NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
588663 | 2mg4 | 19585 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 H1 MET 1 -8.781 -15.067 6.530 2 H2 MET 1 H2 MET 1 -8.396 -16.331 5.509 3 H3 MET 1 H3 MET 1 -9.952 -15.729 5.542 4 HA MET 1 HA MET 1 -8.806 -14.975 3.588 5 HB2 MET 1 HB3 MET 1 -9.368 -12.914 5.767 6 HB3 MET 1 HB2 MET 1 -9.094 -12.493 4.061 7 HG2 MET 1 HG3 MET 1 -11.029 -13.834 3.376 8 HG3 MET 1 HG2 MET 1 -11.270 -14.379 5.053 9 HE1 MET 1 HE1 MET 1 -11.259 -11.635 2.511 10 HE2 MET 1 HE2 MET 1 -11.552 -10.140 3.430 11 HE3 MET 1 HE3 MET 1 -10.049 -11.058 3.682 12 H GLU 2 H GLU 2 -6.614 -15.124 3.002 13 HA GLU 2 HA GLU 2 -4.891 -13.347 4.559 14 HB2 GLU 2 HB3 GLU 2 -3.101 -15.019 4.473 15 HB3 GLU 2 HB2 GLU 2 -4.526 -15.667 5.311 16 HG2 GLU 2 HG3 GLU 2 -5.210 -16.791 3.165 17 HG3 GLU 2 HG2 GLU 2 -3.667 -16.256 2.448 18 H LYS 3 H LYS 3 -5.318 -15.231 1.504 19 HA LYS 3 HA LYS 3 -3.797 -13.063 0.270 20 HB2 LYS 3 HB3 LYS 3 -3.357 -14.655 -1.573 21 HB3 LYS 3 HB2 LYS 3 -2.779 -15.312 -0.023 22 HG2 LYS 3 HG3 LYS 3 -4.932 -16.581 0.193 23 HG3 LYS 3 HG2 LYS 3 -5.396 -16.012 -1.429 24 HD2 LYS 3 HD3 LYS 3 -2.874 -17.603 -0.768 25 HD3 LYS 3 HD2 LYS 3 -4.352 -18.281 -1.491 26 HE2 LYS 3 HE3 LYS 3 -4.112 -16.736 -3.420 27 HE3 LYS 3 HE2 LYS 3 -2.623 -16.077 -2.702 28 HZ1 LYS 3 HZ1 LYS 3 -1.672 -18.257 -2.801 29 HZ2 LYS 3 HZ2 LYS 3 -3.071 -18.884 -3.460 30 HZ3 LYS 3 HZ3 LYS 3 -2.167 -17.776 -4.320 31 H ARG 4 H ARG 4 -4.707 -12.654 -2.087 32 HA ARG 4 HA ARG 4 -7.561 -12.408 -1.738 33 HB2 ARG 4 HB3 ARG 4 -6.655 -10.453 -2.578 34 HB3 ARG 4 HB2 ARG 4 -5.419 -11.297 -3.530 35 HG2 ARG 4 HG3 ARG 4 -8.284 -11.723 -4.315 36 HG3 ARG 4 HG2 ARG 4 -7.533 -10.149 -4.692 37 HD2 ARG 4 HD3 ARG 4 -6.300 -12.854 -5.404 38 HD3 ARG 4 HD2 ARG 4 -7.177 -11.793 -6.533 39 HE ARG 4 HE ARG 4 -5.452 -10.090 -5.864 40 HH11 ARG 4 HH11 ARG 4 -4.954 -13.533 -5.931 41 HH12 ARG 4 HH12 ARG 4 -3.306 -13.443 -6.249 42 HH21 ARG 4 HH21 ARG 4 -3.167 -9.966 -6.252 43 HH22 ARG 4 HH22 ARG 4 -2.270 -11.377 -6.428 44 HA PRO 5 HA PRO 5 -7.691 -16.200 -4.006 45 HB2 PRO 5 HB3 PRO 5 -10.299 -16.841 -3.568 46 HB3 PRO 5 HB2 PRO 5 -9.067 -16.912 -2.269 47 HG2 PRO 5 HG3 PRO 5 -11.061 -14.695 -2.830 48 HG3 PRO 5 HG2 PRO 5 -10.650 -15.453 -1.263 49 HD2 PRO 5 HD3 PRO 5 -9.540 -13.077 -2.171 50 HD3 PRO 5 HD2 PRO 5 -8.681 -14.211 -1.082 51 H ARG 6 H ARG 6 -10.433 -13.898 -4.466 52 HA ARG 6 HA ARG 6 -10.164 -14.646 -7.278 53 HB2 ARG 6 HB3 ARG 6 -12.686 -14.415 -7.417 54 HB3 ARG 6 HB2 ARG 6 -12.097 -15.860 -6.569 55 HG2 ARG 6 HG3 ARG 6 -12.435 -13.574 -4.757 56 HG3 ARG 6 HG2 ARG 6 -13.950 -14.027 -5.579 57 HD2 ARG 6 HD3 ARG 6 -13.677 -16.363 -4.891 58 HD3 ARG 6 HD2 ARG 6 -12.121 -15.985 -4.125 59 HE ARG 6 HE ARG 6 -13.995 -14.298 -3.023 60 HH11 ARG 6 HH11 ARG 6 -13.351 -17.707 -3.324 61 HH12 ARG 6 HH12 ARG 6 -14.037 -18.122 -1.847 62 HH21 ARG 6 HH21 ARG 6 -14.946 -14.872 -0.994 63 HH22 ARG 6 HH22 ARG 6 -14.965 -16.476 -0.495 64 H THR 7 H THR 7 -8.871 -12.522 -6.808 65 HA THR 7 HA THR 7 -8.661 -10.303 -7.024 66 HB THR 7 HB THR 7 -9.870 -9.433 -8.967 67 HG1 THR 7 HG1 THR 7 -11.874 -10.419 -8.362 68 HG21 THR 7 HG21 THR 7 -9.209 -12.392 -9.337 69 HG22 THR 7 HG22 THR 7 -9.159 -11.122 -10.582 70 HG23 THR 7 HG23 THR 7 -7.993 -11.101 -9.237 71 H GLU 8 H GLU 8 -9.916 -10.545 -4.641 72 HA GLU 8 HA GLU 8 -12.032 -8.531 -4.919 73 HB2 GLU 8 HB3 GLU 8 -13.104 -9.571 -2.968 74 HB3 GLU 8 HB2 GLU 8 -12.931 -10.764 -4.277 75 HG2 GLU 8 HG3 GLU 8 -10.942 -11.708 -3.206 76 HG3 GLU 8 HG2 GLU 8 -10.970 -10.436 -1.960 77 H PHE 9 H PHE 9 -8.935 -8.667 -4.102 78 HA PHE 9 HA PHE 9 -7.601 -7.782 -2.639 79 HB2 PHE 9 HB3 PHE 9 -7.993 -5.553 -1.844 80 HB3 PHE 9 HB2 PHE 9 -8.444 -5.732 -3.544 81 HD1 PHE 9 HD2 PHE 9 -9.901 -5.636 -0.169 82 HD2 PHE 9 HD1 PHE 9 -10.504 -5.099 -4.255 83 HE1 PHE 9 HE2 PHE 9 -12.062 -4.669 0.281 84 HE2 PHE 9 HE1 PHE 9 -12.672 -4.137 -3.812 85 HZ PHE 9 HZ PHE 9 -13.446 -3.913 -1.541 86 H SER 10 H SER 10 -7.441 -9.424 -1.151 87 HA SER 10 HA SER 10 -9.346 -9.553 0.986 88 HB2 SER 10 HB3 SER 10 -8.151 -11.554 0.025 89 HB3 SER 10 HB2 SER 10 -6.624 -10.888 0.652 90 HG SER 10 HG SER 10 -8.949 -11.644 2.065 91 H GLU 11 H GLU 11 -7.893 -9.862 3.257 92 HA GLU 11 HA GLU 11 -7.427 -7.296 4.086 93 HB2 GLU 11 HB3 GLU 11 -6.333 -9.955 5.091 94 HB3 GLU 11 HB2 GLU 11 -6.178 -8.417 5.970 95 HG2 GLU 11 HG3 GLU 11 -8.643 -8.173 5.987 96 HG3 GLU 11 HG2 GLU 11 -8.803 -9.734 5.143 97 H GLU 12 H GLU 12 -5.043 -9.647 2.776 98 HA GLU 12 HA GLU 12 -2.807 -8.185 3.517 99 HB2 GLU 12 HB3 GLU 12 -2.817 -10.537 2.617 100 HB3 GLU 12 HB2 GLU 12 -3.236 -9.872 1.017 101 HG2 GLU 12 HG3 GLU 12 -0.889 -10.024 0.895 102 HG3 GLU 12 HG2 GLU 12 -1.140 -8.336 1.399 103 H GLN 13 H GLN 13 -5.152 -7.696 0.945 104 HA GLN 13 HA GLN 13 -3.352 -5.964 -0.517 105 HB2 GLN 13 HB3 GLN 13 -6.288 -6.649 -0.960 106 HB3 GLN 13 HB2 GLN 13 -5.170 -5.931 -2.137 107 HG2 GLN 13 HG3 GLN 13 -5.033 -8.745 -0.968 108 HG3 GLN 13 HG2 GLN 13 -5.506 -8.302 -2.618 109 HE21 GLN 13 HE21 GLN 13 -3.071 -9.733 -1.076 110 HE22 GLN 13 HE22 GLN 13 -1.800 -9.231 -2.051 111 H LYS 14 H LYS 14 -6.363 -5.860 1.432 112 HA LYS 14 HA LYS 14 -7.224 -3.327 0.914 113 HB2 LYS 14 HB3 LYS 14 -7.104 -4.917 3.518 114 HB3 LYS 14 HB2 LYS 14 -8.024 -3.410 3.323 115 HG2 LYS 14 HG3 LYS 14 -9.384 -4.429 1.553 116 HG3 LYS 14 HG2 LYS 14 -8.445 -5.934 1.670 117 HD2 LYS 14 HD3 LYS 14 -9.135 -6.131 4.072 118 HD3 LYS 14 HD2 LYS 14 -10.150 -4.684 3.871 119 HE2 LYS 14 HE3 LYS 14 -11.450 -5.837 2.107 120 HE3 LYS 14 HE2 LYS 14 -10.418 -7.276 2.282 121 HZ1 LYS 14 HZ1 LYS 14 -12.438 -7.480 3.530 122 HZ2 LYS 14 HZ2 LYS 14 -11.122 -7.435 4.555 123 HZ3 LYS 14 HZ3 LYS 14 -12.094 -6.090 4.388 124 H LYS 15 H LYS 15 -4.600 -4.394 3.086 125 HA LYS 15 HA LYS 15 -4.133 -2.046 4.464 126 HB2 LYS 15 HB3 LYS 15 -2.349 -4.185 3.211 127 HB3 LYS 15 HB2 LYS 15 -1.726 -2.958 4.329 128 HG2 LYS 15 HG3 LYS 15 -2.722 -3.942 6.174 129 HG3 LYS 15 HG2 LYS 15 -4.073 -4.627 5.218 130 HD2 LYS 15 HD3 LYS 15 -2.205 -6.303 5.949 131 HD3 LYS 15 HD2 LYS 15 -2.699 -6.287 4.239 132 HE2 LYS 15 HE3 LYS 15 -0.814 -4.477 3.965 133 HE3 LYS 15 HE2 LYS 15 -0.178 -5.182 5.472 134 HZ1 LYS 15 HZ1 LYS 15 -0.306 -7.340 4.380 135 HZ2 LYS 15 HZ2 LYS 15 -0.836 -6.605 2.978 136 HZ3 LYS 15 HZ3 LYS 15 0.705 -6.294 3.558 137 H ALA 16 H ALA 16 -2.724 -3.212 1.359 138 HA ALA 16 HA ALA 16 -0.998 -1.120 0.970 139 HB1 ALA 16 HB1 ALA 16 -2.560 -2.734 -1.094 140 HB2 ALA 16 HB2 ALA 16 -1.061 -1.827 -1.393 141 HB3 ALA 16 HB3 ALA 16 -1.044 -3.250 -0.322 142 H LEU 17 H LEU 17 -4.432 -1.421 -0.161 143 HA LEU 17 HA LEU 17 -4.221 0.983 -1.607 144 HB2 LEU 17 HB3 LEU 17 -6.512 -0.668 -0.491 145 HB3 LEU 17 HB2 LEU 17 -6.801 0.899 -1.282 146 HG LEU 17 HG LEU 17 -5.669 0.144 -3.315 147 HD11 LEU 17 HD11 LEU 17 -4.025 -1.339 -2.188 148 HD12 LEU 17 HD12 LEU 17 -5.334 -2.484 -1.802 149 HD13 LEU 17 HD13 LEU 17 -4.876 -2.188 -3.494 150 HD21 LEU 17 HD21 LEU 17 -7.721 -1.863 -2.271 151 HD22 LEU 17 HD22 LEU 17 -8.082 -0.334 -3.106 152 HD23 LEU 17 HD23 LEU 17 -7.270 -1.654 -3.979 153 H ASP 18 H ASP 18 -4.783 0.323 1.854 154 HA ASP 18 HA ASP 18 -5.906 2.888 2.261 155 HB2 ASP 18 HB3 ASP 18 -6.189 0.944 3.835 156 HB3 ASP 18 HB2 ASP 18 -4.473 1.109 4.275 157 H LEU 19 H LEU 19 -2.642 1.792 1.679 158 HA LEU 19 HA LEU 19 -1.493 3.936 3.191 159 HB2 LEU 19 HB3 LEU 19 -0.512 1.871 1.209 160 HB3 LEU 19 HB2 LEU 19 0.474 3.311 1.519 161 HG LEU 19 HG LEU 19 0.475 2.818 3.939 162 HD11 LEU 19 HD11 LEU 19 -1.762 1.666 3.945 163 HD12 LEU 19 HD12 LEU 19 -0.988 0.275 3.143 164 HD13 LEU 19 HD13 LEU 19 -0.500 0.739 4.786 165 HD21 LEU 19 HD21 LEU 19 2.251 1.850 2.488 166 HD22 LEU 19 HD22 LEU 19 1.870 0.771 3.850 167 HD23 LEU 19 HD23 LEU 19 1.240 0.410 2.227 168 H ALA 20 H ALA 20 -2.920 3.534 -0.013 169 HA ALA 20 HA ALA 20 -1.460 5.822 -0.992 170 HB1 ALA 20 HB1 ALA 20 -3.033 5.491 -2.951 171 HB2 ALA 20 HB2 ALA 20 -2.031 4.070 -2.587 172 HB3 ALA 20 HB3 ALA 20 -3.738 4.108 -2.089 173 H PHE 21 H PHE 21 -4.928 5.013 -0.660 174 HA PHE 21 HA PHE 21 -6.709 6.327 -0.485 175 HB2 PHE 21 HB3 PHE 21 -5.630 6.390 1.820 176 HB3 PHE 21 HB2 PHE 21 -4.977 7.986 1.373 177 HD1 PHE 21 HD1 PHE 21 -8.175 6.158 1.024 178 HD2 PHE 21 HD2 PHE 21 -6.296 9.738 2.047 179 HE1 PHE 21 HE1 PHE 21 -10.316 7.141 1.525 180 HE2 PHE 21 HE2 PHE 21 -8.433 10.722 2.556 181 HZ PHE 21 HZ PHE 21 -10.442 9.424 2.295 182 H TYR 22 H TYR 22 -5.154 7.042 -2.782 183 HA TYR 22 HA TYR 22 -5.271 8.623 -4.342 184 HB2 TYR 22 HB3 TYR 22 -7.513 9.162 -3.424 185 HB3 TYR 22 HB2 TYR 22 -6.752 10.286 -2.273 186 HD1 TYR 22 HD2 TYR 22 -6.915 9.597 -5.890 187 HD2 TYR 22 HD1 TYR 22 -6.363 12.428 -2.877 188 HE1 TYR 22 HE2 TYR 22 -6.879 11.348 -7.544 189 HE2 TYR 22 HE1 TYR 22 -6.322 14.181 -4.531 190 HH TYR 22 HH TYR 22 -6.680 13.658 -8.043 191 H PHE 23 H PHE 23 -3.343 9.015 -1.567 192 HA PHE 23 HA PHE 23 -2.819 11.765 -2.038 193 HB2 PHE 23 HB3 PHE 23 -1.427 9.647 -0.373 194 HB3 PHE 23 HB2 PHE 23 -0.838 11.319 -0.521 195 HD1 PHE 23 HD1 PHE 23 -2.820 13.074 -0.308 196 HD2 PHE 23 HD2 PHE 23 -2.747 9.295 1.462 197 HE1 PHE 23 HE1 PHE 23 -4.354 13.840 1.386 198 HE2 PHE 23 HE2 PHE 23 -4.264 10.067 3.168 199 HZ PHE 23 HZ PHE 23 -5.072 12.336 3.128 200 H ASP 24 H ASP 24 -1.309 8.783 -3.369 201 HA ASP 24 HA ASP 24 0.739 10.638 -4.336 202 HB2 ASP 24 HB3 ASP 24 1.645 8.674 -3.163 203 HB3 ASP 24 HB2 ASP 24 0.707 7.586 -4.211 204 H ARG 25 H ARG 25 -1.658 10.963 -5.524 205 HA ARG 25 HA ARG 25 -2.694 11.020 -7.499 206 HB2 ARG 25 HB3 ARG 25 -0.133 9.781 -8.607 207 HB3 ARG 25 HB2 ARG 25 -1.421 10.591 -9.520 208 HG2 ARG 25 HG3 ARG 25 0.549 11.829 -7.568 209 HG3 ARG 25 HG2 ARG 25 0.294 12.215 -9.283 210 HD2 ARG 25 HD3 ARG 25 -0.807 13.977 -8.173 211 HD3 ARG 25 HD2 ARG 25 -2.142 12.847 -8.516 212 HE ARG 25 HE ARG 25 -0.920 12.272 -6.041 213 HH11 ARG 25 HH11 ARG 25 -3.015 14.535 -7.660 214 HH12 ARG 25 HH12 ARG 25 -3.816 15.019 -6.264 215 HH21 ARG 25 HH21 ARG 25 -2.005 12.944 -4.129 216 HH22 ARG 25 HH22 ARG 25 -3.238 14.084 -4.211 217 H ARG 26 H ARG 26 -2.867 8.643 -5.706 218 HA ARG 26 HA ARG 26 -2.921 6.485 -7.633 219 HB2 ARG 26 HB3 ARG 26 -3.596 6.574 -4.660 220 HB3 ARG 26 HB2 ARG 26 -3.434 5.101 -5.647 221 HG2 ARG 26 HG3 ARG 26 -1.230 7.167 -5.251 222 HG3 ARG 26 HG2 ARG 26 -1.361 5.674 -4.305 223 HD2 ARG 26 HD3 ARG 26 -1.070 4.305 -6.307 224 HD3 ARG 26 HD2 ARG 26 -1.127 5.762 -7.331 225 HE ARG 26 HE ARG 26 0.902 6.460 -6.035 226 HH11 ARG 26 HH11 ARG 26 0.028 3.131 -6.602 227 HH12 ARG 26 HH12 ARG 26 1.605 2.558 -6.516 228 HH21 ARG 26 HH21 ARG 26 3.019 5.686 -5.903 229 HH22 ARG 26 HH22 ARG 26 3.370 4.050 -6.092 230 H LEU 27 H LEU 27 -5.087 5.069 -7.263 231 HA LEU 27 HA LEU 27 -7.307 4.966 -7.604 232 HB2 LEU 27 HB3 LEU 27 -7.188 5.823 -5.286 233 HB3 LEU 27 HB2 LEU 27 -7.215 7.489 -5.884 234 HG LEU 27 HG LEU 27 -9.413 6.523 -5.032 235 HD11 LEU 27 HD11 LEU 27 -9.376 7.557 -7.891 236 HD12 LEU 27 HD12 LEU 27 -10.731 7.652 -6.744 237 HD13 LEU 27 HD13 LEU 27 -9.237 8.566 -6.432 238 HD21 LEU 27 HD21 LEU 27 -9.230 4.308 -6.066 239 HD22 LEU 27 HD22 LEU 27 -10.685 5.145 -6.659 240 HD23 LEU 27 HD23 LEU 27 -9.235 5.043 -7.687 241 H THR 28 H THR 28 -5.613 6.584 -9.597 242 HA THR 28 HA THR 28 -7.917 8.153 -10.508 243 HB THR 28 HB THR 28 -6.321 9.543 -11.772 244 HG1 THR 28 HG1 THR 28 -4.408 7.874 -10.532 245 HG21 THR 28 HG21 THR 28 -5.364 9.200 -8.907 246 HG22 THR 28 HG22 THR 28 -5.153 10.640 -9.925 247 HG23 THR 28 HG23 THR 28 -6.783 10.154 -9.400 248 HA PRO 29 HA PRO 29 -8.220 5.547 -13.919 249 HB2 PRO 29 HB3 PRO 29 -7.358 7.751 -15.795 250 HB3 PRO 29 HB2 PRO 29 -8.754 6.635 -15.944 251 HG2 PRO 29 HG3 PRO 29 -9.137 9.160 -15.056 252 HG3 PRO 29 HG2 PRO 29 -9.964 7.796 -14.237 253 HD2 PRO 29 HD3 PRO 29 -7.475 9.284 -13.373 254 HD3 PRO 29 HD2 PRO 29 -8.849 8.701 -12.374 255 H GLU 30 H GLU 30 -5.102 7.101 -13.568 256 HA GLU 30 HA GLU 30 -4.165 5.001 -15.379 257 HB2 GLU 30 HB3 GLU 30 -2.833 7.587 -14.469 258 HB3 GLU 30 HB2 GLU 30 -2.058 6.342 -15.478 259 HG2 GLU 30 HG3 GLU 30 -3.850 6.616 -17.178 260 HG3 GLU 30 HG2 GLU 30 -4.591 7.890 -16.179 261 H TRP 31 H TRP 31 -4.503 5.737 -12.061 262 HA TRP 31 HA TRP 31 -2.212 3.998 -11.611 263 HB2 TRP 31 HB3 TRP 31 -3.328 6.250 -9.982 264 HB3 TRP 31 HB2 TRP 31 -2.633 4.842 -9.141 265 HD1 TRP 31 HD1 TRP 31 -0.075 4.521 -9.205 266 HE1 TRP 31 HE1 TRP 31 1.867 5.805 -10.121 267 HE3 TRP 31 HE3 TRP 31 -2.633 7.765 -11.978 268 HZ2 TRP 31 HZ2 TRP 31 2.225 7.950 -11.804 269 HZ3 TRP 31 HZ3 TRP 31 -1.420 9.452 -13.228 270 HH2 TRP 31 HH2 TRP 31 0.979 9.544 -13.139 271 H ARG 32 H ARG 32 -5.570 3.932 -11.815 272 HA ARG 32 HA ARG 32 -5.954 2.063 -9.673 273 HB2 ARG 32 HB3 ARG 32 -7.522 2.783 -12.191 274 HB3 ARG 32 HB2 ARG 32 -8.088 1.612 -10.975 275 HG2 ARG 32 HG3 ARG 32 -8.227 3.301 -9.274 276 HG3 ARG 32 HG2 ARG 32 -7.330 4.467 -10.264 277 HD2 ARG 32 HD3 ARG 32 -9.203 4.307 -11.978 278 HD3 ARG 32 HD2 ARG 32 -10.132 3.381 -10.778 279 HE ARG 32 HE ARG 32 -9.257 5.728 -9.576 280 HH11 ARG 32 HH11 ARG 32 -11.314 4.643 -12.173 281 HH12 ARG 32 HH12 ARG 32 -12.330 5.980 -12.116 282 HH21 ARG 32 HH21 ARG 32 -10.652 7.537 -9.490 283 HH22 ARG 32 HH22 ARG 32 -11.958 7.656 -10.543 284 H ARG 33 H ARG 33 -5.522 2.000 -13.235 285 HA ARG 33 HA ARG 33 -5.420 -0.809 -13.353 286 HB2 ARG 33 HB3 ARG 33 -4.614 -0.401 -15.642 287 HB3 ARG 33 HB2 ARG 33 -5.968 0.695 -15.272 288 HG2 ARG 33 HG3 ARG 33 -4.309 2.484 -14.688 289 HG3 ARG 33 HG2 ARG 33 -2.996 1.379 -15.159 290 HD2 ARG 33 HD3 ARG 33 -3.490 2.850 -17.040 291 HD3 ARG 33 HD2 ARG 33 -4.024 1.200 -17.440 292 HE ARG 33 HE ARG 33 -6.051 2.827 -16.248 293 HH11 ARG 33 HH11 ARG 33 -4.368 1.917 -19.158 294 HH12 ARG 33 HH12 ARG 33 -5.618 2.346 -20.196 295 HH21 ARG 33 HH21 ARG 33 -7.774 3.414 -17.685 296 HH22 ARG 33 HH22 ARG 33 -7.591 3.211 -19.343 297 H TYR 34 H TYR 34 -3.081 1.662 -12.495 298 HA TYR 34 HA TYR 34 -0.748 0.204 -13.088 299 HB2 TYR 34 HB3 TYR 34 -0.701 2.617 -12.525 300 HB3 TYR 34 HB2 TYR 34 -1.398 2.253 -10.929 301 HD1 TYR 34 HD2 TYR 34 1.509 1.293 -13.012 302 HD2 TYR 34 HD1 TYR 34 -0.025 1.934 -9.184 303 HE1 TYR 34 HE2 TYR 34 3.700 0.931 -12.071 304 HE2 TYR 34 HE1 TYR 34 2.161 1.557 -8.244 305 HH TYR 34 HH TYR 34 4.449 1.068 -8.581 306 H LEU 35 H LEU 35 -2.763 0.562 -10.132 307 HA LEU 35 HA LEU 35 -1.204 -1.181 -8.595 308 HB2 LEU 35 HB3 LEU 35 -4.175 -0.465 -8.520 309 HB3 LEU 35 HB2 LEU 35 -3.327 -1.385 -7.254 310 HG LEU 35 HG LEU 35 -2.516 1.397 -8.195 311 HD11 LEU 35 HD11 LEU 35 -3.986 0.490 -5.683 312 HD12 LEU 35 HD12 LEU 35 -3.406 2.145 -5.996 313 HD13 LEU 35 HD13 LEU 35 -4.687 1.442 -7.015 314 HD21 LEU 35 HD21 LEU 35 -0.672 -0.003 -7.344 315 HD22 LEU 35 HD22 LEU 35 -1.052 1.316 -6.209 316 HD23 LEU 35 HD23 LEU 35 -1.608 -0.342 -5.867 317 H SER 36 H SER 36 -4.160 -1.722 -10.573 318 HA SER 36 HA SER 36 -4.716 -4.268 -9.979 319 HB2 SER 36 HB3 SER 36 -4.630 -2.974 -12.741 320 HB3 SER 36 HB2 SER 36 -5.537 -4.444 -12.321 321 HG SER 36 HG SER 36 -5.816 -1.858 -11.205 322 H GLN 37 H GLN 37 -2.170 -3.251 -12.311 323 HA GLN 37 HA GLN 37 -1.533 -5.606 -13.416 324 HB2 GLN 37 HB3 GLN 37 -0.446 -3.442 -13.917 325 HB3 GLN 37 HB2 GLN 37 0.367 -3.493 -12.334 326 HG2 GLN 37 HG3 GLN 37 1.965 -4.327 -13.918 327 HG3 GLN 37 HG2 GLN 37 1.346 -5.746 -13.040 328 HE21 GLN 37 HE21 GLN 37 2.163 -4.780 -16.093 329 HE22 GLN 37 HE22 GLN 37 1.066 -5.703 -16.965 330 H ARG 38 H ARG 38 -0.229 -4.526 -10.179 331 HA ARG 38 HA ARG 38 0.615 -7.332 -9.965 332 HB2 ARG 38 HB3 ARG 38 1.805 -4.827 -8.698 333 HB3 ARG 38 HB2 ARG 38 2.365 -6.491 -8.410 334 HG2 ARG 38 HG3 ARG 38 2.250 -5.172 -11.154 335 HG3 ARG 38 HG2 ARG 38 3.717 -5.258 -10.151 336 HD2 ARG 38 HD3 ARG 38 2.105 -7.698 -11.015 337 HD3 ARG 38 HD2 ARG 38 3.547 -7.104 -11.871 338 HE ARG 38 HE ARG 38 4.387 -7.349 -9.332 339 HH11 ARG 38 HH11 ARG 38 2.698 -9.398 -11.579 340 HH12 ARG 38 HH12 ARG 38 3.396 -10.828 -11.040 341 HH21 ARG 38 HH21 ARG 38 5.375 -9.332 -8.601 342 HH22 ARG 38 HH22 ARG 38 4.924 -10.790 -9.302 343 H LEU 39 H LEU 39 -1.814 -5.353 -8.999 344 HA LEU 39 HA LEU 39 -1.686 -6.040 -6.194 345 HB2 LEU 39 HB3 LEU 39 -2.567 -3.838 -7.010 346 HB3 LEU 39 HB2 LEU 39 -3.863 -4.704 -7.866 347 HG LEU 39 HG LEU 39 -4.612 -5.648 -5.676 348 HD11 LEU 39 HD11 LEU 39 -3.670 -4.697 -3.594 349 HD12 LEU 39 HD12 LEU 39 -2.401 -5.518 -4.537 350 HD13 LEU 39 HD13 LEU 39 -2.509 -3.743 -4.548 351 HD21 LEU 39 HD21 LEU 39 -4.336 -2.609 -5.638 352 HD22 LEU 39 HD22 LEU 39 -5.486 -3.489 -6.670 353 HD23 LEU 39 HD23 LEU 39 -5.635 -3.576 -4.897 354 H GLY 40 H GLY 40 -3.767 -6.731 -9.073 355 HA2 GLY 40 HA3 GLY 40 -4.077 -9.131 -9.375 356 HA3 GLY 40 HA2 GLY 40 -4.454 -9.195 -7.643 357 H LEU 41 H LEU 41 -6.022 -6.429 -8.227 358 HA LEU 41 HA LEU 41 -8.176 -7.881 -9.554 359 HB2 LEU 41 HB3 LEU 41 -9.788 -6.607 -8.092 360 HB3 LEU 41 HB2 LEU 41 -8.863 -7.891 -7.293 361 HG LEU 41 HG LEU 41 -9.099 -5.698 -6.013 362 HD11 LEU 41 HD11 LEU 41 -6.289 -6.702 -6.626 363 HD12 LEU 41 HD12 LEU 41 -6.807 -5.841 -5.159 364 HD13 LEU 41 HD13 LEU 41 -7.434 -7.470 -5.500 365 HD21 LEU 41 HD21 LEU 41 -7.574 -3.889 -6.638 366 HD22 LEU 41 HD22 LEU 41 -7.007 -4.816 -8.048 367 HD23 LEU 41 HD23 LEU 41 -8.683 -4.222 -7.985 368 H ASN 42 H ASN 42 -9.947 -6.133 -10.291 369 HA ASN 42 HA ASN 42 -8.269 -4.385 -11.848 370 HB2 ASN 42 HB3 ASN 42 -11.106 -5.376 -12.106 371 HB3 ASN 42 HB2 ASN 42 -10.519 -4.009 -13.086 372 HD21 ASN 42 HD21 ASN 42 -8.290 -4.432 -14.149 373 HD22 ASN 42 HD22 ASN 42 -8.080 -5.970 -14.800 374 H GLU 43 H GLU 43 -9.444 -2.347 -12.595 375 HA GLU 43 HA GLU 43 -9.241 -0.555 -10.535 376 HB2 GLU 43 HB3 GLU 43 -10.863 -0.161 -13.079 377 HB3 GLU 43 HB2 GLU 43 -9.976 1.064 -12.142 378 HG2 GLU 43 HG3 GLU 43 -8.589 0.562 -14.026 379 HG3 GLU 43 HG2 GLU 43 -7.853 -0.317 -12.663 380 H GLU 44 H GLU 44 -12.071 -2.390 -11.638 381 HA GLU 44 HA GLU 44 -14.031 -0.785 -10.480 382 HB2 GLU 44 HB3 GLU 44 -14.484 -2.708 -11.980 383 HB3 GLU 44 HB2 GLU 44 -13.838 -3.820 -10.750 384 HG2 GLU 44 HG3 GLU 44 -15.589 -3.114 -9.165 385 HG3 GLU 44 HG2 GLU 44 -16.209 -1.942 -10.354 386 H GLN 45 H GLN 45 -11.984 -3.436 -9.110 387 HA GLN 45 HA GLN 45 -13.361 -3.233 -6.636 388 HB2 GLN 45 HB3 GLN 45 -10.702 -4.519 -7.388 389 HB3 GLN 45 HB2 GLN 45 -11.584 -4.778 -5.866 390 HG2 GLN 45 HG3 GLN 45 -12.649 -5.402 -8.651 391 HG3 GLN 45 HG2 GLN 45 -12.031 -6.602 -7.493 392 HE21 GLN 45 HE21 GLN 45 -13.153 -6.187 -5.138 393 HE22 GLN 45 HE22 GLN 45 -14.825 -6.057 -5.244 394 H ILE 46 H ILE 46 -10.958 -1.273 -8.136 395 HA ILE 46 HA ILE 46 -9.690 -0.542 -5.666 396 HB ILE 46 HB ILE 46 -9.787 0.853 -8.384 397 HG12 ILE 46 HG13 ILE 46 -8.715 -1.405 -8.471 398 HG13 ILE 46 HG12 ILE 46 -7.542 -0.092 -8.731 399 HG21 ILE 46 HG21 ILE 46 -7.946 1.209 -5.979 400 HG22 ILE 46 HG22 ILE 46 -7.840 2.096 -7.518 401 HG23 ILE 46 HG23 ILE 46 -9.251 2.320 -6.454 402 HD11 ILE 46 HD11 ILE 46 -6.645 -1.770 -7.159 403 HD12 ILE 46 HD12 ILE 46 -6.890 -0.210 -6.338 404 HD13 ILE 46 HD13 ILE 46 -8.053 -1.537 -6.094 405 H GLU 47 H GLU 47 -12.217 0.713 -7.897 406 HA GLU 47 HA GLU 47 -12.656 3.000 -6.295 407 HB2 GLU 47 HB3 GLU 47 -14.321 1.604 -8.436 408 HB3 GLU 47 HB2 GLU 47 -14.715 3.190 -7.728 409 HG2 GLU 47 HG3 GLU 47 -12.570 4.104 -8.495 410 HG3 GLU 47 HG2 GLU 47 -12.097 2.516 -9.144 411 H ARG 48 H ARG 48 -13.834 -0.350 -6.144 412 HA ARG 48 HA ARG 48 -16.062 0.425 -4.520 413 HB2 ARG 48 HB3 ARG 48 -14.816 -2.125 -5.459 414 HB3 ARG 48 HB2 ARG 48 -15.656 -2.178 -3.891 415 HG2 ARG 48 HG3 ARG 48 -17.230 -2.704 -5.698 416 HG3 ARG 48 HG2 ARG 48 -17.669 -1.174 -4.910 417 HD2 ARG 48 HD3 ARG 48 -16.604 0.090 -6.753 418 HD3 ARG 48 HD2 ARG 48 -16.122 -1.444 -7.521 419 HE ARG 48 HE ARG 48 -18.843 -1.548 -7.101 420 HH11 ARG 48 HH11 ARG 48 -16.470 0.291 -8.865 421 HH12 ARG 48 HH12 ARG 48 -17.477 0.632 -10.166 422 HH21 ARG 48 HH21 ARG 48 -20.229 -1.079 -8.898 423 HH22 ARG 48 HH22 ARG 48 -19.658 -0.162 -10.185 424 H TRP 49 H TRP 49 -12.696 -0.766 -3.960 425 HA TRP 49 HA TRP 49 -12.947 -0.830 -1.174 426 HB2 TRP 49 HB3 TRP 49 -10.949 -1.728 -2.290 427 HB3 TRP 49 HB2 TRP 49 -10.589 -0.121 -2.972 428 HD1 TRP 49 HD1 TRP 49 -10.708 -1.871 0.492 429 HE1 TRP 49 HE1 TRP 49 -9.359 -0.507 2.103 430 HE3 TRP 49 HE3 TRP 49 -9.618 1.907 -2.549 431 HZ2 TRP 49 HZ2 TRP 49 -8.055 1.936 2.056 432 HZ3 TRP 49 HZ3 TRP 49 -8.335 3.780 -1.695 433 HH2 TRP 49 HH2 TRP 49 -7.580 3.799 0.585 434 H PHE 50 H PHE 50 -12.125 1.803 -3.452 435 HA PHE 50 HA PHE 50 -11.339 3.643 -1.564 436 HB2 PHE 50 HB3 PHE 50 -10.996 3.813 -4.029 437 HB3 PHE 50 HB2 PHE 50 -12.741 4.108 -4.221 438 HD1 PHE 50 HD2 PHE 50 -9.915 5.327 -2.182 439 HD2 PHE 50 HD1 PHE 50 -13.401 6.304 -4.260 440 HE1 PHE 50 HE2 PHE 50 -9.545 7.658 -1.699 441 HE2 PHE 50 HE1 PHE 50 -13.031 8.636 -3.777 442 HZ PHE 50 HZ PHE 50 -11.102 9.314 -2.503 443 H ARG 51 H ARG 51 -14.682 3.234 -2.988 444 HA ARG 51 HA ARG 51 -15.450 5.352 -1.245 445 HB2 ARG 51 HB3 ARG 51 -17.678 5.044 -2.120 446 HB3 ARG 51 HB2 ARG 51 -16.496 5.015 -3.442 447 HG2 ARG 51 HG3 ARG 51 -17.700 3.187 -4.080 448 HG3 ARG 51 HG2 ARG 51 -16.642 2.350 -2.918 449 HD2 ARG 51 HD3 ARG 51 -18.346 2.649 -1.156 450 HD3 ARG 51 HD2 ARG 51 -19.374 3.569 -2.275 451 HE ARG 51 HE ARG 51 -18.661 0.766 -2.740 452 HH11 ARG 51 HH11 ARG 51 -20.864 3.454 -2.572 453 HH12 ARG 51 HH12 ARG 51 -22.200 2.595 -3.117 454 HH21 ARG 51 HH21 ARG 51 -20.511 -0.423 -3.497 455 HH22 ARG 51 HH22 ARG 51 -21.996 0.348 -3.654 456 H ARG 52 H ARG 52 -15.674 1.745 -1.092 457 HA ARG 52 HA ARG 52 -17.308 1.838 1.185 458 HB2 ARG 52 HB3 ARG 52 -15.264 -0.210 0.245 459 HB3 ARG 52 HB2 ARG 52 -16.378 -0.473 1.604 460 HG2 ARG 52 HG3 ARG 52 -17.408 0.332 -1.139 461 HG3 ARG 52 HG2 ARG 52 -17.071 -1.366 -0.727 462 HD2 ARG 52 HD3 ARG 52 -19.392 -0.994 -0.240 463 HD3 ARG 52 HD2 ARG 52 -18.538 -1.092 1.316 464 HE ARG 52 HE ARG 52 -18.831 1.564 0.289 465 HH11 ARG 52 HH11 ARG 52 -20.219 -1.067 2.089 466 HH12 ARG 52 HH12 ARG 52 -21.265 -0.108 2.989 467 HH21 ARG 52 HH21 ARG 52 -20.275 2.894 1.535 468 HH22 ARG 52 HH22 ARG 52 -21.296 2.191 2.669 469 H LYS 53 H LYS 53 -14.018 2.884 0.885 470 HA LYS 53 HA LYS 53 -13.311 2.015 3.508 471 HB2 LYS 53 HB3 LYS 53 -11.752 2.498 1.510 472 HB3 LYS 53 HB2 LYS 53 -11.990 4.217 1.889 473 HG2 LYS 53 HG3 LYS 53 -9.947 3.286 2.967 474 HG3 LYS 53 HG2 LYS 53 -11.126 3.808 4.194 475 HD2 LYS 53 HD3 LYS 53 -11.727 1.611 4.740 476 HD3 LYS 53 HD2 LYS 53 -11.228 0.979 3.160 477 HE2 LYS 53 HE3 LYS 53 -9.736 0.255 5.008 478 HE3 LYS 53 HE2 LYS 53 -8.881 1.147 3.739 479 HZ1 LYS 53 HZ1 LYS 53 -8.439 1.677 6.150 480 HZ2 LYS 53 HZ2 LYS 53 -8.618 2.939 5.081 481 HZ3 LYS 53 HZ3 LYS 53 -9.871 2.536 6.115 482 H GLU 54 H GLU 54 -14.581 5.003 1.984 483 HA GLU 54 HA GLU 54 -14.436 6.271 4.610 484 HB2 GLU 54 HB3 GLU 54 -15.254 7.386 1.891 485 HB3 GLU 54 HB2 GLU 54 -14.816 8.312 3.345 486 HG2 GLU 54 HG3 GLU 54 -12.513 7.396 3.225 487 HG3 GLU 54 HG2 GLU 54 -12.957 6.485 1.761 488 H GLN 55 H GLN 55 -16.757 5.436 2.007 489 HA GLN 55 HA GLN 55 -18.897 6.794 3.135 490 HB2 GLN 55 HB3 GLN 55 -18.801 4.368 1.294 491 HB3 GLN 55 HB2 GLN 55 -20.264 5.315 1.647 492 HG2 GLN 55 HG3 GLN 55 -17.710 6.472 0.465 493 HG3 GLN 55 HG2 GLN 55 -19.137 6.015 -0.495 494 HE21 GLN 55 HE21 GLN 55 -18.314 8.686 -0.558 495 HE22 GLN 55 HE22 GLN 55 -19.433 9.606 0.294 496 H GLN 56 H GLN 56 -17.380 3.953 4.357 497 HA GLN 56 HA GLN 56 -19.585 2.479 5.103 498 HB2 GLN 56 HB3 GLN 56 -17.226 1.744 5.304 499 HB3 GLN 56 HB2 GLN 56 -16.963 2.945 6.590 500 HG2 GLN 56 HG3 GLN 56 -17.407 0.718 7.552 501 HG3 GLN 56 HG2 GLN 56 -18.725 1.840 7.962 502 HE21 GLN 56 HE21 GLN 56 -20.703 0.823 7.772 503 HE22 GLN 56 HE22 GLN 56 -21.077 -0.297 6.576 504 H ILE 57 H ILE 57 -18.251 5.480 6.591 505 HA ILE 57 HA ILE 57 -20.485 5.158 8.478 506 HB ILE 57 HB ILE 57 -19.049 6.229 10.166 507 HG12 ILE 57 HG13 ILE 57 -16.553 6.409 9.487 508 HG13 ILE 57 HG12 ILE 57 -17.143 6.412 7.810 509 HG21 ILE 57 HG21 ILE 57 -18.947 3.747 9.871 510 HG22 ILE 57 HG22 ILE 57 -17.583 3.961 8.747 511 HG23 ILE 57 HG23 ILE 57 -17.409 4.426 10.455 512 HD11 ILE 57 HD11 ILE 57 -18.621 8.361 8.387 513 HD12 ILE 57 HD12 ILE 57 -17.952 8.347 10.031 514 HD13 ILE 57 HD13 ILE 57 -16.904 8.722 8.644 515 H GLY 58 H GLY 58 -19.806 6.961 5.794 516 HA2 GLY 58 HA3 GLY 58 -21.277 8.963 5.747 517 HA3 GLY 58 HA2 GLY 58 -20.516 9.375 7.297 518 H TRP 59 H TRP 59 -18.220 7.971 5.179 519 HA TRP 59 HA TRP 59 -16.738 8.787 3.743 520 HB2 TRP 59 HB3 TRP 59 -18.604 9.878 2.597 521 HB3 TRP 59 HB2 TRP 59 -18.460 11.276 3.685 522 HD1 TRP 59 HD1 TRP 59 -16.282 9.446 1.064 523 HE1 TRP 59 HE1 TRP 59 -14.699 11.124 0.088 524 HE3 TRP 59 HE3 TRP 59 -17.482 13.291 3.979 525 HZ2 TRP 59 HZ2 TRP 59 -14.073 13.778 0.536 526 HZ3 TRP 59 HZ3 TRP 59 -16.348 15.412 3.657 527 HH2 TRP 59 HH2 TRP 59 -14.667 15.650 1.957 528 H SER 60 H SER 60 -16.610 9.595 6.883 529 HA SER 60 HA SER 60 -14.895 11.867 6.311 530 HB2 SER 60 HB3 SER 60 -14.699 12.213 8.677 531 HB3 SER 60 HB2 SER 60 -16.421 11.954 8.316 532 HG SER 60 HG SER 60 -15.677 10.809 10.122 533 H HIS 61 H HIS 61 -14.631 8.530 6.341 534 HA HIS 61 HA HIS 61 -12.900 7.160 6.251 535 HB2 HIS 61 HB3 HIS 61 -12.084 8.887 4.650 536 HB3 HIS 61 HB2 HIS 61 -11.259 9.706 5.996 537 HD1 HIS 61 HD1 HIS 61 -11.281 6.130 4.658 538 HD2 HIS 61 HD2 HIS 61 -8.816 8.988 6.242 539 HE1 HIS 61 HE1 HIS 61 -8.964 5.183 4.698 540 HE2 HIS 61 HE2 HIS 61 -7.473 6.944 5.668 541 HA PRO 62 HA PRO 62 -11.138 8.114 10.379 542 HB2 PRO 62 HB3 PRO 62 -12.843 7.057 12.190 543 HB3 PRO 62 HB2 PRO 62 -13.230 8.643 11.441 544 HG2 PRO 62 HG3 PRO 62 -14.239 5.891 10.644 545 HG3 PRO 62 HG2 PRO 62 -15.195 7.384 10.901 546 HD2 PRO 62 HD3 PRO 62 -14.308 6.528 8.401 547 HD3 PRO 62 HD2 PRO 62 -14.578 8.251 8.821 548 H GLN 63 H GLN 63 -12.034 5.521 8.497 549 HA GLN 63 HA GLN 63 -11.039 3.630 10.485 550 HB2 GLN 63 HB3 GLN 63 -12.530 3.240 7.850 551 HB3 GLN 63 HB2 GLN 63 -11.944 1.928 8.896 552 HG2 GLN 63 HG3 GLN 63 -13.318 2.908 10.777 553 HG3 GLN 63 HG2 GLN 63 -14.006 4.054 9.600 554 HE21 GLN 63 HE21 GLN 63 -13.344 1.229 7.900 555 HE22 GLN 63 HE22 GLN 63 -14.860 0.518 8.044 556 H PHE 64 H PHE 64 -9.013 2.862 10.244 557 HA PHE 64 HA PHE 64 -7.802 3.205 7.592 558 HB2 PHE 64 HB3 PHE 64 -6.531 3.267 10.375 559 HB3 PHE 64 HB2 PHE 64 -5.650 3.321 8.829 560 HD1 PHE 64 HD1 PHE 64 -8.272 5.101 10.721 561 HD2 PHE 64 HD2 PHE 64 -5.329 5.314 7.770 562 HE1 PHE 64 HE1 PHE 64 -8.581 7.486 10.585 563 HE2 PHE 64 HE2 PHE 64 -5.629 7.701 7.644 564 HZ PHE 64 HZ PHE 64 -7.259 8.787 9.047 565 H GLU 65 H GLU 65 -7.662 1.261 10.636 566 HA GLU 65 HA GLU 65 -6.814 -0.973 8.971 567 HB2 GLU 65 HB3 GLU 65 -6.255 -2.052 11.099 568 HB3 GLU 65 HB2 GLU 65 -5.540 -0.422 11.078 569 HG2 GLU 65 HG3 GLU 65 -7.488 0.433 12.367 570 HG3 GLU 65 HG2 GLU 65 -8.176 -1.209 12.405 571 H LYS 66 H LYS 66 -9.702 0.390 9.924 572 HA LYS 66 HA LYS 66 -10.853 -2.202 10.571 573 HB2 LYS 66 HB3 LYS 66 -12.038 0.611 10.541 574 HB3 LYS 66 HB2 LYS 66 -12.897 -0.861 11.049 575 HG2 LYS 66 HG3 LYS 66 -10.325 0.181 12.316 576 HG3 LYS 66 HG2 LYS 66 -11.957 0.427 12.983 577 HD2 LYS 66 HD3 LYS 66 -10.683 -2.292 12.436 578 HD3 LYS 66 HD2 LYS 66 -10.798 -1.518 14.035 579 HE2 LYS 66 HE3 LYS 66 -13.162 -2.241 12.246 580 HE3 LYS 66 HE2 LYS 66 -12.642 -3.143 13.690 581 HZ1 LYS 66 HZ1 LYS 66 -14.405 -1.623 14.191 582 HZ2 LYS 66 HZ2 LYS 66 -13.008 -1.167 14.982 583 HZ3 LYS 66 HZ3 LYS 66 -13.511 -0.333 13.626 584 H1 MET 1 H1 MET 1 8.846 -14.962 -6.799 585 H2 MET 1 H2 MET 1 8.466 -16.237 -5.791 586 H3 MET 1 H3 MET 1 10.019 -15.627 -5.816 587 HA MET 1 HA MET 1 8.864 -14.900 -3.855 588 HB2 MET 1 HB3 MET 1 9.427 -12.813 -6.011 589 HB3 MET 1 HB2 MET 1 9.148 -12.413 -4.301 590 HG2 MET 1 HG3 MET 1 11.088 -13.753 -3.628 591 HG3 MET 1 HG2 MET 1 11.332 -14.282 -5.310 592 HE1 MET 1 HE1 MET 1 11.310 -11.566 -2.740 593 HE2 MET 1 HE2 MET 1 11.600 -10.059 -3.641 594 HE3 MET 1 HE3 MET 1 10.099 -10.976 -3.904 595 H GLU 2 H GLU 2 6.675 -15.060 -3.277 596 HA GLU 2 HA GLU 2 4.947 -13.270 -4.814 597 HB2 GLU 2 HB3 GLU 2 3.162 -14.947 -4.752 598 HB3 GLU 2 HB2 GLU 2 4.589 -15.581 -5.596 599 HG2 GLU 2 HG3 GLU 2 5.270 -16.735 -3.463 600 HG3 GLU 2 HG2 GLU 2 3.726 -16.211 -2.743 601 H LYS 3 H LYS 3 5.382 -15.195 -1.785 602 HA LYS 3 HA LYS 3 3.853 -13.046 -0.528 603 HB2 LYS 3 HB3 LYS 3 3.418 -14.657 1.300 604 HB3 LYS 3 HB2 LYS 3 2.840 -15.299 -0.255 605 HG2 LYS 3 HG3 LYS 3 4.997 -16.561 -0.486 606 HG3 LYS 3 HG2 LYS 3 5.460 -16.006 1.142 607 HD2 LYS 3 HD3 LYS 3 2.942 -17.600 0.468 608 HD3 LYS 3 HD2 LYS 3 4.424 -18.280 1.182 609 HE2 LYS 3 HE3 LYS 3 4.183 -16.755 3.126 610 HE3 LYS 3 HE2 LYS 3 2.689 -16.095 2.419 611 HZ1 LYS 3 HZ1 LYS 3 1.749 -18.282 2.499 612 HZ2 LYS 3 HZ2 LYS 3 3.151 -18.907 3.151 613 HZ3 LYS 3 HZ3 LYS 3 2.243 -17.810 4.021 614 H ARG 4 H ARG 4 4.760 -12.656 1.836 615 HA ARG 4 HA ARG 4 7.612 -12.395 1.492 616 HB2 ARG 4 HB3 ARG 4 6.695 -10.460 2.367 617 HB3 ARG 4 HB2 ARG 4 5.463 -11.328 3.301 618 HG2 ARG 4 HG3 ARG 4 8.325 -11.750 4.089 619 HG3 ARG 4 HG2 ARG 4 7.566 -10.186 4.488 620 HD2 ARG 4 HD3 ARG 4 6.333 -12.907 5.138 621 HD3 ARG 4 HD2 ARG 4 7.213 -11.879 6.294 622 HE ARG 4 HE ARG 4 5.483 -10.158 5.661 623 HH11 ARG 4 HH11 ARG 4 4.994 -13.606 5.705 624 HH12 ARG 4 HH12 ARG 4 3.349 -13.522 6.033 625 HH21 ARG 4 HH21 ARG 4 3.211 -10.043 6.086 626 HH22 ARG 4 HH22 ARG 4 2.315 -11.453 6.257 627 HA PRO 5 HA PRO 5 7.758 -16.226 3.684 628 HB2 PRO 5 HB3 PRO 5 10.378 -16.842 3.252 629 HB3 PRO 5 HB2 PRO 5 9.153 -16.899 1.945 630 HG2 PRO 5 HG3 PRO 5 11.129 -14.680 2.556 631 HG3 PRO 5 HG2 PRO 5 10.727 -15.409 0.973 632 HD2 PRO 5 HD3 PRO 5 9.597 -13.057 1.917 633 HD3 PRO 5 HD2 PRO 5 8.750 -14.181 0.807 634 H ARG 6 H ARG 6 10.493 -13.928 4.214 635 HA ARG 6 HA ARG 6 10.199 -14.713 7.015 636 HB2 ARG 6 HB3 ARG 6 12.716 -14.477 7.177 637 HB3 ARG 6 HB2 ARG 6 12.142 -15.913 6.304 638 HG2 ARG 6 HG3 ARG 6 12.499 -13.596 4.529 639 HG3 ARG 6 HG2 ARG 6 14.003 -14.073 5.356 640 HD2 ARG 6 HD3 ARG 6 13.719 -16.396 4.624 641 HD3 ARG 6 HD2 ARG 6 12.169 -15.990 3.856 642 HE ARG 6 HE ARG 6 14.055 -14.297 2.792 643 HH11 ARG 6 HH11 ARG 6 13.399 -17.707 3.039 644 HH12 ARG 6 HH12 ARG 6 14.086 -18.102 1.557 645 HH21 ARG 6 HH21 ARG 6 15.008 -14.842 0.756 646 HH22 ARG 6 HH22 ARG 6 15.024 -16.438 0.232 647 H THR 7 H THR 7 8.911 -12.589 6.545 648 HA THR 7 HA THR 7 8.678 -10.380 6.796 649 HB THR 7 HB THR 7 9.844 -9.529 8.774 650 HG1 THR 7 HG1 THR 7 11.873 -10.385 8.251 651 HG21 THR 7 HG21 THR 7 9.235 -12.507 9.062 652 HG22 THR 7 HG22 THR 7 9.143 -11.274 10.342 653 HG23 THR 7 HG23 THR 7 7.992 -11.239 8.983 654 H GLU 8 H GLU 8 9.967 -10.579 4.425 655 HA GLU 8 HA GLU 8 12.053 -8.538 4.746 656 HB2 GLU 8 HB3 GLU 8 13.159 -9.544 2.796 657 HB3 GLU 8 HB2 GLU 8 12.993 -10.747 4.097 658 HG2 GLU 8 HG3 GLU 8 11.036 -11.725 2.998 659 HG3 GLU 8 HG2 GLU 8 11.052 -10.445 1.760 660 H PHE 9 H PHE 9 8.967 -8.695 3.908 661 HA PHE 9 HA PHE 9 7.633 -7.802 2.449 662 HB2 PHE 9 HB3 PHE 9 8.011 -5.561 1.686 663 HB3 PHE 9 HB2 PHE 9 8.460 -5.757 3.385 664 HD1 PHE 9 HD2 PHE 9 9.920 -5.606 0.014 665 HD2 PHE 9 HD1 PHE 9 10.514 -5.119 4.108 666 HE1 PHE 9 HE2 PHE 9 12.076 -4.621 -0.421 667 HE2 PHE 9 HE1 PHE 9 12.678 -4.140 3.680 668 HZ PHE 9 HZ PHE 9 13.455 -3.886 1.414 669 H SER 10 H SER 10 7.485 -9.418 0.942 670 HA SER 10 HA SER 10 9.390 -9.513 -1.197 671 HB2 SER 10 HB3 SER 10 8.195 -11.528 -0.263 672 HB3 SER 10 HB2 SER 10 6.669 -10.855 -0.884 673 HG SER 10 HG SER 10 8.999 -11.582 -2.304 674 H GLU 11 H GLU 11 7.939 -9.798 -3.470 675 HA GLU 11 HA GLU 11 7.470 -7.223 -4.268 676 HB2 GLU 11 HB3 GLU 11 6.379 -9.871 -5.306 677 HB3 GLU 11 HB2 GLU 11 6.228 -8.324 -6.169 678 HG2 GLU 11 HG3 GLU 11 8.692 -8.083 -6.184 679 HG3 GLU 11 HG2 GLU 11 8.851 -9.649 -5.349 680 H GLU 12 H GLU 12 5.086 -9.597 -2.996 681 HA GLU 12 HA GLU 12 2.852 -8.126 -3.732 682 HB2 GLU 12 HB3 GLU 12 2.851 -10.491 -2.874 683 HB3 GLU 12 HB2 GLU 12 3.270 -9.860 -1.261 684 HG2 GLU 12 HG3 GLU 12 0.920 -10.013 -1.146 685 HG3 GLU 12 HG2 GLU 12 1.177 -8.314 -1.608 686 H GLN 13 H GLN 13 5.185 -7.661 -1.149 687 HA GLN 13 HA GLN 13 3.371 -5.966 0.340 688 HB2 GLN 13 HB3 GLN 13 6.309 -6.646 0.782 689 HB3 GLN 13 HB2 GLN 13 5.183 -5.955 1.967 690 HG2 GLN 13 HG3 GLN 13 5.067 -8.749 0.753 691 HG3 GLN 13 HG2 GLN 13 5.531 -8.329 2.411 692 HE21 GLN 13 HE21 GLN 13 3.110 -9.752 0.840 693 HE22 GLN 13 HE22 GLN 13 1.833 -9.271 1.817 694 H LYS 14 H LYS 14 6.391 -5.820 -1.592 695 HA LYS 14 HA LYS 14 7.247 -3.296 -1.029 696 HB2 LYS 14 HB3 LYS 14 7.129 -4.836 -3.663 697 HB3 LYS 14 HB2 LYS 14 8.046 -3.331 -3.439 698 HG2 LYS 14 HG3 LYS 14 9.406 -4.379 -1.686 699 HG3 LYS 14 HG2 LYS 14 8.470 -5.884 -1.832 700 HD2 LYS 14 HD3 LYS 14 9.165 -6.036 -4.236 701 HD3 LYS 14 HD2 LYS 14 10.176 -4.592 -4.006 702 HE2 LYS 14 HE3 LYS 14 11.476 -5.774 -2.262 703 HE3 LYS 14 HE2 LYS 14 10.447 -7.212 -2.465 704 HZ1 LYS 14 HZ1 LYS 14 12.471 -7.387 -3.712 705 HZ2 LYS 14 HZ2 LYS 14 11.157 -7.329 -4.739 706 HZ3 LYS 14 HZ3 LYS 14 12.125 -5.984 -4.546 707 H LYS 15 H LYS 15 4.632 -4.327 -3.227 708 HA LYS 15 HA LYS 15 4.158 -1.958 -4.564 709 HB2 LYS 15 HB3 LYS 15 2.379 -4.125 -3.355 710 HB3 LYS 15 HB2 LYS 15 1.754 -2.877 -4.449 711 HG2 LYS 15 HG3 LYS 15 2.758 -3.819 -6.312 712 HG3 LYS 15 HG2 LYS 15 4.108 -4.519 -5.366 713 HD2 LYS 15 HD3 LYS 15 2.242 -6.181 -6.141 714 HD3 LYS 15 HD2 LYS 15 2.742 -6.209 -4.433 715 HE2 LYS 15 HE3 LYS 15 0.859 -4.424 -4.086 716 HE3 LYS 15 HE2 LYS 15 0.220 -5.052 -5.626 717 HZ1 LYS 15 HZ1 LYS 15 0.328 -7.258 -4.647 718 HZ2 LYS 15 HZ2 LYS 15 0.876 -6.604 -3.209 719 HZ3 LYS 15 HZ3 LYS 15 -0.666 -6.248 -3.761 720 H ALA 16 H ALA 16 2.748 -3.180 -1.481 721 HA ALA 16 HA ALA 16 1.009 -1.103 -1.059 722 HB1 ALA 16 HB1 ALA 16 2.582 -2.739 0.982 723 HB2 ALA 16 HB2 ALA 16 1.076 -1.846 1.292 724 HB3 ALA 16 HB3 ALA 16 1.068 -3.252 0.201 725 H LEU 17 H LEU 17 4.446 -1.406 0.062 726 HA LEU 17 HA LEU 17 4.233 0.976 1.544 727 HB2 LEU 17 HB3 LEU 17 6.520 -0.659 0.397 728 HB3 LEU 17 HB2 LEU 17 6.811 0.898 1.208 729 HG LEU 17 HG LEU 17 5.692 0.120 3.235 730 HD11 LEU 17 HD11 LEU 17 4.028 -1.332 2.102 731 HD12 LEU 17 HD12 LEU 17 5.322 -2.483 1.690 732 HD13 LEU 17 HD13 LEU 17 4.880 -2.207 3.390 733 HD21 LEU 17 HD21 LEU 17 7.721 -1.892 2.156 734 HD22 LEU 17 HD22 LEU 17 8.100 -0.376 3.006 735 HD23 LEU 17 HD23 LEU 17 7.280 -1.698 3.870 736 H ASP 18 H ASP 18 4.806 0.361 -1.927 737 HA ASP 18 HA ASP 18 5.907 2.939 -2.302 738 HB2 ASP 18 HB3 ASP 18 6.206 1.018 -3.900 739 HB3 ASP 18 HB2 ASP 18 4.488 1.174 -4.339 740 H LEU 19 H LEU 19 2.650 1.822 -1.729 741 HA LEU 19 HA LEU 19 1.490 3.972 -3.223 742 HB2 LEU 19 HB3 LEU 19 0.519 1.882 -1.264 743 HB3 LEU 19 HB2 LEU 19 -0.473 3.323 -1.556 744 HG LEU 19 HG LEU 19 -0.479 2.858 -3.981 745 HD11 LEU 19 HD11 LEU 19 1.765 1.718 -4.005 746 HD12 LEU 19 HD12 LEU 19 0.998 0.313 -3.219 747 HD13 LEU 19 HD13 LEU 19 0.505 0.795 -4.855 748 HD21 LEU 19 HD21 LEU 19 -2.247 1.865 -2.537 749 HD22 LEU 19 HD22 LEU 19 -1.863 0.802 -3.910 750 HD23 LEU 19 HD23 LEU 19 -1.227 0.428 -2.293 751 H ALA 20 H ALA 20 2.920 3.546 -0.023 752 HA ALA 20 HA ALA 20 1.450 5.819 0.975 753 HB1 ALA 20 HB1 ALA 20 3.024 5.473 2.933 754 HB2 ALA 20 HB2 ALA 20 2.022 4.054 2.556 755 HB3 ALA 20 HB3 ALA 20 3.730 4.098 2.057 756 H PHE 21 H PHE 21 4.921 5.020 0.636 757 HA PHE 21 HA PHE 21 6.699 6.342 0.474 758 HB2 PHE 21 HB3 PHE 21 5.621 6.428 -1.830 759 HB3 PHE 21 HB2 PHE 21 4.961 8.016 -1.366 760 HD1 PHE 21 HD1 PHE 21 8.167 6.197 -1.036 761 HD2 PHE 21 HD2 PHE 21 6.272 9.780 -2.020 762 HE1 PHE 21 HE1 PHE 21 10.303 7.195 -1.527 763 HE2 PHE 21 HE2 PHE 21 8.404 10.779 -2.518 764 HZ PHE 21 HZ PHE 21 10.419 9.487 -2.270 765 H TYR 22 H TYR 22 5.141 7.024 2.779 766 HA TYR 22 HA TYR 22 5.252 8.587 4.359 767 HB2 TYR 22 HB3 TYR 22 7.493 9.143 3.451 768 HB3 TYR 22 HB2 TYR 22 6.731 10.278 2.311 769 HD1 TYR 22 HD2 TYR 22 6.879 9.548 5.920 770 HD2 TYR 22 HD1 TYR 22 6.345 12.413 2.936 771 HE1 TYR 22 HE2 TYR 22 6.835 11.282 7.594 772 HE2 TYR 22 HE1 TYR 22 6.296 14.147 4.609 773 HH TYR 22 HH TYR 22 6.631 13.586 8.117 774 H PHE 23 H PHE 23 3.324 9.005 1.589 775 HA PHE 23 HA PHE 23 2.788 11.748 2.095 776 HB2 PHE 23 HB3 PHE 23 1.405 9.646 0.402 777 HB3 PHE 23 HB2 PHE 23 0.809 11.313 0.572 778 HD1 PHE 23 HD1 PHE 23 2.786 13.078 0.381 779 HD2 PHE 23 HD2 PHE 23 2.727 9.321 -1.436 780 HE1 PHE 23 HE1 PHE 23 4.315 13.871 -1.305 781 HE2 PHE 23 HE2 PHE 23 4.239 10.120 -3.132 782 HZ PHE 23 HZ PHE 23 5.038 12.392 -3.065 783 H ASP 24 H ASP 24 1.287 8.743 3.389 784 HA ASP 24 HA ASP 24 -0.766 10.580 4.374 785 HB2 ASP 24 HB3 ASP 24 -1.666 8.626 3.182 786 HB3 ASP 24 HB2 ASP 24 -0.724 7.530 4.219 787 H ARG 25 H ARG 25 1.633 10.898 5.569 788 HA ARG 25 HA ARG 25 2.665 10.936 7.547 789 HB2 ARG 25 HB3 ARG 25 0.107 9.675 8.637 790 HB3 ARG 25 HB2 ARG 25 1.390 10.480 9.561 791 HG2 ARG 25 HG3 ARG 25 -0.583 11.732 7.620 792 HG3 ARG 25 HG2 ARG 25 -0.331 12.099 9.341 793 HD2 ARG 25 HD3 ARG 25 0.766 13.878 8.253 794 HD3 ARG 25 HD2 ARG 25 2.104 12.748 8.584 795 HE ARG 25 HE ARG 25 0.887 12.199 6.101 796 HH11 ARG 25 HH11 ARG 25 2.977 14.446 7.749 797 HH12 ARG 25 HH12 ARG 25 3.778 14.948 6.360 798 HH21 ARG 25 HH21 ARG 25 1.974 12.894 4.199 799 HH22 ARG 25 HH22 ARG 25 3.205 14.034 4.296 800 H ARG 26 H ARG 26 2.844 8.580 5.725 801 HA ARG 26 HA ARG 26 2.905 6.401 7.626 802 HB2 ARG 26 HB3 ARG 26 3.581 6.527 4.655 803 HB3 ARG 26 HB2 ARG 26 3.423 5.041 5.626 804 HG2 ARG 26 HG3 ARG 26 1.213 7.106 5.250 805 HG3 ARG 26 HG2 ARG 26 1.349 5.622 4.290 806 HD2 ARG 26 HD3 ARG 26 1.064 4.234 6.281 807 HD3 ARG 26 HD2 ARG 26 1.116 5.683 7.317 808 HE ARG 26 HE ARG 26 -0.915 6.384 6.030 809 HH11 ARG 26 HH11 ARG 26 -0.030 3.051 6.557 810 HH12 ARG 26 HH12 ARG 26 -1.605 2.475 6.469 811 HH21 ARG 26 HH21 ARG 26 -3.030 5.607 5.896 812 HH22 ARG 26 HH22 ARG 26 -3.375 3.968 6.067 813 H LEU 27 H LEU 27 5.076 4.996 7.240 814 HA LEU 27 HA LEU 27 7.296 4.896 7.578 815 HB2 LEU 27 HB3 LEU 27 7.173 5.780 5.270 816 HB3 LEU 27 HB2 LEU 27 7.196 7.438 5.888 817 HG LEU 27 HG LEU 27 9.395 6.490 5.022 818 HD11 LEU 27 HD11 LEU 27 9.361 7.487 7.893 819 HD12 LEU 27 HD12 LEU 27 10.712 7.602 6.745 820 HD13 LEU 27 HD13 LEU 27 9.214 8.514 6.447 821 HD21 LEU 27 HD21 LEU 27 9.221 4.262 6.026 822 HD22 LEU 27 HD22 LEU 27 10.674 5.095 6.629 823 HD23 LEU 27 HD23 LEU 27 9.225 4.974 7.657 824 H THR 28 H THR 28 5.598 6.487 9.589 825 HA THR 28 HA THR 28 7.899 8.049 10.520 826 HB THR 28 HB THR 28 6.299 9.418 11.802 827 HG1 THR 28 HG1 THR 28 4.388 7.757 10.547 828 HG21 THR 28 HG21 THR 28 5.333 9.102 8.936 829 HG22 THR 28 HG22 THR 28 5.119 10.530 9.971 830 HG23 THR 28 HG23 THR 28 6.750 10.058 9.435 831 HA PRO 29 HA PRO 29 8.212 5.399 13.898 832 HB2 PRO 29 HB3 PRO 29 7.346 7.578 15.803 833 HB3 PRO 29 HB2 PRO 29 8.747 6.463 15.935 834 HG2 PRO 29 HG3 PRO 29 9.119 9.002 15.079 835 HG3 PRO 29 HG2 PRO 29 9.950 7.650 14.243 836 HD2 PRO 29 HD3 PRO 29 7.456 9.142 13.398 837 HD3 PRO 29 HD2 PRO 29 8.831 8.575 12.392 838 H GLU 30 H GLU 30 5.092 6.950 13.565 839 HA GLU 30 HA GLU 30 4.157 4.828 15.351 840 HB2 GLU 30 HB3 GLU 30 2.820 7.420 14.467 841 HB3 GLU 30 HB2 GLU 30 2.049 6.162 15.465 842 HG2 GLU 30 HG3 GLU 30 3.837 6.425 17.168 843 HG3 GLU 30 HG2 GLU 30 4.578 7.709 16.181 844 H TRP 31 H TRP 31 4.495 5.602 12.041 845 HA TRP 31 HA TRP 31 2.209 3.861 11.573 846 HB2 TRP 31 HB3 TRP 31 3.315 6.136 9.969 847 HB3 TRP 31 HB2 TRP 31 2.627 4.735 9.111 848 HD1 TRP 31 HD1 TRP 31 0.070 4.401 9.173 849 HE1 TRP 31 HE1 TRP 31 -1.878 5.666 10.104 850 HE3 TRP 31 HE3 TRP 31 2.614 7.624 11.981 851 HZ2 TRP 31 HZ2 TRP 31 -2.244 7.791 11.808 852 HZ3 TRP 31 HZ3 TRP 31 1.394 9.291 13.251 853 HH2 TRP 31 HH2 TRP 31 -1.005 9.375 13.163 854 H ARG 32 H ARG 32 5.568 3.803 11.774 855 HA ARG 32 HA ARG 32 5.956 1.963 9.607 856 HB2 ARG 32 HB3 ARG 32 7.525 2.655 12.133 857 HB3 ARG 32 HB2 ARG 32 8.094 1.502 10.901 858 HG2 ARG 32 HG3 ARG 32 8.224 3.213 9.222 859 HG3 ARG 32 HG2 ARG 32 7.325 4.362 10.228 860 HD2 ARG 32 HD3 ARG 32 9.201 4.187 11.937 861 HD3 ARG 32 HD2 ARG 32 10.132 3.280 10.723 862 HE ARG 32 HE ARG 32 9.246 5.638 9.554 863 HH11 ARG 32 HH11 ARG 32 11.311 4.528 12.133 864 HH12 ARG 32 HH12 ARG 32 12.322 5.868 12.091 865 HH21 ARG 32 HH21 ARG 32 10.634 7.454 9.489 866 HH22 ARG 32 HH22 ARG 32 11.942 7.563 10.541 867 H ARG 33 H ARG 33 5.524 1.855 13.169 868 HA ARG 33 HA ARG 33 5.433 -0.957 13.252 869 HB2 ARG 33 HB3 ARG 33 4.628 -0.580 15.547 870 HB3 ARG 33 HB2 ARG 33 5.979 0.523 15.190 871 HG2 ARG 33 HG3 ARG 33 4.316 2.317 14.630 872 HG3 ARG 33 HG2 ARG 33 3.005 1.203 15.087 873 HD2 ARG 33 HD3 ARG 33 3.496 2.650 16.986 874 HD3 ARG 33 HD2 ARG 33 4.034 0.997 17.365 875 HE ARG 33 HE ARG 33 6.058 2.641 16.194 876 HH11 ARG 33 HH11 ARG 33 4.371 1.704 19.093 877 HH12 ARG 33 HH12 ARG 33 5.618 2.126 20.137 878 HH21 ARG 33 HH21 ARG 33 7.777 3.219 17.640 879 HH22 ARG 33 HH22 ARG 33 7.592 3.002 19.295 880 H TYR 34 H TYR 34 3.088 1.519 12.428 881 HA TYR 34 HA TYR 34 0.760 0.047 13.005 882 HB2 TYR 34 HB3 TYR 34 0.703 2.467 12.467 883 HB3 TYR 34 HB2 TYR 34 1.401 2.122 10.867 884 HD1 TYR 34 HD2 TYR 34 -1.501 1.135 12.942 885 HD2 TYR 34 HD1 TYR 34 0.030 1.819 9.120 886 HE1 TYR 34 HE2 TYR 34 -3.692 0.778 11.999 887 HE2 TYR 34 HE1 TYR 34 -2.156 1.445 8.176 888 HH TYR 34 HH TYR 34 -4.442 0.949 8.511 889 H LEU 35 H LEU 35 2.774 0.440 10.054 890 HA LEU 35 HA LEU 35 1.218 -1.291 8.498 891 HB2 LEU 35 HB3 LEU 35 4.185 -0.563 8.429 892 HB3 LEU 35 HB2 LEU 35 3.340 -1.471 7.153 893 HG LEU 35 HG LEU 35 2.522 1.297 8.129 894 HD11 LEU 35 HD11 LEU 35 3.982 0.424 5.600 895 HD12 LEU 35 HD12 LEU 35 3.402 2.073 5.936 896 HD13 LEU 35 HD13 LEU 35 4.689 1.359 6.939 897 HD21 LEU 35 HD21 LEU 35 0.680 -0.102 7.266 898 HD22 LEU 35 HD22 LEU 35 1.050 1.235 6.150 899 HD23 LEU 35 HD23 LEU 35 1.612 -0.414 5.781 900 H SER 36 H SER 36 4.177 -1.838 10.468 901 HA SER 36 HA SER 36 4.743 -4.376 9.848 902 HB2 SER 36 HB3 SER 36 4.657 -3.105 12.620 903 HB3 SER 36 HB2 SER 36 5.567 -4.569 12.189 904 HG SER 36 HG SER 36 5.838 -1.975 11.090 905 H GLN 37 H GLN 37 2.197 -3.386 12.193 906 HA GLN 37 HA GLN 37 1.569 -5.752 13.284 907 HB2 GLN 37 HB3 GLN 37 0.471 -3.601 13.804 908 HB3 GLN 37 HB2 GLN 37 -0.340 -3.637 12.221 909 HG2 GLN 37 HG3 GLN 37 -1.936 -4.495 13.794 910 HG3 GLN 37 HG2 GLN 37 -1.311 -5.900 12.898 911 HE21 GLN 37 HE21 GLN 37 -2.132 -4.971 15.962 912 HE22 GLN 37 HE22 GLN 37 -1.034 -5.906 16.824 913 H ARG 38 H ARG 38 0.263 -4.655 10.053 914 HA ARG 38 HA ARG 38 -0.571 -7.462 9.813 915 HB2 ARG 38 HB3 ARG 38 -1.759 -4.948 8.558 916 HB3 ARG 38 HB2 ARG 38 -2.315 -6.612 8.255 917 HG2 ARG 38 HG3 ARG 38 -2.221 -5.310 11.009 918 HG3 ARG 38 HG2 ARG 38 -3.679 -5.386 9.992 919 HD2 ARG 38 HD3 ARG 38 -2.081 -7.836 10.851 920 HD3 ARG 38 HD2 ARG 38 -3.528 -7.245 11.700 921 HE ARG 38 HE ARG 38 -4.355 -7.467 9.158 922 HH11 ARG 38 HH11 ARG 38 -2.663 -9.541 11.380 923 HH12 ARG 38 HH12 ARG 38 -3.357 -10.966 10.821 924 HH21 ARG 38 HH21 ARG 38 -5.338 -9.440 8.401 925 HH22 ARG 38 HH22 ARG 38 -4.887 -10.907 9.082 926 H LEU 39 H LEU 39 1.849 -5.459 8.857 927 HA LEU 39 HA LEU 39 1.718 -6.127 6.049 928 HB2 LEU 39 HB3 LEU 39 2.594 -3.926 6.872 929 HB3 LEU 39 HB2 LEU 39 3.891 -4.793 7.727 930 HG LEU 39 HG LEU 39 4.651 -5.721 5.535 931 HD11 LEU 39 HD11 LEU 39 3.707 -4.766 3.457 932 HD12 LEU 39 HD12 LEU 39 2.439 -5.594 4.394 933 HD13 LEU 39 HD13 LEU 39 2.543 -3.818 4.415 934 HD21 LEU 39 HD21 LEU 39 4.350 -2.683 5.524 935 HD22 LEU 39 HD22 LEU 39 5.512 -3.563 6.541 936 HD23 LEU 39 HD23 LEU 39 5.655 -3.631 4.768 937 H GLY 40 H GLY 40 3.809 -6.825 8.922 938 HA2 GLY 40 HA3 GLY 40 4.130 -9.223 9.208 939 HA3 GLY 40 HA2 GLY 40 4.503 -9.277 7.476 940 H LEU 41 H LEU 41 6.071 -6.511 8.072 941 HA LEU 41 HA LEU 41 8.229 -7.960 9.397 942 HB2 LEU 41 HB3 LEU 41 9.833 -6.661 7.947 943 HB3 LEU 41 HB2 LEU 41 8.919 -7.947 7.137 944 HG LEU 41 HG LEU 41 9.136 -5.742 5.875 945 HD11 LEU 41 HD11 LEU 41 6.331 -6.766 6.479 946 HD12 LEU 41 HD12 LEU 41 6.849 -5.894 5.018 947 HD13 LEU 41 HD13 LEU 41 7.481 -7.522 5.352 948 HD21 LEU 41 HD21 LEU 41 7.599 -3.949 6.508 949 HD22 LEU 41 HD22 LEU 41 7.038 -4.884 7.915 950 HD23 LEU 41 HD23 LEU 41 8.710 -4.279 7.854 951 H ASN 42 H ASN 42 9.987 -6.208 10.151 952 HA ASN 42 HA ASN 42 8.300 -4.482 11.724 953 HB2 ASN 42 HB3 ASN 42 11.139 -5.472 11.974 954 HB3 ASN 42 HB2 ASN 42 10.552 -4.115 12.966 955 HD21 ASN 42 HD21 ASN 42 8.319 -4.551 14.021 956 HD22 ASN 42 HD22 ASN 42 8.118 -6.094 14.666 957 H GLU 43 H GLU 43 9.474 -2.447 12.486 958 HA GLU 43 HA GLU 43 9.259 -0.643 10.438 959 HB2 GLU 43 HB3 GLU 43 10.888 -0.261 12.980 960 HB3 GLU 43 HB2 GLU 43 9.990 0.966 12.057 961 HG2 GLU 43 HG3 GLU 43 8.614 0.442 13.942 962 HG3 GLU 43 HG2 GLU 43 7.876 -0.423 12.573 963 H GLU 44 H GLU 44 12.092 -2.481 11.521 964 HA GLU 44 HA GLU 44 14.050 -0.861 10.378 965 HB2 GLU 44 HB3 GLU 44 14.510 -2.797 11.858 966 HB3 GLU 44 HB2 GLU 44 13.861 -3.900 10.620 967 HG2 GLU 44 HG3 GLU 44 15.607 -3.178 9.036 968 HG3 GLU 44 HG2 GLU 44 16.231 -2.017 10.234 969 H GLN 45 H GLN 45 12.009 -3.504 8.981 970 HA GLN 45 HA GLN 45 13.385 -3.266 6.509 971 HB2 GLN 45 HB3 GLN 45 10.734 -4.576 7.248 972 HB3 GLN 45 HB2 GLN 45 11.612 -4.808 5.719 973 HG2 GLN 45 HG3 GLN 45 12.687 -5.466 8.493 974 HG3 GLN 45 HG2 GLN 45 12.077 -6.653 7.317 975 HE21 GLN 45 HE21 GLN 45 13.197 -6.192 4.967 976 HE22 GLN 45 HE22 GLN 45 14.867 -6.052 5.076 977 H ILE 46 H ILE 46 10.974 -1.335 8.032 978 HA ILE 46 HA ILE 46 9.702 -0.582 5.569 979 HB ILE 46 HB ILE 46 9.792 0.782 8.303 980 HG12 ILE 46 HG13 ILE 46 8.730 -1.481 8.364 981 HG13 ILE 46 HG12 ILE 46 7.551 -0.176 8.639 982 HG21 ILE 46 HG21 ILE 46 7.950 1.160 5.902 983 HG22 ILE 46 HG22 ILE 46 7.839 2.026 7.453 984 HG23 ILE 46 HG23 ILE 46 9.249 2.271 6.393 985 HD11 ILE 46 HD11 ILE 46 6.661 -1.839 7.048 986 HD12 ILE 46 HD12 ILE 46 6.900 -0.269 6.245 987 HD13 ILE 46 HD13 ILE 46 8.069 -1.589 5.987 988 H GLU 47 H GLU 47 12.225 0.652 7.814 989 HA GLU 47 HA GLU 47 12.657 2.962 6.242 990 HB2 GLU 47 HB3 GLU 47 14.326 1.544 8.364 991 HB3 GLU 47 HB2 GLU 47 14.715 3.139 7.675 992 HG2 GLU 47 HG3 GLU 47 12.571 4.040 8.455 993 HG3 GLU 47 HG2 GLU 47 12.099 2.443 9.082 994 H ARG 48 H ARG 48 13.844 -0.382 6.050 995 HA ARG 48 HA ARG 48 16.070 0.419 4.436 996 HB2 ARG 48 HB3 ARG 48 14.833 -2.145 5.346 997 HB3 ARG 48 HB2 ARG 48 15.670 -2.178 3.777 998 HG2 ARG 48 HG3 ARG 48 17.247 -2.722 5.577 999 HG3 ARG 48 HG2 ARG 48 17.684 -1.183 4.804 1000 HD2 ARG 48 HD3 ARG 48 16.618 0.060 6.662 1001 HD3 ARG 48 HD2 ARG 48 16.139 -1.482 7.414 1002 HE ARG 48 HE ARG 48 18.860 -1.578 6.991 1003 HH11 ARG 48 HH11 ARG 48 16.485 0.236 8.777 1004 HH12 ARG 48 HH12 ARG 48 17.492 0.564 10.081 1005 HH21 ARG 48 HH21 ARG 48 20.247 -1.126 8.792 1006 HH22 ARG 48 HH22 ARG 48 19.674 -0.225 10.090 1007 H TRP 49 H TRP 49 12.710 -0.777 3.863 1008 HA TRP 49 HA TRP 49 12.957 -0.806 1.077 1009 HB2 TRP 49 HB3 TRP 49 10.961 -1.722 2.180 1010 HB3 TRP 49 HB2 TRP 49 10.600 -0.126 2.887 1011 HD1 TRP 49 HD1 TRP 49 10.724 -1.815 -0.608 1012 HE1 TRP 49 HE1 TRP 49 9.372 -0.427 -2.195 1013 HE3 TRP 49 HE3 TRP 49 9.615 1.899 2.502 1014 HZ2 TRP 49 HZ2 TRP 49 8.061 2.010 -2.104 1015 HZ3 TRP 49 HZ3 TRP 49 8.325 3.783 1.683 1016 HH2 TRP 49 HH2 TRP 49 7.576 3.844 -0.599 1017 H PHE 50 H PHE 50 12.126 1.797 3.384 1018 HA PHE 50 HA PHE 50 11.334 3.657 1.517 1019 HB2 PHE 50 HB3 PHE 50 10.989 3.796 3.983 1020 HB3 PHE 50 HB2 PHE 50 12.732 4.095 4.181 1021 HD1 PHE 50 HD2 PHE 50 9.904 5.333 2.156 1022 HD2 PHE 50 HD1 PHE 50 13.387 6.291 4.248 1023 HE1 PHE 50 HE2 PHE 50 9.529 7.669 1.704 1024 HE2 PHE 50 HE1 PHE 50 13.012 8.628 3.796 1025 HZ PHE 50 HZ PHE 50 11.081 9.318 2.531 1026 H ARG 51 H ARG 51 14.678 3.244 2.939 1027 HA ARG 51 HA ARG 51 15.440 5.384 1.220 1028 HB2 ARG 51 HB3 ARG 51 17.668 5.072 2.092 1029 HB3 ARG 51 HB2 ARG 51 16.487 5.023 3.414 1030 HG2 ARG 51 HG3 ARG 51 17.696 3.191 4.029 1031 HG3 ARG 51 HG2 ARG 51 16.642 2.366 2.856 1032 HD2 ARG 51 HD3 ARG 51 18.345 2.693 1.097 1033 HD3 ARG 51 HD2 ARG 51 19.369 3.602 2.229 1034 HE ARG 51 HE ARG 51 18.666 0.790 2.658 1035 HH11 ARG 51 HH11 ARG 51 20.859 3.489 2.525 1036 HH12 ARG 51 HH12 ARG 51 22.199 2.628 3.059 1037 HH21 ARG 51 HH21 ARG 51 20.521 -0.401 3.400 1038 HH22 ARG 51 HH22 ARG 51 22.003 0.374 3.567 1039 H ARG 52 H ARG 52 15.678 1.779 1.023 1040 HA ARG 52 HA ARG 52 17.311 1.907 -1.253 1041 HB2 ARG 52 HB3 ARG 52 15.274 -0.159 -0.337 1042 HB3 ARG 52 HB2 ARG 52 16.388 -0.402 -1.700 1043 HG2 ARG 52 HG3 ARG 52 17.417 0.375 1.051 1044 HG3 ARG 52 HG2 ARG 52 17.088 -1.319 0.621 1045 HD2 ARG 52 HD3 ARG 52 19.406 -0.932 0.135 1046 HD3 ARG 52 HD2 ARG 52 18.551 -1.015 -1.421 1047 HE ARG 52 HE ARG 52 18.835 1.629 -0.362 1048 HH11 ARG 52 HH11 ARG 52 20.229 -0.974 -2.198 1049 HH12 ARG 52 HH12 ARG 52 21.270 -0.000 -3.087 1050 HH21 ARG 52 HH21 ARG 52 20.273 2.980 -1.593 1051 HH22 ARG 52 HH22 ARG 52 21.294 2.294 -2.738 1052 H LYS 53 H LYS 53 14.016 2.938 -0.939 1053 HA LYS 53 HA LYS 53 13.311 2.101 -3.573 1054 HB2 LYS 53 HB3 LYS 53 11.752 2.553 -1.568 1055 HB3 LYS 53 HB2 LYS 53 11.984 4.277 -1.925 1056 HG2 LYS 53 HG3 LYS 53 9.942 3.355 -3.012 1057 HG3 LYS 53 HG2 LYS 53 11.119 3.895 -4.234 1058 HD2 LYS 53 HD3 LYS 53 11.722 1.707 -4.810 1059 HD3 LYS 53 HD2 LYS 53 11.231 1.055 -3.235 1060 HE2 LYS 53 HE3 LYS 53 9.731 0.348 -5.084 1061 HE3 LYS 53 HE2 LYS 53 8.881 1.228 -3.803 1062 HZ1 LYS 53 HZ1 LYS 53 8.431 1.780 -6.209 1063 HZ2 LYS 53 HZ2 LYS 53 8.611 3.030 -5.127 1064 HZ3 LYS 53 HZ3 LYS 53 9.862 2.641 -6.168 1065 H GLU 54 H GLU 54 14.568 5.074 -2.012 1066 HA GLU 54 HA GLU 54 14.421 6.374 -4.622 1067 HB2 GLU 54 HB3 GLU 54 15.236 7.458 -1.889 1068 HB3 GLU 54 HB2 GLU 54 14.794 8.399 -3.332 1069 HG2 GLU 54 HG3 GLU 54 12.494 7.477 -3.222 1070 HG3 GLU 54 HG2 GLU 54 12.941 6.549 -1.770 1071 H GLN 55 H GLN 55 16.745 5.512 -2.028 1072 HA GLN 55 HA GLN 55 18.878 6.893 -3.141 1073 HB2 GLN 55 HB3 GLN 55 18.794 4.445 -1.329 1074 HB3 GLN 55 HB2 GLN 55 20.252 5.402 -1.672 1075 HG2 GLN 55 HG3 GLN 55 17.694 6.535 -0.476 1076 HG3 GLN 55 HG2 GLN 55 19.123 6.072 0.479 1077 HE21 GLN 55 HE21 GLN 55 18.290 8.738 0.574 1078 HE22 GLN 55 HE22 GLN 55 19.405 9.673 -0.266 1079 H GLN 56 H GLN 56 17.373 4.061 -4.396 1080 HA GLN 56 HA GLN 56 19.582 2.604 -5.161 1081 HB2 GLN 56 HB3 GLN 56 17.226 1.864 -5.371 1082 HB3 GLN 56 HB2 GLN 56 16.958 3.079 -6.642 1083 HG2 GLN 56 HG3 GLN 56 17.411 0.865 -7.631 1084 HG3 GLN 56 HG2 GLN 56 18.724 1.998 -8.028 1085 HE21 GLN 56 HE21 GLN 56 20.706 0.988 -7.849 1086 HE22 GLN 56 HE22 GLN 56 21.085 -0.145 -6.667 1087 H ILE 57 H ILE 57 18.238 5.618 -6.613 1088 HA ILE 57 HA ILE 57 20.474 5.328 -8.503 1089 HB ILE 57 HB ILE 57 19.033 6.413 -10.177 1090 HG12 ILE 57 HG13 ILE 57 16.536 6.577 -9.498 1091 HG13 ILE 57 HG12 ILE 57 17.125 6.562 -7.820 1092 HG21 ILE 57 HG21 ILE 57 18.942 3.928 -9.910 1093 HG22 ILE 57 HG22 ILE 57 17.576 4.123 -8.784 1094 HG23 ILE 57 HG23 ILE 57 17.401 4.607 -10.487 1095 HD11 ILE 57 HD11 ILE 57 18.597 8.522 -8.373 1096 HD12 ILE 57 HD12 ILE 57 17.929 8.524 -10.018 1097 HD13 ILE 57 HD13 ILE 57 16.879 8.880 -8.627 1098 H GLY 58 H GLY 58 19.787 7.099 -5.798 1099 HA2 GLY 58 HA3 GLY 58 21.253 9.105 -5.730 1100 HA3 GLY 58 HA2 GLY 58 20.488 9.532 -7.273 1101 H TRP 59 H TRP 59 18.201 8.094 -5.170 1102 HA TRP 59 HA TRP 59 16.715 8.887 -3.725 1103 HB2 TRP 59 HB3 TRP 59 18.578 9.974 -2.567 1104 HB3 TRP 59 HB2 TRP 59 18.426 11.383 -3.639 1105 HD1 TRP 59 HD1 TRP 59 16.258 9.514 -1.037 1106 HE1 TRP 59 HE1 TRP 59 14.668 11.175 -0.042 1107 HE3 TRP 59 HE3 TRP 59 17.441 13.396 -3.909 1108 HZ2 TRP 59 HZ2 TRP 59 14.031 13.831 -0.461 1109 HZ3 TRP 59 HZ3 TRP 59 16.298 15.509 -3.564 1110 HH2 TRP 59 HH2 TRP 59 14.617 15.721 -1.862 1111 H SER 60 H SER 60 16.584 9.730 -6.856 1112 HA SER 60 HA SER 60 14.860 11.989 -6.257 1113 HB2 SER 60 HB3 SER 60 14.662 12.363 -8.618 1114 HB3 SER 60 HB2 SER 60 16.385 12.104 -8.261 1115 HG SER 60 HG SER 60 15.644 10.979 -10.081 1116 H HIS 61 H HIS 61 14.606 8.651 -6.326 1117 HA HIS 61 HA HIS 61 12.879 7.275 -6.249 1118 HB2 HIS 61 HB3 HIS 61 12.058 8.982 -4.630 1119 HB3 HIS 61 HB2 HIS 61 11.230 9.814 -5.966 1120 HD1 HIS 61 HD1 HIS 61 11.263 6.222 -4.669 1121 HD2 HIS 61 HD2 HIS 61 8.788 9.090 -6.220 1122 HE1 HIS 61 HE1 HIS 61 8.950 5.268 -4.722 1123 HE2 HIS 61 HE2 HIS 61 7.453 7.035 -5.670 1124 HA PRO 62 HA PRO 62 11.114 8.269 -10.368 1125 HB2 PRO 62 HB3 PRO 62 12.823 7.239 -12.191 1126 HB3 PRO 62 HB2 PRO 62 13.203 8.819 -11.424 1127 HG2 PRO 62 HG3 PRO 62 14.224 6.061 -10.658 1128 HG3 PRO 62 HG2 PRO 62 15.173 7.561 -10.897 1129 HD2 PRO 62 HD3 PRO 62 14.290 6.672 -8.409 1130 HD3 PRO 62 HD2 PRO 62 14.554 8.400 -8.808 1131 H GLN 63 H GLN 63 12.020 5.659 -8.516 1132 HA GLN 63 HA GLN 63 11.032 3.789 -10.527 1133 HB2 GLN 63 HB3 GLN 63 12.524 3.372 -7.895 1134 HB3 GLN 63 HB2 GLN 63 11.941 2.070 -8.957 1135 HG2 GLN 63 HG3 GLN 63 13.312 3.078 -10.827 1136 HG3 GLN 63 HG2 GLN 63 13.996 4.210 -9.635 1137 HE21 GLN 63 HE21 GLN 63 13.346 1.363 -7.970 1138 HE22 GLN 63 HE22 GLN 63 14.864 0.660 -8.123 1139 H PHE 64 H PHE 64 9.009 3.006 -10.295 1140 HA PHE 64 HA PHE 64 7.796 3.316 -7.640 1141 HB2 PHE 64 HB3 PHE 64 6.526 3.406 -10.422 1142 HB3 PHE 64 HB2 PHE 64 5.643 3.438 -8.878 1143 HD1 PHE 64 HD1 PHE 64 8.259 5.249 -10.746 1144 HD2 PHE 64 HD2 PHE 64 5.316 5.418 -7.791 1145 HE1 PHE 64 HE1 PHE 64 8.560 7.634 -10.583 1146 HE2 PHE 64 HE2 PHE 64 5.608 7.805 -7.638 1147 HZ PHE 64 HZ PHE 64 7.233 8.913 -9.030 1148 H GLU 65 H GLU 65 7.663 1.404 -10.705 1149 HA GLU 65 HA GLU 65 6.825 -0.851 -9.064 1150 HB2 GLU 65 HB3 GLU 65 6.267 -1.908 -11.206 1151 HB3 GLU 65 HB2 GLU 65 5.545 -0.281 -11.163 1152 HG2 GLU 65 HG3 GLU 65 7.484 0.599 -12.443 1153 HG3 GLU 65 HG2 GLU 65 8.185 -1.035 -12.500 1154 H LYS 66 H LYS 66 9.706 0.535 -10.005 1155 HA LYS 66 HA LYS 66 10.867 -2.043 -10.684 1156 HB2 LYS 66 HB3 LYS 66 12.043 0.773 -10.621 1157 HB3 LYS 66 HB2 LYS 66 12.904 -0.691 -11.149 1158 HG2 LYS 66 HG3 LYS 66 10.327 0.358 -12.400 1159 HG3 LYS 66 HG2 LYS 66 11.957 0.619 -13.064 1160 HD2 LYS 66 HD3 LYS 66 10.696 -2.112 -12.552 1161 HD3 LYS 66 HD2 LYS 66 10.806 -1.317 -14.141 1162 HE2 LYS 66 HE3 LYS 66 13.174 -2.053 -12.363 1163 HE3 LYS 66 HE2 LYS 66 12.658 -2.938 -13.818 1164 HZ1 LYS 66 HZ1 LYS 66 14.414 -1.403 -14.299 1165 HZ2 LYS 66 HZ2 LYS 66 13.015 -0.942 -15.083 1166 HZ3 LYS 66 HZ3 LYS 66 13.514 -0.125 -13.716 Start of MODEL 2 1 H1 MET 1 H1 MET 1 -9.260 -15.209 7.087 2 H2 MET 1 H2 MET 1 -8.008 -14.678 8.054 3 H3 MET 1 H3 MET 1 -7.695 -15.697 6.770 4 HA MET 1 HA MET 1 -8.385 -14.024 5.207 5 HB2 MET 1 HB3 MET 1 -8.896 -11.776 6.053 6 HB3 MET 1 HB2 MET 1 -10.013 -12.961 6.763 7 HG2 MET 1 HG3 MET 1 -8.587 -13.058 8.806 8 HG3 MET 1 HG2 MET 1 -7.514 -11.828 8.095 9 HE1 MET 1 HE1 MET 1 -8.683 -11.650 10.800 10 HE2 MET 1 HE2 MET 1 -7.659 -10.428 10.008 11 HE3 MET 1 HE3 MET 1 -9.138 -9.931 10.864 12 H GLU 2 H GLU 2 -6.505 -13.232 4.254 13 HA GLU 2 HA GLU 2 -4.476 -11.983 5.772 14 HB2 GLU 2 HB3 GLU 2 -4.125 -14.269 6.602 15 HB3 GLU 2 HB2 GLU 2 -4.154 -14.903 4.946 16 HG2 GLU 2 HG3 GLU 2 -1.859 -14.755 5.778 17 HG3 GLU 2 HG2 GLU 2 -2.089 -13.636 4.419 18 H LYS 3 H LYS 3 -4.604 -14.282 2.972 19 HA LYS 3 HA LYS 3 -3.334 -12.107 1.496 20 HB2 LYS 3 HB3 LYS 3 -2.475 -13.893 0.003 21 HB3 LYS 3 HB2 LYS 3 -1.976 -14.179 1.689 22 HG2 LYS 3 HG3 LYS 3 -3.866 -15.742 1.992 23 HG3 LYS 3 HG2 LYS 3 -4.393 -15.448 0.318 24 HD2 LYS 3 HD3 LYS 3 -1.663 -16.565 1.106 25 HD3 LYS 3 HD2 LYS 3 -3.044 -17.548 0.560 26 HE2 LYS 3 HE3 LYS 3 -3.109 -16.227 -1.562 27 HE3 LYS 3 HE2 LYS 3 -1.659 -15.342 -1.030 28 HZ1 LYS 3 HZ1 LYS 3 -0.499 -17.423 -0.923 29 HZ2 LYS 3 HZ2 LYS 3 -1.861 -18.253 -1.414 30 HZ3 LYS 3 HZ3 LYS 3 -1.118 -17.180 -2.454 31 H ARG 4 H ARG 4 -3.811 -12.220 -0.886 32 HA ARG 4 HA ARG 4 -6.501 -11.823 -1.401 33 HB2 ARG 4 HB3 ARG 4 -4.596 -10.869 -2.647 34 HB3 ARG 4 HB2 ARG 4 -4.062 -12.494 -3.109 35 HG2 ARG 4 HG3 ARG 4 -6.198 -12.791 -4.388 36 HG3 ARG 4 HG2 ARG 4 -6.604 -11.092 -4.021 37 HD2 ARG 4 HD3 ARG 4 -5.470 -11.278 -6.225 38 HD3 ARG 4 HD2 ARG 4 -4.461 -10.369 -5.076 39 HE ARG 4 HE ARG 4 -4.062 -13.222 -5.613 40 HH11 ARG 4 HH11 ARG 4 -2.913 -9.930 -5.247 41 HH12 ARG 4 HH12 ARG 4 -1.293 -10.347 -5.361 42 HH21 ARG 4 HH21 ARG 4 -1.801 -13.735 -5.791 43 HH22 ARG 4 HH22 ARG 4 -0.653 -12.507 -5.704 44 HA PRO 5 HA PRO 5 -7.128 -16.256 -1.850 45 HB2 PRO 5 HB3 PRO 5 -9.869 -16.307 -1.735 46 HB3 PRO 5 HB2 PRO 5 -8.834 -16.100 -0.288 47 HG2 PRO 5 HG3 PRO 5 -10.276 -13.967 -1.884 48 HG3 PRO 5 HG2 PRO 5 -10.153 -14.149 -0.111 49 HD2 PRO 5 HD3 PRO 5 -8.533 -12.467 -1.619 50 HD3 PRO 5 HD2 PRO 5 -8.028 -13.192 -0.062 51 H ARG 6 H ARG 6 -10.000 -14.857 -3.394 52 HA ARG 6 HA ARG 6 -8.864 -15.863 -5.906 53 HB2 ARG 6 HB3 ARG 6 -11.739 -15.445 -4.952 54 HB3 ARG 6 HB2 ARG 6 -11.294 -15.717 -6.648 55 HG2 ARG 6 HG3 ARG 6 -11.884 -17.858 -5.870 56 HG3 ARG 6 HG2 ARG 6 -10.106 -17.862 -5.826 57 HD2 ARG 6 HD3 ARG 6 -10.153 -17.367 -3.417 58 HD3 ARG 6 HD2 ARG 6 -11.925 -17.228 -3.456 59 HE ARG 6 HE ARG 6 -11.031 -19.734 -4.421 60 HH11 ARG 6 HH11 ARG 6 -11.583 -17.777 -1.596 61 HH12 ARG 6 HH12 ARG 6 -11.830 -19.073 -0.555 62 HH21 ARG 6 HH21 ARG 6 -11.373 -21.526 -2.977 63 HH22 ARG 6 HH22 ARG 6 -11.710 -21.244 -1.356 64 H THR 7 H THR 7 -7.690 -13.722 -6.059 65 HA THR 7 HA THR 7 -7.525 -11.528 -6.484 66 HB THR 7 HB THR 7 -8.904 -10.775 -8.376 67 HG1 THR 7 HG1 THR 7 -10.811 -11.795 -7.629 68 HG21 THR 7 HG21 THR 7 -8.026 -13.688 -8.611 69 HG22 THR 7 HG22 THR 7 -8.251 -12.553 -9.962 70 HG23 THR 7 HG23 THR 7 -6.960 -12.272 -8.769 71 H GLU 8 H GLU 8 -8.724 -11.775 -4.027 72 HA GLU 8 HA GLU 8 -10.717 -9.638 -4.232 73 HB2 GLU 8 HB3 GLU 8 -10.544 -11.922 -2.229 74 HB3 GLU 8 HB2 GLU 8 -11.562 -10.483 -2.009 75 HG2 GLU 8 HG3 GLU 8 -12.775 -10.981 -4.085 76 HG3 GLU 8 HG2 GLU 8 -11.735 -12.394 -4.372 77 H PHE 9 H PHE 9 -9.887 -7.773 -3.410 78 HA PHE 9 HA PHE 9 -7.435 -7.651 -2.155 79 HB2 PHE 9 HB3 PHE 9 -8.279 -5.385 -1.391 80 HB3 PHE 9 HB2 PHE 9 -8.426 -5.694 -3.134 81 HD1 PHE 9 HD1 PHE 9 -10.765 -7.698 -1.589 82 HD2 PHE 9 HD2 PHE 9 -10.066 -3.701 -2.558 83 HE1 PHE 9 HE1 PHE 9 -13.131 -7.279 -1.550 84 HE2 PHE 9 HE2 PHE 9 -12.438 -3.282 -2.522 85 HZ PHE 9 HZ PHE 9 -13.972 -5.070 -2.022 86 H SER 10 H SER 10 -6.800 -8.229 -0.162 87 HA SER 10 HA SER 10 -8.880 -8.477 1.885 88 HB2 SER 10 HB3 SER 10 -6.418 -10.211 1.368 89 HB3 SER 10 HB2 SER 10 -7.534 -10.392 2.745 90 HG SER 10 HG