -5.686 483 HE2 LYS 65 1HE LYS 65 -17.747 -9.160 -7.516 484 HE3 LYS 65 2HE LYS 65 -17.231 -10.655 -6.707 485 HZ1 LYS 65 1HZ LYS 65 -18.042 -9.565 -4.608 486 HZ2 LYS 65 2HZ LYS 65 -19.232 -9.892 -5.702 487 HZ3 LYS 65 3HZ LYS 65 -18.678 -8.346 -5.543 488 H SER 66 H SER 66 -16.595 -7.401 -11.235 489 HA SER 66 HA SER 66 -17.008 -4.580 -11.970 490 HB2 SER 66 1HB SER 66 -18.536 -5.613 -13.675 491 HB3 SER 66 2HB SER 66 -16.871 -6.216 -13.743 492 HG SER 66 HG SER 66 -19.135 -7.480 -12.608 493 H GLU 67 H GLU 67 -17.762 -4.394 -9.525 494 HA GLU 67 HA GLU 67 -20.317 -5.443 -8.791 495 HB2 GLU 67 1HB GLU 67 -18.340 -3.736 -7.611 496 HB3 GLU 67 2HB GLU 67 -19.868 -2.868 -7.527 497 HG2 GLU 67 1HG GLU 67 -19.774 -4.182 -5.528 498 HG3 GLU 67 2HG GLU 67 -20.926 -5.004 -6.568 Start of MODEL 17 1 HA ALA 1 HA ALA 1 -4.517 19.979 10.707 2 HB1 ALA 1 1HB ALA 1 -6.409 20.485 12.264 3 HB2 ALA 1 2HB ALA 1 -6.532 21.481 10.804 4 HB3 ALA 1 3HB ALA 1 -7.576 20.051 10.991 5 H TYR 2 H TYR 2 -5.300 17.523 9.210 6 HA TYR 2 HA TYR 2 -6.160 15.637 11.258 7 HB2 TYR 2 1HB TYR 2 -6.442 15.482 8.680 8 HB3 TYR 2 2HB TYR 2 -4.793 14.829 8.678 9 HD1 TYR 2 1HD TYR 2 -4.493 12.497 9.073 10 HD2 TYR 2 2HD TYR 2 -8.171 14.352 10.327 11 HE1 TYR 2 1HE TYR 2 -5.403 10.260 9.746 12 HE2 TYR 2 2HE TYR 2 -9.065 12.122 10.989 13 HH TYR 2 HH TYR 2 -8.711 9.857 11.022 14 H ARG 3 H ARG 3 -4.736 13.545 11.486 15 HA ARG 3 HA ARG 3 -2.489 14.297 13.079 16 HB2 ARG 3 1HB ARG 3 -3.364 11.625 11.927 17 HB3 ARG 3 2HB ARG 3 -2.052 11.793 13.077 18 HG2 ARG 3 1HG ARG 3 -4.916 12.632 13.614 19 HG3 ARG 3 2HG ARG 3 -4.192 11.096 14.131 20 HD2 ARG 3 1HD ARG 3 -2.478 12.377 15.403 21 HD3 ARG 3 2HD ARG 3 -3.297 13.891 14.962 22 HE ARG 3 HE ARG 3 -5.184 12.127 16.159 23 HH11 ARG 3 1HH1 ARG 3 -2.405 14.104 17.077 24 HH12 ARG 3 2HH1 ARG 3 -2.966 14.311 18.709 25 HH21 ARG 3 1HH2 ARG 3 -5.862 12.462 18.250 26 HH22 ARG 3 2HH2 ARG 3 -4.899 13.392 19.369 27 HA PRO 4 HA PRO 4 0.749 14.399 10.105 28 HB2 PRO 4 1HB PRO 4 2.944 13.966 11.640 29 HB3 PRO 4 2HB PRO 4 1.917 15.417 11.874 30 HG2 PRO 4 1HG PRO 4 1.870 12.806 13.363 31 HG3 PRO 4 2HG PRO 4 1.966 14.473 14.022 32 HD2 PRO 4 1HD PRO 4 -0.375 13.112 13.835 33 HD3 PRO 4 2HD PRO 4 -0.297 14.896 13.605 34 H SER 5 H SER 5 2.883 13.063 9.593 35 HA SER 5 HA SER 5 3.795 11.164 8.737 36 HB2 SER 5 1HB SER 5 3.709 10.518 11.201 37 HB3 SER 5 2HB SER 5 2.297 9.527 10.789 38 HG SER 5 HG SER 5 3.617 8.463 9.231 39 H GLU 6 H GLU 6 1.696 12.045 7.306 40 HA GLU 6 HA GLU 6 -0.131 9.935 6.559 41 HB2 GLU 6 1HB GLU 6 -0.605 11.295 4.630 42 HB3 GLU 6 2HB GLU 6 -0.408 12.378 6.018 43 HG2 GLU 6 1HG GLU 6 1.971 12.791 5.211 44 HG3 GLU 6 2HG GLU 6 1.564 11.876 3.752 45 HE2 GLU 6 HE2 GLU 6 -0.042 14.405 2.303 46 H THR 7 H THR 7 3.233 10.470 6.163 47 HA THR 7 HA THR 7 3.597 8.739 3.816 48 HB THR 7 HB THR 7 6.065 9.033 4.554 49 HG1 THR 7 1HG THR 7 5.644 9.607 6.705 50 HG21 THR 7 1HG2 THR 7 5.226 10.420 2.776 51 HG22 THR 7 2HG2 THR 7 6.168 11.436 3.878 52 HG23 THR 7 3HG2 THR 7 4.392 11.494 3.923 53 H LEU 8 H LEU 8 4.329 6.684 3.879 54 HA LEU 8 HA LEU 8 4.580 5.392 6.562 55 HB2 LEU 8 1HB LEU 8 3.063 4.545 4.102 56 HB3 LEU 8 2HB LEU 8 3.637 3.393 5.261 57 HG LEU 8 HG LEU 8 1.514 3.475 5.890 58 HD11 LEU 8 1HD1 LEU 8 1.157 4.673 7.893 59 HD12 LEU 8 2HD1 LEU 8 2.357 5.909 7.458 60 HD13 LEU 8 3HD1 LEU 8 2.888 4.259 7.845 61 HD21 LEU 8 1HD2 LEU 8 0.840 5.063 4.189 62 HD22 LEU 8 2HD2 LEU 8 1.399 6.410 5.213 63 HD23 LEU 8 3HD2 LEU 8 0.031 5.393 5.739 64 H CYS 9 H CYS 9 6.295 4.137 6.798 65 HA CYS 9 HA CYS 9 7.879 3.487 4.331 66 HB2 CYS 9 1HB CYS 9 8.928 4.335 7.053 67 HB3 CYS 9 2HB CYS 9 9.920 3.900 5.649 68 H GLY 10 H GLY 10 7.857 2.619 7.831 69 HA2 GLY 10 1HA GLY 10 9.122 0.055 7.170 70 HA3 GLY 10 2HA GLY 10 8.789 0.704 8.777 71 H GLY 11 H GLY 11 7.773 -0.925 9.807 72 HA2 GLY 11 1HA GLY 11 5.999 -2.751 8.563 73 HA3 GLY 11 2HA GLY 11 6.118 -2.435 10.302 74 H GLU 12 H GLU 12 5.473 0.496 9.671 75 HA GLU 12 HA GLU 12 2.638 0.391 10.056 76 HB2 GLU 12 1HB GLU 12 4.465 2.637 9.138 77 HB3 GLU 12 2HB GLU 12 2.768 2.852 9.579 78 HG2 GLU 12 1HG GLU 12 3.222 2.162 11.869 79 HG3 GLU 12 2HG GLU 12 4.896 1.758 11.461 80 H LEU 13 H LEU 13 4.707 0.676 7.152 81 HA LEU 13 HA LEU 13 2.553 1.391 5.375 82 HB2 LEU 13 1HB LEU 13 4.960 1.736 4.866 83 HB3 LEU 13 2HB LEU 13 5.198 -0.004 4.833 84 HG LEU 13 HG LEU 13 3.926 -0.254 2.840 85 HD11 LEU 13 1HD1 LEU 13 2.861 1.583 1.636 86 HD12 LEU 13 2HD1 LEU 13 3.322 2.726 2.896 87 HD13 LEU 13 3HD1 LEU 13 2.130 1.446 3.233 88 HD21 LEU 13 1HD2 LEU 13 5.786 2.152 2.712 89 HD22 LEU 13 2HD2 LEU 13 5.273 1.187 1.315 90 HD23 LEU 13 3HD2 LEU 13 6.257 0.439 2.596 91 H VAL 14 H VAL 14 4.033 -1.652 6.446 92 HA VAL 14 HA VAL 14 2.534 -3.384 4.730 93 HB VAL 14 HB VAL 14 3.676 -3.934 7.516 94 HG11 VAL 14 1HG1 VAL 14 2.068 -5.652 6.880 95 HG12 VAL 14 2HG1 VAL 14 2.817 -5.823 5.268 96 HG13 VAL 14 3HG1 VAL 14 3.703 -6.309 6.742 97 HG21 VAL 14 1HG2 VAL 14 4.921 -4.255 4.740 98 HG22 VAL 14 2HG2 VAL 14 5.434 -3.144 6.021 99 HG23 VAL 14 3HG2 VAL 14 5.624 -4.886 6.253 100 H ASP 15 H ASP 15 1.912 -2.027 7.986 101 HA ASP 15 HA ASP 15 -0.559 -3.384 8.438 102 HB2 ASP 15 1HB ASP 15 0.636 -2.155 10.195 103 HB3 ASP 15 2HB ASP 15 0.319 -0.632 9.336 104 H THR 16 H THR 16 0.072 -0.141 6.953 105 HA THR 16 HA THR 16 -2.667 0.394 6.389 106 HB THR 16 HB THR 16 -0.273 1.300 4.727 107 HG1 THR 16 1HG THR 16 -1.448 2.436 7.047 108 HG21 THR 16 1HG2 THR 16 -3.018 2.516 5.254 109 HG22 THR 16 2HG2 THR 16 -2.417 1.874 3.713 110 HG23 THR 16 3HG2 THR 16 -1.689 3.334 4.403 111 H LEU 17 H LEU 17 -0.183 -1.346 4.441 112 HA LEU 17 HA LEU 17 -1.852 -1.643 2.127 113 HB2 LEU 17 1HB LEU 17 0.528 -3.142 3.227 114 HB3 LEU 17 2HB LEU 17 -0.290 -3.695 1.770 115 HG LEU 17 HG LEU 17 0.659 -0.836 1.953 116 HD11 LEU 17 1HD1 LEU 17 2.784 -1.484 0.967 117 HD12 LEU 17 2HD1 LEU 17 2.338 -3.201 1.048 118 HD13 LEU 17 3HD1 LEU 17 2.581 -2.272 2.543 119 HD21 LEU 17 1HD2 LEU 17 0.694 -0.982 -0.462 120 HD22 LEU 17 2HD2 LEU 17 -0.871 -1.623 0.092 121 HD23 LEU 17 3HD2 LEU 17 0.424 -2.729 -0.410 122 H GLN 18 H GLN 18 -1.454 -3.680 5.073 123 HA GLN 18 HA GLN 18 -3.217 -5.749 4.107 124 HB2 GLN 18 1HB GLN 18 -2.369 -4.897 6.883 125 HB3 GLN 18 2HB GLN 18 -3.384 -6.312 6.581 126 HG2 GLN 18 1HG GLN 18 -1.641 -7.387 5.315 127 HG3 GLN 18 2HG GLN 18 -0.633 -5.934 5.337 128 HE21 GLN 18 1HE2 GLN 18 0.654 -8.280 7.869 129 HE22 GLN 18 2HE2 GLN 18 0.401 -8.298 6.136 130 H PHE 19 H PHE 19 -3.734 -2.710 5.891 131 HA PHE 19 HA PHE 19 -6.488 -3.184 6.505 132 HB2 PHE 19 1HB PHE 19 -5.064 -1.484 7.599 133 HB3 PHE 19 2HB PHE 19 -4.994 -0.574 6.085 134 HD1 PHE 19 1HD PHE 19 -7.219 -1.683 8.846 135 HD2 PHE 19 2HD PHE 19 -6.799 0.840 5.384 136 HE1 PHE 19 1HE PHE 19 -9.283 -0.465 9.491 137 HE2 PHE 19 2HE PHE 19 -8.865 2.071 6.014 138 HZ PHE 19 HZ PHE 19 -10.110 1.426 8.082 139 H VAL 20 H VAL 20 -4.916 -1.513 3.726 140 HA VAL 20 HA VAL 20 -7.515 -0.834 2.543 141 HB VAL 20 HB VAL 20 -4.666 -0.670 1.420 142 HG11 VAL 20 1HG1 VAL 20 -6.277 -0.700 -0.434 143 HG12 VAL 20 2HG1 VAL 20 -7.269 0.556 0.366 144 HG13 VAL 20 3HG1 VAL 20 -5.633 0.934 -0.240 145 HG21 VAL 20 1HG2 VAL 20 -4.956 0.784 3.360 146 HG22 VAL 20 2HG2 VAL 20 -4.912 1.769 1.899 147 HG23 VAL 20 3HG2 VAL 20 -6.475 1.429 2.702 148 H CYS 21 H CYS 21 -4.957 -3.288 1.879 149 HA CYS 21 HA CYS 21 -6.488 -4.191 -0.459 150 HB2 CYS 21 1HB CYS 21 -3.937 -5.320 0.728 151 HB3 CYS 21 2HB CYS 21 -4.601 -5.629 -0.877 152 H GLY 22 H GLY 22 -6.145 -5.154 2.890 153 HA2 GLY 22 1HA GLY 22 -7.203 -6.867 4.016 154 HA3 GLY 22 2HA GLY 22 -8.057 -7.306 2.515 155 H ASP 23 H ASP 23 -7.581 -9.510 3.311 156 HA ASP 23 HA ASP 23 -4.885 -10.498 3.334 157 HB2 ASP 23 1HB ASP 23 -7.009 -11.403 4.495 158 HB3 ASP 23 2HB ASP 23 -7.339 -12.198 2.955 159 H ARG 24 H ARG 24 -6.583 -9.397 0.753 160 HA ARG 24 HA ARG 24 -6.210 -11.514 -1.167 161 HB2 ARG 24 1HB ARG 24 -6.424 -8.508 -1.578 162 HB3 ARG 24 2HB ARG 24 -6.601 -9.734 -2.841 163 HG2 ARG 24 1HG ARG 24 -8.592 -10.634 -1.708 164 HG3 ARG 24 2HG ARG 24 -8.422 -9.418 -0.427 165 HD2 ARG 24 1HD ARG 24 -8.795 -8.796 -3.359 166 HD3 ARG 24 2HD ARG 24 -10.096 -8.803 -2.154 167 HE ARG 24 HE ARG 24 -8.105 -7.119 -1.137 168 HH11 ARG 24 1HH1 ARG 24 -10.146 -7.120 -4.029 169 HH12 ARG 24 2HH1 ARG 24 -10.158 -5.390 -4.132 170 HH21 ARG 24 1HH2 ARG 24 -8.190 -4.928 -1.321 171 HH22 ARG 24 2HH2 ARG 24 -9.060 -4.162 -2.621 172 H GLY 25 H GLY 25 -4.046 -9.334 0.344 173 HA2 GLY 25 1HA GLY 25 -1.697 -9.554 0.175 174 HA3 GLY 25 2HA GLY 25 -1.888 -10.324 -1.408 175 H PHE 26 H PHE 26 0.029 -8.547 -1.308 176 HA PHE 26 HA PHE 26 -0.910 -6.360 -3.019 177 HB2 PHE 26 1HB PHE 26 0.090 -4.621 -1.532 178 HB3 PHE 26 2HB PHE 26 -1.367 -5.365 -0.861 179 HD1 PHE 26 1HD PHE 26 2.350 -5.279 -0.603 180 HD2 PHE 26 2HD PHE 26 -1.342 -6.560 1.193 181 HE1 PHE 26 1HE PHE 26 3.583 -5.890 1.490 182 HE2 PHE 26 2HE PHE 26 -0.126 -7.163 3.284 183 HZ PHE 26 HZ PHE 26 2.336 -6.822 3.434 184 H TYR 27 H TYR 27 0.960 -5.039 -3.740 185 HA TYR 27 HA TYR 27 3.400 -6.746 -3.926 186 HB2 TYR 27 1HB TYR 27 2.338 -4.435 -5.581 187 HB3 TYR 27 2HB TYR 27 3.947 -5.149 -5.803 188 HD1 TYR 27 1HD TYR 27 0.318 -5.626 -6.337 189 HD2 TYR 27 2HD TYR 27 4.191 -7.492 -6.622 190 HE1 TYR 27 1HE TYR 27 -0.636 -7.431 -7.775 191 HE2 TYR 27 2HE TYR 27 3.234 -9.277 -8.063 192 HH TYR 27 HH TYR 27 -0.214 -9.353 -8.959 193 H PHE 28 H PHE 28 5.400 -5.963 -3.389 194 HA PHE 28 HA PHE 28 5.418 -3.368 -1.905 195 HB2 PHE 28 1HB PHE 28 5.721 -5.734 -0.715 196 HB3 PHE 28 2HB PHE 28 7.385 -5.539 -1.277 197 HD1 PHE 28 1HD PHE 28 4.679 -3.877 0.705 198 HD2 PHE 28 2HD PHE 28 8.911 -4.153 -0.070 199 HE1 PHE 28 1HE PHE 28 5.135 -2.382 2.649 200 HE2 PHE 28 2HE PHE 28 9.368 -2.662 1.878 201 HZ PHE 28 HZ PHE 28 7.471 -1.769 3.230 202 H SER 29 H SER 29 7.773 -2.560 -1.670 203 HA SER 29 HA SER 29 8.664 -2.007 -4.360 204 HB2 SER 29 1HB SER 29 8.660 -0.578 -2.160 205 HB3 SER 29 2HB SER 29 10.268 -1.277 -1.896 206 HG SER 29 HG SER 29 10.768 -0.482 -4.065 207 H ARG 30 H ARG 30 9.088 -4.427 -4.773 208 HA ARG 30 HA ARG 30 11.683 -5.316 -3.793 209 HB2 ARG 30 1HB ARG 30 9.304 -6.589 -4.665 210 HB3 ARG 30 2HB ARG 30 10.632 -7.156 -5.680 211 HG2 ARG 30 1HG ARG 30 10.689 -7.169 -2.645 212 HG3 ARG 30 2HG ARG 30 10.187 -8.547 -3.644 213 HD2 ARG 30 1HD ARG 30 12.427 -8.532 -4.751 214 HD3 ARG 30 2HD ARG 30 12.935 -7.228 -3.686 215 HE ARG 30 HE ARG 30 12.516 -10.056 -2.973 216 HH11 ARG 30 1HH1 ARG 30 13.223 -6.812 -1.758 217 HH12 ARG 30 2HH1 ARG 30 13.825 -7.414 -0.247 218 HH21 ARG 30 1HH2 ARG 30 13.319 -10.754 -1.018 219 HH22 ARG 30 2HH2 ARG 30 13.886 -9.600 0.163 220 HA PRO 31 HA PRO 31 12.912 -5.613 -8.299 221 HB2 PRO 31 1HB PRO 31 11.730 -4.029 -10.197 222 HB3 PRO 31 2HB PRO 31 11.067 -5.620 -9.722 223 HG2 PRO 31 1HG PRO 31 10.281 -2.880 -8.725 224 HG3 PRO 31 2HG PRO 31 9.229 -4.191 -9.355 225 HD2 PRO 31 1HD PRO 31 9.601 -3.826 -6.690 226 HD3 PRO 31 2HD PRO 31 9.466 -5.477 -7.395 227 H ALA 32 H ALA 32 14.647 -4.482 -9.221 228 HA ALA 32 HA ALA 32 14.916 -1.599 -8.962 229 HB1 ALA 32 1HB ALA 32 16.846 -1.668 -7.419 230 HB2 ALA 32 2HB ALA 32 15.416 -2.340 -6.618 231 HB3 ALA 32 3HB ALA 32 16.669 -3.422 -7.241 232 H SER 33 H SER 33 17.293 -1.041 -9.582 233 HA SER 33 HA SER 33 18.016 -2.453 -12.008 234 HB2 SER 33 1HB SER 33 20.074 -0.697 -10.973 235 HB3 SER 33 2HB SER 33 18.969 -0.425 -12.345 236 HG SER 33 HG SER 33 18.906 0.630 -9.833 237 H ARG 34 H ARG 34 20.587 -2.845 -12.207 238 HA ARG 34 HA ARG 34 21.269 -4.922 -10.272 239 HB2 ARG 34 1HB ARG 