SER 10 -8.213 -10.514 -0.013 91 H GLU 11 H GLU 11 -7.390 -8.616 4.130 92 HA GLU 11 HA GLU 11 -6.673 -6.199 4.830 93 HB2 GLU 11 HB3 GLU 11 -5.158 -8.757 5.488 94 HB3 GLU 11 HB2 GLU 11 -5.031 -7.233 6.395 95 HG2 GLU 11 HG3 GLU 11 -6.620 -8.707 7.515 96 HG3 GLU 11 HG2 GLU 11 -7.504 -7.323 6.827 97 H GLU 12 H GLU 12 -4.317 -8.422 3.235 98 HA GLU 12 HA GLU 12 -2.159 -6.688 3.367 99 HB2 GLU 12 HB3 GLU 12 -1.961 -9.057 2.808 100 HB3 GLU 12 HB2 GLU 12 -2.970 -8.829 1.359 101 HG2 GLU 12 HG3 GLU 12 -0.637 -8.857 0.686 102 HG3 GLU 12 HG2 GLU 12 -1.278 -7.213 0.479 103 H GLN 13 H GLN 13 -4.640 -7.084 0.762 104 HA GLN 13 HA GLN 13 -3.337 -5.094 -0.812 105 HB2 GLN 13 HB3 GLN 13 -6.047 -6.477 -0.957 106 HB3 GLN 13 HB2 GLN 13 -5.484 -5.285 -2.144 107 HG2 GLN 13 HG3 GLN 13 -5.049 -7.467 -3.035 108 HG3 GLN 13 HG2 GLN 13 -3.484 -6.753 -2.599 109 HE21 GLN 13 HE21 GLN 13 -2.278 -8.592 -2.080 110 HE22 GLN 13 HE22 GLN 13 -2.761 -9.690 -0.902 111 H LYS 14 H LYS 14 -5.884 -5.124 1.646 112 HA LYS 14 HA LYS 14 -7.204 -2.794 0.918 113 HB2 LYS 14 HB3 LYS 14 -6.627 -4.086 3.616 114 HB3 LYS 14 HB2 LYS 14 -7.757 -2.734 3.390 115 HG2 LYS 14 HG3 LYS 14 -8.013 -5.344 1.852 116 HG3 LYS 14 HG2 LYS 14 -8.790 -5.076 3.430 117 HD2 LYS 14 HD3 LYS 14 -9.928 -3.075 2.501 118 HD3 LYS 14 HD2 LYS 14 -9.207 -3.414 0.909 119 HE2 LYS 14 HE3 LYS 14 -11.521 -4.318 1.077 120 HE3 LYS 14 HE2 LYS 14 -10.325 -5.621 0.877 121 HZ1 LYS 14 HZ1 LYS 14 -11.896 -6.114 2.604 122 HZ2 LYS 14 HZ2 LYS 14 -10.361 -5.948 3.238 123 HZ3 LYS 14 HZ3 LYS 14 -11.480 -4.724 3.430 124 H LYS 15 H LYS 15 -4.365 -3.294 3.092 125 HA LYS 15 HA LYS 15 -4.130 -0.751 4.043 126 HB2 LYS 15 HB3 LYS 15 -1.993 -2.715 3.129 127 HB3 LYS 15 HB2 LYS 15 -1.653 -1.230 4.042 128 HG2 LYS 15 HG3 LYS 15 -3.126 -1.998 5.870 129 HG3 LYS 15 HG2 LYS 15 -3.439 -3.516 4.992 130 HD2 LYS 15 HD3 LYS 15 -0.623 -2.561 5.654 131 HD3 LYS 15 HD2 LYS 15 -1.571 -3.569 6.770 132 HE2 LYS 15 HE3 LYS 15 -0.132 -4.978 5.350 133 HE3 LYS 15 HE2 LYS 15 -1.848 -5.284 4.993 134 HZ1 LYS 15 HZ1 LYS 15 -0.421 -5.000 3.035 135 HZ2 LYS 15 HZ2 LYS 15 -1.687 -3.932 3.089 136 HZ3 LYS 15 HZ3 LYS 15 -0.145 -3.416 3.483 137 H ALA 16 H ALA 16 -2.820 -2.009 0.917 138 HA ALA 16 HA ALA 16 -1.425 0.259 0.251 139 HB1 ALA 16 HB1 ALA 16 -1.707 -0.555 -2.076 140 HB2 ALA 16 HB2 ALA 16 -1.317 -1.889 -0.965 141 HB3 ALA 16 HB3 ALA 16 -2.989 -1.660 -1.529 142 H LEU 17 H LEU 17 -4.976 -0.381 -0.179 143 HA LEU 17 HA LEU 17 -5.146 1.981 -1.772 144 HB2 LEU 17 HB3 LEU 17 -7.100 0.050 -0.509 145 HB3 LEU 17 HB2 LEU 17 -7.677 1.587 -1.197 146 HG LEU 17 HG LEU 17 -6.810 1.047 -3.378 147 HD11 LEU 17 HD11 LEU 17 -5.555 -1.390 -2.044 148 HD12 LEU 17 HD12 LEU 17 -5.563 -1.066 -3.794 149 HD13 LEU 17 HD13 LEU 17 -4.683 0.019 -2.695 150 HD21 LEU 17 HD21 LEU 17 -7.951 -1.159 -3.820 151 HD22 LEU 17 HD22 LEU 17 -8.131 -1.368 -2.064 152 HD23 LEU 17 HD23 LEU 17 -8.946 -0.016 -2.889 153 H ASP 18 H ASP 18 -5.113 1.325 1.683 154 HA ASP 18 HA ASP 18 -6.486 3.731 2.362 155 HB2 ASP 18 HB3 ASP 18 -6.152 1.768 3.923 156 HB3 ASP 18 HB2 ASP 18 -4.414 2.142 3.943 157 H LEU 19 H LEU 19 -3.121 2.670 1.881 158 HA LEU 19 HA LEU 19 -1.913 5.075 2.686 159 HB2 LEU 19 HB3 LEU 19 -1.226 2.591 1.120 160 HB3 LEU 19 HB2 LEU 19 -0.113 3.976 1.046 161 HG LEU 19 HG LEU 19 0.323 3.925 3.363 162 HD11 LEU 19 HD11 LEU 19 -2.061 2.052 3.662 163 HD12 LEU 19 HD12 LEU 19 -1.007 2.623 4.971 164 HD13 LEU 19 HD13 LEU 19 -2.042 3.777 4.094 165 HD21 LEU 19 HD21 LEU 19 0.940 1.574 3.834 166 HD22 LEU 19 HD22 LEU 19 -0.143 1.021 2.534 167 HD23 LEU 19 HD23 LEU 19 1.299 1.984 2.143 168 H ALA 20 H ALA 20 -3.092 3.865 -0.503 169 HA ALA 20 HA ALA 20 -1.909 6.069 -1.854 170 HB1 ALA 20 HB1 ALA 20 -2.406 3.910 -2.974 171 HB2 ALA 20 HB2 ALA 20 -4.141 4.157 -2.674 172 HB3 ALA 20 HB3 ALA 20 -3.259 5.258 -3.759 173 H PHE 21 H PHE 21 -5.283 5.168 -1.062 174 HA PHE 21 HA PHE 21 -7.152 6.407 -1.551 175 HB2 PHE 21 HB3 PHE 21 -6.575 6.250 0.881 176 HB3 PHE 21 HB2 PHE 21 -5.784 7.833 0.753 177 HD1 PHE 21 HD1 PHE 21 -9.000 6.272 -0.199 178 HD2 PHE 21 HD2 PHE 21 -7.070 9.584 1.450 179 HE1 PHE 21 HE1 PHE 21 -11.130 7.346 0.143 180 HE2 PHE 21 HE2 PHE 21 -9.197 10.661 1.786 181 HZ PHE 21 HZ PHE 21 -11.224 9.551 1.115 182 H TYR 22 H TYR 22 -6.205 9.452 -0.369 183 HA TYR 22 HA TYR 22 -5.927 10.327 -3.142 184 HB2 TYR 22 HB3 TYR 22 -7.993 11.096 -1.863 185 HB3 TYR 22 HB2 TYR 22 -6.892 11.963 -0.763 186 HD1 TYR 22 HD1 TYR 22 -7.303 11.452 -4.407 187 HD2 TYR 22 HD2 TYR 22 -6.523 14.153 -1.320 188 HE1 TYR 22 HE1 TYR 22 -7.159 13.244 -6.012 189 HE2 TYR 22 HE2 TYR 22 -6.367 15.942 -2.928 190 HH TYR 22 HH TYR 22 -6.804 15.551 -6.445 191 H PHE 23 H PHE 23 -4.000 9.450 -0.772 192 HA PHE 23 HA PHE 23 -2.673 11.900 -0.162 193 HB2 PHE 23 HB3 PHE 23 -1.927 8.957 0.180 194 HB3 PHE 23 HB2 PHE 23 -1.054 10.327 0.911 195 HD1 PHE 23 HD1 PHE 23 -2.761 12.049 2.051 196 HD2 PHE 23 HD2 PHE 23 -3.455 7.966 1.537 197 HE1 PHE 23 HE1 PHE 23 -4.393 12.101 3.825 198 HE2 PHE 23 HE2 PHE 23 -5.077 8.015 3.317 199 HZ PHE 23 HZ PHE 23 -5.555 10.086 4.455 200 H ASP 24 H ASP 24 -2.184 9.137 -2.424 201 HA ASP 24 HA ASP 24 -0.020 10.766 -3.528 202 HB2 ASP 24 HB3 ASP 24 0.544 8.389 -2.931 203 HB3 ASP 24 HB2 ASP 24 -0.674 7.841 -4.109 204 H ARG 25 H ARG 25 -3.282 10.253 -3.845 205 HA ARG 25 HA ARG 25 -4.737 10.797 -5.461 206 HB2 ARG 25 HB3 ARG 25 -2.272 11.765 -6.976 207 HB3 ARG 25 HB2 ARG 25 -3.965 12.110 -7.366 208 HG2 ARG 25 HG3 ARG 25 -4.246 13.202 -5.142 209 HG3 ARG 25 HG2 ARG 25 -2.519 12.928 -4.809 210 HD2 ARG 25 HD3 ARG 25 -3.638 14.505 -7.172 211 HD3 ARG 25 HD2 ARG 25 -2.930 15.219 -5.703 212 HE ARG 25 HE ARG 25 -1.091 13.435 -6.726 213 HH11 ARG 25 HH11 ARG 25 -2.741 16.365 -7.628 214 HH12 ARG 25 HH12 ARG 25 -1.490 16.957 -8.580 215 HH21 ARG 25 HH21 ARG 25 0.632 14.253 -8.041 216 HH22 ARG 25 HH22 ARG 25 0.467 15.732 -8.819 217 H ARG 26 H ARG 26 -2.798 8.230 -5.527 218 HA ARG 26 HA ARG 26 -2.777 7.625 -8.295 219 HB2 ARG 26 HB3 ARG 26 -1.156 6.907 -6.467 220 HB3 ARG 26 HB2 ARG 26 -2.414 5.794 -5.884 221 HG2 ARG 26 HG3 ARG 26 -2.414 4.617 -8.026 222 HG3 ARG 26 HG2 ARG 26 -1.338 5.850 -8.730 223 HD2 ARG 26 HD3 ARG 26 -0.640 3.926 -6.474 224 HD3 ARG 26 HD2 ARG 26 -0.002 3.893 -8.136 225 HE ARG 26 HE ARG 26 0.407 6.383 -6.793 226 HH11 ARG 26 HH11 ARG 26 1.595 3.136 -7.323 227 HH12 ARG 26 HH12 ARG 26 3.157 3.492 -6.804 228 HH21 ARG 26 HH21 ARG 26 2.550 6.830 -6.124 229 HH22 ARG 26 HH22 ARG 26 3.708 5.600 -6.117 230 H LEU 27 H LEU 27 -5.386 8.146 -8.144 231 HA LEU 27 HA LEU 27 -6.525 5.470 -7.992 232 HB2 LEU 27 HB3 LEU 27 -7.040 6.890 -5.953 233 HB3 LEU 27 HB2 LEU 27 -7.909 8.010 -7.023 234 HG LEU 27 HG LEU 27 -9.312 6.234 -5.823 235 HD11 LEU 27 HD11 LEU 27 -10.098 7.470 -7.838 236 HD12 LEU 27 HD12 LEU 27 -9.406 6.188 -8.862 237 HD13 LEU 27 HD13 LEU 27 -10.742 5.813 -7.752 238 HD21 LEU 27 HD21 LEU 27 -9.304 3.973 -6.823 239 HD22 LEU 27 HD22 LEU 27 -7.952 4.442 -7.880 240 HD23 LEU 27 HD23 LEU 27 -7.717 4.362 -6.117 241 H THR 28 H THR 28 -5.617 6.540 -10.403 242 HA THR 28 HA THR 28 -8.153 7.447 -11.550 243 HB THR 28 HB THR 28 -6.799 8.699 -13.207 244 HG1 THR 28 HG1 THR 28 -4.662 7.769 -11.602 245 HG21 THR 28 HG21 THR 28 -5.880 10.407 -11.684 246 HG22 THR 28 HG22 THR 28 -7.447 9.816 -11.085 247 HG23 THR 28 HG23 THR 28 -5.937 9.250 -10.334 248 HA PRO 29 HA PRO 29 -8.320 4.002 -14.085 249 HB2 PRO 29 HB3 PRO 29 -7.668 5.752 -16.468 250 HB3 PRO 29 HB2 PRO 29 -8.906 4.460 -16.333 251 HG2 PRO 29 HG3 PRO 29 -9.658 7.030 -16.041 252 HG3 PRO 29 HG2 PRO 29 -10.261 5.803 -14.878 253 HD2 PRO 29 HD3 PRO 29 -8.034 7.814 -14.512 254 HD3 PRO 29 HD2 PRO 29 -9.273 7.266 -13.336 255 H GLU 30 H GLU 30 -5.518 5.948 -15.285 256 HA GLU 30 HA GLU 30 -4.400 3.466 -16.146 257 HB2 GLU 30 HB3 GLU 30 -3.256 6.278 -15.941 258 HB3 GLU 30 HB2 GLU 30 -2.387 4.888 -16.638 259 HG2 GLU 30 HG3 GLU 30 -4.168 4.595 -18.316 260 HG3 GLU 30 HG2 GLU 30 -5.088 5.940 -17.598 261 H TRP 31 H TRP 31 -4.620 4.959 -13.065 262 HA TRP 31 HA TRP 31 -2.209 3.490 -12.369 263 HB2 TRP 31 HB3 TRP 31 -3.516 5.912 -11.137 264 HB3 TRP 31 HB2 TRP 31 -2.566 4.786 -10.137 265 HD1 TRP 31 HD1 TRP 31 0.015 4.835 -10.378 266 HE1 TRP 31 HE1 TRP 31 1.662 6.147 -11.730 267 HE3 TRP 31 HE3 TRP 31 -3.212 7.009 -13.470 268 HZ2 TRP 31 HZ2 TRP 31 1.556 7.902 -13.849 269 HZ3 TRP 31 HZ3 TRP 31 -2.375 8.528 -15.166 270 HH2 TRP 31 HH2 TRP 31 -0.019 8.966 -15.354 271 H ARG 32 H ARG 32 -5.543 3.163 -12.471 272 HA ARG 32 HA ARG 32 -5.708 1.602 -10.050 273 HB2 ARG 32 HB3 ARG 32 -7.430 1.823 -12.567 274 HB3 ARG 32 HB2 ARG 32 -7.817 0.754 -11.197 275 HG2 ARG 32 HG3 ARG 32 -8.061 2.626 -9.697 276 HG3 ARG 32 HG2 ARG 32 -7.380 3.748 -10.890 277 HD2 ARG 32 HD3 ARG 32 -9.319 3.105 -12.429 278 HD3 ARG 32 HD2 ARG 32 -10.050 2.295 -11.022 279 HE ARG 32 HE ARG 32 -9.498 4.727 -10.076 280 HH11 ARG 32 HH11 ARG 32 -11.024 3.545 -12.970 281 HH12 ARG 32 HH12 ARG 32 -12.039 4.869 -13.163 282 HH21 ARG 32 HH21 ARG 32 -10.868 6.576 -10.363 283 HH22 ARG 32 HH22 ARG 32 -11.959 6.625 -11.642 284 H ARG 33 H ARG 33 -5.013 1.352 -13.509 285 HA ARG 33 HA ARG 33 -4.728 -1.438 -13.633 286 HB2 ARG 33 HB3 ARG 33 -4.894 0.115 -15.591 287 HB3 ARG 33 HB2 ARG 33 -3.314 0.806 -15.148 288 HG2 ARG 33 HG3 ARG 33 -2.294 -1.467 -15.384 289 HG3 ARG 33 HG2 ARG 33 -3.871 -2.094 -15.924 290 HD2 ARG 33 HD3 ARG 33 -2.286 0.146 -17.271 291 HD3 ARG 33 HD2 ARG 33 -2.412 -1.532 -17.852 292 HE ARG 33 HE ARG 33 -4.832 -1.092 -18.035 293 HH11 ARG 33 HH11 ARG 33 -2.514 1.503 -17.954 294 HH12 ARG 33 HH12 ARG 33 -3.470 2.590 -18.806 295 HH21 ARG 33 HH21 ARG 33 -6.151 0.409 -19.211 296 HH22 ARG 33 HH22 ARG 33 -5.581 1.955 -19.535 297 H TYR 34 H TYR 34 -2.477 1.266 -12.958 298 HA TYR 34 HA TYR 34 -0.128 -0.108 -12.767 299 HB2 TYR 34 HB3 TYR 34 -0.402 2.348 -12.610 300 HB3 TYR 34 HB2 TYR 34 -1.163 2.172 -11.014 301 HD1 TYR 34 HD1 TYR 34 0.254 0.942 -9.251 302 HD2 TYR 34 HD2 TYR 34 1.840 2.616 -12.729 303 HE1 TYR 34 HE1 TYR 34 2.430 1.008 -8.226 304 HE2 TYR 34 HE2 TYR 34 4.007 2.726 -11.685 305 HH TYR 34 HH TYR 34 4.723 1.582 -8.381 306 H LEU 35 H LEU 35 -2.509 0.512 -10.098 307 HA LEU 35 HA LEU 35 -0.963 -0.961 -8.261 308 HB2 LEU 35 HB3 LEU 35 -3.891 -0.126 -8.343 309 HB3 LEU 35 HB2 LEU 35 -3.119 -0.906 -6.941 310 HG LEU 35 HG LEU 35 -2.136 1.669 -8.243 311 HD11 LEU 35 HD11 LEU 35 -3.688 1.225 -5.655 312 HD12 LEU 35 HD12 LEU 35 -3.029 2.780 -6.218 313 HD13 LEU 35 HD13 LEU 35 -4.328 1.979 -7.135 314 HD21 LEU 35 HD21 LEU 35 -1.369 0.233 -5.664 315 HD22 LEU 35 HD22 LEU 35 -0.381 0.319 -7.141 316 HD23 LEU 35 HD23 LEU 35 -0.720 1.797 -6.209 317 H SER 36 H SER 36 -3.920 -1.840 -10.175 318 HA SER 36 HA SER 36 -4.049 -4.355 -8.997 319 HB2 SER 36 HB3 SER 36 -5.526 -4.936 -10.881 320 HB3 SER 36 HB2 SER 36 -5.957 -3.354 -10.187 321 HG SER 36 HG SER 36 -4.849 -2.366 -11.813 322 H GLN 37 H GLN 37 -1.758 -3.185 -11.302 323 HA GLN 37 HA GLN 37 -1.273 -5.403 -12.842 324 HB2 GLN 37 HB3 GLN 37 -0.122 -3.182 -13.004 325 HB3 GLN 37 HB2 GLN 37 0.711 -3.532 -11.471 326 HG2 GLN 37 HG3 GLN 37 1.699 -5.582 -12.520 327 HG3 GLN 37 HG2 GLN 37 0.945 -5.116 -14.064 328 HE21 GLN 37 HE21 GLN 37 1.660 -2.261 -12.470 329 HE22 GLN 37 HE22 GLN 37 3.182 -1.984 -13.128 330 H ARG 38 H ARG 38 -0.082 -4.624 -9.517 331 HA ARG 38 HA ARG 38 0.657 -7.460 -9.406 332 HB2 ARG 38 HB3 ARG 38 1.904 -5.053 -8.013 333 HB3 ARG 38 HB2 ARG 38 2.352 -6.746 -7.714 334 HG2 ARG 38 HG3 ARG 38 3.048 -6.998 -10.063 335 HG3 ARG 38 HG2 ARG 38 2.551 -5.322 -10.405 336 HD2 ARG 38 HD3 ARG 38 4.184 -4.473 -8.787 337 HD3 ARG 38 HD2 ARG 38 4.665 -6.129 -8.353 338 HE ARG 38 HE ARG 38 5.584 -6.341 -10.543 339 HH11 ARG 38 HH11 ARG 38 4.466 -3.166 -9.638 340 HH12 ARG 38 HH12 ARG 38 5.361 -2.352 -10.805 341 HH21 ARG 38 HH21 ARG 38 6.805 -5.213 -12.157 342 HH22 ARG 38 HH22 ARG 38 6.714 -3.538 -12.263 343 H LEU 39 H LEU 39 -1.682 -5.294 -8.335 344 HA LEU 39 HA LEU 39 -1.574 -6.087 -5.590 345 HB2 LEU 39 HB3 LEU 39 -2.637 -3.932 -6.513 346 HB3 LEU 39 HB2 LEU 39 -3.986 -4.961 -7.057 347 HG LEU 39 HG LEU 39 -4.234 -5.783 -4.700 348 HD11 LEU 39 HD11 LEU 39 -2.979 -4.580 -2.920 349 HD12 LEU 39 HD12 LEU 39 -1.881 -5.445 -4.022 350 HD13 LEU 39 HD13 LEU 39 -2.084 -3.683 -4.169 351 HD21 LEU 39 HD21 LEU 39 -5.117 -3.662 -3.750 352 HD22 LEU 39 HD22 LEU 39 -4.239 -2.743 -4.997 353 HD23 LEU 39 HD23 LEU 39 -5.563 -3.837 -5.463 354 H GLY 40 H GLY 40 -3.437 -7.036 -8.536 355 HA2 GLY 40 HA3 GLY 40 -3.606 -9.405 -8.803 356 HA3 GLY 40 HA2 GLY 40 -3.867 -9.518 -7.057 357 H LEU 41 H LEU 41 -5.796 -6.919 -7.821 358 HA LEU 41 HA LEU 41 -7.865 -8.797 -8.655 359 HB2 LEU 41 HB3 LEU 41 -9.455 -7.453 -7.227 360 HB3 LEU 41 HB2 LEU 41 -8.341 -8.537 -6.373 361 HG LEU 41 HG LEU 41 -8.670 -6.188 -5.394 362 HD11 LEU 41 HD11 LEU 41 -5.838 -7.055 -6.100 363 HD12 LEU 41 HD12 LEU 41 -6.342 -6.081 -4.699 364 HD13 LEU 41 HD13 LEU 41 -6.833 -7.786 -4.818 365 HD21 LEU 41 HD21 LEU 41 -7.267 -4.422 -6.396 366 HD22 LEU 41 HD22 LEU 41 -6.837 -5.509 -7.739 367 HD23 LEU 41 HD23 LEU 41 -8.518 -4.957 -7.539 368 H ASN 42 H ASN 42 -9.940 -7.465 -9.300 369 HA ASN 42 HA ASN 42 -9.107 -6.085 -11.597 370 HB2 ASN 42 HB3 ASN 42 -11.767 -6.540 -10.214 371 HB3 ASN 42 HB2 ASN 42 -11.638 -5.571 -11.701 372 HD21 ASN 42 HD21 ASN 42 -12.344 -6.880 -13.374 373 HD22 ASN 42 HD22 ASN 42 -11.798 -8.450 -13.619 374 H GLU 43 H GLU 43 -9.434 -3.912 -12.158 375 HA GLU 43 HA GLU 43 -8.712 -2.049 -10.269 376 HB2 GLU 43 HB3 GLU 43 -10.201 -1.765 -12.917 377 HB3 GLU 43 HB2 GLU 43 -9.437 -0.421 -12.037 378 HG2 GLU 43 HG3 GLU 43 -7.243 -1.504 -12.216 379 HG3 GLU 43 HG2 GLU 43 -7.979 -2.920 -13.003 380 H GLU 44 H GLU 44 -12.002 -3.182 -11.162 381 HA GLU 44 HA GLU 44 -13.213 -0.908 -10.042 382 HB2 GLU 44 HB3 GLU 44 -15.266 -2.236 -10.111 383 HB3 GLU 44 HB2 GLU 44 -14.349 -2.476 -11.615 384 HG2 GLU 44 HG3 GLU 44 -13.393 -4.577 -10.663 385 HG3 GLU 44 HG2 GLU 44 -14.375 -4.341 -9.198 386 H GLN 45 H GLN 45 -11.628 -3.640 -8.514 387 HA GLN 45 HA GLN 45 -13.260 -3.242 -6.170 388 HB2 GLN 45 HB3 GLN 45 -10.844 -5.028 -6.702 389 HB3 GLN 45 HB2 GLN 45 -11.756 -4.978 -5.171 390 HG2 GLN 45 HG3 GLN 45 -13.837 -5.564 -6.393 391 HG3 GLN 45 HG2 GLN 45 -12.922 -5.617 -7.913 392 HE21 GLN 45 HE21 GLN 45 -10.904 -6.825 -5.460 393 HE22 GLN 45 HE22 GLN 45 -11.232 -8.454 -5.726 394 H ILE 46 H ILE 46 -10.676 -1.687 -7.681 395 HA ILE 46 HA ILE 46 -9.368 -0.885 -5.249 396 HB ILE 46 HB ILE 46 -9.395 0.373 -8.041 397 HG12 ILE 46 HG13 ILE 46 -8.505 -1.963 -8.076 398 HG13 ILE 46 HG12 ILE 46 -7.250 -0.749 -8.419 399 HG21 ILE 46 HG21 ILE 46 -7.469 0.667 -5.697 400 HG22 ILE 46 HG22 ILE 46 -7.333 1.482 -7.273 401 HG23 ILE 46 HG23 ILE 46 -8.690 1.864 -6.185 402 HD11 ILE 46 HD11 ILE 46 -7.759 -2.095 -5.731 403 HD12 ILE 46 HD12 ILE 46 -6.398 -2.418 -6.832 404 HD13 ILE 46 HD13 ILE 46 -6.539 -0.833 -6.035 405 H GLU 47 H GLU 47 -11.676 0.329 -7.677 406 HA GLU 47 HA GLU 47 -12.152 2.793 -6.481 407 HB2 GLU 47 HB3 GLU 47 -13.888 0.987 -8.223 408 HB3 GLU 47 HB2 GLU 47 -14.229 2.700 -7.879 409 HG2 GLU 47 HG3 GLU 47 -12.083 3.357 -8.894 410 HG3 GLU 47 HG2 GLU 47 -11.683 1.648 -9.194 411 H ARG 48 H ARG 48 -13.532 -0.448 -5.747 412 HA ARG 48 HA ARG 48 -15.686 0.736 -4.306 413 HB2 ARG 48 HB3 ARG 48 -14.627 -2.000 -4.809 414 HB3 ARG 48 HB2 ARG 48 -15.423 -1.755 -3.237 415 HG2 ARG 48 HG3 ARG 48 -17.102 -2.457 -4.832 416 HG3 ARG 48 HG2 ARG 48 -17.388 -0.755 -4.411 417 HD2 ARG 48 HD3 ARG 48 -16.263 -0.053 -6.510 418 HD3 ARG 48 HD2 ARG 48 -15.966 -1.766 -6.908 419 HE ARG 48 HE ARG 48 -18.679 -1.404 -6.402 420 HH11 ARG 48 HH11 ARG 48 -16.167 -0.584 -8.666 421 HH12 ARG 48 HH12 ARG 48 -17.185 -0.496 -10.000 422 HH21 ARG 48 HH21 ARG 48 -20.082 -1.293 -8.238 423 HH22 ARG 48 HH22 ARG 48 -19.462 -0.912 -9.752 424 H TRP 49 H TRP 49 -12.504 -0.762 -3.239 425 HA TRP 49 HA TRP 49 -13.274 -0.206 -0.581 426 HB2 TRP 49 HB3 TRP 49 -11.519 -1.890 -1.233 427 HB3 TRP 49 HB2 TRP 49 -10.437 -0.529 -1.616 428 HD1 TRP 49 HD1 TRP 49 -8.950 0.034 0.456 429 HE1 TRP 49 HE1 TRP 49 -9.213 -0.039 2.943 430 HE3 TRP 49 HE3 TRP 49 -13.606 -1.693 0.596 431 HZ2 TRP 49 HZ2 TRP 49 -11.215 -0.729 4.725 432 HZ3 TRP 49 HZ3 TRP 49 -14.675 -2.032 2.748 433 HH2 TRP 49 HH2 TRP 49 -13.492 -1.554 4.784 434 H PHE 50 H PHE 50 -11.758 1.667 -3.132 435 HA PHE 50 HA PHE 50 -10.633 3.679 -1.593 436 HB2 PHE 50 HB3 PHE 50 -10.257 3.430 -4.015 437 HB3 PHE 50 HB2 PHE 50 -11.985 3.717 -4.321 438 HD1 PHE 50 HD1 PHE 50 -9.123 5.326 -2.610 439 HD2 PHE 50 HD2 PHE 50 -12.637 5.823 -4.807 440 HE1 PHE 50 HE1 PHE 50 -8.729 7.702 -2.710 441 HE2 PHE 50 HE2 PHE 50 -12.242 8.198 -4.904 442 HZ PHE 50 HZ PHE 50 -10.285 9.138 -3.855 443 H ARG 51 H ARG 51 -13.991 3.438 -2.991 444 HA ARG 51 HA ARG 51 -14.538 5.929 -1.740 445 HB2 ARG 51 HB3 ARG 51 -16.776 5.723 -2.617 446 HB3 ARG 51 HB2 ARG 51 -15.598 5.282 -3.867 447 HG2 ARG 51 HG3 ARG 51 -17.115 3.565 -4.127 448 HG3 ARG 51 HG2 ARG 51 -16.034 2.820 -2.926 449 HD2 ARG 51 HD3 ARG 51 -17.546 3.570 -1.114 450 HD3 ARG 51 HD2 ARG 51 -18.590 4.382 -2.299 451 HE ARG 51 HE ARG 51 -18.136 1.492 -2.382 452 HH11 ARG 51 HH11 ARG 51 -20.119 4.348 -2.266 453 HH12 ARG 51 HH12 ARG 51 -21.574 3.540 -2.496 454 HH21 ARG 51 HH21 ARG 51 -20.149 0.371 -2.706 455 HH22 ARG 51 HH22 ARG 51 -21.591 1.232 -2.750 456 H ARG 52 H ARG 52 -14.890 2.530 -0.795 457 HA ARG 52 HA ARG 52 -16.761 2.987 1.242 458 HB2 ARG 52 HB3 ARG 52 -14.513 0.983 0.860 459 HB3 ARG 52 HB2 ARG 52 -15.596 0.954 2.273 460 HG2 ARG 52 HG3 ARG 52 -16.576 0.909 -0.614 461 HG3 ARG 52 HG2 ARG 52 -16.355 -0.548 0.386 462 HD2 ARG 52 HD3 ARG 52 -18.128 1.823 1.103 463 HD3 ARG 52 HD2 ARG 52 -18.719 0.287 0.425 464 HE ARG 52 HE ARG 52 -17.217 0.338 2.932 465 HH11 ARG 52 HH11 ARG 52 -20.057 -0.320 1.030 466 HH12 ARG 52 HH12 ARG 52 -20.836 -1.212 2.222 467 HH21 ARG 52 HH21 ARG 52 -18.287 -0.902 4.571 468 HH22 ARG 52 HH22 ARG 52 -19.810 -1.549 4.277 469 H LYS 53 H LYS 53 -13.192 3.189 1.118 470 HA LYS 53 HA LYS 53 -12.747 3.739 3.763 471 HB2 LYS 53 HB3 LYS 53 -11.370 4.371 1.170 472 HB3 LYS 53 HB2 LYS 53 -10.804 5.178 2.649 473 HG2 LYS 53 HG3 LYS 53 -11.227 2.170 2.532 474 HG3 LYS 53 HG2 LYS 53 -9.684 2.939 2.081 475 HD2 LYS 53 HD3 LYS 53 -9.636 4.088 4.298 476 HD3 LYS 53 HD2 LYS 53 -11.100 3.199 4.769 477 HE2 LYS 53 HE3 LYS 53 -9.939 1.081 4.602 478 HE3 LYS 53 HE2 LYS 53 -8.513 1.857 3.873 479 HZ1 LYS 53 HZ1 LYS 53 -8.119 3.008 5.854 480 HZ2 LYS 53 HZ2 LYS 53 -9.534 2.479 6.566 481 HZ3 LYS 53 HZ3 LYS 53 -8.301 1.397 6.248 482 H GLU 54 H GLU 54 -14.585 5.832 1.629 483 HA GLU 54 HA GLU 54 -14.083 7.860 3.665 484 HB2 GLU 54 HB3 GLU 54 -14.102 9.566 1.896 485 HB3 GLU 54 HB2 GLU 54 -12.827 8.362 1.588 486 HG2 GLU 54 HG3 GLU 54 -14.399 7.155 0.060 487 HG3 GLU 54 HG2 GLU 54 -15.582 8.467 0.289 488 H GLN 55 H GLN 55 -16.476 5.858 2.377 489 HA GLN 55 HA GLN 55 -18.325 8.109 2.591 490 HB2 GLN 55 HB3 GLN 55 -19.925 6.791 1.330 491 HB3 GLN 55 HB2 GLN 55 -18.381 6.860 0.453 492 HG2 GLN 55 HG3 GLN 55 -18.998 4.604 0.284 493 HG3 GLN 55 HG2 GLN 55 -17.850 4.599 1.644 494 HE21 GLN 55 HE21 GLN 55 -18.633 3.205 3.221 495 HE22 GLN 55 HE22 GLN 55 -20.250 3.101 3.663 496 H GLN 56 H GLN 56 -17.088 5.624 4.448 497 HA GLN 56 HA GLN 56 -19.357 4.537 5.591 498 HB2 GLN 56 HB3 GLN 56 -17.058 3.690 5.958 499 HB3 GLN 56 HB2 GLN 56 -16.674 5.170 6.871 500 HG2 GLN 56 HG3 GLN 56 -17.247 3.516 8.511 501 HG3 GLN 56 HG2 GLN 56 -18.659 4.593 8.385 502 HE21 GLN 56 HE21 GLN 56 -17.837 1.375 8.579 503 HE22 GLN 56 HE22 GLN 56 -19.151 0.730 7.753 504 H ILE 57 H ILE 57 -17.450 7.417 6.806 505 HA ILE 57 HA ILE 57 -19.919 7.924 8.300 506 HB ILE 57 HB ILE 57 -18.451 9.005 10.002 507 HG12 ILE 57 HG13 ILE 57 -15.988 8.284 9.854 508 HG13 ILE 57 HG12 ILE 57 -16.296 7.946 8.134 509 HG21 ILE 57 HG21 ILE 57 -17.681 6.127 9.372 510 HG22 ILE 57 HG22 ILE 57 -17.623 6.922 10.960 511 HG23 ILE 57 HG23 ILE 57 -19.192 6.615 10.179 512 HD11 ILE 57 HD11 ILE 57 -15.391 10.216 8.419 513 HD12 ILE 57 HD12 ILE 57 -17.065 10.314 7.849 514 HD13 ILE 57 HD13 ILE 57 -16.694 10.618 9.561 515 H GLY 58 H GLY 58 -18.541 9.213 5.575 516 HA2 GLY 58 HA3 GLY 58 -19.747 11.282 5.094 517 HA3 GLY 58 HA2 GLY 58 -19.224 11.849 6.684 518 H TRP 59 H TRP 59 -17.144 10.196 4.248 519 HA TRP 59 HA TRP 59 -15.543 10.996 2.931 520 HB2 TRP 59 HB3 TRP 59 -17.349 12.564 2.248 521 HB3 TRP 59 HB2 TRP 59 -16.781 13.706 3.488 522 HD1 TRP 59 HD1 TRP 59 -15.422 11.949 0.331 523 HE1 TRP 59 HE1 TRP 59 -13.662 13.410 -0.687 524 HE3 TRP 59 HE3 TRP 59 -15.339 15.464 3.846 525 HZ2 TRP 59 HZ2 TRP 59 -12.416 15.783 -0.036 526 HZ3 TRP 59 HZ3 TRP 59 -13.824 17.343 3.592 527 HH2 TRP 59 HH2 TRP 59 -12.382 17.498 1.677 528 H SER 60 H SER 60 -15.222 11.429 6.231 529 HA SER 60 HA SER 60 -13.011 13.243 5.685 530 HB2 SER 60 HB3 SER 60 -12.794 13.562 8.074 531 HB3 SER 60 HB2 SER 60 -14.484 13.834 7.592 532 HG SER 60 HG SER 60 -14.286 12.586 9.453 533 H HIS 61 H HIS 61 -13.601 9.934 5.834 534 HA HIS 61 HA HIS 61 -12.220 8.199 5.748 535 HB2 HIS 61 HB3 HIS 61 -11.260 9.692 4.029 536 HB3 HIS 61 HB2 HIS 61 -10.203 10.422 5.253 537 HD1 HIS 61 HD1 HIS 61 -10.798 6.857 4.026 538 HD2 HIS 61 HD2 HIS 61 -7.871 9.443 5.255 539 HE1 HIS 61 HE1 HIS 61 -8.597 5.682 3.779 540 HE2 HIS 61 HE2 HIS 61 -6.828 7.271 4.546 541 HA PRO 62 HA PRO 62 -9.924 8.849 9.673 542 HB2 PRO 62 HB3 PRO 62 -11.657 8.601 11.724 543 HB3 PRO 62 HB2 PRO 62 -11.657 10.128 10.776 544 HG2 PRO 62 HG3 PRO 62 -13.482 7.715 10.459 545 HG3 PRO 62 HG2 PRO 62 -13.951 9.441 10.570 546 HD2 PRO 62 HD3 PRO 62 -13.601 8.076 8.157 547 HD3 PRO 62 HD2 PRO 62 -13.362 9.842 8.359 548 H GLN 63 H GLN 63 -11.834 6.472 8.291 549 HA GLN 63 HA GLN 63 -11.703 4.664 10.497 550 HB2 GLN 63 HB3 GLN 63 -12.762 3.096 8.927 551 HB3 GLN 63 HB2 GLN 63 -13.607 4.660 8.936 552 HG2 GLN 63 HG3 GLN 63 -12.367 5.338 6.904 553 HG3 GLN 63 HG2 GLN 63 -11.533 3.766 6.883 554 HE21 GLN 63 HE21 GLN 63 -14.185 5.434 5.644 555 HE22 GLN 63 HE22 GLN 63 -15.102 4.099 5.195 556 H PHE 64 H PHE 64 -9.181 5.028 10.481 557 HA PHE 64 HA PHE 64 -7.780 3.652 8.398 558 HB2 PHE 64 HB3 PHE 64 -7.044 4.662 11.185 559 HB3 PHE 64 HB2 PHE 64 -5.868 4.002 10.021 560 HD1 PHE 64 HD2 PHE 64 -6.063 5.077 7.637 561 HD2 PHE 64 HD1 PHE 64 -7.402 6.907 11.142 562 HE1 PHE 64 HE2 PHE 64 -5.938 7.230 6.562 563 HE2 PHE 64 HE1 PHE 64 -7.291 9.058 10.062 564 HZ PHE 64 HZ PHE 64 -6.555 9.220 7.772 565 H GLU 65 H GLU 65 -8.664 2.971 11.843 566 HA GLU 65 HA GLU 65 -8.104 0.174 11.167 567 HB2 GLU 65 HB3 GLU 65 -7.873 1.636 13.829 568 HB3 GLU 65 HB2 GLU 65 -7.708 -0.123 13.634 569 HG2 GLU 65 HG3 GLU 65 -5.996 1.825 12.051 570 HG3 GLU 65 HG2 GLU 65 -5.539 1.280 13.681 571 H LYS 66 H LYS 66 -10.561 2.404 11.684 572 HA LYS 66 HA LYS 66 -12.189 0.255 12.838 573 HB2 LYS 66 HB3 LYS 66 -12.411 3.280 13.175 574 HB3 LYS 66 HB2 LYS 66 -13.580 2.094 13.802 575 HG2 LYS 66 HG3 LYS 66 -11.807 1.045 15.163 576 HG3 LYS 66 HG2 LYS 66 -10.617 2.206 14.528 577 HD2 LYS 66 HD3 LYS 66 -13.136 2.970 16.072 578 HD3 LYS 66 HD2 LYS 66 -11.504 2.866 16.774 579 HE2 LYS 66 HE3 LYS 66 -10.702 4.561 15.140 580 HE3 LYS 66 HE2 LYS 66 -12.352 4.694 14.484 581 HZ1 LYS 66 HZ1 LYS 66 -11.549 5.239 17.262 582 HZ2 LYS 66 HZ2 LYS 66 -11.893 6.388 16.101 583 HZ3 LYS 66 HZ3 LYS 66 -13.096 5.368 16.648 584 H1 MET 1 H1 MET 1 9.313 -15.093 -7.354 585 H2 MET 1 H2 MET 1 8.057 -14.559 -8.315 586 H3 MET 1 H3 MET 1 7.752 -15.594 -7.042 587 HA MET 1 HA MET 1 8.434 -13.935 -5.461 588 HB2 MET 1 HB3 MET 1 8.931 -11.675 -6.280 589 HB3 MET 1 HB2 MET 1 10.054 -12.845 -7.006 590 HG2 MET 1 HG3 MET 1 8.625 -12.926 -9.049 591 HG3 MET 1 HG2 MET 1 7.547 -11.710 -8.321 592 HE1 MET 1 HE1 MET 1 8.710 -11.495 -11.024 593 HE2 MET 1 HE2 MET 1 7.681 -10.287 -10.217 594 HE3 MET 1 HE3 MET 1 9.157 -9.773 -11.070 595 H GLU 2 H GLU 2 6.551 -13.164 -4.496 596 HA GLU 2 HA GLU 2 4.516 -11.904 -5.996 597 HB2 GLU 2 HB3 GLU 2 4.174 -14.182 -6.852 598 HB3 GLU 2 HB2 GLU 2 4.205 -14.834 -5.203 599 HG2 GLU 2 HG3 GLU 2 1.910 -14.685 -6.037 600 HG3 GLU 2 HG2 GLU 2 2.135 -13.582 -4.663 601 H LYS 3 H LYS 3 4.656 -14.236 -3.225 602 HA LYS 3 HA LYS 3 3.376 -12.085 -1.722 603 HB2 LYS 3 HB3 LYS 3 2.527 -13.893 -0.250 604 HB3 LYS 3 HB2 LYS 3 2.029 -14.161 -1.939 605 HG2 LYS 3 HG3 LYS 3 3.926 -15.713 -2.261 606 HG3 LYS 3 HG2 LYS 3 4.451 -15.437 -0.583 607 HD2 LYS 3 HD3 LYS 3 1.726 -16.557 -1.386 608 HD3 LYS 3 HD2 LYS 3 3.112 -17.539 -0.851 609 HE2 LYS 3 HE3 LYS 3 3.170 -16.245 1.287 610 HE3 LYS 3 HE2 LYS 3 1.716 -15.360 0.765 611 HZ1 LYS 3 HZ1 LYS 3 0.566 -17.444 0.634 612 HZ2 LYS 3 HZ2 LYS 3 1.932 -18.274 1.114 613 HZ3 LYS 3 HZ3 LYS 3 1.184 -17.218 2.167 614 H ARG 4 H ARG 4 3.855 -12.224 0.658 615 HA ARG 4 HA ARG 4 6.544 -11.822 1.177 616 HB2 ARG 4 HB3 ARG 4 4.636 -10.891 2.434 617 HB3 ARG 4 HB2 ARG 4 4.108 -12.524 2.878 618 HG2 ARG 4 HG3 ARG 4 6.245 -12.826 4.153 619 HG3 ARG 4 HG2 ARG 4 6.645 -11.123 3.804 620 HD2 ARG 4 HD3 ARG 4 5.513 -11.337 6.007 621 HD3 ARG 4 HD2 ARG 4 4.501 -10.417 4.868 622 HE ARG 4 HE ARG 4 4.109 -13.277 5.373 623 HH11 ARG 4 HH11 ARG 4 2.953 -9.984 5.047 624 HH12 ARG 4 HH12 ARG 4 1.334 -10.405 5.157 625 HH21 ARG 4 HH21 ARG 4 1.849 -13.798 5.546 626 HH22 ARG 4 HH22 ARG 4 0.699 -12.571 5.474 627 HA PRO 5 HA PRO 5 7.192 -16.258 1.569 628 HB2 PRO 5 HB3 PRO 5 9.932 -16.295 1.452 629 HB3 PRO 5 HB2 PRO 5 8.896 -16.074 0.008 630 HG2 PRO 5 HG3 PRO 5 10.328 -13.956 1.632 631 HG3 PRO 5 HG2 PRO 5 10.206 -14.115 -0.144 632 HD2 PRO 5 HD3 PRO 5 8.578 -12.460 1.386 633 HD3 PRO 5 HD2 PRO 5 8.076 -13.169 -0.180 634 H ARG 6 H ARG 6 10.057 -14.866 3.131 635 HA ARG 6 HA ARG 6 8.926 -15.917 5.627 636 HB2 ARG 6 HB3 ARG 6 11.798 -15.465 4.680 637 HB3 ARG 6 HB2 ARG 6 11.355 -15.762 6.373 638 HG2 ARG 6 HG3 ARG 6 11.959 -17.889 5.567 639 HG3 ARG 6 HG2 ARG 6 10.180 -17.903 5.524 640 HD2 ARG 6 HD3 ARG 6 10.222 -17.375 3.122 641 HD3 ARG 6 HD2 ARG 6 11.994 -17.229 3.161 642 HE ARG 6 HE ARG 6 11.112 -19.750 4.094 643 HH11 ARG 6 HH11 ARG 6 11.651 -17.755 1.294 644 HH12 ARG 6 HH12 ARG 6 11.904 -19.037 0.237 645 HH21 ARG 6 HH21 ARG 6 11.459 -21.522 2.628 646 HH22 ARG 6 HH22 ARG 6 11.794 -21.218 1.010 647 H THR 7 H THR 7 7.739 -13.786 5.807 648 HA THR 7 HA THR 7 7.561 -11.597 6.260 649 HB THR 7 HB THR 7 8.940 -10.852 8.158 650 HG1 THR 7 HG1 THR 7 10.850 -11.856 7.402 651 HG21 THR 7 HG21 THR 7 8.079 -13.770 8.362 652 HG22 THR 7 HG22 THR 7 8.298 -12.651 9.729 653 HG23 THR 7 HG23 THR 7 7.003 -12.363 8.541 654 H GLU 8 H GLU 8 8.759 -11.796 3.796 655 HA GLU 8 HA GLU 8 10.748 -9.659 4.039 656 HB2 GLU 8 HB3 GLU 8 10.587 -11.912 1.999 657 HB3 GLU 8 HB2 GLU 8 11.601 -10.467 1.802 658 HG2 GLU 8 HG3 GLU 8 12.814 -10.997 3.873 659 HG3 GLU 8 HG2 GLU 8 11.778 -12.417 4.132 660 H PHE 9 H PHE 9 9.921 -7.784 3.233 661 HA PHE 9 HA PHE 9 7.467 -7.658 1.980 662 HB2 PHE 9 HB3 PHE 9 8.298 -5.378 1.241 663 HB3 PHE 9 HB2 PHE 9 8.450 -5.707 2.982 664 HD1 PHE 9 HD1 PHE 9 10.796 -7.681 1.408 665 HD2 PHE 9 HD2 PHE 9 10.079 -3.698 2.425 666 HE1 PHE 9 HE1 PHE 9 13.160 -7.250 1.369 667 HE2 PHE 9 HE2 PHE 9 12.450 -3.269 2.390 668 HZ PHE 9 HZ PHE 9 13.991 -5.042 1.865 669 H SER 10 H SER 10 6.833 -8.208 -0.019 670 HA SER 10 HA SER 10 8.911 -8.430 -2.072 671 HB2 SER 10 HB3 SER 10 6.452 -10.172 -1.575 672 HB3 SER 10 HB2 SER 10 7.568 -10.336 -2.953 673 HG SER 10 HG SER 10 8.247 -10.489 -0.198 674 H GLU 11 H GLU 11 7.418 -8.543 -4.316 675 HA GLU 11 HA GLU 11 6.696 -6.116 -4.984 676 HB2 GLU 11 HB3 GLU 11 5.185 -8.669 -5.673 677 HB3 GLU 11 HB2 GLU 11 5.052 -7.133 -6.559 678 HG2 GLU 11 HG3 GLU 11 6.642 -8.590 -7.702 679 HG3 GLU 11 HG2 GLU 11 7.525 -7.214 -6.996 680 H GLU 12 H GLU 12 4.343 -8.367 -3.419 681 HA GLU 12 HA GLU 12 2.187 -6.631 -3.521 682 HB2 GLU 12 HB3 GLU 12 1.990 -9.008 -2.998 683 HB3 GLU 12 HB2 GLU 12 2.998 -8.802 -1.546 684 HG2 GLU 12 HG3 GLU 12 0.664 -8.840 -0.874 685 HG3 GLU 12 HG2 GLU 12 1.305 -7.199 -0.643 686 H GLN 13 H GLN 13 4.672 -7.060 -0.926 687 HA GLN 13 HA GLN 13 3.363 -5.094 0.674 688 HB2 GLN 13 HB3 GLN 13 6.076 -6.475 0.810 689 HB3 GLN 13 HB2 GLN 13 5.506 -5.300 2.011 690 HG2 GLN 13 HG3 GLN 13 5.071 -7.495 2.871 691 HG3 GLN 13 HG2 GLN 13 3.507 -6.778 2.437 692 HE21 GLN 13 HE21 GLN 13 2.309 -8.617 1.892 693 HE22 GLN 13 HE22 GLN 13 2.800 -9.697 0.700 694 H LYS 14 H LYS 14 5.903 -5.085 -1.787 695 HA LYS 14 HA LYS 14 7.223 -2.764 -1.029 696 HB2 LYS 14 HB3 LYS 14 6.639 -4.025 -3.740 697 HB3 LYS 14 HB2 LYS 14 7.764 -2.670 -3.504 698 HG2 LYS 14 HG3 LYS 14 8.039 -5.300 -2.002 699 HG3 LYS 14 HG2 LYS 14 8.811 -5.003 -3.577 700 HD2 LYS 14 HD3 LYS 14 9.939 -3.009 -2.621 701 HD3 LYS 14 HD2 LYS 14 9.222 -3.377 -1.032 702 HE2 LYS 14 HE3 LYS 14 11.541 -4.265 -1.217 703 HE3 LYS 14 HE2 LYS 14 10.354 -5.578 -1.035 704 HZ1 LYS 14 HZ1 LYS 14 11.926 -6.035 -2.770 705 HZ2 LYS 14 HZ2 LYS 14 10.390 -5.869 -3.401 706 HZ3 LYS 14 HZ3 LYS 14 11.501 -4.637 -3.576 707 H LYS 15 H LYS 15 4.380 -3.243 -3.202 708 HA LYS 15 HA LYS 15 4.139 -0.688 -4.118 709 HB2 LYS 15 HB3 LYS 15 2.004 -2.670 -3.236 710 HB3 LYS 15 HB2 LYS 15 1.663 -1.170 -4.126 711 HG2 LYS 15 HG3 LYS 15 3.141 -1.909 -5.965 712 HG3 LYS 15 HG2 LYS 15 3.448 -3.442 -5.112 713 HD2 LYS 15 HD3 LYS 15 0.637 -2.466 -5.765 714 HD3 LYS 15 HD2 LYS 15 1.585 -3.463 -6.892 715 HE2 LYS 15 HE3 LYS 15 0.137 -4.887 -5.501 716 HE3 LYS 15 HE2 LYS 15 1.849 -5.201 -5.133 717 HZ1 LYS 15 HZ1 LYS 15 0.412 -4.943 -3.182 718 HZ2 LYS 15 HZ2 LYS 15 1.673 -3.869 -3.215 719 HZ3 LYS 15 HZ3 LYS 15 0.132 -3.355 -3.613 720 H ALA 16 H ALA 16 2.830 -1.991 -1.009 721 HA ALA 16 HA ALA 16 1.436 0.263 -0.307 722 HB1 ALA 16 HB1 ALA 16 1.734 -0.577 2.009 723 HB2 ALA 16 HB2 ALA 16 1.340 -1.899 0.885 724 HB3 ALA 16 HB3 ALA 16 3.015 -1.673 1.442 725 H LEU 17 H LEU 17 4.992 -0.367 0.098 726 HA LEU 17 HA LEU 17 5.159 1.974 1.721 727 HB2 LEU 17 HB3 LEU 17 7.115 0.069 0.423 728 HB3 LEU 17 HB2 LEU 17 7.689 1.598 1.131 729 HG LEU 17 HG LEU 17 6.838 1.021 3.308 730 HD11 LEU 17 HD11 LEU 17 5.572 -1.393 1.943 731 HD12 LEU 17 HD12 LEU 17 5.594 -1.099 3.698 732 HD13 LEU 17 HD13 LEU 17 4.706 0.006 2.625 733 HD21 LEU 17 HD21 LEU 17 7.975 -1.198 3.706 734 HD22 LEU 17 HD22 LEU 17 8.152 -1.371 1.946 735 HD23 LEU 17 HD23 LEU 17 8.969 -0.036 2.797 736 H ASP 18 H ASP 18 5.113 1.362 -1.741 737 HA ASP 18 HA ASP 18 6.475 3.781 -2.396 738 HB2 ASP 18 HB3 ASP 18 6.144 1.830 -3.976 739 HB3 ASP 18 HB2 ASP 18 4.406 2.201 -3.990 740 H LEU 19 H LEU 19 3.112 2.701 -1.923 741 HA LEU 19 HA LEU 19 1.903 5.116 -2.703 742 HB2 LEU 19 HB3 LEU 19 1.207 2.610 -1.174 743 HB3 LEU 19 HB2 LEU 19 0.094 3.995 -1.093 744 HG LEU 19 HG LEU 19 -0.315 3.975 -3.419 745 HD11 LEU 19 HD11 LEU 19 2.044 2.069 -3.708 746 HD12 LEU 19 HD12 LEU 19 1.013 2.668 -5.022 747 HD13 LEU 19 HD13 LEU 19 2.058 3.798 -4.126 748 HD21 LEU 19 HD21 LEU 19 -0.949 1.630 -3.911 749 HD22 LEU 19 HD22 LEU 19 0.103 1.064 -2.591 750 HD23 LEU 19 HD23 LEU 19 -1.335 2.046 -2.228 751 H ALA 20 H ALA 20 3.090 3.864 0.464 752 HA ALA 20 HA ALA 20 1.889 6.037 1.852 753 HB1 ALA 20 HB1 ALA 20 2.404 3.861 2.935 754 HB2 ALA 20 HB2 ALA 20 4.137 4.130 2.643 755 HB3 ALA 20 HB3 ALA 20 3.243 5.204 3.745 756 H PHE 21 H PHE 21 5.265 5.167 1.041 757 HA PHE 21 HA PHE 21 7.130 6.408 1.544 758 HB2 PHE 21 HB3 PHE 21 6.542 6.281 -0.890 759 HB3 PHE 21 HB2 PHE 21 5.751 7.862 -0.736 760 HD1 PHE 21 HD1 PHE 21 8.970 6.287 0.175 761 HD2 PHE 21 HD2 PHE 21 7.032 9.627 -1.406 762 HE1 PHE 21 HE1 PHE 21 11.099 7.367 -0.156 763 HE2 PHE 21 HE2 PHE 21 9.157 10.711 -1.730 764 HZ PHE 21 HZ PHE 21 11.188 9.591 -1.085 765 H TYR 22 H TYR 22 6.168 9.462 0.403 766 HA TYR 22 HA TYR 22 5.892 10.303 3.187 767 HB2 TYR 22 HB3 TYR 22 7.953 11.094 1.914 768 HB3 TYR 22 HB2 TYR 22 6.847 11.969 0.825 769 HD1 TYR 22 HD1 TYR 22 7.266 11.420 4.462 770 HD2 TYR 22 HD2 TYR 22 6.469 14.152 1.407 771 HE1 TYR 22 HE1 TYR 22 7.113 13.192 6.088 772 HE2 TYR 22 HE2 TYR 22 6.305 15.922 3.035 773 HH TYR 22 HH TYR 22 6.747 15.492 6.547 774 H PHE 23 H PHE 23 3.963 9.446 0.811 775 HA PHE 23 HA PHE 23 2.628 11.899 0.230 776 HB2 PHE 23 HB3 PHE 23 1.892 8.957 -0.146 777 HB3 PHE 23 HB2 PHE 23 1.015 10.334 -0.861 778 HD1 PHE 23 HD1 PHE 23 2.719 12.075 -1.979 779 HD2 PHE 23 HD2 PHE 23 3.420 7.987 -1.517 780 HE1 PHE 23 HE1 PHE 23 4.350 12.153 -3.751 781 HE2 PHE 23 HE2 PHE 23 5.042 8.062 -3.297 782 HZ PHE 23 HZ PHE 23 5.516 10.148 -4.407 783 H ASP 24 H ASP 24 2.147 9.107 2.460 784 HA ASP 24 HA ASP 24 -0.020 10.718 3.583 785 HB2 ASP 24 HB3 ASP 24 -0.578 8.345 2.960 786 HB3 ASP 24 HB2 ASP 24 0.643 7.789 4.132 787 H ARG 25 H ARG 25 3.244 10.210 3.893 788 HA ARG 25 HA ARG 25 4.698 10.741 5.513 789 HB2 ARG 25 HB3 ARG 25 2.231 11.684 7.041 790 HB3 ARG 25 HB2 ARG 25 3.923 12.029 7.435 791 HG2 ARG 25 HG3 ARG 25 4.199 13.147 5.223 792 HG3 ARG 25 HG2 ARG 25 2.472 12.873 4.889 793 HD2 ARG 25 HD3 ARG 25 3.590 14.425 7.269 794 HD3 ARG 25 HD2 ARG 25 2.878 15.154 5.809 795 HE ARG 25 HE ARG 25 1.045 13.353 6.814 796 HH11 ARG 25 HH11 ARG 25 2.689 16.277 7.746 797 HH12 ARG 25 HH12 ARG 25 1.438 16.855 8.706 798 HH21 ARG 25 HH21 ARG 25 -0.678 14.151 8.140 799 HH22 ARG 25 HH22 ARG 25 -0.516 15.623 8.934 800 H ARG 26 H ARG 26 2.767 8.167 5.551 801 HA ARG 26 HA ARG 26 2.755 7.529 8.311 802 HB2 ARG 26 HB3 ARG 26 1.131 6.829 6.478 803 HB3 ARG 26 HB2 ARG 26 2.390 5.725 5.880 804 HG2 ARG 26 HG3 ARG 26 2.396 4.524 8.009 805 HG3 ARG 26 HG2 ARG 26 1.319 5.747 8.729 806 HD2 ARG 26 HD3 ARG 26 0.619 3.848 6.452 807 HD3 ARG 26 HD2 ARG 26 -0.015 3.794 8.115 808 HE ARG 26 HE ARG 26 -0.432 6.300 6.806 809 HH11 ARG 26 HH11 ARG 26 -1.609 3.040 7.284 810 HH12 ARG 26 HH12 ARG 26 -3.171 3.398 6.770 811 HH21 ARG 26 HH21 ARG 26 -2.578 6.748 6.143 812 HH22 ARG 26 HH22 ARG 26 -3.731 5.514 6.117 813 H LEU 27 H LEU 27 5.361 8.061 8.159 814 HA LEU 27 HA LEU 27 6.512 5.392 7.969 815 HB2 LEU 27 HB3 LEU 27 7.010 6.841 5.946 816 HB3 LEU 27 HB2 LEU 27 7.878 7.951 7.026 817 HG LEU 27 HG LEU 27 9.286 6.200 5.798 818 HD11 LEU 27 HD11 LEU 27 10.072 7.408 7.830 819 HD12 LEU 27 HD12 LEU 27 9.390 6.107 8.835 820 HD13 LEU 27 HD13 LEU 27 10.724 5.756 7.716 821 HD21 LEU 27 HD21 LEU 27 9.291 3.924 6.762 822 HD22 LEU 27 HD22 LEU 27 7.941 4.369 7.830 823 HD23 LEU 27 HD23 LEU 27 7.700 4.316 6.068 824 H THR 28 H THR 28 5.608 6.430 10.396 825 HA THR 28 HA THR 28 8.144 7.337 11.543 826 HB THR 28 HB THR 28 6.792 8.564 13.220 827 HG1 THR 28 HG1 THR 28 4.654 7.642 11.613 828 HG21 THR 28 HG21 THR 28 5.858 10.284 11.720 829 HG22 THR 28 HG22 THR 28 7.427 9.707 11.108 830 HG23 THR 28 HG23 THR 28 5.914 9.142 10.356 831 HA PRO 29 HA PRO 29 8.336 3.863 14.040 832 HB2 PRO 29 HB3 PRO 29 7.682 5.585 16.443 833 HB3 PRO 29 HB2 PRO 29 8.925 4.299 16.294 834 HG2 PRO 29 HG3 PRO 29 9.666 6.874 16.028 835 HG3 PRO 29 HG2 PRO 29 10.271 5.665 14.849 836 HD2 PRO 29 HD3 PRO 29 8.033 7.671 14.513 837 HD3 PRO 29 HD2 PRO 29 9.271 7.140 13.326 838 H GLU 30 H GLU 30 5.530 5.784 15.272 839 HA GLU 30 HA GLU 30 4.423 3.288 16.106 840 HB2 GLU 30 HB3 GLU 30 3.268 6.099 15.937 841 HB3 GLU 30 HB2 GLU 30 2.407 4.699 16.620 842 HG2 GLU 30 HG3 GLU 30 4.192 4.391 18.290 843 HG3 GLU 30 HG2 GLU 30 5.105 5.747 17.584 844 H TRP 31 H TRP 31 4.628 4.818 13.042 845 HA TRP 31 HA TRP 31 2.220 3.348 12.336 846 HB2 TRP 31 HB3 TRP 31 3.512 5.789 11.128 847 HB3 TRP 31 HB2 TRP 31 2.564 4.672 10.119 848 HD1 TRP 31 HD1 TRP 31 -0.016 4.704 10.369 849 HE1 TRP 31 HE1 TRP 31 -1.665 5.991 11.742 850 HE3 TRP 31 HE3 TRP 31 3.210 6.859 13.475 851 HZ2 TRP 31 HZ2 TRP 31 -1.561 7.721 13.881 852 HZ3 TRP 31 HZ3 TRP 31 2.370 8.353 15.192 853 HH2 TRP 31 HH2 TRP 31 0.013 8.776 15.393 854 H ARG 32 H ARG 32 5.554 3.031 12.424 855 HA ARG 32 HA ARG 32 5.718 1.500 9.984 856 HB2 ARG 32 HB3 ARG 32 7.446 1.695 12.498 857 HB3 ARG 32 HB2 ARG 32 7.831 0.644 11.114 858 HG2 ARG 32 HG3 ARG 32 8.065 2.535 9.635 859 HG3 ARG 32 HG2 ARG 32 7.385 3.640 10.845 860 HD2 ARG 32 HD3 ARG 32 9.330 2.985 12.369 861 HD3 ARG 32 HD2 ARG 32 10.059 2.194 10.951 862 HE ARG 32 HE ARG 32 9.498 4.632 10.032 863 HH11 ARG 32 HH11 ARG 32 11.032 3.430 12.913 864 HH12 ARG 32 HH12 ARG 32 12.041 4.757 13.118 865 HH21 ARG 32 HH21 ARG 32 10.860 6.485 10.336 866 HH22 ARG 32 HH22 ARG 32 11.951 6.527 11.613 867 H ARG 33 H ARG 33 5.033 1.203 13.442 868 HA ARG 33 HA ARG 33 4.756 -1.590 13.528 869 HB2 ARG 33 HB3 ARG 33 4.924 -0.064 15.507 870 HB3 ARG 33 HB2 ARG 33 3.342 0.628 15.079 871 HG2 ARG 33 HG3 ARG 33 2.328 -1.650 15.286 872 HG3 ARG 33 HG2 ARG 33 3.908 -2.281 15.812 873 HD2 ARG 33 HD3 ARG 33 2.323 -0.064 17.196 874 HD3 ARG 33 HD2 ARG 33 2.454 -1.749 17.752 875 HE ARG 33 HE ARG 33 4.874 -1.308 17.934 876 HH11 ARG 33 HH11 ARG 33 2.552 1.285 17.895 877 HH12 ARG 33 HH12 ARG 33 3.510 2.362 18.759 878 HH21 ARG 33 HH21 ARG 33 6.194 0.178 19.126 879 HH22 ARG 33 HH22 ARG 33 5.623 1.720 19.473 880 H TYR 34 H TYR 34 2.496 1.117 12.898 881 HA TYR 34 HA TYR 34 0.151 -0.262 12.695 882 HB2 TYR 34 HB3 TYR 34 0.418 2.196 12.571 883 HB3 TYR 34 HB2 TYR 34 1.174 2.045 10.970 884 HD1 TYR 34 HD1 TYR 34 -0.248 0.843 9.193 885 HD2 TYR 34 HD2 TYR 34 -1.824 2.453 12.705 886 HE1 TYR 34 HE1 TYR 34 -2.428 0.920 8.178 887 HE2 TYR 34 HE2 TYR 34 -3.996 2.573 11.673 888 HH TYR 34 HH TYR 34 -4.723 1.483 8.353 889 H LEU 35 H LEU 35 2.519 0.402 10.025 890 HA LEU 35 HA LEU 35 0.973 -1.052 8.174 891 HB2 LEU 35 HB3 LEU 35 3.898 -0.210 8.260 892 HB3 LEU 35 HB2 LEU 35 3.126 -0.975 6.850 893 HG LEU 35 HG LEU 35 2.138 1.581 8.185 894 HD11 LEU 35 HD11 LEU 35 3.689 1.173 5.590 895 HD12 LEU 35 HD12 LEU 35 3.026 2.719 6.173 896 HD13 LEU 35 HD13 LEU 35 4.328 1.911 7.079 897 HD21 LEU 35 HD21 LEU 35 1.373 0.174 5.588 898 HD22 LEU 35 HD22 LEU 35 0.385 0.242 7.067 899 HD23 LEU 35 HD23 LEU 35 0.721 1.731 6.151 900 H SER 36 H SER 36 3.936 -1.949 10.071 901 HA SER 36 HA SER 36 4.067 -4.450 8.860 902 HB2 SER 36 HB3 SER 36 5.554 -5.051 10.728 903 HB3 SER 36 HB2 SER 36 5.978 -3.458 10.053 904 HG SER 36 HG SER 36 4.876 -2.494 11.697 905 H GLN 37 H GLN 37 1.780 -3.312 11.183 906 HA GLN 37 HA GLN 37 1.304 -5.546 12.701 907 HB2 GLN 37 HB3 GLN 37 0.146 -3.330 12.885 908 HB3 GLN 37 HB2 GLN 37 -0.688 -3.668 11.351 909 HG2 GLN 37 HG3 GLN 37 -1.668 -5.731 12.382 910 HG3 GLN 37 HG2 GLN 37 -0.914 -5.276 13.930 911 HE21 GLN 37 HE21 GLN 37 -1.643 -2.409 12.359 912 HE22 GLN 37 HE22 GLN 37 -3.166 -2.145 13.019 913 H ARG 38 H ARG 38 0.104 -4.738 9.385 914 HA ARG 38 HA ARG 38 -0.619 -7.578 9.247 915 HB2 ARG 38 HB3 ARG 38 -1.884 -5.164 7.881 916 HB3 ARG 38 HB2 ARG 38 -2.321 -6.857 7.565 917 HG2 ARG 38 HG3 ARG 38 -3.012 -7.137 9.913 918 HG3 ARG 38 HG2 ARG 38 -2.527 -5.461 10.270 919 HD2 ARG 38 HD3 ARG 38 -4.167 -4.611 8.658 920 HD3 ARG 38 HD2 ARG 38 -4.638 -6.267 8.214 921 HE ARG 38 HE ARG 38 -5.552 -6.499 10.404 922 HH11 ARG 38 HH11 ARG 38 -4.455 -3.312 9.518 923 HH12 ARG 38 HH12 ARG 38 -5.356 -2.511 10.690 924 HH21 ARG 38 HH21 ARG 38 -6.781 -5.389 12.024 925 HH22 ARG 38 HH22 ARG 38 -6.698 -3.715 12.144 926 H LEU 39 H LEU 39 1.704 -5.387 8.192 927 HA LEU 39 HA LEU 39 1.594 -6.149 5.440 928 HB2 LEU 39 HB3 LEU 39 2.648 -4.000 6.382 929 HB3 LEU 39 HB2 LEU 39 4.002 -5.029 6.915 930 HG LEU 39 HG LEU 39 4.253 -5.826 4.550 931 HD11 LEU 39 HD11 LEU 39 2.992 -4.610 2.783 932 HD12 LEU 39 HD12 LEU 39 1.898 -5.489 3.877 933 HD13 LEU 39 HD13 LEU 39 2.096 -3.728 4.041 934 HD21 LEU 39 HD21 LEU 39 5.129 -3.692 3.623 935 HD22 LEU 39 HD22 LEU 39 4.248 -2.790 4.880 936 HD23 LEU 39 HD23 LEU 39 5.576 -3.884 5.334 937 H GLY 40 H GLY 40 3.475 -7.123 8.367 938 HA2 GLY 40 HA3 GLY 40 3.654 -9.494 8.606 939 HA3 GLY 40 HA2 GLY 40 3.909 -9.587 6.858 940 H LEU 41 H LEU 41 5.834 -6.990 7.645 941 HA LEU 41 HA LEU 41 7.910 -8.872 8.450 942 HB2 LEU 41 HB3 LEU 41 9.494 -7.512 7.030 943 HB3 LEU 41 HB2 LEU 41 8.376 -8.586 6.169 944 HG LEU 41 HG LEU 41 8.699 -6.226 5.214 945 HD11 LEU 41 HD11 LEU 41 5.871 -7.102 5.926 946 HD12 LEU 41 HD12 LEU 41 6.367 -6.113 4.533 947 HD13 LEU 41 HD13 LEU 41 6.859 -7.819 4.631 948 HD21 LEU 41 HD21 LEU 41 7.299 -4.474 6.241 949 HD22 LEU 41 HD22 LEU 41 6.879 -5.574 7.576 950 HD23 LEU 41 HD23 LEU 41 8.557 -5.017 7.371 951 H ASN 42 H ASN 42 9.984 -7.539 9.102 952 HA ASN 42 HA ASN 42 9.156 -6.195 11.421 953 HB2 ASN 42 HB3 ASN 42 11.811 -6.618 10.019 954 HB3 ASN 42 HB2 ASN 42 11.685 -5.669 11.520 955 HD21 ASN 42 HD21 ASN 42 12.410 -6.999 13.169 956 HD22 ASN 42 HD22 ASN 42 11.870 -8.574 13.397 957 H GLU 43 H GLU 43 9.473 -4.029 12.012 958 HA GLU 43 HA GLU 43 8.737 -2.142 10.151 959 HB2 GLU 43 HB3 GLU 43 10.225 -1.891 12.803 960 HB3 GLU 43 HB2 GLU 43 9.457 -0.536 11.942 961 HG2 GLU 43 HG3 GLU 43 7.267 -1.631 12.105 962 HG3 GLU 43 HG2 GLU 43 8.007 -3.055 12.872 963 H GLU 44 H GLU 44 12.036 -3.267 11.026 964 HA GLU 44 HA GLU 44 13.230 -0.970 9.936 965 HB2 GLU 44 HB3 GLU 44 15.293 -2.284 9.981 966 HB3 GLU 44 HB2 GLU 44 14.381 -2.550 11.485 967 HG2 GLU 44 HG3 GLU 44 13.437 -4.645 10.509 968 HG3 GLU 44 HG2 GLU 44 14.415 -4.384 9.044 969 H GLN 45 H GLN 45 11.661 -3.692 8.375 970 HA GLN 45 HA GLN 45 13.284 -3.250 6.033 971 HB2 GLN 45 HB3 GLN 45 10.884 -5.060 6.547 972 HB3 GLN 45 HB2 GLN 45 11.794 -4.984 5.016 973 HG2 GLN 45 HG3 GLN 45 13.883 -5.562 6.235 974 HG3 GLN 45 HG2 GLN 45 12.962 -5.655 7.751 975 HE21 GLN 45 HE21 GLN 45 10.960 -6.812 5.270 976 HE22 GLN 45 HE22 GLN 45 11.310 -8.443 5.473 977 H ILE 46 H ILE 46 10.686 -1.741 7.568 978 HA ILE 46 HA ILE 46 9.365 -0.920 5.152 979 HB ILE 46 HB ILE 46 9.392 0.307 7.957 980 HG12 ILE 46 HG13 ILE 46 8.516 -2.036 7.962 981 HG13 ILE 46 HG12 ILE 46 7.254 -0.834 8.324 982 HG21 ILE 46 HG21 ILE 46 7.462 0.620 5.619 983 HG22 ILE 46 HG22 ILE 46 7.323 1.414 7.206 984 HG23 ILE 46 HG23 ILE 46 8.677 1.818 6.122 985 HD11 ILE 46 HD11 ILE 46 7.769 -2.139 5.617 986 HD12 ILE 46 HD12 ILE 46 6.410 -2.484 6.712 987 HD13 ILE 46 HD13 ILE 46 6.543 -0.888 5.938 988 H GLU 47 H GLU 47 11.674 0.284 7.582 989 HA GLU 47 HA GLU 47 12.140 2.765 6.421 990 HB2 GLU 47 HB3 GLU 47 13.888 0.924 8.113 991 HB3 GLU 47 HB2 GLU 47 14.233 2.641 7.794 992 HG2 GLU 47 HG3 GLU 47 12.095 3.287 8.835 993 HG3 GLU 47 HG2 GLU 47 11.697 1.575 9.117 994 H ARG 48 H ARG 48 13.607 -0.460 5.726 995 HA ARG 48 HA ARG 48 15.703 0.706 4.226 996 HB2 ARG 48 HB3 ARG 48 14.605 -2.017 4.712 997 HB3 ARG 48 HB2 ARG 48 15.380 -1.769 3.131 998 HG2 ARG 48 HG3 ARG 48 17.073 -2.511 4.698 999 HG3 ARG 48 HG2 ARG 48 17.379 -0.811 4.282 1000 HD2 ARG 48 HD3 ARG 48 16.277 -0.109 6.400 1001 HD3 ARG 48 HD2 ARG 48 15.989 -1.824 6.796 1002 HE ARG 48 HE ARG 48 18.693 -1.458 6.251 1003 HH11 ARG 48 HH11 ARG 48 16.210 -0.633 8.541 1004 HH12 ARG 48 HH12 ARG 48 17.243 -0.539 9.864 1005 HH21 ARG 48 HH21 ARG 48 20.120 -1.342 8.074 1006 HH22 ARG 48 HH22 ARG 48 19.516 -0.955 9.593 1007 H TRP 49 H TRP 49 12.510 -0.778 3.137 1008 HA TRP 49 HA TRP 49 13.282 -0.166 0.497 1009 HB2 TRP 49 HB3 TRP 49 11.536 -1.869 1.114 1010 HB3 TRP 49 HB2 TRP 49 10.445 -0.520 1.515 1011 HD1 TRP 49 HD1 TRP 49 8.960 0.072 -0.543 1012 HE1 TRP 49 HE1 TRP 49 9.217 0.035 -3.032 1013 HE3 TRP 49 HE3 TRP 49 13.620 -1.645 -0.721 1014 HZ2 TRP 49 HZ2 TRP 49 11.210 -0.631 -4.828 1015 HZ3 TRP 49 HZ3 TRP 49 14.680 -1.955 -2.883 1016 HH2 TRP 49 HH2 TRP 49 13.488 -1.453 -4.908 1017 H PHE 50 H PHE 50 11.746 1.674 3.063 1018 HA PHE 50 HA PHE 50 10.614 3.694 1.543 1019 HB2 PHE 50 HB3 PHE 50 10.235 3.430 3.960 1020 HB3 PHE 50 HB2 PHE 50 11.961 3.717 4.273 1021 HD1 PHE 50 HD1 PHE 50 9.100 5.343 2.572 1022 HD2 PHE 50 HD2 PHE 50 12.615 5.814 4.774 1023 HE1 PHE 50 HE1 PHE 50 8.707 7.718 2.699 1024 HE2 PHE 50 HE2 PHE 50 12.221 8.188 4.898 1025 HZ PHE 50 HZ PHE 50 10.264 9.140 3.861 1026 H ARG 51 H ARG 51 13.979 3.461 2.927 1027 HA ARG 51 HA ARG 51 14.499 5.971 1.702 1028 HB2 ARG 51 HB3 ARG 51 16.736 5.783 2.575 1029 HB3 ARG 51 HB2 ARG 51 15.576 5.285 3.821 1030 HG2 ARG 51 HG3 ARG 51 17.139 3.596 4.017 1031 HG3 ARG 51 HG2 ARG 51 16.049 2.857 2.819 1032 HD2 ARG 51 HD3 ARG 51 17.513 3.689 0.998 1033 HD3 ARG 51 HD2 ARG 51 18.568 4.479 2.188 1034 HE ARG 51 HE ARG 51 18.152 1.584 2.214 1035 HH11 ARG 51 HH11 ARG 51 20.105 4.460 2.051 1036 HH12 ARG 51 HH12 ARG 51 21.574 3.660 2.202 1037 HH21 ARG 51 HH21 ARG 51 20.186 0.478 2.433 1038 HH22 ARG 51 HH22 ARG 51 21.622 1.350 2.423 1039 H ARG 52 H ARG 52 14.873 2.584 0.734 1040 HA ARG 52 HA ARG 52 16.746 3.037 -1.298 1041 HB2 ARG 52 HB3 ARG 52 14.447 1.075 -0.960 1042 HB3 ARG 52 HB2 ARG 52 15.562 1.024 -2.345 1043 HG2 ARG 52 HG3 ARG 52 16.510 0.978 0.547 1044 HG3 ARG 52 HG2 ARG 52 16.188 -0.498 -0.394 1045 HD2 ARG 52 HD3 ARG 52 18.126 1.710 -1.200 1046 HD3 ARG 52 HD2 ARG 52 18.597 0.166 -0.451 1047 HE ARG 52 HE ARG 52 17.022 -0.010 -2.862 1048 HH11 ARG 52 HH11 ARG 52 20.139 0.049 -1.313 1049 HH12 ARG 52 HH12 ARG 52 20.950 -0.713 -2.572 1050 HH21 ARG 52 HH21 ARG 52 18.139 -1.070 -4.592 1051 HH22 ARG 52 HH22 ARG 52 19.789 -1.362 -4.475 1052 H LYS 53 H LYS 53 13.180 3.250 -1.187 1053 HA LYS 53 HA LYS 53 12.736 3.816 -3.824 1054 HB2 LYS 53 HB3 LYS 53 11.363 4.444 -1.235 1055 HB3 LYS 53 HB2 LYS 53 10.801 5.253 -2.717 1056 HG2 LYS 53 HG3 LYS 53 11.223 2.245 -2.610 1057 HG3 LYS 53 HG2 LYS 53 9.678 3.008 -2.151 1058 HD2 LYS 53 HD3 LYS 53 9.638 4.178 -4.367 1059 HD3 LYS 53 HD2 LYS 53 11.096 3.279 -4.838 1060 HE2 LYS 53 HE3 LYS 53 9.919 1.170 -4.670 1061 HE3 LYS 53 HE2 LYS 53 8.500 1.958 -3.942 1062 HZ1 LYS 53 HZ1 LYS 53 8.111 3.106 -5.920 1063 HZ2 LYS 53 HZ2 LYS 53 9.523 2.571 -6.637 1064 HZ3 LYS 53 HZ3 LYS 53 8.285 1.494 -6.316 1065 H GLU 54 H GLU 54 14.546 5.911 -1.656 1066 HA GLU 54 HA GLU 54 14.048 7.939 -3.694 1067 HB2 GLU 54 HB3 GLU 54 14.017 9.645 -1.936 1068 HB3 GLU 54 HB2 GLU 54 12.772 8.411 -1.628 1069 HG2 GLU 54 HG3 GLU 54 14.393 7.252 -0.093 1070 HG3 GLU 54 HG2 GLU 54 15.514 8.621 -0.307 1071 H GLN 55 H GLN 55 16.442 5.970 -2.344 1072 HA GLN 55 HA GLN 55 18.286 8.235 -2.484 1073 HB2 GLN 55 HB3 GLN 55 19.862 6.830 -1.268 1074 HB3 GLN 55 HB2 GLN 55 18.293 6.781 -0.429 1075 HG2 GLN 55 HG3 GLN 55 18.928 4.503 -0.513 1076 HG3 GLN 55 HG2 GLN 55 17.828 4.681 -1.902 1077 HE21 GLN 55 HE21 GLN 55 19.171 2.671 -2.613 1078 HE22 GLN 55 HE22 GLN 55 20.593 3.002 -3.444 1079 H GLN 56 H GLN 56 17.089 5.730 -4.412 1080 HA GLN 56 HA GLN 56 19.350 4.727 -5.599 1081 HB2 GLN 56 HB3 GLN 56 17.027 3.903 -5.933 1082 HB3 GLN 56 HB2 GLN 56 16.657 5.380 -6.853 1083 HG2 GLN 56 HG3 GLN 56 17.183 3.681 -8.472 1084 HG3 GLN 56 HG2 GLN 56 18.596 4.763 -8.400 1085 HE21 GLN 56 HE21 GLN 56 17.796 1.530 -8.507 1086 HE22 GLN 56 HE22 GLN 56 19.122 0.919 -7.675 1087 H ILE 57 H ILE 57 17.408 7.589 -6.826 1088 HA ILE 57 HA ILE 57 19.874 8.114 -8.321 1089 HB ILE 57 HB ILE 57 18.392 9.190 -10.011 1090 HG12 ILE 57 HG13 ILE 57 15.930 8.488 -9.843 1091 HG13 ILE 57 HG12 ILE 57 16.246 8.138 -8.127 1092 HG21 ILE 57 HG21 ILE 57 17.620 6.319 -9.354 1093 HG22 ILE 57 HG22 ILE 57 17.547 7.101 -10.949 1094 HG23 ILE 57 HG23 ILE 57 19.124 6.797 -10.180 1095 HD11 ILE 57 HD11 ILE 57 15.340 10.422 -8.439 1096 HD12 ILE 57 HD12 ILE 57 16.993 10.491 -7.804 1097 HD13 ILE 57 HD13 ILE 57 16.691 10.818 -9.525 1098 H GLY 58 H GLY 58 18.540 9.388 -5.587 1099 HA2 GLY 58 HA3 GLY 58 19.729 11.463 -5.105 1100 HA3 GLY 58 HA2 GLY 58 19.174 12.041 -6.681 1101 H TRP 59 H TRP 59 17.138 10.314 -4.273 1102 HA TRP 59 HA TRP 59 15.536 11.063 -2.921 1103 HB2 TRP 59 HB3 TRP 59 17.323 12.630 -2.199 1104 HB3 TRP 59 HB2 TRP 59 16.745 13.798 -3.412 1105 HD1 TRP 59 HD1 TRP 59 15.396 11.937 -0.310 1106 HE1 TRP 59 HE1 TRP 59 13.602 13.338 0.733 1107 HE3 TRP 59 HE3 TRP 59 15.287 15.557 -3.720 1108 HZ2 TRP 59 HZ2 TRP 59 12.319 15.704 0.138 1109 HZ3 TRP 59 HZ3 TRP 59 13.736 17.400 -3.426 1110 HH2 TRP 59 HH2 TRP 59 12.271 17.470 -1.522 1111 H SER 60 H SER 60 15.186 11.567 -6.204 1112 HA SER 60 HA SER 60 12.966 13.350 -5.597 1113 HB2 SER 60 HB3 SER 60 12.706 13.714 -7.971 1114 HB3 SER 60 HB2 SER 60 14.399 13.997 -7.512 1115 HG SER 60 HG SER 60 14.176 12.791 -9.398 1116 H HIS 61 H HIS 61 13.576 10.048 -5.815 1117 HA HIS 61 HA HIS 61 12.203 8.304 -5.740 1118 HB2 HIS 61 HB3 HIS 61 11.246 9.758 -3.991 1119 HB3 HIS 61 HB2 HIS 61 10.184 10.515 -5.194 1120 HD1 HIS 61 HD1 HIS 61 10.781 6.928 -4.039 1121 HD2 HIS 61 HD2 HIS 61 7.855 9.537 -5.218 1122 HE1 HIS 61 HE1 HIS 61 8.579 5.748 -3.811 1123 HE2 HIS 61 HE2 HIS 61 6.811 7.354 -4.545 1124 HA PRO 62 HA PRO 62 9.881 8.998 -9.641 1125 HB2 PRO 62 HB3 PRO 62 11.602 8.781 -11.705 1126 HB3 PRO 62 HB2 PRO 62 11.605 10.295 -10.736 1127 HG2 PRO 62 HG3 PRO 62 13.434 7.881 -10.460 1128 HG3 PRO 62 HG2 PRO 62 13.902 9.609 -10.554 1129 HD2 PRO 62 HD3 PRO 62 13.569 8.218 -8.155 1130 HD3 PRO 62 HD2 PRO 62 13.321 9.985 -8.335 1131 H GLN 63 H GLN 63 11.793 6.596 -8.301 1132 HA GLN 63 HA GLN 63 11.662 4.832 -10.542 1133 HB2 GLN 63 HB3 GLN 63 12.720 3.229 -9.014 1134 HB3 GLN 63 HB2 GLN 63 13.564 4.794 -8.974 1135 HG2 GLN 63 HG3 GLN 63 12.324 5.413 -6.930 1136 HG3 GLN 63 HG2 GLN 63 11.477 3.848 -6.956 1137 HE21 GLN 63 HE21 GLN 63 14.147 5.462 -5.679 1138 HE22 GLN 63 HE22 GLN 63 15.054 4.112 -5.263 1139 H PHE 64 H PHE 64 9.136 5.190 -10.518 1140 HA PHE 64 HA PHE 64 7.743 3.773 -8.460 1141 HB2 PHE 64 HB3 PHE 64 7.001 4.823 -11.230 1142 HB3 PHE 64 HB2 PHE 64 5.829 4.140 -10.075 1143 HD1 PHE 64 HD2 PHE 64 6.035 5.173 -7.671 1144 HD2 PHE 64 HD1 PHE 64 7.345 7.069 -11.151 1145 HE1 PHE 64 HE2 PHE 64 5.909 7.306 -6.557 1146 HE2 PHE 64 HE1 PHE 64 7.233 9.201 -10.033 1147 HZ PHE 64 HZ PHE 64 6.511 9.319 -7.736 1148 H GLU 65 H GLU 65 8.639 3.145 -11.913 1149 HA GLU 65 HA GLU 65 8.092 0.336 -11.273 1150 HB2 GLU 65 HB3 GLU 65 7.859 1.827 -13.919 1151 HB3 GLU 65 HB2 GLU 65 7.701 0.065 -13.743 1152 HG2 GLU 65 HG3 GLU 65 5.978 1.991 -12.143 1153 HG3 GLU 65 HG2 GLU 65 5.525 1.458 -13.779 1154 H LYS 66 H LYS 66 10.540 2.582 -11.760 1155 HA LYS 66 HA LYS 66 12.175 0.452 -12.940 1156 HB2 LYS 66 HB3 LYS 66 12.388 3.482 -13.238 1157 HB3 LYS 66 HB2 LYS 66 13.561 2.307 -13.880 1158 HG2 LYS 66 HG3 LYS 66 11.791 1.270 -15.254 1159 HG3 LYS 66 HG2 LYS 66 10.597 2.418 -14.604 1160 HD2 LYS 66 HD3 LYS 66 13.112 3.211 -16.140 1161 HD3 LYS 66 HD2 LYS 66 11.479 3.109 -16.842 1162 HE2 LYS 66 HE3 LYS 66 10.673 4.781 -15.186 1163 HE3 LYS 66 HE2 LYS 66 12.322 4.913 -14.531 1164 HZ1 LYS 66 HZ1 LYS 66 11.512 5.489 -17.301 1165 HZ2 LYS 66 HZ2 LYS 66 11.854 6.625 -16.126 1166 HZ3 LYS 66 HZ3 LYS 66 13.059 5.616 -16.689 Start of MODEL 3 1 H1 MET 1 H1 MET 1 -6.413 -14.611 5.736 2 H2 MET 1 H2 MET 1 -6.321 -16.172 5.155 3 H3 MET 1 H3 MET 1 -7.775 -15.354 5.120 4 HA MET 1 HA MET 1 -6.809 -15.435 2.937 5 HB2 MET 1 HB3 MET 1 -6.683 -12.679 4.250 6 HB3 MET 1 HB2 MET 1 -6.898 -13.002 2.513 7 HG2 MET 1 HG3 MET 1 -8.792 -13.899 4.731 8 HG3 MET 1 HG2 MET 1 -9.070 -12.518 3.644 9 HE1 MET 1 HE1 MET 1 -9.429 -12.520 1.348 10 HE2 MET 1 HE2 MET 1 -7.856 -13.320 1.110 11 HE3 MET 1 HE3 MET 1 -9.291 -13.894 0.226 12 H GLU 2 H GLU 2 -4.765 -15.958 2.106 13 HA GLU 2 HA GLU 2 -2.579 -14.403 3.280 14 HB2 GLU 2 HB3 GLU 2 -1.158 -16.405 3.037 15 HB3 GLU 2 HB2 GLU 2 -2.563 -16.759 4.071 16 HG2 GLU 2 HG3 GLU 2 -3.743 -17.722 2.086 17 HG3 GLU 2 HG2 GLU 2 -2.286 -17.428 1.107 18 H LYS 3 H LYS 3 -4.271 -15.184 0.397 19 HA LYS 3 HA LYS 3 -2.196 -13.859 -1.055 20 HB2 LYS 3 HB3 LYS 3 -1.785 -15.715 -2.614 21 HB3 LYS 3 HB2 LYS 3 -1.402 -16.233 -0.954 22 HG2 LYS 3 HG3 LYS 3 -3.740 -17.185 -0.796 23 HG3 LYS 3 HG2 LYS 3 -3.950 -16.827 -2.528 24 HD2 LYS 3 HD3 LYS 3 -1.730 -18.567 -1.357 25 HD3 LYS 3 HD2 LYS 3 -3.224 -19.192 -2.095 26 HE2 LYS 3 HE3 LYS 3 -2.656 -18.088 -4.227 27 HE3 LYS 3 HE2 LYS 3 -1.173 -17.423 -3.500 28 HZ1 LYS 3 HZ1 LYS 3 -0.408 -19.633 -3.122 29 HZ2 LYS 3 HZ2 LYS 3 -1.816 -20.285 -3.742 30 HZ3 LYS 3 HZ3 LYS 3 -0.776 -19.440 -4.738 31 H ARG 4 H ARG 4 -2.879 -13.745 -3.444 32 HA ARG 4 HA ARG 4 -5.317 -12.568 -3.676 33 HB2 ARG 4 HB3 ARG 4 -3.436 -12.359 -5.240 34 HB3 ARG 4 HB2 ARG 4 -3.577 -14.072 -5.678 35 HG2 ARG 4 HG3 ARG 4 -5.797 -13.651 -6.676 36 HG3 ARG 4 HG2 ARG 4 -5.674 -11.925 -6.232 37 HD2 ARG 4 HD3 ARG 4 -3.652 -11.676 -7.587 38 HD3 ARG 4 HD2 ARG 4 -3.619 -13.419 -7.920 39 HE ARG 4 HE ARG 4 -6.034 -12.305 -8.815 40 HH11 ARG 4 HH11 ARG 4 -2.605 -12.444 -9.367 41 HH12 ARG 4 HH12 ARG 4 -2.699 -12.260 -11.034 42 HH21 ARG 4 HH21 ARG 4 -6.162 -12.067 -11.156 43 HH22 ARG 4 HH22 ARG 4 -4.750 -12.035 -12.065 44 HA PRO 5 HA PRO 5 -7.656 -16.402 -3.816 45 HB2 PRO 5 HB3 PRO 5 -10.129 -15.325 -3.314 46 HB3 PRO 5 HB2 PRO 5 -8.910 -15.602 -2.029 47 HG2 PRO 5 HG3 PRO 5 -9.551 -13.023 -3.480 48 HG3 PRO 5 HG2 PRO 5 -9.263 -13.278 -1.740 49 HD2 PRO 5 HD3 PRO 5 -7.346 -12.371 -3.534 50 HD3 PRO 5 HD2 PRO 5 -6.952 -13.276 -2.039 51 H ARG 6 H ARG 6 -9.864 -13.890 -4.931 52 HA ARG 6 HA ARG 6 -9.448 -14.863 -7.649 53 HB2 ARG 6 HB3 ARG 6 -12.091 -14.403 -6.190 54 HB3 ARG 6 HB2 ARG 6 -11.923 -14.740 -7.929 55 HG2 ARG 6 HG3 ARG 6 -10.878 -16.921 -7.419 56 HG3 ARG 6 HG2 ARG 6 -11.012 -16.585 -5.676 57 HD2 ARG 6 HD3 ARG 6 -12.874 -18.015 -6.433 58 HD3 ARG 6 HD2 ARG 6 -13.483 -16.431 -5.898 59 HE ARG 6 HE ARG 6 -13.017 -17.084 -8.718 60 HH11 ARG 6 HH11 ARG 6 -14.865 -15.763 -6.078 61 HH12 ARG 6 HH12 ARG 6 -16.099 -15.158 -7.045 62 HH21 ARG 6 HH21 ARG 6 -14.719 -16.245 -10.048 63 HH22 ARG 6 HH22 ARG 6 -16.015 -15.438 -9.345 64 H THR 7 H THR 7 -8.160 -12.711 -7.374 65 HA THR 7 HA THR 7 -7.936 -10.502 -7.612 66 HB THR 7 HB THR 7 -9.289 -9.567 -9.447 67 HG1 THR 7 HG1 THR 7 -11.228 -10.578 -8.758 68 HG21 THR 7 HG21 THR 7 -7.409 -11.101 -9.966 69 HG22 THR 7 HG22 THR 7 -8.525 -12.486 -9.900 70 HG23 THR 7 HG23 THR 7 -8.715 -11.249 -11.166 71 H GLU 8 H GLU 8 -9.221 -10.751 -5.141 72 HA GLU 8 HA GLU 8 -10.969 -8.440 -5.433 73 HB2 GLU 8 HB3 GLU 8 -12.476 -9.376 -3.687 74 HB3 GLU 8 HB2 GLU 8 -12.491 -10.304 -5.203 75 HG2 GLU 8 HG3 GLU 8 -10.960 -11.950 -4.252 76 HG3 GLU 8 HG2 GLU 8 -10.846 -11.018 -2.737 77 H PHE 9 H PHE 9 -8.672 -7.635 -4.759 78 HA PHE 9 HA PHE 9 -7.171 -7.091 -3.142 79 HB2 PHE 9 HB3 PHE 9 -8.220 -5.397 -1.680 80 HB3 PHE 9 HB2 PHE 9 -8.686 -5.253 -3.388 81 HD1 PHE 9 HD2 PHE 9 -9.844 -6.498 -0.134 82 HD2 PHE 9 HD1 PHE 9 -10.897 -5.438 -4.029 83 HE1 PHE 9 HE2 PHE 9 -12.175 -6.662 0.450 84 HE2 PHE 9 HE1 PHE 9 -13.229 -5.584 -3.441 85 HZ PHE 9 HZ PHE 9 -13.868 -6.203 -1.202 86 H SER 10 H SER 10 -6.506 -9.078 -2.234 87 HA SER 10 HA SER 10 -7.939 -10.255 -0.100 88 HB2 SER 10 HB3 SER 10 -6.257 -11.425 -1.575 89 HB3 SER 10 HB2 SER 10 -4.977 -10.462 -0.807 90 HG SER 10 HG SER 10 -5.238 -12.494 0.138 91 H GLU 11 H GLU 11 -6.553 -10.578 2.076 92 HA GLU 11 HA GLU 11 -6.589 -8.115 3.328 93 HB2 GLU 11 HB3 GLU 11 -6.807 -10.256 4.527 94 HB3 GLU 11 HB2 GLU 11 -5.110 -10.645 4.149 95 HG2 GLU 11 HG3 GLU 11 -4.355 -8.644 5.361 96 HG3 GLU 11 HG2 GLU 11 -6.039 -8.172 5.683 97 H GLU 12 H GLU 12 -3.771 -9.896 1.929 98 HA GLU 12 HA GLU 12 -1.935 -8.026 2.963 99 HB2 GLU 12 HB3 GLU 12 -1.800 -9.881 0.543 100 HB3 GLU 12 HB2 GLU 12 -0.429 -8.953 1.191 101 HG2 GLU 12 HG3 GLU 12 -0.359 -11.235 2.068 102 HG3 GLU 12 HG2 GLU 12 -0.725 -10.104 3.394 103 H GLN 13 H GLN 13 -4.337 -7.669 0.564 104 HA GLN 13 HA GLN 13 -2.728 -5.647 -0.792 105 HB2 GLN 13 HB3 GLN 13 -5.270 -7.172 -1.545 106 HB3 GLN 13 HB2 GLN 13 -4.463 -5.969 -2.580 107 HG2 GLN 13 HG3 GLN 13 -2.473 -7.327 -2.744 108 HG3 GLN 13 HG2 GLN 13 -3.046 -8.433 -1.478 109 HE21 GLN 13 HE21 GLN 13 -2.363 -9.717 -3.738 110 HE22 GLN 13 HE22 GLN 13 -3.730 -10.145 -4.615 111 H LYS 14 H LYS 14 -4.884 -5.969 1.756 112 HA LYS 14 HA LYS 14 -6.499 -3.710 0.980 113 HB2 LYS 14 HB3 LYS 14 -6.298 -5.339 3.546 114 HB3 LYS 14 HB2 LYS 14 -7.336 -3.911 3.360 115 HG2 LYS 14 HG3 LYS 14 -8.563 -5.005 1.525 116 HG3 LYS 14 HG2 LYS 14 -7.533 -6.447 1.685 117 HD2 LYS 14 HD3 LYS 14 -8.278 -6.761 4.007 118 HD3 LYS 14 HD2 LYS 14 -9.232 -5.267 3.919 119 HE2 LYS 14 HE3 LYS 14 -10.719 -7.155 3.645 120 HE3 LYS 14 HE2 LYS 14 -10.610 -6.299 2.092 121 HZ1 LYS 14 HZ1 LYS 14 -10.434 -8.743 2.000 122 HZ2 LYS 14 HZ2 LYS 14 -9.162 -7.941 1.287 123 HZ3 LYS 14 HZ3 LYS 14 -8.971 -8.639 2.794 124 H LYS 15 H LYS 15 -3.559 -4.357 2.968 125 HA LYS 15 HA LYS 15 -3.801 -1.727 4.078 126 HB2 LYS 15 HB3 LYS 15 -1.463 -3.686 3.960 127 HB3 LYS 15 HB2 LYS 15 -1.343 -2.048 4.635 128 HG2 LYS 15 HG3 LYS 15 -1.779 -3.343 6.533 129 HG3 LYS 15 HG2 LYS 15 -3.391 -2.726 6.099 130 HD2 LYS 15 HD3 LYS 15 -3.471 -5.156 6.569 131 HD3 LYS 15 HD2 LYS 15 -3.814 -4.863 4.844 132 HE2 LYS 15 HE3 LYS 15 -1.530 -5.428 4.234 133 HE3 LYS 15 HE2 LYS 15 -1.035 -5.474 5.942 134 HZ1 LYS 15 HZ1 LYS 15 -2.460 -7.317 6.287 135 HZ2 LYS 15 HZ2 LYS 15 -3.020 -7.252 4.712 136 HZ3 LYS 15 HZ3 LYS 15 -1.429 -7.656 5.019 137 H ALA 16 H ALA 16 -2.946 -2.938 0.979 138 HA ALA 16 HA ALA 16 -0.959 -0.948 0.485 139 HB1 ALA 16 HB1 ALA 16 -2.709 -2.596 -1.403 140 HB2 ALA 16 HB2 ALA 16 -1.310 -1.607 -1.886 141 HB3 ALA 16 HB3 ALA 16 -1.074 -3.039 -0.856 142 H LEU 17 H LEU 17 -4.416 -1.428 -0.433 143 HA LEU 17 HA LEU 17 -4.698 1.094 -1.601 144 HB2 LEU 17 HB3 LEU 17 -6.487 -1.020 -0.396 145 HB3 LEU 17 HB2 LEU 17 -7.182 0.566 -0.812 146 HG LEU 17 HG LEU 17 -6.532 0.365 -3.113 147 HD11 LEU 17 HD11 LEU 17 -4.288 -0.595 -2.698 148 HD12 LEU 17 HD12 LEU 17 -5.035 -2.154 -2.269 149 HD13 LEU 17 HD13 LEU 17 -5.173 -1.526 -3.929 150 HD21 LEU 17 HD21 LEU 17 -8.546 -0.920 -2.537 151 HD22 LEU 17 HD22 LEU 17 -7.615 -1.795 -3.775 152 HD23 LEU 17 HD23 LEU 17 -7.549 -2.322 -2.078 153 H ASP 18 H ASP 18 -5.059 -0.040 1.799 154 HA ASP 18 HA ASP 18 -6.181 2.409 2.606 155 HB2 ASP 18 HB3 ASP 18 -6.431 0.344 3.938 156 HB3 ASP 18 HB2 ASP 18 -4.670 0.305 4.210 157 H LEU 19 H LEU 19 -2.901 1.657 1.723 158 HA LEU 19 HA LEU 19 -1.874 3.476 3.675 159 HB2 LEU 19 HB3 LEU 19 -0.723 1.392 2.511 160 HB3 LEU 19 HB2 LEU 19 -0.333 2.580 1.243 161 HG LEU 19 HG LEU 19 0.657 4.060 3.014 162 HD11 LEU 19 HD11 LEU 19 1.004 3.020 5.279 163 HD12 LEU 19 HD12 LEU 19 -0.713 3.303 4.900 164 HD13 LEU 19 HD13 LEU 19 -0.030 1.664 4.775 165 HD21 LEU 19 HD21 LEU 19 2.169 2.548 1.845 166 HD22 LEU 19 HD22 LEU 19 2.619 2.583 3.564 167 HD23 LEU 19 HD23 LEU 19 1.709 1.198 2.911 168 H ALA 20 H ALA 20 -3.609 3.985 0.813 169 HA ALA 20 HA ALA 20 -1.789 6.084 -0.027 170 HB1 ALA 20 HB1 ALA 20 -4.265 4.886 -1.321 171 HB2 ALA 20 HB2 ALA 20 -3.237 6.149 -2.041 172 HB3 ALA 20 HB3 ALA 20 -2.571 4.530 -1.736 173 H PHE 21 H PHE 21 -4.228 6.275 2.246 174 HA PHE 21 HA PHE 21 -5.866 8.205 1.035 175 HB2 PHE 21 HB3 PHE 21 -5.211 7.492 3.905 176 HB3 PHE 21 HB2 PHE 21 -6.309 8.827 3.475 177 HD1 PHE 21 HD1 PHE 21 -5.753 5.273 2.560 178 HD2 PHE 21 HD2 PHE 21 -8.477 8.365 3.229 179 HE1 PHE 21 HE1 PHE 21 -7.584 3.758 2.159 180 HE2 PHE 21 HE2 PHE 21 -10.305 6.840 2.872 181 HZ PHE 21 HZ PHE 21 -9.857 4.537 2.314 182 H TYR 22 H TYR 22 -4.194 9.580 -0.040 183 HA TYR 22 HA TYR 22 -3.434 11.647 1.855 184 HB2 TYR 22 HB2 TYR 22 -1.308 11.966 0.887 185 HB3 TYR 22 HB3 TYR 22 -1.462 10.217 1.154 186 HD1 TYR 22 HD1 TYR 22 -1.702 12.844 -1.380 187 HD2 TYR 22 HD2 TYR 22 -1.297 8.757 -0.637 188 HE1 TYR 22 HE1 TYR 22 -1.148 12.481 -3.696 189 HE2 TYR 22 HE2 TYR 22 -0.701 8.404 -2.938 190 HH TYR 22 HH TYR 22 -0.519 10.972 -5.407 191 H PHE 23 H PHE 23 -5.464 12.684 1.017 192 HA PHE 23 HA PHE 23 -6.525 14.122 -0.326 193 HB2 PHE 23 HB3 PHE 23 -3.722 14.526 -1.451 194 HB3 PHE 23 HB2 PHE 23 -5.105 15.617 -1.682 195 HD1 PHE 23 HD1 PHE 23 -6.261 16.327 0.559 196 HD2 PHE 23 HD2 PHE 23 -2.339 14.924 0.291 197 HE1 PHE 23 HE1 PHE 23 -5.735 17.392 2.657 198 HE2 PHE 23 HE2 PHE 23 -1.814 15.986 2.389 199 HZ PHE 23 HZ PHE 23 -3.515 17.212 3.577 200 H ASP 24 H ASP 24 -4.102 13.148 -2.878 201 HA ASP 24 HA ASP 24 -6.511 12.612 -4.411 202 HB2 ASP 24 HB3 ASP 24 -3.585 12.856 -5.247 203 HB3 ASP 24 HB2 ASP 24 -4.953 12.577 -6.351 204 H ARG 25 H ARG 25 -4.312 10.879 -2.546 205 HA ARG 25 HA ARG 25 -3.732 8.700 -2.431 206 HB2 ARG 25 HB3 ARG 25 -6.454 8.372 -3.791 207 HB3 ARG 25 HB2 ARG 25 -5.574 7.140 -2.871 208 HG2 ARG 25 HG3 ARG 25 -6.957 7.778 -1.212 209 HG3 ARG 25 HG2 ARG 25 -5.720 9.033 -0.961 210 HD2 ARG 25 HD3 ARG 25 -7.008 10.583 -2.387 211 HD3 ARG 25 HD2 ARG 25 -8.203 9.311 -2.710 212 HE ARG 25 HE ARG 25 -7.922 9.739 0.057 213 HH11 ARG 25 HH11 ARG 25 -9.163 11.065 -2.906 214 HH12 ARG 25 HH12 ARG 25 -10.411 11.929 -2.187 215 HH21 ARG 25 HH21 ARG 25 -9.654 10.937 1.063 216 HH22 ARG 25 HH22 ARG 25 -10.695 11.855 0.117 217 H ARG 26 H ARG 26 -4.585 6.564 -4.129 218 HA ARG 26 HA ARG 26 -3.443 7.318 -6.722 219 HB2 ARG 26 HB3 ARG 26 -3.280 4.751 -5.068 220 HB3 ARG 26 HB2 ARG 26 -3.129 4.726 -6.833 221 HG2 ARG 26 HG3 ARG 26 -0.916 4.747 -5.898 222 HG3 ARG 26 HG2 ARG 26 -1.202 6.324 -6.658 223 HD2 ARG 26 HD3 ARG 26 -1.463 7.406 -4.569 224 HD3 ARG 26 HD2 ARG 26 -1.772 5.874 -3.718 225 HE ARG 26 HE ARG 26 0.458 5.598 -3.534 226 HH11 ARG 26 HH11 ARG 26 -0.188 8.036 -5.940 227 HH12 ARG 26 HH12 ARG 26 1.432 8.381 -6.225 228 HH21 ARG 26 HH21 ARG 26 2.663 6.054 -3.948 229 HH22 ARG 26 HH22 ARG 26 3.088 7.252 -5.050 230 H LEU 27 H LEU 27 -6.056 7.911 -6.195 231 HA LEU 27 HA LEU 27 -7.482 5.467 -6.930 232 HB2 LEU 27 HB3 LEU 27 -7.834 6.631 -4.675 233 HB3 LEU 27 HB2 LEU 27 -8.598 7.956 -5.574 234 HG LEU 27 HG LEU 27 -10.162 6.194 -4.603 235 HD11 LEU 27 HD11 LEU 27 -11.611 6.117 -6.562 236 HD12 LEU 27 HD12 LEU 27 -10.815 7.707 -6.472 237 HD13 LEU 27 HD13 LEU 27 -10.238 6.484 -7.628 238 HD21 LEU 27 HD21 LEU 27 -10.348 4.062 -5.849 239 HD22 LEU 27 HD22 LEU 27 -8.940 4.518 -6.838 240 HD23 LEU 27 HD23 LEU 27 -8.744 4.227 -5.093 241 H THR 28 H THR 28 -6.140 7.402 -8.834 242 HA THR 28 HA THR 28 -8.629 8.272 -10.118 243 HB THR 28 HB THR 28 -7.212 9.831 -11.406 244 HG1 THR 28 HG1 THR 28 -5.011 9.927 -10.913 245 HG21 THR 28 HG21 THR 28 -6.399 11.274 -9.566 246 HG22 THR 28 HG22 THR 28 -7.985 10.575 -9.162 247 HG23 THR 28 HG23 THR 28 -6.506 9.903 -8.437 248 HA PRO 29 HA PRO 29 -8.204 5.141 -13.076 249 HB2 PRO 29 HB3 PRO 29 -7.679 7.316 -15.118 250 HB3 PRO 29 HB2 PRO 29 -8.719 5.862 -15.274 251 HG2 PRO 29 HG3 PRO 29 -9.854 8.231 -14.674 252 HG3 PRO 29 HG2 PRO 29 -10.346 6.766 -13.764 253 HD2 PRO 29 HD3 PRO 29 -8.480 8.983 -12.900 254 HD3 PRO 29 HD2 PRO 29 -9.687 8.070 -11.934 255 H GLU 30 H GLU 30 -5.768 7.677 -13.633 256 HA GLU 30 HA GLU 30 -3.935 5.983 -14.868 257 HB2 GLU 30 HB3 GLU 30 -3.804 8.456 -14.868 258 HB3 GLU 30 HB2 GLU 30 -3.516 8.443 -13.112 259 HG2 GLU 30 HG3 GLU 30 -1.451 7.116 -13.458 260 HG3 GLU 30 HG2 GLU 30 -1.744 7.116 -15.214 261 H TRP 31 H TRP 31 -4.458 6.761 -11.363 262 HA TRP 31 HA TRP 31 -2.174 5.062 -10.895 263 HB2 TRP 31 HB3 TRP 31 -3.806 6.857 -9.069 264 HB3 TRP 31 HB2 TRP 31 -2.465 5.815 -8.523 265 HD1 TRP 31 HD1 TRP 31 -3.076 8.924 -10.706 266 HE1 TRP 31 HE1 TRP 31 -0.879 10.041 -11.139 267 HE3 TRP 31 HE3 TRP 31 -0.144 5.476 -8.657 268 HZ2 TRP 31 HZ2 TRP 31 1.779 9.481 -10.647 269 HZ3 TRP 31 HZ3 TRP 31 2.258 5.823 -8.653 270 HH2 TRP 31 HH2 TRP 31 3.206 7.797 -9.642 271 H ARG 32 H ARG 32 -5.538 4.585 -11.149 272 HA ARG 32 HA ARG 32 -5.690 2.548 -9.135 273 HB2 ARG 32 HB3 ARG 32 -7.277 3.132 -11.682 274 HB3 ARG 32 HB2 ARG 32 -7.675 1.831 -10.539 275 HG2 ARG 32 HG3 ARG 32 -8.175 3.403 -8.783 276 HG3 ARG 32 HG2 ARG 32 -7.493 4.750 -9.715 277 HD2 ARG 32 HD3 ARG 32 -9.233 4.153 -11.530 278 HD3 ARG 32 HD2 ARG 32 -10.031 3.173 -10.279 279 HE ARG 32 HE ARG 32 -9.601 5.670 -9.197 280 HH11 ARG 32 HH11 ARG 32 -11.276 4.222 -11.887 281 HH12 ARG 32 HH12 ARG 32 -12.467 5.404 -11.969 282 HH21 ARG 32 HH21 ARG 32 -11.228 7.280 -9.309 283 HH22 ARG 32 HH22 ARG 32 -12.452 7.175 -10.457 284 H ARG 33 H ARG 33 -5.069 2.871 -12.631 285 HA ARG 33 HA ARG 33 -4.680 0.149 -13.151 286 HB2 ARG 33 HB3 ARG 33 -5.056 1.962 -14.845 287 HB3 ARG 33 HB2 ARG 33 -3.445 2.611 -14.461 288 HG2 ARG 33 HG3 ARG 33 -2.457 0.385 -15.085 289 HG3 ARG 33 HG2 ARG 33 -4.081 -0.157 -15.578 290 HD2 ARG 33 HD3 ARG 33 -2.548 2.225 -16.724 291 HD3 ARG 33 HD2 ARG 33 -2.824 0.665 -17.535 292 HE ARG 33 HE ARG 33 -5.224 1.233 -17.392 293 HH11 ARG 33 HH11 ARG 33 -2.745 3.669 -17.180 294 HH12 ARG 33 HH12 ARG 33 -3.711 4.921 -17.746 295 HH21 ARG 33 HH21 ARG 33 -6.557 2.967 -18.172 296 HH22 ARG 33 HH22 ARG 33 -5.920 4.514 -18.322 297 H TYR 34 H TYR 34 -2.487 2.806 -12.201 298 HA TYR 34 HA TYR 34 -0.073 1.696 -12.554 299 HB2 TYR 34 HB3 TYR 34 -0.480 3.975 -11.689 300 HB3 TYR 34 HB2 TYR 34 -1.091 3.280 -10.168 301 HD1 TYR 34 HD2 TYR 34 1.902 3.208 -12.332 302 HD2 TYR 34 HD1 TYR 34 0.351 2.887 -8.468 303 HE1 TYR 34 HE2 TYR 34 4.140 3.084 -11.444 304 HE2 TYR 34 HE1 TYR 34 2.588 2.756 -7.581 305 HH TYR 34 HH TYR 34 4.919 2.744 -7.981 306 H LEU 35 H LEU 35 -2.084 1.157 -9.523 307 HA LEU 35 HA LEU 35 0.048 -0.704 -8.914 308 HB2 LEU 35 HB3 LEU 35 -0.664 -0.763 -6.685 309 HB3 LEU 35 HB2 LEU 35 -0.854 0.943 -7.144 310 HG LEU 35 HG LEU 35 -3.125 -1.080 -7.341 311 HD11 LEU 35 HD11 LEU 35 -2.402 0.734 -5.012 312 HD12 LEU 35 HD12 LEU 35 -3.895 -0.221 -5.153 313 HD13 LEU 35 HD13 LEU 35 -2.320 -1.043 -5.016 314 HD21 LEU 35 HD21 LEU 35 -3.334 1.071 -8.589 315 HD22 LEU 35 HD22 LEU 35 -4.517 0.959 -7.264 316 HD23 LEU 35 HD23 LEU 35 -3.058 1.962 -7.074 317 H SER 36 H SER 36 -3.286 -0.751 -10.060 318 HA SER 36 HA SER 36 -3.932 -3.270 -9.072 319 HB2 SER 36 HB3 SER 36 -5.562 -3.308 -10.906 320 HB3 SER 36 HB2 SER 36 -5.502 -1.664 -10.236 321 HG SER 36 HG SER 36 -5.419 -1.807 -12.535 322 H GLN 37 H GLN 37 -1.898 -2.238 -11.767 323 HA GLN 37 HA GLN 37 -1.762 -4.492 -13.274 324 HB2 GLN 37 HB3 GLN 37 -0.605 -2.350 -13.742 325 HB3 GLN 37 HB2 GLN 37 0.504 -2.654 -12.383 326 HG2 GLN 37 HG3 GLN 37 1.285 -4.734 -13.482 327 HG3 GLN 37 HG2 GLN 37 0.172 -4.433 -14.839 328 HE21 GLN 37 HE21 GLN 37 2.638 -4.576 -15.768 329 HE22 GLN 37 HE22 GLN 37 3.330 -3.060 -15.981 330 H ARG 38 H ARG 38 0.119 -3.835 -10.227 331 HA ARG 38 HA ARG 38 0.926 -6.631 -10.497 332 HB2 ARG 38 HB3 ARG 38 2.190 -4.343 -8.930 333 HB3 ARG 38 HB2 ARG 38 2.740 -6.036 -8.894 334 HG2 ARG 38 HG3 ARG 38 3.043 -5.951 -11.381 335 HG3 ARG 38 HG2 ARG 38 2.616 -4.225 -11.341 336 HD2 ARG 38 HD3 ARG 38 5.055 -4.464 -11.335 337 HD3 ARG 38 HD2 ARG 38 4.524 -3.836 -9.757 338 HE ARG 38 HE ARG 38 4.587 -6.590 -9.576 339 HH11 ARG 38 HH11 ARG 38 6.722 -3.919 -10.203 340 HH12 ARG 38 HH12 ARG 38 8.075 -4.632 -9.505 341 HH21 ARG 38 HH21 ARG 38 6.467 -7.581 -8.599 342 HH22 ARG 38 HH22 ARG 38 7.924 -6.746 -8.580 343 H LEU 39 H LEU 39 -1.385 -4.792 -8.889 344 HA LEU 39 HA LEU 39 -1.003 -6.031 -6.343 345 HB2 LEU 39 HB3 LEU 39 -2.179 -3.809 -6.753 346 HB3 LEU 39 HB2 LEU 39 -3.531 -4.743 -7.440 347 HG LEU 39 HG LEU 39 -3.700 -6.014 -5.294 348 HD11 LEU 39 HD11 LEU 39 -1.328 -5.869 -4.639 349 HD12 LEU 39 HD12 LEU 39 -1.472 -4.104 -4.451 350 HD13 LEU 39 HD13 LEU 39 -2.353 -5.190 -3.350 351 HD21 LEU 39 HD21 LEU 39 -3.652 -2.981 -4.933 352 HD22 LEU 39 HD22 LEU 39 -5.021 -3.925 -5.566 353 HD23 LEU 39 HD23 LEU 39 -4.502 -4.135 -3.878 354 H GLY 40 H GLY 40 -3.123 -6.567 -9.227 355 HA2 GLY 40 HA3 GLY 40 -3.198 -8.946 -9.769 356 HA3 GLY 40 HA2 GLY 40 -3.538 -9.224 -8.052 357 H LEU 41 H LEU 41 -5.299 -6.486 -8.618 358 HA LEU 41 HA LEU 41 -7.441 -8.082 -9.798 359 HB2 LEU 41 HB3 LEU 41 -8.988 -6.749 -8.263 360 HB3 LEU 41 HB2 LEU 41 -8.040 -8.053 -7.521 361 HG LEU 41 HG LEU 41 -8.150 -5.760 -6.297 362 HD11 LEU 41 HD11 LEU 41 -5.423 -6.983 -6.878 363 HD12 LEU 41 HD12 LEU 41 -5.923 -6.110 -5.412 364 HD13 LEU 41 HD13 LEU 41 -6.631 -7.698 -5.784 365 HD21 LEU 41 HD21 LEU 41 -6.361 -4.190 -7.015 366 HD22 LEU 41 HD22 LEU 41 -6.047 -5.203 -8.442 367 HD23 LEU 41 HD23 LEU 41 -7.607 -4.367 -8.266 368 H ASN 42 H ASN 42 -9.321 -6.439 -10.505 369 HA ASN 42 HA ASN 42 -7.960 -4.698 -12.299 370 HB2 ASN 42 HB3 ASN 42 -10.887 -5.284 -11.729 371 HB3 ASN 42 HB2 ASN 42 -10.356 -4.121 -12.967 372 HD21 ASN 42 HD21 ASN 42 -10.467 -5.083 -14.972 373 HD22 ASN 42 HD22 ASN 42 -9.974 -6.658 -15.287 374 H GLU 43 H GLU 43 -9.081 -2.413 -12.621 375 HA GLU 43 HA GLU 43 -8.406 -0.948 -10.328 376 HB2 GLU 43 HB3 GLU 43 -10.059 -0.119 -12.756 377 HB3 GLU 43 HB2 GLU 43 -9.306 0.977 -11.579 378 HG2 GLU 43 HG3 GLU 43 -7.854 0.864 -13.509 379 HG3 GLU 43 HG2 GLU 43 -7.063 -0.043 -12.198 380 H GLU 44 H GLU 44 -11.400 -2.400 -11.462 381 HA GLU 44 HA GLU 44 -13.192 -0.823 -10.035 382 HB2 GLU 44 HB3 GLU 44 -13.817 -2.493 -11.758 383 HB3 GLU 44 HB2 GLU 44 -13.244 -3.803 -10.698 384 HG2 GLU 44 HG3 GLU 44 -14.912 -3.194 -8.999 385 HG3 GLU 44 HG2 GLU 44 -15.442 -1.810 -9.985 386 H GLN 45 H GLN 45 -11.150 -3.619 -9.050 387 HA GLN 45 HA GLN 45 -12.527 -3.797 -6.573 388 HB2 GLN 45 HB3 GLN 45 -9.830 -4.889 -7.480 389 HB3 GLN 45 HB2 GLN 45 -10.725 -5.407 -6.031 390 HG2 GLN 45 HG3 GLN 45 -11.716 -5.604 -8.911 391 HG3 GLN 45 HG2 GLN 45 -11.122 -6.960 -7.927 392 HE21 GLN 45 HE21 GLN 45 -12.330 -6.919 -5.579 393 HE22 GLN 45 HE22 GLN 45 -13.998 -6.784 -5.723 394 H ILE 46 H ILE 46 -10.198 -1.574 -7.784 395 HA ILE 46 HA ILE 46 -8.930 -1.167 -5.237 396 HB ILE 46 HB ILE 46 -9.104 0.603 -7.725 397 HG12 ILE 46 HG13 ILE 46 -7.992 -1.582 -8.181 398 HG13 ILE 46 HG12 ILE 46 -6.850 -0.220 -8.253 399 HG21 ILE 46 HG21 ILE 46 -7.149 1.741 -6.733 400 HG22 ILE 46 HG22 ILE 46 -8.545 1.806 -5.631 401 HG23 ILE 46 HG23 ILE 46 -7.224 0.654 -5.325 402 HD11 ILE 46 HD11 ILE 46 -7.257 -2.101 -5.888 403 HD12 ILE 46 HD12 ILE 46 -5.859 -2.080 -6.989 404 HD13 ILE 46 HD13 ILE 46 -6.159 -0.700 -5.907 405 H GLU 47 H GLU 47 -11.397 0.366 -7.333 406 HA GLU 47 HA GLU 47 -12.043 2.416 -5.547 407 HB2 GLU 47 HB3 GLU 47 -13.636 0.975 -7.716 408 HB3 GLU 47 HB2 GLU 47 -14.129 2.501 -6.944 409 HG2 GLU 47 HG3 GLU 47 -12.100 3.611 -7.756 410 HG3 GLU 47 HG2 GLU 47 -11.508 2.081 -8.449 411 H ARG 48 H ARG 48 -13.130 -0.993 -5.769 412 HA ARG 48 HA ARG 48 -15.382 -0.479 -4.113 413 HB2 ARG 48 HB3 ARG 48 -14.074 -2.800 -5.415 414 HB3 ARG 48 HB2 ARG 48 -14.878 -3.156 -3.870 415 HG2 ARG 48 HG3 ARG 48 -16.444 -3.439 -5.745 416 HG3 ARG 48 HG2 ARG 48 -16.957 -2.120 -4.673 417 HD2 ARG 48 HD3 ARG 48 -16.052 -0.456 -6.244 418 HD3 ARG 48 HD2 ARG 48 -15.449 -1.761 -7.297 419 HE ARG 48 HE ARG 48 -18.139 -2.204 -6.880 420 HH11 ARG 48 HH11 ARG 48 -16.023 0.176 -8.291 421 HH12 ARG 48 HH12 ARG 48 -17.104 0.646 -9.488 422 HH21 ARG 48 HH21 ARG 48 -19.619 -1.560 -8.532 423 HH22 ARG 48 HH22 ARG 48 -19.191 -0.361 -9.628 424 H TRP 49 H TRP 49 -12.064 -1.915 -3.395 425 HA TRP 49 HA TRP 49 -12.948 -2.199 -0.716 426 HB2 TRP 49 HB3 TRP 49 -11.061 -3.532 -1.558 427 HB3 TRP 49 HB2 TRP 49 -10.095 -2.049 -1.759 428 HD1 TRP 49 HD1 TRP 49 -8.568 -1.732 0.353 429 HE1 TRP 49 HE1 TRP 49 -8.812 -2.075 2.823 430 HE3 TRP 49 HE3 TRP 49 -13.155 -3.636 0.323 431 HZ2 TRP 49 HZ2 TRP 49 -10.775 -3.036 4.524 432 HZ3 TRP 49 HZ3 TRP 49 -14.198 -4.243 2.428 433 HH2 TRP 49 HH2 TRP 49 -13.017 -3.948 4.499 434 H PHE 50 H PHE 50 -11.427 0.404 -2.566 435 HA PHE 50 HA PHE 50 -10.505 1.928 -0.463 436 HB2 PHE 50 HB3 PHE 50 -10.112 2.381 -2.889 437 HB3 PHE 50 HB2 PHE 50 -11.831 2.798 -3.064 438 HD1 PHE 50 HD2 PHE 50 -8.857 3.704 -1.074 439 HD2 PHE 50 HD1 PHE 50 -12.461 4.976 -2.753 440 HE1 PHE 50 HE2 PHE 50 -8.354 5.972 -0.435 441 HE2 PHE 50 HE1 PHE 50 -11.965 7.242 -2.099 442 HZ PHE 50 HZ PHE 50 -9.908 7.742 -0.946 443 H ARG 51 H ARG 51 -13.790 2.026 -2.045 444 HA ARG 51 HA ARG 51 -14.538 3.870 -0.008 445 HB2 ARG 51 HB3 ARG 51 -16.690 3.944 -1.097 446 HB3 ARG 51 HB2 ARG 51 -15.389 4.049 -2.297 447 HG2 ARG 51 HG3 ARG 51 -16.658 2.496 -3.374 448 HG3 ARG 51 HG2 ARG 51 -15.785 1.363 -2.315 449 HD2 ARG 51 HD3 ARG 51 -17.634 1.482 -0.675 450 HD3 ARG 51 HD2 ARG 51 -18.477 2.673 -1.689 451 HE ARG 51 HE ARG 51 -17.899 -0.044 -2.616 452 HH11 ARG 51 HH11 ARG 51 -19.942 2.730 -2.123 453 HH12 ARG 51 HH12 ARG 51 -21.267 2.092 -2.937 454 HH21 ARG 51 HH21 ARG 51 -19.730 -0.923 -3.743 455 HH22 ARG 51 HH22 ARG 51 -21.144 -0.024 -3.876 456 H ARG 52 H ARG 52 -15.058 0.323 -0.494 457 HA ARG 52 HA ARG 52 -16.972 0.226 1.552 458 HB2 ARG 52 HB3 ARG 52 -15.006 -1.848 0.514 459 HB3 ARG 52 HB2 ARG 52 -16.299 -2.211 1.679 460 HG2 ARG 52 HG3 ARG 52 -16.913 -0.866 -0.974 461 HG3 ARG 52 HG2 ARG 52 -16.764 -2.633 -0.838 462 HD2 ARG 52 HD3 ARG 52 -19.094 -2.107 -0.548 463 HD3 ARG 52 HD2 ARG 52 -18.447 -2.574 1.040 464 HE ARG 52 HE ARG 52 -18.334 0.229 0.588 465 HH11 ARG 52 HH11 ARG 52 -20.339 -2.484 1.431 466 HH12 ARG 52 HH12 ARG 52 -21.440 -1.593 2.334 467 HH21 ARG 52 HH21 ARG 52 -19.857 1.465 1.842 468 HH22 ARG 52 HH22 ARG 52 -21.159 0.698 2.575 469 H LYS 53 H LYS 53 -13.558 0.846 1.792 470 HA LYS 53 HA LYS 53 -13.379 -0.344 4.383 471 HB2 LYS 53 HB3 LYS 53 -11.419 -0.127 2.883 472 HB3 LYS 53 HB2 LYS 53 -11.576 1.645 2.946 473 HG2 LYS 53 HG3 LYS 53 -11.168 1.647 5.346 474 HG3 LYS 53 HG2 LYS 53 -11.183 -0.135 5.395 475 HD2 LYS 53 HD3 LYS 53 -8.866 0.936 5.328 476 HD3 LYS 53 HD2 LYS 53 -9.174 -0.268 4.052 477 HE2 LYS 53 HE3 LYS 53 -9.708 2.692 3.633 478 HE3 LYS 53 HE2 LYS 53 -8.109 1.973 3.332 479 HZ1 LYS 53 HZ1 LYS 53 -9.433 2.015 1.361 480 HZ2 LYS 53 HZ2 LYS 53 -9.109 0.447 1.824 481 HZ3 LYS 53 HZ3 LYS 53 -10.622 1.097 2.083 482 H GLU 54 H GLU 54 -14.225 2.802 3.020 483 HA GLU 54 HA GLU 54 -14.073 3.913 5.706 484 HB2 GLU 54 HB3 GLU 54 -14.178 6.098 4.519 485 HB3 GLU 54 HB2 GLU 54 -12.801 5.099 4.006 486 HG2 GLU 54 HG3 GLU 54 -14.192 4.300 2.059 487 HG3 GLU 54 HG2 GLU 54 -15.425 5.501 2.514 488 H GLN 55 H GLN 55 -16.339 3.686 2.897 489 HA GLN 55 HA GLN 55 -18.376 5.034 4.220 490 HB2 GLN 55 HB3 GLN 55 -18.483 2.863 2.076 491 HB3 GLN 55 HB2 GLN 55 -19.827 3.940 2.510 492 HG2 GLN 55 HG3 GLN 55 -17.130 4.838 1.401 493 HG3 GLN 55 HG2 GLN 55 -18.645 4.714 0.482 494 HE21 GLN 55 HE21 GLN 55 -16.735 6.995 1.830 495 HE22 GLN 55 HE22 GLN 55 -17.917 8.090 2.303 496 H GLN 56 H GLN 56 -17.172 1.768 4.707 497 HA GLN 56 HA GLN 56 -19.636 0.675 5.511 498 HB2 GLN 56 HB3 GLN 56 -17.657 -0.697 4.945 499 HB3 GLN 56 HB2 GLN 56 -16.785 -0.020 6.342 500 HG2 GLN 56 HG3 GLN 56 -17.782 -2.229 6.880 501 HG3 GLN 56 HG2 GLN 56 -18.513 -0.938 7.863 502 HE21 GLN 56 HE21 GLN 56 -19.069 -2.301 4.541 503 HE22 GLN 56 HE22 GLN 56 -20.731 -2.424 4.757 504 H ILE 57 H ILE 57 -17.184 2.673 7.192 505 HA ILE 57 HA ILE 57 -18.654 2.077 9.618 506 HB ILE 57 HB ILE 57 -16.675 2.310 10.666 507 HG12 ILE 57 HG13 ILE 57 -15.270 4.460 10.225 508 HG13 ILE 57 HG12 ILE 57 -16.677 5.021 9.296 509 HG21 ILE 57 HG21 ILE 57 -15.862 1.335 8.527 510 HG22 ILE 57 HG22 ILE 57 -15.587 2.977 7.896 511 HG23 ILE 57 HG23 ILE 57 -14.641 2.386 9.283 512 HD11 ILE 57 HD11 ILE 57 -18.107 4.625 11.314 513 HD12 ILE 57 HD12 ILE 57 -16.670 4.080 12.206 514 HD13 ILE 57 HD13 ILE 57 -16.793 5.769 11.666 515 H GLY 58 H GLY 58 -18.414 4.510 7.143 516 HA2 GLY 58 HA3 GLY 58 -20.367 6.058 7.430 517 HA3 GLY 58 HA2 GLY 58 -19.691 6.326 9.053 518 H TRP 59 H TRP 59 -17.228 5.777 6.797 519 HA TRP 59 HA TRP 59 -15.800 7.047 5.677 520 HB2 TRP 59 HB3 TRP 59 -17.731 7.959 4.476 521 HB3 TRP 59 HB2 TRP 59 -18.017 9.122 5.789 522 HD1 TRP 59 HD1 TRP 59 -15.156 8.294 3.305 523 HE1 TRP 59 HE1 TRP 59 -13.944 10.427 2.797 524 HE3 TRP 59 HE3 TRP 59 -17.664 11.253 6.409 525 HZ2 TRP 59 HZ2 TRP 59 -14.084 13.053 3.643 526 HZ3 TRP 59 HZ3 TRP 59 -17.086 13.608 6.518 527 HH2 TRP 59 HH2 TRP 59 -15.318 14.493 5.152 528 H SER 60 H SER 60 -16.394 7.540 8.899 529 HA SER 60 HA SER 60 -14.935 10.043 8.901 530 HB2 SER 60 HB3 SER 60 -15.125 9.911 11.327 531 HB3 SER 60 HB2 SER 60 -16.718 9.578 10.607 532 HG SER 60 HG SER 60 -16.232 7.368 10.774 533 H HIS 61 H HIS 61 -14.443 6.662 10.111 534 HA HIS 61 HA HIS 61 -11.607 7.228 9.664 535 HB2 HIS 61 HB3 HIS 61 -12.893 5.581 11.887 536 HB3 HIS 61 HB2 HIS 61 -11.149 5.692 11.553 537 HD1 HIS 61 HD1 HIS 61 -13.958 8.120 12.371 538 HD2 HIS 61 HD2 HIS 61 -9.920 7.587 12.774 539 HE1 HIS 61 HE1 HIS 61 -13.087 10.020 13.751 540 HE2 HIS 61 HE2 HIS 61 -10.619 9.674 13.988 541 HA PRO 62 HA PRO 62 -12.174 3.689 6.960 542 HB2 PRO 62 HB3 PRO 62 -9.170 3.853 7.228 543 HB3 PRO 62 HB2 PRO 62 -10.149 3.585 5.749 544 HG2 PRO 62 HG3 PRO 62 -9.094 6.026 6.243 545 HG3 PRO 62 HG2 PRO 62 -10.781 5.884 5.650 546 HD2 PRO 62 HD3 PRO 62 -9.820 6.382 8.480 547 HD3 PRO 62 HD2 PRO 62 -11.213 7.099 7.607 548 H GLN 63 H GLN 63 -12.127 1.528 7.460 549 HA GLN 63 HA GLN 63 -11.983 0.798 10.046 550 HB2 GLN 63 HB3 GLN 63 -11.574 -0.887 7.554 551 HB3 GLN 63 HB2 GLN 63 -11.820 -1.558 9.184 552 HG2 GLN 63 HG3 GLN 63 -13.989 -0.405 9.368 553 HG3 GLN 63 HG2 GLN 63 -13.734 0.340 7.773 554 HE21 GLN 63 HE21 GLN 63 -12.789 -1.724 6.209 555 HE22 GLN 63 HE22 GLN 63 -13.939 -2.947 6.158 556 H PHE 64 H PHE 64 -9.058 1.163 8.042 557 HA PHE 64 HA PHE 64 -7.757 -0.659 9.855 558 HB2 PHE 64 HB3 PHE 64 -6.807 1.021 7.517 559 HB3 PHE 64 HB2 PHE 64 -5.677 0.176 8.602 560 HD1 PHE 64 HD1 PHE 64 -8.842 -0.573 6.826 561 HD2 PHE 64 HD2 PHE 64 -5.045 -1.886 7.953 562 HE1 PHE 64 HE1 PHE 64 -9.200 -2.635 5.636 563 HE2 PHE 64 HE2 PHE 64 -5.408 -3.952 6.769 564 HZ PHE 64 HZ PHE 64 -7.488 -4.330 5.614 565 H GLU 65 H GLU 65 -8.426 2.801 9.763 566 HA GLU 65 HA GLU 65 -6.442 2.941 11.916 567 HB2 GLU 65 HB3 GLU 65 -6.288 5.336 11.496 568 HB3 GLU 65 HB2 GLU 65 -5.929 4.445 10.002 569 HG2 GLU 65 HG3 GLU 65 -8.228 4.832 9.201 570 HG3 GLU 65 HG2 GLU 65 -8.625 5.681 10.716 571 H LYS 66 H LYS 66 -9.681 2.467 11.556 572 HA LYS 66 HA LYS 66 -10.662 4.539 13.185 573 HB2 LYS 66 HB3 LYS 66 -12.613 3.112 13.485 574 HB3 LYS 66 HB2 LYS 66 -12.091 3.008 11.787 575 HG2 LYS 66 HG3 LYS 66 -10.880 0.906 12.295 576 HG3 LYS 66 HG2 LYS 66 -11.395 1.014 13.994 577 HD2 LYS 66 HD3 LYS 66 -13.749 0.846 13.335 578 HD3 LYS 66 HD2 LYS 66 -13.298 0.861 11.615 579 HE2 LYS 66 HE3 LYS 66 -13.711 -1.449 12.346 580 HE3 LYS 66 HE2 LYS 66 -11.986 -1.237 11.965 581 HZ1 LYS 66 HZ1 LYS 66 -13.192 -1.114 14.647 582 HZ2 LYS 66 HZ2 LYS 66 -12.307 -2.387 14.029 583 HZ3 LYS 66 HZ3 LYS 66 -11.573 -0.911 14.294 584 H1 MET 1 H1 MET 1 6.428 -14.513 -6.006 585 H2 MET 1 H2 MET 1 6.338 -16.083 -5.450 586 H3 MET 1 H3 MET 1 7.791 -15.264 -5.405 587 HA MET 1 HA MET 1 6.831 -15.381 -3.222 588 HB2 MET 1 HB3 MET 1 6.698 -12.604 -4.488 589 HB3 MET 1 HB2 MET 1 6.918 -12.956 -2.758 590 HG2 MET 1 HG3 MET 1 8.808 -13.813 -4.994 591 HG3 MET 1 HG2 MET 1 9.087 -12.451 -3.884 592 HE1 MET 1 HE1 MET 1 9.447 -12.494 -1.585 593 HE2 MET 1 HE2 MET 1 7.875 -13.299 -1.363 594 HE3 MET 1 HE3 MET 1 9.309 -13.889 -0.489 595 H GLU 2 H GLU 2 4.792 -15.912 -2.387 596 HA GLU 2 HA GLU 2 2.599 -14.350 -3.538 597 HB2 GLU 2 HB3 GLU 2 1.183 -16.359 -3.311 598 HB3 GLU 2 HB2 GLU 2 2.585 -16.696 -4.355 599 HG2 GLU 2 HG3 GLU 2 3.776 -17.678 -2.385 600 HG3 GLU 2 HG2 GLU 2 2.320 -17.400 -1.398 601 H LYS 3 H LYS 3 4.300 -15.161 -0.668 602 HA LYS 3 HA LYS 3 2.229 -13.855 0.807 603 HB2 LYS 3 HB3 LYS 3 1.824 -15.731 2.345 604 HB3 LYS 3 HB2 LYS 3 1.438 -16.230 0.680 605 HG2 LYS 3 HG3 LYS 3 3.777 -17.175 0.506 606 HG3 LYS 3 HG2 LYS 3 3.990 -16.839 2.241 607 HD2 LYS 3 HD3 LYS 3 1.771 -18.568 1.051 608 HD3 LYS 3 HD2 LYS 3 3.267 -19.198 1.781 609 HE2 LYS 3 HE3 LYS 3 2.696 -18.122 3.926 610 HE3 LYS 3 HE2 LYS 3 1.212 -17.451 3.207 611 HZ1 LYS 3 HZ1 LYS 3 0.453 -19.659 2.801 612 HZ2 LYS 3 HZ2 LYS 3 1.861 -20.313 3.417 613 HZ3 LYS 3 HZ3 LYS 3 0.818 -19.483 4.420 614 H ARG 4 H ARG 4 2.915 -13.767 3.192 615 HA ARG 4 HA ARG 4 5.351 -12.587 3.434 616 HB2 ARG 4 HB3 ARG 4 3.475 -12.407 5.009 617 HB3 ARG 4 HB2 ARG 4 3.624 -14.124 5.424 618 HG2 ARG 4 HG3 ARG 4 5.847 -13.708 6.417 619 HG3 ARG 4 HG2 ARG 4 5.716 -11.977 5.996 620 HD2 ARG 4 HD3 ARG 4 3.695 -11.756 7.362 621 HD3 ARG 4 HD2 ARG 4 3.674 -13.503 7.672 622 HE ARG 4 HE ARG 4 6.086 -12.389 8.573 623 HH11 ARG 4 HH11 ARG 4 2.661 -12.553 9.135 624 HH12 ARG 4 HH12 ARG 4 2.759 -12.387 10.804 625 HH21 ARG 4 HH21 ARG 4 6.222 -12.178 10.916 626 HH22 ARG 4 HH22 ARG 4 4.814 -12.164 11.831 627 HA PRO 5 HA PRO 5 7.704 -16.411 3.512 628 HB2 PRO 5 HB3 PRO 5 10.172 -15.318 3.019 629 HB3 PRO 5 HB2 PRO 5 8.950 -15.584 1.734 630 HG2 PRO 5 HG3 PRO 5 9.585 -13.023 3.219 631 HG3 PRO 5 HG2 PRO 5 9.293 -13.254 1.476 632 HD2 PRO 5 HD3 PRO 5 7.378 -12.378 3.288 633 HD3 PRO 5 HD2 PRO 5 6.982 -13.265 1.782 634 H ARG 6 H ARG 6 9.909 -13.912 4.655 635 HA ARG 6 HA ARG 6 9.504 -14.921 7.362 636 HB2 ARG 6 HB3 ARG 6 12.142 -14.434 5.902 637 HB3 ARG 6 HB2 ARG 6 11.979 -14.797 7.635 638 HG2 ARG 6 HG3 ARG 6 10.939 -16.971 7.101 639 HG3 ARG 6 HG2 ARG 6 11.064 -16.613 5.361 640 HD2 ARG 6 HD3 ARG 6 12.932 -18.049 6.090 641 HD3 ARG 6 HD2 ARG 6 13.538 -16.455 5.577 642 HE ARG 6 HE ARG 6 13.083 -17.151 8.387 643 HH11 ARG 6 HH11 ARG 6 14.921 -15.790 5.760 644 HH12 ARG 6 HH12 ARG 6 16.157 -15.197 6.731 645 HH21 ARG 6 HH21 ARG 6 14.788 -16.329 9.722 646 HH22 ARG 6 HH22 ARG 6 16.080 -15.510 9.028 647 H THR 7 H THR 7 8.210 -12.769 7.121 648 HA THR 7 HA THR 7 7.984 -10.562 7.389 649 HB THR 7 HB THR 7 9.339 -9.655 9.232 650 HG1 THR 7 HG1 THR 7 11.282 -10.647 8.520 651 HG21 THR 7 HG21 THR 7 7.470 -11.206 9.734 652 HG22 THR 7 HG22 THR 7 8.592 -12.584 9.650 653 HG23 THR 7 HG23 THR 7 8.780 -11.360 10.928 654 H GLU 8 H GLU 8 9.263 -10.777 4.908 655 HA GLU 8 HA GLU 8 11.005 -8.465 5.227 656 HB2 GLU 8 HB3 GLU 8 12.508 -9.376 3.466 657 HB3 GLU 8 HB2 GLU 8 12.530 -10.321 4.972 658 HG2 GLU 8 HG3 GLU 8 10.999 -11.962 4.006 659 HG3 GLU 8 HG2 GLU 8 10.879 -11.014 2.502 660 H PHE 9 H PHE 9 8.703 -7.661 4.567 661 HA PHE 9 HA PHE 9 7.198 -7.096 2.963 662 HB2 PHE 9 HB3 PHE 9 8.236 -5.378 1.525 663 HB3 PHE 9 HB2 PHE 9 8.716 -5.261 3.230 664 HD1 PHE 9 HD2 PHE 9 9.851 -6.454 -0.052 665 HD2 PHE 9 HD1 PHE 9 10.932 -5.456 3.852 666 HE1 PHE 9 HE2 PHE 9 12.177 -6.608 -0.656 667 HE2 PHE 9 HE1 PHE 9 13.259 -5.593 3.245 668 HZ PHE 9 HZ PHE 9 13.883 -6.176 0.991 669 H SER 10 H SER 10 6.537 -9.076 2.027 670 HA SER 10 HA SER 10 7.964 -10.212 -0.132 671 HB2 SER 10 HB3 SER 10 6.294 -11.411 1.332 672 HB3 SER 10 HB2 SER 10 5.007 -10.440 0.587 673 HG SER 10 HG SER 10 5.268 -12.456 -0.393 674 H GLU 11 H GLU 11 6.574 -10.503 -2.305 675 HA GLU 11 HA GLU 11 6.602 -8.027 -3.524 676 HB2 GLU 11 HB3 GLU 11 6.807 -10.153 -4.749 677 HB3 GLU 11 HB2 GLU 11 5.113 -10.544 -4.364 678 HG2 GLU 11 HG3 GLU 11 4.351 -8.530 -5.552 679 HG3 GLU 11 HG2 GLU 11 6.035 -8.060 -5.882 680 H GLU 12 H GLU 12 3.786 -9.825 -2.143 681 HA GLU 12 HA GLU 12 1.949 -7.940 -3.146 682 HB2 GLU 12 HB3 GLU 12 1.818 -9.829 -0.751 683 HB3 GLU 12 HB2 GLU 12 0.445 -8.896 -1.388 684 HG2 GLU 12 HG3 GLU 12 0.372 -11.161 -2.296 685 HG3 GLU 12 HG2 GLU 12 0.753 -10.019 -3.608 686 H GLN 13 H GLN 13 4.350 -7.611 -0.740 687 HA GLN 13 HA GLN 13 2.728 -5.624 0.652 688 HB2 GLN 13 HB3 GLN 13 5.284 -7.141 1.374 689 HB3 GLN 13 HB2 GLN 13 4.471 -5.961 2.430 690 HG2 GLN 13 HG3 GLN 13 2.497 -7.337 2.585 691 HG3 GLN 13 HG2 GLN 13 3.062 -8.411 1.288 692 HE21 GLN 13 HE21 GLN 13 2.407 -9.762 3.502 693 HE22 GLN 13 HE22 GLN 13 3.779 -10.206 4.364 694 H LYS 14 H LYS 14 4.846 -5.841 -1.923 695 HA LYS 14 HA LYS 14 6.472 -3.612 -1.078 696 HB2 LYS 14 HB3 LYS 14 6.251 -5.159 -3.692 697 HB3 LYS 14 HB2 LYS 14 7.297 -3.743 -3.468 698 HG2 LYS 14 HG3 LYS 14 8.524 -4.898 -1.669 699 HG3 LYS 14 HG2 LYS 14 7.484 -6.329 -1.870 700 HD2 LYS 14 HD3 LYS 14 8.225 -6.588 -4.195 701 HD3 LYS 14 HD2 LYS 14 9.180 -5.096 -4.077 702 HE2 LYS 14 HE3 LYS 14 10.669 -6.990 -3.849 703 HE3 LYS 14 HE2 LYS 14 10.562 -6.169 -2.276 704 HZ1 LYS 14 HZ1 LYS 14 10.383 -8.620 -2.252 705 HZ2 LYS 14 HZ2 LYS 14 9.128 -7.830 -1.499 706 HZ3 LYS 14 HZ3 LYS 14 8.910 -8.484 -3.022 707 H LYS 15 H LYS 15 3.530 -4.190 -3.085 708 HA LYS 15 HA LYS 15 3.784 -1.539 -4.127 709 HB2 LYS 15 HB3 LYS 15 1.429 -3.479 -4.044 710 HB3 LYS 15 HB2 LYS 15 1.330 -1.832 -4.702 711 HG2 LYS 15 HG3 LYS 15 1.759 -3.125 -6.608 712 HG3 LYS 15 HG2 LYS 15 3.369 -2.509 -6.168 713 HD2 LYS 15 HD3 LYS 15 3.474 -4.923 -6.658 714 HD3 LYS 15 HD2 LYS 15 3.787 -4.659 -4.923 715 HE2 LYS 15 HE3 LYS 15 1.499 -5.262 -4.363 716 HE3 LYS 15 HE2 LYS 15 1.032 -5.275 -6.080 717 HZ1 LYS 15 HZ1 LYS 15 2.466 -7.098 -6.446 718 HZ2 LYS 15 HZ2 LYS 15 3.027 -7.060 -4.871 719 HZ3 LYS 15 HZ3 LYS 15 1.439 -7.474 -5.186 720 H ALA 16 H ALA 16 2.884 -2.820 -1.062 721 HA ALA 16 HA ALA 16 0.920 -0.839 -0.500 722 HB1 ALA 16 HB1 ALA 16 2.721 -2.503 1.322 723 HB2 ALA 16 HB2 ALA 16 1.320 -1.541 1.851 724 HB3 ALA 16 HB3 ALA 16 1.082 -2.953 0.795 725 H LEU 17 H LEU 17 4.420 -1.277 0.273 726 HA LEU 17 HA LEU 17 4.659 1.224 1.520 727 HB2 LEU 17 HB3 LEU 17 6.493 -0.806 0.231 728 HB3 LEU 17 HB2 LEU 17 7.141 0.784 0.701 729 HG LEU 17 HG LEU 17 6.499 0.475 3.000 730 HD11 LEU 17 HD11 LEU 17 4.304 -0.572 2.572 731 HD12 LEU 17 HD12 LEU 17 5.113 -2.067 2.042 732 HD13 LEU 17 HD13 LEU 17 5.245 -1.534 3.735 733 HD21 LEU 17 HD21 LEU 17 8.572 -0.685 2.357 734 HD22 LEU 17 HD22 LEU 17 7.696 -1.647 3.572 735 HD23 LEU 17 HD23 LEU 17 7.638 -2.117 1.858 736 H ASP 18 H ASP 18 4.931 0.190 -1.926 737 HA ASP 18 HA ASP 18 5.986 2.700 -2.668 738 HB2 ASP 18 HB3 ASP 18 6.212 0.646 -4.071 739 HB3 ASP 18 HB2 ASP 18 4.454 0.684 -4.360 740 H LEU 19 H LEU 19 2.779 1.762 -1.713 741 HA LEU 19 HA LEU 19 1.578 3.624 -3.508 742 HB2 LEU 19 HB3 LEU 19 0.611 1.438 -2.231 743 HB3 LEU 19 HB2 LEU 19 0.105 2.702 -1.083 744 HG LEU 19 HG LEU 19 -0.901 3.970 -3.003 745 HD11 LEU 19 HD11 LEU 19 -1.087 2.758 -5.191 746 HD12 LEU 19 HD12 LEU 19 0.601 3.132 -4.762 747 HD13 LEU 19 HD13 LEU 19 -0.031 1.482 -4.542 748 HD21 LEU 19 HD21 LEU 19 -2.372 2.444 -1.776 749 HD22 LEU 19 HD22 LEU 19 -2.758 2.367 -3.508 750 HD23 LEU 19 HD23 LEU 19 -1.806 1.066 -2.753 751 H ALA 20 H ALA 20 3.484 4.116 -0.762 752 HA ALA 20 HA ALA 20 1.700 6.227 0.150 753 HB1 ALA 20 HB1 ALA 20 4.155 4.949 1.416 754 HB2 ALA 20 HB2 ALA 20 3.189 6.257 2.141 755 HB3 ALA 20 HB3 ALA 20 2.454 4.666 1.857 756 H PHE 21 H PHE 21 4.091 6.314 -2.174 757 HA PHE 21 HA PHE 21 5.800 8.219 -1.021 758 HB2 PHE 21 HB3 PHE 21 5.098 7.446 -3.860 759 HB3 PHE 21 HB2 PHE 21 6.183 8.811 -3.494 760 HD1 PHE 21 HD1 PHE 21 5.708 5.269 -2.473 761 HD2 PHE 21 HD2 PHE 21 8.353 8.403 -3.245 762 HE1 PHE 21 HE1 PHE 21 7.578 3.802 -2.065 763 HE2 PHE 21 HE2 PHE 21 10.220 6.929 -2.875 764 HZ PHE 21 HZ PHE 21 9.831 4.628 -2.268 765 H TYR 22 H TYR 22 4.176 9.641 0.071 766 HA TYR 22 HA TYR 22 3.435 11.715 -1.823 767 HB2 TYR 22 HB2 TYR 22 1.332 12.093 -0.799 768 HB3 TYR 22 HB3 TYR 22 1.432 10.345 -1.111 769 HD1 TYR 22 HD1 TYR 22 1.785 12.913 1.467 770 HD2 TYR 22 HD2 TYR 22 1.303 8.847 0.655 771 HE1 TYR 22 HE1 TYR 22 1.351 12.503 3.801 772 HE2 TYR 22 HE2 TYR 22 0.821 8.446 2.976 773 HH TYR 22 HH TYR 22 0.823 10.965 5.509 774 H PHE 23 H PHE 23 5.496 12.734 -0.984 775 HA PHE 23 HA PHE 23 6.568 14.154 0.373 776 HB2 PHE 23 HB3 PHE 23 3.775 14.547 1.531 777 HB3 PHE 23 HB2 PHE 23 5.159 15.638 1.749 778 HD1 PHE 23 HD1 PHE 23 6.272 16.372 -0.512 779 HD2 PHE 23 HD2 PHE 23 2.356 14.967 -0.169 780 HE1 PHE 23 HE1 PHE 23 5.695 17.466 -2.581 781 HE2 PHE 23 HE2 PHE 23 1.780 16.058 -2.239 782 HZ PHE 23 HZ PHE 23 3.453 17.300 -3.450 783 H ASP 24 H ASP 24 4.144 13.155 2.921 784 HA ASP 24 HA ASP 24 6.552 12.646 4.465 785 HB2 ASP 24 HB3 ASP 24 3.614 12.819 5.282 786 HB3 ASP 24 HB2 ASP 24 4.980 12.565 6.393 787 H ARG 25 H ARG 25 4.356 10.898 2.602 788 HA ARG 25 HA ARG 25 3.779 8.724 2.481 789 HB2 ARG 25 HB3 ARG 25 6.524 8.386 3.786 790 HB3 ARG 25 HB2 ARG 25 5.629 7.163 2.868 791 HG2 ARG 25 HG3 ARG 25 6.973 7.830 1.184 792 HG3 ARG 25 HG2 ARG 25 5.734 9.093 0.984 793 HD2 ARG 25 HD3 ARG 25 7.054 10.608 2.419 794 HD3 ARG 25 HD2 ARG 25 8.257 9.332 2.680 795 HE ARG 25 HE ARG 25 7.914 9.833 -0.067 796 HH11 ARG 25 HH11 ARG 25 9.215 11.080 2.905 797 HH12 ARG 25 HH12 ARG 25 10.445 11.969 2.184 798 HH21 ARG 25 HH21 ARG 25 9.625 11.070 -1.075 799 HH22 ARG 25 HH22 ARG 25 10.681 11.962 -0.121 800 H ARG 26 H ARG 26 4.651 6.566 4.143 801 HA ARG 26 HA ARG 26 3.595 7.322 6.771 802 HB2 ARG 26 HB3 ARG 26 3.262 4.768 5.120 803 HB3 ARG 26 HB2 ARG 26 3.160 4.761 6.889 804 HG2 ARG 26 HG3 ARG 26 0.923 4.894 6.075 805 HG3 ARG 26 HG2 ARG 26 1.326 6.492 6.731 806 HD2 ARG 26 HD3 ARG 26 1.633 7.412 4.542 807 HD3 ARG 26 HD2 ARG 26 1.645 5.801 3.788 808 HE ARG 26 HE ARG 26 -0.595 5.925 3.714 809 HH11 ARG 26 HH11 ARG 26 0.559 8.108 6.190 810 HH12 ARG 26 HH12 ARG 26 -0.970 8.665 6.604 811 HH21 ARG 26 HH21 ARG 26 -2.674 6.719 4.291 812 HH22 ARG 26 HH22 ARG 26 -2.833 7.894 5.482 813 H LEU 27 H LEU 27 6.173 7.851 6.231 814 HA LEU 27 HA LEU 27 7.575 5.371 6.899 815 HB2 LEU 27 HB3 LEU 27 7.943 6.579 4.667 816 HB3 LEU 27 HB2 LEU 27 8.706 7.883 5.596 817 HG LEU 27 HG LEU 27 10.278 6.158 4.593 818 HD11 LEU 27 HD11 LEU 27 11.717 6.010 6.544 819 HD12 LEU 27 HD12 LEU 27 10.910 7.596 6.533 820 HD13 LEU 27 HD13 LEU 27 10.343 6.312 7.628 821 HD21 LEU 27 HD21 LEU 27 10.461 3.982 5.759 822 HD22 LEU 27 HD22 LEU 27 9.039 4.392 6.747 823 HD23 LEU 27 HD23 LEU 27 8.867 4.170 4.989 824 H THR 28 H THR 28 6.215 7.279 8.799 825 HA THR 28 HA THR 28 8.669 8.165 10.137 826 HB THR 28 HB THR 28 7.202 9.730 11.367 827 HG1 THR 28 HG1 THR 28 5.015 9.805 10.789 828 HG21 THR 28 HG21 THR 28 6.442 11.143 9.477 829 HG22 THR 28 HG22 THR 28 8.050 10.454 9.146 830 HG23 THR 28 HG23 THR 28 6.607 9.756 8.373 831 HA PRO 29 HA PRO 29 8.151 5.076 13.125 832 HB2 PRO 29 HB3 PRO 29 7.625 7.297 15.120 833 HB3 PRO 29 HB2 PRO 29 8.646 5.834 15.320 834 HG2 PRO 29 HG3 PRO 29 9.817 8.180 14.700 835 HG3 PRO 29 HG2 PRO 29 10.308 6.697 13.818 836 HD2 PRO 29 HD3 PRO 29 8.471 8.916 12.894 837 HD3 PRO 29 HD2 PRO 29 9.688 7.981 11.962 838 H GLU 30 H GLU 30 5.771 7.675 13.691 839 HA GLU 30 HA GLU 30 3.919 5.998 14.897 840 HB2 GLU 30 HB3 GLU 30 3.805 8.467 14.946 841 HB3 GLU 30 HB2 GLU 30 3.478 8.490 13.197 842 HG2 GLU 30 HG3 GLU 30 1.411 7.202 13.539 843 HG3 GLU 30 HG2 GLU 30 1.753 7.075 15.281 844 H TRP 31 H TRP 31 4.595 6.578 11.406 845 HA TRP 31 HA TRP 31 2.226 4.943 10.966 846 HB2 TRP 31 HB3 TRP 31 3.755 6.838 9.143 847 HB3 TRP 31 HB2 TRP 31 2.424 5.777 8.611 848 HD1 TRP 31 HD1 TRP 31 3.022 8.798 10.933 849 HE1 TRP 31 HE1 TRP 31 0.816 9.875 11.415 850 HE3 TRP 31 HE3 TRP 31 0.122 5.448 8.683 851 HZ2 TRP 31 HZ2 TRP 31 -1.838 9.321 10.886 852 HZ3 TRP 31 HZ3 TRP 31 -2.282 5.776 8.690 853 HH2 TRP 31 HH2 TRP 31 -3.248 7.684 9.786 854 H ARG 32 H ARG 32 5.508 4.409 11.297 855 HA ARG 32 HA ARG 32 5.696 2.528 9.106 856 HB2 ARG 32 HB3 ARG 32 7.298 2.974 11.672 857 HB3 ARG 32 HB2 ARG 32 7.678 1.719 10.473 858 HG2 ARG 32 HG3 ARG 32 8.198 3.351 8.787 859 HG3 ARG 32 HG2 ARG 32 7.518 4.668 9.760 860 HD2 ARG 32 HD3 ARG 32 9.253 4.045 11.554 861 HD3 ARG 32 HD2 ARG 32 10.041 3.054 10.305 862 HE ARG 32 HE ARG 32 9.656 5.552 9.218 863 HH11 ARG 32 HH11 ARG 32 11.306 4.101 11.926 864 HH12 ARG 32 HH12 ARG 32 12.498 5.281 12.012 865 HH21 ARG 32 HH21 ARG 32 11.285 7.151 9.338 866 HH22 ARG 32 HH22 ARG 32 12.501 7.044 10.495 867 H ARG 33 H ARG 33 5.061 2.710 12.595 868 HA ARG 33 HA ARG 33 4.650 -0.020 13.023 869 HB2 ARG 33 HB3 ARG 33 5.026 1.759 14.758 870 HB3 ARG 33 HB2 ARG 33 3.409 2.404 14.392 871 HG2 ARG 33 HG3 ARG 33 2.435 0.165 14.976 872 HG3 ARG 33 HG2 ARG 33 4.064 -0.387 15.439 873 HD2 ARG 33 HD3 ARG 33 2.541 1.965 16.657 874 HD3 ARG 33 HD2 ARG 33 2.836 0.390 17.432 875 HE ARG 33 HE ARG 33 5.229 0.970 17.270 876 HH11 ARG 33 HH11 ARG 33 2.751 3.411 17.100 877 HH12 ARG 33 HH12 ARG 33 3.725 4.658 17.664 878 HH21 ARG 33 HH21 ARG 33 6.572 2.696 18.047 879 HH22 ARG 33 HH22 ARG 33 5.940 4.244 18.212 880 H TYR 34 H TYR 34 2.524 2.648 11.997 881 HA TYR 34 HA TYR 34 0.072 1.602 12.387 882 HB2 TYR 34 HB3 TYR 34 0.523 3.858 11.494 883 HB3 TYR 34 HB2 TYR 34 1.131 3.136 9.983 884 HD1 TYR 34 HD2 TYR 34 -1.863 3.130 12.144 885 HD2 TYR 34 HD1 TYR 34 -0.323 2.751 8.282 886 HE1 TYR 34 HE2 TYR 34 -4.104 3.008 11.263 887 HE2 TYR 34 HE1 TYR 34 -2.563 2.616 7.402 888 HH TYR 34 HH TYR 34 -4.891 2.585 7.813 889 H LEU 35 H LEU 35 2.084 0.993 9.386 890 HA LEU 35 HA LEU 35 -0.053 -0.859 8.768 891 HB2 LEU 35 HB3 LEU 35 0.712 -0.921 6.534 892 HB3 LEU 35 HB2 LEU 35 0.807 0.789 7.004 893 HG LEU 35 HG LEU 35 3.177 -1.117 7.230 894 HD11 LEU 35 HD11 LEU 35 2.409 0.687 4.910 895 HD12 LEU 35 HD12 LEU 35 3.939 -0.208 5.062 896 HD13 LEU 35 HD13 LEU 35 2.402 -1.092 4.890 897 HD21 LEU 35 HD21 LEU 35 3.256 1.031 8.505 898 HD22 LEU 35 HD22 LEU 35 4.461 0.993 7.196 899 HD23 LEU 35 HD23 LEU 35 2.954 1.919 6.993 900 H SER 36 H SER 36 3.285 -0.887 9.911 901 HA SER 36 HA SER 36 3.952 -3.398 8.922 902 HB2 SER 36 HB3 SER 36 5.584 -3.423 10.748 903 HB3 SER 36 HB2 SER 36 5.502 -1.774 10.088 904 HG SER 36 HG SER 36 5.425 -1.937 12.387 905 H GLN 37 H GLN 37 1.916 -2.389 11.622 906 HA GLN 37 HA GLN 37 1.804 -4.654 13.118 907 HB2 GLN 37 HB3 GLN 37 0.632 -2.523 13.606 908 HB3 GLN 37 HB2 GLN 37 -0.481 -2.827 12.250 909 HG2 GLN 37 HG3 GLN 37 -1.242 -4.918 13.340 910 HG3 GLN 37 HG2 GLN 37 -0.122 -4.621 14.692 911 HE21 GLN 37 HE21 GLN 37 -2.575 -4.790 15.639 912 HE22 GLN 37 HE22 GLN 37 -3.279 -3.282 15.869 913 H ARG 38 H ARG 38 -0.081 -3.988 10.081 914 HA ARG 38 HA ARG 38 -0.866 -6.793 10.326 915 HB2 ARG 38 HB3 ARG 38 -2.156 -4.494 8.794 916 HB3 ARG 38 HB2 ARG 38 -2.693 -6.190 8.736 917 HG2 ARG 38 HG3 ARG 38 -2.993 -6.146 11.222 918 HG3 ARG 38 HG2 ARG 38 -2.564 -4.419 11.214 919 HD2 ARG 38 HD3 ARG 38 -5.001 -4.649 11.215 920 HD3 ARG 38 HD2 ARG 38 -4.478 -3.999 9.643 921 HE ARG 38 HE ARG 38 -4.557 -6.752 9.424 922 HH11 ARG 38 HH11 ARG 38 -6.671 -4.076 10.100 923 HH12 ARG 38 HH12 ARG 38 -8.030 -4.768 9.396 924 HH21 ARG 38 HH21 ARG 38 -6.452 -7.713 8.435 925 HH22 ARG 38 HH22 ARG 38 -7.900 -6.864 8.438 926 H LEU 39 H LEU 39 1.429 -4.922 8.737 927 HA LEU 39 HA LEU 39 1.038 -6.115 6.169 928 HB2 LEU 39 HB3 LEU 39 2.208 -3.892 6.629 929 HB3 LEU 39 HB2 LEU 39 3.572 -4.841 7.270 930 HG LEU 39 HG LEU 39 3.707 -6.052 5.085 931 HD11 LEU 39 HD11 LEU 39 1.324 -5.871 4.470 932 HD12 LEU 39 HD12 LEU 39 1.482 -4.104 4.325 933 HD13 LEU 39 HD13 LEU 39 2.338 -5.169 3.186 934 HD21 LEU 39 HD21 LEU 39 3.661 -3.011 4.789 935 HD22 LEU 39 HD22 LEU 39 5.027 -3.960 5.421 936 HD23 LEU 39 HD23 LEU 39 4.523 -4.149 3.726 937 H GLY 40 H GLY 40 3.170 -6.691 9.038 938 HA2 GLY 40 HA3 GLY 40 3.265 -9.082 9.530 939 HA3 GLY 40 HA2 GLY 40 3.604 -9.320 7.806 940 H LEU 41 H LEU 41 5.335 -6.577 8.432 941 HA LEU 41 HA LEU 41 7.501 -8.173 9.569 942 HB2 LEU 41 HB3 LEU 41 9.024 -6.794 8.051 943 HB3 LEU 41 HB2 LEU 41 8.087 -8.095 7.291 944 HG LEU 41 HG LEU 41 8.165 -5.777 6.109 945 HD11 LEU 41 HD11 LEU 41 5.466 -7.069 6.677 946 HD12 LEU 41 HD12 LEU 41 5.930 -6.141 5.234 947 HD13 LEU 41 HD13 LEU 41 6.681 -7.721 5.551 948 HD21 LEU 41 HD21 LEU 41 6.361 -4.244 6.855 949 HD22 LEU 41 HD22 LEU 41 6.055 -5.285 8.263 950 HD23 LEU 41 HD23 LEU 41 7.606 -4.428 8.106 951 H ASN 42 H ASN 42 9.366 -6.534 10.299 952 HA ASN 42 HA ASN 42 8.005 -4.833 12.130 953 HB2 ASN 42 HB3 ASN 42 10.931 -5.397 11.532 954 HB3 ASN 42 HB2 ASN 42 10.404 -4.255 12.791 955 HD21 ASN 42 HD21 ASN 42 10.532 -5.248 14.781 956 HD22 ASN 42 HD22 ASN 42 10.045 -6.828 15.075 957 H GLU 43 H GLU 43 9.111 -2.546 12.479 958 HA GLU 43 HA GLU 43 8.422 -1.051 10.209 959 HB2 GLU 43 HB3 GLU 43 10.072 -0.251 12.650 960 HB3 GLU 43 HB2 GLU 43 9.317 0.860 11.488 961 HG2 GLU 43 HG3 GLU 43 7.865 0.711 13.417 962 HG3 GLU 43 HG2 GLU 43 7.076 -0.170 12.087 963 H GLU 44 H GLU 44 11.425 -2.501 11.320 964 HA GLU 44 HA GLU 44 13.207 -0.896 9.912 965 HB2 GLU 44 HB3 GLU 44 13.846 -2.584 11.610 966 HB3 GLU 44 HB2 GLU 44 13.275 -3.884 10.537 967 HG2 GLU 44 HG3 GLU 44 14.933 -3.249 8.839 968 HG3 GLU 44 HG2 GLU 44 15.461 -1.874 9.838 969 H GLN 45 H GLN 45 11.178 -3.690 8.893 970 HA GLN 45 HA GLN 45 12.554 -3.832 6.413 971 HB2 GLN 45 HB3 GLN 45 9.861 -4.942 7.308 972 HB3 GLN 45 HB2 GLN 45 10.758 -5.442 5.854 973 HG2 GLN 45 HG3 GLN 45 11.751 -5.665 8.730 974 HG3 GLN 45 HG2 GLN 45 11.159 -7.013 7.735 975 HE21 GLN 45 HE21 GLN 45 12.363 -6.944 5.385 976 HE22 GLN 45 HE22 GLN 45 14.031 -6.807 5.527 977 H ILE 46 H ILE 46 10.212 -1.636 7.652 978 HA ILE 46 HA ILE 46 8.953 -1.201 5.106 979 HB ILE 46 HB ILE 46 9.095 0.529 7.623 980 HG12 ILE 46 HG13 ILE 46 7.983 -1.669 8.020 981 HG13 ILE 46 HG12 ILE 46 6.835 -0.311 8.104 982 HG21 ILE 46 HG21 ILE 46 7.149 1.681 6.626 983 HG22 ILE 46 HG22 ILE 46 8.560 1.770 5.543 984 HG23 ILE 46 HG23 ILE 46 7.246 0.620 5.200 985 HD11 ILE 46 HD11 ILE 46 7.285 -2.134 5.700 986 HD12 ILE 46 HD12 ILE 46 5.872 -2.150 6.783 987 HD13 ILE 46 HD13 ILE 46 6.177 -0.741 5.741 988 H GLU 47 H GLU 47 11.406 0.315 7.231 989 HA GLU 47 HA GLU 47 12.045 2.392 5.472 990 HB2 GLU 47 HB3 GLU 47 13.642 0.933 7.626 991 HB3 GLU 47 HB2 GLU 47 14.131 2.468 6.870 992 HG2 GLU 47 HG3 GLU 47 12.097 3.564 7.691 993 HG3 GLU 47 HG2 GLU 47 11.508 2.025 8.366 994 H ARG 48 H ARG 48 13.139 -1.016 5.646 995 HA ARG 48 HA ARG 48 15.387 -0.476 3.991 996 HB2 ARG 48 HB3 ARG 48 14.086 -2.817 5.265 997 HB3 ARG 48 HB2 ARG 48 14.884 -3.150 3.711 998 HG2 ARG 48 HG3 ARG 48 16.458 -3.457 5.576 999 HG3 ARG 48 HG2 ARG 48 16.965 -2.123 4.520 1000 HD2 ARG 48 HD3 ARG 48 16.063 -0.482 6.117 1001 HD3 ARG 48 HD2 ARG 48 15.466 -1.802 7.155 1002 HE ARG 48 HE ARG 48 18.154 -2.237 6.725 1003 HH11 ARG 48 HH11 ARG 48 16.044 0.130 8.168 1004 HH12 ARG 48 HH12 ARG 48 17.129 0.585 9.367 1005 HH21 ARG 48 HH21 ARG 48 19.639 -1.612 8.379 1006 HH22 ARG 48 HH22 ARG 48 19.216 -0.425 9.489 1007 H TRP 49 H TRP 49 12.068 -1.909 3.265 1008 HA TRP 49 HA TRP 49 12.941 -2.151 0.579 1009 HB2 TRP 49 HB3 TRP 49 11.062 -3.503 1.408 1010 HB3 TRP 49 HB2 TRP 49 10.092 -2.026 1.636 1011 HD1 TRP 49 HD1 TRP 49 8.561 -1.669 -0.469 1012 HE1 TRP 49 HE1 TRP 49 8.800 -1.972 -2.944 1013 HE3 TRP 49 HE3 TRP 49 13.143 -3.584 -0.477 1014 HZ2 TRP 49 HZ2 TRP 49 10.760 -2.908 -4.664 1015 HZ3 TRP 49 HZ3 TRP 49 14.181 -4.160 -2.593 1016 HH2 TRP 49 HH2 TRP 49 12.999 -3.828 -4.658 1017 H PHE 50 H PHE 50 11.427 0.423 2.472 1018 HA PHE 50 HA PHE 50 10.482 1.972 0.397 1019 HB2 PHE 50 HB3 PHE 50 10.116 2.397 2.834 1020 HB3 PHE 50 HB2 PHE 50 11.837 2.810 2.995 1021 HD1 PHE 50 HD2 PHE 50 8.824 3.748 1.084 1022 HD2 PHE 50 HD1 PHE 50 12.483 4.985 2.668 1023 HE1 PHE 50 HE2 PHE 50 8.317 6.024 0.479 1024 HE2 PHE 50 HE1 PHE 50 11.982 7.259 2.046 1025 HZ PHE 50 HZ PHE 50 9.895 7.780 0.959 1026 H ARG 51 H ARG 51 13.780 2.050 1.953 1027 HA ARG 51 HA ARG 51 14.512 3.924 -0.061 1028 HB2 ARG 51 HB3 ARG 51 16.674 3.980 1.011 1029 HB3 ARG 51 HB2 ARG 51 15.381 4.072 2.222 1030 HG2 ARG 51 HG3 ARG 51 16.653 2.502 3.270 1031 HG3 ARG 51 HG2 ARG 51 15.773 1.384 2.201 1032 HD2 ARG 51 HD3 ARG 51 17.614 1.522 0.554 1033 HD3 ARG 51 HD2 ARG 51 18.462 2.702 1.576 1034 HE ARG 51 HE ARG 51 17.893 -0.027 2.474 1035 HH11 ARG 51 HH11 ARG 51 19.925 2.761 2.013 1036 HH12 ARG 51 HH12 ARG 51 21.253 2.119 2.816 1037 HH21 ARG 51 HH21 ARG 51 19.730 -0.913 3.587 1038 HH22 ARG 51 HH22 ARG 51 21.140 -0.010 3.729 1039 H ARG 52 H ARG 52 15.034 0.371 0.371 1040 HA ARG 52 HA ARG 52 16.925 0.302 -1.698 1041 HB2 ARG 52 HB3 ARG 52 14.972 -1.787 -0.667 1042 HB3 ARG 52 HB2 ARG 52 16.255 -2.134 -1.848 1043 HG2 ARG 52 HG3 ARG 52 16.891 -0.825 0.817 1044 HG3 ARG 52 HG2 ARG 52 16.742 -2.590 0.659 1045 HD2 ARG 52 HD3 ARG 52 19.069 -2.061 0.358 1046 HD3 ARG 52 HD2 ARG 52 18.410 -2.501 -1.233 1047 HE ARG 52 HE ARG 52 18.298 0.292 -0.742 1048 HH11 ARG 52 HH11 ARG 52 20.314 -2.403 -1.613 1049 HH12 ARG 52 HH12 ARG 52 21.416 -1.497 -2.500 1050 HH21 ARG 52 HH21 ARG 52 19.822 1.550 -1.975 1051 HH22 ARG 52 HH22 ARG 52 21.129 0.795 -2.712 1052 H LYS 53 H LYS 53 13.511 0.932 -1.891 1053 HA LYS 53 HA LYS 53 13.301 -0.223 -4.496 1054 HB2 LYS 53 HB3 LYS 53 11.355 -0.016 -2.975 1055 HB3 LYS 53 HB2 LYS 53 11.517 1.756 -3.021 1056 HG2 LYS 53 HG3 LYS 53 11.076 1.793 -5.408 1057 HG3 LYS 53 HG2 LYS 53 11.113 0.015 -5.494 1058 HD2 LYS 53 HD3 LYS 53 8.785 1.037 -5.404 1059 HD3 LYS 53 HD2 LYS 53 9.115 -0.170 -4.137 1060 HE2 LYS 53 HE3 LYS 53 9.575 2.802 -3.702 1061 HE3 LYS 53 HE2 LYS 53 7.999 2.033 -3.396 1062 HZ1 LYS 53 HZ1 LYS 53 9.339 2.106 -1.433 1063 HZ2 LYS 53 HZ2 LYS 53 9.052 0.532 -1.901 1064 HZ3 LYS 53 HZ3 LYS 53 10.546 1.221 -2.169 1065 H GLU 54 H GLU 54 14.172 2.902 -3.098 1066 HA GLU 54 HA GLU 54 14.015 4.046 -5.770 1067 HB2 GLU 54 HB3 GLU 54 14.138 6.217 -4.556 1068 HB3 GLU 54 HB2 GLU 54 12.753 5.221 -4.059 1069 HG2 GLU 54 HG3 GLU 54 14.133 4.387 -2.120 1070 HG3 GLU 54 HG2 GLU 54 15.377 5.582 -2.556 1071 H GLN 55 H GLN 55 16.293 3.783 -2.973 1072 HA GLN 55 HA GLN 55 18.326 5.145 -4.289 1073 HB2 GLN 55 HB3 GLN 55 18.440 2.946 -2.173 1074 HB3 GLN 55 HB2 GLN 55 19.784 4.028 -2.599 1075 HG2 GLN 55 HG3 GLN 55 17.092 4.914 -1.467 1076 HG3 GLN 55 HG2 GLN 55 18.611 4.776 -0.555 1077 HE21 GLN 55 HE21 GLN 55 16.697 7.077 -1.864 1078 HE22 GLN 55 HE22 GLN 55 17.879 8.177 -2.328 1079 H GLN 56 H GLN 56 17.121 1.884 -4.813 1080 HA GLN 56 HA GLN 56 19.584 0.804 -5.634 1081 HB2 GLN 56 HB3 GLN 56 17.608 -0.578 -5.084 1082 HB3 GLN 56 HB2 GLN 56 16.734 0.115 -6.472 1083 HG2 GLN 56 HG3 GLN 56 17.736 -2.084 -7.040 1084 HG3 GLN 56 HG2 GLN 56 18.461 -0.779 -8.007 1085 HE21 GLN 56 HE21 GLN 56 19.030 -2.183 -4.703 1086 HE22 GLN 56 HE22 GLN 56 20.691 -2.299 -4.925 1087 H ILE 57 H ILE 57 17.130 2.822 -7.289 1088 HA ILE 57 HA ILE 57 18.599 2.258 -9.724 1089 HB ILE 57 HB ILE 57 16.619 2.507 -10.767 1090 HG12 ILE 57 HG13 ILE 57 15.214 4.650 -10.296 1091 HG13 ILE 57 HG12 ILE 57 16.622 5.199 -9.360 1092 HG21 ILE 57 HG21 ILE 57 15.811 1.502 -8.639 1093 HG22 ILE 57 HG22 ILE 57 15.533 3.135 -7.988 1094 HG23 ILE 57 HG23 ILE 57 14.587 2.560 -9.382 1095 HD11 ILE 57 HD11 ILE 57 18.051 4.829 -11.385 1096 HD12 ILE 57 HD12 ILE 57 16.612 4.297 -12.282 1097 HD13 ILE 57 HD13 ILE 57 16.737 5.978 -11.720 1098 H GLY 58 H GLY 58 18.362 4.657 -7.216 1099 HA2 GLY 58 HA3 GLY 58 20.315 6.206 -7.482 1100 HA3 GLY 58 HA2 GLY 58 19.638 6.499 -9.101 1101 H TRP 59 H TRP 59 17.177 5.919 -6.848 1102 HA TRP 59 HA TRP 59 15.752 7.174 -5.710 1103 HB2 TRP 59 HB3 TRP 59 17.686 8.070 -4.501 1104 HB3 TRP 59 HB2 TRP 59 17.967 9.252 -5.798 1105 HD1 TRP 59 HD1 TRP 59 15.114 8.386 -3.317 1106 HE1 TRP 59 HE1 TRP 59 13.901 10.510 -2.779 1107 HE3 TRP 59 HE3 TRP 59 17.609 11.391 -6.390 1108 HZ2 TRP 59 HZ2 TRP 59 14.032 13.146 -3.591 1109 HZ3 TRP 59 HZ3 TRP 59 17.023 13.745 -6.468 1110 HH2 TRP 59 HH2 TRP 59 15.258 14.609 -5.086 1111 H SER 60 H SER 60 16.339 7.713 -8.925 1112 HA SER 60 HA SER 60 14.882 10.217 -8.893 1113 HB2 SER 60 HB3 SER 60 15.062 10.114 -11.321 1114 HB3 SER 60 HB2 SER 60 16.658 9.767 -10.614 1115 HG SER 60 HG SER 60 16.166 7.562 -10.805 1116 H HIS 61 H HIS 61 14.386 6.850 -10.139 1117 HA HIS 61 HA HIS 61 11.552 7.405 -9.666 1118 HB2 HIS 61 HB3 HIS 61 12.827 5.787 -11.918 1119 HB3 HIS 61 HB2 HIS 61 11.086 5.889 -11.571 1120 HD1 HIS 61 HD1 HIS 61 13.883 8.335 -12.379 1121 HD2 HIS 61 HD2 HIS 61 9.844 7.793 -12.763 1122 HE1 HIS 61 HE1 HIS 61 12.997 10.247 -13.733 1123 HE2 HIS 61 HE2 HIS 61 10.529 9.895 -13.957 1124 HA PRO 62 HA PRO 62 12.147 3.842 -7.000 1125 HB2 PRO 62 HB3 PRO 62 9.141 3.995 -7.254 1126 HB3 PRO 62 HB2 PRO 62 10.128 3.718 -5.783 1127 HG2 PRO 62 HG3 PRO 62 9.067 6.163 -6.244 1128 HG3 PRO 62 HG2 PRO 62 10.758 6.012 -5.665 1129 HD2 PRO 62 HD3 PRO 62 9.783 6.548 -8.483 1130 HD3 PRO 62 HD2 PRO 62 11.179 7.251 -7.606 1131 H GLN 63 H GLN 63 12.101 1.681 -7.522 1132 HA GLN 63 HA GLN 63 11.950 0.984 -10.119 1133 HB2 GLN 63 HB3 GLN 63 11.559 -0.731 -7.645 1134 HB3 GLN 63 HB2 GLN 63 11.787 -1.386 -9.284 1135 HG2 GLN 63 HG3 GLN 63 13.962 -0.230 -9.470 1136 HG3 GLN 63 HG2 GLN 63 13.713 0.491 -7.864 1137 HE21 GLN 63 HE21 GLN 63 12.785 -1.583 -6.317 1138 HE22 GLN 63 HE22 GLN 63 13.928 -2.814 -6.290 1139 H PHE 64 H PHE 64 9.033 1.321 -8.097 1140 HA PHE 64 HA PHE 64 7.727 -0.480 -9.924 1141 HB2 PHE 64 HB3 PHE 64 6.779 1.178 -7.567 1142 HB3 PHE 64 HB2 PHE 64 5.648 0.351 -8.666 1143 HD1 PHE 64 HD1 PHE 64 8.819 -0.446 -6.918 1144 HD2 PHE 64 HD2 PHE 64 5.011 -1.716 -8.052 1145 HE1 PHE 64 HE1 PHE 64 9.174 -2.535 -5.774 1146 HE2 PHE 64 HE2 PHE 64 5.371 -3.809 -6.916 1147 HZ PHE 64 HZ PHE 64 7.451 -4.218 -5.771 1148 H GLU 65 H GLU 65 8.409 2.978 -9.817 1149 HA GLU 65 HA GLU 65 6.436 3.128 -11.981 1150 HB2 GLU 65 HB3 GLU 65 6.290 5.523 -11.557 1151 HB3 GLU 65 HB2 GLU 65 5.920 4.630 -10.066 1152 HG2 GLU 65 HG3 GLU 65 8.215 5.009 -9.251 1153 HG3 GLU 65 HG2 GLU 65 8.624 5.860 -10.761 1154 H LYS 66 H LYS 66 9.671 2.645 -11.608 1155 HA LYS 66 HA LYS 66 10.665 4.722 -13.219 1156 HB2 LYS 66 HB3 LYS 66 12.609 3.290 -13.533 1157 HB3 LYS 66 HB2 LYS 66 12.085 3.167 -11.836 1158 HG2 LYS 66 HG3 LYS 66 10.861 1.080 -12.373 1159 HG3 LYS 66 HG2 LYS 66 11.381 1.205 -14.068 1160 HD2 LYS 66 HD3 LYS 66 13.733 1.011 -13.403 1161 HD3 LYS 66 HD2 LYS 66 13.274 1.008 -11.685 1162 HE2 LYS 66 HE3 LYS 66 13.671 -1.297 -12.444 1163 HE3 LYS 66 HE2 LYS 66 11.946 -1.074 -12.067 1164 HZ1 LYS 66 HZ1 LYS 66 13.161 -0.925 -14.743 1165 HZ2 LYS 66 HZ2 LYS 66 12.268 -2.201 -14.145 1166 HZ3 LYS 66 HZ3 LYS 66 11.543 -0.719 -14.391 Start of MODEL 4 1 H1 MET 1 H1 MET 1 -1.722 -18.399 -3.449 2 H2 MET 1 H2 MET 1 -1.886 -19.986 -2.961 3 H3 MET 1 H3 MET 1 -0.762 -18.993 -2.223 4 HA MET 1 HA MET 1 -3.673 -18.562 -2.158 5 HB2 MET 1 HB3 MET 1 -1.788 -19.722 -0.057 6 HB3 MET 1 HB2 MET 1 -3.516 -19.366 0.182 7 HG2 MET 1 HG3 MET 1 -2.380 -21.294 -1.890 8 HG3 MET 1 HG2 MET 1 -3.131 -21.776 -0.350 9 HE1 MET 1 HE1 MET 1 -6.640 -20.640 -0.474 10 HE2 MET 1 HE2 MET 1 -5.356 -21.586 0.315 11 HE3 MET 1 HE3 MET 1 -5.193 -19.820 0.160 12 H GLU 2 H GLU 2 -3.978 -17.168 -0.004 13 HA GLU 2 HA GLU 2 -3.666 -15.267 1.109 14 HB2 GLU 2 HB3 GLU 2 -0.814 -15.977 0.468 15 HB3 GLU 2 HB2 GLU 2 -1.206 -14.345 1.042 16 HG2 GLU 2 HG3 GLU 2 -0.672 -15.772 2.942 17 HG3 GLU 2 HG2 GLU 2 -2.390 -15.315 2.996 18 H LYS 3 H LYS 3 -1.866 -15.145 -2.046 19 HA LYS 3 HA LYS 3 -2.457 -12.398 -2.288 20 HB2 LYS 3 HB3 LYS 3 -1.606 -12.692 -4.583 21 HB3 LYS 3 HB2 LYS 3 -0.537 -13.458 -3.389 22 HG2 LYS 3 HG3 LYS 3 -0.643 -15.176 -4.904 23 HG3 LYS 3 HG2 LYS 3 -2.074 -15.592 -3.934 24 HD2 LYS 3 HD3 LYS 3 -2.592 -15.655 -6.353 25 HD3 LYS 3 HD2 LYS 3 -3.496 -14.339 -5.571 26 HE2 LYS 3 HE3 LYS 3 -1.775 -12.714 -6.303 27 HE3 LYS 3 HE2 LYS 3 -0.839 -14.034 -7.041 28 HZ1 LYS 3 HZ1 LYS 3 -3.537 -13.152 -7.812 29 HZ2 LYS 3 HZ2 LYS 3 -2.127 -12.941 -8.675 30 HZ3 LYS 3 HZ3 LYS 3 -2.742 -14.475 -8.452 31 H ARG 4 H ARG 4 -3.827 -11.799 -4.471 32 HA ARG 4 HA ARG 4 -6.275 -13.328 -3.991 33 HB2 ARG 4 HB3 ARG 4 -6.247 -10.902 -3.322 34 HB3 ARG 4 HB2 ARG 4 -5.876 -10.483 -5.008 35 HG2 ARG 4 HG3 ARG 4 -8.204 -10.220 -4.822 36 HG3 ARG 4 HG2 ARG 4 -8.012 -11.788 -5.638 37 HD2 ARG 4 HD3 ARG 4 -8.366 -11.469 -2.623 38 HD3 ARG 4 HD2 ARG 4 -9.720 -11.731 -3.741 39 HE ARG 4 HE ARG 4 -7.907 -13.700 -4.274 40 HH11 ARG 4 HH11 ARG 4 -9.788 -12.510 -1.603 41 HH12 ARG 4 HH12 ARG 4 -9.985 -14.008 -0.869 42 HH21 ARG 4 HH21 ARG 4 -8.171 -15.777 -3.254 43 HH22 ARG 4 HH22 ARG 4 -9.047 -15.902 -1.826 44 HA PRO 5 HA PRO 5 -5.642 -13.869 -8.417 45 HB2 PRO 5 HB3 PRO 5 -6.535 -16.416 -8.694 46 HB3 PRO 5 HB2 PRO 5 -4.942 -16.104 -7.927 47 HG2 PRO 5 HG3 PRO 5 -7.615 -16.601 -6.574 48 HG3 PRO 5 HG2 PRO 5 -6.033 -17.357 -6.206 49 HD2 PRO 5 HD3 PRO 5 -7.051 -15.170 -4.833 50 HD3 PRO 5 HD2 PRO 5 -5.294 -15.462 -5.038 51 H ARG 6 H ARG 6 -8.249 -13.656 -6.337 52 HA ARG 6 HA ARG 6 -10.174 -14.279 -8.398 53 HB2 ARG 6 HB3 ARG 6 -10.449 -13.443 -5.481 54 HB3 ARG 6 HB2 ARG 6 -11.806 -13.829 -6.567 55 HG2 ARG 6 HG3 ARG 6 -10.905 -16.100 -6.913 56 HG3 ARG 6 HG2 ARG 6 -9.530 -15.725 -5.846 57 HD2 ARG 6 HD3 ARG 6 -11.325 -16.959 -4.625 58 HD3 ARG 6 HD2 ARG 6 -11.072 -15.324 -3.971 59 HE ARG 6 HE ARG 6 -13.010 -14.700 -5.424 60 HH11 ARG 6 HH11 ARG 6 -12.496 -17.890 -4.117 61 HH12 ARG 6 HH12 ARG 6 -14.126 -18.292 -4.059 62 HH21 ARG 6 HH21 ARG 6 -15.255 -15.268 -5.350 63 HH22 ARG 6 HH22 ARG 6 -15.723 -16.774 -4.771 64 H THR 7 H THR 7 -8.302 -11.610 -7.782 65 HA THR 7 HA THR 7 -8.522 -9.444 -8.178 66 HB THR 7 HB THR 7 -9.928 -8.817 -10.091 67 HG1 THR 7 HG1 THR 7 -11.634 -10.244 -9.546 68 HG21 THR 7 HG21 THR 7 -8.828 -10.307 -11.728 69 HG22 THR 7 HG22 THR 7 -7.706 -9.849 -10.425 70 HG23 THR 7 HG23 THR 7 -8.453 -11.464 -10.429 71 H GLU 8 H GLU 8 -9.558 -9.705 -5.817 72 HA GLU 8 HA GLU 8 -11.616 -7.758 -5.842 73 HB2 GLU 8 HB3 GLU 8 -13.242 -9.092 -4.531 74 HB3 GLU 8 HB2 GLU 8 -13.018 -9.719 -6.177 75 HG2 GLU 8 HG3 GLU 8 -11.459 -11.439 -5.310 76 HG3 GLU 8 HG2 GLU 8 -11.713 -10.830 -3.655 77 H PHE 9 H PHE 9 -8.904 -8.175 -4.897 78 HA PHE 9 HA PHE 9 -7.561 -7.865 -3.239 79 HB2 PHE 9 HB3 PHE 9 -8.106 -6.148 -1.615 80 HB3 PHE 9 HB2 PHE 9 -8.498 -5.701 -3.282 81 HD1 PHE 9 HD2 PHE 9 -10.007 -6.854 -0.145 82 HD2 PHE 9 HD1 PHE 9 -10.628 -5.061 -3.860 83 HE1 PHE 9 HE2 PHE 9 -12.248 -6.263 0.515 84 HE2 PHE 9 HE1 PHE 9 -12.875 -4.484 -3.208 85 HZ PHE 9 HZ PHE 9 -13.684 -5.081 -1.018 86 H SER 10 H SER 10 -6.712 -8.954 -1.725 87 HA SER 10 HA SER 10 -8.453 -10.682 -0.164 88 HB2 SER 10 HB3 SER 10 -6.622 -11.729 -1.493 89 HB3 SER 10 HB2 SER 10 -5.438 -10.680 -0.687 90 HG SER 10 HG SER 10 -5.516 -12.716 0.222 91 H GLU 11 H GLU 11 -7.362 -11.163 2.105 92 HA GLU 11 HA GLU 11 -7.383 -8.715 3.487 93 HB2 GLU 11 HB3 GLU 11 -8.095 -10.825 4.559 94 HB3 GLU 11 HB2 GLU 11 -6.453 -11.483 4.368 95 HG2 GLU 11 HG3 GLU 11 -6.696 -10.629 6.642 96 HG3 GLU 11 HG2 GLU 11 -5.579 -9.573 5.748 97 H GLU 12 H GLU 12 -4.884 -10.491 1.823 98 HA GLU 12 HA GLU 12 -2.898 -9.078 3.384 99 HB2 GLU 12 HB3 GLU 12 -2.591 -11.076 1.103 100 HB3 GLU 12 HB2 GLU 12 -1.267 -10.371 2.063 101 HG2 GLU 12 HG3 GLU 12 -3.521 -12.158 3.082 102 HG3 GLU 12 HG2 GLU 12 -1.785 -12.547 2.999 103 H GLN 13 H GLN 13 -4.890 -8.338 0.777 104 HA GLN 13 HA GLN 13 -2.727 -6.736 -0.350 105 HB2 GLN 13 HB3 GLN 13 -5.423 -7.523 -1.535 106 HB3 GLN 13 HB2 GLN 13 -4.227 -6.475 -2.330 107 HG2 GLN 13 HG3 GLN 13 -3.600 -9.307 -1.393 108 HG3 GLN 13 HG2 GLN 13 -4.163 -8.925 -3.038 109 HE21 GLN 13 HE21 GLN 13 -2.460 -8.746 -4.476 110 HE22 GLN 13 HE22 GLN 13 -0.957 -8.117 -4.071 111 H LYS 14 H LYS 14 -5.650 -6.686 1.524 112 HA LYS 14 HA LYS 14 -6.527 -4.154 0.805 113 HB2 LYS 14 HB3 LYS 14 -6.792 -5.878 3.275 114 HB3 LYS 14 HB2 LYS 14 -7.482 -4.236 3.227 115 HG2 LYS 14 HG3 LYS 14 -8.927 -4.758 1.420 116 HG3 LYS 14 HG2 LYS 14 -8.001 -6.212 0.992 117 HD2 LYS 14 HD3 LYS 14 -10.074 -6.884 2.068 118 HD3 LYS 14 HD2 LYS 14 -8.714 -7.274 3.141 119 HE2 LYS 14 HE3 LYS 14 -10.345 -4.714 3.363 120 HE3 LYS 14 HE2 LYS 14 -10.721 -6.197 4.271 121 HZ1 LYS 14 HZ1 LYS 14 -9.360 -4.774 5.568 122 HZ2 LYS 14 HZ2 LYS 14 -8.491 -6.139 5.152 123 HZ3 LYS 14 HZ3 LYS 14 -8.200 -4.693 4.372 124 H LYS 15 H LYS 15 -3.580 -4.964 2.469 125 HA LYS 15 HA LYS 15 -3.460 -2.542 3.955 126 HB2 LYS 15 HB3 LYS 15 -1.508 -4.653 3.031 127 HB3 LYS 15 HB2 LYS 15 -0.889 -3.041 3.452 128 HG2 LYS 15 HG3 LYS 15 -0.778 -4.170 5.500 129 HG3 LYS 15 HG2 LYS 15 -2.290 -3.248 5.607 130 HD2 LYS 15 HD3 LYS 15 -2.742 -5.450 6.439 131 HD3 LYS 15 HD2 LYS 15 -3.502 -5.357 4.833 132 HE2 LYS 15 HE3 LYS 15 -1.662 -6.599 3.835 133 HE3 LYS 15 HE2 LYS 15 -0.714 -6.494 5.338 134 HZ1 LYS 15 HZ1 LYS 15 -3.292 -7.880 5.038 135 HZ2 LYS 15 HZ2 LYS 15 -1.798 -8.617 5.123 136 HZ3 LYS 15 HZ3 LYS 15 -2.384 -7.772 6.437 137 H ALA 16 H ALA 16 -2.396 -3.607 0.675 138 HA ALA 16 HA ALA 16 -1.245 -1.134 0.043 139 HB1 ALA 16 HB1 ALA 16 -0.792 -3.225 -1.193 140 HB2 ALA 16 HB2 ALA 16 -2.486 -3.273 -1.737 141 HB3 ALA 16 HB3 ALA 16 -1.413 -1.961 -2.285 142 H LEU 17 H LEU 17 -4.627 -2.351 -0.208 143 HA LEU 17 HA LEU 17 -5.353 -0.099 -1.778 144 HB2 LEU 17 HB3 LEU 17 -6.969 -2.134 -0.199 145 HB3 LEU 17 HB2 LEU 17 -7.703 -0.746 -1.034 146 HG LEU 17 HG LEU 17 -6.427 -1.518 -3.133 147 HD11 LEU 17 HD11 LEU 17 -6.291 -4.050 -1.437 148 HD12 LEU 17 HD12 LEU 17 -5.909 -3.952 -3.172 149 HD13 LEU 17 HD13 LEU 17 -4.899 -3.085 -1.990 150 HD21 LEU 17 HD21 LEU 17 -8.638 -3.254 -1.954 151 HD22 LEU 17 HD22 LEU 17 -8.856 -1.764 -2.905 152 HD23 LEU 17 HD23 LEU 17 -8.170 -3.215 -3.671 153 H ASP 18 H ASP 18 -4.326 -0.180 1.445 154 HA ASP 18 HA ASP 18 -6.152 2.002 2.017 155 HB2 ASP 18 HB3 ASP 18 -6.039 0.264 3.770 156 HB3 ASP 18 HB2 ASP 18 -4.274 0.498 3.882 157 H LEU 19 H LEU 19 -2.718 1.155 1.665 158 HA LEU 19 HA LEU 19 -1.900 3.762 2.428 159 HB2 LEU 19 HB3 LEU 19 -0.640 1.354 1.101 160 HB3 LEU 19 HB2 LEU 19 0.227 2.905 1.154 161 HG LEU 19 HG LEU 19 0.217 2.956 3.547 162 HD11 LEU 19 HD11 LEU 19 -0.933 1.241 4.905 163 HD12 LEU 19 HD12 LEU 19 -2.095 2.103 3.875 164 HD13 LEU 19 HD13 LEU 19 -1.541 0.472 3.429 165 HD21 LEU 19 HD21 LEU 19 1.886 1.452 2.456 166 HD22 LEU 19 HD22 LEU 19 1.433 0.872 4.077 167 HD23 LEU 19 HD23 LEU 19 0.751 0.094 2.629 168 H ALA 20 H ALA 20 -3.556 2.720 -0.391 169 HA ALA 20 HA ALA 20 -2.081 4.524 -2.079 170 HB1 ALA 20 HB1 ALA 20 -3.075 2.443 -2.999 171 HB2 ALA 20 HB2 ALA 20 -4.689 3.002 -2.507 172 HB3 ALA 20 HB3 ALA 20 -3.789 3.882 -3.763 173 H PHE 21 H PHE 21 -4.370 4.996 0.360 174 HA PHE 21 HA PHE 21 -6.148 6.735 -0.937 175 HB2 PHE 21 HB3 PHE 21 -6.593 5.696 1.252 176 HB3 PHE 21 HB2 PHE 21 -5.183 6.524 1.950 177 HD1 PHE 21 HD2 PHE 21 -8.164 7.426 -0.050 178 HD2 PHE 21 HD1 PHE 21 -5.636 8.417 3.114 179 HE1 PHE 21 HE2 PHE 21 -9.513 9.370 0.421 180 HE2 PHE 21 HE1 PHE 21 -6.977 10.367 3.577 181 HZ PHE 21 HZ PHE 21 -8.920 10.841 2.233 182 H TYR 22 H TYR 22 -3.365 7.374 1.159 183 HA TYR 22 HA TYR 22 -2.326 9.229 1.689 184 HB2 TYR 22 HB2 TYR 22 -0.615 9.658 0.242 185 HB3 TYR 22 HB3 TYR 22 -1.120 8.013 -0.161 186 HD1 TYR 22 HD1 TYR 22 -3.422 10.216 -1.604 187 HD2 TYR 22 HD2 TYR 22 0.460 8.781 -2.036 188 HE1 TYR 22 HE1 TYR 22 -3.436 10.864 -3.917 189 HE2 TYR 22 HE2 TYR 22 0.457 9.456 -4.339 190 HH TYR 22 HH TYR 22 -2.273 11.039 -5.977 191 H PHE 23 H PHE 23 -4.833 10.183 1.640 192 HA PHE 23 HA PHE 23 -5.767 12.174 1.845 193 HB2 PHE 23 HB3 PHE 23 -3.151 13.232 0.713 194 HB3 PHE 23 HB2 PHE 23 -4.458 14.214 1.410 195 HD1 PHE 23 HD2 PHE 23 -5.256 13.425 3.754 196 HD2 PHE 23 HD1 PHE 23 -1.540 12.454 2.120 197 HE1 PHE 23 HE2 PHE 23 -4.399 12.986 5.964 198 HE2 PHE 23 HE1 PHE 23 -0.686 12.009 4.329 199 HZ PHE 23 HZ PHE 23 -2.116 12.273 6.250 200 H ASP 24 H ASP 24 -4.174 11.801 -1.398 201 HA ASP 24 HA ASP 24 -6.649 13.000 -2.345 202 HB2 ASP 24 HB3 ASP 24 -4.571 14.281 -2.824 203 HB3 ASP 24 HB2 ASP 24 -3.931 12.888 -3.725 204 H ARG 25 H ARG 25 -6.698 10.292 -1.700 205 HA ARG 25 HA ARG 25 -7.163 8.284 -2.586 206 HB2 ARG 25 HB3 ARG 25 -9.152 8.443 -3.954 207 HB3 ARG 25 HB2 ARG 25 -9.188 9.567 -2.585 208 HG2 ARG 25 HG3 ARG 25 -8.559 11.425 -4.118 209 HG3 ARG 25 HG2 ARG 25 -8.582 10.282 -5.487 210 HD2 ARG 25 HD3 ARG 25 -10.941 9.750 -5.012 211 HD3 ARG 25 HD2 ARG 25 -10.929 10.832 -3.601 212 HE ARG 25 HE ARG 25 -10.394 11.858 -6.285 213 HH11 ARG 25 HH11 ARG 25 -12.189 11.707 -3.301 214 HH12 ARG 25 HH12 ARG 25 -13.107 13.079 -3.606 215 HH21 ARG 25 HH21 ARG 25 -11.674 13.762 -6.695 216 HH22 ARG 25 HH22 ARG 25 -12.812 14.264 -5.566 217 H ARG 26 H ARG 26 -4.982 7.658 -3.727 218 HA ARG 26 HA ARG 26 -4.717 8.281 -6.424 219 HB2 ARG 26 HB3 ARG 26 -4.044 5.661 -4.999 220 HB3 ARG 26 HB2 ARG 26 -3.484 6.112 -6.625 221 HG2 ARG 26 HG3 ARG 26 -2.314 8.074 -5.676 222 HG3 ARG 26 HG2 ARG 26 -2.861 7.607 -4.048 223 HD2 ARG 26 HD3 ARG 26 -0.588 6.804 -4.349 224 HD3 ARG 26 HD2 ARG 26 -1.678 5.400 -4.356 225 HE ARG 26 HE ARG 26 -1.402 6.201 -6.969 226 HH11 ARG 26 HH11 ARG 26 0.576 5.122 -4.319 227 HH12 ARG 26 HH12 ARG 26 1.721 4.356 -5.279 228 HH21 ARG 26 HH21 ARG 26 0.187 5.144 -8.300 229 HH22 ARG 26 HH22 ARG 26 1.493 4.364 -7.587 230 H LEU 27 H LEU 27 -6.548 8.084 -7.705 231 HA LEU 27 HA LEU 27 -7.581 5.428 -8.112 232 HB2 LEU 27 HB3 LEU 27 -8.651 6.358 -6.036 233 HB3 LEU 27 HB2 LEU 27 -9.349 7.660 -7.020 234 HG LEU 27 HG LEU 27 -9.762 4.818 -7.932 235 HD11 LEU 27 HD11 LEU 27 -10.157 4.730 -5.491 236 HD12 LEU 27 HD12 LEU 27 -11.234 6.143 -5.611 237 HD13 LEU 27 HD13 LEU 27 -11.694 4.605 -6.381 238 HD21 LEU 27 HD21 LEU 27 -10.667 6.755 -9.220 239 HD22 LEU 27 HD22 LEU 27 -11.981 5.764 -8.544 240 HD23 LEU 27 HD23 LEU 27 -11.536 7.303 -7.768 241 H THR 28 H THR 28 -6.458 8.084 -9.539 242 HA THR 28 HA THR 28 -8.663 8.712 -11.239 243 HB THR 28 HB THR 28 -6.967 10.058 -12.439 244 HG1 THR 28 HG1 THR 28 -4.825 9.919 -11.741 245 HG21 THR 28 HG21 THR 28 -7.846 10.952 -10.314 246 HG22 THR 28 HG22 THR 28 -6.563 10.104 -9.418 247 HG23 THR 28 HG23 THR 28 -6.144 11.422 -10.539 248 HA PRO 29 HA PRO 29 -8.314 5.655 -14.308 249 HB2 PRO 29 HB3 PRO 29 -7.039 7.691 -16.156 250 HB3 PRO 29 HB2 PRO 29 -8.301 6.473 -16.537 251 HG2 PRO 29 HG3 PRO 29 -9.032 9.020 -16.069 252 HG3 PRO 29 HG2 PRO 29 -9.956 7.690 -15.298 253 HD2 PRO 29 HD3 PRO 29 -7.838 9.475 -14.084 254 HD3 PRO 29 HD2 PRO 29 -9.362 8.875 -13.349 255 H GLU 30 H GLU 30 -5.397 7.720 -14.385 256 HA GLU 30 HA GLU 30 -3.792 5.573 -15.275 257 HB2 GLU 30 HB3 GLU 30 -3.180 7.953 -15.594 258 HB3 GLU 30 HB2 GLU 30 -3.058 8.156 -13.829 259 HG2 GLU 30 HG3 GLU 30 -1.292 6.412 -13.755 260 HG3 GLU 30 HG2 GLU 30 -1.416 6.216 -15.519 261 H TRP 31 H TRP 31 -4.083 7.182 -12.054 262 HA TRP 31 HA TRP 31 -2.245 5.558 -10.787 263 HB2 TRP 31 HB3 TRP 31 -4.722 7.054 -9.846 264 HB3 TRP 31 HB2 TRP 31 -3.512 6.357 -8.738 265 HD1 TRP 31 HD1 TRP 31 -1.341 7.245 -11.337 266 HE1 TRP 31 HE1 TRP 31 -0.393 9.555 -11.154 267 HE3 TRP 31 HE3 TRP 