34 21.772 -4.764 -12.866 240 HB3 ARG 34 2HB ARG 34 23.145 -3.783 -12.349 241 HG2 ARG 34 1HG ARG 34 24.227 -5.729 -12.192 242 HG3 ARG 34 2HG ARG 34 23.318 -5.959 -10.691 243 HD2 ARG 34 1HD ARG 34 22.467 -6.905 -13.447 244 HD3 ARG 34 2HD ARG 34 23.169 -7.926 -12.189 245 HE ARG 34 HE ARG 34 20.997 -6.802 -10.950 246 HH11 ARG 34 1HH1 ARG 34 21.316 -8.636 -13.944 247 HH12 ARG 34 2HH1 ARG 34 19.689 -9.262 -13.834 248 HH21 ARG 34 1HH2 ARG 34 18.937 -7.618 -10.879 249 HH22 ARG 34 2HH2 ARG 34 18.380 -8.689 -12.129 250 H VAL 35 H VAL 35 21.938 -1.568 -10.826 251 HA VAL 35 HA VAL 35 24.038 -1.495 -8.729 252 HB VAL 35 HB VAL 35 24.221 0.940 -9.365 253 HG11 VAL 35 1HG1 VAL 35 24.401 -0.922 -11.767 254 HG12 VAL 35 2HG1 VAL 35 25.268 0.613 -11.538 255 HG13 VAL 35 3HG1 VAL 35 25.626 -0.766 -10.483 256 HG21 VAL 35 1HG2 VAL 35 23.025 1.868 -11.295 257 HG22 VAL 35 2HG2 VAL 35 22.227 0.304 -11.620 258 HG23 VAL 35 3HG2 VAL 35 21.824 1.240 -10.158 259 H SER 36 H SER 36 23.318 1.096 -7.708 260 HA SER 36 HA SER 36 21.042 0.478 -5.996 261 HB2 SER 36 1HB SER 36 21.469 2.731 -5.078 262 HB3 SER 36 2HB SER 36 22.955 1.760 -5.166 263 HG SER 36 HG SER 36 23.723 3.393 -6.228 264 H ARG 37 H ARG 37 20.376 3.533 -6.377 265 HA ARG 37 HA ARG 37 18.705 4.737 -7.402 266 HB2 ARG 37 1HB ARG 37 19.635 3.224 -9.851 267 HB3 ARG 37 2HB ARG 37 18.670 4.697 -9.859 268 HG2 ARG 37 1HG ARG 37 21.512 4.498 -8.793 269 HG3 ARG 37 2HG ARG 37 21.064 5.045 -10.418 270 HD2 ARG 37 1HD ARG 37 19.567 6.779 -9.271 271 HD3 ARG 37 2HD ARG 37 20.435 6.390 -7.774 272 HE ARG 37 HE ARG 37 21.473 7.785 -10.165 273 HH11 ARG 37 1HH1 ARG 37 22.260 6.442 -7.000 274 HH12 ARG 37 2HH1 ARG 37 23.742 7.375 -6.878 275 HH21 ARG 37 1HH2 ARG 37 23.386 8.913 -9.948 276 HH22 ARG 37 2HH2 ARG 37 24.362 8.723 -8.524 277 H ARG 38 H ARG 38 17.626 2.704 -6.032 278 HA ARG 38 HA ARG 38 16.024 0.842 -7.462 279 HB2 ARG 38 1HB ARG 38 15.399 2.262 -4.833 280 HB3 ARG 38 2HB ARG 38 14.595 0.796 -5.430 281 HG2 ARG 38 1HG ARG 38 16.758 -0.415 -5.303 282 HG3 ARG 38 2HG ARG 38 17.522 1.045 -4.647 283 HD2 ARG 38 1HD ARG 38 15.937 0.991 -2.739 284 HD3 ARG 38 2HD ARG 38 15.182 -0.451 -3.414 285 HE ARG 38 HE ARG 38 17.028 -1.739 -2.799 286 HH11 ARG 38 1HH1 ARG 38 17.645 1.643 -1.961 287 HH12 ARG 38 2HH1 ARG 38 18.999 1.230 -0.947 288 HH21 ARG 38 1HH2 ARG 38 18.763 -2.183 -1.487 289 HH22 ARG 38 2HH2 ARG 38 19.610 -0.898 -0.678 290 H SER 39 H SER 39 14.113 1.054 -8.583 291 HA SER 39 HA SER 39 12.917 3.787 -8.684 292 HB2 SER 39 1HB SER 39 12.419 3.201 -11.079 293 HB3 SER 39 2HB SER 39 14.146 3.371 -10.706 294 HG SER 39 HG SER 39 13.870 1.497 -11.873 295 H ARG 40 H ARG 40 10.750 3.952 -8.653 296 HA ARG 40 HA ARG 40 8.601 3.490 -8.201 297 HB2 ARG 40 1HB ARG 40 7.546 2.290 -9.757 298 HB3 ARG 40 2HB ARG 40 9.149 2.196 -10.482 299 HG2 ARG 40 1HG ARG 40 9.345 -0.088 -9.193 300 HG3 ARG 40 2HG ARG 40 7.590 0.044 -9.015 301 HD2 ARG 40 1HD ARG 40 7.494 0.380 -11.537 302 HD3 ARG 40 2HD ARG 40 9.199 -0.086 -11.577 303 HE ARG 40 HE ARG 40 7.620 -2.002 -10.123 304 HH11 ARG 40 1HH1 ARG 40 8.350 -1.013 -13.413 305 HH12 ARG 40 2HH1 ARG 40 7.952 -2.578 -14.085 306 HH21 ARG 40 1HH2 ARG 40 7.097 -3.974 -11.039 307 HH22 ARG 40 2HH2 ARG 40 7.254 -4.219 -12.758 308 H GLY 41 H GLY 41 6.942 1.796 -7.352 309 HA2 GLY 41 1HA GLY 41 6.633 -0.171 -5.988 310 HA3 GLY 41 2HA GLY 41 8.235 0.080 -5.262 311 H ILE 42 H ILE 42 5.718 -0.254 -3.891 312 HA ILE 42 HA ILE 42 4.446 2.135 -3.246 313 HB ILE 42 HB ILE 42 3.600 -0.156 -2.774 314 HG12 ILE 42 1HG1 ILE 42 2.669 0.355 -0.465 315 HG13 ILE 42 2HG1 ILE 42 3.664 1.804 -0.483 316 HG21 ILE 42 1HG2 ILE 42 5.699 -1.128 -1.857 317 HG22 ILE 42 2HG2 ILE 42 5.478 -0.176 -0.370 318 HG23 ILE 42 3HG2 ILE 42 4.292 -1.425 -0.829 319 HD11 ILE 42 1HD1 ILE 42 2.482 2.498 -2.603 320 HD12 ILE 42 2HD1 ILE 42 1.393 1.113 -2.360 321 HD13 ILE 42 3HD1 ILE 42 1.459 2.424 -1.167 322 H VAL 43 H VAL 43 7.461 0.909 -1.804 323 HA VAL 43 HA VAL 43 7.473 2.800 0.378 324 HB VAL 43 HB VAL 43 9.767 1.367 -1.044 325 HG11 VAL 43 1HG1 VAL 43 11.118 1.931 0.988 326 HG12 VAL 43 2HG1 VAL 43 10.660 3.366 0.054 327 HG13 VAL 43 3HG1 VAL 43 9.789 2.970 1.558 328 HG21 VAL 43 1HG2 VAL 43 9.741 -0.114 0.916 329 HG22 VAL 43 2HG2 VAL 43 8.399 0.818 1.622 330 HG23 VAL 43 3HG2 VAL 43 8.152 -0.120 0.131 331 H GLU 44 H GLU 44 8.615 2.915 -3.037 332 HA GLU 44 HA GLU 44 9.920 5.430 -2.693 333 HB2 GLU 44 1HB GLU 44 9.736 3.607 -4.753 334 HB3 GLU 44 2HB GLU 44 8.726 4.958 -5.339 335 HG2 GLU 44 1HG GLU 44 10.702 6.458 -4.589 336 HG3 GLU 44 2HG GLU 44 11.630 4.955 -4.531 337 H GLU 45 H GLU 45 6.554 4.495 -3.425 338 HA GLU 45 HA GLU 45 5.805 7.211 -4.059 339 HB2 GLU 45 1HB GLU 45 4.024 4.891 -3.288 340 HB3 GLU 45 2HB GLU 45 3.523 6.391 -4.062 341 HG2 GLU 45 1HG GLU 45 5.207 4.173 -5.253 342 HG3 GLU 45 2HG GLU 45 3.573 4.631 -5.712 343 H CYS 46 H CYS 46 5.580 5.193 -1.113 344 HA CYS 46 HA CYS 46 4.117 7.424 0.195 345 HB2 CYS 46 1HB CYS 46 4.570 4.530 1.005 346 HB3 CYS 46 2HB CYS 46 3.672 5.723 1.950 347 H CYS 47 H CYS 47 7.352 6.297 0.198 348 HA CYS 47 HA CYS 47 7.752 7.499 2.915 349 HB2 CYS 47 1HB CYS 47 8.249 5.034 2.661 350 HB3 CYS 47 2HB CYS 47 9.527 5.472 1.512 351 H PHE 48 H PHE 48 9.164 7.151 -0.366 352 HA PHE 48 HA PHE 48 11.228 9.149 0.191 353 HB2 PHE 48 1HB PHE 48 10.320 7.670 -2.276 354 HB3 PHE 48 2HB PHE 48 11.495 8.974 -2.367 355 HD1 PHE 48 1HD PHE 48 10.897 5.592 -0.877 356 HD2 PHE 48 2HD PHE 48 13.762 8.673 -1.798 357 HE1 PHE 48 1HE PHE 48 12.750 4.019 -0.375 358 HE2 PHE 48 2HE PHE 48 15.625 7.105 -1.269 359 HZ PHE 48 HZ PHE 48 15.116 4.765 -0.558 360 H ARG 49 H ARG 49 7.931 9.197 -0.675 361 HA ARG 49 HA ARG 49 7.884 12.095 -0.703 362 HB2 ARG 49 1HB ARG 49 6.599 12.286 -2.810 363 HB3 ARG 49 2HB ARG 49 8.269 11.801 -3.095 364 HG2 ARG 49 1HG ARG 49 7.536 9.461 -3.330 365 HG3 ARG 49 2HG ARG 49 5.857 9.968 -3.129 366 HD2 ARG 49 1HD ARG 49 5.826 11.088 -5.191 367 HD3 ARG 49 2HD ARG 49 7.597 11.182 -5.273 368 HE ARG 49 HE ARG 49 5.900 8.862 -5.974 369 HH11 ARG 49 1HH1 ARG 49 9.206 10.069 -5.527 370 HH12 ARG 49 2HH1 ARG 49 9.894 8.751 -6.430 371 HH21 ARG 49 1HH2 ARG 49 6.867 7.203 -7.065 372 HH22 ARG 49 2HH2 ARG 49 8.610 7.156 -7.282 373 H SER 50 H SER 50 5.282 12.512 -1.045 374 HA SER 50 HA SER 50 4.018 10.688 0.893 375 HB2 SER 50 1HB SER 50 2.959 13.181 -0.473 376 HB3 SER 50 2HB SER 50 2.193 12.330 0.876 377 HG SER 50 HG SER 50 3.442 14.128 1.577 378 H CYS 51 H CYS 51 1.935 9.715 0.503 379 HA CYS 51 HA CYS 51 1.154 9.450 -2.350 380 HB2 CYS 51 1HB CYS 51 0.808 7.062 -2.081 381 HB3 CYS 51 2HB CYS 51 2.488 7.450 -1.707 382 H ASP 52 H ASP 52 -1.060 8.159 -2.287 383 HA ASP 52 HA ASP 52 -2.784 9.287 -0.110 384 HB2 ASP 52 1HB ASP 52 -3.009 10.709 -2.100 385 HB3 ASP 52 2HB ASP 52 -3.268 9.271 -3.111 386 H LEU 53 H LEU 53 -4.899 8.162 -0.040 387 HA LEU 53 HA LEU 53 -4.662 5.345 0.174 388 HB2 LEU 53 1HB LEU 53 -6.331 6.725 1.340 389 HB3 LEU 53 2HB LEU 53 -7.064 7.171 -0.195 390 HG LEU 53 HG LEU 53 -7.812 4.834 -0.535 391 HD11 LEU 53 1HD1 LEU 53 -6.666 4.426 2.243 392 HD12 LEU 53 2HD1 LEU 53 -6.159 3.604 0.745 393 HD13 LEU 53 3HD1 LEU 53 -7.764 3.296 1.427 394 HD21 LEU 53 1HD2 LEU 53 -9.584 4.916 1.161 395 HD22 LEU 53 2HD2 LEU 53 -9.246 6.546 0.539 396 HD23 LEU 53 3HD2 LEU 53 -8.624 6.056 2.135 397 H ALA 54 H ALA 54 -5.977 7.352 -2.517 398 HA ALA 54 HA ALA 54 -7.015 5.129 -3.998 399 HB1 ALA 54 1HB ALA 54 -7.044 6.706 -5.900 400 HB2 ALA 54 2HB ALA 54 -7.655 7.482 -4.426 401 HB3 ALA 54 3HB ALA 54 -6.010 7.830 -4.991 402 H LEU 55 H LEU 55 -3.824 6.710 -3.973 403 HA LEU 55 HA LEU 55 -2.750 5.165 -6.160 404 HB2 LEU 55 1HB LEU 55 -1.736 7.232 -5.641 405 HB3 LEU 55 2HB LEU 55 -1.655 6.872 -3.928 406 HG LEU 55 HG LEU 55 0.191 5.452 -4.183 407 HD11 LEU 55 1HD1 LEU 55 -0.098 4.175 -6.127 408 HD12 LEU 55 2HD1 LEU 55 1.322 5.180 -6.458 409 HD13 LEU 55 3HD1 LEU 55 -0.259 5.619 -7.159 410 HD21 LEU 55 1HD2 LEU 55 0.535 7.899 -5.931 411 HD22 LEU 55 2HD2 LEU 55 1.818 7.029 -5.084 412 HD23 LEU 55 3HD2 LEU 55 0.570 7.865 -4.150 413 H LEU 56 H LEU 56 -2.663 4.900 -2.563 414 HA LEU 56 HA LEU 56 -0.970 2.634 -2.513 415 HB2 LEU 56 1HB LEU 56 -1.813 4.203 -0.647 416 HB3 LEU 56 2HB LEU 56 -3.180 3.098 -0.497 417 HG LEU 56 HG LEU 56 -0.458 1.889 -0.521 418 HD11 LEU 56 1HD1 LEU 56 -0.082 3.880 0.832 419 HD12 LEU 56 2HD1 LEU 56 -0.073 2.434 1.853 420 HD13 LEU 56 3HD1 LEU 56 -1.499 3.515 1.839 421 HD21 LEU 56 1HD2 LEU 56 -2.447 0.488 -0.187 422 HD22 LEU 56 2HD2 LEU 56 -2.879 1.441 1.244 423 HD23 LEU 56 3HD2 LEU 56 -1.396 0.471 1.239 424 H GLU 57 H GLU 57 -4.470 2.870 -2.984 425 HA GLU 57 HA GLU 57 -5.096 0.117 -2.732 426 HB2 GLU 57 1HB GLU 57 -6.681 2.082 -2.900 427 HB3 GLU 57 2HB GLU 57 -6.374 2.107 -4.644 428 HG2 GLU 57 1HG GLU 57 -7.309 -0.116 -4.889 429 HG3 GLU 57 2HG GLU 57 -7.448 -0.293 -3.142 430 HE2 GLU 57 HE2 GLU 57 -9.187 0.047 -2.425 431 H THR 58 H THR 58 -3.502 1.834 -5.403 432 HA THR 58 HA THR 58 -4.132 -0.164 -7.387 433 HB THR 58 HB THR 58 -2.523 0.937 -8.816 434 HG1 THR 58 1HG THR 58 -1.669 2.351 -6.475 435 HG21 THR 58 1HG2 THR 58 -3.833 3.055 -7.062 436 HG22 THR 58 2HG2 THR 58 -4.671 2.138 -8.328 437 HG23 THR 58 3HG2 THR 58 -3.335 3.230 -8.752 438 H TYR 59 H TYR 59 -1.900 -0.173 -4.774 439 HA TYR 59 HA TYR 59 -0.086 -2.099 -6.132 440 HB2 TYR 59 1HB TYR 59 -0.061 -0.629 -3.500 441 HB3 TYR 59 2HB TYR 59 0.932 -2.076 -3.718 442 HD1 TYR 59 1HD TYR 59 0.440 1.427 -4.877 443 HD2 TYR 59 2HD TYR 59 2.842 -2.128 -5.240 444 HE1 TYR 59 1HE TYR 59 2.210 2.735 -6.060 445 HE2 TYR 59 2HE TYR 59 4.591 -0.819 -6.453 446 HH TYR 59 HH TYR 59 4.250 2.684 -7.086 447 H CYS 60 H CYS 60 -3.097 -2.319 -4.715 448 HA CYS 60 HA CYS 60 -2.666 -4.703 -3.099 449 HB2 CYS 60 1HB CYS 60 -5.174 -3.618 -4.430 450 HB3 CYS 60 2HB CYS 60 -5.119 -4.896 -3.218 451 H ALA 61 H ALA 61 -3.115 -6.844 -3.592 452 HA ALA 61 HA ALA 61 -2.917 -7.513 -6.477 453 HB1 ALA 61 1HB ALA 61 -1.461 -8.692 -4.875 454 HB2 ALA 61 2HB ALA 61 -2.883 -9.250 -3.977 455 HB3 ALA 61 3HB ALA 61 -2.599 -9.824 -5.643 456 H THR 62 H THR 62 -4.453 -9.254 -7.260 457 HA THR 62 HA THR 62 -7.148 -8.830 -6.134 458 HB THR 62 HB THR 62 -7.936 -9.252 -8.503 459 HG1 THR 62 1HG THR 62 -6.312 -9.061 -10.114 460 HG21 THR 62 1HG2 THR 62 -7.633 -6.924 -7.607 461 HG22 THR 62 2HG2 THR 62 -7.422 -7.046 -9.368 462 HG23 THR 62 3HG2 THR 62 -5.996 -6.917 -8.303 463 HA PRO 63 HA PRO 63 -7.136 -13.223 -5.509 464 HB2 PRO 63 1HB PRO 63 -9.987 -13.186 -6.408 465 HB3 PRO 63 2HB PRO 63 -9.312 -13.776 -4.862 466 HG2 PRO 63 1HG PRO 63 -10.708 -11.509 -4.993 467 HG3 PRO 63 2HG PRO 63 -9.265 -11.661 -3.940 468 HD2 PRO 63 1HD PRO 63 -9.478 -10.277 -6.620 469 HD3 PRO 63 2HD PRO 63 -8.606 -9.799 -5.137 470 H ALA 64 H ALA 64 -6.835 -15.028 -6.726 471 HA ALA 64 HA ALA 64 -7.348 -14.812 -9.651 472 HB1 ALA 64 1HB ALA 64 -4.998 -15.157 -9.020 473 HB2 ALA 64 2HB ALA 64 -5.429 -16.590 -8.060 474 HB3 ALA 64 3HB ALA 64 -5.617 -16.610 -9.840 475 H LYS 65 H LYS 65 -9.526 -15.389 -9.626 476 HA LYS 65 HA LYS 65 -11.330 -16.830 -9.686 477 HB2 LYS 65 1HB LYS 65 -9.592 -17.887 -11.266 478 HB3 LYS 65 2HB LYS 65 -9.331 -19.081 -9.988 479 HG2 LYS 65 1HG LYS 65 -12.075 -19.121 -10.240 480 HG3 LYS 65 2HG LYS 65 -11.593 -18.777 -11.899 481 HD2 LYS 65 1HD LYS 65 -10.532 -21.066 -10.191 482 HD3 LYS 65 2HD LYS 65 -11.824 -21.206 -11.404 483 HE2 LYS 65 1HE LYS 65 -10.232 -20.479 -13.168 484 HE3 LYS 65 2HE LYS 65 -8.940 -20.383 -11.952 485 HZ1 LYS 65 1HZ LYS 65 -8.871 -22.492 -13.136 486 HZ2 LYS 65 2HZ LYS 65 -10.424 -22.847 -12.678 487 HZ3 LYS 