31 -4.677 9.110 -8.158 268 HZ2 TRP 31 HZ2 TRP 31 -1.012 11.864 -9.786 269 HZ3 TRP 31 HZ3 TRP 31 -4.450 11.412 -7.429 270 HH2 TRP 31 HH2 TRP 31 -2.638 12.771 -8.234 271 H ARG 32 H ARG 32 -5.802 5.230 -10.950 272 HA ARG 32 HA ARG 32 -6.117 2.972 -9.449 273 HB2 ARG 32 HB3 ARG 32 -7.785 4.595 -10.623 274 HB3 ARG 32 HB2 ARG 32 -7.599 3.539 -12.038 275 HG2 ARG 32 HG3 ARG 32 -8.312 1.602 -10.568 276 HG3 ARG 32 HG2 ARG 32 -8.619 2.782 -9.268 277 HD2 ARG 32 HD3 ARG 32 -9.965 2.617 -11.996 278 HD3 ARG 32 HD2 ARG 32 -10.730 2.472 -10.396 279 HE ARG 32 HE ARG 32 -9.683 4.920 -10.314 280 HH11 ARG 32 HH11 ARG 32 -11.545 3.187 -12.694 281 HH12 ARG 32 HH12 ARG 32 -12.260 4.559 -13.349 282 HH21 ARG 32 HH21 ARG 32 -10.631 6.790 -11.226 283 HH22 ARG 32 HH22 ARG 32 -11.746 6.664 -12.481 284 H ARG 33 H ARG 33 -5.690 3.167 -13.039 285 HA ARG 33 HA ARG 33 -5.482 0.357 -13.232 286 HB2 ARG 33 HB3 ARG 33 -6.297 1.558 -15.119 287 HB3 ARG 33 HB2 ARG 33 -4.921 2.683 -15.106 288 HG2 ARG 33 HG3 ARG 33 -4.423 -0.278 -15.472 289 HG3 ARG 33 HG2 ARG 33 -4.956 0.721 -16.847 290 HD2 ARG 33 HD3 ARG 33 -3.096 2.311 -16.416 291 HD3 ARG 33 HD2 ARG 33 -2.521 1.270 -15.097 292 HE ARG 33 HE ARG 33 -2.745 -0.244 -17.425 293 HH11 ARG 33 HH11 ARG 33 -0.961 2.381 -16.000 294 HH12 ARG 33 HH12 ARG 33 0.464 2.074 -16.835 295 HH21 ARG 33 HH21 ARG 33 -0.770 -0.669 -18.582 296 HH22 ARG 33 HH22 ARG 33 0.574 0.307 -18.332 297 H TYR 34 H TYR 34 -3.150 2.710 -12.216 298 HA TYR 34 HA TYR 34 -0.927 1.326 -13.363 299 HB2 TYR 34 HB3 TYR 34 -0.897 3.761 -12.751 300 HB3 TYR 34 HB2 TYR 34 -1.117 3.302 -11.047 301 HD1 TYR 34 HD1 TYR 34 1.062 2.487 -13.913 302 HD2 TYR 34 HD2 TYR 34 0.779 3.110 -9.794 303 HE1 TYR 34 HE1 TYR 34 3.459 2.323 -13.724 304 HE2 TYR 34 HE2 TYR 34 3.178 2.958 -9.608 305 HH TYR 34 HH TYR 34 5.387 2.420 -12.362 306 H LEU 35 H LEU 35 -2.432 1.664 -10.133 307 HA LEU 35 HA LEU 35 -0.740 -0.124 -8.833 308 HB2 LEU 35 HB3 LEU 35 -3.637 0.710 -8.371 309 HB3 LEU 35 HB2 LEU 35 -2.670 -0.228 -7.207 310 HG LEU 35 HG LEU 35 -1.881 2.501 -8.313 311 HD11 LEU 35 HD11 LEU 35 -3.018 1.725 -5.591 312 HD12 LEU 35 HD12 LEU 35 -2.451 3.346 -6.060 313 HD13 LEU 35 HD13 LEU 35 -3.877 2.638 -6.855 314 HD21 LEU 35 HD21 LEU 35 0.017 1.062 -7.680 315 HD22 LEU 35 HD22 LEU 35 -0.173 2.388 -6.508 316 HD23 LEU 35 HD23 LEU 35 -0.732 0.749 -6.097 317 H SER 36 H SER 36 -3.849 -0.647 -10.598 318 HA SER 36 HA SER 36 -4.114 -3.255 -9.656 319 HB2 SER 36 HB3 SER 36 -5.734 -3.526 -11.451 320 HB3 SER 36 HB2 SER 36 -5.935 -1.905 -10.745 321 HG SER 36 HG SER 36 -5.891 -2.054 -13.059 322 H GLN 37 H GLN 37 -1.678 -2.114 -11.822 323 HA GLN 37 HA GLN 37 -1.744 -4.258 -13.629 324 HB2 GLN 37 HB3 GLN 37 -0.470 -2.150 -13.968 325 HB3 GLN 37 HB2 GLN 37 0.606 -2.596 -12.622 326 HG2 GLN 37 HG3 GLN 37 1.581 -3.213 -14.830 327 HG3 GLN 37 HG2 GLN 37 1.274 -4.652 -13.827 328 HE21 GLN 37 HE21 GLN 37 -0.713 -2.593 -16.069 329 HE22 GLN 37 HE22 GLN 37 -1.336 -3.915 -16.898 330 H ARG 38 H ARG 38 0.022 -3.812 -10.476 331 HA ARG 38 HA ARG 38 0.481 -6.698 -10.733 332 HB2 ARG 38 HB3 ARG 38 2.223 -4.588 -9.391 333 HB3 ARG 38 HB2 ARG 38 2.507 -6.344 -9.343 334 HG2 ARG 38 HG3 ARG 38 2.591 -6.348 -11.862 335 HG3 ARG 38 HG2 ARG 38 2.475 -4.571 -11.819 336 HD2 ARG 38 HD3 ARG 38 4.827 -5.133 -11.954 337 HD3 ARG 38 HD2 ARG 38 4.505 -4.583 -10.290 338 HE ARG 38 HE ARG 38 4.270 -7.409 -10.703 339 HH11 ARG 38 HH11 ARG 38 6.322 -4.699 -9.887 340 HH12 ARG 38 HH12 ARG 38 7.484 -5.635 -9.116 341 HH21 ARG 38 HH21 ARG 38 5.861 -8.668 -9.629 342 HH22 ARG 38 HH22 ARG 38 7.207 -7.937 -8.939 343 H LEU 39 H LEU 39 -1.370 -4.461 -9.076 344 HA LEU 39 HA LEU 39 -0.903 -5.365 -6.448 345 HB2 LEU 39 HB3 LEU 39 -1.959 -3.207 -7.016 346 HB3 LEU 39 HB2 LEU 39 -3.354 -4.071 -7.704 347 HG LEU 39 HG LEU 39 -3.830 -5.074 -5.500 348 HD11 LEU 39 HD11 LEU 39 -2.496 -4.419 -3.533 349 HD12 LEU 39 HD12 LEU 39 -1.454 -5.203 -4.743 350 HD13 LEU 39 HD13 LEU 39 -1.432 -3.432 -4.565 351 HD21 LEU 39 HD21 LEU 39 -4.789 -2.847 -6.012 352 HD22 LEU 39 HD22 LEU 39 -4.359 -2.937 -4.287 353 HD23 LEU 39 HD23 LEU 39 -3.307 -2.061 -5.419 354 H GLY 40 H GLY 40 -3.352 -6.309 -8.964 355 HA2 GLY 40 HA3 GLY 40 -3.474 -8.758 -9.034 356 HA3 GLY 40 HA2 GLY 40 -3.664 -8.688 -7.273 357 H LEU 41 H LEU 41 -5.464 -6.069 -8.135 358 HA LEU 41 HA LEU 41 -7.650 -7.822 -8.933 359 HB2 LEU 41 HB3 LEU 41 -9.164 -6.305 -7.566 360 HB3 LEU 41 HB2 LEU 41 -8.164 -7.461 -6.669 361 HG LEU 41 HG LEU 41 -8.305 -5.036 -5.775 362 HD11 LEU 41 HD11 LEU 41 -6.695 -6.777 -5.021 363 HD12 LEU 41 HD12 LEU 41 -5.577 -6.283 -6.315 364 HD13 LEU 41 HD13 LEU 41 -5.981 -5.148 -5.007 365 HD21 LEU 41 HD21 LEU 41 -7.913 -3.895 -7.933 366 HD22 LEU 41 HD22 LEU 41 -6.629 -3.500 -6.769 367 HD23 LEU 41 HD23 LEU 41 -6.320 -4.677 -8.066 368 H ASN 42 H ASN 42 -9.578 -6.361 -9.755 369 HA ASN 42 HA ASN 42 -8.352 -4.959 -11.906 370 HB2 ASN 42 HB3 ASN 42 -11.240 -5.497 -11.128 371 HB3 ASN 42 HB2 ASN 42 -10.778 -4.593 -12.590 372 HD21 ASN 42 HD21 ASN 42 -12.172 -6.919 -13.040 373 HD22 ASN 42 HD22 ASN 42 -11.122 -8.097 -13.616 374 H GLU 43 H GLU 43 -9.246 -2.787 -12.584 375 HA GLU 43 HA GLU 43 -8.668 -0.918 -10.614 376 HB2 GLU 43 HB3 GLU 43 -10.376 -0.551 -13.118 377 HB3 GLU 43 HB2 GLU 43 -9.498 0.709 -12.229 378 HG2 GLU 43 HG3 GLU 43 -8.159 0.174 -14.136 379 HG3 GLU 43 HG2 GLU 43 -7.355 -0.581 -12.739 380 H GLU 44 H GLU 44 -11.703 -2.491 -11.562 381 HA GLU 44 HA GLU 44 -13.414 -0.630 -10.361 382 HB2 GLU 44 HB3 GLU 44 -13.609 -3.640 -10.846 383 HB3 GLU 44 HB2 GLU 44 -14.969 -2.619 -10.327 384 HG2 GLU 44 HG3 GLU 44 -13.352 -2.271 -12.890 385 HG3 GLU 44 HG2 GLU 44 -15.006 -2.916 -12.773 386 H GLN 45 H GLN 45 -11.440 -3.311 -9.041 387 HA GLN 45 HA GLN 45 -12.952 -3.286 -6.627 388 HB2 GLN 45 HB3 GLN 45 -10.245 -4.508 -7.312 389 HB3 GLN 45 HB2 GLN 45 -11.204 -4.854 -5.851 390 HG2 GLN 45 HG3 GLN 45 -12.086 -5.341 -8.730 391 HG3 GLN 45 HG2 GLN 45 -11.591 -6.589 -7.565 392 HE21 GLN 45 HE21 GLN 45 -12.894 -6.189 -5.289 393 HE22 GLN 45 HE22 GLN 45 -14.547 -6.008 -5.525 394 H ILE 46 H ILE 46 -10.537 -1.216 -7.918 395 HA ILE 46 HA ILE 46 -9.296 -0.607 -5.420 396 HB ILE 46 HB ILE 46 -9.649 1.002 -7.996 397 HG12 ILE 46 HG13 ILE 46 -8.327 -1.091 -8.275 398 HG13 ILE 46 HG12 ILE 46 -7.317 0.364 -8.455 399 HG21 ILE 46 HG21 ILE 46 -9.245 2.429 -6.019 400 HG22 ILE 46 HG22 ILE 46 -7.821 1.447 -5.598 401 HG23 ILE 46 HG23 ILE 46 -7.827 2.411 -7.095 402 HD11 ILE 46 HD11 ILE 46 -6.589 0.146 -6.090 403 HD12 ILE 46 HD12 ILE 46 -7.578 -1.325 -5.927 404 HD13 ILE 46 HD13 ILE 46 -6.183 -1.307 -7.033 405 H GLU 47 H GLU 47 -11.956 0.656 -7.454 406 HA GLU 47 HA GLU 47 -12.661 2.731 -5.734 407 HB2 GLU 47 HB3 GLU 47 -14.299 1.073 -7.702 408 HB3 GLU 47 HB2 GLU 47 -14.826 2.609 -6.972 409 HG2 GLU 47 HG3 GLU 47 -12.873 3.760 -7.963 410 HG3 GLU 47 HG2 GLU 47 -12.335 2.228 -8.694 411 H ARG 48 H ARG 48 -13.576 -0.757 -5.708 412 HA ARG 48 HA ARG 48 -15.738 -0.335 -3.961 413 HB2 ARG 48 HB3 ARG 48 -14.112 -2.677 -4.887 414 HB3 ARG 48 HB2 ARG 48 -15.024 -2.850 -3.368 415 HG2 ARG 48 HG3 ARG 48 -16.475 -3.544 -5.187 416 HG3 ARG 48 HG2 ARG 48 -17.073 -1.997 -4.541 417 HD2 ARG 48 HD3 ARG 48 -15.821 -0.812 -6.370 418 HD3 ARG 48 HD2 ARG 48 -15.364 -2.405 -7.026 419 HE ARG 48 HE ARG 48 -18.125 -2.322 -6.725 420 HH11 ARG 48 HH11 ARG 48 -15.494 -0.922 -8.517 421 HH12 ARG 48 HH12 ARG 48 -16.399 -0.582 -9.892 422 HH21 ARG 48 HH21 ARG 48 -19.382 -1.870 -8.634 423 HH22 ARG 48 HH22 ARG 48 -18.655 -1.145 -9.964 424 H TRP 49 H TRP 49 -12.306 -1.420 -3.170 425 HA TRP 49 HA TRP 49 -13.144 -1.328 -0.461 426 HB2 TRP 49 HB3 TRP 49 -11.250 -2.777 -1.281 427 HB3 TRP 49 HB2 TRP 49 -10.276 -1.294 -1.446 428 HD1 TRP 49 HD1 TRP 49 -8.891 -0.876 0.715 429 HE1 TRP 49 HE1 TRP 49 -9.199 -1.243 3.171 430 HE3 TRP 49 HE3 TRP 49 -13.376 -3.016 0.533 431 HZ2 TRP 49 HZ2 TRP 49 -11.170 -2.260 4.807 432 HZ3 TRP 49 HZ3 TRP 49 -14.450 -3.670 2.608 433 HH2 TRP 49 HH2 TRP 49 -13.363 -3.289 4.717 434 H PHE 50 H PHE 50 -11.802 0.993 -2.729 435 HA PHE 50 HA PHE 50 -10.810 2.869 -0.978 436 HB2 PHE 50 HB3 PHE 50 -10.609 3.097 -3.419 437 HB3 PHE 50 HB2 PHE 50 -12.381 3.191 -3.565 438 HD1 PHE 50 HD1 PHE 50 -9.539 4.873 -1.913 439 HD2 PHE 50 HD2 PHE 50 -13.415 5.208 -3.429 440 HE1 PHE 50 HE1 PHE 50 -9.483 7.254 -1.546 441 HE2 PHE 50 HE2 PHE 50 -13.364 7.586 -3.039 442 HZ PHE 50 HZ PHE 50 -11.394 8.608 -2.098 443 H ARG 51 H ARG 51 -14.235 2.534 -2.189 444 HA ARG 51 HA ARG 51 -14.868 4.743 -0.496 445 HB2 ARG 51 HB3 ARG 51 -17.145 4.477 -1.291 446 HB3 ARG 51 HB2 ARG 51 -16.000 4.420 -2.644 447 HG2 ARG 51 HG3 ARG 51 -17.285 2.619 -3.222 448 HG3 ARG 51 HG2 ARG 51 -16.152 1.774 -2.140 449 HD2 ARG 51 HD3 ARG 51 -17.750 2.072 -0.263 450 HD3 ARG 51 HD2 ARG 51 -18.853 2.965 -1.332 451 HE ARG 51 HE ARG 51 -18.107 0.179 -1.836 452 HH11 ARG 51 HH11 ARG 51 -20.368 2.803 -1.496 453 HH12 ARG 51 HH12 ARG 51 -21.714 1.907 -1.952 454 HH21 ARG 51 HH21 ARG 51 -19.964 -1.057 -2.469 455 HH22 ARG 51 HH22 ARG 51 -21.480 -0.333 -2.517 456 H ARG 52 H ARG 52 -15.134 1.169 -0.280 457 HA ARG 52 HA ARG 52 -16.713 1.246 2.038 458 HB2 ARG 52 HB3 ARG 52 -14.605 -0.726 1.071 459 HB3 ARG 52 HB2 ARG 52 -15.700 -1.038 2.435 460 HG2 ARG 52 HG3 ARG 52 -16.790 -0.288 -0.296 461 HG3 ARG 52 HG2 ARG 52 -16.328 -1.961 0.087 462 HD2 ARG 52 HD3 ARG 52 -18.652 -1.806 0.594 463 HD3 ARG 52 HD2 ARG 52 -17.799 -1.799 2.153 464 HE ARG 52 HE ARG 52 -18.302 0.811 1.129 465 HH11 ARG 52 HH11 ARG 52 -19.584 -1.958 2.801 466 HH12 ARG 52 HH12 ARG 52 -20.767 -1.103 3.634 467 HH21 ARG 52 HH21 ARG 52 -19.945 1.992 2.283 468 HH22 ARG 52 HH22 ARG 52 -20.973 1.184 3.338 469 H LYS 53 H LYS 53 -13.438 2.226 1.521 470 HA LYS 53 HA LYS 53 -12.237 1.562 3.892 471 HB2 LYS 53 HB3 LYS 53 -11.192 2.718 1.894 472 HB3 LYS 53 HB2 LYS 53 -12.050 4.202 2.375 473 HG2 LYS 53 HG3 LYS 53 -9.801 4.295 3.291 474 HG3 LYS 53 HG2 LYS 53 -10.934 4.026 4.640 475 HD2 LYS 53 HD3 LYS 53 -8.945 2.511 4.759 476 HD3 LYS 53 HD2 LYS 53 -10.462 1.597 4.553 477 HE2 LYS 53 HE3 LYS 53 -8.686 0.779 3.016 478 HE3 LYS 53 HE2 LYS 53 -10.058 1.468 2.110 479 HZ1 LYS 53 HZ1 LYS 53 -8.852 3.490 1.891 480 HZ2 LYS 53 HZ2 LYS 53 -7.608 2.906 2.847 481 HZ3 LYS 53 HZ3 LYS 53 -7.892 2.230 1.342 482 H GLU 54 H GLU 54 -13.993 4.619 3.101 483 HA GLU 54 HA GLU 54 -13.957 5.101 5.971 484 HB2 GLU 54 HB3 GLU 54 -14.471 7.452 5.276 485 HB3 GLU 54 HB2 GLU 54 -12.974 6.847 4.527 486 HG2 GLU 54 HG3 GLU 54 -14.273 6.262 2.479 487 HG3 GLU 54 HG2 GLU 54 -15.739 6.932 3.234 488 H GLN 55 H GLN 55 -16.135 4.015 3.518 489 HA GLN 55 HA GLN 55 -18.338 5.329 4.823 490 HB2 GLN 55 HB3 GLN 55 -18.206 3.250 2.601 491 HB3 GLN 55 HB2 GLN 55 -19.705 4.014 3.182 492 HG2 GLN 55 HG3 GLN 55 -17.312 5.584 2.132 493 HG3 GLN 55 HG2 GLN 55 -18.694 5.099 1.120 494 HE21 GLN 55 HE21 GLN 55 -20.182 6.734 0.908 495 HE22 GLN 55 HE22 GLN 55 -20.546 7.843 2.116 496 H GLN 56 H GLN 56 -16.426 2.601 5.472 497 HA GLN 56 HA GLN 56 -18.468 0.856 6.318 498 HB2 GLN 56 HB3 GLN 56 -16.122 0.163 5.878 499 HB3 GLN 56 HB2 GLN 56 -15.580 1.161 7.248 500 HG2 GLN 56 HG3 GLN 56 -15.821 -1.187 7.946 501 HG3 GLN 56 HG2 GLN 56 -17.040 -0.184 8.767 502 HE21 GLN 56 HE21 GLN 56 -19.028 -1.199 8.801 503 HE22 GLN 56 HE22 GLN 56 -19.616 -2.160 7.555 504 H ILE 57 H ILE 57 -16.479 3.341 8.086 505 HA ILE 57 HA ILE 57 -18.418 2.871 10.237 506 HB ILE 57 HB ILE 57 -16.611 3.360 11.803 507 HG12 ILE 57 HG13 ILE 57 -15.513 5.030 10.232 508 HG13 ILE 57 HG12 ILE 57 -14.402 3.952 11.097 509 HG21 ILE 57 HG21 ILE 57 -15.116 1.449 11.369 510 HG22 ILE 57 HG22 ILE 57 -16.798 1.018 10.973 511 HG23 ILE 57 HG23 ILE 57 -15.646 1.402 9.671 512 HD11 ILE 57 HD11 ILE 57 -15.348 3.609 8.219 513 HD12 ILE 57 HD12 ILE 57 -13.726 4.105 8.748 514 HD13 ILE 57 HD13 ILE 57 -14.309 2.461 9.097 515 H GLY 58 H GLY 58 -17.314 5.342 8.049 516 HA2 GLY 58 HA3 GLY 58 -18.532 7.427 8.403 517 HA3 GLY 58 HA2 GLY 58 -18.184 7.213 10.132 518 H TRP 59 H TRP 59 -15.711 6.437 7.771 519 HA TRP 59 HA TRP 59 -13.828 7.442 7.173 520 HB2 TRP 59 HB3 TRP 59 -15.269 9.299 6.489 521 HB3 TRP 59 HB2 TRP 59 -15.206 9.965 8.136 522 HD1 TRP 59 HD1 TRP 59 -12.663 9.103 5.329 523 HE1 TRP 59 HE1 TRP 59 -10.798 10.767 5.459 524 HE3 TRP 59 HE3 TRP 59 -14.219 11.559 9.362 525 HZ2 TRP 59 HZ2 TRP 59 -10.115 12.879 7.098 526 HZ3 TRP 59 HZ3 TRP 59 -12.913 13.437 10.171 527 HH2 TRP 59 HH2 TRP 59 -10.888 14.087 9.052 528 H SER 60 H SER 60 -14.257 6.672 10.274 529 HA SER 60 HA SER 60 -12.265 8.519 11.220 530 HB2 SER 60 HB3 SER 60 -12.397 7.314 13.338 531 HB3 SER 60 HB2 SER 60 -14.030 7.722 12.761 532 HG SER 60 HG SER 60 -13.851 5.608 13.522 533 H HIS 61 H HIS 61 -12.261 5.654 9.405 534 HA HIS 61 HA HIS 61 -10.613 4.466 8.574 535 HB2 HIS 61 HB3 HIS 61 -9.634 6.751 8.364 536 HB3 HIS 61 HB2 HIS 61 -8.765 6.496 9.895 537 HD1 HIS 61 HD1 HIS 61 -7.106 4.304 9.781 538 HD2 HIS 61 HD2 HIS 61 -8.489 5.816 6.236 539 HE1 HIS 61 HE1 HIS 61 -5.654 3.387 7.960 540 HE2 HIS 61 HE2 HIS 61 -6.530 4.300 5.800 541 HA PRO 62 HA PRO 62 -8.947 2.582 12.386 542 HB2 PRO 62 HB3 PRO 62 -10.881 1.214 13.650 543 HB3 PRO 62 HB2 PRO 62 -10.890 3.006 13.784 544 HG2 PRO 62 HG3 PRO 62 -12.491 1.256 11.880 545 HG3 PRO 62 HG2 PRO 62 -13.084 2.600 12.906 546 HD2 PRO 62 HD3 PRO 62 -12.327 2.864 10.214 547 HD3 PRO 62 HD2 PRO 62 -12.309 4.198 11.415 548 H GLN 63 H GLN 63 -10.538 1.552 9.601 549 HA GLN 63 HA GLN 63 -10.706 -1.167 10.372 550 HB2 GLN 63 HB3 GLN 63 -11.389 -1.619 8.117 551 HB3 GLN 63 HB2 GLN 63 -12.197 -0.124 8.643 552 HG2 GLN 63 HG3 GLN 63 -9.598 -0.201 7.032 553 HG3 GLN 63 HG2 GLN 63 -11.220 -0.004 6.325 554 HE21 GLN 63 HE21 GLN 63 -8.637 1.814 7.076 555 HE22 GLN 63 HE22 GLN 63 -9.412 3.210 7.597 556 H PHE 64 H PHE 64 -7.972 0.692 9.616 557 HA PHE 64 HA PHE 64 -6.582 -1.193 8.062 558 HB2 PHE 64 HB3 PHE 64 -5.757 1.153 8.579 559 HB3 PHE 64 HB2 PHE 64 -5.502 0.619 10.259 560 HD1 PHE 64 HD1 PHE 64 -4.616 -0.227 6.786 561 HD2 PHE 64 HD2 PHE 64 -3.529 -0.459 10.808 562 HE1 PHE 64 HE1 PHE 64 -2.482 -1.152 6.158 563 HE2 PHE 64 HE2 PHE 64 -1.408 -1.411 10.183 564 HZ PHE 64 HZ PHE 64 -0.880 -1.753 7.856 565 H GLU 65 H GLU 65 -7.228 -0.805 11.575 566 HA GLU 65 HA GLU 65 -5.852 -3.362 11.906 567 HB2 GLU 65 HB3 GLU 65 -6.630 -1.222 13.940 568 HB3 GLU 65 HB2 GLU 65 -5.820 -2.758 14.324 569 HG2 GLU 65 HG3 GLU 65 -3.921 -2.114 12.849 570 HG3 GLU 65 HG2 GLU 65 -4.731 -0.564 12.510 571 H LYS 66 H LYS 66 -8.972 -2.039 11.562 572 HA LYS 66 HA LYS 66 -9.977 -4.304 13.130 573 HB2 LYS 66 HB3 LYS 66 -11.306 -1.633 12.472 574 HB3 LYS 66 HB2 LYS 66 -12.095 -2.996 13.297 575 HG2 LYS 66 HG3 LYS 66 -10.330 -2.891 15.077 576 HG3 LYS 66 HG2 LYS 66 -9.671 -1.437 14.288 577 HD2 LYS 66 HD3 LYS 66 -11.884 -0.317 14.558 578 HD3 LYS 66 HD2 LYS 66 -12.501 -1.764 15.387 579 HE2 LYS 66 HE3 LYS 66 -10.124 -0.084 16.306 580 HE3 LYS 66 HE2 LYS 66 -11.760 -0.027 17.007 581 HZ1 LYS 66 HZ1 LYS 66 -10.016 -2.393 16.892 582 HZ2 LYS 66 HZ2 LYS 66 -10.318 -1.464 18.245 583 HZ3 LYS 66 HZ3 LYS 66 -11.552 -2.341 17.542 584 H1 MET 1 H1 MET 1 1.649 -18.631 3.024 585 H2 MET 1 H2 MET 1 1.996 -20.213 2.627 586 H3 MET 1 H3 MET 1 0.876 -19.355 1.736 587 HA MET 1 HA MET 1 3.748 -18.741 1.922 588 HB2 MET 1 HB3 MET 1 2.073 -19.969 -0.311 589 HB3 MET 1 HB2 MET 1 3.792 -19.522 -0.437 590 HG2 MET 1 HG3 MET 1 2.621 -21.527 1.542 591 HG3 MET 1 HG2 MET 1 3.502 -21.951 0.054 592 HE1 MET 1 HE1 MET 1 6.929 -20.634 0.430 593 HE2 MET 1 HE2 MET 1 5.754 -21.638 -0.452 594 HE3 MET 1 HE3 MET 1 5.489 -19.884 -0.299 595 H GLU 2 H GLU 2 4.123 -17.378 -0.277 596 HA GLU 2 HA GLU 2 3.855 -15.469 -1.374 597 HB2 GLU 2 HB3 GLU 2 0.937 -16.036 -0.799 598 HB3 GLU 2 HB2 GLU 2 1.485 -14.539 -1.574 599 HG2 GLU 2 HG3 GLU 2 0.935 -16.100 -3.321 600 HG3 GLU 2 HG2 GLU 2 2.701 -15.914 -3.286 601 H LYS 3 H LYS 3 1.967 -15.381 1.737 602 HA LYS 3 HA LYS 3 2.506 -12.620 1.953 603 HB2 LYS 3 HB3 LYS 3 1.603 -12.860 4.215 604 HB3 LYS 3 HB2 LYS 3 0.580 -13.700 3.034 605 HG2 LYS 3 HG3 LYS 3 0.691 -15.294 4.701 606 HG3 LYS 3 HG2 LYS 3 2.063 -15.801 3.690 607 HD2 LYS 3 HD3 LYS 3 2.636 -15.725 6.122 608 HD3 LYS 3 HD2 LYS 3 3.609 -14.572 5.185 609 HE2 LYS 3 HE3 LYS 3 2.014 -12.754 5.799 610 HE3 LYS 3 HE2 LYS 3 1.061 -13.924 6.737 611 HZ1 LYS 3 HZ1 LYS 3 3.833 -13.080 7.246 612 HZ2 LYS 3 HZ2 LYS 3 2.485 -12.756 8.172 613 HZ3 LYS 3 HZ3 LYS 3 3.056 -14.319 8.059 614 H ARG 4 H ARG 4 3.821 -11.974 4.169 615 HA ARG 4 HA ARG 4 6.300 -13.475 3.753 616 HB2 ARG 4 HB3 ARG 4 6.259 -11.044 3.096 617 HB3 ARG 4 HB2 ARG 4 5.809 -10.641 4.767 618 HG2 ARG 4 HG3 ARG 4 8.124 -10.308 4.713 619 HG3 ARG 4 HG2 ARG 4 7.964 -11.913 5.461 620 HD2 ARG 4 HD3 ARG 4 8.413 -11.456 2.475 621 HD3 ARG 4 HD2 ARG 4 9.735 -11.724 3.631 622 HE ARG 4 HE ARG 4 7.990 -13.770 4.024 623 HH11 ARG 4 HH11 ARG 4 9.836 -12.396 1.419 624 HH12 ARG 4 HH12 ARG 4 10.083 -13.851 0.616 625 HH21 ARG 4 HH21 ARG 4 8.324 -15.786 2.913 626 HH22 ARG 4 HH22 ARG 4 9.204 -15.819 1.483 627 HA PRO 5 HA PRO 5 5.657 -14.005 8.175 628 HB2 PRO 5 HB3 PRO 5 6.562 -16.536 8.471 629 HB3 PRO 5 HB2 PRO 5 5.008 -16.260 7.612 630 HG2 PRO 5 HG3 PRO 5 7.768 -16.684 6.417 631 HG3 PRO 5 HG2 PRO 5 6.230 -17.475 5.953 632 HD2 PRO 5 HD3 PRO 5 7.293 -15.236 4.677 633 HD3 PRO 5 HD2 PRO 5 5.540 -15.611 4.720 634 H ARG 6 H ARG 6 8.283 -13.741 6.130 635 HA ARG 6 HA ARG 6 10.204 -14.387 8.187 636 HB2 ARG 6 HB3 ARG 6 10.487 -13.506 5.284 637 HB3 ARG 6 HB2 ARG 6 11.839 -13.910 6.369 638 HG2 ARG 6 HG3 ARG 6 10.936 -16.187 6.673 639 HG3 ARG 6 HG2 ARG 6 9.565 -15.791 5.608 640 HD2 ARG 6 HD3 ARG 6 11.363 -17.006 4.372 641 HD3 ARG 6 HD2 ARG 6 11.112 -15.360 3.745 642 HE ARG 6 HE ARG 6 13.044 -14.768 5.229 643 HH11 ARG 6 HH11 ARG 6 12.547 -17.915 3.807 644 HH12 ARG 6 HH12 ARG 6 14.180 -18.299 3.731 645 HH21 ARG 6 HH21 ARG 6 15.286 -15.318 5.132 646 HH22 ARG 6 HH22 ARG 6 15.765 -16.797 4.496 647 H THR 7 H THR 7 8.349 -11.716 7.594 648 HA THR 7 HA THR 7 8.557 -9.551 7.983 649 HB THR 7 HB THR 7 9.936 -8.901 9.894 650 HG1 THR 7 HG1 THR 7 11.705 -10.202 9.404 651 HG21 THR 7 HG21 THR 7 8.890 -10.429 11.533 652 HG22 THR 7 HG22 THR 7 7.752 -10.005 10.232 653 HG23 THR 7 HG23 THR 7 8.549 -11.596 10.232 654 H GLU 8 H GLU 8 9.597 -9.827 5.612 655 HA GLU 8 HA GLU 8 11.637 -7.860 5.647 656 HB2 GLU 8 HB3 GLU 8 13.278 -9.177 4.338 657 HB3 GLU 8 HB2 GLU 8 13.059 -9.802 5.986 658 HG2 GLU 8 HG3 GLU 8 11.517 -11.540 5.118 659 HG3 GLU 8 HG2 GLU 8 11.776 -10.936 3.462 660 H PHE 9 H PHE 9 8.927 -8.309 4.689 661 HA PHE 9 HA PHE 9 7.591 -8.023 3.021 662 HB2 PHE 9 HB3 PHE 9 8.111 -6.288 1.414 663 HB3 PHE 9 HB2 PHE 9 8.484 -5.846 3.085 664 HD1 PHE 9 HD2 PHE 9 10.035 -6.952 -0.049 665 HD2 PHE 9 HD1 PHE 9 10.597 -5.166 3.679 666 HE1 PHE 9 HE2 PHE 9 12.259 -6.291 -0.701 667 HE2 PHE 9 HE1 PHE 9 12.826 -4.513 3.034 668 HZ PHE 9 HZ PHE 9 13.652 -5.067 0.837 669 H SER 10 H SER 10 6.764 -9.121 1.506 670 HA SER 10 HA SER 10 8.531 -10.802 -0.072 671 HB2 SER 10 HB3 SER 10 6.709 -11.875 1.243 672 HB3 SER 10 HB2 SER 10 5.516 -10.825 0.445 673 HG SER 10 HG SER 10 5.617 -12.870 -0.470 674 H GLU 11 H GLU 11 7.438 -11.256 -2.361 675 HA GLU 11 HA GLU 11 7.440 -8.782 -3.699 676 HB2 GLU 11 HB3 GLU 11 8.161 -10.867 -4.816 677 HB3 GLU 11 HB2 GLU 11 6.522 -11.536 -4.626 678 HG2 GLU 11 HG3 GLU 11 6.733 -10.636 -6.881 679 HG3 GLU 11 HG2 GLU 11 5.631 -9.595 -5.952 680 H GLU 12 H GLU 12 4.960 -10.614 -2.057 681 HA GLU 12 HA GLU 12 2.951 -9.191 -3.579 682 HB2 GLU 12 HB3 GLU 12 2.681 -11.189 -1.293 683 HB3 GLU 12 HB2 GLU 12 1.342 -10.498 -2.241 684 HG2 GLU 12 HG3 GLU 12 3.601 -12.272 -3.271 685 HG3 GLU 12 HG2 GLU 12 1.869 -12.671 -3.177 686 H GLN 13 H GLN 13 4.965 -8.487 -0.968 687 HA GLN 13 HA GLN 13 2.833 -6.850 0.166 688 HB2 GLN 13 HB3 GLN 13 5.522 -7.672 1.343 689 HB3 GLN 13 HB2 GLN 13 4.350 -6.593 2.134 690 HG2 GLN 13 HG3 GLN 13 3.663 -9.422 1.230 691 HG3 GLN 13 HG2 GLN 13 4.242 -9.035 2.868 692 HE21 GLN 13 HE21 GLN 13 2.547 -8.784 4.317 693 HE22 GLN 13 HE22 GLN 13 1.054 -8.138 3.902 694 H LYS 14 H LYS 14 5.728 -6.836 -1.754 695 HA LYS 14 HA LYS 14 6.610 -4.296 -1.030 696 HB2 LYS 14 HB3 LYS 14 6.891 -6.012 -3.505 697 HB3 LYS 14 HB2 LYS 14 7.551 -4.358 -3.455 698 HG2 LYS 14 HG3 LYS 14 8.997 -4.855 -1.636 699 HG3 LYS 14 HG2 LYS 14 8.113 -6.342 -1.236 700 HD2 LYS 14 HD3 LYS 14 10.210 -6.929 -2.321 701 HD3 LYS 14 HD2 LYS 14 8.862 -7.348 -3.398 702 HE2 LYS 14 HE3 LYS 14 10.410 -4.731 -3.582 703 HE3 LYS 14 HE2 LYS 14 10.828 -6.187 -4.515 704 HZ1 LYS 14 HZ1 LYS 14 9.430 -4.798 -5.795 705 HZ2 LYS 14 HZ2 LYS 14 8.583 -6.177 -5.380 706 HZ3 LYS 14 HZ3 LYS 14 8.274 -4.739 -4.593 707 H LYS 15 H LYS 15 3.671 -5.163 -2.693 708 HA LYS 15 HA LYS 15 3.489 -2.725 -4.144 709 HB2 LYS 15 HB3 LYS 15 1.579 -4.867 -3.210 710 HB3 LYS 15 HB2 LYS 15 0.931 -3.252 -3.576 711 HG2 LYS 15 HG3 LYS 15 0.776 -4.341 -5.643 712 HG3 LYS 15 HG2 LYS 15 2.271 -3.396 -5.776 713 HD2 LYS 15 HD3 LYS 15 2.732 -5.579 -6.656 714 HD3 LYS 15 HD2 LYS 15 3.529 -5.503 -5.067 715 HE2 LYS 15 HE3 LYS 15 1.713 -6.766 -4.043 716 HE3 LYS 15 HE2 LYS 15 0.743 -6.662 -5.532 717 HZ1 LYS 15 HZ1 LYS 15 3.342 -8.018 -5.275 718 HZ2 LYS 15 HZ2 LYS 15 1.854 -8.772 -5.345 719 HZ3 LYS 15 HZ3 LYS 15 2.414 -7.911 -6.661 720 H ALA 16 H ALA 16 2.549 -3.842 -0.847 721 HA ALA 16 HA ALA 16 1.443 -1.344 -0.162 722 HB1 ALA 16 HB1 ALA 16 0.922 -3.437 1.045 723 HB2 ALA 16 HB2 ALA 16 2.620 -3.558 1.566 724 HB3 ALA 16 HB3 ALA 16 1.606 -2.218 2.147 725 H LEU 17 H LEU 17 4.807 -2.669 -0.013 726 HA LEU 17 HA LEU 17 5.520 -0.377 1.555 727 HB2 LEU 17 HB3 LEU 17 7.194 -2.509 0.168 728 HB3 LEU 17 HB2 LEU 17 7.897 -1.076 0.952 729 HG LEU 17 HG LEU 17 6.545 -1.720 3.038 730 HD11 LEU 17 HD11 LEU 17 6.421 -4.336 1.473 731 HD12 LEU 17 HD12 LEU 17 5.982 -4.141 3.186 732 HD13 LEU 17 HD13 LEU 17 5.030 -3.321 1.927 733 HD21 LEU 17 HD21 LEU 17 8.773 -3.533 2.024 734 HD22 LEU 17 HD22 LEU 17 8.976 -2.001 2.904 735 HD23 LEU 17 HD23 LEU 17 8.255 -3.406 3.722 736 H ASP 18 H ASP 18 4.814 -0.874 -1.780 737 HA ASP 18 HA ASP 18 6.584 1.227 -2.552 738 HB2 ASP 18 HB3 ASP 18 5.895 -0.347 -4.287 739 HB3 ASP 18 HB2 ASP 18 4.185 0.099 -4.036 740 H LEU 19 H LEU 19 3.131 0.741 -1.845 741 HA LEU 19 HA LEU 19 2.525 3.491 -2.138 742 HB2 LEU 19 HB3 LEU 19 1.139 1.018 -1.075 743 HB3 LEU 19 HB2 LEU 19 0.421 2.630 -0.843 744 HG LEU 19 HG LEU 19 0.229 3.033 -3.163 745 HD11 LEU 19 HD11 LEU 19 1.201 1.565 -4.887 746 HD12 LEU 19 HD12 LEU 19 2.472 2.213 -3.829 747 HD13 LEU 19 HD13 LEU 19 1.913 0.535 -3.628 748 HD21 LEU 19 HD21 LEU 19 -1.417 1.406 -2.258 749 HD22 LEU 19 HD22 LEU 19 -1.065 1.088 -3.974 750 HD23 LEU 19 HD23 LEU 19 -0.336 0.068 -2.711 751 H ALA 20 H ALA 20 4.276 1.885 0.377 752 HA ALA 20 HA ALA 20 3.028 3.446 2.419 753 HB1 ALA 20 HB1 ALA 20 4.208 1.332 2.976 754 HB2 ALA 20 HB2 ALA 20 5.732 2.030 2.374 755 HB3 ALA 20 HB3 ALA 20 4.944 2.720 3.813 756 H PHE 21 H PHE 21 5.212 4.113 -0.146 757 HA PHE 21 HA PHE 21 6.702 6.125 1.193 758 HB2 PHE 21 HB3 PHE 21 7.360 4.952 -0.947 759 HB3 PHE 21 HB2 PHE 21 5.988 5.739 -1.755 760 HD1 PHE 21 HD2 PHE 21 9.233 6.253 -0.216 761 HD2 PHE 21 HD1 PHE 21 6.127 8.045 -2.335 762 HE1 PHE 21 HE2 PHE 21 10.622 8.182 -0.612 763 HE2 PHE 21 HE1 PHE 21 7.504 9.986 -2.716 764 HZ PHE 21 HZ PHE 21 9.750 10.061 -1.845 765 H TYR 22 H TYR 22 4.030 6.046 -1.105 766 HA TYR 22 HA TYR 22 2.608 7.539 -1.833 767 HB2 TYR 22 HB2 TYR 22 0.761 7.563 -0.555 768 HB3 TYR 22 HB3 TYR 22 1.635 6.192 0.096 769 HD1 TYR 22 HD1 TYR 22 3.231 8.966 1.421 770 HD2 TYR 22 HD2 TYR 22 -0.346 6.856 1.671 771 HE1 TYR 22 HE1 TYR 22 2.817 9.923 3.580 772 HE2 TYR 22 HE2 TYR 22 -0.815 7.887 3.791 773 HH TYR 22 HH TYR 22 1.350 10.224 5.408 774 H PHE 23 H PHE 23 4.793 9.135 -1.783 775 HA PHE 23 HA PHE 23 5.256 11.295 -1.966 776 HB2 PHE 23 HB3 PHE 23 2.358 11.616 -1.172 777 HB3 PHE 23 HB2 PHE 23 3.474 12.985 -1.316 778 HD1 PHE 23 HD1 PHE 23 2.513 9.968 -3.267 779 HD2 PHE 23 HD2 PHE 23 3.729 13.959 -3.277 780 HE1 PHE 23 HE1 PHE 23 2.291 10.034 -5.665 781 HE2 PHE 23 HE2 PHE 23 3.501 14.029 -5.674 782 HZ PHE 23 HZ PHE 23 2.781 12.062 -6.869 783 H ASP 24 H ASP 24 3.573 10.771 1.229 784 HA ASP 24 HA ASP 24 5.775 12.441 2.149 785 HB2 ASP 24 HB3 ASP 24 3.519 13.354 2.550 786 HB3 ASP 24 HB2 ASP 24 3.094 11.911 3.492 787 H ARG 25 H ARG 25 6.358 9.772 1.692 788 HA ARG 25 HA ARG 25 7.182 7.949 2.691 789 HB2 ARG 25 HB3 ARG 25 9.003 8.583 4.187 790 HB3 ARG 25 HB2 ARG 25 8.912 9.619 2.751 791 HG2 ARG 25 HG3 ARG 25 7.816 11.388 4.102 792 HG3 ARG 25 HG2 ARG 25 7.892 10.328 5.536 793 HD2 ARG 25 HD3 ARG 25 10.333 10.275 5.394 794 HD3 ARG 25 HD2 ARG 25 10.313 11.230 3.893 795 HE ARG 25 HE ARG 25 9.215 12.316 6.375 796 HH11 ARG 25 HH11 ARG 25 11.449 12.309 3.708 797 HH12 ARG 25 HH12 ARG 25 12.029 13.861 3.983 798 HH21 ARG 25 HH21 ARG 25 10.003 14.468 6.749 799 HH22 ARG 25 HH22 ARG 25 11.190 15.115 5.753 800 H ARG 26 H ARG 26 5.055 6.999 3.753 801 HA ARG 26 HA ARG 26 4.669 7.674 6.448 802 HB2 ARG 26 HB3 ARG 26 4.198 4.950 5.135 803 HB3 ARG 26 HB2 ARG 26 3.570 5.482 6.710 804 HG2 ARG 26 HG3 ARG 26 2.419 7.390 5.506 805 HG3 ARG 26 HG2 ARG 26 2.892 6.615 3.975 806 HD2 ARG 26 HD3 ARG 26 0.630 5.890 4.510 807 HD3 ARG 26 HD2 ARG 26 1.713 4.510 4.801 808 HE ARG 26 HE ARG 26 1.608 5.771 7.180 809 HH11 ARG 26 HH11 ARG 26 -0.715 4.638 4.856 810 HH12 ARG 26 HH12 ARG 26 -1.887 4.229 5.989 811 HH21 ARG 26 HH21 ARG 26 -0.013 5.219 8.752 812 HH22 ARG 26 HH22 ARG 26 -1.480 4.570 8.253 813 H LEU 27 H LEU 27 6.421 7.664 7.775 814 HA LEU 27 HA LEU 27 7.719 5.205 8.328 815 HB2 LEU 27 HB3 LEU 27 8.632 6.023 6.070 816 HB3 LEU 27 HB2 LEU 27 9.347 7.389 6.944 817 HG LEU 27 HG LEU 27 9.864 4.583 7.938 818 HD11 LEU 27 HD11 LEU 27 10.191 4.476 5.488 819 HD12 LEU 27 HD12 LEU 27 11.227 5.922 5.564 820 HD13 LEU 27 HD13 LEU 27 11.754 4.410 6.340 821 HD21 LEU 27 HD21 LEU 27 10.767 6.525 9.184 822 HD22 LEU 27 HD22 LEU 27 12.090 5.610 8.429 823 HD23 LEU 27 HD23 LEU 27 11.534 7.135 7.700 824 H THR 28 H THR 28 6.314 7.048 9.912 825 HA THR 28 HA THR 28 8.471 8.489 11.265 826 HB THR 28 HB THR 28 6.694 9.862 12.231 827 HG1 THR 28 HG1 THR 28 4.545 9.394 11.739 828 HG21 THR 28 HG21 THR 28 7.323 10.409 9.908 829 HG22 THR 28 HG22 THR 28 6.083 9.282 9.304 830 HG23 THR 28 HG23 THR 28 5.597 10.744 10.198 831 HA PRO 29 HA PRO 29 8.235 5.749 14.668 832 HB2 PRO 29 HB3 PRO 29 6.750 7.819 16.298 833 HB3 PRO 29 HB2 PRO 29 8.135 6.789 16.788 834 HG2 PRO 29 HG3 PRO 29 8.566 9.366 16.111 835 HG3 PRO 29 HG2 PRO 29 9.665 8.093 15.486 836 HD2 PRO 29 HD3 PRO 29 7.369 9.472 14.071 837 HD3 PRO 29 HD2 PRO 29 8.988 9.037 13.428 838 H GLU 30 H GLU 30 5.230 7.630 14.280 839 HA GLU 30 HA GLU 30 3.728 5.436 15.343 840 HB2 GLU 30 HB3 GLU 30 3.004 7.780 15.663 841 HB3 GLU 30 HB2 GLU 30 2.871 7.981 13.899 842 HG2 GLU 30 HG3 GLU 30 1.175 6.185 13.812 843 HG3 GLU 30 HG2 GLU 30 1.318 5.951 15.571 844 H TRP 31 H TRP 31 3.977 7.010 12.089 845 HA TRP 31 HA TRP 31 2.167 5.266 10.914 846 HB2 TRP 31 HB3 TRP 31 4.468 6.928 9.832 847 HB3 TRP 31 HB2 TRP 31 3.289 6.085 8.795 848 HD1 TRP 31 HD1 TRP 31 1.253 6.970 11.584 849 HE1 TRP 31 HE1 TRP 31 0.051 9.145 11.281 850 HE3 TRP 31 HE3 TRP 31 4.014 8.764 7.864 851 HZ2 TRP 31 HZ2 TRP 31 0.267 11.330 9.609 852 HZ3 TRP 31 HZ3 TRP 31 3.463 10.931 6.924 853 HH2 TRP 31 HH2 TRP 31 1.613 12.198 7.789 854 H ARG 32 H ARG 32 5.760 5.051 11.081 855 HA ARG 32 HA ARG 32 6.020 2.849 9.431 856 HB2 ARG 32 HB3 ARG 32 7.733 4.464 10.524 857 HB3 ARG 32 HB2 ARG 32 7.626 3.412 11.949 858 HG2 ARG 32 HG3 ARG 32 8.297 1.474 10.473 859 HG3 ARG 32 HG2 ARG 32 8.504 2.637 9.138 860 HD2 ARG 32 HD3 ARG 32 10.036 2.516 11.770 861 HD3 ARG 32 HD2 ARG 32 10.679 2.412 10.113 862 HE ARG 32 HE ARG 32 9.687 4.795 10.009 863 HH11 ARG 32 HH11 ARG 32 11.267 3.199 12.671 864 HH12 ARG 32 HH12 ARG 32 11.833 4.613 13.380 865 HH21 ARG 32 HH21 ARG 32 10.433 6.746 11.020 866 HH22 ARG 32 HH22 ARG 32 11.360 6.666 12.421 867 H ARG 33 H ARG 33 5.523 3.056 13.001 868 HA ARG 33 HA ARG 33 5.481 0.221 13.215 869 HB2 ARG 33 HB3 ARG 33 6.267 1.445 15.099 870 HB3 ARG 33 HB2 ARG 33 4.870 2.543 15.078 871 HG2 ARG 33 HG3 ARG 33 4.429 -0.425 15.466 872 HG3 ARG 33 HG2 ARG 33 4.944 0.593 16.834 873 HD2 ARG 33 HD3 ARG 33 3.054 2.142 16.402 874 HD3 ARG 33 HD2 ARG 33 2.500 1.090 15.082 875 HE ARG 33 HE ARG 33 2.748 -0.423 17.406 876 HH11 ARG 33 HH11 ARG 33 0.916 2.176 15.990 877 HH12 ARG 33 HH12 ARG 33 -0.501 1.843 16.830 878 HH21 ARG 33 HH21 ARG 33 0.781 -0.881 18.568 879 HH22 ARG 33 HH22 ARG 33 -0.578 0.075 18.321 880 H TYR 34 H TYR 34 3.103 2.531 12.224 881 HA TYR 34 HA TYR 34 0.897 1.106 13.347 882 HB2 TYR 34 HB3 TYR 34 0.881 3.557 12.746 883 HB3 TYR 34 HB2 TYR 34 1.054 3.094 11.039 884 HD1 TYR 34 HD1 TYR 34 -1.056 2.290 13.962 885 HD2 TYR 34 HD2 TYR 34 -0.875 2.912 9.839 886 HE1 TYR 34 HE1 TYR 34 -3.457 2.136 13.834 887 HE2 TYR 34 HE2 TYR 34 -3.278 2.775 9.713 888 HH TYR 34 HH TYR 34 -5.420 2.235 12.519 889 H LEU 35 H LEU 35 2.464 1.465 10.154 890 HA LEU 35 HA LEU 35 0.808 -0.300 8.783 891 HB2 LEU 35 HB3 LEU 35 3.738 0.476 8.435 892 HB3 LEU 35 HB2 LEU 35 2.787 -0.426 7.230 893 HG LEU 35 HG LEU 35 2.068 2.328 8.321 894 HD11 LEU 35 HD11 LEU 35 3.219 1.481 5.627 895 HD12 LEU 35 HD12 LEU 35 2.715 3.129 6.072 896 HD13 LEU 35 HD13 LEU 35 4.093 2.366 6.900 897 HD21 LEU 35 HD21 LEU 35 0.115 0.989 7.681 898 HD22 LEU 35 HD22 LEU 35 0.390 2.271 6.478 899 HD23 LEU 35 HD23 LEU 35 0.871 0.596 6.119 900 H SER 36 H SER 36 3.894 -0.851 10.582 901 HA SER 36 HA SER 36 4.148 -3.456 9.647 902 HB2 SER 36 HB3 SER 36 5.753 -3.737 11.458 903 HB3 SER 36 HB2 SER 36 5.966 -2.120 10.744 904 HG SER 36 HG SER 36 5.920 -2.233 13.047 905 H GLN 37 H GLN 37 1.704 -2.312 11.807 906 HA GLN 37 HA GLN 37 1.735 -4.487 13.581 907 HB2 GLN 37 HB3 GLN 37 0.484 -2.360 13.937 908 HB3 GLN 37 HB2 GLN 37 -0.590 -2.785 12.583 909 HG2 GLN 37 HG3 GLN 37 -1.584 -3.412 14.777 910 HG3 GLN 37 HG2 GLN 37 -1.279 -4.847 13.769 911 HE21 GLN 37 HE21 GLN 37 0.710 -2.812 16.029 912 HE22 GLN 37 HE22 GLN 37 1.317 -4.140 16.859 913 H ARG 38 H ARG 38 0.005 -3.945 10.427 914 HA ARG 38 HA ARG 38 -0.506 -6.828 10.607 915 HB2 ARG 38 HB3 ARG 38 -2.202 -4.655 9.307 916 HB3 ARG 38 HB2 ARG 38 -2.517 -6.405 9.219 917 HG2 ARG 38 HG3 ARG 38 -2.602 -6.458 11.741 918 HG3 ARG 38 HG2 ARG 38 -2.473 -4.681 11.730 919 HD2 ARG 38 HD3 ARG 38 -4.829 -5.238 11.849 920 HD3 ARG 38 HD2 ARG 38 -4.502 -4.647 10.200 921 HE ARG 38 HE ARG 38 -4.285 -7.487 10.563 922 HH11 ARG 38 HH11 ARG 38 -6.292 -4.745 9.733 923 HH12 ARG 38 HH12 ARG 38 -7.448 -5.662 8.933 924 HH21 ARG 38 HH21 ARG 38 -5.862 -8.716 9.440 925 HH22 ARG 38 HH22 ARG 38 -7.185 -7.964 8.729 926 H LEU 39 H LEU 39 1.428 -4.618 9.019 927 HA LEU 39 HA LEU 39 0.914 -5.473 6.371 928 HB2 LEU 39 HB3 LEU 39 1.981 -3.320 6.935 929 HB3 LEU 39 HB2 LEU 39 3.386 -4.191 7.597 930 HG LEU 39 HG LEU 39 3.824 -5.190 5.386 931 HD11 LEU 39 HD11 LEU 39 2.447 -4.559 3.446 932 HD12 LEU 39 HD12 LEU 39 1.429 -5.329 4.683 933 HD13 LEU 39 HD13 LEU 39 1.404 -3.559 4.487 934 HD21 LEU 39 HD21 LEU 39 4.787 -2.957 5.853 935 HD22 LEU 39 HD22 LEU 39 4.308 -3.057 4.142 936 HD23 LEU 39 HD23 LEU 39 3.286 -2.180 5.300 937 H GLY 40 H GLY 40 3.384 -6.444 8.855 938 HA2 GLY 40 HA3 GLY 40 3.500 -8.895 8.905 939 HA3 GLY 40 HA2 GLY 40 3.673 -8.811 7.143 940 H LEU 41 H LEU 41 5.476 -6.202 8.027 941 HA LEU 41 HA LEU 41 7.678 -7.947 8.794 942 HB2 LEU 41 HB3 LEU 41 9.171 -6.406 7.421 943 HB3 LEU 41 HB2 LEU 41 8.183 -7.578 6.531 944 HG LEU 41 HG LEU 41 8.283 -5.153 5.633 945 HD11 LEU 41 HD11 LEU 41 6.700 -6.914 4.883 946 HD12 LEU 41 HD12 LEU 41 5.583 -6.452 6.189 947 HD13 LEU 41 HD13 LEU 41 5.950 -5.301 4.886 948 HD21 LEU 41 HD21 LEU 41 7.885 -4.022 7.800 949 HD22 LEU 41 HD22 LEU 41 6.604 -3.632 6.631 950 HD23 LEU 41 HD23 LEU 41 6.296 -4.814 7.925 951 H ASN 42 H ASN 42 9.601 -6.472 9.610 952 HA ASN 42 HA ASN 42 8.378 -5.077 11.768 953 HB2 ASN 42 HB3 ASN 42 11.265 -5.596 10.971 954 HB3 ASN 42 HB2 ASN 42 10.807 -4.694 12.435 955 HD21 ASN 42 HD21 ASN 42 12.224 -7.007 12.873 956 HD22 ASN 42 HD22 ASN 42 11.189 -8.192 13.463 957 H GLU 43 H GLU 43 9.278 -2.897 12.437 958 HA GLU 43 HA GLU 43 8.684 -1.036 10.458 959 HB2 GLU 43 HB3 GLU 43 10.405 -0.635 12.947 960 HB3 GLU 43 HB2 GLU 43 9.496 0.604 12.061 961 HG2 GLU 43 HG3 GLU 43 8.191 0.063 13.989 962 HG3 GLU 43 HG2 GLU 43 7.380 -0.722 12.613 963 H GLU 44 H GLU 44 11.719 -2.604 11.413 964 HA GLU 44 HA GLU 44 13.425 -0.740 10.213 965 HB2 GLU 44 HB3 GLU 44 13.639 -3.748 10.701 966 HB3 GLU 44 HB2 GLU 44 14.994 -2.716 10.189 967 HG2 GLU 44 HG3 GLU 44 13.359 -2.378 12.743 968 HG3 GLU 44 HG2 GLU 44 15.018 -3.013 12.637 969 H GLN 45 H GLN 45 11.433 -3.396 8.879 970 HA GLN 45 HA GLN 45 12.961 -3.382 6.471 971 HB2 GLN 45 HB3 GLN 45 10.238 -4.580 7.139 972 HB3 GLN 45 HB2 GLN 45 11.197 -4.924 5.677 973 HG2 GLN 45 HG3 GLN 45 12.061 -5.446 8.557 974 HG3 GLN 45 HG2 GLN 45 11.569 -6.678 7.372 975 HE21 GLN 45 HE21 GLN 45 12.892 -6.262 5.113 976 HE22 GLN 45 HE22 GLN 45 14.544 -6.090 5.364 977 H ILE 46 H ILE 46 10.562 -1.300 7.770 978 HA ILE 46 HA ILE 46 9.381 -0.653 5.246 979 HB ILE 46 HB ILE 46 9.639 0.917 7.857 980 HG12 ILE 46 HG13 ILE 46 8.330 -1.192 8.067 981 HG13 ILE 46 HG12 ILE 46 7.293 0.247 8.222 982 HG21 ILE 46 HG21 ILE 46 9.278 2.362 5.877 983 HG22 ILE 46 HG22 ILE 46 7.876 1.371 5.410 984 HG23 ILE 46 HG23 ILE 46 7.833 2.321 6.915 985 HD11 ILE 46 HD11 ILE 46 6.666 0.044 5.826 986 HD12 ILE 46 HD12 ILE 46 7.680 -1.412 5.690 987 HD13 ILE 46 HD13 ILE 46 6.240 -1.424 6.736 988 H GLU 47 H GLU 47 12.024 0.521 7.370 989 HA GLU 47 HA GLU 47 12.726 2.631 5.686 990 HB2 GLU 47 HB3 GLU 47 14.362 0.996 7.675 991 HB3 GLU 47 HB2 GLU 47 14.900 2.519 6.927 992 HG2 GLU 47 HG3 GLU 47 12.953 3.695 7.889 993 HG3 GLU 47 HG2 GLU 47 12.393 2.178 8.633 994 H ARG 48 H ARG 48 13.429 -0.855 5.394 995 HA ARG 48 HA ARG 48 15.702 -0.301 3.749 996 HB2 ARG 48 HB3 ARG 48 14.210 -2.747 4.633 997 HB3 ARG 48 HB2 ARG 48 15.143 -2.833 3.120 998 HG2 ARG 48 HG3 ARG 48 16.606 -3.488 4.945 999 HG3 ARG 48 HG2 ARG 48 17.135 -1.908 4.323 1000 HD2 ARG 48 HD3 ARG 48 15.879 -0.790 6.168 1001 HD3 ARG 48 HD2 ARG 48 15.401 -2.396 6.776 1002 HE ARG 48 HE ARG 48 18.172 -2.301 6.529 1003 HH11 ARG 48 HH11 ARG 48 15.506 -0.983 8.340 1004 HH12 ARG 48 HH12 ARG 48 16.380 -0.748 9.755 1005 HH21 ARG 48 HH21 ARG 48 19.378 -1.987 8.488 1006 HH22 ARG 48 HH22 ARG 48 18.627 -1.337 9.843 1007 H TRP 49 H TRP 49 12.270 -1.411 2.985 1008 HA TRP 49 HA TRP 49 13.067 -1.265 0.266 1009 HB2 TRP 49 HB3 TRP 49 11.129 -2.682 1.091 1010 HB3 TRP 49 HB2 TRP 49 10.198 -1.169 1.249 1011 HD1 TRP 49 HD1 TRP 49 8.876 -0.682 -0.961 1012 HE1 TRP 49 HE1 TRP 49 9.238 -1.061 -3.408 1013 HE3 TRP 49 HE3 TRP 49 13.263 -2.997 -0.652 1014 HZ2 TRP 49 HZ2 TRP 49 11.217 -2.159 -4.990 1015 HZ3 TRP 49 HZ3 TRP 49 14.371 -3.696 -2.694 1016 HH2 TRP 49 HH2 TRP 49 13.365 -3.271 -4.834 1017 H PHE 50 H PHE 50 11.863 1.013 2.631 1018 HA PHE 50 HA PHE 50 10.857 2.968 0.965 1019 HB2 PHE 50 HB3 PHE 50 10.721 3.047 3.437 1020 HB3 PHE 50 HB2 PHE 50 12.494 3.189 3.525 1021 HD1 PHE 50 HD1 PHE 50 9.490 4.848 2.203 1022 HD2 PHE 50 HD2 PHE 50 13.496 5.250 3.307 1023 HE1 PHE 50 HE1 PHE 50 9.311 7.241 2.000 1024 HE2 PHE 50 HE2 PHE 50 13.324 7.642 3.068 1025 HZ PHE 50 HZ PHE 50 11.227 8.638 2.422 1026 H ARG 51 H ARG 51 14.286 2.525 2.133 1027 HA ARG 51 HA ARG 51 14.947 4.784 0.520 1028 HB2 ARG 51 HB3 ARG 51 17.221 4.454 1.288 1029 HB3 ARG 51 HB2 ARG 51 16.083 4.358 2.645 1030 HG2 ARG 51 HG3 ARG 51 17.349 2.523 3.145 1031 HG3 ARG 51 HG2 ARG 51 16.200 1.732 2.041 1032 HD2 ARG 51 HD3 ARG 51 17.790 2.070 0.167 1033 HD3 ARG 51 HD2 ARG 51 18.905 2.926 1.253 1034 HE ARG 51 HE ARG 51 18.151 0.127 1.671 1035 HH11 ARG 51 HH11 ARG 51 20.415 2.761 1.438 1036 HH12 ARG 51 HH12 ARG 51 21.756 1.851 1.877 1037 HH21 ARG 51 HH21 ARG 51 20.003 -1.128 2.282 1038 HH22 ARG 51 HH22 ARG 51 21.518 -0.406 2.367 1039 H ARG 52 H ARG 52 15.143 1.218 0.160 1040 HA ARG 52 HA ARG 52 16.680 1.367 -2.185 1041 HB2 ARG 52 HB3 ARG 52 14.571 -0.625 -1.260 1042 HB3 ARG 52 HB2 ARG 52 15.650 -0.891 -2.646 1043 HG2 ARG 52 HG3 ARG 52 16.774 -0.251 0.100 1044 HG3 ARG 52 HG2 ARG 52 16.294 -1.905 -0.339 1045 HD2 ARG 52 HD3 ARG 52 18.608 -1.767 -0.858 1046 HD3 ARG 52 HD2 ARG 52 17.753 -1.673 -2.413 1047 HE ARG 52 HE ARG 52 18.286 0.884 -1.298 1048 HH11 ARG 52 HH11 ARG 52 19.588 -1.855 -3.001 1049 HH12 ARG 52 HH12 ARG 52 20.808 -0.996 -3.773 1050 HH21 ARG 52 HH21 ARG 52 19.982 2.074 -2.365 1051 HH22 ARG 52 HH22 ARG 52 21.032 1.281 -3.409 1052 H LYS 53 H LYS 53 13.437 2.380 -1.555 1053 HA LYS 53 HA LYS 53 12.150 1.847 -3.908 1054 HB2 LYS 53 HB3 LYS 53 11.185 2.964 -1.865 1055 HB3 LYS 53 HB2 LYS 53 12.105 4.430 -2.281 1056 HG2 LYS 53 HG3 LYS 53 9.811 4.627 -3.129 1057 HG3 LYS 53 HG2 LYS 53 10.944 4.489 -4.499 1058 HD2 LYS 53 HD3 LYS 53 8.963 2.997 -4.790 1059 HD3 LYS 53 HD2 LYS 53 10.475 2.065 -4.643 1060 HE2 LYS 53 HE3 LYS 53 8.777 1.040 -3.225 1061 HE3 LYS 53 HE2 LYS 53 10.010 1.795 -2.185 1062 HZ1 LYS 53 HZ1 LYS 53 8.574 3.691 -1.969 1063 HZ2 LYS 53 HZ2 LYS 53 7.440 2.983 -2.980 1064 HZ3 LYS 53 HZ3 LYS 53 7.772 2.296 -1.489 1065 H GLU 54 H GLU 54 14.081 4.792 -3.089 1066 HA GLU 54 HA GLU 54 13.992 5.334 -5.950 1067 HB2 GLU 54 HB3 GLU 54 14.573 7.661 -5.225 1068 HB3 GLU 54 HB2 GLU 54 13.071 7.078 -4.467 1069 HG2 GLU 54 HG3 GLU 54 14.373 6.433 -2.443 1070 HG3 GLU 54 HG2 GLU 54 15.851 7.071 -3.204 1071 H GLN 55 H GLN 55 16.187 4.170 -3.538 1072 HA GLN 55 HA GLN 55 18.396 5.456 -4.855 1073 HB2 GLN 55 HB3 GLN 55 18.250 3.338 -2.671 1074 HB3 GLN 55 HB2 GLN 55 19.756 4.082 -3.259 1075 HG2 GLN 55 HG3 GLN 55 17.412 5.680 -2.144 1076 HG3 GLN 55 HG2 GLN 55 18.801 5.151 -1.164 1077 HE21 GLN 55 HE21 GLN 55 20.329 6.749 -0.955 1078 HE22 GLN 55 HE22 GLN 55 20.692 7.872 -2.150 1079 H GLN 56 H GLN 56 16.435 2.768 -5.547 1080 HA GLN 56 HA GLN 56 18.461 1.018 -6.428 1081 HB2 GLN 56 HB3 GLN 56 16.120 0.326 -5.974 1082 HB3 GLN 56 HB2 GLN 56 15.567 1.340 -7.329 1083 HG2 GLN 56 HG3 GLN 56 15.800 -1.002 -8.055 1084 HG3 GLN 56 HG2 GLN 56 17.010 0.011 -8.876 1085 HE21 GLN 56 HE21 GLN 56 18.999 -1.000 -8.941 1086 HE22 GLN 56 HE22 GLN 56 19.600 -1.976 -7.713 1087 H ILE 57 H ILE 57 16.460 3.516 -8.167 1088 HA ILE 57 HA ILE 57 18.400 3.076 -10.324 1089 HB ILE 57 HB ILE 57 16.588 3.566 -11.885 1090 HG12 ILE 57 HG13 ILE 57 15.484 5.220 -10.306 1091 HG13 ILE 57 HG12 ILE 57 14.374 4.139 -11.167 1092 HG21 ILE 57 HG21 ILE 57 15.103 1.645 -11.466 1093 HG22 ILE 57 HG22 ILE 57 16.785 1.218 -11.073 1094 HG23 ILE 57 HG23 ILE 57 15.632 1.588 -9.769 1095 HD11 ILE 57 HD11 ILE 57 15.340 3.798 -8.295 1096 HD12 ILE 57 HD12 ILE 57 13.709 4.278 -8.814 1097 HD13 ILE 57 HD13 ILE 57 14.308 2.640 -9.168 1098 H GLY 58 H GLY 58 17.271 5.502 -8.110 1099 HA2 GLY 58 HA3 GLY 58 18.465 7.600 -8.408 1100 HA3 GLY 58 HA2 GLY 58 18.139 7.427 -10.145 1101 H TRP 59 H TRP 59 15.703 6.621 -7.731 1102 HA TRP 59 HA TRP 59 13.822 7.612 -7.102 1103 HB2 TRP 59 HB3 TRP 59 15.273 9.483 -6.487 1104 HB3 TRP 59 HB2 TRP 59 15.156 10.129 -8.139 1105 HD1 TRP 59 HD1 TRP 59 12.702 9.284 -5.247 1106 HE1 TRP 59 HE1 TRP 59 10.828 10.941 -5.335 1107 HE3 TRP 59 HE3 TRP 59 14.131 11.713 -9.343 1108 HZ2 TRP 59 HZ2 TRP 59 10.093 13.040 -6.967 1109 HZ3 TRP 59 HZ3 TRP 59 12.797 13.584 -10.126 1110 HH2 TRP 59 HH2 TRP 59 10.804 14.235 -8.953 1111 H SER 60 H SER 60 14.162 6.819 -10.222 1112 HA SER 60 HA SER 60 12.109 8.648 -11.081 1113 HB2 SER 60 HB3 SER 60 12.224 7.510 -13.235 1114 HB3 SER 60 HB2 SER 60 13.855 7.951 -12.685 1115 HG SER 60 HG SER 60 13.726 5.857 -13.503 1116 H HIS 61 H HIS 61 12.211 5.731 -9.350 1117 HA HIS 61 HA HIS 61 10.605 4.469 -8.541 1118 HB2 HIS 61 HB3 HIS 61 9.564 6.697 -8.204 1119 HB3 HIS 61 HB2 HIS 61 8.704 6.520 -9.751 1120 HD1 HIS 61 HD1 HIS 61 7.097 4.292 -9.784 1121 HD2 HIS 61 HD2 HIS 61 8.412 5.620 -6.141 1122 HE1 HIS 61 HE1 HIS 61 5.643 3.244 -8.037 1123 HE2 HIS 61 HE2 HIS 61 6.478 4.043 -5.818 1124 HA PRO 62 HA PRO 62 8.934 2.699 -12.404 1125 HB2 PRO 62 HB3 PRO 62 10.881 1.399 -13.724 1126 HB3 PRO 62 HB2 PRO 62 10.861 3.195 -13.797 1127 HG2 PRO 62 HG3 PRO 62 12.500 1.408 -11.961 1128 HG3 PRO 62 HG2 PRO 62 13.067 2.793 -12.946 1129 HD2 PRO 62 HD3 PRO 62 12.324 2.960 -10.244 1130 HD3 PRO 62 HD2 PRO 62 12.273 4.332 -11.401 1131 H GLN 63 H GLN 63 10.561 1.591 -9.666 1132 HA GLN 63 HA GLN 63 10.730 -1.099 -10.534 1133 HB2 GLN 63 HB3 GLN 63 11.443 -1.636 -8.311 1134 HB3 GLN 63 HB2 GLN 63 12.242 -0.120 -8.788 1135 HG2 GLN 63 HG3 GLN 63 9.667 -0.258 -7.145 1136 HG3 GLN 63 HG2 GLN 63 11.300 -0.108 -6.450 1137 HE21 GLN 63 HE21 GLN 63 8.728 1.765 -7.058 1138 HE22 GLN 63 HE22 GLN 63 9.506 3.179 -7.522 1139 H PHE 64 H PHE 64 8.007 0.730 -9.679 1140 HA PHE 64 HA PHE 64 6.627 -1.209 -8.188 1141 HB2 PHE 64 HB3 PHE 64 5.785 1.139 -8.597 1142 HB3 PHE 64 HB2 PHE 64 5.547 0.695 -10.306 1143 HD1 PHE 64 HD1 PHE 64 4.659 -0.411 -6.902 1144 HD2 PHE 64 HD2 PHE 64 3.548 -0.274 -10.920 1145 HE1 PHE 64 HE1 PHE 64 2.519 -1.363 -6.343 1146 HE2 PHE 64 HE2 PHE 64 1.421 -1.257 -10.368 1147 HZ PHE 64 HZ PHE 64 0.901 -1.797 -8.077 1148 H GLU 65 H GLU 65 7.244 -0.707 -11.694 1149 HA GLU 65 HA GLU 65 5.863 -3.252 -12.090 1150 HB2 GLU 65 HB3 GLU 65 6.625 -1.050 -14.064 1151 HB3 GLU 65 HB2 GLU 65 5.811 -2.574 -14.489 1152 HG2 GLU 65 HG3 GLU 65 3.925 -1.976 -12.979 1153 HG3 GLU 65 HG2 GLU 65 4.741 -0.440 -12.595 1154 H LYS 66 H LYS 66 8.983 -1.939 -11.730 1155 HA LYS 66 HA LYS 66 9.981 -4.156 -13.371 1156 HB2 LYS 66 HB3 LYS 66 11.311 -1.505 -12.636 1157 HB3 LYS 66 HB2 LYS 66 12.098 -2.842 -13.506 1158 HG2 LYS 66 HG3 LYS 66 10.330 -2.684 -15.276 1159 HG3 LYS 66 HG2 LYS 66 9.664 -1.261 -14.438 1160 HD2 LYS 66 HD3 LYS 66 11.867 -0.117 -14.678 1161 HD3 LYS 66 HD2 LYS 66 12.495 -1.533 -15.551 1162 HE2 LYS 66 HE3 LYS 66 10.102 0.152 -16.418 1163 HE3 LYS 66 HE2 LYS 66 11.736 0.248 -17.116 1164 HZ1 LYS 66 HZ1 LYS 66 10.019 -2.140 -17.075 1165 HZ2 LYS 66 HZ2 LYS 66 10.308 -1.165 -18.398 1166 HZ3 LYS 66 HZ3 LYS 66 11.553 -2.049 -17.726 Start of MODEL 5 1 H1 MET 1 H1 MET 1 -5.808 -15.930 5.283 2 H2 MET 1 H2 MET 1 -6.496 -17.021 4.224 3 H3 MET 1 H3 MET 1 -6.565 -15.385 3.899 4 HA MET 1 HA MET 1 -4.117 -17.022 3.992 5 HB2 MET 1 HB3 MET 1 -5.691 -15.771 1.689 6 HB3 MET 1 HB2 MET 1 -4.068 -16.488 1.542 7 HG2 MET 1 HG3 MET 1 -5.687 -18.163 0.880 8 HG3 MET 1 HG2 MET 1 -5.002 -18.646 2.451 9 HE1 MET 1 HE1 MET 1 -6.784 -20.256 2.698 10 HE2 MET 1 HE2 MET 1 -8.529 -19.951 2.534 11 HE3 MET 1 HE3 MET 1 -7.455 -19.754 1.129 12 H GLU 2 H GLU 2 -4.134 -14.535 1.729 13 HA GLU 2 HA GLU 2 -3.616 -12.319 3.361 14 HB2 GLU 2 HB3 GLU 2 -1.575 -13.820 3.859 15 HB3 GLU 2 HB2 GLU 2 -1.154 -13.650 2.140 16 HG2 GLU 2 HG3 GLU 2 0.061 -11.954 3.378 17 HG3 GLU 2 HG2 GLU 2 -1.232 -11.128 2.473 18 H LYS 3 H LYS 3 -2.178 -13.870 0.431 19 HA LYS 3 HA LYS 3 -2.756 -11.556 -1.123 20 HB2 LYS 3 HB3 LYS 3 -2.032 -12.955 -2.996 21 HB3 LYS 3 HB2 LYS 3 -0.919 -13.168 -1.627 22 HG2 LYS 3 HG3 LYS 3 -1.300 -15.371 -2.361 23 HG3 LYS 3 HG2 LYS 3 -2.427 -15.201 -0.994 24 HD2 LYS 3 HD3 LYS 3 -3.557 -16.245 -2.926 25 HD3 LYS 3 HD2 LYS 3 -4.245 -14.632 -2.628 26 HE2 LYS 3 HE3 LYS 3 -2.783 -13.680 -4.389 27 HE3 LYS 3 HE2 LYS 3 -2.081 -15.290 -4.676 28 HZ1 LYS 3 HZ1 LYS 3 -3.807 -14.808 -6.234 29 HZ2 LYS 3 HZ2 LYS 3 -4.272 -16.069 -5.244 30 HZ3 LYS 3 HZ3 LYS 3 -4.905 -14.542 -5.005 31 H ARG 4 H ARG 4 -4.755 -11.165 -2.153 32 HA ARG 4 HA ARG 4 -6.955 -12.568 -1.205 33 HB2 ARG 4 HB3 ARG 4 -7.122 -10.269 -2.023 34 HB3 ARG 4 HB2 ARG 4 -6.571 -10.778 -3.639 35 HG2 ARG 4 HG3 ARG 4 -8.988 -10.597 -3.700 36 HG3 ARG 4 HG2 ARG 4 -8.550 -12.317 -3.759 37 HD2 ARG 4 HD3 ARG 4 -8.797 -12.235 -1.163 38 HD3 ARG 4 HD2 ARG 4 -9.707 -10.737 -1.446 39 HE ARG 4 HE ARG 4 -10.681 -12.680 -3.167 40 HH11 ARG 4 HH11 ARG 4 -10.423 -12.009 0.242 41 HH12 ARG 4 HH12 ARG 4 -11.816 -12.847 0.663 42 HH21 ARG 4 HH21 ARG 4 -12.592 -13.840 -2.577 43 HH22 ARG 4 HH22 ARG 4 -13.072 -13.908 -0.969 44 HA PRO 5 HA PRO 5 -6.649 -16.132 -3.845 45 HB2 PRO 5 HB3 PRO 5 -9.571 -16.145 -3.055 46 HB3 PRO 5 HB2 PRO 5 -8.439 -17.532 -3.179 47 HG2 PRO 5 HG3 PRO 5 -8.960 -16.483 -0.758 48 HG3 PRO 5 HG2 PRO 5 -7.254 -16.823 -1.205 49 HD2 PRO 5 HD3 PRO 5 -8.731 -14.181 -1.266 50 HD3 PRO 5 HD2 PRO 5 -7.071 -14.528 -0.683 51 H ARG 6 H ARG 6 -9.658 -14.062 -4.218 52 HA ARG 6 HA ARG 6 -8.928 -14.440 -7.048 53 HB2 ARG 6 HB3 ARG 6 -11.681 -14.339 -5.747 54 HB3 ARG 6 HB2 ARG 6 -11.411 -14.033 -7.472 55 HG2 ARG 6 HG3 ARG 6 -11.972 -16.283 -7.457 56 HG3 ARG 6 HG2 ARG 6 -10.196 -16.340 -7.484 57 HD2 ARG 6 HD3 ARG 6 -10.152 -16.740 -5.068 58 HD3 ARG 6 HD2 ARG 6 -11.912 -16.523 -4.958 59 HE ARG 6 HE ARG 6 -10.808 -18.635 -6.639 60 HH11 ARG 6 HH11 ARG 6 -12.572 -17.503 -3.858 61 HH12 ARG 6 HH12 ARG 6 -13.238 -18.998 -3.480 62 HH21 ARG 6 HH21 ARG 6 -11.741 -20.698 -6.119 63 HH22 ARG 6 HH22 ARG 6 -12.758 -20.848 -4.790 64 H THR 7 H THR 7 -11.562 -12.311 -5.762 65 HA THR 7 HA THR 7 -9.752 -10.120 -6.354 66 HB THR 7 HB THR 7 -11.501 -9.042 -7.773 67 HG1 THR 7 HG1 THR 7 -13.208 -10.256 -6.944 68 HG21 THR 7 HG21 THR 7 -11.078 -10.337 -9.790 69 HG22 THR 7 HG22 THR 7 -9.606 -10.317 -8.791 70 HG23 THR 7 HG23 THR 7 -10.640 -11.766 -8.829 71 H GLU 8 H GLU 8 -10.883 -10.677 -3.658 72 HA GLU 8 HA GLU 8 -12.627 -8.324 -3.670 73 HB2 GLU 8 HB3 GLU 8 -12.866 -10.830 -1.970 74 HB3 GLU 8 HB2 GLU 8 -13.781 -9.335 -1.689 75 HG2 GLU 8 HG3 GLU 8 -13.829 -10.884 -4.310 76 HG3 GLU 8 HG2 GLU 8 -15.038 -11.074 -3.022 77 H PHE 9 H PHE 9 -10.119 -7.618 -3.291 78 HA PHE 9 HA PHE 9 -8.507 -7.086 -1.758 79 HB2 PHE 9 HB3 PHE 9 -9.416 -5.089 -0.550 80 HB3 PHE 9 HB2 PHE 9 -9.776 -5.147 -2.289 81 HD1 PHE 9 HD2 PHE 9 -11.247 -5.868 1.007 82 HD2 PHE 9 HD1 PHE 9 -11.935 -5.144 -3.044 83 HE1 PHE 9 HE2 PHE 9 -13.615 -5.764 1.429 84 HE2 PHE 9 HE1 PHE 9 -14.303 -5.011 -2.618 85 HZ PHE 9 HZ PHE 9 -15.144 -5.327 -0.382 86 H SER 10 H SER 10 -7.923 -8.892 -0.362 87 HA SER 10 HA SER 10 -9.536 -9.091 2.030 88 HB2 SER 10 HB3 SER 10 -6.946 -10.477 1.202 89 HB3 SER 10 HB2 SER 10 -7.801 -10.760 2.734 90 HG SER 10 HG SER 10 -8.290 -12.269 1.150 91 H GLU 11 H GLU 11 -8.085 -9.129 4.120 92 HA GLU 11 HA GLU 11 -7.481 -6.719 4.942 93 HB2 GLU 11 HB3 GLU 11 -6.097 -9.352 5.529 94 HB3 GLU 11 HB2 GLU 11 -5.806 -7.870 6.467 95 HG2 GLU 11 HG3 GLU 11 -7.550 -9.206 7.555 96 HG3 GLU 11 HG2 GLU 11 -8.255 -7.698 6.928 97 H GLU 12 H GLU 12 -4.918 -8.733 3.304 98 HA GLU 12 HA GLU 12 -2.999 -6.720 3.719 99 HB2 GLU 12 HB3 GLU 12 -2.417 -9.048 3.240 100 HB3 GLU 12 HB2 GLU 12 -3.195 -8.940 1.648 101 HG2 GLU 12 HG3 GLU 12 -0.746 -8.669 1.467 102 HG3 GLU 12 HG2 GLU 12 -1.580 -7.177 0.980 103 H GLN 13 H GLN 13 -5.339 -7.329 1.039 104 HA GLN 13 HA GLN 13 -4.084 -5.250 -0.479 105 HB2 GLN 13 HB3 GLN 13 -6.763 -6.679 -0.772 106 HB3 GLN 13 HB2 GLN 13 -6.101 -5.507 -1.932 107 HG2 GLN 13 HG3 GLN 13 -5.584 -7.681 -2.784 108 HG3 GLN 13 HG2 GLN 13 -4.059 -7.028 -2.143 109 HE21 GLN 13 HE21 GLN 13 -2.956 -8.741 -1.185 110 HE22 GLN 13 HE22 GLN 13 -3.685 -9.870 -0.172 111 H LYS 14 H LYS 14 -6.501 -5.454 2.053 112 HA LYS 14 HA LYS 14 -7.848 -3.054 1.396 113 HB2 LYS 14 HB3 LYS 14 -7.384 -4.547 4.019 114 HB3 LYS 14 HB2 LYS 14 -8.406 -3.104 3.871 115 HG2 LYS 14 HG3 LYS 14 -9.875 -4.266 2.276 116 HG3 LYS 14 HG2 LYS 14 -8.836 -5.706 2.345 117 HD2 LYS 14 HD3 LYS 14 -9.272 -5.899 4.784 118 HD3 LYS 14 HD2 LYS 14 -10.323 -4.470 4.709 119 HE2 LYS 14 HE3 LYS 14 -11.872 -5.628 3.223 120 HE3 LYS 14 HE2 LYS 14 -10.780 -7.031 3.116 121 HZ1 LYS 14 HZ1 LYS 14 -11.079 -7.454 5.385 122 HZ2 LYS 14 HZ2 LYS 14 -11.958 -6.050 5.621 123 HZ3 LYS 14 HZ3 LYS 14 -12.593 -7.292 4.704 124 H LYS 15 H LYS 15 -5.047 -3.939 3.460 125 HA LYS 15 HA LYS 15 -4.600 -1.295 4.308 126 HB2 LYS 15 HB3 LYS 15 -3.705 -3.276 5.488 127 HB3 LYS 15 HB2 LYS 15 -2.681 -3.650 4.080 128 HG2 LYS 15 HG3 LYS 15 -1.540 -1.480 4.308 129 HG3 LYS 15 HG2 LYS 15 -2.595 -1.044 5.673 130 HD2 LYS 15 HD3 LYS 15 -0.333 -1.941 6.373 131 HD3 LYS 15 HD2 LYS 15 -1.705 -2.880 7.016 132 HE2 LYS 15 HE3 LYS 15 0.108 -4.334 6.028 133 HE3 LYS 15 HE2 LYS 15 -1.475 -4.531 5.236 134 HZ1 LYS 15 HZ1 LYS 15 0.814 -2.961 4.279 135 HZ2 LYS 15 HZ2 LYS 15 0.114 -4.310 3.576 136 HZ3 LYS 15 HZ3 LYS 15 -0.716 -2.866 3.618 137 H ALA 16 H ALA 16 -3.381 -3.241 1.527 138 HA ALA 16 HA ALA 16 -1.469 -1.438 0.684 139 HB1 ALA 16 HB1 ALA 16 -3.400 -3.141 -0.954 140 HB2 ALA 16 HB2 ALA 16 -1.896 -2.411 -1.560 141 HB3 ALA 16 HB3 ALA 16 -1.830 -3.676 -0.310 142 H LEU 17 H LEU 17 -5.031 -1.478 0.010 143 HA LEU 17 HA LEU 17 -4.725 0.873 -1.574 144 HB2 LEU 17 HB3 LEU 17 -6.966 -0.870 -0.618 145 HB3 LEU 17 HB2 LEU 17 -7.360 0.781 -1.153 146 HG LEU 17 HG LEU 17 -6.437 0.404 -3.331 147 HD11 LEU 17 HD11 LEU 17 -5.307 -1.694 -3.959 148 HD12 LEU 17 HD12 LEU 17 -4.433 -0.881 -2.641 149 HD13 LEU 17 HD13 LEU 17 -5.460 -2.292 -2.291 150 HD21 LEU 17 HD21 LEU 17 -7.770 -1.573 -4.085 151 HD22 LEU 17 HD22 LEU 17 -7.977 -2.056 -2.386 152 HD23 LEU 17 HD23 LEU 17 -8.684 -0.529 -2.969 153 H ASP 18 H ASP 18 -5.087 0.281 1.865 154 HA ASP 18 HA ASP 18 -6.284 2.736 2.487 155 HB2 ASP 18 HB3 ASP 18 -6.162 1.133 4.224 156 HB3 ASP 18 HB2 ASP 18 -4.425 0.870 3.987 157 H LEU 19 H LEU 19 -2.936 1.826 1.647 158 HA LEU 19 HA LEU 19 -2.037 4.427 2.409 159 HB2 LEU 19 HB3 LEU 19 -0.842 2.056 0.959 160 HB3 LEU 19 HB2 LEU 19 -0.021 3.635 0.964 161 HG LEU 19 HG LEU 19 -0.049 3.687 3.417 162 HD11 LEU 19 HD11 LEU 19 -0.728 1.697 4.697 163 HD12 LEU 19 HD12 LEU 19 -2.101 2.306 3.748 164 HD13 LEU 19 HD13 LEU 19 -1.199 0.873 3.194 165 HD21 LEU 19 HD21 LEU 19 1.856 2.659 2.172 166 HD22 LEU 19 HD22 LEU 19 1.621 1.918 3.772 167 HD23 LEU 19 HD23 LEU 19 1.065 1.072 2.309 168 H ALA 20 H ALA 20 -4.008 3.471 -0.210 169 HA ALA 20 HA ALA 20 -2.640 5.153 -2.094 170 HB1 ALA 20 HB1 ALA 20 -4.540 4.633 -3.558 171 HB2 ALA 20 HB2 ALA 20 -3.916 3.135 -2.828 172 HB3 ALA 20 HB3 ALA 20 -5.408 3.876 -2.204 173 H PHE 21 H PHE 21 -4.409 5.925 0.643 174 HA PHE 21 HA PHE 21 -6.130 7.813 -0.609 175 HB2 PHE 21 HB3 PHE 21 -5.223 7.332 2.255 176 HB3 PHE 21 HB2 PHE 21 -6.286 8.685 1.797 177 HD1 PHE 21 HD2 PHE 21 -6.028 5.073 1.027 178 HD2 PHE 21 HD1 PHE 21 -8.510 8.290 1.975 179 HE1 PHE 21 HE2 PHE 21 -7.941 3.611 0.966 180 HE2 PHE 21 HE1 PHE 21 -10.421 6.825 1.921 181 HZ PHE 21 HZ PHE 21 -10.142 4.491 1.399 182 H TYR 22 H TYR 22 -5.917 10.142 0.010 183 HA TYR 22 HA TYR 22 -4.778 12.081 0.098 184 HB2 TYR 22 HB3 TYR 22 -2.801 11.253 1.308 185 HB3 TYR 22 HB2 TYR 22 -2.203 10.475 -0.185 186 HD1 TYR 22 HD2 TYR 22 -3.441 13.780 0.911 187 HD2 TYR 22 HD1 TYR 22 -0.858 11.619 -1.555 188 HE1 TYR 22 HE2 TYR 22 -2.521 15.843 0.067 189 HE2 TYR 22 HE1 TYR 22 0.063 13.680 -2.399 190 HH TYR 22 HH TYR 22 -0.982 16.932 -1.387 191 H PHE 23 H PHE 23 -4.661 9.632 -2.338 192 HA PHE 23 HA PHE 23 -4.510 9.786 -4.556 193 HB2 PHE 23 HB3 PHE 23 -5.143 12.705 -3.968 194 HB3 PHE 23 HB2 PHE 23 -5.231 11.931 -5.565 195 HD1 PHE 23 HD1 PHE 23 -6.603 9.692 -5.538 196 HD2 PHE 23 HD2 PHE 23 -7.075 12.775 -2.764 197 HE1 PHE 23 HE1 PHE 23 -8.844 8.933 -5.078 198 HE2 PHE 23 HE2 PHE 23 -9.312 12.009 -2.296 199 HZ PHE 23 HZ PHE 23 -10.199 10.095 -3.459 200 H ASP 24 H ASP 24 -1.970 9.605 -3.668 201 HA ASP 24 HA ASP 24 -0.456 11.889 -4.580 202 HB2 ASP 24 HB3 ASP 24 0.567 10.480 -2.905 203 HB3 ASP 24 HB2 ASP 24 0.132 8.997 -3.785 204 H ARG 25 H ARG 25 -1.888 11.734 -6.697 205 HA ARG 25 HA ARG 25 -2.105 11.198 -8.861 206 HB2 ARG 25 HB3 ARG 25 0.403 11.541 -8.837 207 HB3 ARG 25 HB2 ARG 25 0.577 9.792 -8.558 208 HG2 ARG 25 HG3 ARG 25 0.763 10.044 -10.897 209 HG3 ARG 25 HG2 ARG 25 -0.908 9.482 -10.652 210 HD2 ARG 25 HD3 ARG 25 -0.117 12.426 -10.882 211 HD3 ARG 25 HD2 ARG 25 -0.632 11.427 -12.261 212 HE ARG 25 HE ARG 25 -2.705 11.055 -10.887 213 HH11 ARG 25 HH11 ARG 25 -0.689 13.892 -10.740 214 HH12 ARG 25 HH12 ARG 25 -1.929 14.938 -10.307 215 HH21 ARG 25 HH21 ARG 25 -4.416 12.512 -10.274 216 HH22 ARG 25 HH22 ARG 25 -4.082 14.142 -10.038 217 H ARG 26 H ARG 26 -2.499 9.073 -6.409 218 HA ARG 26 HA ARG 26 -2.377 6.674 -8.024 219 HB2 ARG 26 HB3 ARG 26 -3.392 7.108 -5.174 220 HB3 ARG 26 HB2 ARG 26 -2.943 5.560 -5.918 221 HG2 ARG 26 HG3 ARG 26 -1.064 7.885 -5.338 222 HG3 ARG 26 HG2 ARG 26 -1.199 6.414 -4.365 223 HD2 ARG 26 HD3 ARG 26 -0.375 5.051 -6.238 224 HD3 ARG 26 HD2 ARG 26 -0.333 6.495 -7.279 225 HE ARG 26 HE ARG 26 1.271 7.362 -5.492 226 HH11 ARG 26 HH11 ARG 26 0.851 4.064 -6.496 227 HH12 ARG 26 HH12 ARG 26 2.431 3.597 -6.163 228 HH21 ARG 26 HH21 ARG 26 3.455 6.715 -5.012 229 HH22 ARG 26 HH22 ARG 26 3.956 5.136 -5.306 230 H LEU 27 H LEU 27 -4.515 5.265 -7.669 231 HA LEU 27 HA LEU 27 -6.738 5.028 -7.843 232 HB2 LEU 27 HB3 LEU 27 -6.418 6.424 -5.710 233 HB3 LEU 27 HB2 LEU 27 -6.963 7.815 -6.668 234 HG LEU 27 HG LEU 27 -8.768 6.668 -5.346 235 HD11 LEU 27 HD11 LEU 27 -9.257 7.992 -7.413 236 HD12 LEU 27 HD12 LEU 27 -9.164 6.484 -8.357 237 HD13 LEU 27 HD13 LEU 27 -10.426 6.682 -7.121 238 HD21 LEU 27 HD21 LEU 27 -8.285 4.413 -7.337 239 HD22 LEU 27 HD22 LEU 27 -7.911 4.358 -5.598 240 HD23 LEU 27 HD23 LEU 27 -9.600 4.489 -6.140 241 H THR 28 H THR 28 -5.098 6.819 -9.977 242 HA THR 28 HA THR 28 -7.559 7.962 -11.071 243 HB THR 28 HB THR 28 -6.066 9.294 -12.518 244 HG1 THR 28 HG1 THR 28 -4.012 7.939 -11.125 245 HG21 THR 28 HG21 THR 28 -5.047 9.337 -9.654 246 HG22 THR 28 HG22 THR 28 -4.953 10.662 -10.836 247 HG23 THR 28 HG23 THR 28 -6.536 10.134 -10.216 248 HA PRO 29 HA PRO 29 -7.831 4.934 -14.132 249 HB2 PRO 29 HB3 PRO 29 -6.882 6.873 -16.248 250 HB3 PRO 29 HB2 PRO 29 -8.269 5.736 -16.305 251 HG2 PRO 29 HG3 PRO 29 -8.716 8.341 -15.767 252 HG3 PRO 29 HG2 PRO 29 -9.540 7.081 -14.790 253 HD2 PRO 29 HD3 PRO 29 -7.100 8.722 -14.078 254 HD3 PRO 29 HD2 PRO 29 -8.489 8.249 -13.041 255 H GLU 30 H GLU 30 -4.802 6.799 -14.565 256 HA GLU 30 HA GLU 30 -3.762 4.397 -15.791 257 HB2 GLU 30 HB3 GLU 30 -2.491 7.115 -15.271 258 HB3 GLU 30 HB2 GLU 30 -1.739 5.780 -16.177 259 HG2 GLU 30 HG3 GLU 30 -4.358 7.176 -16.897 260 HG3 GLU 30 HG2 GLU 30 -2.793 7.416 -17.708 261 H TRP 31 H TRP 31 -4.102 5.574 -12.612 262 HA TRP 31 HA TRP 31 -1.777 3.959 -11.926 263 HB2 TRP 31 HB3 TRP 31 -3.023 6.326 -10.545 264 HB3 TRP 31 HB2 TRP 31 -2.263 5.037 -9.580 265 HD1 TRP 31 HD1 TRP 31 0.295 4.972 -9.479 266 HE1 TRP 31 HE1 TRP 31 2.188 6.174 -10.591 267 HE3 TRP 31 HE3 TRP 31 -2.368 7.503 -12.833 268 HZ2 TRP 31 HZ2 TRP 31 2.473 7.960 -12.667 269 HZ3 TRP 31 HZ3 TRP 31 -1.216 8.967 -14.384 270 HH2 TRP 31 HH2 TRP 31 1.175 9.186 -14.307 271 H ARG 32 H ARG 32 -5.051 3.831 -12.345 272 HA ARG 32 HA ARG 32 -5.600 2.150 -10.073 273 HB2 ARG 32 HB3 ARG 32 -7.259 3.658 -11.260 274 HB3 ARG 32 HB2 ARG 32 -7.137 2.591 -12.675 275 HG2 ARG 32 HG3 ARG 32 -8.015 0.714 -11.368 276 HG3 ARG 32 HG2 ARG 32 -7.955 1.690 -9.874 277 HD2 ARG 32 HD3 ARG 32 -9.647 2.274 -12.354 278 HD3 ARG 32 HD2 ARG 32 -10.236 1.779 -10.746 279 HE ARG 32 HE ARG 32 -9.098 3.892 -9.977 280 HH11 ARG 32 HH11 ARG 32 -10.421 3.408 -13.159 281 HH12 ARG 32 HH12 ARG 32 -10.654 5.041 -13.478 282 HH21 ARG 32 HH21 ARG 32 -9.370 6.160 -10.444 283 HH22 ARG 32 HH22 ARG 32 -10.081 6.626 -11.893 284 H ARG 33 H ARG 33 -4.971 1.919 -13.600 285 HA ARG 33 HA ARG 33 -4.997 -0.900 -13.563 286 HB2 ARG 33 HB3 ARG 33 -3.955 -0.698 -15.782 287 HB3 ARG 33 HB2 ARG 33 -5.321 0.430 -15.625 288 HG2 ARG 33 HG3 ARG 33 -3.723 2.256 -15.056 289 HG3 ARG 33 HG2 ARG 33 -2.369 1.122 -15.283 290 HD2 ARG 33 HD3 ARG 33 -2.735 2.456 -17.333 291 HD3 ARG 33 HD2 ARG 33 -3.096 0.738 -17.628 292 HE ARG 33 HE ARG 33 -5.393 2.180 -16.817 293 HH11 ARG 33 HH11 ARG 33 -3.203 1.538 -19.442 294 HH12 ARG 33 HH12 ARG 33 -4.324 1.836 -20.657 295 HH21 ARG 33 HH21 ARG 33 -6.949 2.582 -18.498 296 HH22 ARG 33 HH22 ARG 33 -6.496 2.441 -20.110 297 H TYR 34 H TYR 34 -2.701 1.513 -12.561 298 HA TYR 34 HA TYR 34 -0.363 -0.047 -12.776 299 HB2 TYR 34 HB3 TYR 34 -0.276 2.383 -12.450 300 HB3 TYR 34 HB2 TYR 34 -1.247 2.232 -10.973 301 HD1 TYR 34 HD2 TYR 34 1.978 1.019 -12.333 302 HD2 TYR 34 HD1 TYR 34 -0.261 2.156 -8.999 303 HE1 TYR 34 HE2 TYR 34 3.945 0.869 -10.951 304 HE2 TYR 34 HE1 TYR 34 1.702 1.984 -7.614 305 HH TYR 34 HH TYR 34 4.031 1.589 -7.456 306 H LEU 35 H LEU 35 -2.597 0.663 -10.014 307 HA LEU 35 HA LEU 35 -1.246 -1.049 -8.266 308 HB2 LEU 35 HB3 LEU 35 -4.135 -0.084 -8.402 309 HB3 LEU 35 HB2 LEU 35 -3.449 -0.981 -7.026 310 HG LEU 35 HG LEU 35 -2.326 1.638 -8.109 311 HD11 LEU 35 HD11 LEU 35 -3.288 2.644 -6.062 312 HD12 LEU 35 HD12 LEU 35 -4.562 1.941 -7.087 313 HD13 LEU 35 HD13 LEU 35 -4.013 1.076 -5.631 314 HD21 LEU 35 HD21 LEU 35 -1.727 0.004 -5.605 315 HD22 LEU 35 HD22 LEU 35 -0.662 0.178 -7.021 316 HD23 LEU 35 HD23 LEU 35 -1.020 1.589 -5.998 317 H SER 36 H SER 36 -4.148 -1.594 -10.356 318 HA SER 36 HA SER 36 -4.417 -4.221 -9.396 319 HB2 SER 36 HB3 SER 36 -6.012 -4.463 -11.268 320 HB3 SER 36 HB2 SER 36 -6.294 -2.956 -10.362 321 HG SER 36 HG SER 36 -5.139 -1.851 -11.901 322 H GLN 37 H GLN 37 -1.971 -2.993 -11.449 323 HA GLN 37 HA GLN 37 -1.888 -5.098 -13.305 324 HB2 GLN 37 HB3 GLN 37 -0.638 -2.955 -13.541 325 HB3 GLN 37 HB2 GLN 37 0.359 -3.400 -12.136 326 HG2 GLN 37 HG3 GLN 37 1.126 -5.433 -13.330 327 HG3 GLN 37 HG2 GLN 37 0.131 -4.983 -14.735 328 HE21 GLN 37 HE21 GLN 37 1.177 -2.099 -13.402 329 HE22 GLN 37 HE22 GLN 37 2.564 -1.896 -14.327 330 H ARG 38 H ARG 38 -0.231 -4.608 -10.106 331 HA ARG 38 HA ARG 38 0.348 -7.475 -10.329 332 HB2 ARG 38 HB3 ARG 38 1.940 -5.280 -8.931 333 HB3 ARG 38 HB2 ARG 38 2.342 -7.015 -8.942 334 HG2 ARG 38 HG3 ARG 38 2.392 -6.906 -11.471 335 HG3 ARG 38 HG2 ARG 38 2.215 -5.140 -11.341 336 HD2 ARG 38 HD3 ARG 38 4.482 -6.832 -10.183 337 HD3 ARG 38 HD2 ARG 38 4.583 -5.715 -11.565 338 HE ARG 38 HE ARG 38 3.896 -3.984 -9.860 339 HH11 ARG 38 HH11 ARG 38 5.717 -6.876 -9.241 340 HH12 ARG 38 HH12 ARG 38 6.521 -6.276 -7.893 341 HH21 ARG 38 HH21 ARG 38 4.970 -3.166 -7.944 342 HH22 ARG 38 HH22 ARG 38 6.088 -4.129 -7.141 343 H LEU 39 H LEU 39 -1.682 -5.361 -8.727 344 HA LEU 39 HA LEU 39 -1.281 -6.282 -6.078 345 HB2 LEU 39 HB3 LEU 39 -2.511 -4.201 -6.611 346 HB3 LEU 39 HB2 LEU 39 -3.741 -5.147 -7.483 347 HG LEU 39 HG LEU 39 -4.275 -6.356 -5.371 348 HD11 LEU 39 HD11 LEU 39 -2.268 -4.399 -4.169 349 HD12 LEU 39 HD12 LEU 39 -3.312 -5.497 -3.244 350 HD13 LEU 39 HD13 LEU 39 -2.044 -6.159 -4.304 351 HD21 LEU 39 HD21 LEU 39 -5.276 -4.381 -4.190 352 HD22 LEU 39 HD22 LEU 39 -4.281 -3.308 -5.204 353 HD23 LEU 39 HD23 LEU 39 -5.535 -4.327 -5.951 354 H GLY 40 H GLY 40 -3.670 -7.114 -8.658 355 HA2 GLY 40 HA3 GLY 40 -4.009 -9.514 -8.961 356 HA3 GLY 40 HA2 GLY 40 -4.004 -9.627 -7.184 357 H LEU 41 H LEU 41 -5.475 -6.717 -7.848 358 HA LEU 41 HA LEU 41 -8.059 -8.084 -7.822 359 HB2 LEU 41 HB3 LEU 41 -7.367 -5.258 -6.910 360 HB3 LEU 41 HB2 LEU 41 -8.951 -6.054 -6.781 361 HG LEU 41 HG LEU 41 -6.393 -6.971 -5.405 362 HD11 LEU 41 HD11 LEU 41 -8.940 -5.687 -4.320 363 HD12 LEU 41 HD12 LEU 41 -7.532 -6.197 -3.360 364 HD13 LEU 41 HD13 LEU 41 -7.383 -4.853 -4.516 365 HD21 LEU 41 HD21 LEU 41 -7.950 -8.827 -5.995 366 HD22 LEU 41 HD22 LEU 41 -7.884 -8.555 -4.237 367 HD23 LEU 41 HD23 LEU 41 -9.271 -7.957 -5.178 368 H ASN 42 H ASN 42 -9.805 -6.388 -8.802 369 HA ASN 42 HA ASN 42 -8.635 -5.741 -11.389 370 HB2 ASN 42 HB3 ASN 42 -11.511 -6.082 -10.441 371 HB3 ASN 42 HB2 ASN 42 -11.075 -5.544 -12.081 372 HD21 ASN 42 HD21 ASN 42 -12.515 -7.919 -11.860 373 HD22 ASN 42 HD22 ASN 42 -11.489 -9.205 -12.207 374 H GLU 43 H GLU 43 -9.477 -3.633 -12.366 375 HA GLU 43 HA GLU 43 -8.770 -1.529 -10.718 376 HB2 GLU 43 HB3 GLU 43 -10.448 -1.679 -13.258 377 HB3 GLU 43 HB2 GLU 43 -9.882 -0.157 -12.533 378 HG2 GLU 43 HG3 GLU 43 -7.538 -0.921 -12.726 379 HG3 GLU 43 HG2 GLU 43 -8.091 -2.451 -13.448 380 H GLU 44 H GLU 44 -11.974 -2.927 -11.460 381 HA GLU 44 HA GLU 44 -13.494 -0.935 -10.257 382 HB2 GLU 44 HB3 GLU 44 -14.376 -2.776 -11.681 383 HB3 GLU 44 HB2 GLU 44 -13.949 -3.949 -10.412 384 HG2 GLU 44 HG3 GLU 44 -15.459 -2.783 -8.828 385 HG3 GLU 44 HG2 GLU 44 -15.878 -1.605 -10.094 386 H GLN 45 H GLN 45 -11.752 -3.763 -8.883 387 HA GLN 45 HA GLN 45 -13.034 -3.433 -6.372 388 HB2 GLN 45 HB3 GLN 45 -10.499 -4.899 -7.217 389 HB3 GLN 45 HB2 GLN 45 -11.333 -5.110 -5.658 390 HG2 GLN 45 HG3 GLN 45 -12.639 -5.566 -8.376 391 HG3 GLN 45 HG2 GLN 45 -11.918 -6.864 -7.396 392 HE21 GLN 45 HE21 GLN 45 -12.730 -6.714 -4.947 393 HE22 GLN 45 HE22 GLN 45 -14.394 -6.544 -4.801 394 H ILE 46 H ILE 46 -10.528 -1.668 -7.961 395 HA ILE 46 HA ILE 46 -9.117 -1.082 -5.526 396 HB ILE 46 HB ILE 46 -9.160 0.367 -8.217 397 HG12 ILE 46 HG13 ILE 46 -8.390 -1.967 -8.470 398 HG13 ILE 46 HG12 ILE 46 -7.046 -0.824 -8.680 399 HG21 ILE 46 HG21 ILE 46 -7.021 1.323 -7.431 400 HG22 ILE 46 HG22 ILE 46 -8.344 1.720 -6.307 401 HG23 ILE 46 HG23 ILE 46 -7.182 0.435 -5.897 402 HD11 ILE 46 HD11 ILE 46 -6.362 -2.723 -7.261 403 HD12 ILE 46 HD12 ILE 46 -6.360 -1.210 -6.324 404 HD13 ILE 46 HD13 ILE 46 -7.694 -2.373 -6.134 405 H GLU 47 H GLU 47 -11.426 0.487 -7.765 406 HA GLU 47 HA GLU 47 -11.734 2.832 -6.283 407 HB2 GLU 47 HB3 GLU 47 -13.599 1.308 -8.158 408 HB3 GLU 47 HB2 GLU 47 -13.905 2.955 -7.557 409 HG2 GLU 47 HG3 GLU 47 -11.796 3.735 -8.577 410 HG3 GLU 47 HG2 GLU 47 -11.467 2.088 -9.166 411 H ARG 48 H ARG 48 -13.474 -0.313 -6.182 412 HA ARG 48 HA ARG 48 -15.508 0.570 -4.525 413 HB2 ARG 48 HB3 ARG 48 -14.424 -2.013 -5.456 414 HB3 ARG 48 HB2 ARG 48 -15.213 -2.072 -3.861 415 HG2 ARG 48 HG3 ARG 48 -16.847 -2.448 -5.695 416 HG3 ARG 48 HG2 ARG 48 -17.214 -0.978 -4.765 417 HD2 ARG 48 HD3 ARG 48 -16.121 0.404 -6.501 418 HD3 ARG 48 HD2 ARG 48 -15.737 -1.064 -7.430 419 HE ARG 48 HE ARG 48 -18.454 -1.068 -6.938 420 HH11 ARG 48 HH11 ARG 48 -16.025 0.804 -8.584 421 HH12 ARG 48 HH12 ARG 48 -17.043 1.333 -9.811 422 HH21 ARG 48 HH21 ARG 48 -19.859 -0.341 -8.633 423 HH22 ARG 48 HH22 ARG 48 -19.269 0.669 -9.840 424 H TRP 49 H TRP 49 -12.564 -1.327 -3.429 425 HA TRP 49 HA TRP 49 -13.354 -1.084 -0.781 426 HB2 TRP 49 HB3 TRP 49 -11.584 -2.627 -1.528 427 HB3 TRP 49 HB2 TRP 49 -10.546 -1.241 -1.945 428 HD1 TRP 49 HD1 TRP 49 -8.925 -0.646 -0.024 429 HE1 TRP 49 HE1 TRP 49 -8.904 -0.825 2.472 430 HE3 TRP 49 HE3 TRP 49 -13.456 -2.593 0.544 431 HZ2 TRP 49 HZ2 TRP 49 -10.648 -1.718 4.422 432 HZ3 TRP 49 HZ3 TRP 49 -14.256 -3.086 2.781 433 HH2 TRP 49 HH2 TRP 49 -12.866 -2.657 4.694 434 H PHE 50 H PHE 50 -11.309 1.066 -2.776 435 HA PHE 50 HA PHE 50 -10.437 2.728 -0.760 436 HB2 PHE 50 HB3 PHE 50 -9.656 2.672 -3.119 437 HB3 PHE 50 HB2 PHE 50 -11.193 3.391 -3.647 438 HD1 PHE 50 HD1 PHE 50 -11.749 5.679 -2.770 439 HD2 PHE 50 HD2 PHE 50 -7.966 3.978 -2.307 440 HE1 PHE 50 HE1 PHE 50 -10.816 7.862 -2.360 441 HE2 PHE 50 HE2 PHE 50 -7.033 6.162 -1.915 442 HZ PHE 50 HZ PHE 50 -8.457 8.104 -1.930 443 H ARG 51 H ARG 51 -13.413 3.054 -2.810 444 HA ARG 51 HA ARG 51 -14.047 5.417 -1.368 445 HB2 ARG 51 HB3 ARG 51 -15.994 5.579 -2.780 446 HB3 ARG 51 HB2 ARG 51 -14.592 5.125 -3.771 447 HG2 ARG 51 HG3 ARG 51 -16.146 3.621 -4.579 448 HG3 ARG 51 HG2 ARG 51 -15.466 2.654 -3.251 449 HD2 ARG 51 HD3 ARG 51 -17.308 3.488 -1.768 450 HD3 ARG 51 HD2 ARG 51 -17.995 4.368 -3.149 451 HE ARG 51 HE ARG 51 -17.624 1.466 -3.213 452 HH11 ARG 51 HH11 ARG 51 -19.515 4.376 -3.484 453 HH12 ARG 51 HH12 ARG 51 -20.893 3.610 -4.063 454 HH21 ARG 51 HH21 ARG 51 -19.529 0.411 -4.016 455 HH22 ARG 51 HH22 ARG 51 -20.901 1.312 -4.372 456 H ARG 52 H ARG 52 -14.869 2.007 -1.019 457 HA ARG 52 HA ARG 52 -17.286 2.335 0.299 458 HB2 ARG 52 HB3 ARG 52 -15.117 0.237 0.353 459 HB3 ARG 52 HB2 ARG 52 -16.510 0.134 1.454 460 HG2 ARG 52 HG3 ARG 52 -16.815 0.491 -1.553 461 HG3 ARG 52 HG2 ARG 52 -16.802 -1.099 -0.754 462 HD2 ARG 52 HD3 ARG 52 -18.700 1.184 -0.077 463 HD3 ARG 52 HD2 ARG 52 -19.125 -0.221 -1.083 464 HE ARG 52 HE ARG 52 -18.203 -0.531 1.678 465 HH11 ARG 52 HH11 ARG 52 -20.467 -1.023 -0.922 466 HH12 ARG 52 HH12 ARG 52 -21.435 -2.104 -0.077 467 HH21 ARG 52 HH21 ARG 52 -19.538 -2.028 2.837 468 HH22 ARG 52 HH22 ARG 52 -20.897 -2.687 2.102 469 H LYS 53 H LYS 53 -13.907 2.373 1.618 470 HA LYS 53 HA LYS 53 -14.829 2.441 4.251 471 HB2 LYS 53 HB3 LYS 53 -12.286 3.575 3.007 472 HB3 LYS 53 HB2 LYS 53 -12.603 3.472 4.754 473 HG2 LYS 53 HG3 LYS 53 -12.990 0.977 4.433 474 HG3 LYS 53 HG2 LYS 53 -12.333 1.165 2.787 475 HD2 LYS 53 HD3 LYS 53 -10.917 2.026 5.354 476 HD3 LYS 53 HD2 LYS 53 -10.576 0.517 4.479 477 HE2 LYS 53 HE3 LYS 53 -9.968 1.827 2.462 478 HE3 LYS 53 HE2 LYS 53 -10.310 3.335 3.348 479 HZ1 LYS 53 HZ1 LYS 53 -7.995 2.802 3.392 480 HZ2 LYS 53 HZ2 LYS 53 -8.635 2.715 4.930 481 HZ3 LYS 53 HZ3 LYS 53 -8.304 1.315 4.084 482 H GLU 54 H GLU 54 -15.017 4.946 1.792 483 HA GLU 54 HA GLU 54 -15.073 6.891 3.955 484 HB2 GLU 54 HB3 GLU 54 -15.222 7.382 0.953 485 HB3 GLU 54 HB2 GLU 54 -14.892 8.568 2.241 486 HG2 GLU 54 HG3 GLU 54 -12.924 6.929 2.847 487 HG3 GLU 54 HG2 GLU 54 -13.136 6.344 1.185 488 H GLN 55 H GLN 55 -17.144 5.479 1.366 489 HA GLN 55 HA GLN 55 -19.216 7.291 2.045 490 HB2 GLN 55 HB3 GLN 55 -20.573 5.989 0.498 491 HB3 GLN 55 HB2 GLN 55 -18.968 6.284 -0.204 492 HG2 GLN 55 HG3 GLN 55 -19.415 3.999 -0.650 493 HG3 GLN 55 HG2 GLN 55 -18.308 3.980 0.744 494 HE21 GLN 55 HE21 GLN 55 -21.884 4.377 0.262 495 HE22 GLN 55 HE22 GLN 55 -22.282 3.255 1.448 496 H GLN 56 H GLN 56 -17.969 4.709 3.824 497 HA GLN 56 HA GLN 56 -20.477 3.595 4.576 498 HB2 GLN 56 HB3 GLN 56 -18.329 2.350 4.709 499 HB3 GLN 56 HB2 GLN 56 -17.729 3.533 5.896 500 HG2 GLN 56 HG3 GLN 56 -18.566 1.619 7.127 501 HG3 GLN 56 HG2 GLN 56 -19.717 2.957 7.356 502 HE21 GLN 56 HE21 GLN 56 -19.613 -0.309 6.755 503 HE22 GLN 56 HE22 GLN 56 -21.045 -0.453 5.889 504 H ILE 57 H ILE 57 -18.145 5.861 6.277 505 HA ILE 57 HA ILE 57 -20.394 6.187 8.087 506 HB ILE 57 HB ILE 57 -18.918 6.690 9.820 507 HG12 ILE 57 HG13 ILE 57 -16.418 7.148 9.239 508 HG13 ILE 57 HG12 ILE 57 -17.027 7.529 7.609 509 HG21 ILE 57 HG21 ILE 57 -18.687 4.345 9.064 510 HG22 ILE 57 HG22 ILE 57 -17.384 4.829 7.952 511 HG23 ILE 57 HG23 ILE 57 -17.148 4.960 9.712 512 HD11 ILE 57 HD11 ILE 57 -18.635 9.156 8.656 513 HD12 ILE 57 HD12 ILE 57 -17.949 8.772 10.249 514 HD13 ILE 57 HD13 ILE 57 -16.949 9.573 9.017 515 H GLY 58 H GLY 58 -18.803 7.946 5.547 516 HA2 GLY 58 HA3 GLY 58 -20.092 10.000 5.119 517 HA3 GLY 58 HA2 GLY 58 -19.886 10.359 6.845 518 H TRP 59 H TRP 59 -17.555 9.065 4.508 519 HA TRP 59 HA TRP 59 -15.651 9.784 3.683 520 HB2 TRP 59 HB3 TRP 59 -17.085 11.637 2.855 521 HB3 TRP 59 HB2 TRP 59 -16.743 12.537 4.352 522 HD1 TRP 59 HD1 TRP 59 -14.782 11.027 1.375 523 HE1 TRP 59 HE1 TRP 59 -12.739 12.420 0.984 524 HE3 TRP 59 HE3 TRP 59 -15.333 14.143 5.213 525 HZ2 TRP 59 HZ2 TRP 59 -11.541 14.589 2.191 526 HZ3 TRP 59 HZ3 TRP 59 -13.689 15.896 5.547 527 HH2 TRP 59 HH2 TRP 59 -11.817 16.113 4.056 528 H SER 60 H SER 60 -15.254 8.894 6.278 529 HA SER 60 HA SER 60 -13.174 10.819 6.999 530 HB2 SER 60 HB3 SER 60 -14.916 9.265 8.953 531 HB3 SER 60 HB2 SER 60 -13.563 10.338 9.373 532 HG SER 60 HG SER 60 -15.928 11.040 7.977 533 H HIS 61 H HIS 61 -13.781 7.906 5.736 534 HA HIS 61 HA HIS 61 -13.058 5.784 6.088 535 HB2 HIS 61 HB3 HIS 61 -10.654 5.758 5.304 536 HB3 HIS 61 HB2 HIS 61 -11.832 6.603 4.289 537 HD1 HIS 61 HD1 HIS 61 -11.324 9.020 3.802 538 HD2 HIS 61 HD2 HIS 61 -9.135 7.510 6.926 539 HE1 HIS 61 HE1 HIS 61 -9.657 10.766 4.470 540 HE2 HIS 61 HE2 HIS 61 -8.333 9.827 6.375 541 HA PRO 62 HA PRO 62 -11.004 5.660 10.113 542 HB2 PRO 62 HB3 PRO 62 -13.022 4.903 11.739 543 HB3 PRO 62 HB2 PRO 62 -12.916 6.619 11.218 544 HG2 PRO 62 HG3 PRO 62 -14.608 4.394 10.024 545 HG3 PRO 62 HG2 PRO 62 -15.130 6.041 10.499 546 HD2 PRO 62 HD3 PRO 62 -14.402 5.341 7.905 547 HD3 PRO 62 HD2 PRO 62 -14.197 6.990 8.579 548 H GLN 63 H GLN 63 -12.376 3.768 7.833 549 HA GLN 63 HA GLN 63 -12.536 1.357 9.395 550 HB2 GLN 63 HB3 GLN 63 -12.889 1.987 6.435 551 HB3 GLN 63 HB2 GLN 63 -13.238 0.418 7.195 552 HG2 GLN 63 HG3 GLN 63 -14.563 3.063 7.940 553 HG3 GLN 63 HG2 GLN 63 -15.285 1.820 6.895 554 HE21 GLN 63 HE21 GLN 63 -15.030 -0.538 8.064 555 HE22 GLN 63 HE22 GLN 63 -15.591 -0.514 9.648 556 H PHE 64 H PHE 64 -9.859 2.946 8.477 557 HA PHE 64 HA PHE 64 -8.478 1.601 6.659 558 HB2 PHE 64 HB3 PHE 64 -6.477 2.185 7.978 559 HB3 PHE 64 HB2 PHE 64 -7.631 3.527 7.842 560 HD1 PHE 64 HD1 PHE 64 -9.214 3.856 9.762 561 HD2 PHE 64 HD2 PHE 64 -5.780 1.520 10.074 562 HE1 PHE 64 HE1 PHE 64 -9.294 4.064 12.161 563 HE2 PHE 64 HE2 PHE 64 -5.855 1.721 12.473 564 HZ PHE 64 HZ PHE 64 -7.619 2.988 13.520 565 H GLU 65 H GLU 65 -8.740 0.285 10.086 566 HA GLU 65 HA GLU 65 -7.891 -2.156 8.713 567 HB2 GLU 65 HB3 GLU 65 -7.387 -1.375 11.611 568 HB3 GLU 65 HB2 GLU 65 -7.126 -3.001 10.943 569 HG2 GLU 65 HG3 GLU 65 -5.511 -2.077 9.306 570 HG3 GLU 65 HG2 GLU 65 -5.753 -0.456 9.990 571 H LYS 66 H LYS 66 -10.613 -1.293 8.779 572 HA LYS 66 HA LYS 66 -11.626 -3.285 10.672 573 HB2 LYS 66 HB3 LYS 66 -12.839 -0.611 9.842 574 HB3 LYS 66 HB2 LYS 66 -13.643 -1.828 10.862 575 HG2 LYS 66 HG3 LYS 66 -11.795 -1.668 12.510 576 HG3 LYS 66 HG2 LYS 66 -11.003 -0.437 11.499 577 HD2 LYS 66 HD3 LYS 66 -12.987 1.036 11.745 578 HD3 LYS 66 HD2 LYS 66 -13.763 -0.191 12.776 579 HE2 LYS 66 HE3 LYS 66 -11.870 -0.032 14.377 580 HE3 LYS 66 HE2 LYS 66 -11.109 1.207 13.351 581 HZ1 LYS 66 HZ1 LYS 66 -12.358 2.167 15.143 582 HZ2 LYS 66 HZ2 LYS 66 -13.032 2.576 13.673 583 HZ3 LYS 66 HZ3 LYS 66 -13.754 1.412 14.626 584 H1 MET 1 H1 MET 1 5.838 -15.844 -5.585 585 H2 MET 1 H2 MET 1 6.541 -16.939 -4.540 586 H3 MET 1 H3 MET 1 6.604 -15.305 -4.203 587 HA MET 1 HA MET 1 4.161 -16.951 -4.291 588 HB2 MET 1 HB3 MET 1 5.747 -15.717 -1.987 589 HB3 MET 1 HB2 MET 1 4.128 -16.443 -1.837 590 HG2 MET 1 HG3 MET 1 5.760 -18.117 -1.203 591 HG3 MET 1 HG2 MET 1 5.065 -18.587 -2.773 592 HE1 MET 1 HE1 MET 1 6.851 -20.186 -3.047 593 HE2 MET 1 HE2 MET 1 8.597 -19.875 -2.898 594 HE3 MET 1 HE3 MET 1 7.538 -19.696 -1.480 595 H GLU 2 H GLU 2 4.180 -14.489 -2.004 596 HA GLU 2 HA GLU 2 3.649 -12.257 -3.610 597 HB2 GLU 2 HB3 GLU 2 1.610 -13.756 -4.116 598 HB3 GLU 2 HB2 GLU 2 1.198 -13.610 -2.392 599 HG2 GLU 2 HG3 GLU 2 -0.030 -11.901 -3.597 600 HG3 GLU 2 HG2 GLU 2 1.269 -11.082 -2.696 601 H LYS 3 H LYS 3 2.225 -13.843 -0.692 602 HA LYS 3 HA LYS 3 2.801 -11.543 0.885 603 HB2 LYS 3 HB3 LYS 3 2.082 -12.964 2.745 604 HB3 LYS 3 HB2 LYS 3 0.966 -13.159 1.376 605 HG2 LYS 3 HG3 LYS 3 1.346 -15.370 2.082 606 HG3 LYS 3 HG2 LYS 3 2.467 -15.186 0.714 607 HD2 LYS 3 HD3 LYS 3 3.605 -16.256 2.625 608 HD3 LYS 3 HD2 LYS 3 4.292 -14.639 2.350 609 HE2 LYS 3 HE3 LYS 3 2.837 -13.714 4.130 610 HE3 LYS 3 HE2 LYS 3 2.133 -15.326 4.393 611 HZ1 LYS 3 HZ1 LYS 3 3.861 -14.876 5.955 612 HZ2 LYS 3 HZ2 LYS 3 4.326 -16.118 4.941 613 HZ3 LYS 3 HZ3 LYS 3 4.958 -14.586 4.730 614 H ARG 4 H ARG 4 4.798 -11.163 1.926 615 HA ARG 4 HA ARG 4 7.002 -12.548 0.960 616 HB2 ARG 4 HB3 ARG 4 7.162 -10.261 1.811 617 HB3 ARG 4 HB2 ARG 4 6.613 -10.794 3.419 618 HG2 ARG 4 HG3 ARG 4 9.029 -10.606 3.481 619 HG3 ARG 4 HG2 ARG 4 8.596 -12.328 3.519 620 HD2 ARG 4 HD3 ARG 4 8.841 -12.212 0.923 621 HD3 ARG 4 HD2 ARG 4 9.748 -10.716 1.226 622 HE ARG 4 HE ARG 4 10.730 -12.677 2.919 623 HH11 ARG 4 HH11 ARG 4 10.462 -11.971 -0.483 624 HH12 ARG 4 HH12 ARG 4 11.856 -12.800 -0.916 625 HH21 ARG 4 HH21 ARG 4 12.644 -13.823 2.312 626 HH22 ARG 4 HH22 ARG 4 13.121 -13.872 0.702 627 HA PRO 5 HA PRO 5 6.699 -16.150 3.550 628 HB2 PRO 5 HB3 PRO 5 9.622 -16.150 2.766 629 HB3 PRO 5 HB2 PRO 5 8.489 -17.539 2.868 630 HG2 PRO 5 HG3 PRO 5 9.016 -16.455 0.462 631 HG3 PRO 5 HG2 PRO 5 7.310 -16.804 0.902 632 HD2 PRO 5 HD3 PRO 5 8.781 -14.161 1.002 633 HD3 PRO 5 HD2 PRO 5 7.122 -14.503 0.411 634 H ARG 6 H ARG 6 9.702 -14.079 3.957 635 HA ARG 6 HA ARG 6 8.967 -14.497 6.781 636 HB2 ARG 6 HB3 ARG 6 11.721 -14.377 5.483 637 HB3 ARG 6 HB2 ARG 6 11.450 -14.095 7.212 638 HG2 ARG 6 HG3 ARG 6 12.013 -16.343 7.168 639 HG3 ARG 6 HG2 ARG 6 10.236 -16.403 7.192 640 HD2 ARG 6 HD3 ARG 6 10.198 -16.769 4.770 641 HD3 ARG 6 HD2 ARG 6 11.958 -16.548 4.667 642 HE ARG 6 HE ARG 6 10.856 -18.686 6.314 643 HH11 ARG 6 HH11 ARG 6 12.620 -17.508 3.554 644 HH12 ARG 6 HH12 ARG 6 13.289 -18.996 3.153 645 HH21 ARG 6 HH21 ARG 6 11.792 -20.739 5.763 646 HH22 ARG 6 HH22 ARG 6 12.810 -20.867 4.433 647 H THR 7 H THR 7 11.603 -12.354 5.529 648 HA THR 7 HA THR 7 9.795 -10.169 6.150 649 HB THR 7 HB THR 7 11.547 -9.113 7.581 650 HG1 THR 7 HG1 THR 7 13.250 -10.319 6.726 651 HG21 THR 7 HG21 THR 7 11.130 -10.443 9.578 652 HG22 THR 7 HG22 THR 7 9.655 -10.401 8.585 653 HG23 THR 7 HG23 THR 7 10.685 -11.853 8.594 654 H GLU 8 H GLU 8 10.921 -10.687 3.443 655 HA GLU 8 HA GLU 8 12.664 -8.334 3.486 656 HB2 GLU 8 HB3 GLU 8 12.912 -10.819 1.757 657 HB3 GLU 8 HB2 GLU 8 13.823 -9.318 1.493 658 HG2 GLU 8 HG3 GLU 8 13.872 -10.896 4.096 659 HG3 GLU 8 HG2 GLU 8 15.083 -11.070 2.807 660 H PHE 9 H PHE 9 10.152 -7.632 3.114 661 HA PHE 9 HA PHE 9 8.543 -7.083 1.584 662 HB2 PHE 9 HB3 PHE 9 9.449 -5.069 0.402 663 HB3 PHE 9 HB2 PHE 9 9.802 -5.147 2.141 664 HD1 PHE 9 HD2 PHE 9 11.291 -5.824 -1.156 665 HD2 PHE 9 HD1 PHE 9 11.956 -5.141 2.906 666 HE1 PHE 9 HE2 PHE 9 13.661 -5.699 -1.566 667 HE2 PHE 9 HE1 PHE 9 14.325 -4.986 2.492 668 HZ PHE 9 HZ PHE 9 15.178 -5.270 0.256 669 H SER 10 H SER 10 7.965 -8.871 0.163 670 HA SER 10 HA SER 10 9.581 -9.041 -2.229 671 HB2 SER 10 HB3 SER 10 6.984 -10.430 -1.427 672 HB3 SER 10 HB2 SER 10 7.847 -10.699 -2.956 673 HG SER 10 HG SER 10 8.320 -12.227 -1.384 674 H GLU 11 H GLU 11 8.140 -9.047 -4.321 675 HA GLU 11 HA GLU 11 7.535 -6.627 -5.110 676 HB2 GLU 11 HB3 GLU 11 6.162 -9.255 -5.742 677 HB3 GLU 11 HB2 GLU 11 5.866 -7.760 -6.658 678 HG2 GLU 11 HG3 GLU 11 7.621 -9.073 -7.760 679 HG3 GLU 11 HG2 GLU 11 8.312 -7.567 -7.113 680 H GLU 12 H GLU 12 4.970 -8.669 -3.510 681 HA GLU 12 HA GLU 12 3.046 -6.657 -3.908 682 HB2 GLU 12 HB3 GLU 12 2.468 -8.992 -3.458 683 HB3 GLU 12 HB2 GLU 12 3.241 -8.901 -1.863 684 HG2 GLU 12 HG3 GLU 12 0.791 -8.640 -1.686 685 HG3 GLU 12 HG2 GLU 12 1.619 -7.150 -1.178 686 H GLN 13 H GLN 13 5.377 -7.289 -1.228 687 HA GLN 13 HA GLN 13 4.114 -5.238 0.319 688 HB2 GLN 13 HB3 GLN 13 6.802 -6.655 0.590 689 HB3 GLN 13 HB2 GLN 13 6.136 -5.501 1.764 690 HG2 GLN 13 HG3 GLN 13 5.628 -7.687 2.590 691 HG3 GLN 13 HG2 GLN 13 4.100 -7.030 1.959 692 HE21 GLN 13 HE21 GLN 13 2.999 -8.729 0.974 693 HE22 GLN 13 HE22 GLN 13 3.731 -9.845 -0.050 694 H LYS 14 H LYS 14 6.561 -5.406 -2.197 695 HA LYS 14 HA LYS 14 7.877 -3.000 -1.522 696 HB2 LYS 14 HB3 LYS 14 7.428 -4.470 -4.161 697 HB3 LYS 14 HB2 LYS 14 8.442 -3.024 -3.995 698 HG2 LYS 14 HG3 LYS 14 9.912 -4.197 -2.409 699 HG3 LYS 14 HG2 LYS 14 8.881 -5.641 -2.497 700 HD2 LYS 14 HD3 LYS 14 9.324 -5.805 -4.936 701 HD3 LYS 14 HD2 LYS 14 10.364 -4.370 -4.844 702 HE2 LYS 14 HE3 LYS 14 11.917 -5.533 -3.364 703 HE3 LYS 14 HE2 LYS 14 10.836 -6.945 -3.281 704 HZ1 LYS 14 HZ1 LYS 14 11.145 -7.331 -5.556 705 HZ2 LYS 14 HZ2 LYS 14 12.019 -5.919 -5.765 706 HZ3 LYS 14 HZ3 LYS 14 12.656 -7.173 -4.864 707 H LYS 15 H LYS 15 5.087 -3.880 -3.604 708 HA LYS 15 HA LYS 15 4.633 -1.229 -4.428 709 HB2 LYS 15 HB3 LYS 15 3.748 -3.198 -5.635 710 HB3 LYS 15 HB2 LYS 15 2.719 -3.592 -4.235 711 HG2 LYS 15 HG3 LYS 15 1.574 -1.421 -4.441 712 HG3 LYS 15 HG2 LYS 15 2.634 -0.966 -5.796 713 HD2 LYS 15 HD3 LYS 15 0.376 -1.858 -6.516 714 HD3 LYS 15 HD2 LYS 15 1.753 -2.787 -7.165 715 HE2 LYS 15 HE3 LYS 15 -0.062 -4.256 -6.202 716 HE3 LYS 15 HE2 LYS 15 1.518 -4.459 -5.406 717 HZ1 LYS 15 HZ1 LYS 15 -0.779 -2.907 -4.440 718 HZ2 LYS 15 HZ2 LYS 15 -0.077 -4.261 -3.749 719 HZ3 LYS 15 HZ3 LYS 15 0.749 -2.814 -3.772 720 H ALA 16 H ALA 16 3.403 -3.206 -1.672 721 HA ALA 16 HA ALA 16 1.483 -1.417 -0.821 722 HB1 ALA 16 HB1 ALA 16 3.413 -3.124 0.818 723 HB2 ALA 16 HB2 ALA 16 1.896 -2.410 1.414 724 HB3 ALA 16 HB3 ALA 16 1.853 -3.666 0.150 725 H LEU 17 H LEU 17 5.042 -1.451 -0.139 726 HA LEU 17 HA LEU 17 4.729 0.879 1.475 727 HB2 LEU 17 HB3 LEU 17 6.977 -0.844 0.490 728 HB3 LEU 17 HB2 LEU 17 7.365 0.801 1.044 729 HG LEU 17 HG LEU 17 6.463 0.391 3.223 730 HD11 LEU 17 HD11 LEU 17 5.329 -1.709 3.831 731 HD12 LEU 17 HD12 LEU 17 4.449 -0.877 2.528 732 HD13 LEU 17 HD13 LEU 17 5.470 -2.287 2.152 733 HD21 LEU 17 HD21 LEU 17 7.796 -1.604 3.936 734 HD22 LEU 17 HD22 LEU 17 7.991 -2.054 2.225 735 HD23 LEU 17 HD23 LEU 17 8.704 -0.540 2.832 736 H ASP 18 H ASP 18 5.099 0.329 -1.972 737 HA ASP 18 HA ASP 18 6.282 2.797 -2.560 738 HB2 ASP 18 HB3 ASP 18 6.164 1.226 -4.330 739 HB3 ASP 18 HB2 ASP 18 4.426 0.952 -4.092 740 H LEU 19 H LEU 19 2.938 1.858 -1.727 741 HA LEU 19 HA LEU 19 2.026 4.462 -2.464 742 HB2 LEU 19 HB3 LEU 19 0.843 2.081 -1.020 743 HB3 LEU 19 HB2 LEU 19 0.014 3.656 -1.030 744 HG LEU 19 HG LEU 19 0.065 3.700 -3.490 745 HD11 LEU 19 HD11 LEU 19 0.725 1.687 -4.746 746 HD12 LEU 19 HD12 LEU 19 2.101 2.289 -3.797 747 HD13 LEU 19 HD13 LEU 19 1.180 0.874 -3.232 748 HD21 LEU 19 HD21 LEU 19 -1.860 2.708 -2.249 749 HD22 LEU 19 HD22 LEU 19 -1.623 1.946 -3.839 750 HD23 LEU 19 HD23 LEU 19 -1.087 1.110 -2.363 751 H ALA 20 H ALA 20 4.003 3.489 0.147 752 HA ALA 20 HA ALA 20 2.634 5.164 2.034 753 HB1 ALA 20 HB1 ALA 20 4.525 4.615 3.505 754 HB2 ALA 20 HB2 ALA 20 3.889 3.131 2.761 755 HB3 ALA 20 HB3 ALA 20 5.390 3.861 2.149 756 H PHE 21 H PHE 21 4.417 5.935 -0.692 757 HA PHE 21 HA PHE 21 6.149 7.803 0.569 758 HB2 PHE 21 HB3 PHE 21 5.246 7.347 -2.299 759 HB3 PHE 21 HB2 PHE 21 6.303 8.702 -1.829 760 HD1 PHE 21 HD2 PHE 21 6.052 5.081 -1.101 761 HD2 PHE 21 HD1 PHE 21 8.532 8.319 -1.977 762 HE1 PHE 21 HE2 PHE 21 7.970 3.626 -1.032 763 HE2 PHE 21 HE1 PHE 21 10.449 6.862 -1.913 764 HZ PHE 21 HZ PHE 21 10.173 4.521 -1.423 765 H TYR 22 H TYR 22 5.951 10.135 0.004 766 HA TYR 22 HA TYR 22 4.821 12.084 -0.051 767 HB2 TYR 22 HB3 TYR 22 2.839 11.279 -1.278 768 HB3 TYR 22 HB2 TYR 22 2.239 10.482 0.205 769 HD1 TYR 22 HD2 TYR 22 3.474 13.803 -0.851 770 HD2 TYR 22 HD1 TYR 22 0.902 11.604 1.593 771 HE1 TYR 22 HE2 TYR 22 2.550 15.852 0.021 772 HE2 TYR 22 HE1 TYR 22 -0.023 13.652 2.464 773 HH TYR 22 HH TYR 22 1.007 16.919 1.489 774 H PHE 23 H PHE 23 4.712 9.585 2.331 775 HA PHE 23 HA PHE 23 4.539 9.686 4.549 776 HB2 PHE 23 HB3 PHE 23 5.225 12.603 4.018 777 HB3 PHE 23 HB2 PHE 23 5.262 11.815 5.611 778 HD1 PHE 23 HD1 PHE 23 6.576 9.538 5.583 779 HD2 PHE 23 HD2 PHE 23 7.200 12.652 2.873 780 HE1 PHE 23 HE1 PHE 23 8.812 8.736 5.179 781 HE2 PHE 23 HE2 PHE 23 9.434 11.845 2.464 782 HZ PHE 23 HZ PHE 23 10.243 9.895 3.624 783 H ASP 24 H ASP 24 2.018 9.528 3.650 784 HA ASP 24 HA ASP 24 0.489 11.795 4.564 785 HB2 ASP 24 HB3 ASP 24 -0.502 10.367 2.877 786 HB3 ASP 24 HB2 ASP 24 -0.085 8.894 3.783 787 H ARG 25 H ARG 25 1.906 11.642 6.699 788 HA ARG 25 HA ARG 25 2.101 11.100 8.863 789 HB2 ARG 25 HB3 ARG 25 -0.397 11.488 8.817 790 HB3 ARG 25 HB2 ARG 25 -0.604 9.746 8.524 791 HG2 ARG 25 HG3 ARG 25 -0.814 9.985 10.863 792 HG3 ARG 25 HG2 ARG 25 0.845 9.386 10.631 793 HD2 ARG 25 HD3 ARG 25 0.121 12.345 10.890 794 HD3 ARG 25 HD2 ARG 25 0.607 11.316 12.257 795 HE ARG 25 HE ARG 25 2.676 10.912 10.883 796 HH11 ARG 25 HH11 ARG 25 0.728 13.796 10.786 797 HH12 ARG 25 HH12 ARG 25 1.992 14.822 10.368 798 HH21 ARG 25 HH21 ARG 25 4.420 12.336 10.290 799 HH22 ARG 25 HH22 ARG 25 4.128 13.977 10.083 800 H ARG 26 H ARG 26 2.493 8.942 6.421 801 HA ARG 26 HA ARG 26 2.275 6.576 8.068 802 HB2 ARG 26 HB3 ARG 26 3.360 6.939 5.234 803 HB3 ARG 26 HB2 ARG 26 2.867 5.412 5.994 804 HG2 ARG 26 HG3 ARG 26 1.037 7.755 5.339 805 HG3 ARG 26 HG2 ARG 26 1.171 6.265 4.395 806 HD2 ARG 26 HD3 ARG 26 0.311 4.943 6.278 807 HD3 ARG 26 HD2 ARG 26 0.261 6.407 7.292 808 HE ARG 26 HE ARG 26 -1.297 7.249 5.449 809 HH11 ARG 26 HH11 ARG 26 -0.929 3.977 6.557 810 HH12 ARG 26 HH12 ARG 26 -2.502 3.512 6.196 811 HH21 ARG 26 HH21 ARG 26 -3.472 6.604 4.933 812 HH22 ARG 26 HH22 ARG 26 -3.993 5.036 5.257 813 H LEU 27 H LEU 27 4.346 5.103 7.857 814 HA LEU 27 HA LEU 27 6.519 4.737 7.950 815 HB2 LEU 27 HB3 LEU 27 6.533 6.162 5.898 816 HB3 LEU 27 HB2 LEU 27 6.917 7.568 6.914 817 HG LEU 27 HG LEU 27 8.895 6.384 5.814 818 HD11 LEU 27 HD11 LEU 27 9.116 7.933 7.737 819 HD12 LEU 27 HD12 LEU 27 8.874 6.571 8.854 820 HD13 LEU 27 HD13 LEU 27 10.311 6.616 7.808 821 HD21 LEU 27 HD21 LEU 27 8.229 4.316 7.956 822 HD22 LEU 27 HD22 LEU 27 8.111 4.068 6.197 823 HD23 LEU 27 HD23 LEU 27 9.700 4.335 6.954 824 H THR 28 H THR 28 5.090 7.206 9.898 825 HA THR 28 HA THR 28 7.595 7.711 11.214 826 HB THR 28 HB THR 28 6.198 9.127 12.697 827 HG1 THR 28 HG1 THR 28 4.089 8.071 11.130 828 HG21 THR 28 HG21 THR 28 5.425 9.383 9.759 829 HG22 THR 28 HG22 THR 28 5.311 10.670 10.982 830 HG23 THR 28 HG23 THR 28 6.903 10.038 10.502 831 HA PRO 29 HA PRO 29 7.602 4.525 14.077 832 HB2 PRO 29 HB3 PRO 29 6.831 6.455 16.275 833 HB3 PRO 29 HB2 PRO 29 8.073 5.159 16.302 834 HG2 PRO 29 HG3 PRO 29 8.835 7.706 15.854 835 HG3 PRO 29 HG2 PRO 29 9.508 6.392 14.836 836 HD2 PRO 29 HD3 PRO 29 7.313 8.358 14.166 837 HD3 PRO 29 HD2 PRO 29 8.618 7.714 13.116 838 H GLU 30 H GLU 30 4.686 6.553 14.688 839 HA GLU 30 HA GLU 30 3.532 4.154 15.786 840 HB2 GLU 30 HB3 GLU 30 2.370 6.923 15.281 841 HB3 GLU 30 HB2 GLU 30 1.526 5.596 16.115 842 HG2 GLU 30 HG3 GLU 30 4.163 6.865 16.983 843 HG3 GLU 30 HG2 GLU 30 2.576 7.142 17.737 844 H TRP 31 H TRP 31 3.911 5.471 12.641 845 HA TRP 31 HA TRP 31 1.636 3.841 11.834 846 HB2 TRP 31 HB3 TRP 31 2.898 6.271 10.566 847 HB3 TRP 31 HB2 TRP 31 2.077 5.042 9.571 848 HD1 TRP 31 HD1 TRP 31 -0.505 4.952 9.639 849 HE1 TRP 31 HE1 TRP 31 -2.315 6.198 10.838 850 HE3 TRP 31 HE3 TRP 31 2.381 7.490 12.797 851 HZ2 TRP 31 HZ2 TRP 31 -2.456 8.023 12.894 852 HZ3 TRP 31 HZ3 TRP 31 1.339 9.002 14.382 853 HH2 TRP 31 HH2 TRP 31 -1.050 9.259 14.434 854 H ARG 32 H ARG 32 4.843 3.684 12.384 855 HA ARG 32 HA ARG 32 5.518 2.180 10.005 856 HB2 ARG 32 HB3 ARG 32 7.062 3.784 11.264 857 HB3 ARG 32 HB2 ARG 32 7.045 2.629 12.612 858 HG2 ARG 32 HG3 ARG 32 8.031 0.909 11.128 859 HG3 ARG 32 HG2 ARG 32 7.972 2.053 9.760 860 HD2 ARG 32 HD3 ARG 32 9.505 2.425 12.374 861 HD3 ARG 32 HD2 ARG 32 10.217 2.130 10.770 862 HE ARG 32 HE ARG 32 8.667 4.347 10.454 863 HH11 ARG 32 HH11 ARG 32 11.269 3.353 12.558 864 HH12 ARG 32 HH12 ARG 32 11.866 4.907 12.784 865 HH21 ARG 32 HH21 ARG 32 9.479 6.446 10.767 866 HH22 ARG 32 HH22 ARG 32 10.835 6.714 11.727 867 H ARG 33 H ARG 33 4.958 1.822 13.540 868 HA ARG 33 HA ARG 33 5.080 -0.991 13.410 869 HB2 ARG 33 HB3 ARG 33 4.062 -0.919 15.635 870 HB3 ARG 33 HB2 ARG 33 5.353 0.299 15.517 871 HG2 ARG 33 HG3 ARG 33 3.626 2.037 15.017 872 HG3 ARG 33 HG2 ARG 33 2.357 0.806 15.226 873 HD2 ARG 33 HD3 ARG 33 2.684 2.110 17.314 874 HD3 ARG 33 HD2 ARG 33 3.130 0.402 17.546 875 HE ARG 33 HE ARG 33 5.349 1.955 16.746 876 HH11 ARG 33 HH11 ARG 33 3.217 1.207 19.393 877 HH12 ARG 33 HH12 ARG 33 4.346 1.527 20.596 878 HH21 ARG 33 HH21 ARG 33 6.912 2.385 18.409 879 HH22 ARG 33 HH22 ARG 33 6.488 2.210 20.026 880 H TYR 34 H TYR 34 2.704 1.370 12.489 881 HA TYR 34 HA TYR 34 0.399 -0.235 12.678 882 HB2 TYR 34 HB3 TYR 34 0.293 2.202 12.379 883 HB3 TYR 34 HB2 TYR 34 1.259 2.069 10.897 884 HD1 TYR 34 HD2 TYR 34 -1.959 0.843 12.258 885 HD2 TYR 34 HD1 TYR 34 0.273 1.997 8.925 886 HE1 TYR 34 HE2 TYR 34 -3.932 0.714 10.882 887 HE2 TYR 34 HE1 TYR 34 -1.695 1.840 7.544 888 HH TYR 34 HH TYR 34 -4.026 1.454 7.391 889 H LEU 35 H LEU 35 2.611 0.554 9.919 890 HA LEU 35 HA LEU 35 1.278 -1.145 8.145 891 HB2 LEU 35 HB3 LEU 35 4.159 -0.158 8.291 892 HB3 LEU 35 HB2 LEU 35 3.479 -1.042 6.903 893 HG LEU 35 HG LEU 35 2.334 1.551 8.024 894 HD11 LEU 35 HD11 LEU 35 3.285 2.596 5.991 895 HD12 LEU 35 HD12 LEU 35 4.567 1.891 7.006 896 HD13 LEU 35 HD13 LEU 35 4.026 1.042 5.538 897 HD21 LEU 35 HD21 LEU 35 1.753 -0.053 5.496 898 HD22 LEU 35 HD22 LEU 35 0.686 0.087 6.914 899 HD23 LEU 35 HD23 LEU 35 1.028 1.518 5.912 900 H SER 36 H SER 36 4.183 -1.685 10.228 901 HA SER 36 HA SER 36 4.471 -4.307 9.259 902 HB2 SER 36 HB3 SER 36 6.054 -4.529 11.158 903 HB3 SER 36 HB2 SER 36 6.338 -3.042 10.221 904 HG SER 36 HG SER 36 5.171 -1.906 11.728 905 H GLN 37 H GLN 37 2.001 -3.109 11.300 906 HA GLN 37 HA GLN 37 1.929 -5.228 13.146 907 HB2 GLN 37 HB3 GLN 37 0.669 -3.090 13.398 908 HB3 GLN 37 HB2 GLN 37 -0.327 -3.531 11.989 909 HG2 GLN 37 HG3 GLN 37 -1.080 -5.579 13.169 910 HG3 GLN 37 HG2 GLN 37 -0.088 -5.131 14.577 911 HE21 GLN 37 HE21 GLN 37 -1.156 -2.246 13.260 912 HE22 GLN 37 HE22 GLN 37 -2.544 -2.060 14.187 913 H ARG 38 H ARG 38 0.273 -4.716 9.948 914 HA ARG 38 HA ARG 38 -0.302 -7.585 10.149 915 HB2 ARG 38 HB3 ARG 38 -1.892 -5.382 8.761 916 HB3 ARG 38 HB2 ARG 38 -2.290 -7.117 8.755 917 HG2 ARG 38 HG3 ARG 38 -2.361 -7.034 11.282 918 HG3 ARG 38 HG2 ARG 38 -2.177 -5.266 11.174 919 HD2 ARG 38 HD3 ARG 38 -4.440 -6.936 9.976 920 HD3 ARG 38 HD2 ARG 38 -4.550 -5.838 11.373 921 HE ARG 38 HE ARG 38 -3.846 -4.085 9.702 922 HH11 ARG 38 HH11 ARG 38 -5.658 -6.966 9.013 923 HH12 ARG 38 HH12 ARG 38 -6.445 -6.345 7.665 924 HH21 ARG 38 HH21 ARG 38 -4.898 -3.236 7.786 925 HH22 ARG 38 HH22 ARG 38 -6.004 -4.187 6.953 926 H LEU 39 H LEU 39 1.728 -5.456 8.568 927 HA LEU 39 HA LEU 39 1.334 -6.370 5.912 928 HB2 LEU 39 HB3 LEU 39 2.536 -4.275 6.456 929 HB3 LEU 39 HB2 LEU 39 3.780 -5.209 7.320 930 HG LEU 39 HG LEU 39 4.326 -6.400 5.199 931 HD11 LEU 39 HD11 LEU 39 2.288 -4.460 4.019 932 HD12 LEU 39 HD12 LEU 39 3.348 -5.533 3.080 933 HD13 LEU 39 HD13 LEU 39 2.092 -6.226 4.136 934 HD21 LEU 39 HD21 LEU 39 5.296 -4.401 4.028 935 HD22 LEU 39 HD22 LEU 39 4.294 -3.351 5.057 936 HD23 LEU 39 HD23 LEU 39 5.563 -4.362 5.788 937 H GLY 40 H GLY 40 3.728 -7.178 8.495 938 HA2 GLY 40 HA3 GLY 40 4.092 -9.573 8.801 939 HA3 GLY 40 HA2 GLY 40 4.092 -9.688 7.024 940 H LEU 41 H LEU 41 5.521 -6.762 7.685 941 HA LEU 41 HA LEU 41 8.128 -8.086 7.674 942 HB2 LEU 41 HB3 LEU 41 7.391 -5.278 6.737 943 HB3 LEU 41 HB2 LEU 41 8.985 -6.053 6.612 944 HG LEU 41 HG LEU 41 6.437 -7.022 5.253 945 HD11 LEU 41 HD11 LEU 41 8.959 -5.713 4.141 946 HD12 LEU 41 HD12 LEU 41 7.550 -6.249 3.198 947 HD13 LEU 41 HD13 LEU 41 7.393 -4.896 4.343 948 HD21 LEU 41 HD21 LEU 41 8.025 -8.847 5.854 949 HD22 LEU 41 HD22 LEU 41 7.951 -8.592 4.094 950 HD23 LEU 41 HD23 LEU 41 9.330 -7.964 5.027 951 H ASN 42 H ASN 42 9.839 -6.356 8.661 952 HA ASN 42 HA ASN 42 8.623 -5.691 11.225 953 HB2 ASN 42 HB3 ASN 42 11.521 -6.019 10.335 954 HB3 ASN 42 HB2 ASN 42 11.043 -5.483 11.964 955 HD21 ASN 42 HD21 ASN 42 12.510 -7.838 11.799 956 HD22 ASN 42 HD22 ASN 42 11.490 -9.136 12.113 957 H GLU 43 H GLU 43 9.416 -3.552 12.182 958 HA GLU 43 HA GLU 43 8.767 -1.495 10.445 959 HB2 GLU 43 HB3 GLU 43 10.336 -1.545 13.058 960 HB3 GLU 43 HB2 GLU 43 9.789 -0.055 12.254 961 HG2 GLU 43 HG3 GLU 43 7.445 -0.843 12.371 962 HG3 GLU 43 HG2 GLU 43 7.983 -2.334 13.180 963 H GLU 44 H GLU 44 11.919 -2.928 11.294 964 HA GLU 44 HA GLU 44 13.509 -0.966 10.122 965 HB2 GLU 44 HB3 GLU 44 14.322 -2.820 11.573 966 HB3 GLU 44 HB2 GLU 44 13.903 -3.987 10.296 967 HG2 GLU 44 HG3 GLU 44 15.471 -2.855 8.746 968 HG3 GLU 44 HG2 GLU 44 15.878 -1.678 10.018 969 H GLN 45 H GLN 45 11.759 -3.785 8.729 970 HA GLN 45 HA GLN 45 13.075 -3.450 6.232 971 HB2 GLN 45 HB3 GLN 45 10.539 -4.930 7.048 972 HB3 GLN 45 HB2 GLN 45 11.382 -5.129 5.492 973 HG2 GLN 45 HG3 GLN 45 12.682 -5.593 8.211 974 HG3 GLN 45 HG2 GLN 45 11.957 -6.889 7.233 975 HE21 GLN 45 HE21 GLN 45 12.764 -6.744 4.784 976 HE22 GLN 45 HE22 GLN 45 14.428 -6.578 4.634 977 H ILE 46 H ILE 46 10.521 -1.729 7.807 978 HA ILE 46 HA ILE 46 9.154 -1.106 5.357 979 HB ILE 46 HB ILE 46 9.154 0.311 8.066 980 HG12 ILE 46 HG13 ILE 46 8.369 -2.022 8.285 981 HG13 ILE 46 HG12 ILE 46 7.030 -0.873 8.487 982 HG21 ILE 46 HG21 ILE 46 7.038 1.288 7.258 983 HG22 ILE 46 HG22 ILE 46 8.372 1.678 6.147 984 HG23 ILE 46 HG23 ILE 46 7.205 0.404 5.722 985 HD11 ILE 46 HD11 ILE 46 6.350 -2.752 7.047 986 HD12 ILE 46 HD12 ILE 46 6.375 -1.235 6.118 987 HD13 ILE 46 HD13 ILE 46 7.702 -2.410 5.941 988 H GLU 47 H GLU 47 11.445 0.377 7.652 989 HA GLU 47 HA GLU 47 11.803 2.780 6.289 990 HB2 GLU 47 HB3 GLU 47 13.646 1.108 8.060 991 HB3 GLU 47 HB2 GLU 47 13.967 2.789 7.575 992 HG2 GLU 47 HG3 GLU 47 11.889 3.527 8.668 993 HG3 GLU 47 HG2 GLU 47 11.513 1.846 9.120 994 H ARG 48 H ARG 48 13.521 -0.372 6.066 995 HA ARG 48 HA ARG 48 15.542 0.563 4.416 996 HB2 ARG 48 HB3 ARG 48 14.483 -2.052 5.298 997 HB3 ARG 48 HB2 ARG 48 15.282 -2.065 3.707 998 HG2 ARG 48 HG3 ARG 48 16.915 -2.462 5.532 999 HG3 ARG 48 HG2 ARG 48 17.262 -0.958 4.650 1000 HD2 ARG 48 HD3 ARG 48 16.131 0.349 6.423 1001 HD3 ARG 48 HD2 ARG 48 15.778 -1.157 7.305 1002 HE ARG 48 HE ARG 48 18.493 -1.094 6.830 1003 HH11 ARG 48 HH11 ARG 48 16.023 0.705 8.494 1004 HH12 ARG 48 HH12 ARG 48 17.023 1.226 9.740 1005 HH21 ARG 48 HH21 ARG 48 19.875 -0.377 8.551 1006 HH22 ARG 48 HH22 ARG 48 19.259 0.599 9.772 1007 H TRP 49 H TRP 49 12.599 -1.334 3.311 1008 HA TRP 49 HA TRP 49 13.378 -1.058 0.665 1009 HB2 TRP 49 HB3 TRP 49 11.610 -2.610 1.397 1010 HB3 TRP 49 HB2 TRP 49 10.574 -1.228 1.834 1011 HD1 TRP 49 HD1 TRP 49 8.949 -0.606 -0.077 1012 HE1 TRP 49 HE1 TRP 49 8.926 -0.750 -2.575 1013 HE3 TRP 49 HE3 TRP 49 13.477 -2.553 -0.677 1014 HZ2 TRP 49 HZ2 TRP 49 10.667 -1.619 -4.539 1015 HZ3 TRP 49 HZ3 TRP 49 14.273 -3.016 -2.922 1016 HH2 TRP 49 HH2 TRP 49 12.882 -2.559 -4.827 1017 H PHE 50 H PHE 50 11.328 1.068 2.684 1018 HA PHE 50 HA PHE 50 10.467 2.751 0.678 1019 HB2 PHE 50 HB3 PHE 50 9.666 2.670 3.030 1020 HB3 PHE 50 HB2 PHE 50 11.195 3.391 3.577 1021 HD1 PHE 50 HD1 PHE 50 11.764 5.678 2.648 1022 HD2 PHE 50 HD2 PHE 50 7.968 3.984 2.280 1023 HE1 PHE 50 HE1 PHE 50 10.830 7.859 2.233 1024 HE2 PHE 50 HE2 PHE 50 7.033 6.167 1.886 1025 HZ PHE 50 HZ PHE 50 8.463 8.104 1.848 1026 H ARG 51 H ARG 51 13.426 3.053 2.757 1027 HA ARG 51 HA ARG 51 14.063 5.438 1.353 1028 HB2 ARG 51 HB3 ARG 51 16.004 5.582 2.777 1029 HB3 ARG 51 HB2 ARG 51 14.599 5.111 3.754 1030 HG2 ARG 51 HG3 ARG 51 16.153 3.599 4.547 1031 HG3 ARG 51 HG2 ARG 51 15.481 2.650 3.202 1032 HD2 ARG 51 HD3 ARG 51 17.329 3.506 1.741 1033 HD3 ARG 51 HD2 ARG 51 18.007 4.370 3.137 1034 HE ARG 51 HE ARG 51 17.642 1.466 3.161 1035 HH11 ARG 51 HH11 ARG 51 19.522 4.378 3.485 1036 HH12 ARG 51 HH12 ARG 51 20.899 3.608 4.065 1037 HH21 ARG 51 HH21 ARG 51 19.543 0.406 3.966 1038 HH22 ARG 51 HH22 ARG 51 20.911 1.306 4.344 1039 H ARG 52 H ARG 52 14.892 2.037 0.955 1040 HA ARG 52 HA ARG 52 17.313 2.391 -0.352 1041 HB2 ARG 52 HB3 ARG 52 15.153 0.285 -0.435 1042 HB3 ARG 52 HB2 ARG 52 16.548 0.202 -1.536 1043 HG2 ARG 52 HG3 ARG 52 16.849 0.524 1.476 1044 HG3 ARG 52 HG2 ARG 52 16.842 -1.057 0.657 1045 HD2 ARG 52 HD3 ARG 52 18.732 1.241 0.009 1046 HD3 ARG 52 HD2 ARG 52 19.162 -0.174 1.000 1047 HE ARG 52 HE ARG 52 18.248 -0.452 -1.768 1048 HH11 ARG 52 HH11 ARG 52 20.495 -0.985 0.839 1049 HH12 ARG 52 HH12 ARG 52 21.463 -2.060 -0.014 1050 HH21 ARG 52 HH21 ARG 52 19.583 -1.941 -2.937 1051 HH22 ARG 52 HH22 ARG 52 20.935 -2.614 -2.202 1052 H LYS 53 H LYS 53 13.936 2.431 -1.673 1053 HA LYS 53 HA LYS 53 14.859 2.542 -4.304 1054 HB2 LYS 53 HB3 LYS 53 12.312 3.650 -3.043 1055 HB3 LYS 53 HB2 LYS 53 12.630 3.578 -4.791 1056 HG2 LYS 53 HG3 LYS 53 13.020 1.078 -4.516 1057 HG3 LYS 53 HG2 LYS 53 12.364 1.235 -2.866 1058 HD2 LYS 53 HD3 LYS 53 10.944 2.149 -5.413 1059 HD3 LYS 53 HD2 LYS 53 10.607 0.619 -4.573 1060 HE2 LYS 53 HE3 LYS 53 10.004 1.881 -2.524 1061 HE3 LYS 53 HE2 LYS 53 10.337 3.409 -3.379 1062 HZ1 LYS 53 HZ1 LYS 53 8.023 2.870 -3.427 1063 HZ2 LYS 53 HZ2 LYS 53 8.659 2.813 -4.969 1064 HZ3 LYS 53 HZ3 LYS 53 8.334 1.397 -4.147 1065 H GLU 54 H GLU 54 15.035 5.012 -1.805 1066 HA GLU 54 HA GLU 54 15.090 6.986 -3.943 1067 HB2 GLU 54 HB3 GLU 54 15.230 7.439 -0.934 1068 HB3 GLU 54 HB2 GLU 54 14.904 8.641 -2.207 1069 HG2 GLU 54 HG3 GLU 54 12.937 7.011 -2.840 1070 HG3 GLU 54 HG2 GLU 54 13.143 6.406 -1.185 1071 H GLN 55 H GLN 55 17.160 5.549 -1.364 1072 HA GLN 55 HA GLN 55 19.228 7.375 -2.018 1073 HB2 GLN 55 HB3 GLN 55 20.586 6.060 -0.484 1074 HB3 GLN 55 HB2 GLN 55 18.979 6.343 0.219 1075 HG2 GLN 55 HG3 GLN 55 19.432 4.054 0.640 1076 HG3 GLN 55 HG2 GLN 55 18.329 4.047 -0.757 1077 HE21 GLN 55 HE21 GLN 55 21.903 4.443 -0.254 1078 HE22 GLN 55 HE22 GLN 55 22.308 3.337 -1.453 1079 H GLN 56 H GLN 56 17.994 4.804 -3.824 1080 HA GLN 56 HA GLN 56 20.505 3.707 -4.587 1081 HB2 GLN 56 HB3 GLN 56 18.359 2.461 -4.742 1082 HB3 GLN 56 HB2 GLN 56 17.762 3.658 -5.915 1083 HG2 GLN 56 HG3 GLN 56 18.606 1.762 -7.169 1084 HG3 GLN 56 HG2 GLN 56 19.757 3.104 -7.375 1085 HE21 GLN 56 HE21 GLN 56 19.651 -0.170 -6.816 1086 HE22 GLN 56 HE22 GLN 56 21.080 -0.324 -5.947 1087 H ILE 57 H ILE 57 18.175 5.994 -6.262 1088 HA ILE 57 HA ILE 57 20.427 6.346 -8.063 1089 HB ILE 57 HB ILE 57 18.954 6.869 -9.792 1090 HG12 ILE 57 HG13 ILE 57 16.451 7.314 -9.210 1091 HG13 ILE 57 HG12 ILE 57 17.056 7.674 -7.573 1092 HG21 ILE 57 HG21 ILE 57 18.727 4.513 -9.063 1093 HG22 ILE 57 HG22 ILE 57 17.414 4.981 -7.956 1094 HG23 ILE 57 HG23 ILE 57 17.192 5.132 -9.716 1095 HD11 ILE 57 HD11 ILE 57 18.662 9.319 -8.591 1096 HD12 ILE 57 HD12 ILE 57 17.986 8.953 -10.192 1097 HD13 ILE 57 HD13 ILE 57 16.977 9.736 -8.957 1098 H GLY 58 H GLY 58 18.829 8.067 -5.502 1099 HA2 GLY 58 HA3 GLY 58 20.113 10.118 -5.044 1100 HA3 GLY 58 HA2 GLY 58 19.907 10.501 -6.765 1101 H TRP 59 H TRP 59 17.577 9.172 -4.448 1102 HA TRP 59 HA TRP 59 15.673 9.879 -3.611 1103 HB2 TRP 59 HB3 TRP 59 17.104 11.724 -2.759 1104 HB3 TRP 59 HB2 TRP 59 16.761 12.642 -4.244 1105 HD1 TRP 59 HD1 TRP 59 14.798 11.088 -1.290 1106 HE1 TRP 59 HE1 TRP 59 12.755 12.476 -0.882 1107 HE3 TRP 59 HE3 TRP 59 15.351 14.255 -5.086 1108 HZ2 TRP 59 HZ2 TRP 59 11.557 14.661 -2.060 1109 HZ3 TRP 59 HZ3 TRP 59 13.707 16.013 -5.396 1110 HH2 TRP 59 HH2 TRP 59 11.834 16.210 -3.904 1111 H SER 60 H SER 60 15.280 9.021 -6.216 1112 HA SER 60 HA SER 60 13.199 10.953 -6.916 1113 HB2 SER 60 HB3 SER 60 14.947 9.431 -8.890 1114 HB3 SER 60 HB2 SER 60 13.596 10.513 -9.294 1115 HG SER 60 HG SER 60 15.962 11.185 -7.886 1116 H HIS 61 H HIS 61 13.796 8.022 -5.691 1117 HA HIS 61 HA HIS 61 13.073 5.905 -6.082 1118 HB2 HIS 61 HB3 HIS 61 10.666 5.865 -5.314 1119 HB3 HIS 61 HB2 HIS 61 11.838 6.691 -4.277 1120 HD1 HIS 61 HD1 HIS 61 11.333 9.106 -3.758 1121 HD2 HIS 61 HD2 HIS 61 9.148 7.639 -6.904 1122 HE1 HIS 61 HE1 HIS 61 9.667 10.860 -4.403 1123 HE2 HIS 61 HE2 HIS 61 8.345 9.948 -6.321 1124 HA PRO 62 HA PRO 62 11.041 5.839 -10.119 1125 HB2 PRO 62 HB3 PRO 62 13.066 5.106 -11.747 1126 HB3 PRO 62 HB2 PRO 62 12.961 6.815 -11.200 1127 HG2 PRO 62 HG3 PRO 62 14.641 4.567 -10.030 1128 HG3 PRO 62 HG2 PRO 62 15.171 6.220 -10.478 1129 HD2 PRO 62 HD3 PRO 62 14.428 5.484 -7.898 1130 HD3 PRO 62 HD2 PRO 62 14.229 7.142 -8.550 1131 H GLN 63 H GLN 63 12.393 3.922 -7.857 1132 HA GLN 63 HA GLN 63 12.577 1.530 -9.446 1133 HB2 GLN 63 HB3 GLN 63 12.916 2.136 -6.480 1134 HB3 GLN 63 HB2 GLN 63 13.272 0.572 -7.249 1135 HG2 GLN 63 HG3 GLN 63 14.591 3.227 -7.973 1136 HG3 GLN 63 HG2 GLN 63 15.314 1.979 -6.932 1137 HE21 GLN 63 HE21 GLN 63 15.088 -0.370 -8.110 1138 HE22 GLN 63 HE22 GLN 63 15.641 -0.337 -9.696 1139 H PHE 64 H PHE 64 9.891 3.103 -8.547 1140 HA PHE 64 HA PHE 64 8.502 1.755 -6.737 1141 HB2 PHE 64 HB3 PHE 64 6.504 2.332 -8.057 1142 HB3 PHE 64 HB2 PHE 64 7.652 3.680 -7.927 1143 HD1 PHE 64 HD1 PHE 64 9.236 4.001 -9.855 1144 HD2 PHE 64 HD2 PHE 64 5.799 1.667 -10.145 1145 HE1 PHE 64 HE1 PHE 64 9.314 4.188 -12.256 1146 HE2 PHE 64 HE2 PHE 64 5.873 1.845 -12.546 1147 HZ PHE 64 HZ PHE 64 7.640 3.098 -13.604 1148 H GLU 65 H GLU 65 8.778 0.443 -10.165 1149 HA GLU 65 HA GLU 65 7.934 -2.001 -8.795 1150 HB2 GLU 65 HB3 GLU 65 7.420 -1.208 -11.688 1151 HB3 GLU 65 HB2 GLU 65 7.168 -2.840 -11.029 1152 HG2 GLU 65 HG3 GLU 65 5.547 -1.938 -9.389 1153 HG3 GLU 65 HG2 GLU 65 5.785 -0.309 -10.054 1154 H LYS 66 H LYS 66 10.649 -1.130 -8.862 1155 HA LYS 66 HA LYS 66 11.672 -3.101 -10.772 1156 HB2 LYS 66 HB3 LYS 66 12.870 -0.432 -9.907 1157 HB3 LYS 66 HB2 LYS 66 13.683 -1.632 -10.940 1158 HG2 LYS 66 HG3 LYS 66 11.838 -1.462 -12.589 1159 HG3 LYS 66 HG2 LYS 66 11.036 -0.248 -11.565 1160 HD2 LYS 66 HD3 LYS 66 13.005 1.243 -11.792 1161 HD3 LYS 66 HD2 LYS 66 13.799 0.032 -12.828 1162 HE2 LYS 66 HE3 LYS 66 11.913 0.186 -14.439 1163 HE3 LYS 66 HE2 LYS 66 11.136 1.411 -13.409 1164 HZ1 LYS 66 HZ1 LYS 66 12.387 2.391 -15.190 1165 HZ2 LYS 66 HZ2 LYS 66 13.047 2.801 -13.712 1166 HZ3 LYS 66 HZ3 LYS 66 13.787 1.648 -14.666 Start of MODEL 6 1 H1 MET 1 H1 MET 1 -8.223 -16.304 4.613 2 H2 MET 1 H2 MET 1 -9.890 -16.328 4.558 3 H3 MET 1 H3 MET 1 -9.104 -15.201 5.504 4 HA MET 1 HA MET 1 -9.003 -15.366 2.568 5 HB2 MET 1 HB3 MET 1 -11.191 -14.624 3.534 6 HB3 MET 1 HB2 MET 1 -10.330 -13.348 4.428 7 HG2 MET 1 HG3 MET 1 -11.223 -12.368 2.396 8 HG3 MET 1 HG2 MET 1 -9.459 -12.495 2.205 9 HE1 MET 1 HE1 MET 1 -11.333 -11.914 0.016 10 HE2 MET 1 HE2 MET 1 -9.571 -12.125 -0.117 11 HE3 MET 1 HE3 MET 1 -10.652 -12.916 -1.288 12 H GLU 2 H GLU 2 -6.559 -15.436 3.471 13 HA GLU 2 HA GLU 2 -5.798 -12.624 3.631 14 HB2 GLU 2 HB3 GLU 2 -3.715 -13.736 4.867 15 HB3 GLU 2 HB2 GLU 2 -5.202 -13.279 5.727 16 HG2 GLU 2 HG3 GLU 2 -4.759 -15.458 6.487 17 HG3 GLU 2 HG2 GLU 2 -6.030 -15.678 5.265 18 H LYS 3 H LYS 3 -5.710 -15.385 1.693 19 HA LYS 3 HA LYS 3 -3.203 -14.410 0.517 20 HB2 LYS 3 HB3 LYS 3 -4.696 -17.057 0.248 21 HB3 LYS 3 HB2 LYS 3 -3.302 -16.611 -0.756 22 HG2 LYS 3 HG3 LYS 3 -3.097 -16.600 2.271 23 HG3 LYS 3 HG2 LYS 3 -2.911 -18.098 1.332 24 HD2 LYS 3 HD3 LYS 3 -0.706 -17.320 1.503 25 HD3 LYS 3 HD2 LYS 3 -1.219 -16.761 -0.104 26 HE2 LYS 3 HE3 LYS 3 -0.118 -14.901 0.963 27 HE3 LYS 3 HE2 LYS 3 -1.859 -14.548 1.023 28 HZ1 LYS 3 HZ1 LYS 3 -0.842 -14.160 3.119 29 HZ2 LYS 3 HZ2 LYS 3 -1.869 -15.467 3.254 30 HZ3 LYS 3 HZ3 LYS 3 -0.221 -15.708 3.175 31 H ARG 4 H ARG 4 -3.601 -13.110 -1.269 32 HA ARG 4 HA ARG 4 -6.114 -12.603 -2.212 33 HB2 ARG 4 HB3 ARG 4 -4.109 -11.212 -2.603 34 HB3 ARG 4 HB2 ARG 4 -3.488 -12.426 -3.745 35 HG2 ARG 4 HG3 ARG 4 -6.275 -11.292 -4.095 36 HG3 ARG 4 HG2 ARG 4 -4.862 -10.358 -4.639 37 HD2 ARG 4 HD3 ARG 4 -5.440 -13.232 -5.486 38 HD3 ARG 4 HD2 ARG 4 -5.812 -11.782 -6.446 39 HE ARG 4 HE ARG 4 -3.338 -11.331 -6.195 40 HH11 ARG 4 HH11 ARG 4 -4.817 -14.494 -6.339 41 HH12 ARG 4 HH12 ARG 4 -3.462 -15.251 -6.977 42 HH21 ARG 4 HH21 ARG 4 -1.495 -12.394 -7.098 43 HH22 ARG 4 HH22 ARG 4 -1.552 -14.039 -7.433 44 HA PRO 5 HA PRO 5 -6.380 -16.432 -4.402 45 HB2 PRO 5 HB3 PRO 5 -9.080 -16.708 -4.360 46 HB3 PRO 5 HB2 PRO 5 -8.117 -16.796 -2.853 47 HG2 PRO 5 HG3 PRO 5 -9.715 -14.453 -3.916 48 HG3 PRO 5 HG2 PRO 5 -9.607 -15.072 -2.244 49 HD2 PRO 5 HD3 PRO 5 -8.094 -12.941 -3.307 50 HD3 PRO 5 HD2 PRO 5 -7.659 -13.889 -1.850 51 H ARG 6 H ARG 6 -9.456 -15.217 -5.510 52 HA ARG 6 HA ARG 6 -8.213 -15.157 -8.129 53 HB2 ARG 6 HB3 ARG 6 -11.119 -15.396 -7.247 54 HB3 ARG 6 HB2 ARG 6 -10.542 -15.433 -8.933 55 HG2 ARG 6 HG3 ARG 6 -9.101 -17.385 -8.388 56 HG3 ARG 6 HG2 ARG 6 -9.708 -17.359 -6.716 57 HD2 ARG 6 HD3 ARG 6 -12.012 -17.753 -7.552 58 HD3 ARG 6 HD2 ARG 6 -11.394 -17.800 -9.222 59 HE ARG 6 HE ARG 6 -9.925 -19.607 -7.740 60 HH11 ARG 6 HH11 ARG 6 -13.209 -19.034 -8.743 61 HH12 ARG 6 HH12 ARG 6 -13.638 -20.657 -8.794 62 HH21 ARG 6 HH21 ARG 6 -10.516 -21.841 -7.806 63 HH22 ARG 6 HH22 ARG 6 -12.074 -22.288 -8.250 64 H THR 7 H THR 7 -7.331 -13.025 -7.506 65 HA THR 7 HA THR 7 -7.343 -10.775 -7.453 66 HB THR 7 HB THR 7 -8.200 -9.900 -9.591 67 HG1 THR 7 HG1 THR 7 -10.147 -11.086 -9.510 68 HG21 THR 7 HG21 THR 7 -7.093 -12.730 -9.867 69 HG22 THR 7 HG22 THR 7 -6.957 -11.421 -11.067 70 HG23 THR 7 HG23 THR 7 -6.111 -11.292 -9.505 71 H GLU 8 H GLU 8 -9.181 -11.349 -5.475 72 HA GLU 8 HA GLU 8 -11.221 -9.360 -6.147 73 HB2 GLU 8 HB3 GLU 8 -12.705 -10.532 -4.534 74 HB3 GLU 8 HB2 GLU 8 -12.272 -11.558 -5.921 75 HG2 GLU 8 HG3 GLU 8 -10.503 -12.643 -4.569 76 HG3 GLU 8 HG2 GLU 8 -10.938 -11.617 -3.180 77 H PHE 9 H PHE 9 -8.498 -9.169 -4.969 78 HA PHE 9 HA PHE 9 -7.338 -8.280 -3.366 79 HB2 PHE 9 HB3 PHE 9 -8.107 -6.292 -2.308 80 HB3 PHE 9 HB2 PHE 9 -8.634 -6.315 -3.997 81 HD1 PHE 9 HD2 PHE 9 -9.806 -6.940 -0.574 82 HD2 PHE 9 HD1 PHE 9 -10.868 -6.074 -4.514 83 HE1 PHE 9 HE2 PHE 9 -12.082 -6.566 0.120 84 HE2 PHE 9 HE1 PHE 9 -13.145 -5.702 -3.822 85 HZ PHE 9 HZ PHE 9 -13.754 -5.950 -1.502 86 H SER 10 H SER 10 -6.580 -9.031 -1.497 87 HA SER 10 HA SER 10 -8.623 -10.063 0.330 88 HB2 SER 10 HB3 SER 10 -7.269 -11.820 -0.816 89 HB3 SER 10 HB2 SER 10 -5.793 -11.102 -0.121 90 HG SER 10 HG SER 10 -6.621 -12.827 1.087 91 H GLU 11 H GLU 11 -7.301 -10.435 2.605 92 HA GLU 11 HA GLU 11 -7.120 -7.961 3.677 93 HB2 GLU 11 HB3 GLU 11 -7.351 -9.999 4.987 94 HB3 GLU 11 HB2 GLU 11 -5.710 -10.516 4.530 95 HG2 GLU 11 HG3 GLU 11 -5.768 -9.445 6.787 96 HG3 GLU 11 HG2 GLU 11 -4.753 -8.533 5.647 97 H GLU 12 H GLU 12 -4.183 -9.931 2.735 98 HA GLU 12 HA GLU 12 -2.633 -7.730 3.543 99 HB2 GLU 12 HB3 GLU 12 -0.714 -8.951 2.656 100 HB3 GLU 12 HB2 GLU 12 -1.728 -9.954 3.709 101 HG2 GLU 12 HG2 GLU 12 -2.807 -10.926 1.640 102 HG3 GLU 12 HG3 GLU 12 -1.625 -10.006 0.670 103 H GLN 13 H GLN 13 -4.571 -7.862 0.803 104 HA GLN 13 HA GLN 13 -2.552 -6.234 -0.543 105 HB2 GLN 13 HB3 GLN 13 -5.121 -7.473 -1.602 106 HB3 GLN 13 HB2 GLN 13 -4.021 -6.443 -2.547 107 HG2 GLN 13 HG3 GLN 13 -3.123 -9.010 -1.159 108 HG3 GLN 13 HG2 GLN 13 -3.685 -8.948 -2.846 109 HE21 GLN 13 HE21 GLN 13 -1.370 -7.166 -0.706 110 HE22 GLN 13 HE22 GLN 13 -0.182 -7.066 -1.888 111 H LYS 14 H LYS 14 -5.100 -6.033 1.619 112 HA LYS 14 HA LYS 14 -6.260 -3.673 0.510 113 HB2 LYS 14 HB3 LYS 14 -6.347 -4.913 3.295 114 HB3 LYS 14 HB2 LYS 14 -7.241 -3.452 2.823 115 HG2 LYS 14 HG3 LYS 14 -8.468 -4.700 1.111 116 HG3 LYS 14 HG2 LYS 14 -7.539 -6.170 1.480 117 HD2 LYS 14 HD3 LYS 14 -8.410 -6.164 3.788 118 HD3 LYS 14 HD2 LYS 14 -9.323 -4.677 3.450 119 HE2 LYS 14 HE3 LYS 14 -10.618 -5.860 1.705 120 HE3 LYS 14 HE2 LYS 14 -9.685 -7.345 2.013 121 HZ1 LYS 14 HZ1 LYS 14 -11.371 -5.923 3.960 122 HZ2 LYS 14 HZ2 LYS 14 -11.763 -7.346 3.181 123 HZ3 LYS 14 HZ3 LYS 14 -10.491 -7.309 4.262 124 H LYS 15 H LYS 15 -3.191 -4.285 1.969 125 HA LYS 15 HA LYS 15 -3.270 -1.746 3.346 126 HB2 LYS 15 HB3 LYS 15 -1.074 -3.806 2.873 127 HB3 LYS 15 HB2 LYS 15 -0.775 -2.212 3.599 128 HG2 LYS 15 HG3 LYS 15 -1.191 -3.285 5.546 129 HG3 LYS 15 HG2 LYS 15 -2.896 -3.018 5.109 130 HD2 LYS 15 HD3 LYS 15 -2.425 -5.383 5.761 131 HD3 LYS 15 HD2 LYS 15 -2.960 -5.279 4.062 132 HE2 LYS 15 HE3 LYS 15 -0.857 -5.795 3.241 133 HE3 LYS 15 HE2 LYS 15 -0.040 -4.958 4.575 134 HZ1 LYS 15 HZ1 LYS 15 -0.498 -6.750 6.000 135 HZ2 LYS 15 HZ2 LYS 15 -1.396 -7.549 4.844 136 HZ3 LYS 15 HZ3 LYS 15 0.248 -7.347 4.625 137 H ALA 16 H ALA 16 -3.143 -2.596 0.115 138 HA ALA 16 HA ALA 16 -1.167 -0.544 -0.475 139 HB1 ALA 16 HB1 ALA 16 -2.982 -2.237 -2.263 140 HB2 ALA 16 HB2 ALA 16 -1.737 -1.100 -2.834 141 HB3 ALA 16 HB3 ALA 16 -1.263 -2.558 -1.931 142 H LEU 17 H LEU 17 -4.688 -1.287 -0.723 143 HA LEU 17 HA LEU 17 -5.166 1.371 -1.622 144 HB2 LEU 17 HB3 LEU 17 -6.944 -0.890 -0.652 145 HB3 LEU 17 HB2 LEU 17 -7.587 0.740 -0.965 146 HG LEU 17 HG LEU 17 -6.663 0.660 -3.271 147 HD11 LEU 17 HD11 LEU 17 -5.837 -1.516 -4.133 148 HD12 LEU 17 HD12 LEU 17 -4.797 -0.891 -2.833 149 HD13 LEU 17 HD13 LEU 17 -5.951 -2.204 -2.495 150 HD21 LEU 17 HD21 LEU 17 -8.402 -1.742 -2.559 151 HD22 LEU 17 HD22 LEU 17 -8.995 -0.084 -2.825 152 HD23 LEU 17 HD23 LEU 17 -8.255 -0.994 -4.165 153 H ASP 18 H ASP 18 -4.519 -0.011 1.521 154 HA ASP 18 HA ASP 18 -6.098 1.863 2.947 155 HB2 ASP 18 HB3 ASP 18 -5.176 -0.216 3.971 156 HB3 ASP 18 HB2 ASP 18 -3.530 0.419 3.737 157 H LEU 19 H LEU 19 -2.664 1.749 1.849 158 HA LEU 19 HA LEU 19 -2.211 4.341 2.960 159 HB2 LEU 19 HB3 LEU 19 -0.661 2.378 1.256 160 HB3 LEU 19 HB2 LEU 19 -0.091 4.053 1.425 161 HG LEU 19 HG LEU 19 0.036 3.845 3.839 162 HD11 LEU 19 HD11 LEU 19 -0.467 1.698 4.970 163 HD12 LEU 19 HD12 LEU 19 -1.915 2.376 4.192 164 HD13 LEU 19 HD13 LEU 19 -1.046 1.025 3.428 165 HD21 LEU 19 HD21 LEU 19 1.788 2.126 3.996 166 HD22 LEU 19 HD22 LEU 19 1.215 1.383 2.485 167 HD23 LEU 19 HD23 LEU 19 1.937 3.011 2.459 168 H ALA 20 H ALA 20 -3.799 3.272 0.110 169 HA ALA 20 HA ALA 20 -2.849 5.219 -1.663 170 HB1 ALA 20 HB1 ALA 20 -5.587 3.895 -1.442 171 HB2 ALA 20 HB2 ALA 20 -4.961 4.763 -2.863 172 HB3 ALA 20 HB3 ALA 20 -4.192 3.247 -2.337 173 H PHE 21 H PHE 21 -5.433 5.281 0.835 174 HA PHE 21 HA PHE 21 -6.751 7.508 0.018 175 HB2 PHE 21 HB3 PHE 21 -6.087 6.481 2.799 176 HB3 PHE 21 HB2 PHE 21 -7.158 7.869 2.491 177 HD1 PHE 21 HD1 PHE 21 -6.671 4.399 1.362 178 HD2 PHE 21 HD2 PHE 21 -9.358 7.484 2.153 179 HE1 PHE 21 HE1 PHE 21 -8.513 2.922 0.852 180 HE2 PHE 21 HE2 PHE 21 -11.191 6.007 1.662 181 HZ PHE 21 HZ PHE 21 -10.777 3.730 1.004 182 H TYR 22 H TYR 22 -6.622 9.600 0.237 183 HA TYR 22 HA TYR 22 -5.911 11.655 0.594 184 HB2 TYR 22 HB3 TYR 22 -4.205 10.347 2.744 185 HB3 TYR 22 HB2 TYR 22 -4.457 12.094 2.545 186 HD1 TYR 22 HD2 TYR 22 -7.002 12.731 2.282 187 HD2 TYR 22 HD1 TYR 22 -5.627 9.262 4.153 188 HE1 TYR 22 HE2 TYR 22 -9.091 12.542 3.468 189 HE2 TYR 22 HE1 TYR 22 -7.719 9.069 5.335 190 HH TYR 22 HH TYR 22 -10.440 11.353 5.018 191 H PHE 23 H PHE 23 -4.740 12.744 -0.751 192 HA PHE 23 HA PHE 23 -3.040 13.551 -1.910 193 HB2 PHE 23 HB3 PHE 23 -1.367 11.891 0.011 194 HB3 PHE 23 HB2 PHE 23 -0.721 13.050 -1.164 195 HD1 PHE 23 HD1 PHE 23 -1.758 15.399 -1.061 196 HD2 PHE 23 HD2 PHE 23 -1.912 12.669 2.093 197 HE1 PHE 23 HE1 PHE 23 -2.097 17.212 0.491 198 HE2 PHE 23 HE2 PHE 23 -2.256 14.480 3.646 199 HZ PHE 23 HZ PHE 23 -2.347 16.751 2.843 200 H ASP 24 H ASP 24 -1.868 10.190 -1.271 201 HA ASP 24 HA ASP 24 -0.918 9.974 -3.902 202 HB2 ASP 24 HB3 ASP 24 -0.197 8.686 -1.838 203 HB3 ASP 24 HB2 ASP 24 -1.722 7.778 -1.945 204 H ARG 25 H ARG 25 -3.830 8.807 -2.236 205 HA ARG 25 HA ARG 25 -5.718 7.879 -2.987 206 HB2 ARG 25 HB3 ARG 25 -7.075 9.535 -4.051 207 HB3 ARG 25 HB2 ARG 25 -6.011 10.316 -2.865 208 HG2 ARG 25 HG3 ARG 25 -4.475 10.976 -4.731 209 HG3 ARG 25 HG2 ARG 25 -5.622 10.261 -5.889 210 HD2 ARG 25 HD3 ARG 25 -6.253 12.479 -3.887 211 HD3 ARG 25 HD2 ARG 25 -5.967 12.718 -5.627 212 HE ARG 25 HE ARG 25 -7.940 10.876 -5.523 213 HH11 ARG 25 HH11 ARG 25 -7.359 14.021 -4.162 214 HH12 ARG 25 HH12 ARG 25 -8.971 14.497 -4.168 215 HH21 ARG 25 HH21 ARG 25 -10.171 11.522 -5.526 216 HH22 ARG 25 HH22 ARG 25 -10.606 13.043 -4.960 217 H ARG 26 H ARG 26 -4.558 6.062 -4.229 218 HA ARG 26 HA ARG 26 -4.497 6.321 -7.052 219 HB2 ARG 26 HB3 ARG 26 -4.623 3.870 -5.246 220 HB3 ARG 26 HB2 ARG 26 -4.185 3.861 -6.972 221 HG2 ARG 26 HG3 ARG 26 -2.715 5.504 -4.876 222 HG3 ARG 26 HG2 ARG 26 -2.219 3.860 -5.337 223 HD2 ARG 26 HD3 ARG 26 -1.772 4.529 -7.604 224 HD3 ARG 26 HD2 ARG 26 -2.559 6.105 -7.353 225 HE ARG 26 HE ARG 26 -0.570 5.898 -5.477 226 HH11 ARG 26 HH11 ARG 26 -0.858 5.901 -8.954 227 HH12 ARG 26 HH12 ARG 26 0.588 6.714 -9.217 228 HH21 ARG 26 HH21 ARG 26 1.377 7.058 -5.848 229 HH22 ARG 26 HH22 ARG 26 1.908 7.349 -7.417 230 H LEU 27 H LEU 27 -6.949 7.292 -6.866 231 HA LEU 27 HA LEU 27 -8.649 4.973 -7.386 232 HB2 LEU 27 HB3 LEU 27 -8.949 6.017 -5.062 233 HB3 LEU 27 HB2 LEU 27 -9.568 7.462 -5.894 234 HG LEU 27 HG LEU 27 -11.322 5.758 -5.127 235 HD11 LEU 27 HD11 LEU 27 -11.199 6.273 -8.124 236 HD12 LEU 27 HD12 LEU 27 -12.657 5.946 -7.163 237 HD13 LEU 27 HD13 LEU 27 -11.749 7.456 -6.912 238 HD21 LEU 27 HD21 LEU 27 -11.570 3.745 -6.564 239 HD22 LEU 27 HD22 LEU 27 -10.081 4.190 -7.432 240 HD23 LEU 27 HD23 LEU 27 -10.006 3.741 -5.712 241 H THR 28 H THR 28 -7.141 7.507 -8.720 242 HA THR 28 HA THR 28 -9.451 8.541 -10.150 243 HB THR 28 HB THR 28 -6.470 9.236 -10.215 244 HG1 THR 28 HG1 THR 28 -8.716 10.420 -8.974 245 HG21 THR 28 HG21 THR 28 -7.636 9.970 -12.279 246 HG22 THR 28 HG22 THR 28 -8.906 10.729 -11.286 247 HG23 THR 28 HG23 THR 28 -7.246 11.367 -11.248 248 HA PRO 29 HA PRO 29 -9.138 5.437 -13.160 249 HB2 PRO 29 HB3 PRO 29 -8.780 7.687 -15.146 250 HB3 PRO 29 HB2 PRO 29 -9.745 6.184 -15.320 251 HG2 PRO 29 HG3 PRO 29 -10.985 8.445 -14.567 252 HG3 PRO 29 HG2 PRO 29 -11.336 6.923 -13.686 253 HD2 PRO 29 HD3 PRO 29 -9.586 9.229 -12.840 254 HD3 PRO 29 HD2 PRO 29 -10.659 8.190 -11.844 255 H GLU 30 H GLU 30 -6.548 7.906 -13.849 256 HA GLU 30 HA GLU 30 -5.150 5.693 -15.051 257 HB2 GLU 30 HB3 GLU 30 -4.980 8.015 -15.961 258 HB3 GLU 30 HB2 GLU 30 -4.178 8.520 -14.454 259 HG2 GLU 30 HG3 GLU 30 -2.376 6.884 -14.848 260 HG3 GLU 30 HG2 GLU 30 -3.198 6.304 -16.316 261 H TRP 31 H TRP 31 -5.678 6.664 -11.917 262 HA TRP 31 HA TRP 31 -3.052 5.791 -11.034 263 HB2 TRP 31 HB3 TRP 31 -5.422 7.095 -9.598 264 HB3 TRP 31 HB2 TRP 31 -3.863 6.686 -8.846 265 HD1 TRP 31 HD1 TRP 31 -4.856 8.688 -12.045 266 HE1 TRP 31 HE1 TRP 31 -3.468 10.768 -12.120 267 HE3 TRP 31 HE3 TRP 31 -2.332 7.981 -7.823 268 HZ2 TRP 31 HZ2 TRP 31 -1.522 11.929 -10.544 269 HZ3 TRP 31 HZ3 TRP 31 -0.715 9.643 -7.124 270 HH2 TRP 31 HH2 TRP 31 -0.308 11.590 -8.473 271 H ARG 32 H ARG 32 -6.366 4.824 -11.484 272 HA ARG 32 HA ARG 32 -6.400 2.764 -9.526 273 HB2 ARG 32 HB3 ARG 32 -7.860 3.149 -12.180 274 HB3 ARG 32 HB2 ARG 32 -8.196 1.830 -11.040 275 HG2 ARG 32 HG3 ARG 32 -8.926 3.399 -9.334 276 HG3 ARG 32 HG2 ARG 32 -8.412 4.778 -10.333 277 HD2 ARG 32 HD3 ARG 32 -10.002 3.904 -12.137 278 HD3 ARG 32 HD2 ARG 32 -10.664 2.810 -10.901 279 HE ARG 32 HE ARG 32 -10.659 5.322 -9.800 280 HH11 ARG 32 HH11 ARG 32 -11.997 3.732 -12.602 281 HH12 ARG 32 HH12 ARG 32 -13.362 4.709 -12.679 282 HH21 ARG 32 HH21 ARG 32 -12.529 6.639 -9.905 283 HH22 ARG 32 HH22 ARG 32 -13.675 6.395 -11.111 284 H ARG 33 H ARG 33 -5.683 2.941 -13.073 285 HA ARG 33 HA ARG 33 -5.093 0.197 -13.182 286 HB2 ARG 33 HB3 ARG 33 -4.117 0.722 -15.371 287 HB3 ARG 33 HB2 ARG 33 -5.661 1.584 -15.173 288 HG2 ARG 33 HG3 ARG 33 -4.425 3.625 -14.485 289 HG3 ARG 33 HG2 ARG 33 -2.884 2.760 -14.701 290 HD2 ARG 33 HD3 ARG 33 -3.374 4.112 -16.696 291 HD3 ARG 33 HD2 ARG 33 -3.449 2.380 -17.094 292 HE ARG 33 HE ARG 33 -5.984 3.324 -16.340 293 HH11 ARG 33 HH11 ARG 33 -3.577 3.464 -18.848 294 HH12 ARG 33 HH12 ARG 33 -4.669 3.720 -20.099 295 HH21 ARG 33 HH21 ARG 33 -7.497 3.673 -18.073 296 HH22 ARG 33 HH22 ARG 33 -6.941 3.841 -19.650 297 H TYR 34 H TYR 34 -3.255 2.953 -12.032 298 HA TYR 34 HA TYR 34 -0.695 1.863 -12.447 299 HB2 TYR 34 HB3 TYR 34 -1.023 4.231 -11.787 300 HB3 TYR 34 HB2 TYR 34 -1.792 3.696 -10.271 301 HD1 TYR 34 HD2 TYR 34 1.369 3.512 -12.158 302 HD2 TYR 34 HD1 TYR 34 -0.528 3.077 -8.465 303 HE1 TYR 34 HE2 TYR 34 3.514 3.276 -11.081 304 HE2 TYR 34 HE1 TYR 34 1.613 2.822 -7.392 305 HH TYR 34 HH TYR 34 3.951 2.677 -7.589 306 H LEU 35 H LEU 35 -3.047 1.726 -9.747 307 HA LEU 35 HA LEU 35 -1.290 0.201 -8.125 308 HB2 LEU 35 HB3 LEU 35 -3.597 1.704 -7.802 309 HB3 LEU 35 HB2 LEU 35 -4.222 0.044 -7.684 310 HG LEU 35 HG LEU 35 -2.034 1.345 -6.013 311 HD11 LEU 35 HD11 LEU 35 -4.394 1.791 -5.367 312 HD12 LEU 35 HD12 LEU 35 -4.705 0.041 -5.324 313 HD13 LEU 35 HD13 LEU 35 -3.577 0.772 -4.158 314 HD21 LEU 35 HD21 LEU 35 -1.772 -0.824 -4.892 315 HD22 LEU 35 HD22 LEU 35 -2.959 -1.552 -6.000 316 HD23 LEU 35 HD23 LEU 35 -1.391 -0.983 -6.623 317 H SER 36 H SER 36 -4.308 -0.530 -9.930 318 HA SER 36 HA SER 36 -4.559 -3.173 -9.440 319 HB2 SER 36 HB3 SER 36 -4.999 -1.569 -11.990 320 HB3 SER 36 HB2 SER 36 -5.593 -3.227 -11.752 321 HG SER 36 HG SER 36 -6.705 -2.520 -9.944 322 H GLN 37 H GLN 37 -2.479 -1.698 -11.996 323 HA GLN 37 HA GLN 37 -1.899 -3.931 -13.396 324 HB2 GLN 37 HB3 GLN 37 -1.121 -1.658 -13.959 325 HB3 GLN 37 HB2 GLN 37 0.010 -1.703 -12.584 326 HG2 GLN 37 HG3 GLN 37 1.124 -3.692 -13.581 327 HG3 GLN 37 HG2 GLN 37 -0.001 -3.618 -14.958 328 HE21 GLN 37 HE21 GLN 37 0.833 -2.548 -16.726 329 HE22 GLN 37 HE22 GLN 37 1.977 -1.321 -16.633 330 H ARG 38 H ARG 38 -0.272 -2.948 -10.291 331 HA ARG 38 HA ARG 38 1.037 -5.548 -10.575 332 HB2 ARG 38 HB3 ARG 38 2.758 -4.666 -9.048 333 HB3 ARG 38 HB2 ARG 38 2.598 -3.646 -10.496 334 HG2 ARG 38 HG3 ARG 38 1.169 -2.064 -9.227 335 HG3 ARG 38 HG2 ARG 38 1.321 -3.096 -7.783 336 HD2 ARG 38 HD3 ARG 38 3.578 -1.666 -9.254 337 HD3 ARG 38 HD2 ARG 38 2.972 -1.298 -7.620 338 HE ARG 38 HE ARG 38 3.709 -3.965 -7.676 339 HH11 ARG 38 HH11 ARG 38 5.101 -0.797 -8.043 340 HH12 ARG 38 HH12 ARG 38 6.619 -1.228 -7.467 341 HH21 ARG 38 HH21 ARG 38 5.811 -4.567 -6.884 342 HH22 ARG 38 HH22 ARG 38 7.030 -3.416 -6.808 343 H LEU 39 H LEU 39 -1.520 -4.074 -8.976 344 HA LEU 39 HA LEU 39 -1.078 -5.277 -6.432 345 HB2 LEU 39 HB3 LEU 39 -2.528 -3.288 -6.788 346 HB3 LEU 39 HB2 LEU 39 -3.639 -4.286 -7.751 347 HG LEU 39 HG LEU 39 -4.011 -5.758 -5.786 348 HD11 LEU 39 HD11 LEU 39 -2.110 -3.786 -4.441 349 HD12 LEU 39 HD12 LEU 39 -3.121 -4.955 -3.560 350 HD13 LEU 39 HD13 LEU 39 -1.858 -5.535 -4.670 351 HD21 LEU 39 HD21 LEU 39 -5.277 -4.151 -4.433 352 HD22 LEU 39 HD22 LEU 39 -4.302 -2.806 -5.071 353 HD23 LEU 39 HD23 LEU 39 -5.404 -3.691 -6.148 354 H GLY 40 H GLY 40 -3.186 -6.008 -9.283 355 HA2 GLY 40 HA3 GLY 40 -2.838 -8.375 -9.925 356 HA3 GLY 40 HA2 GLY 40 -3.215 -8.746 -8.231 357 H LEU 41 H LEU 41 -5.308 -6.267 -8.691 358 HA LEU 41 HA LEU 41 -7.118 -8.012 -10.170 359 HB2 LEU 41 HB3 LEU 41 -8.959 -7.094 -8.678 360 HB3 LEU 41 HB2 LEU 41 -7.872 -8.300 -7.964 361 HG LEU 41 HG LEU 41 -8.455 -6.221 -6.548 362 HD11 LEU 41 HD11 LEU 41 -5.524 -6.893 -7.039 363 HD12 LEU 41 HD12 LEU 41 -6.226 -6.221 -5.550 364 HD13 LEU 41 HD13 LEU 41 -6.644 -7.872 -6.062 365 HD21 LEU 41 HD21 LEU 41 -8.041 -4.610 -8.435 366 HD22 LEU 41 HD22 LEU 41 -7.110 -4.236 -6.970 367 HD23 LEU 41 HD23 LEU 41 -6.312 -5.019 -8.357 368 H ASN 42 H ASN 42 -9.154 -6.611 -10.872 369 HA ASN 42 HA ASN 42 -7.945 -4.677 -12.539 370 HB2 ASN 42 HB3 ASN 42 -10.809 -5.587 -12.090 371 HB3 ASN 42 HB2 ASN 42 -10.354 -4.377 -13.312 372 HD21 ASN 42 HD21 ASN 42 -10.257 -5.349 -15.315 373 HD22 ASN 42 HD22 ASN 42 -9.582 -6.863 -15.592 374 H GLU 43 H GLU 43 -9.269 -2.594 -12.955 375 HA GLU 43 HA GLU 43 -8.886 -0.930 -10.748 376 HB2 GLU 43 HB3 GLU 43 -10.501 -0.582 -13.316 377 HB3 GLU 43 HB2 GLU 43 -10.073 0.734 -12.195 378 HG2 GLU 43 HG3 GLU 43 -7.675 0.285 -12.551 379 HG3 GLU 43 HG2 GLU 43 -8.074 -1.070 -13.632 380 H GLU 44 H GLU 44 -11.703 -2.718 -11.964 381 HA GLU 44 HA GLU 44 -13.661 -1.354 -10.547 382 HB2 GLU 44 HB3 GLU 44 -14.108 -3.068 -12.277 383 HB3 GLU 44 HB2 GLU 44 -13.410 -4.321 -11.222 384 HG2 GLU 44 HG3 GLU 44 -15.136 -3.885 -9.523 385 HG3 GLU 44 HG2 GLU 44 -15.803 -2.565 -10.513 386 H GLN 45 H GLN 45 -11.394 -3.974 -9.525 387 HA GLN 45 HA GLN 45 -12.792 -4.228 -7.063 388 HB2 GLN 45 HB3 GLN 45 -10.024 -5.145 -7.944 389 HB3 GLN 45 HB2 GLN 45 -10.855 -5.671 -6.463 390 HG2 GLN 45 HG3 GLN 45 -11.878 -6.056 -9.311 391 HG3 GLN 45 HG2 GLN 45 -11.140 -7.322 -8.301 392 HE21 GLN 45 HE21 GLN 45 -12.285 -7.319 -5.928 393 HE22 GLN 45 HE22 GLN 45 -13.962 -7.335 -6.026 394 H ILE 46 H ILE 46 -10.555 -1.895 -8.290 395 HA ILE 46 HA ILE 46 -9.423 -1.321 -5.715 396 HB ILE 46 HB ILE 46 -9.622 0.367 -8.257 397 HG12 ILE 46 HG13 ILE 46 -8.305 -1.730 -8.575 398 HG13 ILE 46 HG12 ILE 46 -7.286 -0.273 -8.651 399 HG21 ILE 46 HG21 ILE 46 -7.840 1.711 -7.215 400 HG22 ILE 46 HG22 ILE 46 -9.277 1.665 -6.165 401 HG23 ILE 46 HG23 ILE 46 -7.863 0.654 -5.784 402 HD11 ILE 46 HD11 ILE 46 -6.640 -0.602 -6.281 403 HD12 ILE 46 HD12 ILE 46 -7.645 -2.070 -6.214 404 HD13 ILE 46 HD13 ILE 46 -6.216 -2.017 -7.274 405 H GLU 47 H GLU 47 -11.966 -0.090 -7.907 406 HA GLU 47 HA GLU 47 -12.783 2.013 -6.262 407 HB2 GLU 47 HB3 GLU 47 -14.258 0.292 -8.307 408 HB3 GLU 47 HB2 GLU 47 -14.890 1.805 -7.617 409 HG2 GLU 47 HG3 GLU 47 -12.974 3.053 -8.515 410 HG3 GLU 47 HG2 GLU 47 -12.267 1.550 -9.154 411 H ARG 48 H ARG 48 -13.678 -1.475 -6.309 412 HA ARG 48 HA ARG 48 -15.907 -1.050 -4.628 413 HB2 ARG 48 HB3 ARG 48 -14.373 -3.335 -5.753 414 HB3 ARG 48 HB2 ARG 48 -15.167 -3.643 -4.191 415 HG2 ARG 48 HG3 ARG 48 -16.671 -4.197 -6.064 416 HG3 ARG 48 HG2 ARG 48 -17.315 -2.864 -5.082 417 HD2 ARG 48 HD3 ARG 48 -16.500 -1.227 -6.739 418 HD3 ARG 48 HD2 ARG 48 -15.812 -2.549 -7.715 419 HE ARG 48 HE ARG 48 -18.462 -3.151 -7.293 420 HH11 ARG 48 HH11 ARG 48 -16.516 -0.673 -8.775 421 HH12 ARG 48 HH12 ARG 48 -17.630 -0.307 -9.979 422 HH21 ARG 48 HH21 ARG 48 -19.992 -2.647 -8.952 423 HH22 ARG 48 HH22 ARG 48 -19.647 -1.452 -10.082 424 H TRP 49 H TRP 49 -12.481 -2.130 -3.857 425 HA TRP 49 HA TRP 49 -13.318 -2.337 -1.147 426 HB2 TRP 49 HB3 TRP 49 -11.441 -3.679 -1.920 427 HB3 TRP 49 HB2 TRP 49 -10.526 -2.211 -2.342 428 HD1 TRP 49 HD1 TRP 49 -8.833 -1.710 -0.432 429 HE1 TRP 49 HE1 TRP 49 -8.848 -1.770 2.069 430 HE3 TRP 49 HE3 TRP 49 -13.410 -3.554 0.176 431 HZ2 TRP 49 HZ2 TRP 49 -10.642 -2.484 4.038 432 HZ3 TRP 49 HZ3 TRP 49 -14.250 -3.890 2.428 433 HH2 TRP 49 HH2 TRP 49 -12.883 -3.361 4.332 434 H PHE 50 H PHE 50 -11.588 0.167 -3.037 435 HA PHE 50 HA PHE 50 -10.896 1.784 -0.909 436 HB2 PHE 50 HB3 PHE 50 -10.180 1.964 -3.299 437 HB3 PHE 50 HB2 PHE 50 -11.792 2.576 -3.722 438 HD1 PHE 50 HD1 PHE 50 -12.521 4.720 -2.567 439 HD2 PHE 50 HD2 PHE 50 -8.575 3.360 -2.530 440 HE1 PHE 50 HE1 PHE 50 -11.755 6.945 -2.049 441 HE2 PHE 50 HE2 PHE 50 -7.808 5.587 -2.022 442 HZ PHE 50 HZ PHE 50 -9.400 7.380 -1.778 443 H ARG 51 H ARG 51 -13.882 1.881 -2.948 444 HA ARG 51 HA ARG 51 -15.025 3.988 -1.493 445 HB2 ARG 51 HB3 ARG 51 -15.681 3.443 -3.762 446 HB3 ARG 51 HB2 ARG 51 -16.212 1.821 -3.269 447 HG2 ARG 51 HG3 ARG 51 -17.444 4.089 -1.772 448 HG3 ARG 51 HG2 ARG 51 -17.893 3.946 -3.491 449 HD2 ARG 51 HD3 ARG 51 -18.041 1.676 -1.457 450 HD3 ARG 51 HD2 ARG 51 -19.426 2.612 -2.070 451 HE ARG 51 HE ARG 51 -18.184 1.743 -4.299 452 HH11 ARG 51 HH11 ARG 51 -19.397 0.251 -1.392 453 HH12 ARG 51 HH12 ARG 51 -19.808 -1.199 -2.135 454 HH21 ARG 51 HH21 ARG 51 -18.742 -0.246 -5.309 455 HH22 ARG 51 HH22 ARG 51 -19.428 -1.489 -4.409 456 H ARG 52 H ARG 52 -15.423 0.408 -1.233 457 HA ARG 52 HA ARG 52 -17.465 0.467 0.630 458 HB2 ARG 52 HB3 ARG 52 -16.731 -1.590 -0.477 459 HB3 ARG 52 HB2 ARG 52 -15.119 -1.445 0.266 460 HG2 ARG 52 HG3 ARG 52 -16.480 -3.053 1.533 461 HG3 ARG 52 HG2 ARG 52 -16.167 -1.608 2.522 462 HD2 ARG 52 HD3 ARG 52 -18.409 -0.705 1.849 463 HD3 ARG 52 HD2 ARG 52 -18.705 -2.211 0.946 464 HE ARG 52 HE ARG 52 -18.563 -1.933 3.831 465 HH11 ARG 52 HH11 ARG 52 -18.844 -3.877 0.960 466 HH12 ARG 52 HH12 ARG 52 -19.461 -5.227 1.747 467 HH21 ARG 52 HH21 ARG 52 -19.424 -3.791 4.918 468 HH22 ARG 52 HH22 ARG 52 -19.797 -5.178 4.046 469 H LYS 53 H LYS 53 -13.937 0.701 1.044 470 HA LYS 53 HA LYS 53 -13.860 0.373 3.761 471 HB2 LYS 53 HB3 LYS 53 -12.032 0.318 2.053 472 HB3 LYS 53 HB2 LYS 53 -12.102 2.086 1.960 473 HG2 LYS 53 HG3 LYS 53 -11.344 2.278 4.275 474 HG3 LYS 53 HG2 LYS 53 -11.493 0.508 4.493 475 HD2 LYS 53 HD3 LYS 53 -9.938 0.250 2.494 476 HD3 LYS 53 HD2 LYS 53 -9.612 1.986 2.607 477 HE2 LYS 53 HE3 LYS 53 -9.170 0.031 4.902 478 HE3 LYS 53 HE2 LYS 53 -7.913 0.493 3.730 479 HZ1 LYS 53 HZ1 LYS 53 -8.360 2.802 4.348 480 HZ2 LYS 53 HZ2 LYS 53 -9.328 2.257 5.593 481 HZ3 LYS 53 HZ3 LYS 53 -7.704 1.873 5.563 482 H GLU 54 H GLU 54 -15.229 3.117 2.042 483 HA GLU 54 HA GLU 54 -14.925 4.628 4.537 484 HB2 GLU 54 HB3 GLU 54 -15.655 5.530 1.710 485 HB3 GLU 54 HB2 GLU 54 -15.602 6.580 3.139 486 HG2 GLU 54 HG3 GLU 54 -13.178 5.986 3.419 487 HG3 GLU 54 HG2 GLU 54 -13.265 5.096 1.878 488 H GLN 55 H GLN 55 -17.140 2.614 2.980 489 HA GLN 55 HA GLN 55 -19.334 4.426 3.537 490 HB2 GLN 55 HB3 GLN 55 -19.115 1.782 2.059 491 HB3 GLN 55 HB2 GLN 55 -20.679 2.554 2.422 492 HG2 GLN 55 HG3 GLN 55 -18.456 4.117 1.071 493 HG3 GLN 55 HG2 GLN 55 -19.559 3.081 0.131 494 HE21 GLN 55 HE21 GLN 55 -19.899 5.463 2.852 495 HE22 GLN 55 HE22 GLN 55 -21.242 6.202 2.166 496 H GLN 56 H GLN 56 -17.585 2.153 5.281 497 HA GLN 56 HA GLN 56 -19.901 1.022 6.527 498 HB2 GLN 56 HB3 GLN 56 -17.724 -0.193 6.461 499 HB3 GLN 56 HB2 GLN 56 -16.988 1.107 7.427 500 HG2 GLN 56 HG3 GLN 56 -17.601 -0.686 8.941 501 HG3 GLN 56 HG2 GLN 56 -18.730 0.663 9.209 502 HE21 GLN 56 HE21 GLN 56 -18.646 -2.648 8.899 503 HE22 GLN 56 HE22 GLN 56 -20.187 -2.884 8.273 504 H ILE 57 H ILE 57 -18.244 4.048 6.639 505 HA ILE 57 HA ILE 57 -19.512 4.474 9.238 506 HB ILE 57 HB ILE 57 -17.067 4.311 9.425 507 HG12 ILE 57 HG13 ILE 57 -16.701 6.564 10.473 508 HG13 ILE 57 HG12 ILE 57 -18.226 7.113 9.740 509 HG21 ILE 57 HG21 ILE 57 -16.596 5.103 7.062 510 HG22 ILE 57 HG22 ILE 57 -16.940 6.761 7.620 511 HG23 ILE 57 HG23 ILE 57 -15.596 5.856 8.324 512 HD11 ILE 57 HD11 ILE 57 -18.581 6.364 12.078 513 HD12 ILE 57 HD12 ILE 57 -19.438 5.302 10.935 514 HD13 ILE 57 HD13 ILE 57 -17.907 4.767 11.669 515 H GLY 58 H GLY 58 -18.457 6.181 6.175 516 HA2 GLY 58 HA3 GLY 58 -20.480 7.665 5.612 517 HA3 GLY 58 HA2 GLY 58 -20.124 8.338 7.219 518 H TRP 59 H TRP 59 -17.509 7.201 5.138 519 HA TRP 59 HA TRP 59 -15.848 8.267 4.110 520 HB2 TRP 59 HB3 TRP 59 -17.796 10.601 4.024 521 HB3 TRP 59 HB2 TRP 59 -16.243 10.525 3.185 522 HD1 TRP 59 HD1 TRP 59 -16.074 8.373 1.350 523 HE1 TRP 59 HE1 TRP 59 -17.822 7.605 -0.264 524 HE3 TRP 59 HE3 TRP 59 -20.031 10.338 3.636 525 HZ2 TRP 59 HZ2 TRP 59 -20.554 7.861 -0.520 526 HZ3 TRP 59 HZ3 TRP 59 -22.222 10.054 2.639 527 HH2 TRP 59 HH2 TRP 59 -22.480 8.832 0.586 528 H SER 60 H SER 60 -16.555 8.925 7.283 529 HA SER 60 HA SER 60 -14.609 11.107 7.209 530 HB2 SER 60 HB3 SER 60 -15.416 11.672 9.471 531 HB3 SER 60 HB2 SER 60 -16.761 11.662 8.305 532 HG SER 60 HG SER 60 -15.974 9.561 10.033 533 H HIS 61 H HIS 61 -14.863 7.770 7.876 534 HA HIS 61 HA HIS 61 -12.281 7.971 9.203 535 HB2 HIS 61 HB3 HIS 61 -14.042 7.796 10.995 536 HB3 HIS 61 HB2 HIS 61 -14.598 6.285 10.234 537 HD1 HIS 61 HD1 HIS 61 -13.398 4.256 11.134 538 HD2 HIS 61 HD2 HIS 61 -11.205 7.689 11.543 539 HE1 HIS 61 HE1 HIS 61 -11.288 3.657 12.341 540 HE2 HIS 61 HE2 HIS 61 -9.966 5.768 12.585 541 HA PRO 62 HA PRO 62 -12.869 4.841 5.908 542 HB2 PRO 62 HB3 PRO 62 -9.977 5.533 5.429 543 HB3 PRO 62 HB2 PRO 62 -11.291 5.307 4.232 544 HG2 PRO 62 HG3 PRO 62 -10.461 7.802 4.848 545 HG3 PRO 62 HG2 PRO 62 -12.222 7.464 4.738 546 HD2 PRO 62 HD3 PRO 62 -10.484 7.552 7.230 547 HD3 PRO 62 HD2 PRO 62 -12.070 8.339 6.950 548 H GLN 63 H GLN 63 -12.529 3.688 8.289 549 HA GLN 63 HA GLN 63 -11.484 2.052 9.452 550 HB2 GLN 63 HB3 GLN 63 -11.364 1.166 6.546 551 HB3 GLN 63 HB2 GLN 63 -11.160 0.095 7.950 552 HG2 GLN 63 HG3 GLN 63 -13.416 0.766 8.773 553 HG3 GLN 63 HG2 GLN 63 -13.623 1.775 7.322 554 HE21 GLN 63 HE21 GLN 63 -11.781 -0.922 6.428 555 HE22 GLN 63 HE22 GLN 63 -13.051 -1.868 5.871 556 H PHE 64 H PHE 64 -9.423 3.484 9.921 557 HA PHE 64 HA PHE 64 -7.229 2.924 8.216 558 HB2 PHE 64 HB3 PHE 64 -7.436 4.052 11.034 559 HB3 PHE 64 HB2 PHE 64 -5.913 3.939 10.117 560 HD1 PHE 64 HD2 PHE 64 -6.193 4.814 7.625 561 HD2 PHE 64 HD1 PHE 64 -8.562 6.022 10.841 562 HE1 PHE 64 HE2 PHE 64 -6.751 6.844 6.451 563 HE2 PHE 64 HE1 PHE 64 -9.123 8.051 9.668 564 HZ PHE 64 HZ PHE 64 -8.209 8.466 7.477 565 H GLU 65 H GLU 65 -8.838 0.873 10.433 566 HA GLU 65 HA GLU 65 -6.292 -0.553 10.709 567 HB2 GLU 65 HB3 GLU 65 -8.720 -0.549 12.560 568 HB3 GLU 65 HB2 GLU 65 -7.244 -1.516 12.785 569 HG2 GLU 65 HG3 GLU 65 -5.907 0.579 12.917 570 HG3 GLU 65 HG2 GLU 65 -7.401 1.531 12.728 571 H LYS 66 H LYS 66 -9.296 -0.559 9.125 572 HA LYS 66 HA LYS 66 -9.186 -3.489 9.126 573 HB2 LYS 66 HB3 LYS 66 -11.598 -1.636 8.874 574 HB3 LYS 66 HB2 LYS 66 -11.615 -3.366 8.476 575 HG2 LYS 66 HG3 LYS 66 -12.354 -3.409 10.673 576 HG3 LYS 66 HG2 LYS 66 -10.608 -3.666 10.891 577 HD2 LYS 66 HD3 LYS 66 -10.332 -1.230 11.343 578 HD3 LYS 66 HD2 LYS 66 -12.076 -0.993 11.099 579 HE2 LYS 66 HE3 LYS 66 -12.572 -2.494 12.985 580 HE3 LYS 66 HE2 LYS 66 -10.836 -2.814 13.209 581 HZ1 LYS 66 HZ1 LYS 66 -11.643 -1.142 14.709 582 HZ2 LYS 66 HZ2 LYS 66 -10.513 -0.502 13.662 583 HZ3 LYS 66 HZ3 LYS 66 -12.136 -0.185 13.433 584 H1 MET 1 H1 MET 1 8.312 -16.239 -4.875 585 H2 MET 1 H2 MET 1 9.979 -16.265 -4.812 586 H3 MET 1 H3 MET 1 9.198 -15.127 -5.750 587 HA MET 1 HA MET 1 9.083 -15.319 -2.816 588 HB2 MET 1 HB3 MET 1 11.277 -14.566 -3.765 589 HB3 MET 1 HB2 MET 1 10.418 -13.284 -4.652 590 HG2 MET 1 HG3 MET 1 11.300 -12.320 -2.607 591 HG3 MET 1 HG2 MET 1 9.534 -12.451 -2.427 592 HE1 MET 1 HE1 MET 1 11.392 -11.886 -0.221 593 HE2 MET 1 HE2 MET 1 9.630 -12.102 -0.102 594 HE3 MET 1 HE3 MET 1 10.704 -12.901 1.069 595 H GLU 2 H GLU 2 6.646 -15.383 -3.733 596 HA GLU 2 HA GLU 2 5.880 -12.570 -3.869 597 HB2 GLU 2 HB3 GLU 2 3.803 -13.672 -5.125 598 HB3 GLU 2 HB2 GLU 2 5.293 -13.206 -5.975 599 HG2 GLU 2 HG3 GLU 2 4.854 -15.376 -6.758 600 HG3 GLU 2 HG2 GLU 2 6.122 -15.606 -5.536 601 H LYS 3 H LYS 3 5.788 -15.349 -1.957 602 HA LYS 3 HA LYS 3 3.276 -14.388 -0.781 603 HB2 LYS 3 HB3 LYS 3 4.770 -17.036 -0.536 604 HB3 LYS 3 HB2 LYS 3 3.372 -16.602 0.468 605 HG2 LYS 3 HG3 LYS 3 3.178 -16.560 -2.559 606 HG3 LYS 3 HG2 LYS 3 2.988 -18.067 -1.635 607 HD2 LYS 3 HD3 LYS 3 0.783 -17.286 -1.805 608 HD3 LYS 3 HD2 LYS 3 1.293 -16.743 -0.191 609 HE2 LYS 3 HE3 LYS 3 0.197 -14.873 -1.240 610 HE3 LYS 3 HE2 LYS 3 1.938 -14.519 -1.295 611 HZ1 LYS 3 HZ1 LYS 3 0.923 -14.111 -3.390 612 HZ2 LYS 3 HZ2 LYS 3 1.949 -15.418 -3.536 613 HZ3 LYS 3 HZ3 LYS 3 0.300 -15.658 -3.460 614 H ARG 4 H ARG 4 3.667 -13.108 1.024 615 HA ARG 4 HA ARG 4 6.178 -12.612 1.981 616 HB2 ARG 4 HB3 ARG 4 4.172 -11.227 2.378 617 HB3 ARG 4 HB2 ARG 4 3.545 -12.455 3.503 618 HG2 ARG 4 HG3 ARG 4 6.330 -11.323 3.879 619 HG3 ARG 4 HG2 ARG 4 4.914 -10.397 4.430 620 HD2 ARG 4 HD3 ARG 4 5.493 -13.282 5.241 621 HD3 ARG 4 HD2 ARG 4 5.861 -11.843 6.221 622 HE ARG 4 HE ARG 4 3.386 -11.393 5.968 623 HH11 ARG 4 HH11 ARG 4 4.872 -14.554 6.082 624 HH12 ARG 4 HH12 ARG 4 3.517 -15.320 6.710 625 HH21 ARG 4 HH21 ARG 4 1.543 -12.469 6.854 626 HH22 ARG 4 HH22 ARG 4 1.603 -14.117 7.173 627 HA PRO 5 HA PRO 5 6.442 -16.464 4.127 628 HB2 PRO 5 HB3 PRO 5 9.142 -16.736 4.086 629 HB3 PRO 5 HB2 PRO 5 8.181 -16.810 2.577 630 HG2 PRO 5 HG3 PRO 5 9.777 -14.477 3.666 631 HG3 PRO 5 HG2 PRO 5 9.670 -15.078 1.987 632 HD2 PRO 5 HD3 PRO 5 8.154 -12.960 3.074 633 HD3 PRO 5 HD2 PRO 5 7.723 -13.891 1.605 634 H ARG 6 H ARG 6 9.515 -15.258 5.253 635 HA ARG 6 HA ARG 6 8.267 -15.231 7.871 636 HB2 ARG 6 HB3 ARG 6 11.175 -15.451 6.990 637 HB3 ARG 6 HB2 ARG 6 10.596 -15.510 8.675 638 HG2 ARG 6 HG3 ARG 6 9.161 -17.458 8.103 639 HG3 ARG 6 HG2 ARG 6 9.772 -17.411 6.434 640 HD2 ARG 6 HD3 ARG 6 12.075 -17.807 7.271 641 HD3 ARG 6 HD2 ARG 6 11.453 -17.877 8.939 642 HE ARG 6 HE ARG 6 9.995 -19.671 7.433 643 HH11 ARG 6 HH11 ARG 6 13.275 -19.097 8.449 644 HH12 ARG 6 HH12 ARG 6 13.709 -20.720 8.483 645 HH21 ARG 6 HH21 ARG 6 10.594 -21.904 7.475 646 HH22 ARG 6 HH22 ARG 6 12.153 -22.350 7.916 647 H THR 7 H THR 7 7.379 -13.095 7.273 648 HA THR 7 HA THR 7 7.385 -10.843 7.244 649 HB THR 7 HB THR 7 8.234 -9.989 9.391 650 HG1 THR 7 HG1 THR 7 10.186 -11.169 9.302 651 HG21 THR 7 HG21 THR 7 7.135 -12.828 9.636 652 HG22 THR 7 HG22 THR 7 6.996 -11.533 10.848 653 HG23 THR 7 HG23 THR 7 6.150 -11.390 9.288 654 H GLU 8 H GLU 8 9.227 -11.390 5.263 655 HA GLU 8 HA GLU 8 11.263 -9.405 5.963 656 HB2 GLU 8 HB3 GLU 8 12.750 -10.555 4.335 657 HB3 GLU 8 HB2 GLU 8 12.322 -11.595 5.712 658 HG2 GLU 8 HG3 GLU 8 10.553 -12.672 4.352 659 HG3 GLU 8 HG2 GLU 8 10.986 -11.633 2.972 660 H PHE 9 H PHE 9 8.539 -9.211 4.780 661 HA PHE 9 HA PHE 9 7.379 -8.306 3.186 662 HB2 PHE 9 HB3 PHE 9 8.143 -6.302 2.155 663 HB3 PHE 9 HB2 PHE 9 8.667 -6.343 3.844 664 HD1 PHE 9 HD2 PHE 9 9.847 -6.918 0.416 665 HD2 PHE 9 HD1 PHE 9 10.899 -6.100 4.369 666 HE1 PHE 9 HE2 PHE 9 12.124 -6.527 -0.269 667 HE2 PHE 9 HE1 PHE 9 13.176 -5.712 3.687 668 HZ PHE 9 HZ PHE 9 13.791 -5.930 1.366 669 H SER 10 H SER 10 6.630 -9.037 1.304 670 HA SER 10 HA SER 10 8.685 -10.057 -0.518 671 HB2 SER 10 HB3 SER 10 7.320 -11.820 0.599 672 HB3 SER 10 HB2 SER 10 5.848 -11.093 -0.094 673 HG SER 10 HG SER 10 6.679 -12.809 -1.312 674 H GLU 11 H GLU 11 7.377 -10.399 -2.809 675 HA GLU 11 HA GLU 11 7.216 -7.908 -3.850 676 HB2 GLU 11 HB3 GLU 11 7.461 -9.934 -5.182 677 HB3 GLU 11 HB2 GLU 11 5.806 -10.443 -4.765 678 HG2 GLU 11 HG3 GLU 11 5.940 -9.330 -7.007 679 HG3 GLU 11 HG2 GLU 11 4.881 -8.453 -5.879 680 H GLU 12 H GLU 12 4.270 -9.888 -2.965 681 HA GLU 12 HA GLU 12 2.726 -7.676 -3.759 682 HB2 GLU 12 HB3 GLU 12 0.802 -8.907 -2.898 683 HB3 GLU 12 HB2 GLU 12 1.822 -9.898 -3.956 684 HG2 GLU 12 HG2 GLU 12 2.889 -10.894 -1.894 685 HG3 GLU 12 HG3 GLU 12 1.705 -9.983 -0.918 686 H GLN 13 H GLN 13 4.647 -7.830 -1.012 687 HA GLN 13 HA GLN 13 2.617 -6.228 0.349 688 HB2 GLN 13 HB3 GLN 13 5.191 -7.472 1.396 689 HB3 GLN 13 HB2 GLN 13 4.085 -6.459 2.353 690 HG2 GLN 13 HG3 GLN 13 3.200 -9.011 0.929 691 HG3 GLN 13 HG2 GLN 13 3.757 -8.969 2.619 692 HE21 GLN 13 HE21 GLN 13 1.450 -7.164 0.491 693 HE22 GLN 13 HE22 GLN 13 0.256 -7.078 1.670 694 H LYS 14 H LYS 14 5.162 -5.990 -1.808 695 HA LYS 14 HA LYS 14 6.318 -3.643 -0.668 696 HB2 LYS 14 HB3 LYS 14 6.414 -4.845 -3.470 697 HB3 LYS 14 HB2 LYS 14 7.305 -3.391 -2.973 698 HG2 LYS 14 HG3 LYS 14 8.520 -4.661 -1.271 699 HG3 LYS 14 HG2 LYS 14 7.592 -6.126 -1.663 700 HD2 LYS 14 HD3 LYS 14 8.479 -6.093 -3.965 701 HD3 LYS 14 HD2 LYS 14 9.391 -4.610 -3.603 702 HE2 LYS 14 HE3 LYS 14 10.672 -5.819 -1.862 703 HE3 LYS 14 HE2 LYS 14 9.741 -7.298 -2.198 704 HZ1 LYS 14 HZ1 LYS 14 11.440 -5.853 -4.116 705 HZ2 LYS 14 HZ2 LYS 14 11.828 -7.285 -3.351 706 HZ3 LYS 14 HZ3 LYS 14 10.562 -7.236 -4.438 707 H LYS 15 H LYS 15 3.257 -4.252 -2.133 708 HA LYS 15 HA LYS 15 3.310 -1.695 -3.476 709 HB2 LYS 15 HB3 LYS 15 1.130 -3.781 -3.039 710 HB3 LYS 15 HB2 LYS 15 0.821 -2.180 -3.744 711 HG2 LYS 15 HG3 LYS 15 1.260 -3.212 -5.706 712 HG3 LYS 15 HG2 LYS 15 2.959 -2.951 -5.249 713 HD2 LYS 15 HD3 LYS 15 2.488 -5.305 -5.953 714 HD3 LYS 15 HD2 LYS 15 3.022 -5.234 -4.252 715 HE2 LYS 15 HE3 LYS 15 0.912 -5.749 -3.440 716 HE3 LYS 15 HE2 LYS 15 0.100 -4.909 -4.775 717 HZ1 LYS 15 HZ1 LYS 15 0.575 -6.690 -6.207 718 HZ2 LYS 15 HZ2 LYS 15 1.471 -7.491 -5.051 719 HZ3 LYS 15 HZ3 LYS 15 -0.176 -7.300 -4.841 720 H ALA 16 H ALA 16 3.190 -2.594 -0.257 721 HA ALA 16 HA ALA 16 1.198 -0.568 0.362 722 HB1 ALA 16 HB1 ALA 16 3.029 -2.271 2.126 723 HB2 ALA 16 HB2 ALA 16 1.775 -1.154 2.714 724 HB3 ALA 16 HB3 ALA 16 1.313 -2.603 1.791 725 H LEU 17 H LEU 17 4.724 -1.282 0.607 726 HA LEU 17 HA LEU 17 5.172 1.371 1.533 727 HB2 LEU 17 HB3 LEU 17 6.982 -0.859 0.552 728 HB3 LEU 17 HB2 LEU 17 7.603 0.776 0.886 729 HG LEU 17 HG LEU 17 6.660 0.661 3.184 730 HD11 LEU 17 HD11 LEU 17 5.869 -1.537 4.020 731 HD12 LEU 17 HD12 LEU 17 4.827 -0.922 2.716 732 HD13 LEU 17 HD13 LEU 17 6.011 -2.210 2.378 733 HD21 LEU 17 HD21 LEU 17 8.446 -1.704 2.465 734 HD22 LEU 17 HD22 LEU 17 9.009 -0.037 2.743 735 HD23 LEU 17 HD23 LEU 17 8.279 -0.966 4.075 736 H ASP 18 H ASP 18 4.551 0.018 -1.628 737 HA ASP 18 HA ASP 18 6.125 1.915 -3.028 738 HB2 ASP 18 HB3 ASP 18 5.206 -0.153 -4.078 739 HB3 ASP 18 HB2 ASP 18 3.559 0.478 -3.839 740 H LEU 19 H LEU 19 2.691 1.785 -1.931 741 HA LEU 19 HA LEU 19 2.236 4.390 -3.013 742 HB2 LEU 19 HB3 LEU 19 0.686 2.408 -1.329 743 HB3 LEU 19 HB2 LEU 19 0.114 4.084 -1.487 744 HG LEU 19 HG LEU 19 -0.008 3.893 -3.903 745 HD11 LEU 19 HD11 LEU 19 0.494 1.748 -5.045 746 HD12 LEU 19 HD12 LEU 19 1.942 2.429 -4.269 747 HD13 LEU 19 HD13 LEU 19 1.079 1.072 -3.507 748 HD21 LEU 19 HD21 LEU 19 -1.758 2.173 -4.076 749 HD22 LEU 19 HD22 LEU 19 -1.187 1.420 -2.569 750 HD23 LEU 19 HD23 LEU 19 -1.911 3.047 -2.533 751 H ALA 20 H ALA 20 3.824 3.289 -0.178 752 HA ALA 20 HA ALA 20 2.865 5.210 1.620 753 HB1 ALA 20 HB1 ALA 20 5.607 3.895 1.390 754 HB2 ALA 20 HB2 ALA 20 4.974 4.741 2.820 755 HB3 ALA 20 HB3 ALA 20 4.211 3.230 2.271 756 H PHE 21 H PHE 21 5.447 5.314 -0.880 757 HA PHE 21 HA PHE 21 6.761 7.530 -0.009 758 HB2 PHE 21 HB3 PHE 21 6.125 6.544 -2.813 759 HB3 PHE 21 HB2 PHE 21 7.194 7.926 -2.473 760 HD1 PHE 21 HD1 PHE 21 6.691 4.439 -1.405 761 HD2 PHE 21 HD2 PHE 21 9.390 7.532 -2.119 762 HE1 PHE 21 HE1 PHE 21 8.526 2.951 -0.900 763 HE2 PHE 21 HE2 PHE 21 11.216 6.044 -1.632 764 HZ PHE 21 HZ PHE 21 10.792 3.758 -1.014 765 H TYR 22 H TYR 22 6.628 9.626 -0.210 766 HA TYR 22 HA TYR 22 5.912 11.683 -0.547 767 HB2 TYR 22 HB3 TYR 22 4.222 10.394 -2.721 768 HB3 TYR 22 HB2 TYR 22 4.464 12.140 -2.499 769 HD1 TYR 22 HD2 TYR 22 7.001 12.790 -2.219 770 HD2 TYR 22 HD1 TYR 22 5.660 9.330 -4.132 771 HE1 TYR 22 HE2 TYR 22 9.097 12.627 -3.398 772 HE2 TYR 22 HE1 TYR 22 7.758 9.165 -5.307 773 HH TYR 22 HH TYR 22 10.462 11.463 -4.953 774 H PHE 23 H PHE 23 4.730 12.750 0.806 775 HA PHE 23 HA PHE 23 3.021 13.535 1.967 776 HB2 PHE 23 HB3 PHE 23 1.363 11.890 0.020 777 HB3 PHE 23 HB2 PHE 23 0.707 13.030 1.207 778 HD1 PHE 23 HD1 PHE 23 1.733 15.386 1.138 779 HD2 PHE 23 HD2 PHE 23 1.911 12.697 -2.050 780 HE1 PHE 23 HE1 PHE 23 2.066 17.220 -0.390 781 HE2 PHE 23 HE2 PHE 23 2.249 14.529 -3.579 782 HZ PHE 23 HZ PHE 23 2.326 16.790 -2.748 783 H ASP 24 H ASP 24 1.867 10.177 1.283 784 HA ASP 24 HA ASP 24 0.907 9.926 3.907 785 HB2 ASP 24 HB3 ASP 24 0.200 8.660 1.825 786 HB3 ASP 24 HB2 ASP 24 1.728 7.757 1.927 787 H ARG 25 H ARG 25 3.832 8.791 2.241 788 HA ARG 25 HA ARG 25 5.720 7.859 2.989 789 HB2 ARG 25 HB3 ARG 25 7.065 9.508 4.078 790 HB3 ARG 25 HB2 ARG 25 6.005 10.299 2.896 791 HG2 ARG 25 HG3 ARG 25 4.458 10.931 4.763 792 HG3 ARG 25 HG2 ARG 25 5.602 10.207 5.918 793 HD2 ARG 25 HD3 ARG 25 6.233 12.451 3.946 794 HD3 ARG 25 HD2 ARG 25 5.940 12.668 5.688 795 HE ARG 25 HE ARG 25 7.919 10.835 5.573 796 HH11 ARG 25 HH11 ARG 25 7.334 13.989 4.236 797 HH12 ARG 25 HH12 ARG 25 8.944 14.470 4.250 798 HH21 ARG 25 HH21 ARG 25 10.148 11.487 5.589 799 HH22 ARG 25 HH22 ARG 25 10.581 13.014 5.037 800 H ARG 26 H ARG 26 4.560 6.024 4.203 801 HA ARG 26 HA ARG 26 4.484 6.250 7.028 802 HB2 ARG 26 HB3 ARG 26 4.630 3.821 5.194 803 HB3 ARG 26 HB2 ARG 26 4.185 3.789 6.919 804 HG2 ARG 26 HG3 ARG 26 2.716 5.451 4.836 805 HG3 ARG 26 HG2 ARG 26 2.225 3.799 5.276 806 HD2 ARG 26 HD3 ARG 26 1.764 4.440 7.548 807 HD3 ARG 26 HD2 ARG 26 2.548 6.021 7.321 808 HE ARG 26 HE ARG 26 0.568 5.833 5.434 809 HH11 ARG 26 HH11 ARG 26 0.844 5.795 8.912 810 HH12 ARG 26 HH12 ARG 26 -0.604 6.605 9.179 811 HH21 ARG 26 HH21 ARG 26 -1.383 6.984 5.812 812 HH22 ARG 26 HH22 ARG 26 -1.919 7.258 7.383 813 H LEU 27 H LEU 27 6.933 7.231 6.866 814 HA LEU 27 HA LEU 27 8.637 4.910 7.368 815 HB2 LEU 27 HB3 LEU 27 8.945 5.986 5.059 816 HB3 LEU 27 HB2 LEU 27 9.554 7.422 5.913 817 HG LEU 27 HG LEU 27 11.319 5.736 5.131 818 HD11 LEU 27 HD11 LEU 27 11.182 6.217 8.133 819 HD12 LEU 27 HD12 LEU 27 12.645 5.907 7.175 820 HD13 LEU 27 HD13 LEU 27 11.731 7.416 6.937 821 HD21 LEU 27 HD21 LEU 27 11.572 3.709 6.546 822 HD22 LEU 27 HD22 LEU 27 10.079 4.136 7.414 823 HD23 LEU 27 HD23 LEU 27 10.011 3.706 5.689 824 H THR 28 H THR 28 7.117 7.432 8.723 825 HA THR 28 HA THR 28 9.424 8.452 10.168 826 HB THR 28 HB THR 28 6.441 9.137 10.276 827 HG1 THR 28 HG1 THR 28 8.651 10.314 8.966 828 HG21 THR 28 HG21 THR 28 7.641 9.904 12.301 829 HG22 THR 28 HG22 THR 28 8.907 10.629 11.278 830 HG23 THR 28 HG23 THR 28 7.257 11.290 11.253 831 HA PRO 29 HA PRO 29 9.120 5.317 13.152 832 HB2 PRO 29 HB3 PRO 29 8.730 7.541 15.162 833 HB3 PRO 29 HB2 PRO 29 9.708 6.043 15.324 834 HG2 PRO 29 HG3 PRO 29 10.933 8.322 14.604 835 HG3 PRO 29 HG2 PRO 29 11.300 6.814 13.705 836 HD2 PRO 29 HD3 PRO 29 9.532 9.115 12.883 837 HD3 PRO 29 HD2 PRO 29 10.621 8.106 11.878 838 H GLU 30 H GLU 30 6.511 7.760 13.857 839 HA GLU 30 HA GLU 30 5.118 5.524 15.023 840 HB2 GLU 30 HB3 GLU 30 4.931 7.835 15.958 841 HB3 GLU 30 HB2 GLU 30 4.135 8.352 14.452 842 HG2 GLU 30 HG3 GLU 30 2.338 6.707 14.819 843 HG3 GLU 30 HG2 GLU 30 3.155 6.113 16.284 844 H TRP 31 H TRP 31 5.658 6.533 11.902 845 HA TRP 31 HA TRP 31 3.037 5.665 11.000 846 HB2 TRP 31 HB3 TRP 31 5.406 6.995 9.588 847 HB3 TRP 31 HB2 TRP 31 3.851 6.588 8.825 848 HD1 TRP 31 HD1 TRP 31 4.818 8.551 12.056 849 HE1 TRP 31 HE1 TRP 31 3.424 10.626 12.150 850 HE3 TRP 31 HE3 TRP 31 2.323 7.895 7.809 851 HZ2 TRP 31 HZ2 TRP 31 1.484 11.803 10.578 852 HZ3 TRP 31 HZ3 TRP 31 0.706 9.562 7.121 853 HH2 TRP 31 HH2 TRP 31 0.285 11.489 8.494 854 H ARG 32 H ARG 32 6.350 4.701 11.449 855 HA ARG 32 HA ARG 32 6.397 2.663 9.468 856 HB2 ARG 32 HB3 ARG 32 7.844 3.024 12.133 857 HB3 ARG 32 HB2 ARG 32 8.188 1.718 10.981 858 HG2 ARG 32 HG3 ARG 32 8.923 3.305 9.295 859 HG3 ARG 32 HG2 ARG 32 8.397 4.673 10.302 860 HD2 ARG 32 HD3 ARG 32 9.981 3.790 12.109 861 HD3 ARG 32 HD2 ARG 32 10.656 2.712 10.866 862 HE ARG 32 HE ARG 32 10.641 5.235 9.791 863 HH11 ARG 32 HH11 ARG 32 11.979 3.620 12.578 864 HH12 ARG 32 HH12 ARG 32 13.339 4.603 12.670 865 HH21 ARG 32 HH21 ARG 32 12.504 6.561 9.917 866 HH22 ARG 32 HH22 ARG 32 13.648 6.308 11.124 867 H ARG 33 H ARG 33 5.667 2.796 13.015 868 HA ARG 33 HA ARG 33 5.082 0.050 13.089 869 HB2 ARG 33 HB3 ARG 33 4.095 0.546 15.280 870 HB3 ARG 33 HB2 ARG 33 5.638 1.414 15.099 871 HG2 ARG 33 HG3 ARG 33 4.399 3.460 14.430 872 HG3 ARG 33 HG2 ARG 33 2.860 2.589 14.630 873 HD2 ARG 33 HD3 ARG 33 3.340 3.921 16.641 874 HD3 ARG 33 HD2 ARG 33 3.416 2.184 17.021 875 HE ARG 33 HE ARG 33 5.953 3.139 16.288 876 HH11 ARG 33 HH11 ARG 33 3.534 3.251 18.785 877 HH12 ARG 33 HH12 ARG 33 4.620 3.496 20.044 878 HH21 ARG 33 HH21 ARG 33 7.457 3.472 18.031 879 HH22 ARG 33 HH22 ARG 33 6.894 3.624 19.606 880 H TYR 34 H TYR 34 3.243 2.815 11.965 881 HA TYR 34 HA TYR 34 0.683 1.717 12.359 882 HB2 TYR 34 HB3 TYR 34 1.015 4.093 11.728 883 HB3 TYR 34 HB2 TYR 34 1.787 3.576 10.208 884 HD1 TYR 34 HD2 TYR 34 -1.380 3.399 12.080 885 HD2 TYR 34 HD1 TYR 34 0.530 2.959 8.394 886 HE1 TYR 34 HE2 TYR 34 -3.522 3.182 10.992 887 HE2 TYR 34 HE1 TYR 34 -1.608 2.723 7.310 888 HH TYR 34 HH TYR 34 -3.946 2.595 7.497 889 H LEU 35 H LEU 35 3.046 1.613 9.667 890 HA LEU 35 HA LEU 35 1.299 0.102 8.021 891 HB2 LEU 35 HB3 LEU 35 3.607 1.613 7.726 892 HB3 LEU 35 HB2 LEU 35 4.232 -0.046 7.588 893 HG LEU 35 HG LEU 35 2.050 1.277 5.928 894 HD11 LEU 35 HD11 LEU 35 4.409 1.735 5.293 895 HD12 LEU 35 HD12 LEU 35 4.726 -0.013 5.233 896 HD13 LEU 35 HD13 LEU 35 3.600 0.726 4.070 897 HD21 LEU 35 HD21 LEU 35 1.790 -0.876 4.777 898 HD22 LEU 35 HD22 LEU 35 2.978 -1.618 5.872 899 HD23 LEU 35 HD23 LEU 35 1.409 -1.062 6.506 900 H SER 36 H SER 36 4.314 -0.640 9.827 901 HA SER 36 HA SER 36 4.574 -3.277 9.312 902 HB2 SER 36 HB3 SER 36 4.997 -1.702 11.883 903 HB3 SER 36 HB2 SER 36 5.602 -3.353 11.624 904 HG SER 36 HG SER 36 6.715 -2.613 9.829 905 H GLN 37 H GLN 37 2.477 -1.835 11.873 906 HA GLN 37 HA GLN 37 1.898 -4.087 13.243 907 HB2 GLN 37 HB3 GLN 37 1.107 -1.823 13.831 908 HB3 GLN 37 HB2 GLN 37 -0.016 -1.855 12.450 909 HG2 GLN 37 HG3 GLN 37 -1.117 -3.871 13.416 910 HG3 GLN 37 HG2 GLN 37 -0.008 -3.795 14.806 911 HE21 GLN 37 HE21 GLN 37 -0.878 -2.750 16.572 912 HE22 GLN 37 HE22 GLN 37 -2.035 -1.535 16.475 913 H ARG 38 H ARG 38 0.286 -3.069 10.142 914 HA ARG 38 HA ARG 38 -1.012 -5.677 10.385 915 HB2 ARG 38 HB3 ARG 38 -2.733 -4.786 8.866 916 HB3 ARG 38 HB2 ARG 38 -2.581 -3.780 10.324 917 HG2 ARG 38 HG3 ARG 38 -1.156 -2.179 9.072 918 HG3 ARG 38 HG2 ARG 38 -1.303 -3.197 7.618 919 HD2 ARG 38 HD3 ARG 38 -3.567 -1.792 9.103 920 HD3 ARG 38 HD2 ARG 38 -2.963 -1.404 7.473 921 HE ARG 38 HE ARG 38 -3.685 -4.070 7.485 922 HH11 ARG 38 HH11 ARG 38 -5.107 -0.926 7.940 923 HH12 ARG 38 HH12 ARG 38 -6.625 -1.361 7.365 924 HH21 ARG 38 HH21 ARG 38 -5.785 -4.673 6.697 925 HH22 ARG 38 HH22 ARG 38 -7.017 -3.535 6.657 926 H LEU 39 H LEU 39 1.549 -4.177 8.822 927 HA LEU 39 HA LEU 39 1.123 -5.345 6.258 928 HB2 LEU 39 HB3 LEU 39 2.566 -3.358 6.648 929 HB3 LEU 39 HB2 LEU 39 3.673 -4.364 7.606 930 HG LEU 39 HG LEU 39 4.066 -5.809 5.626 931 HD11 LEU 39 HD11 LEU 39 2.168 -3.832 4.288 932 HD12 LEU 39 HD12 LEU 39 3.188 -4.990 3.405 933 HD13 LEU 39 HD13 LEU 39 1.918 -5.583 4.500 934 HD21 LEU 39 HD21 LEU 39 5.332 -4.181 4.299 935 HD22 LEU 39 HD22 LEU 39 4.346 -2.849 4.945 936 HD23 LEU 39 HD23 LEU 39 5.445 -3.739 6.020 937 H GLY 40 H GLY 40 3.219 -6.108 9.110 938 HA2 GLY 40 HA3 GLY 40 2.875 -8.485 9.717 939 HA3 GLY 40 HA2 GLY 40 3.262 -8.831 8.020 940 H LEU 41 H LEU 41 5.344 -6.352 8.522 941 HA LEU 41 HA LEU 41 7.153 -8.108 9.989 942 HB2 LEU 41 HB3 LEU 41 8.998 -7.166 8.519 943 HB3 LEU 41 HB2 LEU 41 7.920 -8.368 7.785 944 HG LEU 41 HG LEU 41 8.502 -6.270 6.396 945 HD11 LEU 41 HD11 LEU 41 5.571 -6.959 6.864 946 HD12 LEU 41 HD12 LEU 41 6.279 -6.267 5.387 947 HD13 LEU 41 HD13 LEU 41 6.700 -7.923 5.882 948 HD21 LEU 41 HD21 LEU 41 8.071 -4.684 8.303 949 HD22 LEU 41 HD22 LEU 41 7.151 -4.295 6.835 950 HD23 LEU 41 HD23 LEU 41 6.343 -5.097 8.205 951 H ASN 42 H ASN 42 9.179 -6.710 10.720 952 HA ASN 42 HA ASN 42 7.955 -4.799 12.402 953 HB2 ASN 42 HB3 ASN 42 10.824 -5.694 11.957 954 HB3 ASN 42 HB2 ASN 42 10.358 -4.499 13.190 955 HD21 ASN 42 HD21 ASN 42 10.253 -5.495 15.181 956 HD22 ASN 42 HD22 ASN 42 9.584 -7.014 15.437 957 H GLU 43 H GLU 43 9.270 -2.716 12.850 958 HA GLU 43 HA GLU 43 8.892 -1.027 10.661 959 HB2 GLU 43 HB3 GLU 43 10.496 -0.705 13.239 960 HB3 GLU 43 HB2 GLU 43 10.068 0.623 12.133 961 HG2 GLU 43 HG3 GLU 43 7.670 0.162 12.474 962 HG3 GLU 43 HG2 GLU 43 8.070 -1.204 13.541 963 H GLU 44 H GLU 44 11.708 -2.824 11.864 964 HA GLU 44 HA GLU 44 13.669 -1.438 10.474 965 HB2 GLU 44 HB3 GLU 44 14.111 -3.174 12.184 966 HB3 GLU 44 HB2 GLU 44 13.421 -4.413 11.108 967 HG2 GLU 44 HG3 GLU 44 15.154 -3.952 9.424 968 HG3 GLU 44 HG2 GLU 44 15.814 -2.644 10.434 969 H GLN 45 H GLN 45 11.413 -4.050 9.408 970 HA GLN 45 HA GLN 45 12.822 -4.265 6.948 971 HB2 GLN 45 HB3 GLN 45 10.056 -5.207 7.809 972 HB3 GLN 45 HB2 GLN 45 10.893 -5.709 6.322 973 HG2 GLN 45 HG3 GLN 45 11.913 -6.128 9.166 974 HG3 GLN 45 HG2 GLN 45 11.181 -7.383 8.140 975 HE21 GLN 45 HE21 GLN 45 12.330 -7.347 5.770 976 HE22 GLN 45 HE22 GLN 45 14.007 -7.357 5.869 977 H ILE 46 H ILE 46 10.574 -1.957 8.198 978 HA ILE 46 HA ILE 46 9.445 -1.353 5.629 979 HB ILE 46 HB ILE 46 9.638 0.303 8.192 980 HG12 ILE 46 HG13 ILE 46 8.325 -1.800 8.483 981 HG13 ILE 46 HG12 ILE 46 7.304 -0.346 8.578 982 HG21 ILE 46 HG21 ILE 46 7.857 1.658 7.168 983 HG22 ILE 46 HG22 ILE 46 9.291 1.626 6.115 984 HG23 ILE 46 HG23 ILE 46 7.878 0.619 5.724 985 HD11 ILE 46 HD11 ILE 46 6.657 -0.646 6.204 986 HD12 ILE 46 HD12 ILE 46 7.667 -2.110 6.117 987 HD13 ILE 46 HD13 ILE 46 6.237 -2.076 7.177 988 H GLU 47 H GLU 47 11.980 -0.145 7.843 989 HA GLU 47 HA GLU 47 12.799 1.978 6.225 990 HB2 GLU 47 HB3 GLU 47 14.269 0.239 8.257 991 HB3 GLU 47 HB2 GLU 47 14.900 1.761 7.586 992 HG2 GLU 47 HG3 GLU 47 12.976 2.994 8.489 993 HG3 GLU 47 HG2 GLU 47 12.272 1.481 9.110 994 H ARG 48 H ARG 48 13.695 -1.511 6.228 995 HA ARG 48 HA ARG 48 15.929 -1.049 4.559 996 HB2 ARG 48 HB3 ARG 48 14.411 -3.357 5.657 997 HB3 ARG 48 HB2 ARG 48 15.211 -3.642 4.094 998 HG2 ARG 48 HG3 ARG 48 16.713 -4.208 5.965 999 HG3 ARG 48 HG2 ARG 48 17.352 -2.859 5.002 1000 HD2 ARG 48 HD3 ARG 48 16.521 -1.248 6.677 1001 HD3 ARG 48 HD2 ARG 48 15.835 -2.587 7.632 1002 HE ARG 48 HE ARG 48 18.490 -3.169 7.215 1003 HH11 ARG 48 HH11 ARG 48 16.525 -0.722 8.725 1004 HH12 ARG 48 HH12 ARG 48 17.630 -0.372 9.941 1005 HH21 ARG 48 HH21 ARG 48 20.007 -2.686 8.891 1006 HH22 ARG 48 HH22 ARG 48 19.650 -1.512 10.038 1007 H TRP 49 H TRP 49 12.509 -2.142 3.777 1008 HA TRP 49 HA TRP 49 13.347 -2.314 1.065 1009 HB2 TRP 49 HB3 TRP 49 11.471 -3.667 1.822 1010 HB3 TRP 49 HB2 TRP 49 10.553 -2.204 2.257 1011 HD1 TRP 49 HD1 TRP 49 8.864 -1.689 0.345 1012 HE1 TRP 49 HE1 TRP 49 8.891 -1.719 -2.157 1013 HE3 TRP 49 HE3 TRP 49 13.447 -3.516 -0.264 1014 HZ2 TRP 49 HZ2 TRP 49 10.695 -2.408 -4.126 1015 HZ3 TRP 49 HZ3 TRP 49 14.298 -3.826 -2.515 1016 HH2 TRP 49 HH2 TRP 49 12.939 -3.277 -4.419 1017 H PHE 50 H PHE 50 11.607 0.168 2.976 1018 HA PHE 50 HA PHE 50 10.917 1.804 0.863 1019 HB2 PHE 50 HB3 PHE 50 10.192 1.957 3.252 1020 HB3 PHE 50 HB2 PHE 50 11.801 2.569 3.687 1021 HD1 PHE 50 HD1 PHE 50 12.527 4.728 2.560 1022 HD2 PHE 50 HD2 PHE 50 8.585 3.356 2.493 1023 HE1 PHE 50 HE1 PHE 50 11.755 6.957 2.065 1024 HE2 PHE 50 HE2 PHE 50 7.813 5.587 2.009 1025 HZ PHE 50 HZ PHE 50 9.401 7.387 1.789 1026 H ARG 51 H ARG 51 13.900 1.883 2.908 1027 HA ARG 51 HA ARG 51 15.038 4.013 1.482 1028 HB2 ARG 51 HB3 ARG 51 15.689 3.443 3.745 1029 HB3 ARG 51 HB2 ARG 51 16.227 1.829 3.233 1030 HG2 ARG 51 HG3 ARG 51 17.456 4.118 1.767 1031 HG3 ARG 51 HG2 ARG 51 17.899 3.958 3.485 1032 HD2 ARG 51 HD3 ARG 51 18.061 1.710 1.428 1033 HD3 ARG 51 HD2 ARG 51 19.442 2.644 2.055 1034 HE ARG 51 HE ARG 51 18.196 1.748 4.271 1035 HH11 ARG 51 HH11 ARG 51 19.426 0.292 1.354 1036 HH12 ARG 51 HH12 ARG 51 19.842 -1.164 2.083 1037 HH21 ARG 51 HH21 ARG 51 18.760 -0.249 5.262 1038 HH22 ARG 51 HH22 ARG 51 19.456 -1.479 4.352 1039 H ARG 52 H ARG 52 15.448 0.438 1.180 1040 HA ARG 52 HA ARG 52 17.495 0.523 -0.677 1041 HB2 ARG 52 HB3 ARG 52 16.759 -1.550 0.404 1042 HB3 ARG 52 HB2 ARG 52 15.153 -1.399 -0.348 1043 HG2 ARG 52 HG3 ARG 52 16.529 -2.988 -1.624 1044 HG3 ARG 52 HG2 ARG 52 16.212 -1.534 -2.599 1045 HD2 ARG 52 HD3 ARG 52 18.445 -0.627 -1.907 1046 HD3 ARG 52 HD2 ARG 52 18.747 -2.139 -1.017 1047 HE ARG 52 HE ARG 52 18.613 -1.834 -3.900 1048 HH11 ARG 52 HH11 ARG 52 18.899 -3.804 -1.049 1049 HH12 ARG 52 HH12 ARG 52 19.524 -5.144 -1.846 1050 HH21 ARG 52 HH21 ARG 52 19.485 -3.677 -5.004 1051 HH22 ARG 52 HH22 ARG 52 19.864 -5.070 -4.146 1052 H LYS 53 H LYS 53 13.969 0.755 -1.093 1053 HA LYS 53 HA LYS 53 13.894 0.460 -3.815 1054 HB2 LYS 53 HB3 LYS 53 12.065 0.372 -2.115 1055 HB3 LYS 53 HB2 LYS 53 12.127 2.138 -1.990 1056 HG2 LYS 53 HG3 LYS 53 11.371 2.368 -4.302 1057 HG3 LYS 53 HG2 LYS 53 11.532 0.605 -4.553 1058 HD2 LYS 53 HD3 LYS 53 9.974 0.296 -2.567 1059 HD3 LYS 53 HD2 LYS 53 9.639 2.032 -2.639 1060 HE2 LYS 53 HE3 LYS 53 9.212 0.135 -4.983 1061 HE3 LYS 53 HE2 LYS 53 7.950 0.552 -3.802 1062 HZ1 LYS 53 HZ1 LYS 53 8.382 2.882 -4.353 1063 HZ2 LYS 53 HZ2 LYS 53 9.354 2.377 -5.612 1064 HZ3 LYS 53 HZ3 LYS 53 7.735 1.982 -5.597 1065 H GLU 54 H GLU 54 15.248 3.188 -2.054 1066 HA GLU 54 HA GLU 54 14.948 4.721 -4.535 1067 HB2 GLU 54 HB3 GLU 54 15.671 5.606 -1.701 1068 HB3 GLU 54 HB2 GLU 54 15.617 6.665 -3.125 1069 HG2 GLU 54 HG3 GLU 54 13.195 6.063 -3.413 1070 HG3 GLU 54 HG2 GLU 54 13.283 5.166 -1.875 1071 H GLN 55 H GLN 55 17.164 2.707 -2.976 1072 HA GLN 55 HA GLN 55 19.358 4.522 -3.521 1073 HB2 GLN 55 HB3 GLN 55 19.140 1.865 -2.066 1074 HB3 GLN 55 HB2 GLN 55 20.703 2.642 -2.420 1075 HG2 GLN 55 HG3 GLN 55 18.479 4.192 -1.054 1076 HG3 GLN 55 HG2 GLN 55 19.580 3.145 -0.125 1077 HE21 GLN 55 HE21 GLN 55 19.916 5.556 -2.816 1078 HE22 GLN 55 HE22 GLN 55 21.260 6.289 -2.126 1079 H GLN 56 H GLN 56 17.616 2.258 -5.291 1080 HA GLN 56 HA GLN 56 19.934 1.143 -6.547 1081 HB2 GLN 56 HB3 GLN 56 17.747 -0.066 -6.501 1082 HB3 GLN 56 HB2 GLN 56 17.026 1.248 -7.459 1083 HG2 GLN 56 HG3 GLN 56 17.641 -0.541 -8.982 1084 HG3 GLN 56 HG2 GLN 56 18.765 0.814 -9.239 1085 HE21 GLN 56 HE21 GLN 56 18.698 -2.497 -8.971 1086 HE22 GLN 56 HE22 GLN 56 20.239 -2.733 -8.345 1087 H ILE 57 H ILE 57 18.275 4.170 -6.628 1088 HA ILE 57 HA ILE 57 19.546 4.622 -9.221 1089 HB ILE 57 HB ILE 57 17.104 4.463 -9.418 1090 HG12 ILE 57 HG13 ILE 57 16.738 6.732 -10.433 1091 HG13 ILE 57 HG12 ILE 57 18.261 7.271 -9.687 1092 HG21 ILE 57 HG21 ILE 57 16.626 5.228 -7.044 1093 HG22 ILE 57 HG22 ILE 57 16.963 6.893 -7.587 1094 HG23 ILE 57 HG23 ILE 57 15.625 5.986 -8.302 1095 HD11 ILE 57 HD11 ILE 57 18.616 6.557 -12.039 1096 HD12 ILE 57 HD12 ILE 57 19.478 5.483 -10.911 1097 HD13 ILE 57 HD13 ILE 57 17.948 4.953 -11.651 1098 H GLY 58 H GLY 58 18.481 6.303 -6.149 1099 HA2 GLY 58 HA3 GLY 58 20.502 7.780 -5.561 1100 HA3 GLY 58 HA2 GLY 58 20.152 8.473 -7.161 1101 H TRP 59 H TRP 59 17.532 7.308 -5.106 1102 HA TRP 59 HA TRP 59 15.868 8.359 -4.067 1103 HB2 TRP 59 HB3 TRP 59 17.814 10.692 -3.953 1104 HB3 TRP 59 HB2 TRP 59 16.256 10.612 -3.122 1105 HD1 TRP 59 HD1 TRP 59 16.080 8.440 -1.307 1106 HE1 TRP 59 HE1 TRP 59 17.821 7.657 0.307 1107 HE3 TRP 59 HE3 TRP 59 20.043 10.436 -3.553 1108 HZ2 TRP 59 HZ2 TRP 59 20.554 7.912 0.576 1109 HZ3 TRP 59 HZ3 TRP 59 22.231 10.144 -2.551 1110 HH2 TRP 59 HH2 TRP 59 22.483 8.896 -0.513 1111 H SER 60 H SER 60 16.584 9.048 -7.229 1112 HA SER 60 HA SER 60 14.634 11.226 -7.143 1113 HB2 SER 60 HB3 SER 60 15.447 11.815 -9.395 1114 HB3 SER 60 HB2 SER 60 16.789 11.796 -8.227 1115 HG SER 60 HG SER 60 16.010 9.709 -9.976 1116 H HIS 61 H HIS 61 14.895 7.896 -7.841 1117 HA HIS 61 HA HIS 61 12.317 8.110 -9.174 1118 HB2 HIS 61 HB3 HIS 61 14.087 7.953 -10.960 1119 HB3 HIS 61 HB2 HIS 61 14.637 6.432 -10.212 1120 HD1 HIS 61 HD1 HIS 61 13.441 4.415 -11.139 1121 HD2 HIS 61 HD2 HIS 61 11.251 7.853 -11.521 1122 HE1 HIS 61 HE1 HIS 61 11.336 3.830 -12.361 1123 HE2 HIS 61 HE2 HIS 61 10.015 5.944 -12.589 1124 HA PRO 62 HA PRO 62 12.890 4.946 -5.908 1125 HB2 PRO 62 HB3 PRO 62 9.996 5.639 -5.439 1126 HB3 PRO 62 HB2 PRO 62 11.301 5.394 -4.236 1127 HG2 PRO 62 HG3 PRO 62 10.482 7.900 -4.827 1128 HG3 PRO 62 HG2 PRO 62 12.242 7.556 -4.710 1129 HD2 PRO 62 HD3 PRO 62 10.518 7.680 -7.211 1130 HD3 PRO 62 HD2 PRO 62 12.106 8.456 -6.913 1131 H GLN 63 H GLN 63 12.565 3.812 -8.296 1132 HA GLN 63 HA GLN 63 11.525 2.190 -9.482 1133 HB2 GLN 63 HB3 GLN 63 11.376 1.274 -6.586 1134 HB3 GLN 63 HB2 GLN 63 11.186 0.220 -8.005 1135 HG2 GLN 63 HG3 GLN 63 13.448 0.901 -8.799 1136 HG3 GLN 63 HG2 GLN 63 13.645 1.888 -7.331 1137 HE21 GLN 63 HE21 GLN 63 11.791 -0.816 -6.491 1138 HE22 GLN 63 HE22 GLN 63 13.054 -1.772 -5.935 1139 H PHE 64 H PHE 64 9.471 3.630 -9.956 1140 HA PHE 64 HA PHE 64 7.263 3.051 -8.274 1141 HB2 PHE 64 HB3 PHE 64 7.489 4.226 -11.072 1142 HB3 PHE 64 HB2 PHE 64 5.960 4.099 -10.166 1143 HD1 PHE 64 HD2 PHE 64 6.227 4.932 -7.659 1144 HD2 PHE 64 HD1 PHE 64 8.612 6.194 -10.841 1145 HE1 PHE 64 HE2 PHE 64 6.780 6.941 -6.447 1146 HE2 PHE 64 HE1 PHE 64 9.168 8.202 -9.631 1147 HZ PHE 64 HZ PHE 64 8.245 8.579 -7.437 1148 H GLU 65 H GLU 65 8.889 1.034 -10.501 1149 HA GLU 65 HA GLU 65 6.345 -0.386 -10.828 1150 HB2 GLU 65 HB3 GLU 65 8.795 -0.357 -12.651 1151 HB3 GLU 65 HB2 GLU 65 7.319 -1.316 -12.908 1152 HG2 GLU 65 HG3 GLU 65 5.989 0.784 -13.018 1153 HG3 GLU 65 HG2 GLU 65 7.482 1.729 -12.798 1154 H LYS 66 H LYS 66 9.332 -0.411 -9.213 1155 HA LYS 66 HA LYS 66 9.217 -3.341 -9.249 1156 HB2 LYS 66 HB3 LYS 66 11.630 -1.496 -8.948 1157 HB3 LYS 66 HB2 LYS 66 11.638 -3.232 -8.571 1158 HG2 LYS 66 HG3 LYS 66 12.399 -3.254 -10.759 1159 HG3 LYS 66 HG2 LYS 66 10.654 -3.494 -11.002 1160 HD2 LYS 66 HD3 LYS 66 10.400 -1.052 -11.426 1161 HD3 LYS 66 HD2 LYS 66 12.141 -0.827 -11.149 1162 HE2 LYS 66 HE3 LYS 66 12.661 -2.304 -13.046 1163 HE3 LYS 66 HE2 LYS 66 10.928 -2.613 -13.304 1164 HZ1 LYS 66 HZ1 LYS 66 11.767 -0.926 -14.769 1165 HZ2 LYS 66 HZ2 LYS 66 10.626 -0.291 -13.730 1166 HZ3 LYS 66 HZ3 LYS 66 12.247 0.011 -13.475 Start of MODEL 7 1 H1 MET 1 H1 MET 1 -5.829 -19.341 2.305 2 H2 MET 1 H2 MET 1 -4.217 -19.540 1.925 3 H3 MET 1 H3 MET 1 -5.385 -20.369 1.068 4 HA MET 1 HA MET 1 -4.550 -18.539 -0.224 5 HB2 MET 1 HB3 MET 1 -7.382 -18.220 0.859 6 HB3 MET 1 HB2 MET 1 -6.768 -17.465 -0.632 7 HG2 MET 1 HG3 MET 1 -6.824 -20.468 -0.088 8 HG3 MET 1 HG2 MET 1 -8.008 -19.589 -1.086 9 HE1 MET 1 HE1 MET 1 -6.035 -21.658 -3.549 10 HE2 MET 1 HE2 MET 1 -6.394 -22.035 -1.846 11 HE3 MET 1 HE3 MET 1 -7.609 -21.210 -2.851 12 H GLU 2 H GLU 2 -3.642 -16.515 -0.124 13 HA GLU 2 HA GLU 2 -4.397 -14.879 2.195 14 HB2 GLU 2 HB3 GLU 2 -2.129 -15.941 2.429 15 HB3 GLU 2 HB2 GLU 2 -1.650 -15.182 0.893 16 HG2 GLU 2 HG3 GLU 2 -0.871 -13.799 2.753 17 HG3 GLU 2 HG2 GLU 2 -2.172 -12.937 1.897 18 H LYS 3 H LYS 3 -2.771 -14.898 -0.994 19 HA LYS 3 HA LYS 3 -3.261 -12.166 -1.446 20 HB2 LYS 3 HB3 LYS 3 -2.440 -12.634 -3.704 21 HB3 LYS 3 HB2 LYS 3 -1.401 -13.425 -2.497 22 HG2 LYS 3 HG3 LYS 3 -2.701 -15.550 -2.850 23 HG3 LYS 3 HG2 LYS 3 -3.590 -14.742 -4.166 24 HD2 LYS 3 HD3 LYS 3 -0.556 -15.082 -4.019 25 HD3 LYS 3 HD2 LYS 3 -1.652 -16.059 -5.027 26 HE2 LYS 3 HE3 LYS 3 -2.374 -14.036 -6.237 27 HE3 LYS 3 HE2 LYS 3 -1.331 -13.028 -5.205 28 HZ1 LYS 3 HZ1 LYS 3 -0.407 -15.205 -6.956 29 HZ2 LYS 3 HZ2 LYS 3 -0.303 -13.575 -7.299 30 HZ3 LYS 3 HZ3 LYS 3 0.554 -14.212 -6.018 31 H ARG 4 H ARG 4 -4.459 -11.626 -3.676 32 HA ARG 4 HA ARG 4 -7.094 -12.820 -3.259 33 HB2 ARG 4 HB3 ARG 4 -6.981 -10.401 -2.845 34 HB3 ARG 4 HB2 ARG 4 -6.173 -10.154 -4.416 35 HG2 ARG 4 HG3 ARG 4 -8.424 -9.673 -4.901 36 HG3 ARG 4 HG2 ARG 4 -8.243 -11.357 -5.439 37 HD2 ARG 4 HD3 ARG 4 -9.337 -10.433 -2.747 38 HD3 ARG 4 HD2 ARG 4 -10.312 -11.015 -4.108 39 HE ARG 4 HE ARG 4 -8.614 -13.043 -3.593 40 HH11 ARG 4 HH11 ARG 4 -10.838 -11.011 -1.847 41 HH12 ARG 4 HH12 ARG 4 -11.282 -12.187 -0.729 42 HH21 ARG 4 HH21 ARG 4 -9.239 -14.686 -2.036 43 HH22 ARG 4 HH22 ARG 4 -10.365 -14.320 -0.844 44 HA PRO 5 HA PRO 5 -6.451 -13.788 -7.624 45 HB2 PRO 5 HB3 PRO 5 -7.383 -16.325 -7.679 46 HB3 PRO 5 HB2 PRO 5 -5.787 -15.982 -6.935 47 HG2 PRO 5 HG3 PRO 5 -8.471 -16.314 -5.555 48 HG3 PRO 5 HG2 PRO 5 -6.906 -17.071 -5.126 49 HD2 PRO 5 HD3 PRO 5 -7.879 -14.743 -3.942 50 HD3 PRO 5 HD2 PRO 5 -6.130 -15.116 -4.106 51 H ARG 6 H ARG 6 -9.037 -13.117 -5.674 52 HA ARG 6 HA ARG 6 -10.944 -14.082 -7.654 53 HB2 ARG 6 HB3 ARG 6 -11.293 -13.114 -4.788 54 HB3 ARG 6 HB2 ARG 6 -12.602 -13.674 -5.851 55 HG2 ARG 6 HG3 ARG 6 -11.486 -15.889 -6.044 56 HG3 ARG 6 HG2 ARG 6 -10.203 -15.318 -4.947 57 HD2 ARG 6 HD3 ARG 6 -11.861 -16.577 -3.651 58 HD3 ARG 6 HD2 ARG 6 -11.956 -14.855 -3.210 59 HE ARG 6 HE ARG 6 -13.728 -15.489 -5.316 60 HH11 ARG 6 HH11 ARG 6 -13.172 -15.755 -1.887 61 HH12 ARG 6 HH12 ARG 6 -14.799 -15.840 -1.477 62 HH21 ARG 6 HH21 ARG 6 -15.971 -15.599 -4.741 63 HH22 ARG 6 HH22 ARG 6 -16.421 -15.747 -3.129 64 H THR 7 H THR 7 -9.306 -11.240 -7.344 65 HA THR 7 HA THR 7 -9.724 -9.127 -7.829 66 HB THR 7 HB THR 7 -11.366 -8.605 -9.524 67 HG1 THR 7 HG1 THR 7 -12.193 -11.298 -9.255 68 HG21 THR 7 HG21 THR 7 -9.969 -11.268 -10.014 69 HG22 THR 7 HG22 THR 7 -10.535 -10.144 -11.272 70 HG23 THR 7 HG23 THR 7 -9.228 -9.657 -10.167 71 H GLU 8 H GLU 8 -10.337 -9.377 -5.370 72 HA GLU 8 HA GLU 8 -12.360 -7.542 -4.876 73 HB2 GLU 8 HB3 GLU 8 -13.921 -8.930 -3.603 74 HB3 GLU 8 HB2 GLU 8 -13.895 -9.413 -5.311 75 HG2 GLU 8 HG3 GLU 8 -12.374 -11.287 -4.752 76 HG3 GLU 8 HG2 GLU 8 -12.425 -10.808 -3.037 77 H PHE 9 H PHE 9 -9.977 -7.241 -4.334 78 HA PHE 9 HA PHE 9 -8.141 -7.923 -2.971 79 HB2 PHE 9 HB3 PHE 9 -8.246 -5.921 -1.415 80 HB3 PHE 9 HB2 PHE 9 -8.626 -5.565 -3.119 81 HD1 PHE 9 HD2 PHE 9 -10.259 -6.426 0.081 82 HD2 PHE 9 HD1 PHE 9 -10.647 -4.662 -3.679 83 HE1 PHE 9 HE2 PHE 9 -12.488 -5.708 0.647 84 HE2 PHE 9 HE1 PHE 9 -12.869 -3.929 -3.108 85 HZ PHE 9 HZ PHE 9 -13.792 -4.453 -0.945 86 H SER 10 H SER 10 -7.481 -9.155 -1.485 87 HA SER 10 HA SER 10 -9.264 -10.229 0.479 88 HB2 SER 10 HB3 SER 10 -7.568 -11.606 -0.755 89 HB3 SER 10 HB2 SER 10 -6.278 -10.603 -0.058 90 HG SER 10 HG SER 10 -6.497 -12.435 1.117 91 H GLU 11 H GLU 11 -8.082 -10.471 2.766 92 HA GLU 11 HA GLU 11 -8.014 -7.914 3.852 93 HB2 GLU 11 HB3 GLU 11 -8.441 -10.189 4.999 94 HB3 GLU 11 HB2 GLU 11 -6.671 -10.362 5.046 95 HG2 GLU 11 HG3 GLU 11 -7.398 -9.359 7.139 96 HG3 GLU 11 HG2 GLU 11 -6.583 -8.088 6.194 97 H GLU 12 H GLU 12 -5.431 -10.107 2.716 98 HA GLU 12 HA GLU 12 -3.344 -8.567 3.748 99 HB2 GLU 12 HB3 GLU 12 -3.139 -10.932 3.014 100 HB3 GLU 12 HB2 GLU 12 -3.407 -10.422 1.332 101 HG2 GLU 12 HG3 GLU 12 -1.004 -10.705 1.798 102 HG3 GLU 12 HG2 GLU 12 -1.370 -9.002 1.443 103 H GLN 13 H GLN 13 -5.406 -8.009 0.916 104 HA GLN 13 HA GLN 13 -3.250 -6.394 -0.173 105 HB2 GLN 13 HB3 GLN 13 -6.040 -6.966 -1.271 106 HB3 GLN 13 HB2 GLN 13 -4.690 -6.206 -2.148 107 HG2 GLN 13 HG3 GLN 13 -4.689 -9.022 -0.991 108 HG3 GLN 13 HG2 GLN 13 -4.948 -8.639 -2.705 109 HE21 GLN 13 HE21 GLN 13 -3.016 -7.403 -3.797 110 HE22 GLN 13 HE22 GLN 13 -1.492 -7.829 -3.231 111 H LYS 14 H LYS 14 -6.293 -6.135 1.587 112 HA LYS 14 HA LYS 14 -6.993 -3.572 0.897 113 HB2 LYS 14 HB3 LYS 14 -7.209 -5.123 3.501 114 HB3 LYS 14 HB2 LYS 14 -7.923 -3.510 3.288 115 HG2 LYS 14 HG3 LYS 14 -9.391 -4.283 1.550 116 HG3 LYS 14 HG2 LYS 14 -8.531 -5.838 1.429 117 HD2 LYS 14 HD3 LYS 14 -10.607 -6.095 2.760 118 HD3 LYS 14 HD2 LYS 14 -9.166 -6.378 3.763 119 HE2 LYS 14 HE3 LYS 14 -9.291 -4.013 4.563 120 HE3 LYS 14 HE2 LYS 14 -10.794 -3.805 3.629 121 HZ1 LYS 14 HZ1 LYS 14 -11.260 -4.383 5.887 122 HZ2 LYS 14 HZ2 LYS 14 -11.728 -5.633 4.882 123 HZ3 LYS 14 HZ3 LYS 14 -10.316 -5.758 5.771 124 H LYS 15 H LYS 15 -4.180 -4.518 2.888 125 HA LYS 15 HA LYS 15 -4.256 -1.979 4.206 126 HB2 LYS 15 HB3 LYS 15 -2.141 -4.160 3.956 127 HB3 LYS 15 HB2 LYS 15 -1.847 -2.610 4.779 128 HG2 LYS 15 HG3 LYS 15 -2.571 -3.977 6.554 129 HG3 LYS 15 HG2 LYS 15 -4.058 -3.124 6.071 130 HD2 LYS 15 HD3 LYS 15 -4.724 -5.392 6.201 131 HD3 LYS 15 HD2 LYS 15 -4.420 -5.162 4.462 132 HE2 LYS 15 HE3 LYS 15 -2.367 -6.231 6.455 133 HE3 LYS 15 HE2 LYS 15 -3.397 -7.265 5.442 134 HZ1 LYS 15 HZ1 LYS 15 -1.276 -6.911 4.436 135 HZ2 LYS 15 HZ2 LYS 15 -2.461 -6.208 3.509 136 HZ3 LYS 15 HZ3 LYS 15 -1.482 -5.257 4.471 137 H ALA 16 H ALA 16 -2.878 -3.289 1.190 138 HA ALA 16 HA ALA 16 -1.067 -1.163 0.830 139 HB1 ALA 16 HB1 ALA 16 -1.155 -1.854 -1.545 140 HB2 ALA 16 HB2 ALA 16 -1.010 -3.275 -0.484 141 HB3 ALA 16 HB3 ALA 16 -2.582 -2.861 -1.207 142 H LEU 17 H LEU 17 -4.532 -1.649 0.076 143 HA LEU 17 HA LEU 17 -4.720 0.725 -1.452 144 HB2 LEU 17 HB3 LEU 17 -6.684 -1.085 0.015 145 HB3 LEU 17 HB2 LEU 17 -7.210 0.394 -0.815 146 HG LEU 17 HG LEU 17 -6.033 -0.450 -2.901 147 HD11 LEU 17 HD11 LEU 17 -4.508 -2.009 -1.758 148 HD12 LEU 17 HD12 LEU 17 -5.901 -2.947 -1.164 149 HD13 LEU 17 HD13 LEU 17 -5.531 -2.912 -2.898 150 HD21 LEU 17 HD21 LEU 17 -8.477 -0.691 -2.631 151 HD22 LEU 17 HD22 LEU 17 -7.794 -2.111 -3.459 152 HD23 LEU 17 HD23 LEU 17 -8.237 -2.213 -1.737 153 H ASP 18 H ASP 18 -4.984 -0.066 2.007 154 HA ASP 18 HA ASP 18 -6.091 2.381 2.800 155 HB2 ASP 18 HB3 ASP 18 -5.992 0.381 4.247 156 HB3 ASP 18 HB2 ASP 18 -4.215 0.462 4.252 157 H LEU 19 H LEU 19 -2.688 1.261 2.459 158 HA LEU 19 HA LEU 19 -1.496 3.423 3.650 159 HB2 LEU 19 HB3 LEU 19 -0.770 1.335 1.660 160 HB3 LEU 19 HB2 LEU 19 0.242 2.797 1.641 161 HG LEU 19 HG LEU 19 0.680 2.598 4.029 162 HD11 LEU 19 HD11 LEU 19 -0.307 0.925 5.424 163 HD12 LEU 19 HD12 LEU 19 -1.646 1.605 4.475 164 HD13 LEU 19 HD13 LEU 19 -0.936 0.032 4.028 165 HD21 LEU 19 HD21 LEU 19 1.018 -0.076 2.596 166 HD22 LEU 19 HD22 LEU 19 2.140 1.304 2.518 167 HD23 LEU 19 HD23 LEU 19 1.911 0.430 4.049 168 H ALA 20 H ALA 20 -2.488 3.115 0.160 169 HA ALA 20 HA ALA 20 -1.391 5.699 -0.321 170 HB1 ALA 20 HB1 ALA 20 -3.361 3.969 -1.877 171 HB2 ALA 20 HB2 ALA 20 -2.674 5.498 -2.475 172 HB3 ALA 20 HB3 ALA 20 -1.610 4.109 -2.162 173 H PHE 21 H PHE 21 -4.807 4.534 -0.369 174 HA PHE 21 HA PHE 21 -6.694 5.772 -0.296 175 HB2 PHE 21 HB3 PHE 21 -6.141 5.048 2.030 176 HB3 PHE 21 HB2 PHE 21 -5.327 6.612 2.283 177 HD1 PHE 21 HD1 PHE 21 -8.537 5.278 1.020 178 HD2 PHE 21 HD2 PHE 21 -6.598 8.295 3.156 179 HE1 PHE 21 HE1 PHE 21 -10.667 6.283 1.534 180 HE2 PHE 21 HE2 PHE 21 -8.728 9.299 3.671 181 HZ PHE 21 HZ PHE 21 -10.762 8.293 2.860 182 H TYR 22 H TYR 22 -5.233 7.309 -2.064 183 HA TYR 22 HA TYR 22 -6.105 9.914 -1.260 184 HB2 TYR 22 HB3 TYR 22 -3.912 9.654 -0.068 185 HB3 TYR 22 HB2 TYR 22 -3.133 9.363 -1.641 186 HD1 TYR 22 HD2 TYR 22 -5.520 11.777 -0.163 187 HD2 TYR 22 HD1 TYR 22 -2.180 11.192 -2.594 188 HE1 TYR 22 HE2 TYR 22 -5.370 14.154 -0.525 189 HE2 TYR 22 HE1 TYR 22 -2.033 13.571 -2.963 190 HH TYR 22 HH TYR 22 -4.251 15.979 -1.551 191 H PHE 23 H PHE 23 -6.525 11.123 -3.107 192 HA PHE 23 HA PHE 23 -6.375 9.759 -5.567 193 HB2 PHE 23 HB3 PHE 23 -8.153 11.410 -4.834 194 HB3 PHE 23 HB2 PHE 23 -6.941 12.697 -5.040 195 HD1 PHE 23 HD2 PHE 23 -8.373 9.822 -6.872 196 HD2 PHE 23 HD1 PHE 23 -6.753 13.660 -7.105 197 HE1 PHE 23 HE2 PHE 23 -8.856 9.883 -9.234 198 HE2 PHE 23 HE1 PHE 23 -7.230 13.719 -9.467 199 HZ PHE 23 HZ PHE 23 -8.291 11.834 -10.529 200 H ASP 24 H ASP 24 -3.890 9.546 -5.375 201 HA ASP 24 HA ASP 24 -2.769 11.157 -7.351 202 HB2 ASP 24 HB3 ASP 24 -2.614 12.796 -5.424 203 HB3 ASP 24 HB2 ASP 24 -1.636 11.591 -4.552 204 H ARG 25 H ARG 25 -2.565 8.898 -4.651 205 HA ARG 25 HA ARG 25 -0.318 7.629 -6.026 206 HB2 ARG 25 HB3 ARG 25 -1.516 7.137 -3.257 207 HB3 ARG 25 HB2 ARG 25 -0.090 6.315 -3.932 208 HG2 ARG 25 HG3 ARG 25 -0.323 9.321 -3.461 209 HG3 ARG 25 HG2 ARG 25 0.521 8.183 -2.385 210 HD2 ARG 25 HD3 ARG 25 1.181 8.658 -5.323 211 HD3 ARG 25 HD2 ARG 25 2.096 9.311 -3.946 212 HE ARG 25 HE ARG 25 2.030 6.615 -3.544 213 HH11 ARG 25 HH11 ARG 25 2.945 8.847 -6.049 214 HH12 ARG 25 HH12 ARG 25 4.225 7.928 -6.632 215 HH21 ARG 25 HH21 ARG 25 3.849 5.331 -4.364 216 HH22 ARG 25 HH22 ARG 25 4.728 5.900 -5.674 217 H ARG 26 H ARG 26 -3.664 7.675 -5.939 218 HA ARG 26 HA ARG 26 -3.732 5.143 -7.226 219 HB2 ARG 26 HB3 ARG 26 -5.288 4.090 -5.625 220 HB3 ARG 26 HB2 ARG 26 -3.739 4.439 -4.817 221 HG2 ARG 26 HG3 ARG 26 -4.638 6.426 -3.789 222 HG3 ARG 26 HG2 ARG 26 -6.119 6.349 -4.774 223 HD2 ARG 26 HD3 ARG 26 -5.270 4.197 -2.789 224 HD3 ARG 26 HD2 ARG 26 -6.428 5.500 -2.424 225 HE ARG 26 HE ARG 26 -7.389 4.383 -4.687 226 HH11 ARG 26 HH11 ARG 26 -6.348 3.293 -1.561 227 HH12 ARG 26 HH12 ARG 26 -7.464 2.046 -1.450 228 HH21 ARG 26 HH21 ARG 26 -8.943 2.616 -4.539 229 HH22 ARG 26 HH22 ARG 26 -8.949 1.639 -3.174 230 H LEU 27 H LEU 27 -6.149 4.563 -7.595 231 HA LEU 27 HA LEU 27 -8.237 5.064 -8.172 232 HB2 LEU 27 HB3 LEU 27 -7.980 6.165 -5.834 233 HB3 LEU 27 HB2 LEU 27 -7.929 7.702 -6.721 234 HG LEU 27 HG LEU 27 -10.207 7.119 -5.924 235 HD11 LEU 27 HD11 LEU 27 -11.397 7.483 -8.020 236 HD12 LEU 27 HD12 LEU 27 -9.908 8.455 -8.011 237 HD13 LEU 27 HD13 LEU 27 -9.984 6.946 -8.953 238 HD21 LEU 27 HD21 LEU 27 -9.905 4.744 -7.812 239 HD22 LEU 27 HD22 LEU 27 -9.981 4.664 -6.035 240 HD23 LEU 27 HD23 LEU 27 -11.396 5.216 -6.963 241 H THR 28 H THR 28 -5.636 6.845 -9.487 242 HA THR 28 HA THR 28 -7.500 8.638 -10.796 243 HB THR 28 HB THR 28 -5.523 9.567 -11.895 244 HG1 THR 28 HG1 THR 28 -3.525 8.597 -11.551 245 HG21 THR 28 HG21 THR 28 -5.832 10.218 -9.523 246 HG22 THR 28 HG22 THR 28 -4.855 8.823 -9.012 247 HG23 THR 28 HG23 THR 28 -4.107 10.141 -9.945 248 HA PRO 29 HA PRO 29 -8.326 6.056 -14.201 249 HB2 PRO 29 HB3 PRO 29 -6.791 8.004 -15.934 250 HB3 PRO 29 HB2 PRO 29 -8.379 7.232 -16.252 251 HG2 PRO 29 HG3 PRO 29 -8.295 9.770 -15.344 252 HG3 PRO 29 HG2 PRO 29 -9.465 8.615 -14.627 253 HD2 PRO 29 HD3 PRO 29 -6.813 9.550 -13.506 254 HD3 PRO 29 HD2 PRO 29 -8.361 9.237 -12.652 255 H GLU 30 H GLU 30 -5.006 7.341 -14.259 256 HA GLU 30 HA GLU 30 -4.134 5.022 -15.686 257 HB2 GLU 30 HB3 GLU 30 -3.042 7.222 -15.955 258 HB3 GLU 30 HB2 GLU 30 -2.593 7.214 -14.235 259 HG2 GLU 30 HG3 GLU 30 -1.264 5.161 -14.576 260 HG3 GLU 30 HG2 GLU 30 -1.759 5.113 -16.284 261 H TRP 31 H TRP 31 -3.804 6.226 -12.273 262 HA TRP 31 HA TRP 31 -2.217 4.079 -11.564 263 HB2 TRP 31 HB3 TRP 31 -3.769 6.122 -10.061 264 HB3 TRP 31 HB2 TRP 31 -3.386 4.607 -9.212 265 HD1 TRP 31 HD1 TRP 31 -1.128 4.616 -8.072 266 HE1 TRP 31 HE1 TRP 31 1.071 5.777 -8.347 267 HE3 TRP 31 HE3 TRP 31 -2.208 7.168 -12.201 268 HZ2 TRP 31 HZ2 TRP 31 2.167 7.576 -10.118 269 HZ3 TRP 31 HZ3 TRP 31 -0.516 8.609 -13.168 270 HH2 TRP 31 HH2 TRP 31 1.645 8.814 -12.135 271 H ARG 32 H ARG 32 -5.764 4.130 -11.925 272 HA ARG 32 HA ARG 32 -6.267 1.974 -10.232 273 HB2 ARG 32 HB3 ARG 32 -7.485 2.842 -12.890 274 HB3 ARG 32 HB2 ARG 32 -8.177 1.577 -11.850 275 HG2 ARG 32 HG3 ARG 32 -8.592 3.136 -10.067 276 HG3 ARG 32 HG2 ARG 32 -7.609 4.388 -10.850 277 HD2 ARG 32 HD3 ARG 32 -9.254 4.175 -12.841 278 HD3 ARG 32 HD2 ARG 32 -10.318 3.311 -11.709 279 HE ARG 32 HE ARG 32 -9.500 5.695 -10.524 280 HH11 ARG 32 HH11 ARG 32 -11.330 4.505 -13.235 281 HH12 ARG 32 HH12 ARG 32 -12.350 5.837 -13.325 282 HH21 ARG 32 HH21 ARG 32 -10.890 7.533 -10.659 283 HH22 ARG 32 HH22 ARG 32 -12.098 7.595 -11.826 284 H ARG 33 H ARG 33 -5.255 2.078 -13.699 285 HA ARG 33 HA ARG 33 -5.284 -0.730 -13.969 286 HB2 ARG 33 HB3 ARG 33 -5.373 0.863 -15.875 287 HB3 ARG 33 HB2 ARG 33 -3.730 1.421 -15.476 288 HG2 ARG 33 HG3 ARG 33 -2.847 -0.849 -15.839 289 HG3 ARG 33 HG2 ARG 33 -4.488 -1.454 -16.167 290 HD2 ARG 33 HD3 ARG 33 -4.668 0.043 -18.113 291 HD3 ARG 33 HD2 ARG 33 -3.038 0.684 -17.800 292 HE ARG 33 HE ARG 33 -3.414 -2.174 -18.250 293 HH11 ARG 33 HH11 ARG 33 -2.225 0.964 -19.162 294 HH12 ARG 33 HH12 ARG 33 -1.199 0.399 -20.366 295 HH21 ARG 33 HH21 ARG 33 -1.988 -2.960 -19.906 296 HH22 ARG 33 HH22 ARG 33 -1.061 -1.879 -20.798 297 H TYR 34 H TYR 34 -2.761 1.674 -13.149 298 HA TYR 34 HA TYR 34 -0.553 0.035 -13.164 299 HB2 TYR 34 HB3 TYR 34 -0.370 2.436 -12.796 300 HB3 TYR 34 HB2 TYR 34 -1.410 2.322 -11.359 301 HD1 TYR 34 HD2 TYR 34 1.782 0.880 -12.597 302 HD2 TYR 34 HD1 TYR 34 -0.475 2.231 -9.355 303 HE1 TYR 34 HE2 TYR 34 3.665 0.528 -11.133 304 HE2 TYR 34 HE1 TYR 34 1.404 1.875 -7.892 305 HH TYR 34 HH TYR 34 3.672 1.193 -7.623 306 H LEU 35 H LEU 35 -2.981 0.555 -10.570 307 HA LEU 35 HA LEU 35 -1.590 -1.053 -8.714 308 HB2 LEU 35 HB3 LEU 35 -4.493 -0.147 -8.986 309 HB3 LEU 35 HB2 LEU 35 -3.848 -1.004 -7.565 310 HG LEU 35 HG LEU 35 -2.714 1.613 -8.637 311 HD11 LEU 35 HD11 LEU 35 -3.804 2.641 -6.668 312 HD12 LEU 35 HD12 LEU 35 -5.012 1.922 -7.760 313 HD13 LEU 35 HD13 LEU 35 -4.552 1.079 -6.261 314 HD21 LEU 35 HD21 LEU 35 -1.105 0.218 -7.426 315 HD22 LEU 35 HD22 LEU 35 -1.574 1.614 -6.425 316 HD23 LEU 35 HD23 LEU 35 -2.263 0.006 -6.092 317 H SER 36 H SER 36 -4.508 -1.618 -10.756 318 HA SER 36 HA SER 36 -5.148 -4.077 -9.872 319 HB2 SER 36 HB3 SER 36 -5.200 -2.989 -12.718 320 HB3 SER 36 HB2 SER 36 -6.093 -4.422 -12.156 321 HG SER 36 HG SER 36 -6.298 -1.760 -11.228 322 H GLN 37 H GLN 37 -2.597 -3.344 -12.299 323 HA GLN 37 HA GLN 37 -2.346 -5.942 -13.205 324 HB2 GLN 37 HB3 GLN 37 -1.338 -3.929 -14.256 325 HB3 GLN 37 HB2 GLN 37 -0.214 -3.787 -12.883 326 HG2 GLN 37 HG3 GLN 37 0.845 -4.953 -14.799 327 HG3 GLN 37 HG2 GLN 37 0.699 -6.034 -13.392 328 HE21 GLN 37 HE21 GLN 37 -1.477 -5.015 -16.116 329 HE22 GLN 37 HE22 GLN 37 -1.937 -6.589 -16.479 330 H ARG 38 H ARG 38 -0.905 -4.449 -10.252 331 HA ARG 38 HA ARG 38 0.341 -7.076 -9.904 332 HB2 ARG 38 HB3 ARG 38 1.297 -4.307 -9.061 333 HB3 ARG 38 HB2 ARG 38 2.078 -5.838 -8.587 334 HG2 ARG 38 HG3 ARG 38 2.364 -6.433 -10.980 335 HG3 ARG 38 HG2 ARG 38 1.614 -4.891 -11.446 336 HD2 ARG 38 HD3 ARG 38 4.036 -4.682 -11.580 337 HD3 ARG 38 HD2 ARG 38 3.439 -3.676 -10.240 338 HE ARG 38 HE ARG 38 4.045 -6.058 -9.100 339 HH11 ARG 38 HH11 ARG 38 5.670 -3.772 -11.173 340 HH12 ARG 38 HH12 ARG 38 7.183 -3.987 -10.473 341 HH21 ARG 38 HH21 ARG 38 6.139 -6.375 -8.164 342 HH22 ARG 38 HH22 ARG 38 7.461 -5.512 -8.734 343 H LEU 39 H LEU 39 -2.129 -5.121 -8.812 344 HA LEU 39 HA LEU 39 -1.743 -5.659 -6.013 345 HB2 LEU 39 HB3 LEU 39 -2.680 -3.529 -6.844 346 HB3 LEU 39 HB2 LEU 39 -4.012 -4.414 -7.618 347 HG LEU 39 HG LEU 39 -4.756 -5.220 -5.407 348 HD11 LEU 39 HD11 LEU 39 -3.751 -4.270 -3.354 349 HD12 LEU 39 HD12 LEU 39 -2.545 -5.205 -4.269 350 HD13 LEU 39 HD13 LEU 39 -2.529 -3.427 -4.337 351 HD21 LEU 39 HD21 LEU 39 -5.729 -3.115 -4.772 352 HD22 LEU 39 HD22 LEU 39 -4.308 -2.207 -5.347 353 HD23 LEU 39 HD23 LEU 39 -5.404 -2.984 -6.512 354 H GLY 40 H GLY 40 -4.075 -6.629 -8.623 355 HA2 GLY 40 HA3 GLY 40 -4.315 -9.075 -8.627 356 HA3 GLY 40 HA2 GLY 40 -4.628 -8.933 -6.888 357 H LEU 41 H LEU 41 -6.202 -6.257 -7.885 358 HA LEU 41 HA LEU 41 -8.440 -7.840 -8.881 359 HB2 LEU 41 HB3 LEU 41 -9.944 -6.264 -7.587 360 HB3 LEU 41 HB2 LEU 41 -9.062 -7.469 -6.629 361 HG LEU 41 HG LEU 41 -9.127 -5.069 -5.719 362 HD11 LEU 41 HD11 LEU 41 -6.863 -5.283 -4.842 363 HD12 LEU 41 HD12 LEU 41 -7.603 -6.896 -4.962 364 HD13 LEU 41 HD13 LEU 41 -6.412 -6.371 -6.175 365 HD21 LEU 41 HD21 LEU 41 -7.011 -4.721 -7.890 366 HD22 LEU 41 HD22 LEU 41 -8.623 -3.968 -7.902 367 HD23 LEU 41 HD23 LEU 41 -7.451 -3.532 -6.640 368 H ASN 42 H ASN 42 -10.185 -6.132 -9.820 369 HA ASN 42 HA ASN 42 -8.506 -4.670 -11.650 370 HB2 ASN 42 HB3 ASN 42 -11.388 -5.554 -11.676 371 HB3 ASN 42 HB2 ASN 42 -10.799 -4.325 -12.824 372 HD21 ASN 42 HD21 ASN 42 -8.638 -4.957 -13.932 373 HD22 ASN 42 HD22 ASN 42 -8.518 -6.565 -14.417 374 H GLU 43 H GLU 43 -9.613 -2.663 -12.575 375 HA GLU 43 HA GLU 43 -9.228 -0.671 -10.743 376 HB2 GLU 43 HB3 GLU 43 -10.966 -0.497 -13.238 377 HB3 GLU 43 HB2 GLU 43 -9.993 0.790 -12.491 378 HG2 GLU 43 HG3 GLU 43 -8.707 0.026 -14.355 379 HG3 GLU 43 HG2 GLU 43 -7.950 -0.741 -12.939 380 H GLU 44 H GLU 44 -12.183 -2.471 -11.501 381 HA GLU 44 HA GLU 44 -13.995 -0.626 -10.447 382 HB2 GLU 44 HB3 GLU 44 -14.644 -2.620 -11.763 383 HB3 GLU 44 HB2 GLU 44 -14.037 -3.679 -10.467 384 HG2 GLU 44 HG3 GLU 44 -15.665 -2.716 -8.889 385 HG3 GLU 44 HG2 GLU 44 -16.236 -1.588 -10.141 386 H GLN 45 H GLN 45 -11.978 -3.199 -8.909 387 HA GLN 45 HA GLN 45 -13.303 -2.748 -6.431 388 HB2 GLN 45 HB3 GLN 45 -10.697 -4.178 -7.091 389 HB3 GLN 45 HB2 GLN 45 -11.569 -4.266 -5.540 390 HG2 GLN 45 HG3 GLN 45 -12.648 -5.132 -8.259 391 HG3 GLN 45 HG2 GLN 45 -12.109 -6.220 -6.958 392 HE21 GLN 45 HE21 GLN 45 -13.264 -5.525 -4.700 393 HE22 GLN 45 HE22 GLN 45 -14.923 -5.317 -4.860 394 H ILE 46 H ILE 46 -10.937 -0.948 -8.141 395 HA ILE 46 HA ILE 46 -9.547 -0.078 -5.778 396 HB ILE 46 HB ILE 46 -9.766 1.106 -8.591 397 HG12 ILE 46 HG13 ILE 46 -8.746 -1.166 -8.557 398 HG13 ILE 46 HG12 ILE 46 -7.553 0.091 -8.966 399 HG21 ILE 46 HG21 ILE 46 -7.774 1.638 -6.345 400 HG22 ILE 46 HG22 ILE 46 -7.756 2.379 -7.963 401 HG23 ILE 46 HG23 ILE 46 -9.088 2.732 -6.836 402 HD11 ILE 46 HD11 ILE 46 -6.622 -1.483 -7.312 403 HD12 ILE 46 HD12 ILE 46 -6.800 0.138 -6.600 404 HD13 ILE 46 HD13 ILE 46 -7.976 -1.140 -6.207 405 H GLU 47 H GLU 47 -12.032 1.133 -8.062 406 HA GLU 47 HA GLU 47 -12.523 3.505 -6.636 407 HB2 GLU 47 HB3 GLU 47 -14.202 1.846 -8.570 408 HB3 GLU 47 HB2 GLU 47 -14.614 3.490 -8.024 409 HG2 GLU 47 HG3 GLU 47 -12.496 4.349 -8.955 410 HG3 GLU 47 HG2 GLU 47 -12.047 2.707 -9.478 411 H ARG 48 H ARG 48 -13.885 0.190 -6.429 412 HA ARG 48 HA ARG 48 -15.990 1.118 -4.741 413 HB2 ARG 48 HB3 ARG 48 -15.032 -1.515 -5.799 414 HB3 ARG 48 HB2 ARG 48 -15.942 -1.522 -4.272 415 HG2 ARG 48 HG3 ARG 48 -17.491 -1.769 -6.149 416 HG3 ARG 48 HG2 ARG 48 -17.761 -0.217 -5.328 417 HD2 ARG 48 HD3 ARG 48 -16.463 0.949 -7.076 418 HD3 ARG 48 HD2 ARG 48 -16.133 -0.608 -7.875 419 HE ARG 48 HE ARG 48 -18.884 -0.299 -7.551 420 HH11 ARG 48 HH11 ARG 48 -16.146 0.975 -9.285 421 HH12 ARG 48 HH12 ARG 48 -17.020 1.409 -10.652 422 HH21 ARG 48 HH21 ARG 48 -20.086 0.295 -9.443 423 HH22 ARG 48 HH22 ARG 48 -19.303 1.013 -10.744 424 H TRP 49 H TRP 49 -12.810 -0.596 -4.116 425 HA TRP 49 HA TRP 49 -13.318 -0.841 -1.393 426 HB2 TRP 49 HB3 TRP 49 -11.302 -1.793 -2.550 427 HB3 TRP 49 HB2 TRP 49 -10.651 -0.142 -2.698 428 HD1 TRP 49 HD1 TRP 49 -11.326 -2.867 -0.121 429 HE1 TRP 49 HE1 TRP 49 -10.227 -2.293 2.049 430 HE3 TRP 49 HE3 TRP 49 -9.932 1.768 -1.261 431 HZ2 TRP 49 HZ2 TRP 49 -8.926 -0.118 3.106 432 HZ3 TRP 49 HZ3 TRP 49 -8.788 3.092 0.415 433 HH2 TRP 49 HH2 TRP 49 -8.280 2.157 2.570 434 H PHE 50 H PHE 50 -12.035 1.889 -3.318 435 HA PHE 50 HA PHE 50 -11.266 3.462 -1.192 436 HB2 PHE 50 HB3 PHE 50 -10.734 3.822 -3.612 437 HB3 PHE 50 HB2 PHE 50 -12.430 4.268 -3.885 438 HD1 PHE 50 HD2 PHE 50 -9.601 5.149 -1.680 439 HD2 PHE 50 HD1 PHE 50 -12.966 6.480 -3.761 440 HE1 PHE 50 HE2 PHE 50 -9.085 7.420 -1.061 441 HE2 PHE 50 HE1 PHE 50 -12.455 8.750 -3.133 442 HZ PHE 50 HZ PHE 50 -10.516 9.220 -1.783 443 H ARG 51 H ARG 51 -14.421 3.768 -3.033 444 HA ARG 51 HA ARG 51 -15.172 5.559 -0.945 445 HB2 ARG 51 HB3 ARG 51 -17.167 5.952 -2.217 446 HB3 ARG 51 HB2 ARG 51 -15.770 5.917 -3.308 447 HG2 ARG 51 HG3 ARG 51 -17.153 4.586 -4.539 448 HG3 ARG 51 HG2 ARG 51 -16.517 3.311 -3.471 449 HD2 ARG 51 HD3 ARG 51 -18.443 3.638 -1.951 450 HD3 ARG 51 HD2 ARG 51 -19.042 4.964 -2.970 451 HE ARG 51 HE ARG 51 -18.783 2.225 -3.971 452 HH11 ARG 51 HH11 ARG 51 -20.470 5.225 -3.456 453 HH12 ARG 51 HH12 ARG 51 -21.818 4.802 -4.363 454 HH21 ARG 51 HH21 ARG 51 -20.644 1.642 -5.226 455 HH22 ARG 51 HH22 ARG 51 -21.920 2.723 -5.392 456 H ARG 52 H ARG 52 -16.045 2.141 -1.737 457 HA ARG 52 HA ARG 52 -18.071 2.092 0.184 458 HB2 ARG 52 HB3 ARG 52 -16.291 -0.132 -0.877 459 HB3 ARG 52 HB2 ARG 52 -17.714 -0.392 0.147 460 HG2 ARG 52 HG3 ARG 52 -17.932 1.198 -2.429 461 HG3 ARG 52 HG2 ARG 52 -17.999 -0.578 -2.428 462 HD2 ARG 52 HD3 ARG 52 -20.271 0.197 -2.279 463 HD3 ARG 52 HD2 ARG 52 -19.823 -0.452 -0.686 464 HE ARG 52 HE ARG 52 -19.351 2.339 -0.910 465 HH11 ARG 52 HH11 ARG 52 -21.731 -0.156 -0.412 466 HH12 ARG 52 HH12 ARG 52 -22.794 0.820 0.448 467 HH21 ARG 52 HH21 ARG 52 -20.826 3.679 0.280 468 HH22 ARG 52 HH22 ARG 52 -22.270 3.038 0.850 469 H LYS 53 H LYS 53 -14.733 2.605 0.845 470 HA LYS 53 HA LYS 53 -15.021 1.048 3.284 471 HB2 LYS 53 HB3 LYS 53 -12.879 0.950 1.940 472 HB3 LYS 53 HB2 LYS 53 -12.656 2.685 2.275 473 HG2 LYS 53 HG3 LYS 53 -11.386 1.500 3.931 474 HG3 LYS 53 HG2 LYS 53 -12.850 2.078 4.766 475 HD2 LYS 53 HD3 LYS 53 -13.896 -0.132 4.512 476 HD3 LYS 53 HD2 LYS 53 -12.527 -0.691 3.522 477 HE2 LYS 53 HE3 LYS 53 -12.207 -1.529 5.780 478 HE3 LYS 53 HE2 LYS 53 -11.006 -0.248 5.488 479 HZ1 LYS 53 HZ1 LYS 53 -13.585 0.075 6.871 480 HZ2 LYS 53 HZ2 LYS 53 -12.084 0.010 7.601 481 HZ3 LYS 53 HZ3 LYS 53 -12.469 1.284 6.594 482 H GLU 54 H GLU 54 -14.092 4.418 2.296 483 HA GLU 54 HA GLU 54 -14.487 5.370 4.910 484 HB2 GLU 54 HB3 GLU 54 -14.353 7.591 3.854 485 HB3 GLU 54 HB2 GLU 54 -13.105 6.518 3.172 486 HG2 GLU 54 HG3 GLU 54 -14.607 6.020 1.252 487 HG3 GLU 54 HG2 GLU 54 -15.831 7.114 1.935 488 H GLN 55 H GLN 55 -16.798 4.555 2.392 489 HA GLN 55 HA GLN 55 -18.691 6.377 3.624 490 HB2 GLN 55 HB3 GLN 55 -18.935 4.471 1.258 491 HB3 GLN 55 HB2 GLN 55 -20.244 5.509 1.860 492 HG2 GLN 55 HG3 GLN 55 -17.547 6.514 0.841 493 HG3 GLN 55 HG2 GLN 55 -19.076 6.534 -0.070 494 HE21 GLN 55 HE21 GLN 55 -17.134 8.573 1.644 495 HE22 GLN 55 HE22 GLN 55 -18.317 9.585 2.275 496 H GLN 56 H GLN 56 -17.501 3.332 4.356 497 HA GLN 56 HA GLN 56 -19.938 1.981 4.772 498 HB2 GLN 56 HB3 GLN 56 -17.707 0.869 4.710 499 HB3 GLN 56 HB2 GLN 56 -17.254 1.730 6.200 500 HG2 GLN 56 HG3 GLN 56 -18.029 -0.541 6.733 501 HG3 GLN 56 HG2 GLN 56 -19.174 0.658 7.379 502 HE21 GLN 56 HE21 GLN 56 -21.276 -0.006 7.047 503 HE22 GLN 56 HE22 GLN 56 -21.805 -0.818 5.674 504 H ILE 57 H ILE 57 -17.885 4.136 6.837 505 HA ILE 57 HA ILE 57 -20.012 3.825 8.775 506 HB ILE 57 HB ILE 57 -18.479 4.076 10.411 507 HG12 ILE 57 HG13 ILE 57 -16.549 5.770 10.142 508 HG13 ILE 57 HG12 ILE 57 -17.402 6.337 8.688 509 HG21 ILE 57 HG21 ILE 57 -16.178 3.466 9.727 510 HG22 ILE 57 HG22 ILE 57 -17.381 2.494 8.846 511 HG23 ILE 57 HG23 ILE 57 -16.574 3.858 8.036 512 HD11 ILE 57 HD11 ILE 57 -18.059 7.646 10.708 513 HD12 ILE 57 HD12 ILE 57 -19.441 6.717 10.093 514 HD13 ILE 57 HD13 ILE 57 -18.548 6.142 11.519 515 H GLY 58 H GLY 58 -18.926 6.235 6.434 516 HA2 GLY 58 HA3 GLY 58 -20.796 7.930 6.422 517 HA3 GLY 58 HA2 GLY 58 -20.397 8.111 8.137 518 H TRP 59 H TRP 59 -17.733 7.666 5.889 519 HA TRP 59 HA TRP 59 -16.291 9.060 4.956 520 HB2 TRP 59 HB3 TRP 59 -18.230 10.334 4.127 521 HB3 TRP 59 HB2 TRP 59 -18.258 11.263 5.643 522 HD1 TRP 59 HD1 TRP 59 -15.811 10.640 2.703 523 HE1 TRP 59 HE1 TRP 59 -14.365 12.670 2.470 524 HE3 TRP 59 HE3 TRP 59 -17.505 13.137 6.651 525 HZ2 TRP 59 HZ2 TRP 59 -14.018 15.045 3.837 526 HZ3 TRP 59 HZ3 TRP 59 -16.573 