65 3HZ LYS 65 -9.221 -22.752 -11.540 488 H SER 66 H SER 66 -10.651 -16.192 -7.101 489 HA SER 66 HA SER 66 -10.131 -18.244 -5.297 490 HB2 SER 66 1HB SER 66 -10.231 -15.891 -4.646 491 HB3 SER 66 2HB SER 66 -11.988 -15.857 -4.974 492 HG SER 66 HG SER 66 -10.733 -17.528 -3.030 493 H GLU 67 H GLU 67 -13.242 -17.252 -6.531 494 HA GLU 67 HA GLU 67 -14.309 -19.960 -6.042 495 HB2 GLU 67 1HB GLU 67 -15.740 -17.403 -5.119 496 HB3 GLU 67 2HB GLU 67 -16.530 -18.982 -5.319 497 HG2 GLU 67 1HG GLU 67 -14.842 -19.973 -3.706 498 HG3 GLU 67 2HG GLU 67 -14.221 -18.359 -3.413 Start of MODEL 18 1 HA ALA 1 HA ALA 1 -7.847 8.188 17.242 2 HB1 ALA 1 1HB ALA 1 -7.061 10.494 17.730 3 HB2 ALA 1 2HB ALA 1 -8.766 10.308 18.180 4 HB3 ALA 1 3HB ALA 1 -7.510 10.305 19.433 5 H TYR 2 H TYR 2 -6.251 6.873 16.858 6 HA TYR 2 HA TYR 2 -4.020 6.631 18.785 7 HB2 TYR 2 1HB TYR 2 -5.111 4.684 17.474 8 HB3 TYR 2 2HB TYR 2 -4.188 5.278 16.084 9 HD1 TYR 2 1HD TYR 2 -1.861 4.696 15.854 10 HD2 TYR 2 2HD TYR 2 -3.837 4.082 19.633 11 HE1 TYR 2 1HE TYR 2 0.151 3.496 16.724 12 HE2 TYR 2 2HE TYR 2 -1.829 2.870 20.481 13 HH TYR 2 HH TYR 2 0.263 2.087 20.000 14 H ARG 3 H ARG 3 -1.764 6.669 17.788 15 HA ARG 3 HA ARG 3 -1.206 9.265 16.770 16 HB2 ARG 3 1HB ARG 3 0.432 6.731 16.660 17 HB3 ARG 3 2HB ARG 3 1.071 8.332 16.322 18 HG2 ARG 3 1HG ARG 3 0.858 9.016 18.588 19 HG3 ARG 3 2HG ARG 3 -0.177 7.634 18.999 20 HD2 ARG 3 1HD ARG 3 2.139 7.313 19.826 21 HD3 ARG 3 2HD ARG 3 1.660 6.078 18.652 22 HE ARG 3 HE ARG 3 3.193 6.891 17.106 23 HH11 ARG 3 1HH1 ARG 3 3.153 9.068 19.893 24 HH12 ARG 3 2HH1 ARG 3 4.613 9.877 19.390 25 HH21 ARG 3 1HH2 ARG 3 5.025 7.985 16.525 26 HH22 ARG 3 2HH2 ARG 3 5.651 9.272 17.517 27 HA PRO 4 HA PRO 4 -1.949 8.341 12.472 28 HB2 PRO 4 1HB PRO 4 -1.244 10.694 11.343 29 HB3 PRO 4 2HB PRO 4 -2.643 10.588 12.463 30 HG2 PRO 4 1HG PRO 4 0.166 11.507 13.005 31 HG3 PRO 4 2HG PRO 4 -1.384 12.262 13.485 32 HD2 PRO 4 1HD PRO 4 0.150 10.625 15.122 33 HD3 PRO 4 2HD PRO 4 -1.617 10.840 15.315 34 H SER 5 H SER 5 -0.800 8.267 10.340 35 HA SER 5 HA SER 5 2.149 8.496 10.437 36 HB2 SER 5 1HB SER 5 0.721 5.936 9.608 37 HB3 SER 5 2HB SER 5 2.469 6.247 9.510 38 HG SER 5 HG SER 5 1.709 6.808 11.982 39 H GLU 6 H GLU 6 1.957 10.211 8.985 40 HA GLU 6 HA GLU 6 0.240 10.128 6.664 41 HB2 GLU 6 1HB GLU 6 2.696 11.826 7.259 42 HB3 GLU 6 2HB GLU 6 1.546 12.131 5.955 43 HG2 GLU 6 1HG GLU 6 0.633 12.017 8.823 44 HG3 GLU 6 2HG GLU 6 1.380 13.474 8.160 45 HE2 GLU 6 HE2 GLU 6 -2.194 12.354 6.883 46 H THR 7 H THR 7 3.624 9.437 7.308 47 HA THR 7 HA THR 7 3.946 8.419 4.516 48 HB THR 7 HB THR 7 6.447 8.671 5.058 49 HG1 THR 7 1HG THR 7 6.931 10.069 6.758 50 HG21 THR 7 1HG2 THR 7 4.775 11.218 5.009 51 HG22 THR 7 2HG2 THR 7 5.268 10.265 3.588 52 HG23 THR 7 3HG2 THR 7 6.496 11.081 4.576 53 H LEU 8 H LEU 8 4.851 6.457 4.233 54 HA LEU 8 HA LEU 8 4.990 4.724 6.676 55 HB2 LEU 8 1HB LEU 8 3.751 4.156 3.969 56 HB3 LEU 8 2HB LEU 8 4.138 2.947 5.146 57 HG LEU 8 HG LEU 8 1.930 3.051 5.420 58 HD11 LEU 8 1HD1 LEU 8 1.333 4.082 7.464 59 HD12 LEU 8 2HD1 LEU 8 2.589 5.327 7.296 60 HD13 LEU 8 3HD1 LEU 8 3.043 3.640 7.601 61 HD21 LEU 8 1HD2 LEU 8 0.558 5.032 5.240 62 HD22 LEU 8 2HD2 LEU 8 1.582 4.818 3.805 63 HD23 LEU 8 3HD2 LEU 8 2.013 6.037 5.031 64 H CYS 9 H CYS 9 6.677 3.427 6.741 65 HA CYS 9 HA CYS 9 8.307 2.977 4.302 66 HB2 CYS 9 1HB CYS 9 8.918 5.074 5.934 67 HB3 CYS 9 2HB CYS 9 9.872 3.794 6.690 68 H GLY 10 H GLY 10 8.104 2.385 7.847 69 HA2 GLY 10 1HA GLY 10 9.603 -0.119 7.553 70 HA3 GLY 10 2HA GLY 10 8.959 0.572 9.052 71 H GLY 11 H GLY 11 8.007 -1.370 9.776 72 HA2 GLY 11 1HA GLY 11 6.383 -3.070 8.219 73 HA3 GLY 11 2HA GLY 11 6.291 -2.895 9.979 74 H GLU 12 H GLU 12 5.631 0.042 9.599 75 HA GLU 12 HA GLU 12 2.806 -0.093 9.654 76 HB2 GLU 12 1HB GLU 12 4.686 2.205 9.044 77 HB3 GLU 12 2HB GLU 12 2.953 2.384 9.361 78 HG2 GLU 12 1HG GLU 12 3.187 1.586 11.587 79 HG3 GLU 12 2HG GLU 12 4.860 1.097 11.320 80 H LEU 13 H LEU 13 5.023 0.159 6.922 81 HA LEU 13 HA LEU 13 3.035 1.067 5.014 82 HB2 LEU 13 1HB LEU 13 5.476 1.242 4.620 83 HB3 LEU 13 2HB LEU 13 5.611 -0.508 4.644 84 HG LEU 13 HG LEU 13 4.362 -0.704 2.583 85 HD11 LEU 13 1HD1 LEU 13 3.728 1.265 1.238 86 HD12 LEU 13 2HD1 LEU 13 4.191 2.338 2.575 87 HD13 LEU 13 3HD1 LEU 13 2.822 1.215 2.757 88 HD21 LEU 13 1HD2 LEU 13 6.810 -0.337 2.555 89 HD22 LEU 13 2HD2 LEU 13 6.538 1.416 2.396 90 HD23 LEU 13 3HD2 LEU 13 6.019 0.310 1.102 91 H VAL 14 H VAL 14 4.270 -2.080 6.096 92 HA VAL 14 HA VAL 14 2.722 -3.691 4.297 93 HB VAL 14 HB VAL 14 3.826 -4.381 7.077 94 HG11 VAL 14 1HG1 VAL 14 3.745 -6.676 6.441 95 HG12 VAL 14 2HG1 VAL 14 2.146 -6.002 6.085 96 HG13 VAL 14 3HG1 VAL 14 3.309 -6.273 4.768 97 HG21 VAL 14 1HG2 VAL 14 5.641 -3.552 5.669 98 HG22 VAL 14 2HG2 VAL 14 5.779 -5.313 5.818 99 HG23 VAL 14 3HG2 VAL 14 5.118 -4.599 4.328 100 H ASP 15 H ASP 15 2.201 -2.400 7.584 101 HA ASP 15 HA ASP 15 -0.287 -3.689 8.093 102 HB2 ASP 15 1HB ASP 15 0.708 -0.976 9.049 103 HB3 ASP 15 2HB ASP 15 -0.631 -1.886 9.756 104 H THR 16 H THR 16 0.457 -0.483 6.616 105 HA THR 16 HA THR 16 -2.292 0.246 6.264 106 HB THR 16 HB THR 16 0.100 1.153 4.596 107 HG1 THR 16 1HG THR 16 0.499 1.478 6.804 108 HG21 THR 16 1HG2 THR 16 -1.223 3.245 4.410 109 HG22 THR 16 2HG2 THR 16 -2.561 2.471 5.285 110 HG23 THR 16 3HG2 THR 16 -2.078 1.867 3.682 111 H LEU 17 H LEU 17 0.026 -1.560 4.223 112 HA LEU 17 HA LEU 17 -1.671 -1.684 1.911 113 HB2 LEU 17 1HB LEU 17 0.608 -3.354 2.960 114 HB3 LEU 17 2HB LEU 17 -0.282 -3.843 1.525 115 HG LEU 17 HG LEU 17 0.840 -1.061 1.636 116 HD11 LEU 17 1HD1 LEU 17 2.451 -3.507 0.841 117 HD12 LEU 17 2HD1 LEU 17 2.712 -2.535 2.302 118 HD13 LEU 17 3HD1 LEU 17 2.956 -1.808 0.705 119 HD21 LEU 17 1HD2 LEU 17 0.540 -3.082 -0.623 120 HD22 LEU 17 2HD2 LEU 17 0.984 -1.366 -0.776 121 HD23 LEU 17 3HD2 LEU 17 -0.645 -1.812 -0.232 122 H GLN 18 H GLN 18 -1.456 -3.722 4.859 123 HA GLN 18 HA GLN 18 -3.400 -5.671 3.971 124 HB2 GLN 18 1HB GLN 18 -2.546 -4.729 6.728 125 HB3 GLN 18 2HB GLN 18 -3.739 -6.004 6.480 126 HG2 GLN 18 1HG GLN 18 -2.130 -7.409 5.423 127 HG3 GLN 18 2HG GLN 18 -0.943 -6.096 5.393 128 HE21 GLN 18 1HE2 GLN 18 0.360 -6.776 8.468 129 HE22 GLN 18 2HE2 GLN 18 0.477 -6.036 6.881 130 H PHE 19 H PHE 19 -3.678 -2.520 5.650 131 HA PHE 19 HA PHE 19 -6.475 -2.797 6.225 132 HB2 PHE 19 1HB PHE 19 -5.075 -1.152 7.350 133 HB3 PHE 19 2HB PHE 19 -4.737 -0.341 5.819 134 HD1 PHE 19 1HD PHE 19 -7.586 -1.237 8.093 135 HD2 PHE 19 2HD PHE 19 -6.067 1.428 5.080 136 HE1 PHE 19 1HE PHE 19 -9.585 0.223 8.383 137 HE2 PHE 19 2HE PHE 19 -8.060 2.893 5.354 138 HZ PHE 19 HZ PHE 19 -9.830 2.290 7.005 139 H VAL 20 H VAL 20 -4.773 -1.214 3.477 140 HA VAL 20 HA VAL 20 -7.292 -0.339 2.333 141 HB VAL 20 HB VAL 20 -4.474 -0.372 1.157 142 HG11 VAL 20 1HG1 VAL 20 -5.349 1.435 -0.337 143 HG12 VAL 20 2HG1 VAL 20 -6.117 -0.135 -0.630 144 HG13 VAL 20 3HG1 VAL 20 -6.989 1.117 0.283 145 HG21 VAL 20 1HG2 VAL 20 -4.529 0.974 3.181 146 HG22 VAL 20 2HG2 VAL 20 -4.553 2.083 1.805 147 HG23 VAL 20 3HG2 VAL 20 -6.053 1.738 2.697 148 H CYS 21 H CYS 21 -5.061 -3.050 1.598 149 HA CYS 21 HA CYS 21 -6.717 -3.783 -0.748 150 HB2 CYS 21 1HB CYS 21 -4.260 -3.932 -0.831 151 HB3 CYS 21 2HB CYS 21 -4.274 -5.049 0.533 152 H GLY 22 H GLY 22 -6.555 -4.448 2.633 153 HA2 GLY 22 1HA GLY 22 -7.911 -5.833 3.903 154 HA3 GLY 22 2HA GLY 22 -8.683 -6.428 2.415 155 H ASP 23 H ASP 23 -8.430 -8.455 3.756 156 HA ASP 23 HA ASP 23 -5.862 -9.638 4.104 157 HB2 ASP 23 1HB ASP 23 -8.175 -10.197 5.185 158 HB3 ASP 23 2HB ASP 23 -8.359 -11.288 3.801 159 H ARG 24 H ARG 24 -7.063 -8.888 1.165 160 HA ARG 24 HA ARG 24 -6.989 -11.328 -0.335 161 HB2 ARG 24 1HB ARG 24 -6.692 -8.380 -0.911 162 HB3 ARG 24 2HB ARG 24 -6.359 -9.550 -2.180 163 HG2 ARG 24 1HG ARG 24 -8.571 -8.704 -2.420 164 HG3 ARG 24 2HG ARG 24 -8.660 -10.416 -2.013 165 HD2 ARG 24 1HD ARG 24 -8.911 -8.341 0.163 166 HD3 ARG 24 2HD ARG 24 -10.279 -8.636 -0.925 167 HE ARG 24 HE ARG 24 -9.254 -11.119 0.087 168 HH11 ARG 24 1HH1 ARG 24 -11.247 -8.376 1.066 169 HH12 ARG 24 2HH1 ARG 24 -12.139 -9.319 2.234 170 HH21 ARG 24 1HH2 ARG 24 -10.430 -12.263 1.585 171 HH22 ARG 24 2HH2 ARG 24 -11.681 -11.485 2.519 172 H GLY 25 H GLY 25 -4.453 -9.254 0.908 173 HA2 GLY 25 1HA GLY 25 -2.146 -9.825 0.926 174 HA3 GLY 25 2HA GLY 25 -2.424 -10.994 -0.388 175 H PHE 26 H PHE 26 -0.351 -9.015 -0.470 176 HA PHE 26 HA PHE 26 -1.173 -7.412 -2.820 177 HB2 PHE 26 1HB PHE 26 -0.231 -5.353 -1.685 178 HB3 PHE 26 2HB PHE 26 -1.763 -5.900 -1.005 179 HD1 PHE 26 1HD PHE 26 -1.936 -6.679 1.264 180 HD2 PHE 26 2HD PHE 26 1.913 -5.784 -0.445 181 HE1 PHE 26 1HE PHE 26 -0.886 -6.847 3.511 182 HE2 PHE 26 2HE PHE 26 2.948 -5.952 1.814 183 HZ PHE 26 HZ PHE 26 1.530 -6.469 3.785 184 H TYR 27 H TYR 27 0.876 -6.258 -3.653 185 HA TYR 27 HA TYR 27 3.342 -7.642 -2.684 186 HB2 TYR 27 1HB TYR 27 2.600 -7.276 -5.610 187 HB3 TYR 27 2HB TYR 27 4.075 -8.024 -4.980 188 HD1 TYR 27 1HD TYR 27 3.866 -10.225 -3.662 189 HD2 TYR 27 2HD TYR 27 0.588 -8.553 -5.899 190 HE1 TYR 27 1HE TYR 27 2.705 -12.437 -3.627 191 HE2 TYR 27 2HE TYR 27 -0.553 -10.774 -5.870 192 HH TYR 27 HH TYR 27 -0.495 -12.933 -5.115 193 H PHE 28 H PHE 28 5.171 -6.357 -2.702 194 HA PHE 28 HA PHE 28 5.263 -3.892 -4.241 195 HB2 PHE 28 1HB PHE 28 5.240 -2.384 -2.548 196 HB3 PHE 28 2HB PHE 28 3.868 -3.387 -2.154 197 HD1 PHE 28 1HD PHE 28 4.198 -5.173 -0.323 198 HD2 PHE 28 2HD PHE 28 6.987 -1.960 -1.011 199 HE1 PHE 28 1HE PHE 28 5.102 -5.470 1.967 200 HE2 PHE 28 2HE PHE 28 7.909 -2.259 1.272 201 HZ PHE 28 HZ PHE 28 6.973 -4.020 2.774 202 H SER 29 H SER 29 7.391 -2.858 -3.922 203 HA SER 29 HA SER 29 9.656 -3.029 -4.008 204 HB2 SER 29 1HB SER 29 9.100 -2.686 -1.551 205 HB3 SER 29 2HB SER 29 9.435 -4.415 -1.329 206 HG SER 29 HG SER 29 11.524 -4.079 -1.983 207 H ARG 30 H ARG 30 8.710 -4.983 -5.561 208 HA ARG 30 HA ARG 30 10.003 -7.480 -4.878 209 HB2 ARG 30 1HB ARG 30 8.081 -6.552 -6.733 210 HB3 ARG 30 2HB ARG 30 9.432 -7.159 -7.703 211 HG2 ARG 30 1HG ARG 30 8.649 -8.798 -5.414 212 HG3 ARG 30 2HG ARG 30 7.442 -8.653 -6.704 213 HD2 ARG 30 1HD ARG 30 9.437 -9.191 -8.312 214 HD3 ARG 30 2HD ARG 30 10.246 -9.792 -6.865 215 HE ARG 30 HE ARG 30 7.923 -10.969 -8.240 216 HH11 ARG 30 1HH1 ARG 30 9.977 -11.108 -5.365 217 HH12 ARG 30 2HH1 ARG 30 9.459 -12.723 -4.964 218 HH21 ARG 30 1HH2 ARG 30 7.313 -13.022 -7.657 219 HH22 ARG 30 2HH2 ARG 30 7.988 -13.786 -6.246 220 HA PRO 31 HA PRO 31 13.791 -6.222 -6.706 221 HB2 PRO 31 1HB PRO 31 15.197 -8.559 -6.788 222 HB3 PRO 31 2HB PRO 31 14.907 -7.688 -5.245 223 HG2 PRO 31 1HG PRO 31 13.357 -9.982 -6.439 224 HG3 PRO 31 2HG PRO 31 14.048 -9.828 -4.791 225 HD2 PRO 31 1HD PRO 31 11.449 -9.263 -5.303 226 HD3 PRO 31 2HD PRO 31 12.397 -8.303 -4.119 227 H ALA 32 H ALA 32 14.964 -6.568 -8.761 228 HA ALA 32 HA ALA 32 13.762 -8.374 -10.728 229 HB1 ALA 32 1HB ALA 32 13.640 -5.330 -11.077 230 HB2 ALA 32 2HB ALA 32 13.171 -6.541 -12.294 231 HB3 ALA 32 3HB ALA 32 12.233 -6.384 -10.791 232 H SER 33 H SER 33 14.956 -7.974 -12.861 233 HA SER 33 HA SER 33 16.817 -8.033 -14.054 234 HB2 SER 33 1HB SER 33 17.925 -5.772 -12.419 235 HB3 SER 33 2HB SER 33 17.999 -6.090 -14.163 236 HG SER 33 HG SER 33 16.458 -4.430 -13.380 237 H ARG 34 H ARG 34 19.300 -7.918 -14.099 238 HA ARG 34 HA ARG 34 20.286 -9.805 -12.006 239 HB2 ARG 34 1HB ARG 34 21.053 -9.169 -14.861 240 HB3 ARG 34 2HB ARG 34 22.218 -9.936 -13.785 241 HG2 ARG 34 1HG ARG 34 19.462 -11.106 -14.254 242 HG3 ARG 34 2HG ARG 34 20.856 -11.477 -15.287 243 HD2 ARG 34 1HD ARG 34 22.120 -12.217 -13.260 244 HD3 ARG 34 2HD ARG 34 20.651 -11.978 -12.292 245 HE ARG 34 HE ARG 34 19.981 -13.656 -14.463 246 HH11 ARG 34 1HH1 ARG 34 22.028 -13.831 -11.592 247 HH12 ARG 34 2HH1 ARG 34 21.887 -15.564 -11.483 248 HH21 ARG 34 1HH2 ARG 34 19.839 -15.869 -14.251 249 HH22 ARG 34 2HH2 ARG 34 20.666 -16.692 -12.960 250 H VAL 35 H VAL 35 20.372 -6.554 -12.797 251 HA VAL 35 HA VAL 35 22.931 -6.135 -11.350 252 HB VAL 35 HB VAL 35 23.343 -4.173 -12.772 253 HG11 VAL 35 1HG1 VAL 35 24.006 -5.278 -14.832 254 HG12 VAL 35 2HG1 VAL 35 24.256 -6.391 -13.470 255 HG13 VAL 35 3HG1 VAL 35 22.852 -6.598 -14.543 256 HG21 VAL 35 1HG2 VAL 35 22.011 -3.731 -14.836 257 HG22 VAL 35 2HG2 VAL 35 20.845 -4.972 -14.334 258 HG23 VAL 35 3HG2 VAL 35 21.060 -3.495 -13.360 259 H SER 36 H SER 36 22.852 -3.581 -10.804 260 HA SER 36 HA SER 36 20.578 -3.126 -9.085 261 HB2 SER 36 1HB SER 36 22.597 -1.066 -9.996 262 HB3 SER 36 2HB SER 36 21.758 -1.184 -8.429 263 HG SER 36 HG SER 36 22.969 -3.100 -8.044 264 H ARG 37 H ARG 37 20.854 -0.141 -9.997 265 HA ARG 37 HA ARG 37 19.593 1.386 -11.131 266 HB2 ARG 37 1HB ARG 37 19.565 -0.664 -13.340 267 HB3 ARG 37 2HB ARG 37 19.387 1.077 -13.504 268 HG2 ARG 37 1HG ARG 37 21.916 -0.434 -12.719 269 HG3 ARG 37 2HG ARG 37 21.589 0.337 -14.276 270 HD2 ARG 37 1HD ARG 37 21.435 2.531 -13.107 271 HD3 ARG 37 2HD ARG 37 21.900 1.718 -11.599 272 HE ARG 37 HE ARG 37 23.813 1.129 -13.636 273 HH11 ARG 37 1HH1 ARG 37 22.840 3.839 -11.586 274 HH12 ARG 37 2HH1 ARG 37 24.430 4.553 -11.621 275 HH21 ARG 37 1HH2 ARG 37 25.814 2.109 -13.635 276 HH22 ARG 37 2HH2 ARG 37 26.075 3.590 -12.757 277 H ARG 38 H ARG 38 18.196 -0.415 -9.426 278 HA ARG 38 HA ARG 38 15.879 -1.564 -10.539 279 HB2 ARG 38 1HB ARG 38 14.969 -1.438 -8.238 280 HB3 ARG 38 2HB ARG 38 16.571 -2.167 -8.351 281 HG2 ARG 38 1HG ARG 38 17.485 -0.651 -6.978 282 HG3 ARG 38 2HG ARG 38 16.745 0.716 -7.836 283 HD2 ARG 38 1HD ARG 38 15.006 -1.029 -6.150 284 HD3 ARG 38 2HD ARG 38 16.075 0.132 -5.340 285 HE ARG 38 HE ARG 38 13.874 0.781 -7.258 286 HH11 ARG 38 1HH1 ARG 38 16.173 1.971 -4.824 287 HH12 ARG 38 2HH1 ARG 38 15.443 3.554 -4.816 288 HH21 ARG 38 1HH2 ARG 38 13.043 2.758 -7.177 289 HH22 ARG 38 2HH2 ARG 38 13.672 4.006 -6.130 290 H SER 39 H SER 39 13.741 -0.994 -10.619 291 HA SER 39 HA SER 39 13.227 1.705 -11.473 292 HB2 SER 39 1HB SER 39 11.255 -0.537 -10.896 293 HB3 SER 39 2HB SER 39 11.019 0.853 -11.980 294 HG SER 39 HG SER 39 11.616 -1.015 -13.144 295 H ARG 40 H ARG 40 11.118 2.769 -10.773 296 HA ARG 40 HA ARG 40 11.203 3.547 -8.003 297 HB2 ARG 40 1HB ARG 40 9.198 4.817 -8.523 298 HB3 ARG 40 2HB ARG 40 10.366 4.986 -9.837 299 HG2 ARG 40 1HG ARG 40 9.091 3.282 -11.155 300 HG3 ARG 40 2HG ARG 40 7.906 3.184 -9.842 301 HD2 ARG 40 1HD ARG 40 7.034 4.629 -11.550 302 HD3 ARG 40 2HD ARG 40 7.442 5.623 -10.136 303 HE ARG 40 HE ARG 40 9.713 5.731 -11.699 304 HH11 ARG 40 1HH1 ARG 40 6.324 6.520 -12.312 305 HH12 ARG 40 2HH1 ARG 40 6.728 7.740 -13.487 306 HH21 ARG 40 1HH2 ARG 40 10.146 7.308 -13.203 307 HH22 ARG 40 2HH2 ARG 40 8.852 8.175 -13.980 308 H GLY 41 H GLY 41 9.282 3.350 -6.506 309 HA2 GLY 41 1HA GLY 41 7.462 1.120 -6.954 310 HA3 GLY 41 2HA GLY 41 8.711 0.772 -5.740 311 H ILE 42 H ILE 42 6.354 0.654 -4.611 312 HA ILE 42 HA ILE 42 5.071 3.083 -3.962 313 HB ILE 42 HB ILE 42 4.036 0.896 -3.712 314 HG12 ILE 42 1HG1 ILE 42 3.999 2.131 -0.982 315 HG13 ILE 42 2HG1 ILE 42 3.527 3.114 -2.373 316 HG21 ILE 42 1HG2 ILE 42 4.476 -0.485 -1.716 317 HG22 ILE 42 2HG2 ILE 42 5.889 -0.403 -2.779 318 HG23 ILE 42 3HG2 ILE 42 5.837 0.564 -1.277 319 HD11 ILE 42 1HD1 ILE 42 2.295 0.447 -1.794 320 HD12 ILE 42 2HD1 ILE 42 1.700 1.997 -1.165 321 HD13 ILE 42 3HD1 ILE 42 1.757 1.729 -2.915 322 H VAL 43 H VAL 43 7.979 1.678 -2.463 323 HA VAL 43 HA VAL 43 7.794 3.216 -0.056 324 HB VAL 43 HB VAL 43 9.336 1.282 -0.349 325 HG11 VAL 43 1HG1 VAL 43 11.031 3.157 -2.053 326 HG12 VAL 43 2HG1 VAL 43 11.469 1.519 -1.513 327 HG13 VAL 43 3HG1 VAL 43 10.122 1.737 -2.643 328 HG21 VAL 43 1HG2 VAL 43 10.766 3.863 0.398 329 HG22 VAL 43 2HG2 VAL 43 9.689 2.917 1.459 330 HG23 VAL 43 3HG2 VAL 43 11.217 2.212 0.897 331 H GLU 44 H GLU 44 8.819 4.018 -3.345 332 HA GLU 44 HA GLU 44 10.013 6.561 -2.661 333 HB2 GLU 44 1HB GLU 44 9.625 4.940 -4.944 334 HB3 GLU 44 2HB GLU 44 8.838 6.486 -5.289 335 HG2 GLU 44 1HG GLU 44 10.894 7.664 -4.758 336 HG3 GLU 44 2HG GLU 44 11.672 6.123 -4.330 337 H GLU 45 H GLU 45 6.799 5.353 -3.176 338 HA GLU 45 HA GLU 45 5.654 8.005 -3.656 339 HB2 GLU 45 1HB GLU 45 4.435 5.256 -3.319 340 HB3 GLU 45 2HB GLU 45 3.542 6.702 -3.781 341 HG2 GLU 45 1HG GLU 45 4.734 6.878 -5.863 342 HG3 GLU 45 2HG GLU 45 5.896 5.639 -5.378 343 H CYS 46 H CYS 46 5.881 5.679 -0.975 344 HA CYS 46 HA CYS 46 4.094 7.444 0.635 345 HB2 CYS 46 1HB CYS 46 4.917 4.550 1.001 346 HB3 CYS 46 2HB CYS 46 3.959 5.469 2.160 347 H CYS 47 H CYS 47 7.453 6.569 0.429 348 HA CYS 47 HA CYS 47 7.818 7.507 3.251 349 HB2 CYS 47 1HB CYS 47 8.566 5.175 2.704 350 HB3 CYS 47 2HB CYS 47 9.737 5.859 1.579 351 H PHE 48 H PHE 48 9.365 7.611 -0.005 352 HA PHE 48 HA PHE 48 11.114 9.805 0.701 353 HB2 PHE 48 1HB PHE 48 10.181 8.629 -1.926 354 HB3 PHE 48 2HB PHE 48 11.227 10.033 -1.863 355 HD1 PHE 48 1HD PHE 48 13.549 9.849 -1.550 356 HD2 PHE 48 2HD PHE 48 11.030 6.440 -0.844 357 HE1 PHE 48 1HE PHE 48 15.562 8.396 -1.394 358 HE2 PHE 48 2HE PHE 48 13.024 4.978 -0.698 359 HZ PHE 48 HZ PHE 48 15.306 5.954 -0.950 360 H ARG 49 H ARG 49 7.849 9.535 -0.550 361 HA ARG 49 HA ARG 49 7.406 12.380 0.170 362 HB2 ARG 49 1HB ARG 49 6.019 12.767 -1.827 363 HB3 ARG 49 2HB ARG 49 7.701 12.473 -2.270 364 HG2 ARG 49 1HG ARG 49 7.153 10.726 -3.552 365 HG3 ARG 49 2HG ARG 49 6.200 9.990 -2.259 366 HD2 ARG 49 1HD ARG 49 4.710 10.381 -4.064 367 HD3 ARG 49 2HD ARG 49 4.344 11.578 -2.813 368 HE ARG 49 HE ARG 49 6.243 12.588 -4.738 369 HH11 ARG 49 1HH1 ARG 49 2.792 12.066 -4.225 370 HH12 ARG 49 2HH1 ARG 49 2.335 13.303 -5.368 371 HH21 ARG 49 1HH2 ARG 49 5.594 14.156 -6.182 372 HH22 ARG 49 2HH2 ARG 49 3.901 14.467 -6.455 373 H SER 50 H SER 50 4.824 12.615 0.204 374 HA SER 50 HA SER 50 3.836 10.271 1.698 375 HB2 SER 50 1HB SER 50 3.490 12.609 2.515 376 HB3 SER 50 2HB SER 50 2.488 12.935 1.088 377 HG SER 50 HG SER 50 1.031 11.353 1.820 378 H CYS 51 H CYS 51 1.955 9.093 1.160 379 HA CYS 51 HA CYS 51 1.111 9.323 -1.705 380 HB2 CYS 51 1HB CYS 51 0.619 6.896 -1.571 381 HB3 CYS 51 2HB CYS 51 2.316 7.281 -1.350 382 H ASP 52 H ASP 52 -1.098 7.921 -1.863 383 HA ASP 52 HA ASP 52 -2.967 8.949 0.224 384 HB2 ASP 52 1HB ASP 52 -3.216 9.256 -2.794 385 HB3 ASP 52 2HB ASP 52 -4.519 9.588 -1.641 386 H LEU 53 H LEU 53 -5.106 7.876 0.058 387 HA LEU 53 HA LEU 53 -4.916 5.133 0.286 388 HB2 LEU 53 1HB LEU 53 -6.710 6.706 1.069 389 HB3 LEU 53 2HB LEU 53 -7.338 6.772 -0.556 390 HG LEU 53 HG LEU 53 -8.735 5.487 0.917 391 HD11 LEU 53 1HD1 LEU 53 -7.510 3.505 -1.013 392 HD12 LEU 53 2HD1 LEU 53 -8.630 4.801 -1.490 393 HD13 LEU 53 3HD1 LEU 53 -9.160 3.533 -0.368 394 HD21 LEU 53 1HD2 LEU 53 -7.004 4.702 2.459 395 HD22 LEU 53 2HD2 LEU 53 -6.395 3.592 1.208 396 HD23 LEU 53 3HD2 LEU 53 -8.021 3.365 1.886 397 H ALA 54 H ALA 54 -6.302 6.844 -2.557 398 HA ALA 54 HA ALA 54 -6.941 4.445 -3.944 399 HB1 ALA 54 1HB ALA 54 -6.441 7.245 -5.030 400 HB2 ALA 54 2HB ALA 54 -7.313 5.930 -5.856 401 HB3 ALA 54 3HB ALA 54 -7.981 6.640 -4.363 402 H LEU 55 H LEU 55 -3.999 6.392 -3.892 403 HA LEU 55 HA LEU 55 -2.753 5.071 -6.141 404 HB2 LEU 55 1HB LEU 55 -1.854 7.152 -5.552 405 HB3 LEU 55 2HB LEU 55 -1.882 6.795 -3.837 406 HG LEU 55 HG LEU 55 0.064 5.398 -3.995 407 HD11 LEU 55 1HD1 LEU 55 1.334 5.465 -6.270 408 HD12 LEU 55 2HD1 LEU 55 -0.277 5.731 -6.973 409 HD13 LEU 55 3HD1 LEU 55 0.064 4.267 -6.008 410 HD21 LEU 55 1HD2 LEU 55 1.664 7.132 -4.627 411 HD22 LEU 55 2HD2 LEU 55 0.298 7.826 -3.744 412 HD23 LEU 55 3HD2 LEU 55 0.397 8.010 -5.511 413 H LEU 56 H LEU 56 -2.635 4.674 -2.574 414 HA LEU 56 HA LEU 56 -0.730 2.579 -2.597 415 HB2 LEU 56 1HB LEU 56 -1.652 4.037 -0.680 416 HB3 LEU 56 2HB LEU 56 -2.973 2.872 -0.557 417 HG LEU 56 HG LEU 56 -0.191 1.814 -0.567 418 HD11 LEU 56 1HD1 LEU 56 0.090 2.321 1.840 419 HD12 LEU 56 2HD1 LEU 56 -1.384 3.323 1.776 420 HD13 LEU 56 3HD1 LEU 56 0.051 3.781 0.834 421 HD21 LEU 56 1HD2 LEU 56 -2.088 0.273 -0.298 422 HD22 LEU 56 2HD2 LEU 56 -2.591 1.164 1.152 423 HD23 LEU 56 3HD2 LEU 56 -1.051 0.296 1.138 424 H GLU 57 H GLU 57 -4.231 2.582 -2.959 425 HA GLU 57 HA GLU 57 -4.792 -0.154 -2.632 426 HB2 GLU 57 1HB GLU 57 -6.341 1.837 -2.838 427 HB3 GLU 57 2HB GLU 57 -6.107 1.767 -4.582 428 HG2 GLU 57 1HG GLU 57 -7.125 -0.422 -4.681 429 HG3 GLU 57 2HG GLU 57 -7.187 -0.504 -2.919 430 HE2 GLU 57 HE2 GLU 57 -9.272 -0.920 -3.493 431 H THR 58 H THR 58 -3.224 1.446 -5.344 432 HA THR 58 HA THR 58 -3.938 -0.518 -7.305 433 HB THR 58 HB THR 58 -2.246 0.505 -8.718 434 HG1 THR 58 1HG THR 58 -1.458 2.036 -6.442 435 HG21 THR 58 1HG2 THR 58 -4.408 1.741 -8.245 436 HG22 THR 58 2HG2 THR 58 -3.051 2.803 -8.685 437 HG23 THR 58 3HG2 THR 58 -3.555 2.660 -6.989 438 H TYR 59 H TYR 59 -1.628 -0.631 -4.734 439 HA TYR 59 HA TYR 59 0.002 -2.711 -6.074 440 HB2 TYR 59 1HB TYR 59 0.161 -1.324 -3.384 441 HB3 TYR 59 2HB TYR 59 1.212 -2.674 -3.836 442 HD1 TYR 59 1HD TYR 59 3.104 -2.368 -5.269 443 HD2 TYR 59 2HD TYR 59 0.249 0.821 -4.816 444 HE1 TYR 59 1HE TYR 59 4.639 -0.803 -6.482 445 HE2 TYR 59 2HE TYR 59 1.772 2.358 -6.027 446 HH TYR 59 HH TYR 59 3.778 2.628 -7.032 447 H CYS 60 H CYS 60 -2.966 -2.759 -4.796 448 HA CYS 60 HA CYS 60 -2.926 -5.030 -3.014 449 HB2 CYS 60 1HB CYS 60 -4.806 -3.359 -3.402 450 HB3 CYS 60 2HB CYS 60 -5.084 -4.138 -4.957 451 H ALA 61 H ALA 61 -3.399 -7.270 -3.594 452 HA ALA 61 HA ALA 61 -1.974 -8.131 -5.902 453 HB1 ALA 61 1HB ALA 61 -2.239 -9.567 -3.983 454 HB2 ALA 61 2HB ALA 61 -4.012 -9.537 -4.157 455 HB3 ALA 61 3HB ALA 61 -3.014 -10.345 -5.387 456 H THR 62 H THR 62 -2.586 -8.767 -7.918 457 HA THR 62 HA THR 62 -5.023 -7.753 -8.999 458 HB THR 62 HB THR 62 -4.315 -9.126 -11.028 459 HG1 THR 62 1HG THR 62 -3.189 -10.697 -9.631 460 HG21 THR 62 1HG2 THR 62 -3.510 -6.789 -10.708 461 HG22 THR 62 2HG2 THR 62 -2.305 -7.814 -11.519 462 HG23 THR 62 3HG2 THR 62 -2.112 -7.411 -9.800 463 HA PRO 63 HA PRO 63 -7.421 -11.183 -7.645 464 HB2 PRO 63 1HB PRO 63 -9.602 -11.012 -9.307 465 HB3 PRO 63 2HB PRO 63 -9.303 -9.887 -7.951 466 HG2 PRO 63 1HG PRO 63 -8.653 -9.539 -10.877 467 HG3 PRO 63 2HG PRO 63 -9.502 -8.405 -9.773 468 HD2 PRO 63 1HD PRO 63 -6.868 -8.132 -10.321 469 HD3 PRO 63 2HD PRO 63 -7.502 -7.819 -8.669 470 H ALA 64 H ALA 64 -7.978 -13.264 -8.159 471 HA ALA 64 HA ALA 64 -6.503 -14.431 -10.384 472 HB1 ALA 64 1HB ALA 64 -7.180 -16.566 -9.380 473 HB2 ALA 64 2HB ALA 64 -6.558 -15.461 -8.133 474 HB3 ALA 64 3HB ALA 64 -8.313 -15.722 -8.300 475 H LYS 65 H LYS 65 -8.323 -12.836 -11.536 476 HA LYS 65 HA LYS 65 -10.075 -12.685 -13.016 477 HB2 LYS 65 1HB LYS 65 -8.534 -14.584 -13.949 478 HB3 LYS 65 2HB LYS 65 -9.880 -15.648 -13.527 479 HG2 LYS 65 1HG LYS 65 -11.370 -14.173 -14.945 480 HG3 LYS 65 2HG LYS 65 -9.917 -13.292 -15.453 481 HD2 LYS 65 1HD LYS 65 -8.965 -15.388 -16.346 482 HD3 LYS 65 2HD LYS 65 -10.422 -16.266 -15.825 483 HE2 LYS 65 1HE LYS 65 -11.806 -14.809 -17.285 484 HE3 LYS 65 2HE LYS 65 -10.335 -13.978 -17.833 485 HZ1 LYS 65 1HZ LYS 65 -11.011 -15.707 -19.380 486 HZ2 LYS 65 2HZ LYS 65 -10.914 -16.863 -18.207 487 HZ3 LYS 65 3HZ LYS 65 -9.548 -16.091 -18.719 488 H SER 66 H SER 66 -10.802 -13.112 -10.289 489 HA SER 66 HA SER 66 -13.550 -14.095 -10.680 490 HB2 SER 66 1HB SER 66 -12.297 -16.078 -9.850 491 