15.321 7.152 527 HH2 TRP 59 HH2 TRP 59 -14.849 16.258 5.765 528 H SER 60 H SER 60 -16.467 8.713 8.147 529 HA SER 60 HA SER 60 -14.695 11.005 8.548 530 HB2 SER 60 HB3 SER 60 -14.854 10.518 10.941 531 HB3 SER 60 HB2 SER 60 -16.485 10.700 10.252 532 HG SER 60 HG SER 60 -16.550 8.451 10.037 533 H HIS 61 H HIS 61 -14.560 8.105 7.288 534 HA HIS 61 HA HIS 61 -13.177 6.415 7.119 535 HB2 HIS 61 HB3 HIS 61 -10.987 7.166 6.361 536 HB3 HIS 61 HB2 HIS 61 -12.279 8.227 5.766 537 HD1 HIS 61 HD1 HIS 61 -12.037 10.671 6.388 538 HD2 HIS 61 HD2 HIS 61 -9.608 8.213 8.581 539 HE1 HIS 61 HE1 HIS 61 -10.535 12.131 7.755 540 HE2 HIS 61 HE2 HIS 61 -9.059 10.611 9.089 541 HA PRO 62 HA PRO 62 -10.903 5.905 11.036 542 HB2 PRO 62 HB3 PRO 62 -12.555 4.366 12.542 543 HB3 PRO 62 HB2 PRO 62 -12.778 6.149 12.546 544 HG2 PRO 62 HG3 PRO 62 -14.265 4.068 10.909 545 HG3 PRO 62 HG2 PRO 62 -14.952 5.421 11.863 546 HD2 PRO 62 HD3 PRO 62 -14.476 5.555 9.123 547 HD3 PRO 62 HD2 PRO 62 -14.414 6.987 10.202 548 H GLN 63 H GLN 63 -10.385 4.763 8.763 549 HA GLN 63 HA GLN 63 -11.740 2.362 8.250 550 HB2 GLN 63 HB3 GLN 63 -9.134 3.536 7.199 551 HB3 GLN 63 HB2 GLN 63 -9.949 2.106 6.520 552 HG2 GLN 63 HG3 GLN 63 -11.971 3.435 6.072 553 HG3 GLN 63 HG2 GLN 63 -11.190 4.876 6.761 554 HE21 GLN 63 HE21 GLN 63 -8.691 3.236 5.305 555 HE22 GLN 63 HE22 GLN 63 -8.771 3.963 3.794 556 H PHE 64 H PHE 64 -8.236 2.789 9.180 557 HA PHE 64 HA PHE 64 -8.533 0.047 10.139 558 HB2 PHE 64 HB3 PHE 64 -6.111 1.467 8.977 559 HB3 PHE 64 HB2 PHE 64 -6.037 -0.094 9.826 560 HD1 PHE 64 HD1 PHE 64 -7.934 1.517 7.083 561 HD2 PHE 64 HD2 PHE 64 -6.222 -1.966 8.597 562 HE1 PHE 64 HE1 PHE 64 -8.595 0.332 5.096 563 HE2 PHE 64 HE2 PHE 64 -6.847 -3.148 6.592 564 HZ PHE 64 HZ PHE 64 -8.041 -2.000 4.840 565 H GLU 65 H GLU 65 -6.731 -0.468 11.795 566 HA GLU 65 HA GLU 65 -7.311 1.153 14.036 567 HB2 GLU 65 HB3 GLU 65 -5.878 -0.495 15.196 568 HB3 GLU 65 HB2 GLU 65 -7.049 -1.306 14.130 569 HG2 GLU 65 HG3 GLU 65 -5.312 -1.522 12.378 570 HG3 GLU 65 HG2 GLU 65 -4.134 -0.712 13.439 571 H LYS 66 H LYS 66 -6.197 3.152 12.781 572 HA LYS 66 HA LYS 66 -3.398 3.160 12.634 573 HB2 LYS 66 HB3 LYS 66 -5.404 5.413 13.120 574 HB3 LYS 66 HB2 LYS 66 -3.687 5.650 12.723 575 HG2 LYS 66 HG3 LYS 66 -5.675 4.149 10.960 576 HG3 LYS 66 HG2 LYS 66 -5.178 5.843 10.727 577 HD2 LYS 66 HD3 LYS 66 -2.772 5.024 10.664 578 HD3 LYS 66 HD2 LYS 66 -3.412 3.366 10.600 579 HE2 LYS 66 HE3 LYS 66 -4.096 5.598 8.628 580 HE3 LYS 66 HE2 LYS 66 -2.927 4.291 8.324 581 HZ1 LYS 66 HZ1 LYS 66 -5.085 3.801 7.423 582 HZ2 LYS 66 HZ2 LYS 66 -4.674 2.715 8.618 583 HZ3 LYS 66 HZ3 LYS 66 -5.780 3.925 8.937 584 H1 MET 1 H1 MET 1 5.893 -19.278 -2.640 585 H2 MET 1 H2 MET 1 4.281 -19.486 -2.260 586 H3 MET 1 H3 MET 1 5.452 -20.321 -1.414 587 HA MET 1 HA MET 1 4.614 -18.510 -0.100 588 HB2 MET 1 HB3 MET 1 7.444 -18.170 -1.178 589 HB3 MET 1 HB2 MET 1 6.828 -17.434 0.321 590 HG2 MET 1 HG3 MET 1 6.892 -20.430 -0.260 591 HG3 MET 1 HG2 MET 1 8.074 -19.561 0.749 592 HE1 MET 1 HE1 MET 1 6.109 -21.672 3.183 593 HE2 MET 1 HE2 MET 1 6.468 -22.023 1.476 594 HE3 MET 1 HE3 MET 1 7.682 -21.209 2.491 595 H GLU 2 H GLU 2 3.701 -16.488 -0.172 596 HA GLU 2 HA GLU 2 4.449 -14.816 -2.466 597 HB2 GLU 2 HB3 GLU 2 2.187 -15.882 -2.723 598 HB3 GLU 2 HB2 GLU 2 1.701 -15.151 -1.176 599 HG2 GLU 2 HG3 GLU 2 0.920 -13.740 -3.014 600 HG3 GLU 2 HG2 GLU 2 2.217 -12.887 -2.143 601 H LYS 3 H LYS 3 2.820 -14.891 0.720 602 HA LYS 3 HA LYS 3 3.293 -12.163 1.208 603 HB2 LYS 3 HB3 LYS 3 2.476 -12.667 3.460 604 HB3 LYS 3 HB2 LYS 3 1.443 -13.451 2.243 605 HG2 LYS 3 HG3 LYS 3 2.760 -15.569 2.565 606 HG3 LYS 3 HG2 LYS 3 3.645 -14.772 3.890 607 HD2 LYS 3 HD3 LYS 3 0.614 -15.132 3.743 608 HD3 LYS 3 HD2 LYS 3 1.718 -16.113 4.738 609 HE2 LYS 3 HE3 LYS 3 2.428 -14.099 5.970 610 HE3 LYS 3 HE2 LYS 3 1.373 -13.088 4.954 611 HZ1 LYS 3 HZ1 LYS 3 0.474 -15.292 6.683 612 HZ2 LYS 3 HZ2 LYS 3 0.356 -13.667 7.044 613 HZ3 LYS 3 HZ3 LYS 3 -0.499 -14.299 5.758 614 H ARG 4 H ARG 4 4.494 -11.642 3.441 615 HA ARG 4 HA ARG 4 7.132 -12.824 3.009 616 HB2 ARG 4 HB3 ARG 4 7.007 -10.399 2.626 617 HB3 ARG 4 HB2 ARG 4 6.202 -10.179 4.202 618 HG2 ARG 4 HG3 ARG 4 8.452 -9.690 4.687 619 HG3 ARG 4 HG2 ARG 4 8.280 -11.381 5.207 620 HD2 ARG 4 HD3 ARG 4 9.361 -10.424 2.520 621 HD3 ARG 4 HD2 ARG 4 10.344 -11.013 3.873 622 HE ARG 4 HE ARG 4 8.651 -13.043 3.343 623 HH11 ARG 4 HH11 ARG 4 10.871 -10.991 1.619 624 HH12 ARG 4 HH12 ARG 4 11.319 -12.155 0.489 625 HH21 ARG 4 HH21 ARG 4 9.280 -14.671 1.772 626 HH22 ARG 4 HH22 ARG 4 10.407 -14.293 0.585 627 HA PRO 5 HA PRO 5 6.487 -13.846 7.359 628 HB2 PRO 5 HB3 PRO 5 7.426 -16.382 7.389 629 HB3 PRO 5 HB2 PRO 5 5.829 -16.034 6.644 630 HG2 PRO 5 HG3 PRO 5 8.519 -16.341 5.265 631 HG3 PRO 5 HG2 PRO 5 6.957 -17.100 4.824 632 HD2 PRO 5 HD3 PRO 5 7.920 -14.756 3.668 633 HD3 PRO 5 HD2 PRO 5 6.174 -15.135 3.828 634 H ARG 6 H ARG 6 9.075 -13.148 5.420 635 HA ARG 6 HA ARG 6 10.978 -14.133 7.395 636 HB2 ARG 6 HB3 ARG 6 11.328 -13.131 4.541 637 HB3 ARG 6 HB2 ARG 6 12.639 -13.698 5.600 638 HG2 ARG 6 HG3 ARG 6 11.532 -15.919 5.766 639 HG3 ARG 6 HG2 ARG 6 10.248 -15.342 4.674 640 HD2 ARG 6 HD3 ARG 6 11.913 -16.581 3.369 641 HD3 ARG 6 HD2 ARG 6 12.001 -14.854 2.944 642 HE ARG 6 HE ARG 6 13.772 -15.499 5.047 643 HH11 ARG 6 HH11 ARG 6 13.225 -15.739 1.616 644 HH12 ARG 6 HH12 ARG 6 14.853 -15.813 1.207 645 HH21 ARG 6 HH21 ARG 6 16.017 -15.599 4.478 646 HH22 ARG 6 HH22 ARG 6 16.472 -15.730 2.866 647 H THR 7 H THR 7 9.338 -11.292 7.113 648 HA THR 7 HA THR 7 9.751 -9.184 7.622 649 HB THR 7 HB THR 7 11.389 -8.674 9.323 650 HG1 THR 7 HG1 THR 7 12.225 -11.362 9.031 651 HG21 THR 7 HG21 THR 7 9.999 -11.345 9.783 652 HG22 THR 7 HG22 THR 7 10.563 -10.234 11.053 653 HG23 THR 7 HG23 THR 7 9.255 -9.738 9.953 654 H GLU 8 H GLU 8 10.364 -9.402 5.162 655 HA GLU 8 HA GLU 8 12.387 -7.559 4.693 656 HB2 GLU 8 HB3 GLU 8 13.946 -8.928 3.402 657 HB3 GLU 8 HB2 GLU 8 13.923 -9.428 5.105 658 HG2 GLU 8 HG3 GLU 8 12.405 -11.300 4.527 659 HG3 GLU 8 HG2 GLU 8 12.457 -10.807 2.817 660 H PHE 9 H PHE 9 10.005 -7.254 4.154 661 HA PHE 9 HA PHE 9 8.168 -7.905 2.781 662 HB2 PHE 9 HB3 PHE 9 8.276 -5.892 1.254 663 HB3 PHE 9 HB2 PHE 9 8.666 -5.557 2.960 664 HD1 PHE 9 HD2 PHE 9 10.273 -6.376 -0.264 665 HD2 PHE 9 HD1 PHE 9 10.705 -4.683 3.525 666 HE1 PHE 9 HE2 PHE 9 12.503 -5.667 -0.834 667 HE2 PHE 9 HE1 PHE 9 12.930 -3.961 2.951 668 HZ PHE 9 HZ PHE 9 13.834 -4.459 0.773 669 H SER 10 H SER 10 7.503 -9.120 1.270 670 HA SER 10 HA SER 10 9.288 -10.159 -0.713 671 HB2 SER 10 HB3 SER 10 7.601 -11.565 0.498 672 HB3 SER 10 HB2 SER 10 6.306 -10.552 -0.175 673 HG SER 10 HG SER 10 6.526 -12.365 -1.381 674 H GLU 11 H GLU 11 8.105 -10.358 -3.007 675 HA GLU 11 HA GLU 11 8.026 -7.779 -4.039 676 HB2 GLU 11 HB3 GLU 11 8.466 -10.019 -5.241 677 HB3 GLU 11 HB2 GLU 11 6.697 -10.208 -5.285 678 HG2 GLU 11 HG3 GLU 11 7.397 -9.152 -7.358 679 HG3 GLU 11 HG2 GLU 11 6.587 -7.904 -6.379 680 H GLU 12 H GLU 12 5.457 -10.002 -2.940 681 HA GLU 12 HA GLU 12 3.358 -8.463 -3.948 682 HB2 GLU 12 HB3 GLU 12 3.179 -10.842 -3.240 683 HB3 GLU 12 HB2 GLU 12 3.438 -10.345 -1.553 684 HG2 GLU 12 HG3 GLU 12 1.039 -10.648 -2.029 685 HG3 GLU 12 HG2 GLU 12 1.387 -8.945 -1.656 686 H GLN 13 H GLN 13 5.418 -7.927 -1.109 687 HA GLN 13 HA GLN 13 3.249 -6.343 0.002 688 HB2 GLN 13 HB3 GLN 13 6.047 -6.898 1.090 689 HB3 GLN 13 HB2 GLN 13 4.689 -6.167 1.978 690 HG2 GLN 13 HG3 GLN 13 4.725 -8.969 0.787 691 HG3 GLN 13 HG2 GLN 13 4.976 -8.601 2.506 692 HE21 GLN 13 HE21 GLN 13 3.027 -7.412 3.613 693 HE22 GLN 13 HE22 GLN 13 1.509 -7.851 3.038 694 H LYS 14 H LYS 14 6.293 -6.043 -1.751 695 HA LYS 14 HA LYS 14 6.975 -3.486 -1.027 696 HB2 LYS 14 HB3 LYS 14 7.204 -4.994 -3.655 697 HB3 LYS 14 HB2 LYS 14 7.915 -3.385 -3.409 698 HG2 LYS 14 HG3 LYS 14 9.379 -4.186 -1.683 699 HG3 LYS 14 HG2 LYS 14 8.520 -5.743 -1.589 700 HD2 LYS 14 HD3 LYS 14 10.596 -5.982 -2.919 701 HD3 LYS 14 HD2 LYS 14 9.160 -6.239 -3.935 702 HE2 LYS 14 HE3 LYS 14 9.299 -3.857 -4.683 703 HE3 LYS 14 HE2 LYS 14 10.801 -3.679 -3.743 704 HZ1 LYS 14 HZ1 LYS 14 11.268 -4.215 -6.011 705 HZ2 LYS 14 HZ2 LYS 14 11.724 -5.489 -5.031 706 HZ3 LYS 14 HZ3 LYS 14 10.313 -5.584 -5.925 707 H LYS 15 H LYS 15 4.175 -4.415 -3.063 708 HA LYS 15 HA LYS 15 4.250 -1.848 -4.321 709 HB2 LYS 15 HB3 LYS 15 2.129 -4.029 -4.116 710 HB3 LYS 15 HB2 LYS 15 1.848 -2.469 -4.923 711 HG2 LYS 15 HG3 LYS 15 2.569 -3.819 -6.709 712 HG3 LYS 15 HG2 LYS 15 4.063 -2.987 -6.209 713 HD2 LYS 15 HD3 LYS 15 4.701 -5.263 -6.372 714 HD3 LYS 15 HD2 LYS 15 4.406 -5.046 -4.629 715 HE2 LYS 15 HE3 LYS 15 2.321 -6.065 -6.615 716 HE3 LYS 15 HE2 LYS 15 3.360 -7.129 -5.644 717 HZ1 LYS 15 HZ1 LYS 15 1.264 -6.791 -4.594 718 HZ2 LYS 15 HZ2 LYS 15 2.464 -6.105 -3.673 719 HZ3 LYS 15 HZ3 LYS 15 1.469 -5.136 -4.599 720 H ALA 16 H ALA 16 2.949 -3.180 -1.304 721 HA ALA 16 HA ALA 16 1.075 -1.093 -0.938 722 HB1 ALA 16 HB1 ALA 16 1.156 -1.826 1.427 723 HB2 ALA 16 HB2 ALA 16 1.033 -3.229 0.339 724 HB3 ALA 16 HB3 ALA 16 2.596 -2.812 1.078 725 H LEU 17 H LEU 17 4.532 -1.581 -0.190 726 HA LEU 17 HA LEU 17 4.724 0.760 1.385 727 HB2 LEU 17 HB3 LEU 17 6.681 -1.036 -0.108 728 HB3 LEU 17 HB2 LEU 17 7.216 0.427 0.747 729 HG LEU 17 HG LEU 17 6.041 -0.440 2.821 730 HD11 LEU 17 HD11 LEU 17 4.485 -1.956 1.663 731 HD12 LEU 17 HD12 LEU 17 5.859 -2.904 1.041 732 HD13 LEU 17 HD13 LEU 17 5.503 -2.896 2.778 733 HD21 LEU 17 HD21 LEU 17 8.480 -0.718 2.532 734 HD22 LEU 17 HD22 LEU 17 7.778 -2.138 3.341 735 HD23 LEU 17 HD23 LEU 17 8.209 -2.221 1.616 736 H ASP 18 H ASP 18 5.003 0.044 -2.095 737 HA ASP 18 HA ASP 18 6.133 2.511 -2.806 738 HB2 ASP 18 HB3 ASP 18 6.043 0.531 -4.303 739 HB3 ASP 18 HB2 ASP 18 4.268 0.655 -4.351 740 H LEU 19 H LEU 19 2.738 1.367 -2.536 741 HA LEU 19 HA LEU 19 1.528 3.547 -3.674 742 HB2 LEU 19 HB3 LEU 19 0.848 1.380 -1.768 743 HB3 LEU 19 HB2 LEU 19 -0.183 2.825 -1.650 744 HG LEU 19 HG LEU 19 -0.742 2.723 -3.992 745 HD11 LEU 19 HD11 LEU 19 0.300 1.262 -5.574 746 HD12 LEU 19 HD12 LEU 19 1.625 1.990 -4.641 747 HD13 LEU 19 HD13 LEU 19 1.092 0.326 -4.296 748 HD21 LEU 19 HD21 LEU 19 -0.781 -0.081 -2.784 749 HD22 LEU 19 HD22 LEU 19 -2.008 1.185 -2.538 750 HD23 LEU 19 HD23 LEU 19 -1.787 0.462 -4.146 751 H ALA 20 H ALA 20 2.505 3.161 -0.185 752 HA ALA 20 HA ALA 20 1.410 5.732 0.352 753 HB1 ALA 20 HB1 ALA 20 3.393 3.981 1.868 754 HB2 ALA 20 HB2 ALA 20 2.696 5.492 2.498 755 HB3 ALA 20 HB3 ALA 20 1.643 4.100 2.159 756 H PHE 21 H PHE 21 4.830 4.575 0.366 757 HA PHE 21 HA PHE 21 6.714 5.821 0.310 758 HB2 PHE 21 HB3 PHE 21 6.152 5.129 -2.024 759 HB3 PHE 21 HB2 PHE 21 5.336 6.695 -2.251 760 HD1 PHE 21 HD1 PHE 21 8.554 5.338 -1.034 761 HD2 PHE 21 HD2 PHE 21 6.600 8.398 -3.094 762 HE1 PHE 21 HE1 PHE 21 10.680 6.348 -1.550 763 HE2 PHE 21 HE2 PHE 21 8.726 9.407 -3.611 764 HZ PHE 21 HZ PHE 21 10.766 8.383 -2.840 765 H TYR 22 H TYR 22 5.256 7.330 2.107 766 HA TYR 22 HA TYR 22 6.115 9.948 1.338 767 HB2 TYR 22 HB3 TYR 22 3.928 9.690 0.136 768 HB3 TYR 22 HB2 TYR 22 3.145 9.381 1.704 769 HD1 TYR 22 HD2 TYR 22 5.534 11.815 0.263 770 HD2 TYR 22 HD1 TYR 22 2.175 11.199 2.661 771 HE1 TYR 22 HE2 TYR 22 5.372 14.189 0.645 772 HE2 TYR 22 HE1 TYR 22 2.017 13.574 3.050 773 HH TYR 22 HH TYR 22 4.239 16.000 1.673 774 H PHE 23 H PHE 23 6.529 11.131 3.205 775 HA PHE 23 HA PHE 23 6.368 9.734 5.646 776 HB2 PHE 23 HB3 PHE 23 8.150 11.396 4.940 777 HB3 PHE 23 HB2 PHE 23 6.938 12.679 5.163 778 HD1 PHE 23 HD2 PHE 23 8.370 9.777 6.952 779 HD2 PHE 23 HD1 PHE 23 6.740 13.608 7.245 780 HE1 PHE 23 HE2 PHE 23 8.848 9.800 9.314 781 HE2 PHE 23 HE1 PHE 23 7.212 13.627 9.608 782 HZ PHE 23 HZ PHE 23 8.276 11.727 10.641 783 H ASP 24 H ASP 24 3.890 9.521 5.439 784 HA ASP 24 HA ASP 24 2.747 11.108 7.421 785 HB2 ASP 24 HB3 ASP 24 2.606 12.768 5.510 786 HB3 ASP 24 HB2 ASP 24 1.635 11.571 4.617 787 H ARG 25 H ARG 25 2.585 8.875 4.699 788 HA ARG 25 HA ARG 25 0.327 7.585 6.036 789 HB2 ARG 25 HB3 ARG 25 1.542 7.149 3.265 790 HB3 ARG 25 HB2 ARG 25 0.123 6.300 3.918 791 HG2 ARG 25 HG3 ARG 25 0.322 9.317 3.507 792 HG3 ARG 25 HG2 ARG 25 -0.498 8.189 2.401 793 HD2 ARG 25 HD3 ARG 25 -1.190 8.610 5.340 794 HD3 ARG 25 HD2 ARG 25 -2.112 9.249 3.960 795 HE ARG 25 HE ARG 25 -1.943 6.546 3.555 796 HH11 ARG 25 HH11 ARG 25 -3.039 8.775 5.992 797 HH12 ARG 25 HH12 ARG 25 -4.300 7.809 6.541 798 HH21 ARG 25 HH21 ARG 25 -3.716 5.198 4.331 799 HH22 ARG 25 HH22 ARG 25 -4.680 5.746 5.591 800 H ARG 26 H ARG 26 3.691 7.624 5.905 801 HA ARG 26 HA ARG 26 3.742 5.079 7.187 802 HB2 ARG 26 HB3 ARG 26 5.310 4.048 5.584 803 HB3 ARG 26 HB2 ARG 26 3.770 4.414 4.765 804 HG2 ARG 26 HG3 ARG 26 4.686 6.416 3.781 805 HG3 ARG 26 HG2 ARG 26 6.155 6.319 4.781 806 HD2 ARG 26 HD3 ARG 26 5.326 4.203 2.748 807 HD3 ARG 26 HD2 ARG 26 6.489 5.511 2.420 808 HE ARG 26 HE ARG 26 7.431 4.354 4.666 809 HH11 ARG 26 HH11 ARG 26 6.404 3.309 1.518 810 HH12 ARG 26 HH12 ARG 26 7.519 2.064 1.397 811 HH21 ARG 26 HH21 ARG 26 8.982 2.582 4.499 812 HH22 ARG 26 HH22 ARG 26 8.990 1.627 3.119 813 H LEU 27 H LEU 27 6.160 4.500 7.571 814 HA LEU 27 HA LEU 27 8.242 5.006 8.167 815 HB2 LEU 27 HB3 LEU 27 7.997 6.123 5.836 816 HB3 LEU 27 HB2 LEU 27 7.936 7.654 6.735 817 HG LEU 27 HG LEU 27 10.221 7.080 5.946 818 HD11 LEU 27 HD11 LEU 27 11.399 7.429 8.054 819 HD12 LEU 27 HD12 LEU 27 9.915 8.409 8.033 820 HD13 LEU 27 HD13 LEU 27 9.975 6.897 8.973 821 HD21 LEU 27 HD21 LEU 27 9.911 4.696 7.821 822 HD22 LEU 27 HD22 LEU 27 10.000 4.625 6.044 823 HD23 LEU 27 HD23 LEU 27 11.407 5.175 6.985 824 H THR 28 H THR 28 5.627 6.762 9.487 825 HA THR 28 HA THR 28 7.480 8.558 10.809 826 HB THR 28 HB THR 28 5.499 9.466 11.919 827 HG1 THR 28 HG1 THR 28 3.506 8.488 11.568 828 HG21 THR 28 HG21 THR 28 5.799 10.142 9.553 829 HG22 THR 28 HG22 THR 28 4.831 8.745 9.029 830 HG23 THR 28 HG23 THR 28 4.076 10.048 9.977 831 HA PRO 29 HA PRO 29 8.334 5.959 14.191 832 HB2 PRO 29 HB3 PRO 29 6.794 7.883 15.945 833 HB3 PRO 29 HB2 PRO 29 8.389 7.120 16.249 834 HG2 PRO 29 HG3 PRO 29 8.283 9.664 15.359 835 HG3 PRO 29 HG2 PRO 29 9.460 8.523 14.633 836 HD2 PRO 29 HD3 PRO 29 6.802 9.450 13.522 837 HD3 PRO 29 HD2 PRO 29 8.349 9.146 12.664 838 H GLU 30 H GLU 30 5.002 7.216 14.264 839 HA GLU 30 HA GLU 30 4.162 4.878 15.679 840 HB2 GLU 30 HB3 GLU 30 3.049 7.063 15.976 841 HB3 GLU 30 HB2 GLU 30 2.589 7.069 14.259 842 HG2 GLU 30 HG3 GLU 30 1.285 4.996 14.589 843 HG3 GLU 30 HG2 GLU 30 1.787 4.941 16.295 844 H TRP 31 H TRP 31 3.789 6.119 12.284 845 HA TRP 31 HA TRP 31 2.217 3.969 11.555 846 HB2 TRP 31 HB3 TRP 31 3.754 6.040 10.075 847 HB3 TRP 31 HB2 TRP 31 3.387 4.534 9.205 848 HD1 TRP 31 HD1 TRP 31 1.127 4.540 8.064 849 HE1 TRP 31 HE1 TRP 31 -1.087 5.669 8.364 850 HE3 TRP 31 HE3 TRP 31 2.192 7.046 12.223 851 HZ2 TRP 31 HZ2 TRP 31 -2.203 7.418 10.171 852 HZ3 TRP 31 HZ3 TRP 31 0.485 8.451 13.219 853 HH2 TRP 31 HH2 TRP 31 -1.686 8.637 12.202 854 H ARG 32 H ARG 32 5.772 4.037 11.886 855 HA ARG 32 HA ARG 32 6.275 1.915 10.155 856 HB2 ARG 32 HB3 ARG 32 7.508 2.726 12.823 857 HB3 ARG 32 HB2 ARG 32 8.196 1.488 11.748 858 HG2 ARG 32 HG3 ARG 32 8.593 3.091 9.999 859 HG3 ARG 32 HG2 ARG 32 7.617 4.322 10.822 860 HD2 ARG 32 HD3 ARG 32 9.278 4.059 12.793 861 HD3 ARG 32 HD2 ARG 32 10.332 3.223 11.631 862 HE ARG 32 HE ARG 32 9.513 5.634 10.509 863 HH11 ARG 32 HH11 ARG 32 11.346 4.386 13.192 864 HH12 ARG 32 HH12 ARG 32 12.365 5.717 13.310 865 HH21 ARG 32 HH21 ARG 32 10.912 7.471 10.683 866 HH22 ARG 32 HH22 ARG 32 12.117 7.503 11.853 867 H ARG 33 H ARG 33 5.298 1.938 13.631 868 HA ARG 33 HA ARG 33 5.361 -0.873 13.846 869 HB2 ARG 33 HB3 ARG 33 5.459 0.689 15.777 870 HB3 ARG 33 HB2 ARG 33 3.805 1.237 15.408 871 HG2 ARG 33 HG3 ARG 33 2.958 -1.059 15.742 872 HG3 ARG 33 HG2 ARG 33 4.612 -1.635 16.060 873 HD2 ARG 33 HD3 ARG 33 4.770 -0.137 18.012 874 HD3 ARG 33 HD2 ARG 33 3.120 0.459 17.713 875 HE ARG 33 HE ARG 33 3.614 -2.383 18.181 876 HH11 ARG 33 HH11 ARG 33 2.195 0.692 18.983 877 HH12 ARG 33 HH12 ARG 33 1.161 0.083 20.158 878 HH21 ARG 33 HH21 ARG 33 2.181 -3.225 19.800 879 HH22 ARG 33 HH22 ARG 33 1.153 -2.189 20.632 880 H TYR 34 H TYR 34 2.800 1.519 13.110 881 HA TYR 34 HA TYR 34 0.625 -0.167 13.140 882 HB2 TYR 34 HB3 TYR 34 0.347 2.224 12.869 883 HB3 TYR 34 HB2 TYR 34 1.371 2.219 11.415 884 HD1 TYR 34 HD2 TYR 34 -1.689 0.492 12.617 885 HD2 TYR 34 HD1 TYR 34 0.359 2.254 9.435 886 HE1 TYR 34 HE2 TYR 34 -3.576 0.084 11.172 887 HE2 TYR 34 HE1 TYR 34 -1.529 1.855 7.993 888 HH TYR 34 HH TYR 34 -3.755 1.047 7.739 889 H LEU 35 H LEU 35 2.976 0.465 10.502 890 HA LEU 35 HA LEU 35 1.551 -1.102 8.633 891 HB2 LEU 35 HB3 LEU 35 4.460 -0.197 8.861 892 HB3 LEU 35 HB2 LEU 35 3.770 -0.992 7.425 893 HG LEU 35 HG LEU 35 2.678 1.579 8.643 894 HD11 LEU 35 HD11 LEU 35 3.710 2.695 6.695 895 HD12 LEU 35 HD12 LEU 35 4.950 1.917 7.707 896 HD13 LEU 35 HD13 LEU 35 4.433 1.151 6.185 897 HD21 LEU 35 HD21 LEU 35 1.027 0.241 7.428 898 HD22 LEU 35 HD22 LEU 35 1.459 1.685 6.481 899 HD23 LEU 35 HD23 LEU 35 2.136 0.097 6.044 900 H SER 36 H SER 36 4.509 -1.688 10.606 901 HA SER 36 HA SER 36 5.152 -4.132 9.671 902 HB2 SER 36 HB3 SER 36 5.228 -3.095 12.538 903 HB3 SER 36 HB2 SER 36 6.117 -4.516 11.941 904 HG SER 36 HG SER 36 6.312 -1.838 11.060 905 H GLN 37 H GLN 37 2.627 -3.434 12.134 906 HA GLN 37 HA GLN 37 2.353 -6.051 12.984 907 HB2 GLN 37 HB3 GLN 37 1.371 -4.042 14.077 908 HB3 GLN 37 HB2 GLN 37 0.235 -3.875 12.717 909 HG2 GLN 37 HG3 GLN 37 -0.806 -5.073 14.627 910 HG3 GLN 37 HG2 GLN 37 -0.680 -6.126 13.197 911 HE21 GLN 37 HE21 GLN 37 1.537 -5.161 15.905 912 HE22 GLN 37 HE22 GLN 37 2.002 -6.742 16.233 913 H ARG 38 H ARG 38 0.850 -4.441 10.105 914 HA ARG 38 HA ARG 38 -0.344 -7.085 9.663 915 HB2 ARG 38 HB3 ARG 38 -1.351 -4.323 8.854 916 HB3 ARG 38 HB2 ARG 38 -2.111 -5.872 8.410 917 HG2 ARG 38 HG3 ARG 38 -2.283 -6.429 10.860 918 HG3 ARG 38 HG2 ARG 38 -1.689 -4.794 11.227 919 HD2 ARG 38 HD3 ARG 38 -4.126 -4.794 11.341 920 HD3 ARG 38 HD2 ARG 38 -3.622 -3.857 9.913 921 HE ARG 38 HE ARG 38 -3.999 -6.529 9.192 922 HH11 ARG 38 HH11 ARG 38 -5.729 -3.718 10.292 923 HH12 ARG 38 HH12 ARG 38 -7.157 -4.092 9.489 924 HH21 ARG 38 HH21 ARG 38 -5.971 -7.047 8.088 925 HH22 ARG 38 HH22 ARG 38 -7.298 -6.023 8.208 926 H LEU 39 H LEU 39 2.232 -5.330 8.719 927 HA LEU 39 HA LEU 39 1.783 -5.699 5.876 928 HB2 LEU 39 HB3 LEU 39 2.718 -3.578 6.729 929 HB3 LEU 39 HB2 LEU 39 4.058 -4.468 7.484 930 HG LEU 39 HG LEU 39 4.786 -5.246 5.255 931 HD11 LEU 39 HD11 LEU 39 3.757 -4.271 3.224 932 HD12 LEU 39 HD12 LEU 39 2.562 -5.218 4.141 933 HD13 LEU 39 HD13 LEU 39 2.547 -3.441 4.231 934 HD21 LEU 39 HD21 LEU 39 5.758 -3.136 4.646 935 HD22 LEU 39 HD22 LEU 39 4.335 -2.234 5.228 936 HD23 LEU 39 HD23 LEU 39 5.431 -3.018 6.387 937 H GLY 40 H GLY 40 4.117 -6.726 8.457 938 HA2 GLY 40 HA3 GLY 40 4.356 -9.173 8.396 939 HA3 GLY 40 HA2 GLY 40 4.671 -8.983 6.660 940 H LEU 41 H LEU 41 6.232 -6.334 7.707 941 HA LEU 41 HA LEU 41 8.477 -7.919 8.685 942 HB2 LEU 41 HB3 LEU 41 9.972 -6.316 7.415 943 HB3 LEU 41 HB2 LEU 41 9.099 -7.513 6.439 944 HG LEU 41 HG LEU 41 9.147 -5.102 5.560 945 HD11 LEU 41 HD11 LEU 41 6.886 -5.319 4.679 946 HD12 LEU 41 HD12 LEU 41 7.632 -6.930 4.784 947 HD13 LEU 41 HD13 LEU 41 6.439 -6.421 6.002 948 HD21 LEU 41 HD21 LEU 41 7.027 -4.792 7.734 949 HD22 LEU 41 HD22 LEU 41 8.638 -4.035 7.762 950 HD23 LEU 41 HD23 LEU 41 7.468 -3.583 6.504 951 H ASN 42 H ASN 42 10.206 -6.215 9.657 952 HA ASN 42 HA ASN 42 8.507 -4.787 11.498 953 HB2 ASN 42 HB3 ASN 42 11.393 -5.662 11.532 954 HB3 ASN 42 HB2 ASN 42 10.791 -4.452 12.693 955 HD21 ASN 42 HD21 ASN 42 8.619 -5.105 13.769 956 HD22 ASN 42 HD22 ASN 42 8.499 -6.720 14.230 957 H GLU 43 H GLU 43 9.611 -2.791 12.459 958 HA GLU 43 HA GLU 43 9.227 -0.775 10.652 959 HB2 GLU 43 HB3 GLU 43 10.949 -0.632 13.161 960 HB3 GLU 43 HB2 GLU 43 9.980 0.665 12.425 961 HG2 GLU 43 HG3 GLU 43 8.681 -0.128 14.268 962 HG3 GLU 43 HG2 GLU 43 7.935 -0.873 12.834 963 H GLU 44 H GLU 44 12.182 -2.581 11.393 964 HA GLU 44 HA GLU 44 13.992 -0.716 10.369 965 HB2 GLU 44 HB3 GLU 44 14.645 -2.728 11.656 966 HB3 GLU 44 HB2 GLU 44 14.043 -3.769 10.344 967 HG2 GLU 44 HG3 GLU 44 15.670 -2.780 8.783 968 HG3 GLU 44 HG2 GLU 44 16.235 -1.666 10.051 969 H GLN 45 H GLN 45 11.982 -3.270 8.792 970 HA GLN 45 HA GLN 45 13.305 -2.780 6.321 971 HB2 GLN 45 HB3 GLN 45 10.703 -4.225 6.960 972 HB3 GLN 45 HB2 GLN 45 11.576 -4.290 5.409 973 HG2 GLN 45 HG3 GLN 45 12.650 -5.193 8.117 974 HG3 GLN 45 HG2 GLN 45 12.119 -6.263 6.800 975 HE21 GLN 45 HE21 GLN 45 13.280 -5.534 4.556 976 HE22 GLN 45 HE22 GLN 45 14.938 -5.324 4.725 977 H ILE 46 H ILE 46 10.940 -1.006 8.060 978 HA ILE 46 HA ILE 46 9.546 -0.105 5.711 979 HB ILE 46 HB ILE 46 9.762 1.041 8.539 980 HG12 ILE 46 HG13 ILE 46 8.744 -1.233 8.471 981 HG13 ILE 46 HG12 ILE 46 7.552 0.017 8.904 982 HG21 ILE 46 HG21 ILE 46 7.773 1.601 6.298 983 HG22 ILE 46 HG22 ILE 46 7.751 2.321 7.926 984 HG23 ILE 46 HG23 ILE 46 9.085 2.689 6.806 985 HD11 ILE 46 HD11 ILE 46 6.621 -1.536 7.228 986 HD12 ILE 46 HD12 ILE 46 6.788 0.099 6.544 987 HD13 ILE 46 HD13 ILE 46 7.967 -1.167 6.123 988 H GLU 47 H GLU 47 12.021 1.080 8.016 989 HA GLU 47 HA GLU 47 12.518 3.468 6.626 990 HB2 GLU 47 HB3 GLU 47 14.198 1.779 8.532 991 HB3 GLU 47 HB2 GLU 47 14.610 3.430 8.012 992 HG2 GLU 47 HG3 GLU 47 12.496 4.276 8.965 993 HG3 GLU 47 HG2 GLU 47 12.049 2.626 9.464 994 H ARG 48 H ARG 48 13.882 0.157 6.361 995 HA ARG 48 HA ARG 48 15.983 1.110 4.682 996 HB2 ARG 48 HB3 ARG 48 15.031 -1.534 5.713 997 HB3 ARG 48 HB2 ARG 48 15.937 -1.526 4.182 998 HG2 ARG 48 HG3 ARG 48 17.498 -1.783 6.045 999 HG3 ARG 48 HG2 ARG 48 17.751 -0.215 5.248 1000 HD2 ARG 48 HD3 ARG 48 16.452 0.911 7.020 1001 HD3 ARG 48 HD2 ARG 48 16.136 -0.662 7.793 1002 HE ARG 48 HE ARG 48 18.883 -0.332 7.465 1003 HH11 ARG 48 HH11 ARG 48 16.145 0.903 9.228 1004 HH12 ARG 48 HH12 ARG 48 17.023 1.319 10.599 1005 HH21 ARG 48 HH21 ARG 48 20.088 0.238 9.361 1006 HH22 ARG 48 HH22 ARG 48 19.308 0.932 10.677 1007 H TRP 49 H TRP 49 12.805 -0.588 4.037 1008 HA TRP 49 HA TRP 49 13.325 -0.819 1.314 1009 HB2 TRP 49 HB3 TRP 49 11.315 -1.791 2.463 1010 HB3 TRP 49 HB2 TRP 49 10.651 -0.148 2.622 1011 HD1 TRP 49 HD1 TRP 49 11.319 -2.861 0.035 1012 HE1 TRP 49 HE1 TRP 49 10.242 -2.268 -2.139 1013 HE3 TRP 49 HE3 TRP 49 9.951 1.776 1.192 1014 HZ2 TRP 49 HZ2 TRP 49 8.975 -0.072 -3.200 1015 HZ3 TRP 49 HZ3 TRP 49 8.834 3.120 -0.487 1016 HH2 TRP 49 HH2 TRP 49 8.343 2.205 -2.654 1017 H PHE 50 H PHE 50 12.025 1.883 3.262 1018 HA PHE 50 HA PHE 50 11.270 3.488 1.160 1019 HB2 PHE 50 HB3 PHE 50 10.749 3.816 3.589 1020 HB3 PHE 50 HB2 PHE 50 12.447 4.265 3.856 1021 HD1 PHE 50 HD2 PHE 50 9.602 5.148 1.677 1022 HD2 PHE 50 HD1 PHE 50 12.980 6.482 3.737 1023 HE1 PHE 50 HE2 PHE 50 9.070 7.421 1.076 1024 HE2 PHE 50 HE1 PHE 50 12.453 8.753 3.127 1025 HZ PHE 50 HZ PHE 50 10.499 9.223 1.798 1026 H ARG 51 H ARG 51 14.431 3.765 3.002 1027 HA ARG 51 HA ARG 51 15.158 5.593 0.941 1028 HB2 ARG 51 HB3 ARG 51 17.172 5.971 2.187 1029 HB3 ARG 51 HB2 ARG 51 15.787 5.930 3.293 1030 HG2 ARG 51 HG3 ARG 51 17.179 4.590 4.500 1031 HG3 ARG 51 HG2 ARG 51 16.532 3.322 3.432 1032 HD2 ARG 51 HD3 ARG 51 18.454 3.646 1.903 1033 HD3 ARG 51 HD2 ARG 51 19.059 4.971 2.919 1034 HE ARG 51 HE ARG 51 18.802 2.230 3.916 1035 HH11 ARG 51 HH11 ARG 51 20.489 5.236 3.422 1036 HH12 ARG 51 HH12 ARG 51 21.832 4.809 4.337 1037 HH21 ARG 51 HH21 ARG 51 20.657 1.646 5.180 1038 HH22 ARG 51 HH22 ARG 51 21.929 2.730 5.355 1039 H ARG 52 H ARG 52 16.056 2.172 1.668 1040 HA ARG 52 HA ARG 52 18.071 2.155 -0.272 1041 HB2 ARG 52 HB3 ARG 52 16.281 -0.106 0.705 1042 HB3 ARG 52 HB2 ARG 52 17.737 -0.313 -0.286 1043 HG2 ARG 52 HG3 ARG 52 17.879 1.185 2.345 1044 HG3 ARG 52 HG2 ARG 52 17.942 -0.592 2.292 1045 HD2 ARG 52 HD3 ARG 52 20.222 0.227 2.221 1046 HD3 ARG 52 HD2 ARG 52 19.814 -0.441 0.624 1047 HE ARG 52 HE ARG 52 19.301 2.347 0.824 1048 HH11 ARG 52 HH11 ARG 52 21.709 -0.124 0.372 1049 HH12 ARG 52 HH12 ARG 52 22.758 0.844 -0.513 1050 HH21 ARG 52 HH21 ARG 52 20.744 3.680 -0.404 1051 HH22 ARG 52 HH22 ARG 52 22.199 3.053 -0.964 1052 H LYS 53 H LYS 53 14.737 2.696 -0.899 1053 HA LYS 53 HA LYS 53 14.998 1.100 -3.318 1054 HB2 LYS 53 HB3 LYS 53 12.855 0.980 -2.001 1055 HB3 LYS 53 HB2 LYS 53 12.632 2.724 -2.285 1056 HG2 LYS 53 HG3 LYS 53 11.380 1.613 -4.001 1057 HG3 LYS 53 HG2 LYS 53 12.876 2.168 -4.796 1058 HD2 LYS 53 HD3 LYS 53 13.868 -0.059 -4.566 1059 HD3 LYS 53 HD2 LYS 53 12.482 -0.604 -3.592 1060 HE2 LYS 53 HE3 LYS 53 12.144 -1.429 -5.839 1061 HE3 LYS 53 HE2 LYS 53 10.987 -0.104 -5.571 1062 HZ1 LYS 53 HZ1 LYS 53 13.576 0.078 -6.963 1063 HZ2 LYS 53 HZ2 LYS 53 12.064 0.133 -7.669 1064 HZ3 LYS 53 HZ3 LYS 53 12.559 1.365 -6.658 1065 H GLU 54 H GLU 54 14.077 4.462 -2.324 1066 HA GLU 54 HA GLU 54 14.464 5.417 -4.935 1067 HB2 GLU 54 HB3 GLU 54 14.323 7.631 -3.879 1068 HB3 GLU 54 HB2 GLU 54 13.091 6.548 -3.187 1069 HG2 GLU 54 HG3 GLU 54 14.592 6.092 -1.258 1070 HG3 GLU 54 HG2 GLU 54 15.805 7.190 -1.953 1071 H GLN 55 H GLN 55 16.799 4.680 -2.383 1072 HA GLN 55 HA GLN 55 18.665 6.494 -3.652 1073 HB2 GLN 55 HB3 GLN 55 18.972 4.579 -1.299 1074 HB3 GLN 55 HB2 GLN 55 20.240 5.668 -1.900 1075 HG2 GLN 55 HG3 GLN 55 17.516 6.585 -0.876 1076 HG3 GLN 55 HG2 GLN 55 19.029 6.614 0.058 1077 HE21 GLN 55 HE21 GLN 55 17.074 8.657 -1.638 1078 HE22 GLN 55 HE22 GLN 55 18.248 9.705 -2.224 1079 H GLN 56 H GLN 56 17.503 3.451 -4.395 1080 HA GLN 56 HA GLN 56 19.934 2.107 -4.844 1081 HB2 GLN 56 HB3 GLN 56 17.689 1.017 -4.786 1082 HB3 GLN 56 HB2 GLN 56 17.244 1.894 -6.269 1083 HG2 GLN 56 HG3 GLN 56 18.006 -0.385 -6.814 1084 HG3 GLN 56 HG2 GLN 56 19.154 0.814 -7.457 1085 HE21 GLN 56 HE21 GLN 56 21.259 0.164 -7.111 1086 HE22 GLN 56 HE22 GLN 56 21.783 -0.648 -5.736 1087 H ILE 57 H ILE 57 17.880 4.293 -6.884 1088 HA ILE 57 HA ILE 57 20.014 4.008 -8.820 1089 HB ILE 57 HB ILE 57 18.489 4.272 -10.460 1090 HG12 ILE 57 HG13 ILE 57 16.556 5.961 -10.188 1091 HG13 ILE 57 HG12 ILE 57 17.394 6.513 -8.721 1092 HG21 ILE 57 HG21 ILE 57 16.190 3.646 -9.803 1093 HG22 ILE 57 HG22 ILE 57 17.384 2.676 -8.909 1094 HG23 ILE 57 HG23 ILE 57 16.562 4.035 -8.106 1095 HD11 ILE 57 HD11 ILE 57 18.054 7.847 -10.726 1096 HD12 ILE 57 HD12 ILE 57 19.439 6.929 -10.100 1097 HD13 ILE 57 HD13 ILE 57 18.571 6.354 -11.541 1098 H GLY 58 H GLY 58 18.904 6.380 -6.453 1099 HA2 GLY 58 HA3 GLY 58 20.771 8.087 -6.426 1100 HA3 GLY 58 HA2 GLY 58 20.353 8.292 -8.134 1101 H TRP 59 H TRP 59 17.703 7.800 -5.860 1102 HA TRP 59 HA TRP 59 16.269 9.188 -4.906 1103 HB2 TRP 59 HB3 TRP 59 18.208 10.466 -4.085 1104 HB3 TRP 59 HB2 TRP 59 18.223 11.402 -5.597 1105 HD1 TRP 59 HD1 TRP 59 15.793 10.746 -2.653 1106 HE1 TRP 59 HE1 TRP 59 14.341 12.768 -2.392 1107 HE3 TRP 59 HE3 TRP 59 17.461 13.296 -6.581 1108 HZ2 TRP 59 HZ2 TRP 59 13.982 15.157 -3.727 1109 HZ3 TRP 59 HZ3 TRP 59 16.519 15.483 -7.050 1110 HH2 TRP 59 HH2 TRP 59 14.800 16.398 -5.642 1111 H SER 60 H SER 60 16.410 8.849 -8.094 1112 HA SER 60 HA SER 60 14.634 11.143 -8.478 1113 HB2 SER 60 HB3 SER 60 14.795 10.673 -10.876 1114 HB3 SER 60 HB2 SER 60 16.422 10.867 -10.184 1115 HG SER 60 HG SER 60 16.523 8.618 -10.003 1116 H HIS 61 H HIS 61 14.525 8.238 -7.236 1117 HA HIS 61 HA HIS 61 13.180 6.522 -7.084 1118 HB2 HIS 61 HB3 HIS 61 10.966 7.213 -6.332 1119 HB3 HIS 61 HB2 HIS 61 12.234 8.287 -5.709 1120 HD1 HIS 61 HD1 HIS 61 11.954 10.735 -6.288 1121 HD2 HIS 61 HD2 HIS 61 9.575 8.280 -8.538 1122 HE1 HIS 61 HE1 HIS 61 10.440 12.197 -7.641 1123 HE2 HIS 61 HE2 HIS 61 8.995 10.679 -9.010 1124 HA PRO 62 HA PRO 62 10.920 6.002 -11.031 1125 HB2 PRO 62 HB3 PRO 62 12.637 4.558 -12.555 1126 HB3 PRO 62 HB2 PRO 62 12.811 6.347 -12.500 1127 HG2 PRO 62 HG3 PRO 62 14.335 4.265 -10.899 1128 HG3 PRO 62 HG2 PRO 62 14.991 5.656 -11.822 1129 HD2 PRO 62 HD3 PRO 62 14.498 5.724 -9.091 1130 HD3 PRO 62 HD2 PRO 62 14.386 7.172 -10.146 1131 H GLN 63 H GLN 63 10.474 4.815 -8.755 1132 HA GLN 63 HA GLN 63 11.848 2.415 -8.311 1133 HB2 GLN 63 HB3 GLN 63 9.248 3.568 -7.218 1134 HB3 GLN 63 HB2 GLN 63 10.094 2.151 -6.549 1135 HG2 GLN 63 HG3 GLN 63 12.109 3.510 -6.147 1136 HG3 GLN 63 HG2 GLN 63 11.311 4.926 -6.863 1137 HE21 GLN 63 HE21 GLN 63 8.870 3.265 -5.319 1138 HE22 GLN 63 HE22 GLN 63 8.943 4.052 -3.837 1139 H PHE 64 H PHE 64 8.375 2.910 -9.270 1140 HA PHE 64 HA PHE 64 8.580 0.152 -10.197 1141 HB2 PHE 64 HB3 PHE 64 6.207 1.651 -9.047 1142 HB3 PHE 64 HB2 PHE 64 6.061 0.122 -9.944 1143 HD1 PHE 64 HD1 PHE 64 7.971 1.582 -7.138 1144 HD2 PHE 64 HD2 PHE 64 6.224 -1.821 -8.799 1145 HE1 PHE 64 HE1 PHE 64 8.583 0.316 -5.185 1146 HE2 PHE 64 HE2 PHE 64 6.807 -3.083 -6.831 1147 HZ PHE 64 HZ PHE 64 7.997 -2.016 -5.025 1148 H GLU 65 H GLU 65 6.791 -0.321 -11.814 1149 HA GLU 65 HA GLU 65 7.425 1.045 -14.149 1150 HB2 GLU 65 HB3 GLU 65 5.805 -0.555 -15.124 1151 HB3 GLU 65 HB2 GLU 65 6.880 -1.365 -13.958 1152 HG2 GLU 65 HG3 GLU 65 5.087 -0.945 -12.188 1153 HG3 GLU 65 HG2 GLU 65 4.013 -0.440 -13.514 1154 H LYS 66 H LYS 66 6.264 3.162 -12.602 1155 HA LYS 66 HA LYS 66 3.549 3.448 -12.824 1156 HB2 LYS 66 HB3 LYS 66 5.785 5.501 -13.154 1157 HB3 LYS 66 HB2 LYS 66 4.069 5.909 -12.926 1158 HG2 LYS 66 HG3 LYS 66 5.752 4.269 -10.978 1159 HG3 LYS 66 HG2 LYS 66 5.345 5.992 -10.789 1160 HD2 LYS 66 HD3 LYS 66 2.914 5.378 -10.877 1161 HD3 LYS 66 HD2 LYS 66 3.381 3.663 -10.893 1162 HE2 LYS 66 HE3 LYS 66 4.099 5.684 -8.713 1163 HE3 LYS 66 HE2 LYS 66 2.833 4.438 -8.598 1164 HZ1 LYS 66 HZ1 LYS 66 4.769 3.607 -7.602 1165 HZ2 LYS 66 HZ2 LYS 66 4.581 2.805 -9.050 1166 HZ3 LYS 66 HZ3 LYS 66 5.724 4.013 -8.915 Start of MODEL 8 1 H1 MET 1 H1 MET 1 -5.651 -16.787 3.479 2 H2 MET 1 H2 MET 1 -7.033 -17.072 4.369 3 H3 MET 1 H3 MET 1 -5.617 -16.642 5.142 4 HA MET 1 HA MET 1 -7.102 -14.933 3.260 5 HB2 MET 1 HB3 MET 1 -8.278 -15.410 5.436 6 HB3 MET 1 HB2 MET 1 -6.842 -14.813 6.297 7 HG2 MET 1 HG3 MET 1 -8.424 -12.997 6.188 8 HG3 MET 1 HG2 MET 1 -7.119 -12.621 5.039 9 HE1 MET 1 HE1 MET 1 -10.201 -11.072 3.548 10 HE2 MET 1 HE2 MET 1 -9.847 -11.341 5.271 11 HE3 MET 1 HE3 MET 1 -8.536 -10.899 4.153 12 H GLU 2 H GLU 2 -4.522 -15.130 2.577 13 HA GLU 2 HA GLU 2 -3.415 -12.757 3.868 14 HB2 GLU 2 HB3 GLU 2 -1.182 -13.813 3.843 15 HB3 GLU 2 HB2 GLU 2 -2.307 -14.744 4.862 16 HG2 GLU 2 HG3 GLU 2 -1.760 -15.399 1.932 17 HG3 GLU 2 HG2 GLU 2 -0.874 -16.138 3.287 18 H LYS 3 H LYS 3 -4.351 -14.299 0.992 19 HA LYS 3 HA LYS 3 -2.650 -12.403 -0.425 20 HB2 LYS 3 HB3 LYS 3 -2.096 -14.170 -2.076 21 HB3 LYS 3 HB2 LYS 3 -1.538 -14.634 -0.449 22 HG2 LYS 3 HG3 LYS 3 -3.711 -15.891 -0.150 23 HG3 LYS 3 HG2 LYS 3 -4.072 -15.579 -1.864 24 HD2 LYS 3 HD3 LYS 3 -1.542 -16.961 -0.858 25 HD3 LYS 3 HD2 LYS 3 -2.992 -17.823 -1.426 26 HE2 LYS 3 HE3 LYS 3 -2.802 -16.691 -3.627 27 HE3 LYS 3 HE2 LYS 3 -1.330 -15.860 -3.065 28 HZ1 LYS 3 HZ1 LYS 3 -1.707 -18.774 -3.237 29 HZ2 LYS 3 HZ2 LYS 3 -0.822 -17.840 -4.300 30 HZ3 LYS 3 HZ3 LYS 3 -0.327 -17.995 -2.713 31 H ARG 4 H ARG 4 -3.446 -12.501 -2.870 32 HA ARG 4 HA ARG 4 -6.205 -11.868 -2.816 33 HB2 ARG 4 HB3 ARG 4 -4.676 -10.613 -4.143 34 HB3 ARG 4 HB2 ARG 4 -3.970 -12.066 -4.865 35 HG2 ARG 4 HG3 ARG 4 -6.878 -11.339 -5.353 36 HG3 ARG 4 HG2 ARG 4 -5.547 -10.653 -6.320 37 HD2 ARG 4 HD3 ARG 4 -4.709 -13.105 -6.537 38 HD3 ARG 4 HD2 ARG 4 -6.359 -13.559 -6.058 39 HE ARG 4 HE ARG 4 -6.353 -11.656 -8.151 40 HH11 ARG 4 HH11 ARG 4 -5.802 -14.991 -7.318 41 HH12 ARG 4 HH12 ARG 4 -6.078 -15.588 -8.865 42 HH21 ARG 4 HH21 ARG 4 -6.739 -12.493 -10.300 43 HH22 ARG 4 HH22 ARG 4 -6.630 -14.146 -10.586 44 HA PRO 5 HA PRO 5 -7.022 -16.094 -3.981 45 HB2 PRO 5 HB3 PRO 5 -9.673 -16.221 -3.310 46 HB3 PRO 5 HB2 PRO 5 -8.363 -16.261 -2.087 47 HG2 PRO 5 HG3 PRO 5 -10.102 -13.935 -2.908 48 HG3 PRO 5 HG2 PRO 5 -9.543 -14.396 -1.277 49 HD2 PRO 5 HD3 PRO 5 -8.346 -12.436 -2.898 50 HD3 PRO 5 HD2 PRO 5 -7.532 -13.297 -1.557 51 H ARG 6 H ARG 6 -9.765 -13.870 -4.637 52 HA ARG 6 HA ARG 6 -9.528 -14.731 -7.422 53 HB2 ARG 6 HB3 ARG 6 -12.029 -14.572 -5.678 54 HB3 ARG 6 HB2 ARG 6 -12.019 -14.885 -7.428 55 HG2 ARG 6 HG3 ARG 6 -10.725 -16.949 -7.081 56 HG3 ARG 6 HG2 ARG 6 -10.640 -16.622 -5.334 57 HD2 ARG 6 HD3 ARG 6 -12.424 -18.245 -5.834 58 HD3 ARG 6 HD2 ARG 6 -13.107 -16.738 -5.179 59 HE ARG 6 HE ARG 6 -13.027 -17.326 -8.050 60 HH11 ARG 6 HH11 ARG 6 -14.566 -16.242 -5.119 61 HH12 ARG 6 HH12 ARG 6 -16.000 -15.781 -5.862 62 HH21 ARG 6 HH21 ARG 6 -15.005 -16.684 -9.071 63 HH22 ARG 6 HH22 ARG 6 -16.255 -16.036 -8.154 64 H THR 7 H THR 7 -8.503 -12.378 -7.254 65 HA THR 7 HA THR 7 -8.660 -10.132 -7.342 66 HB THR 7 HB THR 7 -10.163 -9.392 -9.151 67 HG1 THR 7 HG1 THR 7 -11.898 -10.708 -8.495 68 HG21 THR 7 HG21 THR 7 -8.901 -12.113 -9.696 69 HG22 THR 7 HG22 THR 7 -9.353 -10.916 -10.932 70 HG23 THR 7 HG23 THR 7 -8.062 -10.545 -9.767 71 H GLU 8 H GLU 8 -9.916 -10.759 -4.911 72 HA GLU 8 HA GLU 8 -12.149 -8.871 -5.090 73 HB2 GLU 8 HB3 GLU 8 -13.221 -10.162 -3.253 74 HB3 GLU 8 HB2 GLU 8 -13.063 -11.103 -4.753 75 HG2 GLU 8 HG3 GLU 8 -11.018 -12.184 -3.858 76 HG3 GLU 8 HG2 GLU 8 -11.189 -11.251 -2.351 77 H PHE 9 H PHE 9 -9.159 -8.887 -4.346 78 HA PHE 9 HA PHE 9 -7.743 -8.093 -2.917 79 HB2 PHE 9 HB3 PHE 9 -8.209 -6.016 -1.825 80 HB3 PHE 9 HB2 PHE 9 -8.861 -6.032 -3.469 81 HD1 PHE 9 HD2 PHE 9 -9.847 -6.462 0.040 82 HD2 PHE 9 HD1 PHE 9 -11.077 -5.543 -3.837 83 HE1 PHE 9 HE2 PHE 9 -12.005 -5.798 0.882 84 HE2 PHE 9 HE1 PHE 9 -13.237 -4.885 -2.999 85 HZ PHE 9 HZ PHE 9 -13.701 -5.008 -0.637 86 H SER 10 H SER 10 -6.838 -8.882 -1.154 87 HA SER 10 HA SER 10 -8.692 -9.954 0.833 88 HB2 SER 10 HB3 SER 10 -6.962 -11.462 -0.230 89 HB3 SER 10 HB2 SER 10 -5.703 -10.453 0.523 90 HG SER 10 HG SER 10 -7.796 -11.890 1.776 91 H GLU 11 H GLU 11 -7.214 -9.964 3.126 92 HA GLU 11 HA GLU 11 -7.387 -7.258 3.831 93 HB2 GLU 11 HB3 GLU 11 -6.515 -7.953 6.002 94 HB3 GLU 11 HB2 GLU 11 -7.726 -9.131 5.444 95 HG2 GLU 11 HG3 GLU 11 -5.911 -10.608 4.622 96 HG3 GLU 11 HG2 GLU 11 -4.699 -9.424 5.170 97 H GLU 12 H GLU 12 -4.811 -9.123 2.427 98 HA GLU 12 HA GLU 12 -2.672 -7.573 3.383 99 HB2 GLU 12 HB3 GLU 12 -2.564 -9.806 2.199 100 HB3 GLU 12 HB2 GLU 12 -3.064 -8.985 0.703 101 HG2 GLU 12 HG3 GLU 12 -0.629 -9.204 0.744 102 HG3 GLU 12 HG2 GLU 12 -1.054 -7.484 0.921 103 H GLN 13 H GLN 13 -4.935 -7.352 0.644 104 HA GLN 13 HA GLN 13 -3.544 -5.048 -0.373 105 HB2 GLN 13 HB3 GLN 13 -6.008 -6.639 -1.237 106 HB3 GLN 13 HB2 GLN 13 -5.192 -5.396 -2.228 107 HG2 GLN 13 HG3 GLN 13 -3.148 -6.687 -2.293 108 HG3 GLN 13 HG2 GLN 13 -3.742 -7.805 -1.046 109 HE21 GLN 13 HE21 GLN 13 -3.279 -7.577 -4.374 110 HE22 GLN 13 HE22 GLN 13 -4.441 -8.702 -4.822 111 H LYS 14 H LYS 14 -6.159 -5.720 1.809 112 HA LYS 14 HA LYS 14 -7.618 -3.339 1.318 113 HB2 LYS 14 HB3 LYS 14 -7.298 -5.207 3.697 114 HB3 LYS 14 HB2 LYS 14 -8.266 -3.718 3.793 115 HG2 LYS 14 HG3 LYS 14 -9.724 -4.446 2.014 116 HG3 LYS 14 HG2 LYS 14 -8.688 -5.843 1.658 117 HD2 LYS 14 HD3 LYS 14 -10.748 -6.419 2.989 118 HD3 LYS 14 HD2 LYS 14 -9.236 -6.876 3.794 119 HE2 LYS 14 HE3 LYS 14 -9.323 -4.778 5.129 120 HE3 LYS 14 HE2 LYS 14 -10.869 -4.369 4.350 121 HZ1 LYS 14 HZ1 LYS 14 -10.336 -6.776 5.948 122 HZ2 LYS 14 HZ2 LYS 14 -11.192 -5.436 6.454 123 HZ3 LYS 14 HZ3 LYS 14 -11.785 -6.387 5.217 124 H LYS 15 H LYS 15 -4.967 -4.321 3.513 125 HA LYS 15 HA LYS 15 -4.573 -1.814 4.667 126 HB2 LYS 15 HB3 LYS 15 -2.589 -4.028 3.994 127 HB3 LYS 15 HB2 LYS 15 -2.280 -2.669 5.096 128 HG2 LYS 15 HG3 LYS 15 -4.146 -3.409 6.540 129 HG3 LYS 15 HG2 LYS 15 -4.440 -4.796 5.464 130 HD2 LYS 15 HD3 LYS 15 -1.763 -4.220 6.816 131 HD3 LYS 15 HD2 LYS 15 -3.001 -5.309 7.485 132 HE2 LYS 15 HE3 LYS 15 -1.358 -6.618 6.253 133 HE3 LYS 15 HE2 LYS 15 -2.911 -6.673 5.391 134 HZ1 LYS 15 HZ1 LYS 15 -2.108 -5.260 3.777 135 HZ2 LYS 15 HZ2 LYS 15 -0.879 -4.666 4.748 136 HZ3 LYS 15 HZ3 LYS 15 -0.783 -6.204 4.116 137 H ALA 16 H ALA 16 -3.057 -3.353 1.766 138 HA ALA 16 HA ALA 16 -1.195 -1.447 1.254 139 HB1 ALA 16 HB1 ALA 16 -1.467 -3.574 0.012 140 HB2 ALA 16 HB2 ALA 16 -2.946 -2.937 -0.745 141 HB3 ALA 16 HB3 ALA 16 -1.373 -2.182 -1.093 142 H LEU 17 H LEU 17 -4.655 -1.360 0.082 143 HA LEU 17 HA LEU 17 -4.110 1.047 -1.277 144 HB2 LEU 17 HB3 LEU 17 -6.559 -0.491 -0.491 145 HB3 LEU 17 HB2 LEU 17 -6.754 1.222 -0.931 146 HG LEU 17 HG LEU 17 -5.650 0.850 -3.078 147 HD11 LEU 17 HD11 LEU 17 -4.073 -0.917 -2.334 148 HD12 LEU 17 HD12 LEU 17 -5.433 -2.057 -2.187 149 HD13 LEU 17 HD13 LEU 17 -4.978 -1.416 -3.783 150 HD21 LEU 17 HD21 LEU 17 -7.332 -0.634 -4.120 151 HD22 LEU 17 HD22 LEU 17 -7.771 -1.270 -2.517 152 HD23 LEU 17 HD23 LEU 17 -8.092 0.435 -2.917 153 H ASP 18 H ASP 18 -4.683 0.410 2.144 154 HA ASP 18 HA ASP 18 -5.781 2.952 2.645 155 HB2 ASP 18 HB3 ASP 18 -5.940 1.035 4.236 156 HB3 ASP 18 HB2 ASP 18 -4.185 1.154 4.514 157 H LEU 19 H LEU 19 -2.602 2.093 1.632 158 HA LEU 19 HA LEU 19 -1.416 4.151 3.258 159 HB2 LEU 19 HB3 LEU 19 -0.437 2.313 1.038 160 HB3 LEU 19 HB2 LEU 19 0.544 3.669 1.630 161 HG LEU 19 HG LEU 19 0.348 2.748 3.955 162 HD11 LEU 19 HD11 LEU 19 -1.728 1.465 3.667 163 HD12 LEU 19 HD12 LEU 19 -0.918 0.399 2.494 164 HD13 LEU 19 HD13 LEU 19 -0.411 0.396 4.198 165 HD21 LEU 19 HD21 LEU 19 2.307 2.248 2.486 166 HD22 LEU 19 HD22 LEU 19 1.942 0.904 3.595 167 HD23 LEU 19 HD23 LEU 19 1.457 0.802 1.888 168 H ALA 20 H ALA 20 -3.329 4.177 0.381 169 HA ALA 20 HA ALA 20 -1.677 6.380 -0.578 170 HB1 ALA 20 HB1 ALA 20 -3.000 6.134 -2.663 171 HB2 ALA 20 HB2 ALA 20 -2.250 4.590 -2.199 172 HB3 ALA 20 HB3 ALA 20 -3.978 4.867 -1.890 173 H PHE 21 H PHE 21 -5.234 5.748 -0.504 174 HA PHE 21 HA PHE 21 -6.783 7.424 -0.752 175 HB2 PHE 21 HB3 PHE 21 -5.769 7.301 2.089 176 HB3 PHE 21 HB2 PHE 21 -7.153 8.322 1.608 177 HD1 PHE 21 HD1 PHE 21 -5.895 4.880 1.115 178 HD2 PHE 21 HD2 PHE 21 -9.207 7.383 1.520 179 HE1 PHE 21 HE1 PHE 21 -7.361 2.969 0.959 180 HE2 PHE 21 HE2 PHE 21 -10.667 5.471 1.371 181 HZ PHE 21 HZ PHE 21 -9.747 3.269 1.070 182 H TYR 22 H TYR 22 -5.589 9.588 1.622 183 HA TYR 22 HA TYR 22 -5.025 11.750 1.395 184 HB2 TYR 22 HB3 TYR 22 -2.986 10.617 0.364 185 HB3 TYR 22 HB2 TYR 22 -3.714 10.930 -1.225 186 HD1 TYR 22 HD1 TYR 22 -3.178 12.795 1.921 187 HD2 TYR 22 HD2 TYR 22 -2.886 12.792 -2.242 188 HE1 TYR 22 HE1 TYR 22 -2.242 15.015 1.986 189 HE2 TYR 22 HE2 TYR 22 -1.946 15.010 -2.178 190 HH TYR 22 HH TYR 22 -1.264 16.889 -0.883 191 H PHE 23 H PHE 23 -4.957 12.424 -1.886 192 HA PHE 23 HA PHE 23 -7.883 12.591 -1.864 193 HB2 PHE 23 HB3 PHE 23 -5.843 14.571 -2.974 194 HB3 PHE 23 HB2 PHE 23 -7.610 14.720 -3.144 195 HD1 PHE 23 HD1 PHE 23 -8.909 14.578 -0.907 196 HD2 PHE 23 HD2 PHE 23 -4.858 15.546 -1.171 197 HE1 PHE 23 HE1 PHE 23 -9.010 15.593 1.277 198 HE2 PHE 23 HE2 PHE 23 -4.956 16.558 1.014 199 HZ PHE 23 HZ PHE 23 -7.031 16.574 2.241 200 H ASP 24 H ASP 24 -5.049 12.946 -4.111 201 HA ASP 24 HA ASP 24 -6.437 10.909 -5.694 202 HB2 ASP 24 HB3 ASP 24 -4.883 13.350 -6.675 203 HB3 ASP 24 HB2 ASP 24 -5.497 12.044 -7.715 204 H ARG 25 H ARG 25 -4.581 10.076 -3.793 205 HA ARG 25 HA ARG 25 -1.957 10.215 -4.844 206 HB2 ARG 25 HB3 ARG 25 -2.520 9.818 -2.428 207 HB3 ARG 25 HB2 ARG 25 -3.145 8.216 -2.882 208 HG2 ARG 25 HG3 ARG 25 -0.869 7.914 -2.151 209 HG3 ARG 25 HG2 ARG 25 -0.843 7.759 -3.925 210 HD2 ARG 25 HD3 ARG 25 -0.357 10.418 -2.526 211 HD3 ARG 25 HD2 ARG 25 0.963 9.263 -2.830 212 HE ARG 25 HE ARG 25 -0.351 9.556 -5.211 213 HH11 ARG 25 HH11 ARG 25 1.336 11.537 -2.893 214 HH12 ARG 25 HH12 ARG 25 1.920 12.630 -4.027 215 HH21 ARG 25 HH21 ARG 25 0.456 11.076 -6.769 216 HH22 ARG 25 HH22 ARG 25 1.412 12.364 -6.268 217 H ARG 26 H ARG 26 -4.190 7.377 -4.528 218 HA ARG 26 HA ARG 26 -3.099 6.572 -7.122 219 HB2 ARG 26 HB3 ARG 26 -3.781 4.752 -4.774 220 HB3 ARG 26 HB2 ARG 26 -3.211 4.223 -6.368 221 HG2 ARG 26 HG3 ARG 26 -1.616 5.972 -4.453 222 HG3 ARG 26 HG2 ARG 26 -1.447 4.216 -4.604 223 HD2 ARG 26 HD3 ARG 26 -0.885 4.509 -7.021 224 HD3 ARG 26 HD2 ARG 26 -0.894 6.274 -6.787 225 HE ARG 26 HE ARG 26 0.828 4.530 -5.183 226 HH11 ARG 26 HH11 ARG 26 0.267 7.194 -7.345 227 HH12 ARG 26 HH12 ARG 26 1.862 7.724 -7.353 228 HH21 ARG 26 HH21 ARG 26 3.040 5.267 -5.184 229 HH22 ARG 26 HH22 ARG 26 3.458 6.618 -6.091 230 H LEU 27 H LEU 27 -5.480 7.863 -7.396 231 HA LEU 27 HA LEU 27 -7.355 5.621 -7.223 232 HB2 LEU 27 HB3 LEU 27 -7.526 7.248 -5.305 233 HB3 LEU 27 HB2 LEU 27 -7.998 8.501 -6.472 234 HG LEU 27 HG LEU 27 -9.884 7.225 -5.260 235 HD11 LEU 27 HD11 LEU 27 -9.888 7.151 -8.303 236 HD12 LEU 27 HD12 LEU 27 -11.312 7.175 -7.240 237 HD13 LEU 27 HD13 LEU 27 -10.233 8.588 -7.311 238 HD21 LEU 27 HD21 LEU 27 -9.010 5.078 -7.245 239 HD22 LEU 27 HD22 LEU 27 -8.864 4.974 -5.473 240 HD23 LEU 27 HD23 LEU 27 -10.474 5.025 -6.233 241 H THR 28 H THR 28 -5.866 7.598 -9.438 242 HA THR 28 HA THR 28 -8.415 8.055 -10.787 243 HB THR 28 HB THR 28 -7.168 9.594 -12.221 244 HG1 THR 28 HG1 THR 28 -4.950 9.834 -11.898 245 HG21 THR 28 HG21 THR 28 -6.292 11.166 -10.525 246 HG22 THR 28 HG22 THR 28 -7.818 10.429 -9.981 247 HG23 THR 28 HG23 THR 28 -6.268 9.856 -9.320 248 HA PRO 29 HA PRO 29 -7.941 4.812 -13.591 249 HB2 PRO 29 HB3 PRO 29 -7.189 6.753 -15.784 250 HB3 PRO 29 HB2 PRO 29 -8.328 5.368 -15.853 251 HG2 PRO 29 HG3 PRO 29 -9.302 7.864 -15.548 252 HG3 PRO 29 HG2 PRO 29 -9.949 6.537 -14.531 253 HD2 PRO 29 HD3 PRO 29 -7.927 8.662 -13.792 254 HD3 PRO 29 HD2 PRO 29 -9.274 7.993 -12.812 255 H GLU 30 H GLU 30 -5.269 7.169 -14.029 256 HA GLU 30 HA GLU 30 -3.675 5.048 -15.064 257 HB2 GLU 30 HB3 GLU 30 -2.938 7.832 -14.073 258 HB3 GLU 30 HB2 GLU 30 -1.850 6.729 -14.951 259 HG2 GLU 30 HG3 GLU 30 -4.531 7.728 -16.017 260 HG3 GLU 30 HG2 GLU 30 -2.949 8.422 -16.446 261 H TRP 31 H TRP 31 -4.640 5.841 -11.873 262 HA TRP 31 HA TRP 31 -2.225 4.495 -10.950 263 HB2 TRP 31 HB3 TRP 31 -4.203 6.228 -9.426 264 HB3 TRP 31 HB2 TRP 31 -2.844 5.342 -8.694 265 HD1 TRP 31 HD1 TRP 31 -3.577 8.670 -10.022 266 HE1 TRP 31 HE1 TRP 31 -1.489 9.924 -10.602 267 HE3 TRP 31 HE3 TRP 31 -0.423 4.841 -9.870 268 HZ2 TRP 31 HZ2 TRP 31 1.179 9.306 -10.955 269 HZ3 TRP 31 HZ3 TRP 31 1.926 5.222 -10.357 270 HH2 TRP 31 HH2 TRP 31 2.714 7.429 -10.893 271 H ARG 32 H ARG 32 -5.451 3.963 -11.781 272 HA ARG 32 HA ARG 32 -5.894 2.013 -9.684 273 HB2 ARG 32 HB3 ARG 32 -7.354 2.678 -12.285 274 HB3 ARG 32 HB2 ARG 32 -7.875 1.427 -11.135 275 HG2 ARG 32 HG3 ARG 32 -8.279 3.066 -9.408 276 HG3 ARG 32 HG2 ARG 32 -7.498 4.344 -10.359 277 HD2 ARG 32 HD3 ARG 32 -9.251 3.912 -12.166 278 HD3 ARG 32 HD2 ARG 32 -10.106 2.901 -10.980 279 HE ARG 32 HE ARG 32 -9.558 5.400 -9.851 280 HH11 ARG 32 HH11 ARG 32 -11.418 3.873 -12.367 281 HH12 ARG 32 HH12 ARG 32 -12.658 5.007 -12.348 282 HH21 ARG 32 HH21 ARG 32 -11.269 6.955 -9.821 283 HH22 ARG 32 HH22 ARG 32 -12.575 6.793 -10.867 284 H ARG 33 H ARG 33 -5.224 2.232 -13.190 285 HA ARG 33 HA ARG 33 -4.845 -0.475 -13.672 286 HB2 ARG 33 HB3 ARG 33 -5.046 1.290 -15.403 287 HB3 ARG 33 HB2 ARG 33 -3.494 1.983 -14.876 288 HG2 ARG 33 HG3 ARG 33 -2.338 -0.115 -15.462 289 HG3 ARG 33 HG2 ARG 33 -3.888 -0.850 -15.941 290 HD2 ARG 33 HD3 ARG 33 -4.178 0.867 -17.691 291 HD3 ARG 33 HD2 ARG 33 -2.656 1.645 -17.196 292 HE ARG 33 HE ARG 33 -2.159 -1.036 -17.758 293 HH11 ARG 33 HH11 ARG 33 -3.130 1.943 -19.274 294 HH12 ARG 33 HH12 ARG 33 -2.442 1.589 -20.765 295 HH21 ARG 33 HH21 ARG 33 -1.207 -1.523 -19.819 296 HH22 ARG 33 HH22 ARG 33 -1.327 -0.421 -21.081 297 H TYR 34 H TYR 34 -2.605 2.086 -12.589 298 HA TYR 34 HA TYR 34 -0.227 0.761 -12.640 299 HB2 TYR 34 HB3 TYR 34 -0.488 3.119 -12.018 300 HB3 TYR 34 HB2 TYR 34 -1.453 2.651 -10.600 301 HD1 TYR 34 HD1 TYR 34 1.913 2.030 -12.031 302 HD2 TYR 34 HD2 TYR 34 -0.457 2.479 -8.624 303 HE1 TYR 34 HE1 TYR 34 3.886 1.952 -10.645 304 HE2 TYR 34 HE2 TYR 34 1.511 2.392 -7.238 305 HH TYR 34 HH TYR 34 4.835 2.062 -8.460 306 H LEU 35 H LEU 35 -2.751 0.642 -10.037 307 HA LEU 35 HA LEU 35 -1.076 -1.079 -8.493 308 HB2 LEU 35 HB3 LEU 35 -4.036 -0.347 -8.352 309 HB3 LEU 35 HB2 LEU 35 -3.182 -1.326 -7.136 310 HG LEU 35 HG LEU 35 -2.402 1.507 -7.945 311 HD11 LEU 35 HD11 LEU 35 -4.560 1.457 -6.745 312 HD12 LEU 35 HD12 LEU 35 -3.836 0.447 -5.470 313 HD13 LEU 35 HD13 LEU 35 -3.280 2.121 -5.700 314 HD21 LEU 35 HD21 LEU 35 -0.527 0.086 -7.168 315 HD22 LEU 35 HD22 LEU 35 -0.915 1.348 -5.975 316 HD23 LEU 35 HD23 LEU 35 -1.449 -0.328 -5.704 317 H SER 36 H SER 36 -4.098 -1.516 -10.422 318 HA SER 36 HA SER 36 -4.343 -4.183 -9.782 319 HB2 SER 36 HB3 SER 36 -5.881 -4.270 -11.689 320 HB3 SER 36 HB2 SER 36 -6.116 -2.738 -10.808 321 HG SER 36 HG SER 36 -5.981 -2.564 -13.091 322 H GLN 37 H GLN 37 -1.975 -2.781 -11.927 323 HA GLN 37 HA GLN 37 -1.835 -4.834 -13.793 324 HB2 GLN 37 HB3 GLN 37 -0.601 -2.675 -13.939 325 HB3 GLN 37 HB2 GLN 37 0.408 -3.176 -12.560 326 HG2 GLN 37 HG3 GLN 37 1.171 -5.160 -13.850 327 HG3 GLN 37 HG2 GLN 37 0.167 -4.645 -15.225 328 HE21 GLN 37 HE21 GLN 37 2.699 -4.822 -15.981 329 HE22 GLN 37 HE22 GLN 37 3.462 -3.325 -15.985 330 H ARG 38 H ARG 38 -0.218 -4.492 -10.563 331 HA ARG 38 HA ARG 38 0.341 -7.352 -10.886 332 HB2 ARG 38 HB3 ARG 38 1.996 -5.193 -9.509 333 HB3 ARG 38 HB2 ARG 38 2.371 -6.934 -9.505 334 HG2 ARG 38 HG3 ARG 38 2.463 -6.888 -12.006 335 HG3 ARG 38 HG2 ARG 38 2.169 -5.133 -11.953 336 HD2 ARG 38 HD3 ARG 38 4.560 -5.483 -12.162 337 HD3 ARG 38 HD2 ARG 38 4.227 -4.896 -10.515 338 HE ARG 38 HE ARG 38 4.186 -7.702 -10.581 339 HH11 ARG 38 HH11 ARG 38 6.279 -4.932 -10.818 340 HH12 ARG 38 HH12 ARG 38 7.637 -5.711 -10.212 341 HH21 ARG 38 HH21 ARG 38 6.058 -8.775 -9.725 342 HH22 ARG 38 HH22 ARG 38 7.510 -7.943 -9.578 343 H LEU 39 H LEU 39 -1.533 -5.170 -9.134 344 HA LEU 39 HA LEU 39 -1.007 -6.097 -6.534 345 HB2 LEU 39 HB3 LEU 39 -2.119 -3.950 -7.079 346 HB3 LEU 39 HB2 LEU 39 -3.523 -4.846 -7.704 347 HG LEU 39 HG LEU 39 -3.854 -5.856 -5.460 348 HD11 LEU 39 HD11 LEU 39 -1.502 -4.065 -4.690 349 HD12 LEU 39 HD12 LEU 39 -2.493 -5.012 -3.556 350 HD13 LEU 39 HD13 LEU 39 -1.474 -5.843 -4.756 351 HD21 LEU 39 HD21 LEU 39 -4.917 -3.665 -6.036 352 HD22 LEU 39 HD22 LEU 39 -4.545 -3.783 -4.300 353 HD23 LEU 39 HD23 LEU 39 -3.499 -2.822 -5.372 354 H GLY 40 H GLY 40 -3.499 -7.043 -8.996 355 HA2 GLY 40 HA3 GLY 40 -3.624 -9.506 -9.051 356 HA3 GLY 40 HA2 GLY 40 -3.858 -9.409 -7.295 357 H LEU 41 H LEU 41 -5.550 -6.770 -8.238 358 HA LEU 41 HA LEU 41 -7.804 -8.409 -9.091 359 HB2 LEU 41 HB3 LEU 41 -9.267 -6.852 -7.733 360 HB3 LEU 41 HB2 LEU 41 -8.314 -8.031 -6.812 361 HG LEU 41 HG LEU 41 -8.380 -5.574 -5.965 362 HD11 LEU 41 HD11 LEU 41 -6.860 -7.386 -5.159 363 HD12 LEU 41 HD12 LEU 41 -5.693 -6.936 -6.425 364 HD13 LEU 41 HD13 LEU 41 -6.094 -5.781 -5.133 365 HD21 LEU 41 HD21 LEU 41 -7.886 -4.540 -8.175 366 HD22 LEU 41 HD22 LEU 41 -6.650 -4.126 -6.968 367 HD23 LEU 41 HD23 LEU 41 -6.309 -5.363 -8.200 368 H ASN 42 H ASN 42 -9.635 -6.769 -9.929 369 HA ASN 42 HA ASN 42 -8.225 -5.338 -11.974 370 HB2 ASN 42 HB3 ASN 42 -11.163 -5.888 -11.416 371 HB3 ASN 42 HB2 ASN 42 -10.597 -4.953 -12.821 372 HD21 ASN 42 HD21 ASN 42 -11.990 -7.329 -13.298 373 HD22 ASN 42 HD22 ASN 42 -10.905 -8.477 -13.871 374 H GLU 43 H GLU 43 -9.219 -3.124 -12.638 375 HA GLU 43 HA GLU 43 -8.686 -1.367 -10.554 376 HB2 GLU 43 HB3 GLU 43 -10.350 -0.785 -13.040 377 HB3 GLU 43 HB2 GLU 43 -9.451 0.380 -12.045 378 HG2 GLU 43 HG3 GLU 43 -8.085 -0.025 -13.962 379 HG3 GLU 43 HG2 GLU 43 -7.339 -0.971 -12.651 380 H GLU 44 H GLU 44 -11.674 -2.965 -11.541 381 HA GLU 44 HA GLU 44 -13.458 -1.191 -10.344 382 HB2 GLU 44 HB3 GLU 44 -14.116 -3.062 -11.836 383 HB3 GLU 44 HB2 GLU 44 -13.567 -4.231 -10.610 384 HG2 GLU 44 HG3 GLU 44 -15.215 -3.366 -9.006 385 HG3 GLU 44 HG2 GLU 44 -15.723 -2.117 -10.168 386 H GLN 45 H GLN 45 -11.425 -3.838 -9.011 387 HA GLN 45 HA GLN 45 -12.796 -3.685 -6.522 388 HB2 GLN 45 HB3 GLN 45 -10.121 -4.918 -7.302 389 HB3 GLN 45 HB2 GLN 45 -11.007 -5.233 -5.791 390 HG2 GLN 45 HG3 GLN 45 -12.033 -5.791 -8.610 391 HG3 GLN 45 HG2 GLN 45 -11.425 -7.014 -7.472 392 HE21 GLN 45 HE21 GLN 45 -12.601 -6.677 -5.132 393 HE22 GLN 45 HE22 GLN 45 -14.271 -6.553 -5.268 394 H ILE 46 H ILE 46 -10.386 -1.735 -8.043 395 HA ILE 46 HA ILE 46 -9.100 -0.969 -5.596 396 HB ILE 46 HB ILE 46 -9.303 0.404 -8.322 397 HG12 ILE 46 HG13 ILE 46 -8.149 -1.808 -8.406 398 HG13 ILE 46 HG12 ILE 46 -7.038 -0.452 -8.716 399 HG21 ILE 46 HG21 ILE 46 -8.785 1.956 -6.471 400 HG22 ILE 46 HG22 ILE 46 -7.451 0.898 -5.953 401 HG23 ILE 46 HG23 ILE 46 -7.371 1.726 -7.527 402 HD11 ILE 46 HD11 ILE 46 -6.320 -0.508 -6.336 403 HD12 ILE 46 HD12 ILE 46 -7.402 -1.894 -6.053 404 HD13 ILE 46 HD13 ILE 46 -6.012 -2.058 -7.153 405 H GLU 47 H GLU 47 -11.617 0.255 -7.826 406 HA GLU 47 HA GLU 47 -12.226 2.570 -6.401 407 HB2 GLU 47 HB3 GLU 47 -13.886 0.721 -8.175 408 HB3 GLU 47 HB2 GLU 47 -14.405 2.337 -7.643 409 HG2 GLU 47 HG3 GLU 47 -12.463 3.358 -8.749 410 HG3 GLU 47 HG2 GLU 47 -11.870 1.751 -9.235 411 H ARG 48 H ARG 48 -13.556 -0.774 -6.197 412 HA ARG 48 HA ARG 48 -15.595 -0.103 -4.429 413 HB2 ARG 48 HB3 ARG 48 -14.261 -2.575 -5.394 414 HB3 ARG 48 HB2 ARG 48 -15.029 -2.688 -3.793 415 HG2 ARG 48 HG3 ARG 48 -16.641 -3.266 -5.573 416 HG3 ARG 48 HG2 ARG 48 -17.134 -1.796 -4.704 417 HD2 ARG 48 HD3 ARG 48 -16.169 -0.404 -6.519 418 HD3 ARG 48 HD2 ARG 48 -15.696 -1.883 -7.390 419 HE ARG 48 HE ARG 48 -18.384 -2.090 -6.850 420 HH11 ARG 48 HH11 ARG 48 -16.178 -0.025 -8.579 421 HH12 ARG 48 HH12 ARG 48 -17.271 0.389 -9.786 422 HH21 ARG 48 HH21 ARG 48 -19.890 -1.518 -8.515 423 HH22 ARG 48 HH22 ARG 48 -19.424 -0.476 -9.749 424 H TRP 49 H TRP 49 -12.384 -1.654 -3.574 425 HA TRP 49 HA TRP 49 -13.023 -1.460 -0.873 426 HB2 TRP 49 HB3 TRP 49 -11.219 -2.911 -1.671 427 HB3 TRP 49 HB2 TRP 49 -10.278 -1.488 -2.189 428 HD1 TRP 49 HD1 TRP 49 -8.514 -0.944 -0.365 429 HE1 TRP 49 HE1 TRP 49 -8.435 -0.911 2.138 430 HE3 TRP 49 HE3 TRP 49 -13.109 -2.631 0.472 431 HZ2 TRP 49 HZ2 TRP 49 -10.177 -1.521 4.196 432 HZ3 TRP 49 HZ3 TRP 49 -13.889 -2.841 2.760 433 HH2 TRP 49 HH2 TRP 49 -12.440 -2.289 4.595 434 H PHE 50 H PHE 50 -11.445 0.864 -3.064 435 HA PHE 50 HA PHE 50 -10.489 2.623 -1.187 436 HB2 PHE 50 HB3 PHE 50 -10.070 2.821 -3.614 437 HB3 PHE 50 HB2 PHE 50 -11.800 3.137 -3.886 438 HD1 PHE 50 HD1 PHE 50 -8.879 4.438 -2.051 439 HD2 PHE 50 HD2 PHE 50 -12.587 5.280 -3.771 440 HE1 PHE 50 HE1 PHE 50 -8.533 6.789 -1.651 441 HE2 PHE 50 HE2 PHE 50 -12.249 7.628 -3.352 442 HZ PHE 50 HZ PHE 50 -10.221 8.383 -2.291 443 H ARG 51 H ARG 51 -13.845 2.538 -2.632 444 HA ARG 51 HA ARG 51 -14.342 4.766 -0.862 445 HB2 ARG 51 HB3 ARG 51 -16.461 4.993 -2.095 446 HB3 ARG 51 HB2 ARG 51 -15.079 4.890 -3.208 447 HG2 ARG 51 HG3 ARG 51 -16.534 3.386 -4.211 448 HG3 ARG 51 HG2 ARG 51 -15.623 2.291 -3.144 449 HD2 ARG 51 HD3 ARG 51 -18.022 1.847 -2.927 450 HD3 ARG 51 HD2 ARG 51 -17.437 2.575 -1.412 451 HE ARG 51 HE ARG 51 -18.602 4.500 -1.952 452 HH11 ARG 51 HH11 ARG 51 -18.596 2.178 -4.545 453 HH12 ARG 51 HH12 ARG 51 -19.786 2.950 -5.445 454 HH21 ARG 51 HH21 ARG 51 -20.260 5.555 -3.190 455 HH22 ARG 51 HH22 ARG 51 -20.750 4.906 -4.660 456 H ARG 52 H ARG 52 -14.799 1.324 -0.772 457 HA ARG 52 HA ARG 52 -17.132 1.387 0.834 458 HB2 ARG 52 HB3 ARG 52 -14.873 -0.594 0.401 459 HB3 ARG 52 HB2 ARG 52 -16.144 -0.876 1.614 460 HG2 ARG 52 HG3 ARG 52 -16.703 -0.300 -1.326 461 HG3 ARG 52 HG2 ARG 52 -16.656 -1.931 -0.611 462 HD2 ARG 52 HD3 ARG 52 -18.468 0.344 0.295 463 HD3 ARG 52 HD2 ARG 52 -18.985 -1.028 -0.715 464 HE ARG 52 HE ARG 52 -17.839 -1.458 1.941 465 HH11 ARG 52 HH11 ARG 52 -20.387 -1.720 -0.419 466 HH12 ARG 52 HH12 ARG 52 -21.322 -2.784 0.486 467 HH21 ARG 52 HH21 ARG 52 -19.130 -2.927 3.183 468 HH22 ARG 52 HH22 ARG 52 -20.594 -3.482 2.573 469 H LYS 53 H LYS 53 -13.618 1.322 1.487 470 HA LYS 53 HA LYS 53 -13.773 1.171 4.204 471 HB2 LYS 53 HB3 LYS 53 -11.799 1.238 2.406 472 HB3 LYS 53 HB2 LYS 53 -11.675 2.924 2.956 473 HG2 LYS 53 HG3 LYS 53 -11.981 0.877 5.102 474 HG3 LYS 53 HG2 LYS 53 -10.482 0.759 4.161 475 HD2 LYS 53 HD3 LYS 53 -11.421 3.295 5.550 476 HD3 LYS 53 HD2 LYS 53 -10.205 2.159 6.184 477 HE2 LYS 53 HE3 LYS 53 -8.935 2.463 3.984 478 HE3 LYS 53 HE2 LYS 53 -10.060 3.796 3.634 479 HZ1 LYS 53 HZ1 LYS 53 -8.263 4.779 4.627 480 HZ2 LYS 53 HZ2 LYS 53 -9.352 4.651 5.889 481 HZ3 LYS 53 HZ3 LYS 53 -8.078 3.581 5.766 482 H GLU 54 H GLU 54 -14.746 3.930 2.213 483 HA GLU 54 HA GLU 54 -14.405 5.568 4.606 484 HB2 GLU 54 HB3 GLU 54 -15.229 6.487 1.828 485 HB3 GLU 54 HB2 GLU 54 -14.542 7.449 3.155 486 HG2 GLU 54 HG3 GLU 54 -12.454 5.922 2.927 487 HG3 GLU 54 HG2 GLU 54 -13.162 5.415 1.383 488 H GLN 55 H GLN 55 -16.903 4.634 2.145 489 HA GLN 55 HA GLN 55 -18.766 6.340 3.351 490 HB2 GLN 55 HB3 GLN 55 -20.422 5.296 1.947 491 HB3 GLN 55 HB2 GLN 55 -18.933 5.486 0.994 492 HG2 GLN 55 HG3 GLN 55 -18.357 3.124 1.388 493 HG3 GLN 55 HG2 GLN 55 -19.780 2.934 2.440 494 HE21 GLN 55 HE21 GLN 55 -20.733 5.083 0.078 495 HE22 GLN 55 HE22 GLN 55 -21.394 3.977 -1.000 496 H GLN 56 H GLN 56 -17.669 3.183 4.392 497 HA GLN 56 HA GLN 56 -20.204 2.571 5.533 498 HB2 GLN 56 HB3 GLN 56 -18.528 0.819 4.954 499 HB3 GLN 56 HB2 GLN 56 -17.438 1.477 6.198 500 HG2 GLN 56 HG3 GLN 56 -18.731 -0.451 7.071 501 HG3 GLN 56 HG2 GLN 56 -19.162 1.046 7.931 502 HE21 GLN 56 HE21 GLN 56 -20.197 -0.580 4.848 503 HE22 GLN 56 HE22 GLN 56 -21.834 -0.382 5.172 504 H ILE 57 H ILE 57 -17.729 4.799 6.362 505 HA ILE 57 HA ILE 57 -18.607 4.632 9.139 506 HB ILE 57 HB ILE 57 -16.033 5.770 7.973 507 HG12 ILE 57 HG13 ILE 57 -16.199 3.285 7.877 508 HG13 ILE 57 HG12 ILE 57 -14.984 3.813 9.062 509 HG21 ILE 57 HG21 ILE 57 -15.387 5.944 10.375 510 HG22 ILE 57 HG22 ILE 57 -16.810 6.945 10.007 511 HG23 ILE 57 HG23 ILE 57 -17.010 5.386 10.841 512 HD11 ILE 57 HD11 ILE 57 -17.855 3.013 9.711 513 HD12 ILE 57 HD12 ILE 57 -16.410 2.012 9.989 514 HD13 ILE 57 HD13 ILE 57 -16.626 3.532 10.888 515 H GLY 58 H GLY 58 -18.226 6.788 6.322 516 HA2 GLY 58 HA3 GLY 58 -19.910 8.642 6.528 517 HA3 GLY 58 HA2 GLY 58 -19.153 8.911 8.117 518 H TRP 59 H TRP 59 -17.153 7.794 5.533 519 HA TRP 59 HA TRP 59 -15.559 8.676 4.319 520 HB2 TRP 59 HB3 TRP 59 -17.317 10.161 3.395 521 HB3 TRP 59 HB2 TRP 59 -17.016 11.311 4.718 522 HD1 TRP 59 HD1 TRP 59 -15.022 9.684 1.818 523 HE1 TRP 59 HE1 TRP 59 -13.274 11.311 1.064 524 HE3 TRP 59 HE3 TRP 59 -15.869 13.215 5.213 525 HZ2 TRP 59 HZ2 TRP 59 -12.400 13.808 1.847 526 HZ3 TRP 59 HZ3 TRP 59 -14.538 15.244 5.157 527 HH2 TRP 59 HH2 TRP 59 -12.827 15.535 3.495 528 H SER 60 H SER 60 -15.070 8.279 7.051 529 HA SER 60 HA SER 60 -13.055 10.382 7.309 530 HB2 SER 60 HB3 SER 60 -13.131 10.042 9.756 531 HB3 SER 60 HB2 SER 60 -14.717 10.566 9.144 532 HG SER 60 HG SER 60 -15.333 8.393 9.091 533 H HIS 61 H HIS 61 -13.877 7.207 6.724 534 HA HIS 61 HA HIS 61 -12.876 5.245 6.806 535 HB2 HIS 61 HB3 HIS 61 -11.003 5.292 5.226 536 HB3 HIS 61 HB2 HIS 61 -12.363 6.319 4.749 537 HD1 HIS 61 HD1 HIS 61 -11.669 8.584 4.011 538 HD2 HIS 61 HD2 HIS 61 -8.994 6.900 6.619 539 HE1 HIS 61 HE1 HIS 61 -9.776 10.199 4.295 540 HE2 HIS 61 HE2 HIS 61 -8.152 9.150 5.884 541 HA PRO 62 HA PRO 62 -9.499 5.445 9.853 542 HB2 PRO 62 HB3 PRO 62 -10.658 5.257 12.267 543 HB3 PRO 62 HB2 PRO 62 -10.765 6.823 11.391 544 HG2 PRO 62 HG3 PRO 62 -12.833 4.600 11.530 545 HG3 PRO 62 HG2 PRO 62 -13.081 6.356 11.782 546 HD2 PRO 62 HD3 PRO 62 -13.483 5.024 9.344 547 HD3 PRO 62 HD2 PRO 62 -13.110 6.767 9.504 548 H GLN 63 H GLN 63 -11.392 3.225 8.570 549 HA GLN 63 HA GLN 63 -11.988 1.470 10.598 550 HB2 GLN 63 HB3 GLN 63 -11.413 0.974 7.655 551 HB3 GLN 63 HB2 GLN 63 -12.086 -0.239 8.767 552 HG2 GLN 63 HG3 GLN 63 -13.983 1.303 9.276 553 HG3 GLN 63 HG2 GLN 63 -13.328 2.455 8.086 554 HE21 GLN 63 HE21 GLN 63 -12.591 -0.671 7.035 555 HE22 GLN 63 HE22 GLN 63 -13.908 -0.881 6.013 556 H PHE 64 H PHE 64 -8.692 2.099 9.766 557 HA PHE 64 HA PHE 64 -8.170 -0.699 10.421 558 HB2 PHE 64 HB3 PHE 64 -6.363 1.511 9.366 559 HB3 PHE 64 HB2 PHE 64 -5.788 -0.086 9.906 560 HD1 PHE 64 HD1 PHE 64 -8.277 1.425 7.619 561 HD2 PHE 64 HD2 PHE 64 -5.755 -1.802 8.425 562 HE1 PHE 64 HE1 PHE 64 -8.813 0.464 5.476 563 HE2 PHE 64 HE2 PHE 64 -6.301 -2.764 6.285 564 HZ PHE 64 HZ PHE 64 -7.832 -1.630 4.809 565 H GLU 65 H GLU 65 -5.933 1.895 11.300 566 HA GLU 65 HA GLU 65 -6.817 1.437 14.061 567 HB2 GLU 65 HB3 GLU 65 -3.988 1.628 12.931 568 HB3 GLU 65 HB2 GLU 65 -4.379 1.660 14.665 569 HG2 GLU 65 HG3 GLU 65 -5.064 -0.625 12.760 570 HG3 GLU 65 HG2 GLU 65 -3.710 -0.606 13.913 571 H LYS 66 H LYS 66 -7.946 3.612 12.929 572 HA LYS 66 HA LYS 66 -6.072 5.730 13.709 573 HB2 LYS 66 HB3 LYS 66 -8.245 5.751 11.571 574 HB3 LYS 66 HB2 LYS 66 -7.293 7.167 12.076 575 HG2 LYS 66 HG3 LYS 66 -5.200 5.946 11.458 576 HG3 LYS 66 HG2 LYS 66 -6.192 4.584 10.886 577 HD2 LYS 66 HD3 LYS 66 -5.587 5.977 8.978 578 HD3 LYS 66 HD2 LYS 66 -7.332 6.154 9.283 579 HE2 LYS 66 HE3 LYS 66 -6.929 8.261 10.490 580 HE3 LYS 66 HE2 LYS 66 -5.171 8.055 10.303 581 HZ1 LYS 66 HZ1 LYS 66 -7.112 8.338 8.111 582 HZ2 LYS 66 HZ2 LYS 66 -6.069 9.523 8.655 583 HZ3 LYS 66 HZ3 LYS 66 -5.463 8.142 7.940 584 H1 MET 1 H1 MET 1 5.721 -16.729 -3.765 585 H2 MET 1 H2 MET 1 7.105 -16.998 -4.658 586 H3 MET 1 H3 MET 1 5.687 -16.565 -5.425 587 HA MET 1 HA MET 1 7.165 -14.872 -3.524 588 HB2 MET 1 HB3 MET 1 8.343 -15.320 -5.704 589 HB3 MET 1 HB2 MET 1 6.906 -14.719 -6.559 590 HG2 MET 1 HG3 MET 1 8.480 -12.898 -6.431 591 HG3 MET 1 HG2 MET 1 7.174 -12.540 -5.277 592 HE1 MET 1 HE1 MET 1 10.249 -10.996 -3.769 593 HE2 MET 1 HE2 MET 1 9.893 -11.246 -5.495 594 HE3 MET 1 HE3 MET 1 8.582 -10.824 -4.371 595 H GLU 2 H GLU 2 4.585 -15.087 -2.844 596 HA GLU 2 HA GLU 2 3.472 -12.703 -4.107 597 HB2 GLU 2 HB3 GLU 2 1.242 -13.767 -4.096 598 HB3 GLU 2 HB2 GLU 2 2.371 -14.682 -5.124 599 HG2 GLU 2 HG3 GLU 2 1.826 -15.370 -2.202 600 HG3 GLU 2 HG2 GLU 2 0.943 -16.098 -3.565 601 H LYS 3 H LYS 3 4.415 -14.273 -1.250 602 HA LYS 3 HA LYS 3 2.708 -12.399 0.190 603 HB2 LYS 3 HB3 LYS 3 2.157 -14.187 1.819 604 HB3 LYS 3 HB2 LYS 3 1.601 -14.633 0.186 605 HG2 LYS 3 HG3 LYS 3 3.778 -15.882 -0.125 606 HG3 LYS 3 HG2 LYS 3 4.136 -15.589 1.592 607 HD2 LYS 3 HD3 LYS 3 1.611 -16.966 0.570 608 HD3 LYS 3 HD2 LYS 3 3.063 -17.830 1.126 609 HE2 LYS 3 HE3 LYS 3 2.870 -16.727 3.342 610 HE3 LYS 3 HE2 LYS 3 1.397 -15.893 2.791 611 HZ1 LYS 3 HZ1 LYS 3 1.781 -18.807 2.927 612 HZ2 LYS 3 HZ2 LYS 3 0.894 -17.888 4.001 613 HZ3 LYS 3 HZ3 LYS 3 0.399 -18.026 2.413 614 H ARG 4 H ARG 4 3.501 -12.523 2.633 615 HA ARG 4 HA ARG 4 6.258 -11.884 2.588 616 HB2 ARG 4 HB3 ARG 4 4.727 -10.647 3.928 617 HB3 ARG 4 HB2 ARG 4 4.024 -12.110 4.634 618 HG2 ARG 4 HG3 ARG 4 6.930 -11.380 