HB3 SER 66 2HB SER 66 -11.701 -15.119 -8.478 492 HG SER 66 HG SER 66 -13.595 -16.421 -8.036 493 H GLU 67 H GLU 67 -14.957 -13.076 -9.250 494 HA GLU 67 HA GLU 67 -13.865 -10.584 -8.123 495 HB2 GLU 67 1HB GLU 67 -15.868 -10.632 -9.705 496 HB3 GLU 67 2HB GLU 67 -16.804 -11.395 -8.420 497 HG2 GLU 67 1HG GLU 67 -17.230 -8.982 -8.349 498 HG3 GLU 67 2HG GLU 67 -16.271 -9.389 -6.931 Start of MODEL 19 1 HA ALA 1 HA ALA 1 1.192 23.369 2.395 2 HB1 ALA 1 1HB ALA 1 3.224 22.145 3.134 3 HB2 ALA 1 2HB ALA 1 2.481 21.833 4.722 4 HB3 ALA 1 3HB ALA 1 1.781 21.115 3.258 5 H TYR 2 H TYR 2 -0.864 23.734 2.438 6 HA TYR 2 HA TYR 2 -2.478 23.788 4.784 7 HB2 TYR 2 1HB TYR 2 -2.893 24.874 2.495 8 HB3 TYR 2 2HB TYR 2 -3.476 23.286 1.972 9 HD1 TYR 2 1HD TYR 2 -5.647 22.429 2.756 10 HD2 TYR 2 2HD TYR 2 -4.150 26.199 4.191 11 HE1 TYR 2 1HE TYR 2 -7.899 22.978 3.701 12 HE2 TYR 2 2HE TYR 2 -6.400 26.737 5.118 13 HH TYR 2 HH TYR 2 -8.541 26.024 5.436 14 H ARG 3 H ARG 3 -1.479 21.204 2.773 15 HA ARG 3 HA ARG 3 -3.377 19.373 4.149 16 HB2 ARG 3 1HB ARG 3 -2.067 19.049 1.430 17 HB3 ARG 3 2HB ARG 3 -3.205 17.942 2.182 18 HG2 ARG 3 1HG ARG 3 -4.925 19.791 2.177 19 HG3 ARG 3 2HG ARG 3 -3.766 20.775 1.264 20 HD2 ARG 3 1HD ARG 3 -5.217 19.836 -0.325 21 HD3 ARG 3 2HD ARG 3 -3.690 18.932 -0.444 22 HE ARG 3 HE ARG 3 -5.342 17.561 1.391 23 HH11 ARG 3 1HH1 ARG 3 -5.428 18.310 -2.051 24 HH12 ARG 3 2HH1 ARG 3 -6.349 16.885 -2.437 25 HH21 ARG 3 1HH2 ARG 3 -6.513 15.755 0.830 26 HH22 ARG 3 2HH2 ARG 3 -6.965 15.471 -0.829 27 HA PRO 4 HA PRO 4 0.220 17.623 5.881 28 HB2 PRO 4 1HB PRO 4 -0.628 15.184 6.725 29 HB3 PRO 4 2HB PRO 4 -1.306 16.707 7.395 30 HG2 PRO 4 1HG PRO 4 -2.403 14.958 5.202 31 HG3 PRO 4 2HG PRO 4 -3.224 15.564 6.680 32 HD2 PRO 4 1HD PRO 4 -3.473 16.815 4.282 33 HD3 PRO 4 2HD PRO 4 -3.421 17.741 5.821 34 H SER 5 H SER 5 1.847 15.972 5.781 35 HA SER 5 HA SER 5 1.729 14.063 3.502 36 HB2 SER 5 1HB SER 5 3.978 16.053 4.011 37 HB3 SER 5 2HB SER 5 4.076 14.673 2.895 38 HG SER 5 HG SER 5 2.082 16.689 2.729 39 H GLU 6 H GLU 6 1.303 12.664 5.387 40 HA GLU 6 HA GLU 6 3.217 12.547 7.537 41 HB2 GLU 6 1HB GLU 6 1.906 10.763 8.384 42 HB3 GLU 6 2HB GLU 6 0.805 11.962 7.700 43 HG2 GLU 6 1HG GLU 6 0.571 10.550 5.668 44 HG3 GLU 6 2HG GLU 6 1.614 9.331 6.410 45 HE2 GLU 6 HE2 GLU 6 0.957 8.568 8.333 46 H THR 7 H THR 7 3.447 11.288 4.442 47 HA THR 7 HA THR 7 4.536 9.500 3.461 48 HB THR 7 HB THR 7 7.033 9.481 4.219 49 HG1 THR 7 1HG THR 7 6.420 10.502 6.286 50 HG21 THR 7 1HG2 THR 7 6.082 10.657 2.259 51 HG22 THR 7 2HG2 THR 7 7.411 11.553 3.030 52 HG23 THR 7 3HG2 THR 7 5.731 12.067 3.306 53 H LEU 8 H LEU 8 3.408 7.723 4.071 54 HA LEU 8 HA LEU 8 3.874 6.237 6.443 55 HB2 LEU 8 1HB LEU 8 2.676 5.695 3.765 56 HB3 LEU 8 2HB LEU 8 3.125 4.325 4.748 57 HG LEU 8 HG LEU 8 1.200 6.449 5.608 58 HD11 LEU 8 1HD1 LEU 8 -0.515 4.806 5.170 59 HD12 LEU 8 2HD1 LEU 8 0.721 3.660 4.595 60 HD13 LEU 8 3HD1 LEU 8 0.413 5.162 3.696 61 HD21 LEU 8 1HD2 LEU 8 0.546 4.870 7.373 62 HD22 LEU 8 2HD2 LEU 8 2.241 5.363 7.541 63 HD23 LEU 8 3HD2 LEU 8 1.836 3.773 6.858 64 H CYS 9 H CYS 9 5.502 5.115 7.090 65 HA CYS 9 HA CYS 9 7.060 3.397 5.319 66 HB2 CYS 9 1HB CYS 9 7.966 5.973 5.375 67 HB3 CYS 9 2HB CYS 9 8.788 5.320 6.800 68 H GLY 10 H GLY 10 9.155 2.848 7.041 69 HA2 GLY 10 1HA GLY 10 9.740 1.956 9.076 70 HA3 GLY 10 2HA GLY 10 8.668 3.165 9.784 71 H GLY 11 H GLY 11 7.545 0.505 7.710 72 HA2 GLY 11 1HA GLY 11 6.514 -1.497 8.381 73 HA3 GLY 11 2HA GLY 11 6.627 -0.999 10.069 74 H GLU 12 H GLU 12 5.346 1.615 9.711 75 HA GLU 12 HA GLU 12 2.620 0.885 10.027 76 HB2 GLU 12 1HB GLU 12 3.745 3.556 9.082 77 HB3 GLU 12 2HB GLU 12 2.150 3.286 9.777 78 HG2 GLU 12 1HG GLU 12 4.823 2.977 11.199 79 HG3 GLU 12 2HG GLU 12 3.654 4.286 11.418 80 H LEU 13 H LEU 13 4.489 1.737 7.171 81 HA LEU 13 HA LEU 13 2.362 2.155 5.316 82 HB2 LEU 13 1HB LEU 13 4.717 2.651 4.838 83 HB3 LEU 13 2HB LEU 13 5.153 0.950 4.984 84 HG LEU 13 HG LEU 13 3.941 0.408 2.943 85 HD11 LEU 13 1HD1 LEU 13 3.282 3.366 2.778 86 HD12 LEU 13 2HD1 LEU 13 2.120 2.052 3.073 87 HD13 LEU 13 3HD1 LEU 13 2.963 2.155 1.529 88 HD21 LEU 13 1HD2 LEU 13 5.397 1.614 1.373 89 HD22 LEU 13 2HD2 LEU 13 6.293 1.152 2.825 90 HD23 LEU 13 3HD2 LEU 13 5.752 2.836 2.613 91 H VAL 14 H VAL 14 3.941 -0.819 6.548 92 HA VAL 14 HA VAL 14 2.730 -2.599 4.609 93 HB VAL 14 HB VAL 14 4.031 -3.190 7.312 94 HG11 VAL 14 1HG1 VAL 14 4.320 -5.495 6.433 95 HG12 VAL 14 2HG1 VAL 14 2.619 -5.053 6.655 96 HG13 VAL 14 3HG1 VAL 14 3.322 -5.054 5.025 97 HG21 VAL 14 1HG2 VAL 14 5.578 -2.117 5.695 98 HG22 VAL 14 2HG2 VAL 14 6.018 -3.804 6.003 99 HG23 VAL 14 3HG2 VAL 14 5.175 -3.370 4.500 100 H ASP 15 H ASP 15 2.009 -1.648 7.994 101 HA ASP 15 HA ASP 15 -0.185 -3.458 8.352 102 HB2 ASP 15 1HB ASP 15 0.353 -0.701 9.520 103 HB3 ASP 15 2HB ASP 15 -0.918 -1.800 10.087 104 H THR 16 H THR 16 0.075 -0.168 7.014 105 HA THR 16 HA THR 16 -2.721 0.213 6.556 106 HB THR 16 HB THR 16 -0.422 1.328 4.883 107 HG1 THR 16 1HG THR 16 -0.175 1.770 7.134 108 HG21 THR 16 1HG2 THR 16 -3.257 2.300 5.417 109 HG22 THR 16 2HG2 THR 16 -2.613 1.717 3.862 110 HG23 THR 16 3HG2 THR 16 -2.011 3.226 4.564 111 H LEU 17 H LEU 17 -0.130 -1.224 4.496 112 HA LEU 17 HA LEU 17 -1.814 -1.632 2.213 113 HB2 LEU 17 1HB LEU 17 0.721 -2.900 3.224 114 HB3 LEU 17 2HB LEU 17 -0.103 -3.570 1.824 115 HG LEU 17 HG LEU 17 0.580 -0.640 1.883 116 HD11 LEU 17 1HD1 LEU 17 2.413 -2.928 1.145 117 HD12 LEU 17 2HD1 LEU 17 2.621 -1.787 2.495 118 HD13 LEU 17 3HD1 LEU 17 2.729 -1.218 0.823 119 HD21 LEU 17 1HD2 LEU 17 0.634 -0.906 -0.540 120 HD22 LEU 17 2HD2 LEU 17 -0.877 -1.612 0.069 121 HD23 LEU 17 3HD2 LEU 17 0.474 -2.671 -0.391 122 H GLN 18 H GLN 18 -1.179 -3.680 5.100 123 HA GLN 18 HA GLN 18 -2.690 -5.930 4.133 124 HB2 GLN 18 1HB GLN 18 -2.063 -4.946 6.938 125 HB3 GLN 18 2HB GLN 18 -2.946 -6.437 6.609 126 HG2 GLN 18 1HG GLN 18 -1.021 -7.328 5.369 127 HG3 GLN 18 2HG GLN 18 -0.120 -5.841 5.680 128 HE21 GLN 18 1HE2 GLN 18 1.268 -7.406 8.458 129 HE22 GLN 18 2HE2 GLN 18 1.504 -6.650 6.898 130 H PHE 19 H PHE 19 -3.593 -3.044 6.067 131 HA PHE 19 HA PHE 19 -6.305 -3.838 6.471 132 HB2 PHE 19 1HB PHE 19 -5.131 -2.083 7.764 133 HB3 PHE 19 2HB PHE 19 -5.081 -1.057 6.323 134 HD1 PHE 19 1HD PHE 19 -7.330 -2.602 8.854 135 HD2 PHE 19 2HD PHE 19 -6.978 0.237 5.639 136 HE1 PHE 19 1HE PHE 19 -9.559 -1.664 9.448 137 HE2 PHE 19 2HE PHE 19 -9.210 1.184 6.218 138 HZ PHE 19 HZ PHE 19 -10.509 0.237 8.129 139 H VAL 20 H VAL 20 -4.840 -1.732 3.946 140 HA VAL 20 HA VAL 20 -7.379 -1.092 2.738 141 HB VAL 20 HB VAL 20 -4.511 -0.909 1.670 142 HG11 VAL 20 1HG1 VAL 20 -5.452 0.686 -0.022 143 HG12 VAL 20 2HG1 VAL 20 -5.992 -0.988 -0.255 144 HG13 VAL 20 3HG1 VAL 20 -7.090 0.203 0.483 145 HG21 VAL 20 1HG2 VAL 20 -4.967 0.560 3.597 146 HG22 VAL 20 2HG2 VAL 20 -4.813 1.524 2.117 147 HG23 VAL 20 3HG2 VAL 20 -6.421 1.179 2.802 148 H CYS 21 H CYS 21 -4.893 -3.581 2.004 149 HA CYS 21 HA CYS 21 -6.382 -4.359 -0.382 150 HB2 CYS 21 1HB CYS 21 -3.972 -5.617 0.942 151 HB3 CYS 21 2HB CYS 21 -4.622 -6.030 -0.656 152 H GLY 22 H GLY 22 -6.086 -5.554 2.945 153 HA2 GLY 22 1HA GLY 22 -7.391 -7.120 4.013 154 HA3 GLY 22 2HA GLY 22 -8.498 -7.055 2.632 155 H ASP 23 H ASP 23 -8.925 -9.047 2.148 156 HA ASP 23 HA ASP 23 -7.199 -11.290 2.466 157 HB2 ASP 23 1HB ASP 23 -8.963 -12.504 1.293 158 HB3 ASP 23 2HB ASP 23 -9.685 -11.371 2.448 159 H ARG 24 H ARG 24 -7.259 -8.916 -0.024 160 HA ARG 24 HA ARG 24 -6.568 -10.690 -2.189 161 HB2 ARG 24 1HB ARG 24 -6.397 -7.696 -1.865 162 HB3 ARG 24 2HB ARG 24 -6.112 -8.559 -3.372 163 HG2 ARG 24 1HG ARG 24 -8.383 -9.381 -3.428 164 HG3 ARG 24 2HG ARG 24 -8.724 -8.696 -1.826 165 HD2 ARG 24 1HD ARG 24 -7.831 -7.057 -4.201 166 HD3 ARG 24 2HD ARG 24 -9.539 -7.351 -3.798 167 HE ARG 24 HE ARG 24 -8.481 -6.415 -1.434 168 HH11 ARG 24 1HH1 ARG 24 -8.479 -5.114 -4.711 169 HH12 ARG 24 2HH1 ARG 24 -8.484 -3.458 -4.160 170 HH21 ARG 24 1HH2 ARG 24 -8.514 -4.291 -0.791 171 HH22 ARG 24 2HH2 ARG 24 -8.510 -3.004 -1.959 172 H GLY 25 H GLY 25 -4.557 -8.996 0.178 173 HA2 GLY 25 1HA GLY 25 -2.259 -9.214 0.442 174 HA3 GLY 25 2HA GLY 25 -2.194 -10.218 -1.024 175 H PHE 26 H PHE 26 -0.203 -8.545 -0.917 176 HA PHE 26 HA PHE 26 -0.802 -6.469 -2.914 177 HB2 PHE 26 1HB PHE 26 0.104 -4.658 -1.561 178 HB3 PHE 26 2HB PHE 26 -1.292 -5.395 -0.770 179 HD1 PHE 26 1HD PHE 26 -1.113 -6.511 1.362 180 HD2 PHE 26 2HD PHE 26 2.409 -5.077 -0.649 181 HE1 PHE 26 1HE PHE 26 0.224 -6.891 3.440 182 HE2 PHE 26 2HE PHE 26 3.750 -5.471 1.417 183 HZ PHE 26 HZ PHE 26 2.656 -6.372 3.459 184 H TYR 27 H TYR 27 1.126 -5.191 -3.535 185 HA TYR 27 HA TYR 27 3.554 -6.946 -3.566 186 HB2 TYR 27 1HB TYR 27 2.620 -4.729 -5.421 187 HB3 TYR 27 2HB TYR 27 4.184 -5.550 -5.541 188 HD1 TYR 27 1HD TYR 27 0.600 -5.762 -6.293 189 HD2 TYR 27 2HD TYR 27 4.259 -8.027 -6.060 190 HE1 TYR 27 1HE TYR 27 -0.411 -7.574 -7.678 191 HE2 TYR 27 2HE TYR 27 3.229 -9.830 -7.441 192 HH TYR 27 HH TYR 27 -0.119 -9.648 -8.633 193 H PHE 28 H PHE 28 5.550 -6.147 -3.003 194 HA PHE 28 HA PHE 28 5.656 -3.355 -1.928 195 HB2 PHE 28 1HB PHE 28 5.465 -5.458 -0.280 196 HB3 PHE 28 2HB PHE 28 7.203 -5.572 -0.605 197 HD1 PHE 28 1HD PHE 28 4.515 -3.401 0.769 198 HD2 PHE 28 2HD PHE 28 8.739 -3.977 0.393 199 HE1 PHE 28 1HE PHE 28 4.898 -1.641 2.497 200 HE2 PHE 28 2HE PHE 28 9.149 -2.224 2.105 201 HZ PHE 28 HZ PHE 28 7.220 -1.040 3.159 202 H SER 29 H SER 29 8.100 -2.775 -1.572 203 HA SER 29 HA SER 29 9.606 -3.680 -3.991 204 HB2 SER 29 1HB SER 29 9.236 -1.227 -3.700 205 HB3 SER 29 2HB SER 29 10.119 -1.301 -2.165 206 HG SER 29 HG SER 29 11.588 -0.739 -3.723 207 H ARG 30 H ARG 30 11.586 -4.710 -3.759 208 HA ARG 30 HA ARG 30 12.675 -4.940 -1.057 209 HB2 ARG 30 1HB ARG 30 11.131 -6.966 -2.237 210 HB3 ARG 30 2HB ARG 30 12.795 -7.551 -2.209 211 HG2 ARG 30 1HG ARG 30 11.453 -6.395 0.243 212 HG3 ARG 30 2HG ARG 30 11.328 -8.104 -0.203 213 HD2 ARG 30 1HD ARG 30 13.839 -8.247 -0.191 214 HD3 ARG 30 2HD ARG 30 13.892 -6.582 0.412 215 HE ARG 30 HE ARG 30 13.176 -7.314 2.508 216 HH11 ARG 30 1HH1 ARG 30 12.912 -10.023 0.243 217 HH12 ARG 30 2HH1 ARG 30 12.631 -11.177 1.516 218 HH21 ARG 30 1HH2 ARG 30 12.791 -8.857 4.071 219 HH22 ARG 30 2HH2 ARG 30 12.558 -10.523 3.632 220 HA PRO 31 HA PRO 31 16.236 -6.372 -3.656 221 HB2 PRO 31 1HB PRO 31 16.153 -6.436 -6.379 222 HB3 PRO 31 2HB PRO 31 15.450 -7.760 -5.395 223 HG2 PRO 31 1HG PRO 31 14.063 -5.390 -6.647 224 HG3 PRO 31 2HG PRO 31 13.624 -7.124 -6.736 225 HD2 PRO 31 1HD PRO 31 12.482 -5.403 -4.932 226 HD3 PRO 31 2HD PRO 31 12.764 -7.123 -4.544 227 H ALA 32 H ALA 32 18.046 -5.194 -4.502 228 HA ALA 32 HA ALA 32 17.465 -2.334 -5.089 229 HB1 ALA 32 1HB ALA 32 19.832 -1.956 -4.508 230 HB2 ALA 32 2HB ALA 32 19.005 -2.809 -3.179 231 HB3 ALA 32 3HB ALA 32 20.077 -3.704 -4.286 232 H SER 33 H SER 33 18.240 -1.402 -6.965 233 HA SER 33 HA SER 33 19.265 -3.289 -9.063 234 HB2 SER 33 1HB SER 33 17.835 -0.605 -9.272 235 HB3 SER 33 2HB SER 33 18.535 -1.478 -10.652 236 HG SER 33 HG SER 33 16.582 -2.563 -8.890 237 H ARG 34 H ARG 34 21.010 -2.434 -10.406 238 HA ARG 34 HA ARG 34 23.079 -1.180 -8.866 239 HB2 ARG 34 1HB ARG 34 22.737 -1.943 -11.761 240 HB3 ARG 34 2HB ARG 34 24.038 -0.835 -11.318 241 HG2 ARG 34 1HG ARG 34 25.110 -2.859 -11.238 242 HG3 ARG 34 2HG ARG 34 24.674 -2.604 -9.541 243 HD2 ARG 34 1HD ARG 34 22.775 -4.136 -9.770 244 HD3 ARG 34 2HD ARG 34 23.101 -4.314 -11.510 245 HE ARG 34 HE ARG 34 25.449 -4.984 -10.033 246 HH11 ARG 34 1HH1 ARG 34 22.258 -6.335 -10.720 247 HH12 ARG 34 2HH1 ARG 34 22.807 -7.971 -10.503 248 HH21 ARG 34 1HH2 ARG 34 26.068 -7.097 -9.759 249 HH22 ARG 34 2HH2 ARG 34 24.929 -8.398 -9.980 250 H VAL 35 H VAL 35 20.604 0.123 -10.970 251 HA VAL 35 HA VAL 35 21.613 2.841 -10.371 252 HB VAL 35 HB VAL 35 20.789 3.578 -12.589 253 HG11 VAL 35 1HG1 VAL 35 23.193 2.950 -12.244 254 HG12 VAL 35 2HG1 VAL 35 22.824 1.332 -12.872 255 HG13 VAL 35 3HG1 VAL 35 22.647 2.758 -13.924 256 HG21 VAL 35 1HG2 VAL 35 20.250 1.970 -14.356 257 HG22 VAL 35 2HG2 VAL 35 20.450 0.622 -13.220 258 HG23 VAL 35 3HG2 VAL 35 19.121 1.794 -13.002 259 H SER 36 H SER 36 19.812 4.458 -10.541 260 HA SER 36 HA SER 36 17.498 3.502 -9.066 261 HB2 SER 36 1HB SER 36 16.846 5.888 -9.137 262 HB3 SER 36 2HB SER 36 18.527 5.676 -8.612 263 HG SER 36 HG SER 36 18.486 7.286 -10.141 264 H ARG 37 H ARG 37 15.470 5.085 -10.049 265 HA ARG 37 HA ARG 37 13.613 4.827 -11.314 266 HB2 ARG 37 1HB ARG 37 13.811 5.627 -13.559 267 HB3 ARG 37 2HB ARG 37 14.786 6.572 -12.441 268 HG2 ARG 37 1HG ARG 37 16.811 5.732 -13.290 269 HG3 ARG 37 2HG ARG 37 15.995 4.368 -14.075 270 HD2 ARG 37 1HD ARG 37 16.467 5.792 -15.797 271 HD3 ARG 37 2HD ARG 37 14.749 6.042 -15.430 272 HE ARG 37 HE ARG 37 16.260 7.938 -13.958 273 HH11 ARG 37 1HH1 ARG 37 15.432 7.298 -17.330 274 HH12 ARG 37 2HH1 ARG 37 15.584 8.973 -17.780 275 HH21 ARG 37 1HH2 ARG 37 16.438 10.056 -14.611 276 HH22 ARG 37 2HH2 ARG 37 16.150 10.503 -16.270 277 H ARG 38 H ARG 38 14.635 2.254 -10.723 278 HA ARG 38 HA ARG 38 13.501 0.809 -13.081 279 HB2 ARG 38 1HB ARG 38 15.580 -0.214 -11.117 280 HB3 ARG 38 2HB ARG 38 14.801 -1.170 -12.384 281 HG2 ARG 38 1HG ARG 38 15.750 0.847 -13.894 282 HG3 ARG 38 2HG ARG 38 16.947 0.866 -12.585 283 HD2 ARG 38 1HD ARG 38 17.369 -1.536 -12.928 284 HD3 ARG 38 2HD ARG 38 16.157 -1.575 -14.220 285 HE ARG 38 HE ARG 38 18.873 -0.493 -14.367 286 HH11 ARG 38 1HH1 ARG 38 15.709 -0.520 -15.941 287 HH12 ARG 38 2HH1 ARG 38 16.376 -0.042 -17.481 288 HH21 ARG 38 1HH2 ARG 38 19.637 0.129 -16.355 289 HH22 ARG 38 2HH2 ARG 38 18.553 0.332 -17.699 290 H SER 39 H SER 39 12.102 -0.842 -12.705 291 HA SER 39 HA SER 39 10.456 -2.047 -11.737 292 HB2 SER 39 1HB SER 39 12.473 -2.756 -10.298 293 HB3 SER 39 2HB SER 39 11.770 -1.727 -9.037 294 HG SER 39 HG SER 39 10.996 -3.816 -8.812 295 H ARG 40 H ARG 40 8.890 -2.101 -9.709 296 HA ARG 40 HA ARG 40 7.800 0.671 -9.451 297 HB2 ARG 40 1HB ARG 40 5.665 -0.351 -8.946 298 HB3 ARG 40 2HB ARG 40 6.272 -1.073 -10.434 299 HG2 ARG 40 1HG ARG 40 6.931 -3.113 -9.226 300 HG3 ARG 40 2HG ARG 40 6.497 -2.370 -7.681 301 HD2 ARG 40 1HD ARG 40 4.698 -3.814 -8.242 302 HD3 ARG 40 2HD ARG 40 4.124 -2.161 -8.532 303 HE ARG 40 HE ARG 40 5.176 -3.180 -10.962 304 HH11 ARG 40 1HH1 ARG 40 2.410 -3.777 -8.840 305 HH12 ARG 40 2HH1 ARG 40 1.423 -4.376 -10.139 306 HH21 ARG 40 1HH2 ARG 40 3.845 -3.956 -12.571 307 HH22 ARG 40 2HH2 ARG 40 2.226 -4.484 -12.207 308 H GLY 41 H GLY 41 7.001 1.240 -7.218 309 HA2 GLY 41 1HA GLY 41 7.696 -0.565 -5.075 310 HA3 GLY 41 2HA GLY 41 8.861 0.751 -5.220 311 H ILE 42 H ILE 42 6.129 -0.263 -3.658 312 HA ILE 42 HA ILE 42 4.639 2.152 -3.387 313 HB ILE 42 HB ILE 42 3.747 -0.053 -2.696 314 HG12 ILE 42 1HG1 ILE 42 3.082 0.574 -0.277 315 HG13 ILE 42 2HG1 ILE 42 3.988 2.051 -0.533 316 HG21 ILE 42 1HG2 ILE 42 5.877 -1.054 -1.853 317 HG22 ILE 42 2HG2 ILE 42 5.753 -0.034 -0.396 318 HG23 ILE 42 3HG2 ILE 42 4.520 -1.255 -0.745 319 HD11 ILE 42 1HD1 ILE 42 2.525 2.520 -2.512 320 HD12 ILE 42 2HD1 ILE 42 1.579 1.074 -2.062 321 HD13 ILE 42 3HD1 ILE 42 1.662 2.458 -0.958 322 H VAL 43 H VAL 43 7.571 0.924 -1.800 323 HA VAL 43 HA VAL 43 7.832 2.891 0.220 324 HB VAL 43 HB VAL 43 9.912 1.335 -1.393 325 HG11 VAL 43 1HG1 VAL 43 10.986 3.379 -0.529 326 HG12 VAL 43 2HG1 VAL 43 10.332 3.058 1.092 327 HG13 VAL 43 3HG1 VAL 43 11.543 1.965 0.387 328 HG21 VAL 43 1HG2 VAL 43 10.091 0.011 0.675 329 HG22 VAL 43 2HG2 VAL 43 8.808 0.999 1.413 330 HG23 VAL 43 3HG2 VAL 43 8.450 -0.026 0.008 331 H GLU 44 H GLU 44 8.842 2.963 -3.243 332 HA GLU 44 HA GLU 44 10.045 5.534 -2.975 333 HB2 GLU 44 1HB GLU 44 10.078 3.626 -4.891 334 HB3 GLU 44 2HB GLU 44 8.994 4.826 -5.626 335 HG2 GLU 44 1HG GLU 44 10.685 6.582 -5.133 336 HG3 GLU 44 2HG GLU 44 11.755 5.312 -4.511 337 H GLU 45 H GLU 45 6.688 4.603 -3.225 338 HA GLU 45 HA GLU 45 6.058 7.374 -4.072 339 HB2 GLU 45 1HB GLU 45 4.342 4.897 -3.996 340 HB3 GLU 45 2HB GLU 45 3.757 6.527 -4.356 341 HG2 GLU 45 1HG GLU 45 5.798 6.473 -6.083 342 HG3 GLU 45 2HG GLU 45 5.496 4.732 -6.001 343 H CYS 46 H CYS 46 5.974 5.365 -1.217 344 HA CYS 46 HA CYS 46 4.285 7.436 0.115 345 HB2 CYS 46 1HB CYS 46 4.869 4.558 0.814 346 HB3 CYS 46 2HB CYS 46 4.100 5.686 1.932 347 H CYS 47 H CYS 47 7.519 5.949 0.290 348 HA CYS 47 HA CYS 47 7.998 7.384 2.857 349 HB2 CYS 47 1HB CYS 47 9.860 5.578 1.289 350 HB3 CYS 47 2HB CYS 47 10.139 6.223 2.893 351 H PHE 48 H PHE 48 9.266 7.124 -0.476 352 HA PHE 48 HA PHE 48 11.287 9.177 -0.127 353 HB2 PHE 48 1HB PHE 48 10.062 7.746 -2.478 354 HB3 PHE 48 2HB PHE 48 11.158 9.086 -2.726 355 HD1 PHE 48 1HD PHE 48 13.367 8.619 -3.097 356 HD2 PHE 48 2HD PHE 48 11.057 5.870 -0.716 357 HE1 PHE 48 1HE PHE 48 15.333 7.110 -2.940 358 HE2 PHE 48 2HE PHE 48 13.029 4.364 -0.549 359 HZ PHE 48 HZ PHE 48 15.170 4.980 -1.660 360 H ARG 49 H ARG 49 7.928 9.122 -1.053 361 HA ARG 49 HA ARG 49 7.786 12.068 -0.933 362 HB2 ARG 49 1HB ARG 49 6.308 12.027 -3.021 363 HB3 ARG 49 2HB ARG 49 8.047 11.900 -3.310 364 HG2 ARG 49 1HG ARG 49 7.945 9.718 -3.972 365 HG3 ARG 49 2HG ARG 49 6.487 9.377 -3.027 366 HD2 ARG 49 1HD ARG 49 6.392 11.241 -5.383 367 HD3 ARG 49 2HD ARG 49 6.310 9.480 -5.589 368 HE ARG 49 HE ARG 49 4.438 10.245 -3.573 369 HH11 ARG 49 1HH1 ARG 49 4.841 10.482 -7.083 370 HH12 ARG 49 2HH1 ARG 49 3.122 10.580 -7.360 371 HH21 ARG 49 1HH2 ARG 49 2.303 10.386 -3.994 372 HH22 ARG 49 2HH2 ARG 49 1.699 10.503 -5.631 373 H SER 50 H SER 50 5.271 12.542 -1.044 374 HA SER 50 HA SER 50 4.076 10.712 0.910 375 HB2 SER 50 1HB SER 50 3.932 13.239 1.018 376 HB3 SER 50 2HB SER 50 2.855 13.173 -0.394 377 HG SER 50 HG SER 50 1.535 13.131 1.349 378 H CYS 51 H CYS 51 1.924 9.780 0.667 379 HA CYS 51 HA CYS 51 1.040 9.378 -2.141 380 HB2 CYS 51 1HB CYS 51 0.709 6.984 -1.719 381 HB3 CYS 51 2HB CYS 51 2.397 7.426 -1.590 382 H ASP 52 H ASP 52 -1.129 8.035 -1.977 383 HA ASP 52 HA ASP 52 -2.811 9.166 0.213 384 HB2 ASP 52 1HB ASP 52 -3.061 10.576 -1.811 385 HB3 ASP 52 2HB ASP 52 -3.368 9.132 -2.782 386 H LEU 53 H LEU 53 -4.910 8.009 0.333 387 HA LEU 53 HA LEU 53 -4.629 5.194 0.494 388 HB2 LEU 53 1HB LEU 53 -6.276 6.533 1.730 389 HB3 LEU 53 2HB LEU 53 -7.081 6.974 0.229 390 HG LEU 53 HG LEU 53 -7.784 4.631 -0.103 391 HD11 LEU 53 1HD1 LEU 53 -6.042 3.433 1.071 392 HD12 LEU 53 2HD1 LEU 53 -7.605 3.044 1.805 393 HD13 LEU 53 3HD1 LEU 53 -6.503 4.186 2.619 394 HD21 LEU 53 1HD2 LEU 53 -9.467 4.615 1.679 395 HD22 LEU 53 2HD2 LEU 53 -9.237 6.262 1.054 396 HD23 LEU 53 3HD2 LEU 53 -8.519 5.792 2.615 397 H ALA 54 H ALA 54 -6.053 7.218 -2.142 398 HA ALA 54 HA ALA 54 -7.127 4.976 -3.589 399 HB1 ALA 54 1HB ALA 54 -7.833 7.325 -3.978 400 HB2 ALA 54 2HB ALA 54 -6.215 7.715 -4.606 401 HB3 ALA 54 3HB ALA 54 -7.257 6.570 -5.486 402 H LEU 55 H LEU 55 -3.973 6.612 -3.709 403 HA LEU 55 HA LEU 55 -2.973 5.065 -5.929 404 HB2 LEU 55 1HB LEU 55 -1.893 7.108 -5.486 405 HB3 LEU 55 2HB LEU 55 -1.815 6.795 -3.759 406 HG LEU 55 HG LEU 55 -0.044 5.172 -4.063 407 HD11 LEU 55 1HD1 LEU 55 -0.322 5.781 -7.024 408 HD12 LEU 55 2HD1 LEU 55 -0.432 4.208 -6.212 409 HD13 LEU 55 3HD1 LEU 55 1.125 5.030 -6.300 410 HD21 LEU 55 1HD2 LEU 55 0.380 7.607 -3.795 411 HD22 LEU 55 2HD2 LEU 55 0.544 7.740 -5.558 412 HD23 LEU 55 3HD2 LEU 55 1.677 6.740 -4.621 413 H LEU 56 H LEU 56 -2.771 4.786 -2.360 414 HA LEU 56 HA LEU 56 -0.957 2.615 -2.345 415 HB2 LEU 56 1HB LEU 56 -1.768 4.159 -0.462 416 HB3 LEU 56 2HB LEU 56 -3.126 3.050 -0.280 417 HG LEU 56 HG LEU 56 -0.383 1.869 -0.326 418 HD11 LEU 56 1HD1 LEU 56 -0.032 2.413 2.067 419 HD12 LEU 56 2HD1 LEU 56 -1.444 3.487 2.024 420 HD13 LEU 56 3HD1 LEU 56 -0.004 3.860 1.050 421 HD21 LEU 56 1HD2 LEU 56 -2.849 1.426 1.370 422 HD22 LEU 56 2HD2 LEU 56 -1.353 0.491 1.504 423 HD23 LEU 56 3HD2 LEU 56 -2.305 0.429 0.008 424 H GLU 57 H GLU 57 -4.468 2.705 -2.694 425 HA GLU 57 HA GLU 57 -5.025 -0.050 -2.399 426 HB2 GLU 57 1HB GLU 57 -6.612 1.886 -2.509 427 HB3 GLU 57 2HB GLU 57 -6.371 1.960 -4.244 428 HG2 GLU 57 1HG GLU 57 -7.232 -0.662 -3.058 429 HG3 GLU 57 2HG GLU 57 -8.408 0.655 -3.092 430 HE2 GLU 57 HE2 GLU 57 -9.401 -0.798 -4.358 431 H THR 58 H THR 58 -3.633 1.688 -5.168 432 HA THR 58 HA THR 58 -4.237 -0.380 -7.076 433 HB THR 58 HB THR 58 -2.774 0.785 -8.603 434 HG1 THR 58 1HG THR 58 -1.881 2.257 -6.319 435 HG21 THR 58 1HG2 THR 58 -3.712 3.019 -8.544 436 HG22 THR 58 2HG2 THR 58 -4.092 2.879 -6.815 437 HG23 THR 58 3HG2 THR 58 -4.968 1.881 -8.002 438 H TYR 59 H TYR 59 -1.906 -0.272 -4.558 439 HA TYR 59 HA TYR 59 -0.011 -2.049 -5.963 440 HB2 TYR 59 1HB TYR 59 -0.104 -0.806 -3.214 441 HB3 TYR 59 2HB TYR 59 1.033 -2.099 -3.610 442 HD1 TYR 59 1HD TYR 59 0.094 1.429 -4.368 443 HD2 TYR 59 2HD TYR 59 2.904 -1.754 -5.108 444 HE1 TYR 59 1HE TYR 59 1.685 3.051 -5.394 445 HE2 TYR 59 2HE TYR 59 4.467 -0.115 -6.154 446 HH TYR 59 HH TYR 59 4.778 2.037 -6.829 447 H CYS 60 H CYS 60 -2.985 -2.502 -4.511 448 HA CYS 60 HA CYS 60 -2.443 -4.964 -3.076 449 HB2 CYS 60 1HB CYS 60 -4.991 -3.975 -4.407 450 HB3 CYS 60 2HB CYS 60 -4.875 -5.302 -3.246 451 H ALA 61 H ALA 61 -2.971 -7.103 -3.819 452 HA ALA 61 HA ALA 61 -2.345 -7.433 -6.701 453 HB1 ALA 61 1HB ALA 61 -2.034 -9.803 -6.102 454 HB2 ALA 61 2HB ALA 61 -1.104 -8.774 -4.987 455 HB3 ALA 61 3HB ALA 61 -2.649 -9.490 -4.465 456 H THR 62 H THR 62 -3.618 -9.088 -7.864 457 HA THR 62 HA THR 62 -5.472 -9.958 -8.756 458 HB THR 62 HB THR 62 -7.093 -11.066 -7.363 459 HG1 THR 62 1HG THR 62 -6.305 -9.093 -5.513 460 HG21 THR 62 1HG2 THR 62 -4.630 -11.824 -7.290 461 HG22 THR 62 2HG2 THR 62 -5.688 -12.378 -5.973 462 HG23 THR 62 3HG2 THR 62 -4.560 -11.034 -5.690 463 HA PRO 63 HA PRO 63 -8.304 -6.820 -9.626 464 HB2 PRO 63 1HB PRO 63 -10.402 -8.044 -10.848 465 HB3 PRO 63 2HB PRO 63 -8.768 -7.991 -11.587 466 HG2 PRO 63 1HG PRO 63 -10.067 -10.179 -10.010 467 HG3 PRO 63 2HG PRO 63 -9.216 -10.279 -11.576 468 HD2 PRO 63 1HD PRO 63 -8.015 -10.890 -9.198 469 HD3 PRO 63 2HD PRO 63 -7.111 -10.167 -10.576 470 H ALA 64 H ALA 64 -10.451 -5.887 -9.166 471 HA ALA 64 HA ALA 64 -11.239 -6.373 -6.461 472 HB1 ALA 64 1HB ALA 64 -12.999 -4.709 -6.920 473 HB2 ALA 64 2HB ALA 64 -11.453 -4.161 -7.603 474 HB3 ALA 64 3HB ALA 64 -12.705 -4.851 -8.667 475 H LYS 65 H LYS 65 -13.342 -6.978 -5.714 476 HA LYS 65 HA LYS 65 -15.133 -8.345 -5.478 477 HB2 LYS 65 1HB LYS 65 -15.757 -7.064 -7.663 478 HB3 LYS 65 2HB LYS 65 -15.389 -8.581 -8.477 479 HG2 LYS 65 1HG LYS 65 -17.759 -8.474 -8.159 480 HG3 LYS 65 2HG LYS 65 -17.149 -9.694 -7.032 481 HD2 LYS 65 1HD LYS 65 -17.223 -8.018 -5.207 482 HD3 LYS 65 2HD LYS 65 -17.855 -6.820 -6.351 483 HE2 LYS 65 1HE LYS 65 -19.821 -8.244 -6.774 484 HE3 LYS 65 2HE LYS 65 -19.176 -9.473 -5.660 485 HZ1 LYS 65 1HZ LYS 65 -20.810 -8.071 -4.574 486 HZ2 LYS 65 2HZ LYS 65 -19.934 -6.708 -4.904 487 HZ3 LYS 65 3HZ LYS 65 -19.334 -7.845 -3.872 488 H SER 66 H SER 66 -12.332 -9.420 -5.954 489 HA SER 66 HA SER 66 -13.181 -12.211 -5.748 490 HB2 SER 66 1HB SER 66 -11.611 -13.051 -7.397 491 HB3 SER 66 2HB SER 66 -12.690 -11.899 -8.207 492 HG SER 66 HG SER 66 -10.833 -10.348 -7.535 493 H GLU 67 H GLU 67 -11.325 -13.454 -4.841 494 HA GLU 67 HA GLU 67 -9.741 -11.842 -3.003 495 HB2 GLU 67 1HB GLU 67 -10.627 -14.114 -2.385 496 HB3 GLU 67 2HB GLU 67 -9.571 -14.851 -3.583 497 HG2 GLU 67 1HG GLU 67 -8.453 -13.017 -1.393 498 HG3 GLU 67 2HG GLU 67 -8.780 -14.719 -1.053 Start of MODEL 20 1 HA ALA 1 HA ALA 1 -4.280 22.361 9.540 2 HB1 ALA 1 1HB ALA 1 -4.293 21.361 11.827 3 HB2 ALA 1 2HB ALA 1 -5.370 22.766 11.751 4 HB3 ALA 1 3HB ALA 1 -6.046 21.125 11.724 5 H TYR 2 H TYR 2 -2.845 20.772 9.283 6 HA TYR 2 HA TYR 2 -3.929 18.096 8.509 7 HB2 TYR 2 1HB TYR 2 -2.617 19.738 6.846 8 HB3 TYR 2 2HB TYR 2 -1.216 18.961 7.607 9 HD1 TYR 2 1HD TYR 2 -0.549 16.756 6.892 10 HD2 TYR 2 2HD TYR 2 -4.460 18.235 5.853 11 HE1 TYR 2 1HE TYR 2 -0.925 14.772 5.416 12 HE2 TYR 2 2HE TYR 2 -4.812 16.253 4.381 13 HH TYR 2 HH TYR 2 -2.330 13.748 3.911 14 H ARG 3 H ARG 3 -2.297 16.310 8.878 15 HA ARG 3 HA ARG 3 -1.119 16.738 11.577 16 HB2 ARG 3 1HB ARG 3 -1.530 14.368 11.957 17 HB3 ARG 3 2HB ARG 3 -3.014 15.186 11.465 18 HG2 ARG 3 1HG ARG 3 -2.573 14.321 9.105 19 HG3 ARG 3 2HG ARG 3 -1.290 13.315 9.807 20 HD2 ARG 3 1HD ARG 3 -2.954 12.291 11.331 21 HD3 ARG 3 2HD ARG 3 -4.224 13.301 10.606 22 HE ARG 3 HE ARG 3 -2.823 11.784 8.599 23 HH11 ARG 3 1HH1 ARG 3 -5.321 11.433 11.070 24 HH12 ARG 3 2HH1 ARG 3 -6.077 10.095 10.249 25 HH21 ARG 3 1HH2 ARG 3 -3.838 10.068 7.609 26 HH22 ARG 3 2HH2 ARG 3 -5.252 9.341 8.325 27 HA PRO 4 HA PRO 4 2.843 15.697 9.887 28 HB2 PRO 4 1HB PRO 4 4.219 14.939 12.100 29 HB3 PRO 4 2HB PRO 4 3.626 16.621 11.911 30 HG2 PRO 4 1HG PRO 4 2.361 14.324 13.386 31 HG3 PRO 4 2HG PRO 4 2.734 15.974 13.983 32 HD2 PRO 4 1HD PRO 4 0.270 15.298 13.073 33 HD3 PRO 4 2HD PRO 4 0.964 16.934 12.793 34 H SER 5 H SER 5 4.561 13.773 10.180 35 HA SER 5 HA SER 5 5.064 11.587 9.741 36 HB2 SER 5 1HB SER 5 4.267 11.439 12.153 37 HB3 SER 5 2HB SER 5 2.725 10.833 11.515 38 HG SER 5 HG SER 5 3.872 9.137 10.534 39 H GLU 6 H GLU 6 3.663 12.733 7.751 40 HA GLU 6 HA GLU 6 1.310 11.276 6.954 41 HB2 GLU 6 1HB GLU 6 3.264 12.854 5.241 42 HB3 GLU 6 2HB GLU 6 1.583 12.463 4.849 43 HG2 GLU 6 1HG GLU 6 0.837 13.863 6.753 44 HG3 GLU 6 2HG GLU 6 2.526 14.232 7.131 45 HE2 GLU 6 HE2 GLU 6 1.612 15.607 3.577 46 H THR 7 H THR 7 4.727 10.747 6.622 47 HA THR 7 HA THR 7 4.456 8.903 4.357 48 HB THR 7 HB THR 7 6.950 8.570 4.782 49 HG1 THR 7 1HG THR 7 7.892 10.007 6.253 50 HG21 THR 7 1HG2 THR 7 7.589 10.738 3.911 51 HG22 THR 7 2HG2 THR 7 6.073 11.470 4.491 52 HG23 THR 7 3HG2 THR 7 6.044 10.263 3.182 53 H LEU 8 H LEU 8 5.042 6.799 4.297 54 HA LEU 8 HA LEU 8 4.829 5.319 6.895 55 HB2 LEU 8 1HB LEU 8 3.778 4.621 4.148 56 HB3 LEU 8 2HB LEU 8 3.804 3.535 5.511 57 HG LEU 8 HG LEU 8 2.239 6.049 5.454 58 HD11 LEU 8 1HD1 LEU 8 1.369 3.246 4.810 59 HD12 LEU 8 2HD1 LEU 8 1.513 4.595 3.660 60 HD13 LEU 8 3HD1 LEU 8 0.298 4.654 4.950 61 HD21 LEU 8 1HD2 LEU 8 2.691 5.218 7.716 62 HD22 LEU 8 2HD2 LEU 8 2.035 3.628 7.248 63 HD23 LEU 8 3HD2 LEU 8 0.976 5.051 7.298 64 H CYS 9 H CYS 9 6.311 3.840 7.232 65 HA CYS 9 HA CYS 9 7.805 2.640 4.997 66 HB2 CYS 9 1HB CYS 9 8.886 4.861 6.423 67 HB3 CYS 9 2HB CYS 9 9.705 3.424 7.042 68 H GLY 10 H GLY 10 9.118 0.784 5.840 69 HA2 GLY 10 1HA GLY 10 9.310 -1.088 7.180 70 HA3 GLY 10 2HA GLY 10 8.948 -0.035 8.553 71 H GLY 11 H GLY 11 7.661 -1.442 9.660 72 HA2 GLY 11 1HA GLY 11 5.600 -3.002 8.479 73 HA3 GLY 11 2HA GLY 11 5.763 -2.608 10.195 74 H GLU 12 H GLU 12 5.602 0.408 9.356 75 HA GLU 12 HA GLU 12 2.759 0.603 9.802 76 HB2 GLU 12 1HB GLU 12 4.820 2.644 8.899 77 HB3 GLU 12 2HB GLU 12 3.129 3.038 9.208 78 HG2 GLU 12 1HG GLU 12 5.069 1.903 11.244 79 HG3 GLU 12 2HG GLU 12 4.552 3.594 11.126 80 H LEU 13 H LEU 13 4.830 0.809 6.909 81 HA LEU 13 HA LEU 13 2.721 1.659 5.143 82 HB2 LEU 13 1HB LEU 13 5.393 1.448 4.921 83 HB3 LEU 13 2HB LEU 13 4.981 -0.091 4.176 84 HG LEU 13 HG LEU 13 4.116 2.656 3.262 85 HD11 LEU 13 1HD1 LEU 13 6.046 0.640 2.077 86 HD12 LEU 13 2HD1 LEU 13 6.467 2.194 2.842 87 HD13 LEU 13 3HD1 LEU 13 5.565 2.175 1.316 88 HD21 LEU 13 1HD2 LEU 13 3.571 0.038 1.910 89 HD22 LEU 13 2HD2 LEU 13 3.178 1.665 1.309 90 HD23 LEU 13 3HD2 LEU 13 2.368 1.051 2.744 91 H VAL 14 H VAL 14 4.116 -1.491 6.105 92 HA VAL 14 HA VAL 14 2.527 -3.153 4.415 93 HB VAL 14 HB VAL 14 3.807 -3.754 7.125 94 HG11 VAL 14 1HG1 VAL 14 3.705 -6.153 6.333 95 HG12 VAL 14 2HG1 VAL 14 2.129 -5.443 6.725 96 HG13 VAL 14 3HG1 VAL 14 2.625 -5.609 5.027 97 HG21 VAL 14 1HG2 VAL 14 5.602 -4.788 5.745 98 HG22 VAL 14 2HG2 VAL 14 4.774 -4.245 4.269 99 HG23 VAL 14 3HG2 VAL 14 5.442 -3.056 5.411 100 H ASP 15 H ASP 15 1.959 -1.986 7.771 101 HA ASP 15 HA ASP 15 -0.455 -3.457 8.171 102 HB2 ASP 15 1HB ASP 15 0.826 -2.253 9.951 103 HB3 ASP 15 2HB ASP 15 0.293 -0.713 9.259 104 H THR 16 H THR 16 0.181 -0.264 6.684 105 HA THR 16 HA THR 16 -2.595 0.384 6.347 106 HB THR 16 HB THR 16 -0.250 1.339 4.648 107 HG1 THR 16 1HG THR 16 0.199 1.744 6.816 108 HG21 THR 16 1HG2 THR 16 -1.654 3.377 4.440 109 HG22 THR 16 2HG2 THR 16 -2.954 2.562 5.336 110 HG23 THR 16 3HG2 THR 16 -2.451 1.954 3.739 111 H LEU 17 H LEU 17 -0.187 -1.275 4.247 112 HA LEU 17 HA LEU 17 -1.906 -1.547 1.976 113 HB2 LEU 17 1HB LEU 17 0.433 -3.137 3.036 114 HB3 LEU 17 2HB LEU 17 -0.446 -3.672 1.608 115 HG LEU 17 HG LEU 17 0.608 -0.858 1.698 116 HD11 LEU 17 1HD1 LEU 17 2.229 -3.341 1.101 117 HD12 LEU 17 2HD1 LEU 17 2.511 -2.142 2.388 118 HD13 LEU 17 3HD1 LEU 17 2.717 -1.682 0.684 119 HD21 LEU 17 1HD2 LEU 17 0.722 -1.114 -0.699 120 HD22 LEU 17 2HD2 LEU 17 -0.866 -1.711 -0.177 121 HD23 LEU 17 3HD2 LEU 17 0.421 -2.863 -0.586 122 H GLN 18 H GLN 18 -1.485 -3.585 4.895 123 HA GLN 18 HA GLN 18 -3.319 -5.617 3.978 124 HB2 GLN 18 1HB GLN 18 -2.350 -4.830 6.741 125 HB3 GLN 18 2HB GLN 18 -3.386 -6.230 6.425 126 HG2 GLN 18 1HG GLN 18 -1.678 -7.216 4.983 127 HG3 GLN 18 2HG GLN 18 -0.640 -5.807 5.202 128 HE21 GLN 18 1HE2 GLN 18 0.635 -8.363 7.478 129 HE22 GLN 18 2HE2 GLN 18 0.506 -8.100 5.754 130 H PHE 19 H PHE 19 -3.763 -2.579 5.820 131 HA PHE 19 HA PHE 19 -6.514 -3.096 6.485 132 HB2 PHE 19 1HB PHE 19 -5.165 -1.369 7.592 133 HB3 PHE 19 2HB PHE 19 -5.023 -0.479 6.075 134 HD1 PHE 19 1HD PHE 19 -7.458 -1.605 8.666 135 HD2 PHE 19 2HD PHE 19 -6.725 1.009 5.328 136 HE1 PHE 19 1HE PHE 19 -9.569 -0.377 9.168 137 HE2 PHE 19 2HE PHE 19 -8.830 2.243 5.818 138 HZ PHE 19 HZ PHE 19 -10.259 1.552 7.743 139 H VAL 20 H VAL 20 -4.986 -1.346 3.748 140 HA VAL 20 HA VAL 20 -7.507 -0.583 2.563 141 HB VAL 20 HB VAL 20 -4.659 -0.714 1.429 142 HG11 VAL 20 1HG1 VAL 20 -6.209 -0.755 -0.466 143 HG12 VAL 20 2HG1 VAL 20 -7.149 0.587 0.228 144 HG13 VAL 20 3HG1 VAL 20 -5.482 0.858 -0.344 145 HG21 VAL 20 1HG2 VAL 20 -4.864 0.890 3.260 146 HG22 VAL 20 2HG2 VAL 20 -4.778 1.789 1.737 147 HG23 VAL 20 3HG2 VAL 20 -6.340 1.572 2.557 148 H CYS 21 H CYS 21 -5.266 -3.311 2.019 149 HA CYS 21 HA CYS 21 -6.889 -4.166 -0.296 150 HB2 CYS 21 1HB CYS 21 -4.344 -3.997 -0.199 151 HB3 CYS 21 2HB CYS 21 -4.383 -5.425 0.839 152 H GLY 22 H GLY 22 -6.395 -5.121 3.056 153 HA2 GLY 22 1HA GLY 22 -7.494 -6.791 4.237 154 HA3 GLY 22 2HA GLY 22 -8.353 -7.266 2.758 155 H ASP 23 H ASP 23 -7.922 -9.456 3.469 156 HA ASP 23 HA ASP 23 -5.276 -10.506 3.751 157 HB2 ASP 23 1HB ASP 23 -7.410 -12.344 2.832 158 HB3 ASP 23 2HB ASP 23 -6.346 -12.453 4.245 159 H ARG 24 H ARG 24 -6.545 -9.285 0.970 160 HA ARG 24 HA ARG 24 -6.229 -11.430 -0.889 161 HB2 ARG 24 1HB ARG 24 -6.163 -8.437 -1.367 162 HB3 ARG 24 2HB ARG 24 -6.505 -9.678 -2.564 163 HG2 ARG 24 1HG ARG 24 -8.234 -8.918 -0.163 164 HG3 ARG 24 2HG ARG 24 -8.588 -8.613 -1.870 165 HD2 ARG 24 1HD ARG 24 -8.414 -11.325 -0.509 166 HD3 ARG 24 2HD ARG 24 -9.888 -10.515 -1.073 167 HE ARG 24 HE ARG 24 -8.373 -10.575 -3.326 168 HH11 ARG 24 1HH1 ARG 24 -9.180 -13.170 -1.061 169 HH12 ARG 24 2HH1 ARG 24 -9.105 -14.396 -2.299 170 HH21 ARG 24 1HH2 ARG 24 -8.307 -12.175 -4.829 171 HH22 ARG 24 2HH2 ARG 24 -8.613 -13.841 -4.403 172 H GLY 25 H GLY 25 -3.843 -9.418 0.565 173 HA2 GLY 25 1HA GLY 25 -1.518 -9.756 0.311 174 HA3 GLY 25 2HA GLY 25 -1.811 -10.644 -1.195 175 H PHE 26 H PHE 26 0.215 -8.730 -1.116 176 HA PHE 26 HA PHE 26 -0.829 -6.687 -2.970 177 HB2 PHE 26 1HB PHE 26 0.209 -4.865 -1.583 178 HB3 PHE 26 2HB PHE 26 -1.230 -5.587 -0.865 179 HD1 PHE 26 1HD PHE 26 2.501 -5.520 -0.677 180 HD2 PHE 26 2HD PHE 26 -1.171 -6.687 1.242 181 HE1 PHE 26 1HE PHE 26 3.764 -6.060 1.397 182 HE2 PHE 26 2HE PHE 26 0.086 -7.228 3.318 183 HZ PHE 26 HZ PHE 26 2.558 -6.932 3.395 184 H TYR 27 H TYR 27 0.954 -5.284 -3.748 185 HA TYR 27 HA TYR 27 3.436 -6.908 -4.086 186 HB2 TYR 27 1HB TYR 27 2.334 -4.533 -5.640 187 HB3 TYR 27 2HB TYR 27 3.824 -5.412 -6.025 188 HD1 TYR 27 1HD TYR 27 3.696 -7.817 -6.797 189 HD2 TYR 27 2HD TYR 27 0.143 -5.442 -6.239 190 HE1 TYR 27 1HE TYR 27 2.374 -9.467 -8.121 191 HE2 TYR 27 2HE TYR 27 -1.158 -7.090 -7.567 192 HH TYR 27 HH TYR 27 -1.115 -9.052 -8.737 193 H PHE 28 H PHE 28 5.516 -5.700 -4.034 194 HA PHE 28 HA PHE 28 5.421 -3.264 -2.347 195 HB2 PHE 28 1HB PHE 28 5.623 -5.607 -1.090 196 HB3 PHE 28 2HB PHE 28 7.322 -5.442 -1.541 197 HD1 PHE 28 1HD PHE 28 8.768 -3.906 -0.320 198 HD2 PHE 28 2HD PHE 28 4.504 -3.820 0.294 199 HE1 PHE 28 1HE PHE 28 9.084 -2.410 1.643 200 HE2 PHE 28 2HE PHE 28 4.822 -2.316 2.262 201 HZ PHE 28 HZ PHE 28 7.109 -1.608 2.934 202 H SER 29 H SER 29 7.908 -2.756 -1.824 203 HA SER 29 HA SER 29 9.096 -1.842 -4.204 204 HB2 SER 29 1HB SER 29 9.573 -0.872 -2.026 205 HB3 SER 29 2HB SER 29 10.269 -2.402 -1.457 206 HG SER 29 HG SER 29 11.852 -0.892 -2.111 207 H ARG 30 H ARG 30 10.596 -2.592 -5.551 208 HA ARG 30 HA ARG 30 11.805 -5.270 -5.037 209 HB2 ARG 30 1HB ARG 30 11.037 -6.064 -7.269 210 HB3 ARG 30 2HB ARG 30 9.729 -5.775 -6.133 211 HG2 ARG 30 1HG ARG 30 8.846 -4.932 -8.082 212 HG3 ARG 30 2HG ARG 30 9.480 -3.457 -7.339 213 HD2 ARG 30 1HD ARG 30 11.430 -3.514 -8.751 214 HD3 ARG 30 2HD ARG 30 11.008 -5.127 -9.355 215 HE ARG 30 HE ARG 30 8.857 -3.391 -9.937 216 HH11 ARG 30 1HH1 ARG 30 12.229 -3.800 -10.897 217 HH12 ARG 30 2HH1 ARG 30 11.946 -3.132 -12.492 218 HH21 ARG 30 1HH2 ARG 30 8.575 -2.554 -11.978 219 HH22 ARG 30 2HH2 ARG 30 9.920 -2.429 -13.081 220 HA PRO 31 HA PRO 31 15.220 -3.336 -6.899 221 HB2 PRO 31 1HB PRO 31 16.620 -5.277 -8.185 222 HB3 PRO 31 2HB PRO 31 16.407 -5.292 -6.405 223 HG2 PRO 31 1HG PRO 31 14.820 -6.751 -8.507 224 HG3 PRO 31 2HG PRO 31 15.619 -7.408 -7.039 225 HD2 PRO 31 1HD PRO 31 12.990 -6.791 -7.063 226 HD3 PRO 31 2HD PRO 31 14.003 -6.493 -5.608 227 H ALA 32 H ALA 32 16.350 -2.679 -8.894 228 HA ALA 32 HA ALA 32 14.733 -3.101 -11.369 229 HB1 ALA 32 1HB ALA 32 14.359 -0.816 -10.407 230 HB2 ALA 32 2HB ALA 32 16.114 -0.523 -10.500 231 HB3 ALA 32 3HB ALA 32 15.174 -0.782 -11.989 232 H SER 33 H SER 33 15.952 -3.297 -13.270 233 HA SER 33 HA SER 33 18.660 -4.317 -12.815 234 HB2 SER 33 1HB SER 33 18.456 -5.006 -15.199 235 HB3 SER 33 2HB SER 33 17.103 -5.569 -14.198 236 HG SER 33 HG SER 33 16.284 -4.683 -16.077 237 H ARG 34 H ARG 34 20.098 -3.823 -14.966 238 HA ARG 34 HA ARG 34 21.054 -1.147 -14.558 239 HB2 ARG 34 1HB ARG 34 21.749 -3.322 -16.510 240 HB3 ARG 34 2HB ARG 34 22.562 -1.748 -16.477 241 HG2 ARG 34 1HG ARG 34 23.165 -2.103 -14.101 242 HG3 ARG 34 2HG ARG 34 22.432 -3.720 -14.170 243 HD2 ARG 34 1HD ARG 34 23.982 -4.350 -15.940 244 HD3 ARG 34 2HD ARG 34 24.694 -2.726 -15.903 245 HE ARG 34 HE ARG 34 24.952 -3.573 -13.306 246 HH11 ARG 34 1HH1 ARG 34 25.976 -5.023 -16.363 247 HH12 ARG 34 2HH1 ARG 34 27.339 -5.822 -15.627 248 HH21 ARG 34 1HH2 ARG 34 26.721 -4.609 -12.450 249 HH22 ARG 34 2HH2 ARG 34 27.749 -5.587 -13.458 250 H VAL 35 H VAL 35 18.638 -2.309 -16.751 251 HA VAL 35 HA VAL 35 19.164 -0.217 -18.736 252 HB VAL 35 HB VAL 35 17.277 -1.109 -19.978 253 HG11 VAL 35 1HG1 VAL 35 18.002 -3.389 -20.366 254 HG12 VAL 35 2HG1 VAL 35 19.430 -2.394 -20.014 255 HG13 VAL 35 3HG1 VAL 35 18.769 -3.477 -18.765 256 HG21 VAL 35 1HG2 VAL 35 16.583 -2.597 -17.421 257 HG22 VAL 35 2HG2 VAL 35 15.556 -1.500 -18.371 258 HG23 VAL 35 3HG2 VAL 35 15.961 -3.104 -19.006 259 H SER 36 H SER 36 16.779 0.758 -19.445 260 HA SER 36 HA SER 36 16.105 2.731 -17.499 261 HB2 SER 36 1HB SER 36 14.140 2.118 -19.625 262 HB3 SER 36 2HB SER 36 15.023 3.626 -19.284 263 HG SER 36 HG SER 36 15.842 2.859 -21.186 264 H ARG 37 H ARG 37 13.285 2.836 -17.743 265 HA ARG 37 HA ARG 37 11.380 2.275 -16.646 266 HB2 ARG 37 1HB ARG 37 12.321 -0.584 -16.777 267 HB3 ARG 37 2HB ARG 37 10.669 -0.010 -16.658 268 HG2 ARG 37 1HG ARG 37 12.511 0.174 -19.069 269 HG3 ARG 37 2HG ARG 37 11.124 -0.901 -18.878 270 HD2 ARG 37 1HD ARG 37 11.043 2.118 -19.031 271 HD3 ARG 37 2HD ARG 37 10.593 0.983 -20.313 272 HE ARG 37 HE ARG 37 9.049 0.342 -18.033 273 HH11 ARG 37 1HH1 ARG 37 9.279 3.011 -20.342 274 HH12 ARG 37 2HH1 ARG 37 7.614 3.470 -20.110 275 HH21 ARG 37 1HH2 ARG 37 6.933 0.991 -17.802 276 HH22 ARG 37 2HH2 ARG 37 6.318 2.350 -18.699 277 H ARG 38 H ARG 38 13.838 2.808 -15.088 278 HA ARG 38 HA ARG 38 13.734 1.015 -12.798 279 HB2 ARG 38 1HB ARG 38 15.071 3.713 -13.243 280 HB3 ARG 38 2HB ARG 38 15.162 2.801 -11.732 281 HG2 ARG 38 1HG ARG 38 16.065 0.863 -13.153 282 HG3 ARG 38 2HG ARG 38 16.338 2.076 -14.416 283 HD2 ARG 38 1HD ARG 38 17.912 3.239 -13.109 284 HD3 ARG 38 2HD ARG 38 17.292 2.553 -11.593 285 HE ARG 38 HE ARG 38 18.319 0.474 -13.297 286 HH11 ARG 38 1HH1 ARG 38 19.437 3.034 -11.112 287 HH12 ARG 38 2HH1 ARG 38 20.900 2.170 -10.714 288 HH21 ARG 38 1HH2 ARG 38 20.155 -0.548 -12.729 289 HH22 ARG 38 2HH2 ARG 38 21.310 0.174 -11.628 290 H SER 39 H SER 39 12.540 1.139 -11.066 291 HA SER 39 HA SER 39 11.550 3.617 -9.946 292 HB2 SER 39 1HB SER 39 9.707 3.251 -11.567 293 HB3 SER 39 2HB SER 39 9.588 1.553 -11.063 294 HG SER 39 HG SER 39 9.008 3.882 -9.535 295 H ARG 40 H ARG 40 10.919 3.063 -7.727 296 HA ARG 40 HA ARG 40 12.198 0.502 -6.945 297 HB2 ARG 40 1HB ARG 40 12.833 2.724 -5.952 298 HB3 ARG 40 2HB ARG 40 11.231 2.825 -5.234 299 HG2 ARG 40 1HG ARG 40 12.973 2.107 -3.653 300 HG3 ARG 40 2HG ARG 40 11.661 0.928 -3.827 301 HD2 ARG 40 1HD ARG 40 12.961 -0.519 -5.131 302 HD3 ARG 40 2HD ARG 40 14.169 0.734 -5.484 303 HE ARG 40 HE ARG 40 14.565 0.625 -2.908 304 HH11 ARG 40 1HH1 ARG 40 13.852 -2.176 -4.940 305 HH12 ARG 40 2HH1 ARG 40 14.749 -3.264 -3.904 306 HH21 ARG 40 1HH2 ARG 40 15.700 -0.823 -1.653 307 HH22 ARG 40 2HH2 ARG 40 15.764 -2.511 -2.078 308 H GLY 41 H GLY 41 9.083 2.187 -6.601 309 HA2 GLY 41 1HA GLY 41 7.130 0.591 -6.770 310 HA3 GLY 41 2HA GLY 41 7.942 -0.367 -5.523 311 H ILE 42 H ILE 42 5.955 -0.116 -4.273 312 HA ILE 42 HA ILE 42 4.739 2.262 -3.548 313 HB ILE 42 HB ILE 42 3.899 -0.065 -3.117 314 HG12 ILE 42 1HG1 ILE 42 2.973 0.366 -0.779 315 HG13 ILE 42 2HG1 ILE 42 3.913 1.849 -0.766 316 HG21 ILE 42 1HG2 ILE 42 5.713 -0.055 -0.661 317 HG22 ILE 42 2HG2 ILE 42 4.594 -1.337 -1.177 318 HG23 ILE 42 3HG2 ILE 42 6.034 -0.983 -2.149 319 HD11 ILE 42 1HD1 ILE 42 2.646 2.556 -2.849 320 HD12 ILE 42 2HD1 ILE 42 1.610 1.129 -2.587 321 HD13 ILE 42 3HD1 ILE 42 1.682 2.408 -1.365 322 H VAL 43 H VAL 43 7.798 1.094 -2.202 323 HA VAL 43 HA VAL 43 7.749 2.772 0.142 324 HB VAL 43 HB VAL 43 10.035 1.499 -1.424 325 HG11 VAL 43 1HG1 VAL 43 10.933 3.483 -0.253 326 HG12 VAL 43 2HG1 VAL 43 10.144 2.975 1.254 327 HG13 VAL 43 3HG1 VAL 43 11.463 2.002 0.563 328 HG21 VAL 43 1HG2 VAL 43 8.484 -0.023 -0.279 329 HG22 VAL 43 2HG2 VAL 43 10.088 -0.033 0.482 330 HG23 VAL 43 3HG2 VAL 43 8.747 0.851 1.244 331 H GLU 44 H GLU 44 8.671 3.303 -3.242 332 HA GLU 44 HA GLU 44 9.892 5.888 -2.778 333 HB2 GLU 44 1HB GLU 44 9.316 4.191 -5.008 334 HB3 GLU 44 2HB GLU 44 8.649 5.794 -5.335 335 HG2 GLU 44 1HG GLU 44 10.895 6.741 -4.691 336 HG3 GLU 44 2HG GLU 44 11.502 5.075 -4.672 337 H GLU 45 H GLU 45 6.614 4.706 -3.350 338 HA GLU 45 HA GLU 45 5.492 7.309 -3.807 339 HB2 GLU 45 1HB GLU 45 4.070 4.807 -2.838 340 HB3 GLU 45 2HB GLU 45 3.348 6.185 -3.650 341 HG2 GLU 45 1HG GLU 45 5.334 4.245 -4.889 342 HG3 GLU 45 2HG GLU 45 3.586 4.184 -5.089 343 H CYS 46 H CYS 46 5.651 5.170 -0.946 344 HA CYS 46 HA CYS 46 4.129 7.226 0.559 345 HB2 CYS 46 1HB CYS 46 4.744 4.334 1.186 346 HB3 CYS 46 2HB CYS 46 3.756 5.412 2.176 347 H CYS 47 H CYS 47 7.405 6.102 0.407 348 HA CYS 47 HA CYS 47 7.837 7.186 3.169 349 HB2 CYS 47 1HB CYS 47 8.407 4.753 2.663 350 HB3 CYS 47 2HB CYS 47 9.726 5.369 1.665 351 H PHE 48 H PHE 48 9.176 7.119 -0.166 352 HA PHE 48 HA PHE 48 11.005 9.344 0.479 353 HB2 PHE 48 1HB PHE 48 10.330 7.864 -2.081 354 HB3 PHE 48 2HB PHE 48 11.404 9.258 -2.031 355 HD1 PHE 48 1HD PHE 48 13.577 9.169 -0.873 356 HD2 PHE 48 2HD PHE 48 11.088 5.678 -1.248 357 HE1 PHE 48 1HE PHE 48 15.522 7.719 -0.323 358 HE2 PHE 48 2HE PHE 48 13.025 4.230 -0.738 359 HZ PHE 48 HZ PHE 48 15.255 5.242 -0.253 360 H ARG 49 H ARG 49 7.794 8.853 -0.663 361 HA ARG 49 HA ARG 49 7.404 11.802 -0.895 362 HB2 ARG 49 1HB ARG 49 6.256 9.616 -2.697 363 HB3 ARG 49 2HB ARG 49 5.577 11.240 -2.581 364 HG2 ARG 49 1HG ARG 49 7.756 12.161 -3.308 365 HG3 ARG 49 2HG ARG 49 8.329 10.505 -3.588 366 HD2 ARG 49 1HD ARG 49 5.849 11.714 -4.882 367 HD3 ARG 49 2HD ARG 49 7.445 11.708 -5.641 368 HE ARG 49 HE ARG 49 5.594 9.446 -5.360 369 HH11 ARG 49 1HH1 ARG 49 8.943 10.353 -6.065 370 HH12 ARG 49 2HH1 ARG 49 9.251 8.873 -6.939 371 HH21 ARG 49 1HH2 ARG 49 6.045 7.617 -6.506 372 HH22 ARG 49 2HH2 ARG 49 7.645 7.365 -7.177 373 H SER 50 H SER 50 4.729 11.853 -0.797 374 HA SER 50 HA SER 50 3.941 9.955 1.391 375 HB2 SER 50 1HB SER 50 2.865 12.738 0.755 376 HB3 SER 50 2HB SER 50 2.218 11.643 1.998 377 HG SER 50 HG SER 50 4.951 12.321 2.002 378 H CYS 51 H CYS 51 1.784 9.044 1.080 379 HA CYS 51 HA CYS 51 0.890 9.176 -1.763 380 HB2 CYS 51 1HB CYS 51 0.593 6.735 -1.694 381 HB3 CYS 51 2HB CYS 51 2.277 7.192 -1.419 382 H ASP 52 H ASP 52 -1.287 8.272 -2.080 383 HA ASP 52 HA ASP 52 -3.060 8.938 0.235 384 HB2 ASP 52 1HB ASP 52 -2.980 10.258 -2.116 385 HB3 ASP 52 2HB ASP 52 -4.062 8.944 -2.586 386 H LEU 53 H LEU 53 -5.235 7.841 -0.002 387 HA LEU 53 HA LEU 53 -4.986 5.026 0.167 388 HB2 LEU 53 1HB LEU 53 -6.818 6.347 1.137 389 HB3 LEU 53 2HB LEU 53 -7.356 6.818 -0.467 390 HG LEU 53 HG LEU 53 -7.988 4.462 -0.943 391 HD11 LEU 53 1HD1 LEU 53 -7.297 4.051 1.985 392 HD12 LEU 53 2HD1 LEU 53 -6.509 3.286 0.582 393 HD13 LEU 53 3HD1 LEU 53 -8.196 2.902 0.965 394 HD21 LEU 53 1HD2 LEU 53 -9.621 6.114 -0.128 395 HD22 LEU 53 2HD2 LEU 53 -9.223 5.688 1.555 396 HD23 LEU 53 3HD2 LEU 53 -9.990 4.488 0.485 397 H ALA 54 H ALA 54 -6.105 7.048 -2.574 398 HA ALA 54 HA ALA 54 -6.896 4.851 -4.213 399 HB1 ALA 54 1HB ALA 54 -7.619 7.176 -4.625 400 HB2 ALA 54 2HB ALA 54 -5.946 7.641 -5.019 401 HB3 ALA 54 3HB ALA 54 -6.822 6.498 -6.065 402 H LEU 55 H LEU 55 -3.791 6.589 -3.958 403 HA LEU 55 HA LEU 55 -2.515 5.168 -6.113 404 HB2 LEU 55 1HB LEU 55 -1.633 7.258 -5.501 405 HB3 LEU 55 2HB LEU 55 -1.671 6.883 -3.790 406 HG LEU 55 HG LEU 55 0.282 5.564 -3.901 407 HD11 LEU 55 1HD1 LEU 55 0.073 5.809 -6.911 408 HD12 LEU 55 2HD1 LEU 55 0.213 4.338 -5.911 409 HD13 LEU 55 3HD1 LEU 55 1.600 5.421 -6.088 410 HD21 LEU 55 1HD2 LEU 55 0.520 7.993 -3.785 411 HD22 LEU 55 2HD2 LEU 55 0.564 8.097 -5.559 412 HD23 LEU 55 3HD2 LEU 55 1.875 7.291 -4.682 413 H LEU 56 H LEU 56 -2.566 4.797 -2.543 414 HA LEU 56 HA LEU 56 -0.733 2.641 -2.494 415 HB2 LEU 56 1HB LEU 56 -1.697 4.123 -0.620 416 HB3 LEU 56 2HB LEU 56 -3.026 2.965 -0.546 417 HG LEU 56 HG LEU 56 -0.237 1.885 -0.467 418 HD11 LEU 56 1HD1 LEU 56 -0.049 2.366 1.954 419 HD12 LEU 56 2HD1 LEU 56 -1.512 3.378 1.851 420 HD13 LEU 56 3HD1 LEU 56 -0.043 3.838 0.970 421 HD21 LEU 56 1HD2 LEU 56 -2.134 0.367 -0.295 422 HD22 LEU 56 2HD2 LEU 56 -2.767 1.281 1.088 423 HD23 LEU 56 3HD2 LEU 56 -1.236 0.404 1.231 424 H GLU 57 H GLU 57 -4.218 2.726 -3.089 425 HA GLU 57 HA GLU 57 -4.722 -0.062 -2.892 426 HB2 GLU 57 1HB GLU 57 -6.369 1.861 -3.039 427 HB3 GLU 57 2HB GLU 57 -6.087 1.880 -4.776 428 HG2 GLU 57 1HG GLU 57 -6.957 -0.359 -5.005 429 HG3 GLU 57 2HG GLU 57 -7.026 -0.558 -3.253 430 HE2 GLU 57 HE2 GLU 57 -8.908 -0.726 -2.871 431 H THR 58 H THR 58 -3.109 1.752 -5.488 432 HA THR 58 HA THR 58 -3.733 -0.208 -7.514 433 HB THR 58 HB THR 58 -2.166 0.914 -8.930 434 HG1 THR 58 1HG THR 58 -0.421 1.095 -7.493 435 HG21 THR 58 1HG2 THR 58 -2.984 3.170 -8.833 436 HG22 THR 58 2HG2 THR 58 -3.266 3.068 -7.084 437 HG23 THR 58 3HG2 THR 58 -4.297 2.149 -8.198 438 H TYR 59 H TYR 59 -1.624 -0.284 -4.845 439 HA TYR 59 HA TYR 59 0.100 -2.366 -6.106 440 HB2 TYR 59 1HB TYR 59 0.273 -0.835 -3.494 441 HB3 TYR 59 2HB TYR 59 1.328 -2.197 -3.897 442 HD1 TYR 59 1HD TYR 59 3.151 -1.978 -5.458 443 HD2 TYR 59 2HD TYR 59 0.429 1.311 -4.870 444 HE1 TYR 59 1HE TYR 59 4.714 -0.453 -6.675 445 HE2 TYR 59 2HE TYR 59 2.003 2.820 -6.090 446 HH TYR 59 HH TYR 59 4.068 3.011 -7.173 447 H CYS 60 H CYS 60 -2.862 -2.236 -4.665 448 HA CYS 60 HA CYS 60 -2.681 -4.598 -2.916 449 HB2 CYS 60 1HB CYS 60 -4.423 -2.891 -2.584 450 HB3 CYS 60 2HB CYS 60 -4.961 -3.110 -4.245 451 H ALA 61 H ALA 61 -3.401 -6.702 -3.501 452 HA ALA 61 HA ALA 61 -3.449 -7.173 -6.439 453 HB1 ALA 61 1HB ALA 61 -1.952 -8.524 -5.044 454 HB2 ALA 61 2HB ALA 61 -3.365 -9.084 -4.111 455 HB3 ALA 61 3HB ALA 61 -3.227 -9.503 -5.834 456 H THR 62 H THR 62 -5.217 -7.858 -7.443 457 HA THR 62 HA THR 62 -7.326 -8.461 -7.933 458 HB THR 62 HB THR 62 -8.495 -10.092 -6.651 459 HG1 THR 62 1HG THR 62 -7.225 -8.845 -4.462 460 HG21 THR 62 1HG2 THR 62 -6.867 -11.728 -6.120 461 HG22 THR 62 2HG2 THR 62 -5.661 -10.512 -5.662 462 HG23 THR 62 3HG2 THR 62 -6.111 -10.729 -7.373 463 HA PRO 63 HA PRO 63 -9.865 -5.150 -6.815 464 HB2 PRO 63 1HB PRO 63 -12.437 -5.968 -7.213 465 HB3 PRO 63 2HB PRO 63 -11.273 -5.783 -8.566 466 HG2 PRO 63 1HG PRO 63 -12.021 -8.272 -7.048 467 HG3 PRO 63 2HG PRO 63 -12.002 -7.996 -8.820 468 HD2 PRO 63 1HD PRO 63 -9.930 -9.182 -7.564 469 HD3 PRO 63 2HD PRO 63 -9.644 -8.035 -8.912 470 H ALA 64 H ALA 64 -11.464 -4.240 -5.311 471 HA ALA 64 HA ALA 64 -11.067 -5.158 -2.673 472 HB1 ALA 64 1HB ALA 64 -13.263 -3.316 -3.744 473 HB2 ALA 64 2HB ALA 64 -12.747 -3.448 -2.045 474 HB3 ALA 64 3HB ALA 64 -11.624 -2.806 -3.265 475 H LYS 65 H LYS 65 -11.910 -6.744 -1.565 476 HA LYS 65 HA LYS 65 -13.900 -8.485 -2.647 477 HB2 LYS 65 1HB LYS 65 -13.672 -9.706 -0.529 478 HB3 LYS 65 2HB LYS 65 -12.094 -9.245 -1.181 479 HG2 LYS 65 1HG LYS 65 -12.078 -7.279 0.404 480 HG3 LYS 65 2HG LYS 65 -13.553 -7.917 1.143 481 HD2 LYS 65 1HD LYS 65 -11.001 -9.559 0.942 482 HD3 LYS 65 2HD LYS 65 -11.311 -8.443 2.282 483 HE2 LYS 65 1HE LYS 65 -13.485 -9.659 2.707 484 HE3 LYS 65 2HE LYS 65 -12.968 -10.874 1.520 485 HZ1 LYS 65 1HZ LYS 65 -12.384 -11.560 3.757 486 HZ2 LYS 65 2HZ LYS 65 -11.533 -10.175 4.027 487 HZ3 LYS 65 3HZ LYS 65 -10.987 -11.259 2.928 488 H SER 66 H SER 66 -14.295 -5.625 -0.743 489 HA SER 66 HA SER 66 -17.188 -6.058 -0.635 490 HB2 SER 66 1HB SER 66 -16.455 -7.297 1.368 491 HB3 SER 66 2HB SER 66 -15.563 -5.873 1.937 492 HG SER 66 HG SER 66 -17.443 -4.821 2.295 493 H GLU 67 H GLU 67 -17.258 -4.171 -1.864 494 HA GLU 67 HA GLU 67 -17.461 -1.958 -2.300 495 HB2 GLU 67 1HB GLU 67 -18.958 -2.094 -0.289 496 HB3 GLU 67 2HB GLU 67 -17.619 -1.553 0.724 497 HG2 GLU 67 1HG GLU 67 -17.464 0.569 -0.618 498 HG3 GLU 67 2HG GLU 67 -18.799 0.022 -1.630
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