5.133 619 HG3 ARG 4 HG2 ARG 4 5.595 -10.711 6.107 620 HD2 ARG 4 HD3 ARG 4 4.765 -13.167 6.291 621 HD3 ARG 4 HD2 ARG 4 6.417 -13.610 5.808 622 HE ARG 4 HE ARG 4 6.405 -11.734 7.925 623 HH11 ARG 4 HH11 ARG 4 5.863 -15.060 7.050 624 HH12 ARG 4 HH12 ARG 4 6.139 -15.676 8.589 625 HH21 ARG 4 HH21 ARG 4 6.790 -12.597 10.063 626 HH22 ARG 4 HH22 ARG 4 6.686 -14.252 10.329 627 HA PRO 5 HA PRO 5 7.089 -16.122 3.701 628 HB2 PRO 5 HB3 PRO 5 9.741 -16.230 3.031 629 HB3 PRO 5 HB2 PRO 5 8.433 -16.259 1.806 630 HG2 PRO 5 HG3 PRO 5 10.160 -13.936 2.660 631 HG3 PRO 5 HG2 PRO 5 9.609 -14.379 1.023 632 HD2 PRO 5 HD3 PRO 5 8.398 -12.445 2.663 633 HD3 PRO 5 HD2 PRO 5 7.590 -13.295 1.311 634 H ARG 6 H ARG 6 9.824 -13.896 4.385 635 HA ARG 6 HA ARG 6 9.587 -14.790 7.159 636 HB2 ARG 6 HB3 ARG 6 12.090 -14.601 5.420 637 HB3 ARG 6 HB2 ARG 6 12.079 -14.934 7.166 638 HG2 ARG 6 HG3 ARG 6 10.790 -16.997 6.795 639 HG3 ARG 6 HG2 ARG 6 10.707 -16.649 5.051 640 HD2 ARG 6 HD3 ARG 6 12.495 -18.275 5.536 641 HD3 ARG 6 HD2 ARG 6 13.175 -16.759 4.898 642 HE ARG 6 HE ARG 6 13.094 -17.376 7.762 643 HH11 ARG 6 HH11 ARG 6 14.628 -16.259 4.842 644 HH12 ARG 6 HH12 ARG 6 16.063 -15.804 5.587 645 HH21 ARG 6 HH21 ARG 6 15.075 -16.745 8.788 646 HH22 ARG 6 HH22 ARG 6 16.322 -16.085 7.876 647 H THR 7 H THR 7 8.555 -12.436 7.014 648 HA THR 7 HA THR 7 8.708 -10.192 7.132 649 HB THR 7 HB THR 7 10.211 -9.471 8.950 650 HG1 THR 7 HG1 THR 7 11.951 -10.768 8.287 651 HG21 THR 7 HG21 THR 7 8.951 -12.198 9.461 652 HG22 THR 7 HG22 THR 7 9.406 -11.018 10.714 653 HG23 THR 7 HG23 THR 7 8.112 -10.631 9.557 654 H GLU 8 H GLU 8 9.964 -10.783 4.693 655 HA GLU 8 HA GLU 8 12.194 -8.893 4.898 656 HB2 GLU 8 HB3 GLU 8 13.269 -10.159 3.046 657 HB3 GLU 8 HB2 GLU 8 13.111 -11.121 4.534 658 HG2 GLU 8 HG3 GLU 8 11.069 -12.192 3.626 659 HG3 GLU 8 HG2 GLU 8 11.239 -11.241 2.130 660 H PHE 9 H PHE 9 9.203 -8.907 4.154 661 HA PHE 9 HA PHE 9 7.786 -8.101 2.734 662 HB2 PHE 9 HB3 PHE 9 8.247 -6.010 1.666 663 HB3 PHE 9 HB2 PHE 9 8.897 -6.042 3.310 664 HD1 PHE 9 HD2 PHE 9 9.885 -6.431 -0.203 665 HD2 PHE 9 HD1 PHE 9 11.113 -5.556 3.685 666 HE1 PHE 9 HE2 PHE 9 12.041 -5.752 -1.037 667 HE2 PHE 9 HE1 PHE 9 13.271 -4.880 2.855 668 HZ PHE 9 HZ PHE 9 13.734 -4.973 0.491 669 H SER 10 H SER 10 6.881 -8.870 0.962 670 HA SER 10 HA SER 10 8.738 -9.913 -1.039 671 HB2 SER 10 HB3 SER 10 7.015 -11.440 0.008 672 HB3 SER 10 HB2 SER 10 5.751 -10.427 -0.731 673 HG SER 10 HG SER 10 7.847 -11.841 -2.002 674 H GLU 11 H GLU 11 7.260 -9.902 -3.330 675 HA GLU 11 HA GLU 11 7.420 -7.187 -4.002 676 HB2 GLU 11 HB3 GLU 11 6.554 -7.858 -6.183 677 HB3 GLU 11 HB2 GLU 11 7.771 -9.036 -5.639 678 HG2 GLU 11 HG3 GLU 11 5.965 -10.534 -4.839 679 HG3 GLU 11 HG2 GLU 11 4.745 -9.351 -5.371 680 H GLU 12 H GLU 12 4.852 -9.079 -2.624 681 HA GLU 12 HA GLU 12 2.707 -7.525 -3.562 682 HB2 GLU 12 HB3 GLU 12 2.608 -9.774 -2.406 683 HB3 GLU 12 HB2 GLU 12 3.103 -8.969 -0.900 684 HG2 GLU 12 HG3 GLU 12 0.669 -9.198 -0.944 685 HG3 GLU 12 HG2 GLU 12 1.087 -7.473 -1.099 686 H GLN 13 H GLN 13 4.971 -7.327 -0.820 687 HA GLN 13 HA GLN 13 3.567 -5.043 0.224 688 HB2 GLN 13 HB3 GLN 13 6.039 -6.630 1.071 689 HB3 GLN 13 HB2 GLN 13 5.214 -5.406 2.076 690 HG2 GLN 13 HG3 GLN 13 3.179 -6.711 2.124 691 HG3 GLN 13 HG2 GLN 13 3.782 -7.810 0.865 692 HE21 GLN 13 HE21 GLN 13 3.314 -7.623 4.195 693 HE22 GLN 13 HE22 GLN 13 4.479 -8.748 4.630 694 H LYS 14 H LYS 14 6.184 -5.679 -1.964 695 HA LYS 14 HA LYS 14 7.636 -3.299 -1.442 696 HB2 LYS 14 HB3 LYS 14 7.327 -5.139 -3.845 697 HB3 LYS 14 HB2 LYS 14 8.290 -3.646 -3.920 698 HG2 LYS 14 HG3 LYS 14 9.748 -4.389 -2.148 699 HG3 LYS 14 HG2 LYS 14 8.716 -5.794 -1.809 700 HD2 LYS 14 HD3 LYS 14 10.779 -6.349 -3.142 701 HD3 LYS 14 HD2 LYS 14 9.270 -6.800 -3.956 702 HE2 LYS 14 HE3 LYS 14 9.356 -4.687 -5.268 703 HE3 LYS 14 HE2 LYS 14 10.899 -4.284 -4.480 704 HZ1 LYS 14 HZ1 LYS 14 10.375 -6.674 -6.107 705 HZ2 LYS 14 HZ2 LYS 14 11.231 -5.327 -6.595 706 HZ3 LYS 14 HZ3 LYS 14 11.821 -6.291 -5.367 707 H LYS 15 H LYS 15 4.988 -4.264 -3.650 708 HA LYS 15 HA LYS 15 4.589 -1.744 -4.775 709 HB2 LYS 15 HB3 LYS 15 2.612 -3.973 -4.129 710 HB3 LYS 15 HB2 LYS 15 2.299 -2.602 -5.215 711 HG2 LYS 15 HG3 LYS 15 4.169 -3.319 -6.667 712 HG3 LYS 15 HG2 LYS 15 4.466 -4.717 -5.608 713 HD2 LYS 15 HD3 LYS 15 1.787 -4.133 -6.953 714 HD3 LYS 15 HD2 LYS 15 3.028 -5.210 -7.636 715 HE2 LYS 15 HE3 LYS 15 1.391 -6.540 -6.421 716 HE3 LYS 15 HE2 LYS 15 2.943 -6.600 -5.558 717 HZ1 LYS 15 HZ1 LYS 15 2.135 -5.211 -3.927 718 HZ2 LYS 15 HZ2 LYS 15 0.905 -4.608 -4.891 719 HZ3 LYS 15 HZ3 LYS 15 0.813 -6.155 -4.279 720 H ALA 16 H ALA 16 3.076 -3.322 -1.895 721 HA ALA 16 HA ALA 16 1.209 -1.428 -1.359 722 HB1 ALA 16 HB1 ALA 16 1.488 -3.570 -0.144 723 HB2 ALA 16 HB2 ALA 16 2.965 -2.938 0.621 724 HB3 ALA 16 HB3 ALA 16 1.390 -2.193 0.979 725 H LEU 17 H LEU 17 4.670 -1.345 -0.186 726 HA LEU 17 HA LEU 17 4.117 1.043 1.203 727 HB2 LEU 17 HB3 LEU 17 6.571 -0.478 0.398 728 HB3 LEU 17 HB2 LEU 17 6.761 1.230 0.858 729 HG LEU 17 HG LEU 17 5.659 0.830 3.001 730 HD11 LEU 17 HD11 LEU 17 4.086 -0.931 2.236 731 HD12 LEU 17 HD12 LEU 17 5.448 -2.067 2.076 732 HD13 LEU 17 HD13 LEU 17 4.992 -1.446 3.679 733 HD21 LEU 17 HD21 LEU 17 7.345 -0.663 4.024 734 HD22 LEU 17 HD22 LEU 17 7.784 -1.279 2.414 735 HD23 LEU 17 HD23 LEU 17 8.103 0.421 2.834 736 H ASP 18 H ASP 18 4.692 0.450 -2.226 737 HA ASP 18 HA ASP 18 5.782 3.001 -2.696 738 HB2 ASP 18 HB3 ASP 18 5.946 1.104 -4.310 739 HB3 ASP 18 HB2 ASP 18 4.191 1.222 -4.587 740 H LEU 19 H LEU 19 2.605 2.120 -1.693 741 HA LEU 19 HA LEU 19 1.413 4.194 -3.294 742 HB2 LEU 19 HB3 LEU 19 0.439 2.326 -1.097 743 HB3 LEU 19 HB2 LEU 19 -0.546 3.686 -1.673 744 HG LEU 19 HG LEU 19 -0.346 2.795 -4.009 745 HD11 LEU 19 HD11 LEU 19 1.733 1.515 -3.736 746 HD12 LEU 19 HD12 LEU 19 0.926 0.432 -2.576 747 HD13 LEU 19 HD13 LEU 19 0.420 0.448 -4.280 748 HD21 LEU 19 HD21 LEU 19 -2.304 2.270 -2.546 749 HD22 LEU 19 HD22 LEU 19 -1.935 0.941 -3.672 750 HD23 LEU 19 HD23 LEU 19 -1.450 0.819 -1.966 751 H ALA 20 H ALA 20 3.326 4.191 -0.417 752 HA ALA 20 HA ALA 20 1.667 6.377 0.569 753 HB1 ALA 20 HB1 ALA 20 2.991 6.111 2.651 754 HB2 ALA 20 HB2 ALA 20 2.247 4.570 2.168 755 HB3 ALA 20 HB3 ALA 20 3.974 4.857 1.862 756 H PHE 21 H PHE 21 5.225 5.758 0.488 757 HA PHE 21 HA PHE 21 6.769 7.437 0.755 758 HB2 PHE 21 HB3 PHE 21 5.754 7.344 -2.087 759 HB3 PHE 21 HB2 PHE 21 7.135 8.364 -1.595 760 HD1 PHE 21 HD1 PHE 21 5.888 4.912 -1.143 761 HD2 PHE 21 HD2 PHE 21 9.192 7.431 -1.519 762 HE1 PHE 21 HE1 PHE 21 7.361 3.004 -1.010 763 HE2 PHE 21 HE2 PHE 21 10.658 5.522 -1.392 764 HZ PHE 21 HZ PHE 21 9.746 3.313 -1.118 765 H TYR 22 H TYR 22 5.568 9.626 -1.592 766 HA TYR 22 HA TYR 22 4.996 11.782 -1.339 767 HB2 TYR 22 HB3 TYR 22 2.961 10.629 -0.323 768 HB3 TYR 22 HB2 TYR 22 3.688 10.926 1.270 769 HD1 TYR 22 HD1 TYR 22 3.145 12.827 -1.852 770 HD2 TYR 22 HD2 TYR 22 2.854 12.773 2.310 771 HE1 TYR 22 HE1 TYR 22 2.202 15.044 -1.891 772 HE2 TYR 22 HE2 TYR 22 1.906 14.988 2.273 773 HH TYR 22 HH TYR 22 1.218 16.879 1.001 774 H PHE 23 H PHE 23 4.926 12.417 1.949 775 HA PHE 23 HA PHE 23 7.852 12.594 1.928 776 HB2 PHE 23 HB3 PHE 23 5.805 14.553 3.064 777 HB3 PHE 23 HB2 PHE 23 7.572 14.706 3.234 778 HD1 PHE 23 HD1 PHE 23 8.870 14.594 0.995 779 HD2 PHE 23 HD2 PHE 23 4.816 15.546 1.272 780 HE1 PHE 23 HE1 PHE 23 8.967 15.637 -1.176 781 HE2 PHE 23 HE2 PHE 23 4.910 16.585 -0.901 782 HZ PHE 23 HZ PHE 23 6.985 16.624 -2.127 783 H ASP 24 H ASP 24 5.017 12.910 4.180 784 HA ASP 24 HA ASP 24 6.412 10.860 5.738 785 HB2 ASP 24 HB3 ASP 24 4.849 13.283 6.748 786 HB3 ASP 24 HB2 ASP 24 5.469 11.967 7.773 787 H ARG 25 H ARG 25 4.559 10.044 3.828 788 HA ARG 25 HA ARG 25 1.934 10.161 4.882 789 HB2 ARG 25 HB3 ARG 25 2.500 9.795 2.461 790 HB3 ARG 25 HB2 ARG 25 3.129 8.189 2.896 791 HG2 ARG 25 HG3 ARG 25 0.854 7.889 2.160 792 HG3 ARG 25 HG2 ARG 25 0.829 7.713 3.932 793 HD2 ARG 25 HD3 ARG 25 0.334 10.386 2.565 794 HD3 ARG 25 HD2 ARG 25 -0.982 9.223 2.855 795 HE ARG 25 HE ARG 25 0.330 9.493 5.239 796 HH11 ARG 25 HH11 ARG 25 -1.363 11.494 2.944 797 HH12 ARG 25 HH12 ARG 25 -1.950 12.573 4.090 798 HH21 ARG 25 HH21 ARG 25 -0.482 10.992 6.814 799 HH22 ARG 25 HH22 ARG 25 -1.441 12.282 6.328 800 H ARG 26 H ARG 26 4.176 7.333 4.530 801 HA ARG 26 HA ARG 26 3.088 6.495 7.116 802 HB2 ARG 26 HB3 ARG 26 3.777 4.705 4.746 803 HB3 ARG 26 HB2 ARG 26 3.208 4.156 6.333 804 HG2 ARG 26 HG3 ARG 26 1.607 5.922 4.439 805 HG3 ARG 26 HG2 ARG 26 1.444 4.164 4.569 806 HD2 ARG 26 HD3 ARG 26 0.882 4.425 6.988 807 HD3 ARG 26 HD2 ARG 26 0.886 6.193 6.777 808 HE ARG 26 HE ARG 26 -0.831 4.465 5.152 809 HH11 ARG 26 HH11 ARG 26 -0.278 7.103 7.346 810 HH12 ARG 26 HH12 ARG 26 -1.874 7.629 7.361 811 HH21 ARG 26 HH21 ARG 26 -3.045 5.194 5.161 812 HH22 ARG 26 HH22 ARG 26 -3.467 6.533 6.085 813 H LEU 27 H LEU 27 5.466 7.791 7.404 814 HA LEU 27 HA LEU 27 7.347 5.556 7.203 815 HB2 LEU 27 HB3 LEU 27 7.515 7.207 5.305 816 HB3 LEU 27 HB2 LEU 27 7.982 8.447 6.488 817 HG LEU 27 HG LEU 27 9.872 7.192 5.261 818 HD11 LEU 27 HD11 LEU 27 9.876 7.083 8.302 819 HD12 LEU 27 HD12 LEU 27 11.300 7.122 7.240 820 HD13 LEU 27 HD13 LEU 27 10.218 8.532 7.327 821 HD21 LEU 27 HD21 LEU 27 9.007 5.019 7.220 822 HD22 LEU 27 HD22 LEU 27 8.860 4.935 5.448 823 HD23 LEU 27 HD23 LEU 27 10.469 4.983 6.207 824 H THR 28 H THR 28 5.853 7.500 9.442 825 HA THR 28 HA THR 28 8.400 7.950 10.797 826 HB THR 28 HB THR 28 7.148 9.465 12.251 827 HG1 THR 28 HG1 THR 28 4.930 9.703 11.930 828 HG21 THR 28 HG21 THR 28 6.267 11.056 10.575 829 HG22 THR 28 HG22 THR 28 7.795 10.331 10.022 830 HG23 THR 28 HG23 THR 28 6.247 9.762 9.354 831 HA PRO 29 HA PRO 29 7.939 4.670 13.560 832 HB2 PRO 29 HB3 PRO 29 7.180 6.580 15.778 833 HB3 PRO 29 HB2 PRO 29 8.324 5.199 15.829 834 HG2 PRO 29 HG3 PRO 29 9.288 7.701 15.556 835 HG3 PRO 29 HG2 PRO 29 9.942 6.389 14.523 836 HD2 PRO 29 HD3 PRO 29 7.913 8.516 13.810 837 HD3 PRO 29 HD2 PRO 29 9.262 7.864 12.821 838 H GLU 30 H GLU 30 5.259 7.010 14.029 839 HA GLU 30 HA GLU 30 3.674 4.869 15.038 840 HB2 GLU 30 HB3 GLU 30 2.924 7.663 14.081 841 HB3 GLU 30 HB2 GLU 30 1.841 6.545 14.947 842 HG2 GLU 30 HG3 GLU 30 4.519 7.541 16.025 843 HG3 GLU 30 HG2 GLU 30 2.934 8.225 16.461 844 H TRP 31 H TRP 31 4.633 5.710 11.856 845 HA TRP 31 HA TRP 31 2.222 4.367 10.918 846 HB2 TRP 31 HB3 TRP 31 4.194 6.127 9.415 847 HB3 TRP 31 HB2 TRP 31 2.838 5.245 8.672 848 HD1 TRP 31 HD1 TRP 31 3.559 8.558 10.043 849 HE1 TRP 31 HE1 TRP 31 1.466 9.797 10.638 850 HE3 TRP 31 HE3 TRP 31 0.418 4.720 9.842 851 HZ2 TRP 31 HZ2 TRP 31 -1.200 9.165 10.981 852 HZ3 TRP 31 HZ3 TRP 31 -1.932 5.087 10.333 853 HH2 TRP 31 HH2 TRP 31 -2.728 7.284 10.896 854 H ARG 32 H ARG 32 5.449 3.835 11.740 855 HA ARG 32 HA ARG 32 5.897 1.913 9.618 856 HB2 ARG 32 HB3 ARG 32 7.357 2.550 12.228 857 HB3 ARG 32 HB2 ARG 32 7.881 1.315 11.062 858 HG2 ARG 32 HG3 ARG 32 8.280 2.976 9.354 859 HG3 ARG 32 HG2 ARG 32 7.494 4.240 10.322 860 HD2 ARG 32 HD3 ARG 32 9.250 3.793 12.122 861 HD3 ARG 32 HD2 ARG 32 10.107 2.797 10.925 862 HE ARG 32 HE ARG 32 9.553 5.305 9.821 863 HH11 ARG 32 HH11 ARG 32 11.413 3.759 12.326 864 HH12 ARG 32 HH12 ARG 32 12.649 4.898 12.322 865 HH21 ARG 32 HH21 ARG 32 11.260 6.867 9.812 866 HH22 ARG 32 HH22 ARG 32 12.564 6.699 10.860 867 H ARG 33 H ARG 33 5.228 2.087 13.127 868 HA ARG 33 HA ARG 33 4.858 -0.626 13.577 869 HB2 ARG 33 HB3 ARG 33 5.053 1.119 15.328 870 HB3 ARG 33 HB2 ARG 33 3.499 1.814 14.810 871 HG2 ARG 33 HG3 ARG 33 2.350 -0.295 15.373 872 HG3 ARG 33 HG2 ARG 33 3.903 -1.030 15.843 873 HD2 ARG 33 HD3 ARG 33 4.189 0.667 17.612 874 HD3 ARG 33 HD2 ARG 33 2.664 1.446 17.127 875 HE ARG 33 HE ARG 33 2.176 -1.243 17.659 876 HH11 ARG 33 HH11 ARG 33 3.139 1.722 19.208 877 HH12 ARG 33 HH12 ARG 33 2.453 1.348 20.695 878 HH21 ARG 33 HH21 ARG 33 1.228 -1.757 19.714 879 HH22 ARG 33 HH22 ARG 33 1.345 -0.669 20.989 880 H TYR 34 H TYR 34 2.609 1.940 12.527 881 HA TYR 34 HA TYR 34 0.235 0.607 12.562 882 HB2 TYR 34 HB3 TYR 34 0.486 2.973 11.968 883 HB3 TYR 34 HB2 TYR 34 1.454 2.527 10.546 884 HD1 TYR 34 HD1 TYR 34 -1.911 1.872 11.966 885 HD2 TYR 34 HD2 TYR 34 0.460 2.375 8.567 886 HE1 TYR 34 HE1 TYR 34 -3.881 1.802 10.576 887 HE2 TYR 34 HE2 TYR 34 -1.506 2.296 7.178 888 HH TYR 34 HH TYR 34 -4.829 1.933 8.392 889 H LEU 35 H LEU 35 2.759 0.527 9.958 890 HA LEU 35 HA LEU 35 1.089 -1.179 8.392 891 HB2 LEU 35 HB3 LEU 35 4.047 -0.436 8.261 892 HB3 LEU 35 HB2 LEU 35 3.196 -1.404 7.033 893 HG LEU 35 HG LEU 35 2.407 1.418 7.876 894 HD11 LEU 35 HD11 LEU 35 4.565 1.388 6.675 895 HD12 LEU 35 HD12 LEU 35 3.845 0.391 5.388 896 HD13 LEU 35 HD13 LEU 35 3.284 2.061 5.639 897 HD21 LEU 35 HD21 LEU 35 0.537 -0.000 7.081 898 HD22 LEU 35 HD22 LEU 35 0.921 1.277 5.903 899 HD23 LEU 35 HD23 LEU 35 1.461 -0.394 5.612 900 H SER 36 H SER 36 4.111 -1.631 10.318 901 HA SER 36 HA SER 36 4.366 -4.289 9.644 902 HB2 SER 36 HB3 SER 36 5.903 -4.394 11.551 903 HB3 SER 36 HB2 SER 36 6.134 -2.852 10.689 904 HG SER 36 HG SER 36 5.998 -2.704 12.973 905 H GLN 37 H GLN 37 1.992 -2.921 11.805 906 HA GLN 37 HA GLN 37 1.857 -4.996 13.647 907 HB2 GLN 37 HB3 GLN 37 0.616 -2.843 13.816 908 HB3 GLN 37 HB2 GLN 37 -0.390 -3.331 12.431 909 HG2 GLN 37 HG3 GLN 37 -1.147 -5.333 13.697 910 HG3 GLN 37 HG2 GLN 37 -0.146 -4.830 15.079 911 HE21 GLN 37 HE21 GLN 37 -2.678 -5.024 15.831 912 HE22 GLN 37 HE22 GLN 37 -3.446 -3.529 15.853 913 H ARG 38 H ARG 38 0.240 -4.621 10.420 914 HA ARG 38 HA ARG 38 -0.310 -7.486 10.709 915 HB2 ARG 38 HB3 ARG 38 -1.971 -5.317 9.357 916 HB3 ARG 38 HB2 ARG 38 -2.340 -7.059 9.331 917 HG2 ARG 38 HG3 ARG 38 -2.432 -7.044 11.833 918 HG3 ARG 38 HG2 ARG 38 -2.144 -5.287 11.802 919 HD2 ARG 38 HD3 ARG 38 -4.534 -5.648 12.006 920 HD3 ARG 38 HD2 ARG 38 -4.203 -5.040 10.366 921 HE ARG 38 HE ARG 38 -4.152 -7.846 10.397 922 HH11 ARG 38 HH11 ARG 38 -6.254 -5.088 10.670 923 HH12 ARG 38 HH12 ARG 38 -7.610 -5.863 10.053 924 HH21 ARG 38 HH21 ARG 38 -6.023 -8.917 9.530 925 HH22 ARG 38 HH22 ARG 38 -7.476 -8.085 9.390 926 H LEU 39 H LEU 39 1.559 -5.278 8.984 927 HA LEU 39 HA LEU 39 1.038 -6.176 6.372 928 HB2 LEU 39 HB3 LEU 39 2.142 -4.031 6.944 929 HB3 LEU 39 HB2 LEU 39 3.548 -4.929 7.559 930 HG LEU 39 HG LEU 39 3.885 -5.911 5.304 931 HD11 LEU 39 HD11 LEU 39 1.528 -4.119 4.553 932 HD12 LEU 39 HD12 LEU 39 2.524 -5.050 3.409 933 HD13 LEU 39 HD13 LEU 39 1.506 -5.898 4.597 934 HD21 LEU 39 HD21 LEU 39 4.940 -3.725 5.908 935 HD22 LEU 39 HD22 LEU 39 4.571 -3.823 4.170 936 HD23 LEU 39 HD23 LEU 39 3.521 -2.878 5.253 937 H GLY 40 H GLY 40 3.532 -7.142 8.825 938 HA2 GLY 40 HA3 GLY 40 3.668 -9.604 8.850 939 HA3 GLY 40 HA2 GLY 40 3.901 -9.485 7.096 940 H LEU 41 H LEU 41 5.587 -6.851 8.064 941 HA LEU 41 HA LEU 41 7.841 -8.494 8.903 942 HB2 LEU 41 HB3 LEU 41 9.300 -6.917 7.566 943 HB3 LEU 41 HB2 LEU 41 8.353 -8.088 6.630 944 HG LEU 41 HG LEU 41 8.410 -5.622 5.812 945 HD11 LEU 41 HD11 LEU 41 6.896 -7.427 4.984 946 HD12 LEU 41 HD12 LEU 41 5.727 -6.995 6.255 947 HD13 LEU 41 HD13 LEU 41 6.125 -5.824 4.977 948 HD21 LEU 41 HD21 LEU 41 7.913 -4.614 8.032 949 HD22 LEU 41 HD22 LEU 41 6.676 -4.189 6.829 950 HD23 LEU 41 HD23 LEU 41 6.338 -5.441 8.048 951 H ASN 42 H ASN 42 9.669 -6.861 9.763 952 HA ASN 42 HA ASN 42 8.256 -5.458 11.823 953 HB2 ASN 42 HB3 ASN 42 11.195 -5.990 11.256 954 HB3 ASN 42 HB2 ASN 42 10.627 -5.074 12.673 955 HD21 ASN 42 HD21 ASN 42 12.030 -7.449 13.121 956 HD22 ASN 42 HD22 ASN 42 10.949 -8.608 13.682 957 H GLU 43 H GLU 43 9.242 -3.248 12.513 958 HA GLU 43 HA GLU 43 8.701 -1.468 10.449 959 HB2 GLU 43 HB3 GLU 43 10.363 -0.909 12.943 960 HB3 GLU 43 HB2 GLU 43 9.460 0.264 11.961 961 HG2 GLU 43 HG3 GLU 43 8.095 -0.169 13.873 962 HG3 GLU 43 HG2 GLU 43 7.352 -1.101 12.550 963 H GLU 44 H GLU 44 11.695 -3.067 11.418 964 HA GLU 44 HA GLU 44 13.473 -1.271 10.243 965 HB2 GLU 44 HB3 GLU 44 14.137 -3.158 11.713 966 HB3 GLU 44 HB2 GLU 44 13.592 -4.314 10.473 967 HG2 GLU 44 HG3 GLU 44 15.237 -3.423 8.879 968 HG3 GLU 44 HG2 GLU 44 15.741 -2.187 10.056 969 H GLN 45 H GLN 45 11.449 -3.909 8.879 970 HA GLN 45 HA GLN 45 12.821 -3.723 6.394 971 HB2 GLN 45 HB3 GLN 45 10.149 -4.976 7.157 972 HB3 GLN 45 HB2 GLN 45 11.038 -5.269 5.643 973 HG2 GLN 45 HG3 GLN 45 12.064 -5.857 8.456 974 HG3 GLN 45 HG2 GLN 45 11.461 -7.069 7.304 975 HE21 GLN 45 HE21 GLN 45 12.635 -6.701 4.968 976 HE22 GLN 45 HE22 GLN 45 14.305 -6.573 5.105 977 H ILE 46 H ILE 46 10.403 -1.799 7.935 978 HA ILE 46 HA ILE 46 9.115 -1.011 5.497 979 HB ILE 46 HB ILE 46 9.313 0.332 8.238 980 HG12 ILE 46 HG13 ILE 46 8.166 -1.883 8.297 981 HG13 ILE 46 HG12 ILE 46 7.051 -0.535 8.622 982 HG21 ILE 46 HG21 ILE 46 8.790 1.903 6.405 983 HG22 ILE 46 HG22 ILE 46 7.459 0.847 5.875 984 HG23 ILE 46 HG23 ILE 46 7.377 1.657 7.458 985 HD11 ILE 46 HD11 ILE 46 6.333 -0.567 6.242 986 HD12 ILE 46 HD12 ILE 46 7.419 -1.945 5.943 987 HD13 ILE 46 HD13 ILE 46 6.030 -2.127 7.042 988 H GLU 47 H GLU 47 11.628 0.196 7.740 989 HA GLU 47 HA GLU 47 12.228 2.530 6.343 990 HB2 GLU 47 HB3 GLU 47 13.895 0.666 8.095 991 HB3 GLU 47 HB2 GLU 47 14.409 2.290 7.582 992 HG2 GLU 47 HG3 GLU 47 12.464 3.293 8.700 993 HG3 GLU 47 HG2 GLU 47 11.875 1.679 9.167 994 H ARG 48 H ARG 48 13.570 -0.806 6.101 995 HA ARG 48 HA ARG 48 15.607 -0.109 4.340 996 HB2 ARG 48 HB3 ARG 48 14.280 -2.597 5.275 997 HB3 ARG 48 HB2 ARG 48 15.048 -2.687 3.673 998 HG2 ARG 48 HG3 ARG 48 16.662 -3.282 5.447 999 HG3 ARG 48 HG2 ARG 48 17.151 -1.802 4.595 1000 HD2 ARG 48 HD3 ARG 48 16.182 -0.433 6.425 1001 HD3 ARG 48 HD2 ARG 48 15.713 -1.923 7.279 1002 HE ARG 48 HE ARG 48 18.402 -2.116 6.737 1003 HH11 ARG 48 HH11 ARG 48 16.190 -0.077 8.490 1004 HH12 ARG 48 HH12 ARG 48 17.282 0.327 9.701 1005 HH21 ARG 48 HH21 ARG 48 19.906 -1.558 8.408 1006 HH22 ARG 48 HH22 ARG 48 19.437 -0.532 9.654 1007 H TRP 49 H TRP 49 12.402 -1.662 3.466 1008 HA TRP 49 HA TRP 49 13.040 -1.432 0.768 1009 HB2 TRP 49 HB3 TRP 49 11.241 -2.899 1.547 1010 HB3 TRP 49 HB2 TRP 49 10.295 -1.487 2.083 1011 HD1 TRP 49 HD1 TRP 49 8.529 -0.926 0.268 1012 HE1 TRP 49 HE1 TRP 49 8.448 -0.861 -2.235 1013 HE3 TRP 49 HE3 TRP 49 13.130 -2.583 -0.593 1014 HZ2 TRP 49 HZ2 TRP 49 10.191 -1.437 -4.301 1015 HZ3 TRP 49 HZ3 TRP 49 13.909 -2.761 -2.885 1016 HH2 TRP 49 HH2 TRP 49 12.457 -2.190 -4.712 1017 H PHE 50 H PHE 50 11.452 0.860 2.986 1018 HA PHE 50 HA PHE 50 10.490 2.637 1.130 1019 HB2 PHE 50 HB3 PHE 50 10.071 2.804 3.560 1020 HB3 PHE 50 HB2 PHE 50 11.800 3.124 3.835 1021 HD1 PHE 50 HD1 PHE 50 8.871 4.435 2.020 1022 HD2 PHE 50 HD2 PHE 50 12.579 5.272 3.744 1023 HE1 PHE 50 HE1 PHE 50 8.515 6.788 1.648 1024 HE2 PHE 50 HE2 PHE 50 12.230 7.624 3.353 1025 HZ PHE 50 HZ PHE 50 10.198 8.382 2.303 1026 H ARG 51 H ARG 51 13.846 2.548 2.574 1027 HA ARG 51 HA ARG 51 14.335 4.799 0.832 1028 HB2 ARG 51 HB3 ARG 51 16.453 5.019 2.067 1029 HB3 ARG 51 HB2 ARG 51 15.071 4.897 3.179 1030 HG2 ARG 51 HG3 ARG 51 16.533 3.386 4.163 1031 HG3 ARG 51 HG2 ARG 51 15.625 2.301 3.084 1032 HD2 ARG 51 HD3 ARG 51 18.026 1.869 2.861 1033 HD3 ARG 51 HD2 ARG 51 17.439 2.613 1.355 1034 HE ARG 51 HE ARG 51 18.596 4.536 1.918 1035 HH11 ARG 51 HH11 ARG 51 18.601 2.181 4.482 1036 HH12 ARG 51 HH12 ARG 51 19.787 2.947 5.392 1037 HH21 ARG 51 HH21 ARG 51 20.249 5.583 3.170 1038 HH22 ARG 51 HH22 ARG 51 20.743 4.917 4.631 1039 H ARG 52 H ARG 52 14.804 1.360 0.700 1040 HA ARG 52 HA ARG 52 17.138 1.451 -0.905 1041 HB2 ARG 52 HB3 ARG 52 14.886 -0.544 -0.497 1042 HB3 ARG 52 HB2 ARG 52 16.158 -0.806 -1.713 1043 HG2 ARG 52 HG3 ARG 52 16.714 -0.264 1.235 1044 HG3 ARG 52 HG2 ARG 52 16.673 -1.886 0.499 1045 HD2 ARG 52 HD3 ARG 52 18.477 0.406 -0.379 1046 HD3 ARG 52 HD2 ARG 52 18.999 -0.976 0.615 1047 HE ARG 52 HE ARG 52 17.855 -1.377 -2.047 1048 HH11 ARG 52 HH11 ARG 52 20.404 -1.660 0.311 1049 HH12 ARG 52 HH12 ARG 52 21.342 -2.708 -0.608 1050 HH21 ARG 52 HH21 ARG 52 19.152 -2.826 -3.307 1051 HH22 ARG 52 HH22 ARG 52 20.618 -3.383 -2.703 1052 H LYS 53 H LYS 53 13.624 1.381 -1.558 1053 HA LYS 53 HA LYS 53 13.779 1.265 -4.278 1054 HB2 LYS 53 HB3 LYS 53 11.805 1.303 -2.478 1055 HB3 LYS 53 HB2 LYS 53 11.675 2.995 -3.007 1056 HG2 LYS 53 HG3 LYS 53 11.987 0.975 -5.177 1057 HG3 LYS 53 HG2 LYS 53 10.489 0.842 -4.238 1058 HD2 LYS 53 HD3 LYS 53 11.420 3.397 -5.597 1059 HD3 LYS 53 HD2 LYS 53 10.207 2.265 -6.243 1060 HE2 LYS 53 HE3 LYS 53 8.937 2.539 -4.039 1061 HE3 LYS 53 HE2 LYS 53 10.058 3.871 -3.674 1062 HZ1 LYS 53 HZ1 LYS 53 8.258 4.861 -4.655 1063 HZ2 LYS 53 HZ2 LYS 53 9.346 4.750 -5.918 1064 HZ3 LYS 53 HZ3 LYS 53 8.076 3.675 -5.808 1065 H GLU 54 H GLU 54 14.744 4.003 -2.253 1066 HA GLU 54 HA GLU 54 14.397 5.668 -4.626 1067 HB2 GLU 54 HB3 GLU 54 15.217 6.555 -1.836 1068 HB3 GLU 54 HB2 GLU 54 14.528 7.532 -3.152 1069 HG2 GLU 54 HG3 GLU 54 12.444 5.996 -2.943 1070 HG3 GLU 54 HG2 GLU 54 13.153 5.472 -1.405 1071 H GLN 55 H GLN 55 16.898 4.713 -2.177 1072 HA GLN 55 HA GLN 55 18.755 6.439 -3.363 1073 HB2 GLN 55 HB3 GLN 55 20.415 5.385 -1.971 1074 HB3 GLN 55 HB2 GLN 55 18.925 5.559 -1.015 1075 HG2 GLN 55 HG3 GLN 55 18.357 3.199 -1.436 1076 HG3 GLN 55 HG2 GLN 55 19.780 3.026 -2.490 1077 HE21 GLN 55 HE21 GLN 55 20.726 5.150 -0.103 1078 HE22 GLN 55 HE22 GLN 55 21.391 4.034 0.961 1079 H GLN 56 H GLN 56 17.668 3.291 -4.440 1080 HA GLN 56 HA GLN 56 20.205 2.701 -5.589 1081 HB2 GLN 56 HB3 GLN 56 18.535 0.937 -5.030 1082 HB3 GLN 56 HB2 GLN 56 17.443 1.605 -6.266 1083 HG2 GLN 56 HG3 GLN 56 18.743 -0.308 -7.162 1084 HG3 GLN 56 HG2 GLN 56 19.169 1.201 -8.005 1085 HE21 GLN 56 HE21 GLN 56 20.209 -0.458 -4.941 1086 HE22 GLN 56 HE22 GLN 56 21.845 -0.250 -5.262 1087 H ILE 57 H ILE 57 17.723 4.931 -6.391 1088 HA ILE 57 HA ILE 57 18.601 4.800 -9.170 1089 HB ILE 57 HB ILE 57 16.024 5.916 -7.989 1090 HG12 ILE 57 HG13 ILE 57 16.197 3.429 -7.923 1091 HG13 ILE 57 HG12 ILE 57 14.981 3.968 -9.101 1092 HG21 ILE 57 HG21 ILE 57 15.377 6.115 -10.390 1093 HG22 ILE 57 HG22 ILE 57 16.797 7.117 -10.010 1094 HG23 ILE 57 HG23 ILE 57 17.002 5.568 -10.862 1095 HD11 ILE 57 HD11 ILE 57 17.854 3.185 -9.760 1096 HD12 ILE 57 HD12 ILE 57 16.412 2.183 -10.050 1097 HD13 ILE 57 HD13 ILE 57 16.624 3.714 -10.931 1098 H GLY 58 H GLY 58 18.213 6.921 -6.327 1099 HA2 GLY 58 HA3 GLY 58 19.891 8.783 -6.511 1100 HA3 GLY 58 HA2 GLY 58 19.134 9.068 -8.097 1101 H TRP 59 H TRP 59 17.137 7.914 -5.527 1102 HA TRP 59 HA TRP 59 15.540 8.777 -4.302 1103 HB2 TRP 59 HB3 TRP 59 17.293 10.256 -3.361 1104 HB3 TRP 59 HB2 TRP 59 16.989 11.421 -4.670 1105 HD1 TRP 59 HD1 TRP 59 14.999 9.753 -1.790 1106 HE1 TRP 59 HE1 TRP 59 13.246 11.366 -1.018 1107 HE3 TRP 59 HE3 TRP 59 15.836 13.327 -5.142 1108 HZ2 TRP 59 HZ2 TRP 59 12.364 13.869 -1.771 1109 HZ3 TRP 59 HZ3 TRP 59 14.499 15.351 -5.063 1110 HH2 TRP 59 HH2 TRP 59 12.787 15.616 -3.398 1111 H SER 60 H SER 60 15.052 8.410 -7.039 1112 HA SER 60 HA SER 60 13.031 10.509 -7.272 1113 HB2 SER 60 HB3 SER 60 13.108 10.198 -9.723 1114 HB3 SER 60 HB2 SER 60 14.692 10.720 -9.105 1115 HG SER 60 HG SER 60 15.315 8.549 -9.078 1116 H HIS 61 H HIS 61 13.863 7.330 -6.724 1117 HA HIS 61 HA HIS 61 12.868 5.366 -6.830 1118 HB2 HIS 61 HB3 HIS 61 10.995 5.389 -5.249 1119 HB3 HIS 61 HB2 HIS 61 12.353 6.415 -4.760 1120 HD1 HIS 61 HD1 HIS 61 11.651 8.669 -3.996 1121 HD2 HIS 61 HD2 HIS 61 8.981 7.007 -6.622 1122 HE1 HIS 61 HE1 HIS 61 9.754 10.281 -4.260 1123 HE2 HIS 61 HE2 HIS 61 8.132 9.245 -5.861 1124 HA PRO 62 HA PRO 62 9.490 5.591 -9.873 1125 HB2 PRO 62 HB3 PRO 62 10.649 5.435 -12.289 1126 HB3 PRO 62 HB2 PRO 62 10.751 6.991 -11.395 1127 HG2 PRO 62 HG3 PRO 62 12.826 4.776 -11.560 1128 HG3 PRO 62 HG2 PRO 62 13.069 6.536 -11.793 1129 HD2 PRO 62 HD3 PRO 62 13.476 5.177 -9.370 1130 HD3 PRO 62 HD2 PRO 62 13.097 6.921 -9.509 1131 H GLN 63 H GLN 63 11.390 3.363 -8.617 1132 HA GLN 63 HA GLN 63 11.992 1.634 -10.665 1133 HB2 GLN 63 HB3 GLN 63 11.419 1.101 -7.728 1134 HB3 GLN 63 HB2 GLN 63 12.096 -0.097 -8.855 1135 HG2 GLN 63 HG3 GLN 63 13.988 1.457 -9.346 1136 HG3 GLN 63 HG2 GLN 63 13.329 2.593 -8.143 1137 HE21 GLN 63 HE21 GLN 63 12.603 -0.548 -7.127 1138 HE22 GLN 63 HE22 GLN 63 13.922 -0.765 -6.108 1139 H PHE 64 H PHE 64 8.694 2.242 -9.826 1140 HA PHE 64 HA PHE 64 8.181 -0.550 -10.514 1141 HB2 PHE 64 HB3 PHE 64 6.367 1.641 -9.432 1142 HB3 PHE 64 HB2 PHE 64 5.798 0.048 -9.991 1143 HD1 PHE 64 HD1 PHE 64 8.281 1.541 -7.687 1144 HD2 PHE 64 HD2 PHE 64 5.771 -1.685 -8.530 1145 HE1 PHE 64 HE1 PHE 64 8.820 0.557 -5.554 1146 HE2 PHE 64 HE2 PHE 64 6.321 -2.671 -6.402 1147 HZ PHE 64 HZ PHE 64 7.847 -1.548 -4.912 1148 H GLU 65 H GLU 65 5.935 2.046 -11.362 1149 HA GLU 65 HA GLU 65 6.820 1.623 -14.128 1150 HB2 GLU 65 HB3 GLU 65 3.990 1.792 -12.997 1151 HB3 GLU 65 HB2 GLU 65 4.382 1.844 -14.730 1152 HG2 GLU 65 HG3 GLU 65 5.074 -0.459 -12.850 1153 HG3 GLU 65 HG2 GLU 65 3.720 -0.433 -14.003 1154 H LYS 66 H LYS 66 7.943 3.787 -12.972 1155 HA LYS 66 HA LYS 66 6.062 5.908 -13.726 1156 HB2 LYS 66 HB3 LYS 66 8.235 5.911 -11.588 1157 HB3 LYS 66 HB2 LYS 66 7.279 7.331 -12.077 1158 HG2 LYS 66 HG3 LYS 66 5.190 6.097 -11.473 1159 HG3 LYS 66 HG2 LYS 66 6.185 4.730 -10.917 1160 HD2 LYS 66 HD3 LYS 66 5.577 6.100 -8.993 1161 HD3 LYS 66 HD2 LYS 66 7.321 6.285 -9.296 1162 HE2 LYS 66 HE3 LYS 66 6.913 8.405 -10.478 1163 HE3 LYS 66 HE2 LYS 66 5.155 8.192 -10.294 1164 HZ1 LYS 66 HZ1 LYS 66 7.095 8.455 -8.099 1165 HZ2 LYS 66 HZ2 LYS 66 6.049 9.643 -8.629 1166 HZ3 LYS 66 HZ3 LYS 66 5.446 8.253 -7.930 Start of MODEL 9 1 H1 MET 1 H1 MET 1 -9.734 -16.013 7.161 2 H2 MET 1 H2 MET 1 -11.286 -15.769 6.599 3 H3 MET 1 H3 MET 1 -10.594 -14.668 7.646 4 HA MET 1 HA MET 1 -9.691 -15.241 4.903 5 HB2 MET 1 HB3 MET 1 -11.151 -12.875 6.175 6 HB3 MET 1 HB2 MET 1 -10.490 -12.883 4.522 7 HG2 MET 1 HG3 MET 1 -11.948 -14.761 3.907 8 HG3 MET 1 HG2 MET 1 -12.541 -14.873 5.581 9 HE1 MET 1 HE1 MET 1 -13.072 -11.471 2.623 10 HE2 MET 1 HE2 MET 1 -11.550 -11.930 3.422 11 HE3 MET 1 HE3 MET 1 -12.358 -13.073 2.323 12 H GLU 2 H GLU 2 -7.447 -15.035 4.974 13 HA GLU 2 HA GLU 2 -6.476 -12.962 6.810 14 HB2 GLU 2 HB3 GLU 2 -5.811 -15.272 7.437 15 HB3 GLU 2 HB2 GLU 2 -5.088 -15.493 5.825 16 HG2 GLU 2 HG3 GLU 2 -3.546 -13.601 6.254 17 HG3 GLU 2 HG2 GLU 2 -4.285 -13.361 7.855 18 H LYS 3 H LYS 3 -5.784 -14.615 3.665 19 HA LYS 3 HA LYS 3 -4.251 -12.205 3.044 20 HB2 LYS 3 HB3 LYS 3 -4.233 -14.972 1.758 21 HB3 LYS 3 HB2 LYS 3 -3.161 -13.616 1.332 22 HG2 LYS 3 HG3 LYS 3 -3.328 -14.949 4.072 23 HG3 LYS 3 HG2 LYS 3 -2.043 -15.223 2.872 24 HD2 LYS 3 HD3 LYS 3 -2.736 -12.510 4.082 25 HD3 LYS 3 HD2 LYS 3 -1.398 -13.549 4.628 26 HE2 LYS 3 HE3 LYS 3 -1.731 -12.467 1.795 27 HE3 LYS 3 HE2 LYS 3 -0.626 -11.805 3.023 28 HZ1 LYS 3 HZ1 LYS 3 0.480 -13.327 1.561 29 HZ2 LYS 3 HZ2 LYS 3 0.456 -13.925 3.119 30 HZ3 LYS 3 HZ3 LYS 3 -0.579 -14.550 1.969 31 H ARG 4 H ARG 4 -4.281 -12.034 0.413 32 HA ARG 4 HA ARG 4 -6.743 -10.936 -0.126 33 HB2 ARG 4 HB3 ARG 4 -4.603 -10.387 -1.276 34 HB3 ARG 4 HB2 ARG 4 -4.627 -11.987 -2.048 35 HG2 ARG 4 HG3 ARG 4 -6.847 -11.394 -3.079 36 HG3 ARG 4 HG2 ARG 4 -6.668 -9.751 -2.418 37 HD2 ARG 4 HD3 ARG 4 -5.860 -9.824 -4.747 38 HD3 ARG 4 HD2 ARG 4 -4.488 -9.542 -3.647 39 HE ARG 4 HE ARG 4 -5.166 -12.187 -4.718 40 HH11 ARG 4 HH11 ARG 4 -2.944 -9.643 -3.859 41 HH12 ARG 4 HH12 ARG 4 -1.561 -10.524 -4.220 42 HH21 ARG 4 HH21 ARG 4 -3.257 -13.380 -5.254 43 HH22 ARG 4 HH22 ARG 4 -1.743 -12.681 -5.052 44 HA PRO 5 HA PRO 5 -8.629 -14.891 -1.091 45 HB2 PRO 5 HB3 PRO 5 -11.116 -13.305 -1.333 46 HB3 PRO 5 HB2 PRO 5 -10.777 -14.672 -0.234 47 HG2 PRO 5 HG3 PRO 5 -10.985 -12.111 0.712 48 HG3 PRO 5 HG2 PRO 5 -9.795 -13.270 1.393 49 HD2 PRO 5 HD3 PRO 5 -9.343 -11.140 -0.730 50 HD3 PRO 5 HD2 PRO 5 -8.369 -11.480 0.738 51 H ARG 6 H ARG 6 -10.414 -15.307 -2.961 52 HA ARG 6 HA ARG 6 -9.113 -14.630 -5.277 53 HB2 ARG 6 HB3 ARG 6 -12.042 -15.344 -4.801 54 HB3 ARG 6 HB2 ARG 6 -11.272 -15.268 -6.401 55 HG2 ARG 6 HG3 ARG 6 -11.261 -17.581 -5.653 56 HG3 ARG 6 HG2 ARG 6 -9.592 -16.967 -5.628 57 HD2 ARG 6 HD3 ARG 6 -10.102 -18.248 -3.572 58 HD3 ARG 6 HD2 ARG 6 -9.796 -16.541 -3.187 59 HE ARG 6 HE ARG 6 -12.526 -16.909 -3.632 60 HH11 ARG 6 HH11 ARG 6 -9.971 -17.776 -1.431 61 HH12 ARG 6 HH12 ARG 6 -10.963 -17.877 -0.079 62 HH21 ARG 6 HH21 ARG 6 -13.891 -17.046 -1.761 63 HH22 ARG 6 HH22 ARG 6 -13.234 -17.455 -0.270 64 H THR 7 H THR 7 -8.785 -12.635 -6.006 65 HA THR 7 HA THR 7 -9.059 -10.445 -6.384 66 HB THR 7 HB THR 7 -10.830 -10.107 -8.066 67 HG1 THR 7 HG1 THR 7 -12.377 -11.376 -6.993 68 HG21 THR 7 HG21 THR 7 -9.398 -12.795 -8.262 69 HG22 THR 7 HG22 THR 7 -10.049 -11.859 -9.629 70 HG23 THR 7 HG23 THR 7 -8.695 -11.213 -8.673 71 H GLU 8 H GLU 8 -9.836 -10.386 -3.724 72 HA GLU 8 HA GLU 8 -11.891 -8.408 -4.072 73 HB2 GLU 8 HB3 GLU 8 -13.386 -9.304 -2.376 74 HB3 GLU 8 HB2 GLU 8 -13.212 -10.432 -3.738 75 HG2 GLU 8 HG3 GLU 8 -11.547 -11.728 -2.444 76 HG3 GLU 8 HG2 GLU 8 -11.754 -10.618 -1.066 77 H PHE 9 H PHE 9 -9.014 -8.843 -3.036 78 HA PHE 9 HA PHE 9 -7.657 -7.955 -1.599 79 HB2 PHE 9 HB3 PHE 9 -8.084 -5.635 -0.962 80 HB3 PHE 9 HB2 PHE 9 -8.398 -5.978 -2.671 81 HD1 PHE 9 HD2 PHE 9 -10.136 -5.640 0.562 82 HD2 PHE 9 HD1 PHE 9 -10.379 -5.380 -3.591 83 HE1 PHE 9 HE2 PHE 9 -12.340 -4.683 0.754 84 HE2 PHE 9 HE1 PHE 9 -12.588 -4.431 -3.406 85 HZ PHE 9 HZ PHE 9 -13.566 -4.075 -1.231 86 H SER 10 H SER 10 -6.940 -8.361 0.312 87 HA SER 10 HA SER 10 -8.872 -8.538 2.498 88 HB2 SER 10 HB3 SER 10 -7.324 -10.493 2.097 89 HB3 SER 10 HB2 SER 10 -5.945 -9.404 2.366 90 HG SER 10 HG SER 10 -6.505 -10.519 4.227 91 H GLU 11 H GLU 11 -7.313 -7.818 4.668 92 HA GLU 11 HA GLU 11 -7.167 -5.049 4.321 93 HB2 GLU 11 HB3 GLU 11 -6.140 -5.036 6.558 94 HB3 GLU 11 HB2 GLU 11 -7.559 -6.110 6.511 95 HG2 GLU 11 HG3 GLU 11 -6.084 -8.070 6.229 96 HG3 GLU 11 HG2 GLU 11 -4.651 -7.011 6.237 97 H GLU 12 H GLU 12 -4.823 -7.570 3.708 98 HA GLU 12 HA GLU 12 -2.505 -6.019 3.920 99 HB2 GLU 12 HB3 GLU 12 -2.527 -8.481 3.681 100 HB3 GLU 12 HB2 GLU 12 -3.287 -8.327 2.078 101 HG2 GLU 12 HG3 GLU 12 -1.312 -7.040 1.280 102 HG3 GLU 12 HG2 GLU 12 -0.537 -7.259 2.870 103 H GLN 13 H GLN 13 -4.919 -6.531 1.358 104 HA GLN 13 HA GLN 13 -3.382 -5.106 -0.599 105 HB2 GLN 13 HB3 GLN 13 -6.283 -6.038 -0.442 106 HB3 GLN 13 HB2 GLN 13 -5.415 -5.592 -1.929 107 HG2 GLN 13 HG3 GLN 13 -4.748 -7.923 -0.071 108 HG3 GLN 13 HG2 GLN 13 -5.553 -8.042 -1.648 109 HE21 GLN 13 HE21 GLN 13 -2.601 -8.598 -0.267 110 HE22 GLN 13 HE22 GLN 13 -1.662 -8.286 -1.619 111 H LYS 14 H LYS 14 -6.154 -4.558 1.582 112 HA LYS 14 HA LYS 14 -7.136 -2.240 0.453 113 HB2 LYS 14 HB3 LYS 14 -7.086 -3.364 3.275 114 HB3 LYS 14 HB2 LYS 14 -7.985 -1.890 2.845 115 HG2 LYS 14 HG3 LYS 14 -9.379 -3.054 1.294 116 HG3 LYS 14 HG2 LYS 14 -8.329 -4.482 1.309 117 HD2 LYS 14 HD3 LYS 14 -10.372 -4.902 2.607 118 HD3 LYS 14 HD2 LYS 14 -8.950 -4.932 3.665 119 HE2 LYS 14 HE3 LYS 14 -9.434 -2.589 4.351 120 HE3 LYS 14 HE2 LYS 14 -10.872 -2.602 3.305 121 HZ1 LYS 14 HZ1 LYS 14 -10.381 -4.421 5.560 122 HZ2 LYS 14 HZ2 LYS 14 -11.417 -3.112 5.567 123 HZ3 LYS 14 HZ3 LYS 14 -11.730 -4.418 4.576 124 H LYS 15 H LYS 15 -4.430 -2.648 2.818 125 HA LYS 15 HA LYS 15 -4.232 0.026 3.480 126 HB2 LYS 15 HB3 LYS 15 -2.137 -2.147 3.119 127 HB3 LYS 15 HB2 LYS 15 -1.778 -0.543 3.797 128 HG2 LYS 15 HG3 LYS 15 -3.460 -0.881 5.553 129 HG3 LYS 15 HG2 LYS 15 -3.842 -2.495 4.914 130 HD2 LYS 15 HD3 LYS 15 -1.032 -1.682 5.766 131 HD3 LYS 15 HD2 LYS 15 -2.206 -2.394 6.897 132 HE2 LYS 15 HE3 LYS 15 -0.738 -4.135 5.945 133 HE3 LYS 15 HE2 LYS 15 -2.429 -4.383 5.453 134 HZ1 LYS 15 HZ1 LYS 15 -0.855 -4.610 3.641 135 HZ2 LYS 15 HZ2 LYS 15 -1.946 -3.386 3.371 136 HZ3 LYS 15 HZ3 LYS 15 -0.382 -3.020 3.836 137 H ALA 16 H ALA 16 -3.152 -1.594 0.440 138 HA ALA 16 HA ALA 16 -1.578 0.711 -0.183 139 HB1 ALA 16 HB1 ALA 16 -0.973 -1.532 -1.043 140 HB2 ALA 16 HB2 ALA 16 -2.521 -1.612 -1.920 141 HB3 ALA 16 HB3 ALA 16 -1.300 -0.400 -2.379 142 H LEU 17 H LEU 17 -4.921 0.104 -0.215 143 HA LEU 17 HA LEU 17 -5.291 1.947 -2.453 144 HB2 LEU 17 HB3 LEU 17 -6.949 -0.171 -1.082 145 HB3 LEU 17 HB2 LEU 17 -7.785 1.208 -1.825 146 HG LEU 17 HG LEU 17 -6.931 0.671 -4.005 147 HD11 LEU 17 HD11 LEU 17 -5.223 -1.421 -2.583 148 HD12 LEU 17 HD12 LEU 17 -5.407 -1.277 -4.348 149 HD13 LEU 17 HD13 LEU 17 -4.641 0.035 -3.430 150 HD21 LEU 17 HD21 LEU 17 -8.844 -0.683 -3.260 151 HD22 LEU 17 HD22 LEU 17 -7.761 -1.683 -4.258 152 HD23 LEU 17 HD23 LEU 17 -7.744 -1.851 -2.488 153 H ASP 18 H ASP 18 -4.870 1.863 0.866 154 HA ASP 18 HA ASP 18 -6.863 3.866 1.453 155 HB2 ASP 18 HB3 ASP 18 -6.297 2.072 3.094 156 HB3 ASP 18 HB2 ASP 18 -4.619 2.661 3.137 157 H LEU 19 H LEU 19 -3.293 3.509 1.324 158 HA LEU 19 HA LEU 19 -2.865 6.295 1.734 159 HB2 LEU 19 HB3 LEU 19 -1.225 3.892 0.858 160 HB3 LEU 19 HB2 LEU 19 -0.547 5.534 0.875 161 HG LEU 19 HG LEU 19 -0.954 5.771 3.241 162 HD11 LEU 19 HD11 LEU 19 -1.838 3.889 4.595 163 HD12 LEU 19 HD12 LEU 19 -3.046 4.474 3.430 164 HD13 LEU 19 HD13 LEU 19 -2.152 2.970 3.106 165 HD21 LEU 19 HD21 LEU 19 0.571 4.008 4.077 166 HD22 LEU 19 HD22 LEU 19 0.290 3.060 2.598 167 HD23 LEU 19 HD23 LEU 19 1.124 4.628 2.504 168 H ALA 20 H ALA 20 -4.558 5.482 -0.864 169 HA ALA 20 HA ALA 20 -2.543 6.504 -2.718 170 HB1 ALA 20 HB1 ALA 20 -3.325 4.201 -3.147 171 HB2 ALA 20 HB2 ALA 20 -5.004 4.786 -3.222 172 HB3 ALA 20 HB3 ALA 20 -3.824 5.308 -4.447 173 H PHE 21 H PHE 21 -5.131 7.830 -1.099 174 HA PHE 21 HA PHE 21 -6.649 8.809 -3.250 175 HB2 PHE 21 HB3 PHE 21 -6.204 9.785 -0.398 176 HB3 PHE 21 HB2 PHE 21 -7.374 10.498 -1.534 177 HD1 PHE 21 HD1 PHE 21 -6.340 7.168 -0.325 178 HD2 PHE 21 HD2 PHE 21 -9.479 9.655 -1.496 179 HE1 PHE 21 HE1 PHE 21 -7.914 5.403 0.153 180 HE2 PHE 21 HE2 PHE 21 -11.054 7.897 -1.003 181 HZ PHE 21 HZ PHE 21 -10.266 5.773 -0.199 182 H TYR 22 H TYR 22 -4.824 9.537 -4.721 183 HA TYR 22 HA TYR 22 -3.785 11.225 -5.740 184 HB2 TYR 22 HB3 TYR 22 -5.875 12.468 -5.311 185 HB3 TYR 22 HB2 TYR 22 -5.272 12.935 -3.705 186 HD1 TYR 22 HD2 TYR 22 -4.144 13.012 -7.229 187 HD2 TYR 22 HD1 TYR 22 -4.203 14.920 -3.521 188 HE1 TYR 22 HE2 TYR 22 -2.950 14.878 -8.172 189 HE2 TYR 22 HE1 TYR 22 -3.025 16.796 -4.466 190 HH TYR 22 HH TYR 22 -1.971 17.024 -7.866 191 H PHE 23 H PHE 23 -2.096 9.893 -4.012 192 HA PHE 23 HA PHE 23 -0.747 12.191 -2.768 193 HB2 PHE 23 HB2 PHE 23 -0.747 9.234 -2.034 194 HB3 PHE 23 HB3 PHE 23 0.278 10.470 -1.276 195 HD1 PHE 23 HD2 PHE 23 -1.229 12.647 -0.678 196 HD2 PHE 23 HD1 PHE 23 -2.578 8.701 -0.807 197 HE1 PHE 23 HE2 PHE 23 -2.989 13.197 0.870 198 HE2 PHE 23 HE1 PHE 23 -4.340 9.250 0.741 199 HZ PHE 23 HZ PHE 23 -4.537 11.497 1.592 200 H ASP 24 H ASP 24 -0.387 9.127 -4.594 201 HA ASP 24 HA ASP 24 2.347 10.019 -5.177 202 HB2 ASP 24 HB3 ASP 24 2.610 7.656 -5.984 203 HB3 ASP 24 HB2 ASP 24 2.134 7.715 -4.269 204 H ARG 25 H ARG 25 -0.823 9.152 -6.479 205 HA ARG 25 HA ARG 25 -0.075 10.575 -8.903 206 HB2 ARG 25 HB3 ARG 25 0.373 8.113 -9.219 207 HB3 ARG 25 HB2 ARG 25 -1.313 7.782 -8.793 208 HG2 ARG 25 HG3 ARG 25 -1.217 7.787 -11.186 209 HG3 ARG 25 HG2 ARG 25 -1.956 9.342 -10.746 210 HD2 ARG 25 HD3 ARG 25 0.262 10.446 -10.966 211 HD3 ARG 25 HD2 ARG 25 0.985 8.881 -11.415 212 HE ARG 25 HE ARG 25 -1.171 9.340 -13.087 213 HH11 ARG 25 HH11 ARG 25 1.957 10.684 -12.320 214 HH12 ARG 25 HH12 ARG 25 2.241 11.277 -13.867 215 HH21 ARG 25 HH21 ARG 25 -0.772 10.159 -15.199 216 HH22 ARG 25 HH22 ARG 25 0.660 10.975 -15.537 217 H ARG 26 H ARG 26 -2.915 8.593 -8.945 218 HA ARG 26 HA ARG 26 -4.562 10.054 -7.257 219 HB2 ARG 26 HB3 ARG 26 -4.051 11.779 -9.128 220 HB3 ARG 26 HB2 ARG 26 -5.042 10.750 -10.180 221 HG2 ARG 26 HG3 ARG 26 -6.112 11.505 -7.464 222 HG3 ARG 26 HG2 ARG 26 -6.085 12.752 -8.728 223 HD2 ARG 26 HD3 ARG 26 -7.459 11.426 -10.193 224 HD3 ARG 26 HD2 ARG 26 -7.362 10.020 -9.112 225 HE ARG 26 HE ARG 26 -8.913 11.012 -7.757 226 HH11 ARG 26 HH11 ARG 26 -7.652 13.285 -10.074 227 HH12 ARG 26 HH12 ARG 26 -8.784 14.481 -9.742 228 HH21 ARG 26 HH21 ARG 26 -10.491 12.649 -7.329 229 HH22 ARG 26 HH22 ARG 26 -10.429 14.114 -8.148 230 H LEU 27 H LEU 27 -6.549 8.734 -7.138 231 HA LEU 27 HA LEU 27 -6.217 6.269 -8.480 232 HB2 LEU 27 HB3 LEU 27 -7.312 6.516 -6.283 233 HB3 LEU 27 HB2 LEU 27 -8.625 7.451 -7.027 234 HG LEU 27 HG LEU 27 -9.105 4.982 -6.611 235 HD11 LEU 27 HD11 LEU 27 -10.362 6.399 -8.232 236 HD12 LEU 27 HD12 LEU 27 -9.235 5.893 -9.514 237 HD13 LEU 27 HD13 LEU 27 -10.278 4.691 -8.719 238 HD21 LEU 27 HD21 LEU 27 -6.914 4.077 -7.237 239 HD22 LEU 27 HD22 LEU 27 -8.179 3.393 -8.282 240 HD23 LEU 27 HD23 LEU 27 -7.116 4.678 -8.901 241 H THR 28 H THR 28 -6.242 6.473 -10.667 242 HA THR 28 HA THR 28 -8.784 7.364 -11.828 243 HB THR 28 HB THR 28 -7.452 8.141 -13.769 244 HG1 THR 28 HG1 THR 28 -5.195 8.095 -13.582 245 HG21 THR 28 HG21 THR 28 -6.261 9.206 -11.184 246 HG22 THR 28 HG22 THR 28 -6.253 10.017 -12.765 247 HG23 THR 28 HG23 THR 28 -7.793 9.742 -11.915 248 HA PRO 29 HA PRO 29 -8.780 3.397 -13.712 249 HB2 PRO 29 HB3 PRO 29 -8.216 4.606 -16.421 250 HB3 PRO 29 HB2 PRO 29 -9.462 3.397 -15.976 251 HG2 PRO 29 HG3 PRO 29 -10.150 5.990 -16.331 252 HG3 PRO 29 HG2 PRO 29 -10.827 5.074 -14.947 253 HD2 PRO 29 HD3 PRO 29 -8.535 7.049 -14.969 254 HD3 PRO 29 HD2 PRO 29 -9.841 6.850 -13.752 255 H GLU 30 H GLU 30 -6.146 5.532 -14.685 256 HA GLU 30 HA GLU 30 -4.529 3.393 -15.613 257 HB2 GLU 30 HB3 GLU 30 -3.886 6.201 -14.605 258 HB3 GLU 30 HB2 GLU 30 -2.702 5.091 -15.331 259 HG2 GLU 30 HG3 GLU 30 -3.512 6.618 -17.045 260 HG3 GLU 30 HG2 GLU 30 -4.122 4.984 -17.395 261 H TRP 31 H TRP 31 -4.949 5.094 -12.453 262 HA TRP 31 HA TRP 31 -2.782 3.648 -11.341 263 HB2 TRP 31 HB3 TRP 31 -3.688 5.838 -10.457 264 HB3 TRP 31 HB2 TRP 31 -5.127 4.947 -9.901 265 HD1 TRP 31 HD1 TRP 31 -4.868 4.157 -7.447 266 HE1 TRP 31 HE1 TRP 31 -2.984 3.527 -5.927 267 HE3 TRP 31 HE3 TRP 31 -1.138 4.800 -10.672 268 HZ2 TRP 31 HZ2 TRP 31 -0.247 3.276 -6.134 269 HZ3 TRP 31 HZ3 TRP 31 1.134 4.353 -9.944 270 HH2 TRP 31 HH2 TRP 31 1.569 3.585 -7.708 271 H ARG 32 H ARG 32 -6.244 3.051 -11.809 272 HA ARG 32 HA ARG 32 -6.478 0.971 -9.945 273 HB2 ARG 32 HB3 ARG 32 -7.831 1.427 -12.644 274 HB3 ARG 32 HB2 ARG 32 -8.318 0.198 -11.460 275 HG2 ARG 32 HG3 ARG 32 -8.824 1.959 -9.807 276 HG3 ARG 32 HG2 ARG 32 -8.312 3.201 -10.975 277 HD2 ARG 32 HD3 ARG 32 -10.040 2.225 -12.593 278 HD3 ARG 32 HD2 ARG 32 -10.632 1.253 -11.228 279 HE ARG 32 HE ARG 32 -10.851 3.557 -10.134 280 HH11 ARG 32 HH11 ARG 32 -11.270 2.726 -13.481 281 HH12 ARG 32 HH12 ARG 32 -12.394 3.932 -13.807 282 HH21 ARG 32 HH21 ARG 32 -12.396 5.247 -10.586 283 HH22 ARG 32 HH22 ARG 32 -13.046 5.393 -12.128 284 H ARG 33 H ARG 33 -5.575 0.998 -13.472 285 HA ARG 33 HA ARG 33 -5.327 -1.831 -13.289 286 HB2 ARG 33 HB3 ARG 33 -4.485 -1.700 -15.626 287 HB3 ARG 33 HB2 ARG 33 -6.046 -0.892 -15.388 288 HG2 ARG 33 HG3 ARG 33 -4.916 0.676 -16.669 289 HG3 ARG 33 HG2 ARG 33 -4.601 1.261 -15.022 290 HD2 ARG 33 HD3 ARG 33 -2.416 -0.060 -15.096 291 HD3 ARG 33 HD2 ARG 33 -2.749 -0.370 -16.813 292 HE ARG 33 HE ARG 33 -2.983 2.359 -16.338 293 HH11 ARG 33 HH11 ARG 33 -0.625 -0.203 -16.339 294 HH12 ARG 33 HH12 ARG 33 0.669 0.784 -16.753 295 HH21 ARG 33 HH21 ARG 33 -1.204 3.715 -16.902 296 HH22 ARG 33 HH22 ARG 33 0.333 3.062 -17.081 297 H TYR 34 H TYR 34 -3.226 0.874 -12.627 298 HA TYR 34 HA TYR 34 -0.797 -0.456 -13.079 299 HB2 TYR 34 HB3 TYR 34 -0.951 1.995 -12.536 300 HB3 TYR 34 HB2 TYR 34 -1.521 1.557 -10.904 301 HD1 TYR 34 HD2 TYR 34 1.264 0.991 -13.248 302 HD2 TYR 34 HD1 TYR 34 0.022 1.037 -9.264 303 HE1 TYR 34 HE2 TYR 34 3.539 0.644 -12.536 304 HE2 TYR 34 HE1 TYR 34 2.296 0.679 -8.551 305 HH TYR 34 HH TYR 34 5.080 0.344 -10.760 306 H LEU 35 H LEU 35 -2.990 -0.186 -10.261 307 HA LEU 35 HA LEU 35 -1.358 -1.803 -8.618 308 HB2 LEU 35 HB3 LEU 35 -4.304 -1.026 -8.565 309 HB3 LEU 35 HB2 LEU 35 -3.507 -1.958 -7.277 310 HG LEU 35 HG LEU 35 -2.612 0.801 -8.220 311 HD11 LEU 35 HD11 LEU 35 -4.207 -0.108 -5.787 312 HD12 LEU 35 HD12 LEU 35 -3.545 1.526 -6.004 313 HD13 LEU 35 HD13 LEU 35 -4.799 0.921 -7.113 314 HD21 LEU 35 HD21 LEU 35 -0.807 -0.612 -7.286 315 HD22 LEU 35 HD22 LEU 35 -1.223 0.701 -6.158 316 HD23 LEU 35 HD23 LEU 35 -1.808 -0.953 -5.854 317 H SER 36 H SER 36 -4.424 -2.486 -10.422 318 HA SER 36 HA SER 36 -4.940 -4.940 -9.574 319 HB2 SER 36 HB3 SER 36 -6.000 -5.354 -11.690 320 HB3 SER 36 HB2 SER 36 -6.135 -3.607 -11.375 321 HG SER 36 HG SER 36 -4.205 -3.375 -12.641 322 H GLN 37 H GLN 37 -2.623 -4.285 -12.263 323 HA GLN 37 HA GLN 37 -2.130 -6.947 -12.813 324 HB2 GLN 37 HB3 GLN 37 -1.480 -4.997 -14.224 325 HB3 GLN 37 HB2 GLN 37 -0.276 -4.531 -13.002 326 HG2 GLN 37 HG3 GLN 37 0.813 -5.812 -14.792 327 HG3 GLN 37 HG2 GLN 37 0.819 -6.772 -13.295 328 HE21 GLN 37 HE21 GLN 37 0.287 -8.908 -13.706 329 HE22 GLN 37 HE22 GLN 37 -0.822 -9.395 -14.869 330 H ARG 38 H ARG 38 -0.700 -4.829 -10.294 331 HA ARG 38 HA ARG 38 1.069 -7.086 -9.712 332 HB2 ARG 38 HB3 ARG 38 1.305 -4.112 -9.043 333 HB3 ARG 38 HB2 ARG 38 2.541 -5.360 -8.737 334 HG2 ARG 38 HG3 ARG 38 2.604 -5.834 -11.207 335 HG3 ARG 38 HG2 ARG 38 1.435 -4.519 -11.455 336 HD2 ARG 38 HD3 ARG 38 3.646 -3.646 -11.907 337 HD3 ARG 38 HD2 ARG 38 3.075 -2.937 -10.378 338 HE ARG 38 HE ARG 38 4.527 -5.283 -9.876 339 HH11 ARG 38 HH11 ARG 38 4.872 -1.984 -10.969 340 HH12 ARG 38 HH12 ARG 38 6.450 -1.819 -10.416 341 HH21 ARG 38 HH21 ARG 38 6.689 -5.037 -9.136 342 HH22 ARG 38 HH22 ARG 38 7.503 -3.581 -9.353 343 H LEU 39 H LEU 39 -1.862 -5.956 -8.702 344 HA LEU 39 HA LEU 39 -1.086 -6.144 -5.890 345 HB2 LEU 39 HB3 LEU 39 -2.271 -4.068 -6.688 346 HB3 LEU 39 HB2 LEU 39 -3.658 -5.086 -7.135 347 HG LEU 39 HG LEU 39 -3.828 -5.831 -4.753 348 HD11 LEU 39 HD11 LEU 39 -1.636 -3.741 -4.349 349 HD12 LEU 39 HD12 LEU 39 -2.483 -4.614 -3.051 350 HD13 LEU 39 HD13 LEU 39 -1.426 -5.500 -4.177 351 HD21 LEU 39 HD21 LEU 39 -3.755 -2.801 -5.138 352 HD22 LEU 39 HD22 LEU 39 -5.124 -3.861 -5.542 353 HD23 LEU 39 HD23 LEU 39 -4.627 -3.659 -3.847 354 H GLY 40 H GLY 40 -3.516 -7.336 -8.311 355 HA2 GLY 40 HA3 GLY 40 -3.534 -9.795 -8.247 356 HA3 GLY 40 HA2 GLY 40 -3.724 -9.626 -6.494 357 H LEU 41 H LEU 41 -5.575 -7.136 -7.622 358 HA LEU 41 HA LEU 41 -7.787 -8.956 -8.165 359 HB2 LEU 41 HB3 LEU 41 -9.259 -7.285 -6.957 360 HB3 LEU 41 HB2 LEU 41 -8.232 -8.312 -5.939 361 HG LEU 41 HG LEU 41 -8.349 -5.774 -5.394 362 HD11 LEU 41 HD11 LEU 41 -6.045 -5.822 -4.619 363 HD12 LEU 41 HD12 LEU 41 -6.731 -7.455 -4.465 364 HD13 LEU 41 HD13 LEU 41 -5.625 -7.077 -5.808 365 HD21 LEU 41 HD21 LEU 41 -6.414 -5.795 -7.758 366 HD22 LEU 41 HD22 LEU 41 -7.991 -4.970 -7.706 367 HD23 LEU 41 HD23 LEU 41 -6.670 -4.433 -6.645 368 H ASN 42 H ASN 42 -9.731 -7.380 -9.080 369 HA ASN 42 HA ASN 42 -8.359 -6.325 -11.380 370 HB2 ASN 42 HB3 ASN 42 -10.332 -7.919 -11.430 371 HB3 ASN 42 HB2 ASN 42 -11.354 -6.588 -10.846 372 HD21 ASN 42 HD21 ASN 42 -12.541 -5.925 -12.645 373 HD22 ASN 42 HD22 ASN 42 -11.851 -5.591 -14.141 374 H GLU 43 H GLU 43 -9.380 -4.263 -12.379 375 HA GLU 43 HA GLU 43 -8.885 -2.126 -10.717 376 HB2 GLU 43 HB3 GLU 43 -10.628 -2.334 -13.215 377 HB3 GLU 43 HB2 GLU 43 -10.022 -0.817 -12.511 378 HG2 GLU 43 HG3 GLU 43 -7.689 -1.607 -12.837 379 HG3 GLU 43 HG2 GLU 43 -8.306 -3.107 -13.571 380 H GLU 44 H GLU 44 -11.905 -3.911 -11.332 381 HA GLU 44 HA GLU 44 -13.634 -1.970 -10.300 382 HB2 GLU 44 HB3 GLU 44 -13.718 -5.025 -10.354 383 HB3 GLU 44 HB2 GLU 44 -15.100 -3.990 -9.924 384 HG2 GLU 44 HG3 GLU 44 -13.596 -3.953 -12.579 385 HG3 GLU 44 HG2 GLU 44 -15.217 -4.632 -12.301 386 H GLN 45 H GLN 45 -11.566 -4.462 -8.761 387 HA GLN 45 HA GLN 45 -12.871 -4.068 -6.258 388 HB2 GLN 45 HB3 GLN 45 -10.222 -5.404 -6.964 389 HB3 GLN 45 HB2 GLN 45 -11.102 -5.564 -5.426 390 HG2 GLN 45 HG3 GLN 45 -12.107 -6.422 -8.172 391 HG3 GLN 45 HG2 GLN 45 -11.573 -7.501 -6.863 392 HE21 GLN 45 HE21 GLN 45 -12.796 -6.741 -4.618 393 HE22 GLN 45 HE22 GLN 45 -14.458 -6.612 -4.825 394 H ILE 46 H ILE 46 -10.568 -2.245 -8.039 395 HA ILE 46 HA ILE 46 -9.134 -1.334 -5.733 396 HB ILE 46 HB ILE 46 -9.520 -0.083 -8.496 397 HG12 ILE 46 HG13 ILE 46 -8.358 -2.299 -8.564 398 HG13 ILE 46 HG12 ILE 46 -7.284 -0.951 -9.005 399 HG21 ILE 46 HG21 ILE 46 -7.521 0.482 -6.263 400 HG22 ILE 46 HG22 ILE 46 -7.532 1.256 -7.865 401 HG23 ILE 46 HG23 ILE 46 -8.880 1.531 -6.735 402 HD11 ILE 46 HD11 ILE 46 -6.429 -0.896 -6.662 403 HD12 ILE 46 HD12 ILE 46 -7.454 -2.299 -6.276 404 HD13 ILE 46 HD13 ILE 46 -6.128 -2.462 -7.452 405 H GLU 47 H GLU 47 -11.821 -0.282 -7.840 406 HA GLU 47 HA GLU 47 -12.337 2.116 -6.543 407 HB2 GLU 47 HB3 GLU 47 -14.165 0.161 -8.006 408 HB3 GLU 47 HB2 GLU 47 -14.602 1.830 -7.569 409 HG2 GLU 47 HG3 GLU 47 -12.696 2.685 -8.896 410 HG3 GLU 47 HG2 GLU 47 -12.257 1.019 -9.343 411 H ARG 48 H ARG 48 -13.499 -1.225 -5.798 412 HA ARG 48 HA ARG 48 -15.468 -0.403 -4.043 413 HB2 ARG 48 HB3 ARG 48 -13.915 -2.920 -4.465 414 HB3 ARG 48 HB2 ARG 48 -14.734 -2.710 -2.897 415 HG2 ARG 48 HG3 ARG 48 -16.302 -3.775 -4.423 416 HG3 ARG 48 HG2 ARG 48 -16.842 -2.108 -4.114 417 HD2 ARG 48 HD3 ARG 48 -15.702 -1.401 -6.238 418 HD3 ARG 48 HD2 ARG 48 -15.306 -3.111 -6.542 419 HE ARG 48 HE ARG 48 -18.045 -2.873 -6.095 420 HH11 ARG 48 HH11 ARG 48 -15.516 -2.025 -8.319 421 HH12 ARG 48 HH12 ARG 48 -16.491 -2.027 -9.687 422 HH21 ARG 48 HH21 ARG 48 -19.412 -2.877 -7.981 423 HH22 ARG 48 HH22 ARG 48 -18.762 -2.519 -9.489 424 H TRP 49 H TRP 49 -12.093 -1.465 -3.010 425 HA TRP 49 HA TRP 49 -12.823 -0.554 -0.442 426 HB2 TRP 49 HB3 TRP 49 -11.009 -2.203 -0.659 427 HB3 TRP 49 HB2 TRP 49 -10.012 -0.992 -1.512 428 HD1 TRP 49 HD1 TRP 49 -8.440 0.235 0.174 429 HE1 TRP 49 HE1 TRP 49 -8.564 1.002 2.549 430 HE3 TRP 49 HE3 TRP 49 -12.991 -1.472 1.191 431 HZ2 TRP 49 HZ2 TRP 49 -10.422 0.894 4.585 432 HZ3 TRP 49 HZ3 TRP 49 -13.922 -1.088 3.399 433 HH2 TRP 49 HH2 TRP 49 -12.653 0.078 5.072 434 H PHE 50 H PHE 50 -11.363 1.054 -3.245 435 HA PHE 50 HA PHE 50 -10.218 3.178 -1.908 436 HB2 PHE 50 HB3 PHE 50 -10.025 2.674 -4.363 437 HB3 PHE 50 HB2 PHE 50 -11.715 3.193 -4.559 438 HD1 PHE 50 HD2 PHE 50 -8.451 4.339 -3.309 439 HD2 PHE 50 HD1 PHE 50 -12.169 5.438 -4.859 440 HE1 PHE 50 HE2 PHE 50 -7.694 6.618 -3.507 441 HE2 PHE 50 HE1 PHE 50 -11.418 7.721 -5.036 442 HZ PHE 50 HZ PHE 50 -9.179 8.310 -4.368 443 H ARG 51 H ARG 51 -13.642 2.838 -3.115 444 HA ARG 51 HA ARG 51 -14.151 5.386 -1.943 445 HB2 ARG 51 HB3 ARG 51 -16.435 5.107 -2.702 446 HB3 ARG 51 HB2 ARG 51 -15.287 4.710 -3.994 447 HG2 ARG 51 HG3 ARG 51 -16.678 2.920 -4.241 448 HG3 ARG 51 HG2 ARG 51 -15.628 2.231 -2.981 449 HD2 ARG 51 HD3 ARG 51 -17.233 2.966 -1.250 450 HD3 ARG 51 HD2 ARG 51 -18.250 3.729 -2.491 451 HE ARG 51 HE ARG 51 -17.703 0.852 -2.478 452 HH11 ARG 51 HH11 ARG 51 -19.788 3.637 -2.641 453 HH12 ARG 51 HH12 ARG 51 -21.185 2.763 -2.966 454 HH21 ARG 51 HH21 ARG 51 -19.634 -0.350 -2.935 455 HH22 ARG 51 HH22 ARG 51 -21.096 0.453 -3.137 456 H ARG 52 H ARG 52 -14.655 1.971 -0.923 457 HA ARG 52 HA ARG 52 -16.294 2.754 1.233 458 HB2 ARG 52 HB3 ARG 52 -14.477 0.359 0.792 459 HB3 ARG 52 HB2 ARG 52 -15.561 0.518 2.191 460 HG2 ARG 52 HG3 ARG 52 -16.613 0.738 -0.650 461 HG3 ARG 52 HG2 ARG 52 -16.382 -0.836 0.143 462 HD2 ARG 52 HD3 ARG 52 -18.637 -0.250 0.604 463 HD3 ARG 52 HD2 ARG 52 -17.742 0.074 2.104 464 HE ARG 52 HE ARG 52 -17.955 2.345 0.395 465 HH11 ARG 52 HH11 ARG 52 -19.485 0.335 2.787 466 HH12 ARG 52 HH12 ARG 52 -20.533 1.525 3.344 467 HH21 ARG 52 HH21 ARG 52 -19.412 3.989 1.162 468 HH22 ARG 52 HH22 ARG 52 -20.489 3.643 2.405 469 H LYS 53 H LYS 53 -12.855 3.127 0.714 470 HA LYS 53 HA LYS 53 -12.138 2.986 3.438 471 HB2 LYS 53 HB3 LYS 53 -10.567 2.805 1.551 472 HB3 LYS 53 HB2 LYS 53 -10.948 4.460 1.054 473 HG2 LYS 53 HG3 LYS 53 -9.786 3.814 3.796 474 HG3 LYS 53 HG2 LYS 53 -8.779 4.112 2.359 475 HD2 LYS 53 HD3 LYS 53 -10.229 6.252 2.056 476 HD3 LYS 53 HD2 LYS 53 -10.656 6.022 3.759 477 HE2 LYS 53 HE3 LYS 53 -7.779 6.102 2.751 478 HE3 LYS 53 HE2 LYS 53 -8.656 7.553 3.275 479 HZ1 LYS 53 HZ1 LYS 53 -8.969 6.538 5.406 480 HZ2 LYS 53 HZ2 LYS 53 -8.114 5.185 4.926 481 HZ3 LYS 53 HZ3 LYS 53 -7.355 6.670 5.030 482 H GLU 54 H GLU 54 -13.534 5.520 1.335 483 HA GLU 54 HA GLU 54 -13.273 7.292 3.614 484 HB2 GLU 54 HB3 GLU 54 -13.756 9.112 2.070 485 HB3 GLU 54 HB2 GLU 54 -12.389 8.134 1.499 486 HG2 GLU 54 HG3 GLU 54 -13.971 6.913 -0.031 487 HG3 GLU 54 HG2 GLU 54 -15.251 8.038 0.481 488 H GLN 55 H GLN 55 -15.875 6.230 1.303 489 HA GLN 55 HA GLN 55 -17.738 7.690 2.830 490 HB2 GLN 55 HB3 GLN 55 -18.096 5.499 0.747 491 HB3 GLN 55 HB2 GLN 55 -19.414 6.480 1.427 492 HG2 GLN 55 HG3 GLN 55 -17.017 7.544 -0.130 493 HG3 GLN 55 HG2 GLN 55 -18.683 7.402 -0.729 494 HE21 GLN 55 HE21 GLN 55 -16.577 9.671 0.435 495 HE22 GLN 55 HE22 GLN 55 -17.687 10.699 1.166 496 H GLN 56 H GLN 56 -16.313 4.604 3.581 497 HA GLN 56 HA GLN 56 -18.753 3.557 4.618 498 HB2 GLN 56 HB3 GLN 56 -16.818 2.083 4.109 499 HB3 GLN 56 HB2 GLN 56 -15.863 2.920 5.359 500 HG2 GLN 56 HG3 GLN 56 -17.500 2.240 7.078 501 HG3 GLN 56 HG2 GLN 56 -18.486 1.433 5.836 502 HE21 GLN 56 HE21 GLN 56 -17.777 -0.299 7.730 503 HE22 GLN 56 HE22 GLN 56 -16.457 -1.228 7.262 504 H ILE 57 H ILE 57 -16.160 5.700 5.793 505 HA ILE 57 HA ILE 57 -17.363 5.491 8.429 506 HB ILE 57 HB ILE 57 -15.162 5.639 8.994 507 HG12 ILE 57 HG13 ILE 57 -14.114 7.982 8.626 508 HG13 ILE 57 HG12 ILE 57 -15.662 8.439 7.891 509 HG21 ILE 57 HG21 ILE 57 -14.668 6.701 6.177 510 HG22 ILE 57 HG22 ILE 57 -13.432 6.081 7.294 511 HG23 ILE 57 HG23 ILE 57 -14.665 4.982 6.637 512 HD11 ILE 57 HD11 ILE 57 -15.258 7.311 10.702 513 HD12 ILE 57 HD12 ILE 57 -15.619 9.007 10.304 514 HD13 ILE 57 HD13 ILE 57 -16.829 7.742 9.987 515 H GLY 58 H GLY 58 -17.296 7.655 5.630 516 HA2 GLY 58 HA3 GLY 58 -19.181 9.253 5.808 517 HA3 GLY 58 HA2 GLY 58 -18.572 9.568 7.448 518 H TRP 59 H TRP 59 -16.128 8.984 5.099 519 HA TRP 59 HA TRP 59 -14.865 10.311 3.838 520 HB2 TRP 59 HB3 TRP 59 -16.824 11.828 3.405 521 HB3 TRP 59 HB2 TRP 59 -16.356 12.737 4.868 522 HD1 TRP 59 HD1 TRP 59 -14.758 11.682 1.505 523 HE1 TRP 59 HE1 TRP 59 -13.048 13.402 0.880 524 HE3 TRP 59 HE3 TRP 59 -15.081 14.486 5.599 525 HZ2 TRP 59 HZ2 TRP 59 -11.991 15.676 2.028 526 HZ3 TRP 59 HZ3 TRP 59 -13.679 16.458 5.786 527 HH2 TRP 59 HH2 TRP 59 -12.155 17.043 4.024 528 H SER 60 H SER 60 -15.074 10.323 7.252 529 HA SER 60 HA SER 60 -12.927 12.215 7.491 530 HB2 SER 60 HB3 SER 60 -14.025 10.158 9.457 531 HB3 SER 60 HB2 SER 60 -12.790 11.380 9.835 532 HG SER 60 HG SER 60 -15.411 11.850 8.874 533 H HIS 61 H HIS 61 -13.366 8.989 6.562 534 HA HIS 61 HA HIS 61 -12.035 7.261 6.216 535 HB2 HIS 61 HB3 HIS 61 -10.389 7.834 4.552 536 HB3 HIS 61 HB2 HIS 61 -11.885 8.742 4.290 537 HD1 HIS 61 HD1 HIS 61 -11.662 11.364 4.878 538 HD2 HIS 61 HD2 HIS 61 -8.208 9.181 4.968 539 HE1 HIS 61 HE1 HIS 61 -9.758 12.985 4.860 540 HE2 HIS 61 HE2 HIS 61 -7.653 11.630 4.916 541 HA PRO 62 HA PRO 62 -8.366 7.729 8.901 542 HB2 PRO 62 HB3 PRO 62 -9.099 6.869 11.345 543 HB3 PRO 62 HB2 PRO 62 -9.598 8.508 10.806 544 HG2 PRO 62 HG3 PRO 62 -11.208 5.931 10.734 545 HG3 PRO 62 HG2 PRO 62 -11.719 7.530 11.362 546 HD2 PRO 62 HD3 PRO 62 -12.258 6.603 8.785 547 HD3 PRO 62 HD2 PRO 62 -12.126 8.340 9.213 548 H GLN 63 H GLN 63 -9.941 5.397 7.442 549 HA GLN 63 HA GLN 63 -10.035 3.171 8.876 550 HB2 GLN 63 HB3 GLN 63 -9.108 3.449 6.003 551 HB3 GLN 63 HB2 GLN 63 -9.748 1.961 6.743 552 HG2 GLN 63 HG3 GLN 63 -11.261 4.607 6.700 553 HG3 GLN 63 HG2 GLN 63 -11.460 3.344 5.460 554 HE21 GLN 63 HE21 GLN 63 -13.249 2.089 5.869 555 HE22 GLN 63 HE22 GLN 63 -13.750 1.637 7.409 556 H PHE 64 H PHE 64 -7.026 3.624 6.808 557 HA PHE 64 HA PHE 64 -5.896 1.877 8.869 558 HB2 PHE 64 HB3 PHE 64 -5.054 2.347 5.982 559 HB3 PHE 64 HB2 PHE 64 -4.107 1.421 7.162 560 HD1 PHE 64 HD2 PHE 64 -4.846 -0.691 7.924 561 HD2 PHE 64 HD1 PHE 64 -7.134 1.420 5.147 562 HE1 PHE 64 HE2 PHE 64 -6.066 -2.700 7.405 563 HE2 PHE 64 HE1 PHE 64 -8.363 -0.584 4.639 564 HZ PHE 64 HZ PHE 64 -7.824 -2.649 5.760 565 H GLU 65 H GLU 65 -6.033 5.118 8.098 566 HA GLU 65 HA GLU 65 -3.212 5.462 8.643 567 HB2 GLU 65 HB3 GLU 65 -3.681 7.847 8.143 568 HB3 GLU 65 HB2 GLU 65 -4.242 6.770 6.840 569 HG2 GLU 65 HG3 GLU 65 -6.526 6.785 8.015 570 HG3 GLU 65 HG2 GLU 65 -5.913 8.168 8.952 571 H LYS 66 H LYS 66 -6.075 5.088 10.415 572 HA LYS 66 HA LYS 66 -5.806 6.958 12.408 573 HB2 LYS 66 HB3 LYS 66 -6.901 5.264 13.829 574 HB3 LYS 66 HB2 LYS 66 -7.651 5.283 12.217 575 HG2 LYS 66 HG3 LYS 66 -6.217 3.357 11.547 576 HG3 LYS 66 HG2 LYS 66 -5.496 3.340 13.174 577 HD2 LYS 66 HD3 LYS 66 -7.745 2.935 14.153 578 HD3 LYS 66 HD2 LYS 66 -8.447 2.920 12.518 579 HE2 LYS 66 HE3 LYS 66 -6.991 1.000 11.917 580 HE3 LYS 66 HE2 LYS 66 -6.301 1.013 13.558 581 HZ1 LYS 66 HZ1 LYS 66 -9.138 0.616 12.886 582 HZ2 LYS 66 HZ2 LYS 66 -8.067 -0.580 13.343 583 HZ3 LYS 66 HZ3 LYS 66 -8.487 0.622 14.422 584 H1 MET 1 H1 MET 1 9.872 -15.923 -7.383 585 H2 MET 1 H2 MET 1 11.418 -15.701 -6.796 586 H3 MET 1 H3 MET 1 10.750 -14.578 -7.835 587 HA MET 1 HA MET 1 9.804 -15.185 -5.113 588 HB2 MET 1 HB3 MET 1 11.302 -12.814 -6.330 589 HB3 MET 1 HB2 MET 1 10.623 -12.842 -4.685 590 HG2 MET 1 HG3 MET 1 12.056 -14.742 -4.083 591 HG3 MET 1 HG2 MET 1 12.665 -14.837 -5.752 592 HE1 MET 1 HE1 MET 1 13.208 -11.482 -2.741 593 HE2 MET 1 HE2 MET 1 11.687 -11.910 -3.561 594 HE3 MET 1 HE3 MET 1 12.471 -13.080 -2.471 595 H GLU 2 H GLU 2 7.560 -14.960 -5.220 596 HA GLU 2 HA GLU 2 6.641 -12.844 -7.033 597 HB2 GLU 2 HB3 GLU 2 5.966 -15.131 -7.722 598 HB3 GLU 2 HB2 GLU 2 5.208 -15.380 -6.130 599 HG2 GLU 2 HG3 GLU 2 3.697 -13.460 -6.546 600 HG3 GLU 2 HG2 GLU 2 4.472 -13.190 -8.125 601 H LYS 3 H LYS 3 5.885 -14.542 -3.928 602 HA LYS 3 HA LYS 3 4.341 -12.142 -3.299 603 HB2 LYS 3 HB3 LYS 3 4.311 -14.924 -2.048 604 HB3 LYS 3 HB2 LYS 3 3.231 -13.576 -1.620 605 HG2 LYS 3 HG3 LYS 3 3.441 -14.878 -4.372 606 HG3 LYS 3 HG2 LYS 3 2.135 -15.160 -3.197 607 HD2 LYS 3 HD3 LYS 3 2.856 -12.436 -4.365 608 HD3 LYS 3 HD2 LYS 3 1.528 -13.465 -4.949 609 HE2 LYS 3 HE3 LYS 3 1.807 -12.419 -2.097 610 HE3 LYS 3 HE2 LYS 3 0.730 -11.736 -3.338 611 HZ1 LYS 3 HZ1 LYS 3 -0.413 -13.273 -1.921 612 HZ2 LYS 3 HZ2 LYS 3 -0.357 -13.850 -3.485 613 HZ3 LYS 3 HZ3 LYS 3 0.650 -14.494 -2.321 614 H ARG 4 H ARG 4 4.337 -12.015 -0.655 615 HA ARG 4 HA ARG 4 6.787 -10.911 -0.077 616 HB2 ARG 4 HB3 ARG 4 4.639 -10.392 1.067 617 HB3 ARG 4 HB2 ARG 4 4.664 -12.007 1.810 618 HG2 ARG 4 HG3 ARG 4 6.870 -11.427 2.872 619 HG3 ARG 4 HG2 ARG 4 6.698 -9.773 2.234 620 HD2 ARG 4 HD3 ARG 4 5.871 -9.878 4.553 621 HD3 ARG 4 HD2 ARG 4 4.507 -9.582 3.447 622 HE ARG 4 HE ARG 4 5.177 -12.243 4.480 623 HH11 ARG 4 HH11 ARG 4 2.961 -9.677 3.672 624 HH12 ARG 4 HH12 ARG 4 1.577 -10.562 4.017 625 HH21 ARG 4 HH21 ARG 4 3.265 -13.442 4.992 626 HH22 ARG 4 HH22 ARG 4 1.753 -12.734 4.806 627 HA PRO 5 HA PRO 5 8.687 -14.871 0.831 628 HB2 PRO 5 HB3 PRO 5 11.171 -13.288 1.095 629 HB3 PRO 5 HB2 PRO 5 10.830 -14.631 -0.031 630 HG2 PRO 5 HG3 PRO 5 11.035 -12.050 -0.924 631 HG3 PRO 5 HG2 PRO 5 9.845 -13.197 -1.627 632 HD2 PRO 5 HD3 PRO 5 9.396 -11.116 0.546 633 HD3 PRO 5 HD2 PRO 5 8.422 -11.419 -0.930 634 H ARG 6 H ARG 6 10.477 -15.307 2.695 635 HA ARG 6 HA ARG 6 9.183 -14.659 5.024 636 HB2 ARG 6 HB3 ARG 6 12.115 -15.353 4.530 637 HB3 ARG 6 HB2 ARG 6 11.346 -15.306 6.132 638 HG2 ARG 6 HG3 ARG 6 11.348 -17.607 5.350 639 HG3 ARG 6 HG2 ARG 6 9.675 -17.002 5.333 640 HD2 ARG 6 HD3 ARG 6 10.193 -18.250 3.258 641 HD3 ARG 6 HD2 ARG 6 9.880 -16.538 2.899 642 HE ARG 6 HE ARG 6 12.611 -16.903 3.341 643 HH11 ARG 6 HH11 ARG 6 10.061 -17.743 1.124 644 HH12 ARG 6 HH12 ARG 6 11.054 -17.818 -0.228 645 HH21 ARG 6 HH21 ARG 6 13.978 -17.004 1.470 646 HH22 ARG 6 HH22 ARG 6 13.324 -17.391 -0.028 647 H THR 7 H THR 7 8.852 -12.668 5.768 648 HA THR 7 HA THR 7 9.124 -10.481 6.164 649 HB THR 7 HB THR 7 10.895 -10.156 7.849 650 HG1 THR 7 HG1 THR 7 12.443 -11.412 6.765 651 HG21 THR 7 HG21 THR 7 9.467 -12.849 8.022 652 HG22 THR 7 HG22 THR 7 10.118 -11.924 9.397 653 HG23 THR 7 HG23 THR 7 8.762 -11.271 8.447 654 H GLU 8 H GLU 8 9.900 -10.391 3.503 655 HA GLU 8 HA GLU 8 11.958 -8.421 3.875 656 HB2 GLU 8 HB3 GLU 8 13.453 -9.300 2.168 657 HB3 GLU 8 HB2 GLU 8 13.278 -10.441 3.520 658 HG2 GLU 8 HG3 GLU 8 11.612 -11.724 2.215 659 HG3 GLU 8 HG2 GLU 8 11.822 -10.602 0.846 660 H PHE 9 H PHE 9 9.082 -8.840 2.836 661 HA PHE 9 HA PHE 9 7.727 -7.939 1.404 662 HB2 PHE 9 HB3 PHE 9 8.153 -5.615 0.784 663 HB3 PHE 9 HB2 PHE 9 8.468 -5.967 2.490 664 HD1 PHE 9 HD2 PHE 9 10.199 -5.595 -0.742 665 HD2 PHE 9 HD1 PHE 9 10.455 -5.390 3.412 666 HE1 PHE 9 HE2 PHE 9 12.405 -4.640 -0.928 667 HE2 PHE 9 HE1 PHE 9 12.667 -4.448 3.234 668 HZ PHE 9 HZ PHE 9 13.639 -4.065 1.061 669 H SER 10 H SER 10 7.017 -8.338 -0.517 670 HA SER 10 HA SER 10 8.971 -8.483 -2.686 671 HB2 SER 10 HB3 SER 10 7.450 -10.462 -2.321 672 HB3 SER 10 HB2 SER 10 6.056 -9.394 -2.601 673 HG SER 10 HG SER 10 6.663 -10.472 -4.467 674 H GLU 11 H GLU 11 7.446 -7.811 -4.863 675 HA GLU 11 HA GLU 11 7.305 -5.041 -4.628 676 HB2 GLU 11 HB3 GLU 11 6.400 -5.115 -6.888 677 HB3 GLU 11 HB2 GLU 11 7.677 -6.346 -6.736 678 HG2 GLU 11 HG3 GLU 11 5.858 -8.027 -6.179 679 HG3 GLU 11 HG2 GLU 11 4.663 -6.784 -6.618 680 H GLU 12 H GLU 12 4.922 -7.524 -3.959 681 HA GLU 12 HA GLU 12 2.621 -5.943 -4.160 682 HB2 GLU 12 HB3 GLU 12 2.612 -8.404 -3.933 683 HB3 GLU 12 HB2 GLU 12 3.386 -8.269 -2.337 684 HG2 GLU 12 HG3 GLU 12 1.432 -6.972 -1.511 685 HG3 GLU 12 HG2 GLU 12 0.642 -7.167 -3.096 686 H GLN 13 H GLN 13 4.973 -6.566 -1.551 687 HA GLN 13 HA GLN 13 3.466 -5.111 0.390 688 HB2 GLN 13 HB3 GLN 13 6.362 -6.059 0.244 689 HB3 GLN 13 HB2 GLN 13 5.490 -5.606 1.727 690 HG2 GLN 13 HG3 GLN 13 4.798 -7.927 -0.134 691 HG3 GLN 13 HG2 GLN 13 5.614 -8.061 1.436 692 HE21 GLN 13 HE21 GLN 13 2.655 -8.595 0.079 693 HE22 GLN 13 HE22 GLN 13 1.725 -8.280 1.438 694 H LYS 14 H LYS 14 6.229 -4.539 -1.797 695 HA LYS 14 HA LYS 14 7.221 -2.238 -0.632 696 HB2 LYS 14 HB3 LYS 14 7.155 -3.338 -3.463 697 HB3 LYS 14 HB2 LYS 14 8.058 -1.866 -3.028 698 HG2 LYS 14 HG3 LYS 14 9.443 -3.048 -1.472 699 HG3 LYS 14 HG2 LYS 14 8.395 -4.477 -1.517 700 HD2 LYS 14 HD3 LYS 14 10.446 -4.875 -2.809 701 HD3 LYS 14 HD2 LYS 14 9.033 -4.884 -3.877 702 HE2 LYS 14 HE3 LYS 14 9.518 -2.530 -4.515 703 HE3 LYS 14 HE2 LYS 14 10.947 -2.559 -3.457 704 HZ1 LYS 14 HZ1 LYS 14 10.474 -4.327 -5.756 705 HZ2 LYS 14 HZ2 LYS 14 11.521 -3.029 -5.717 706 HZ3 LYS 14 HZ3 LYS 14 11.809 -4.361 -4.755 707 H LYS 15 H LYS 15 4.573 -2.632 -3.061 708 HA LYS 15 HA LYS 15 4.238 0.006 -3.696 709 HB2 LYS 15 HB3 LYS 15 2.227 -2.219 -3.215 710 HB3 LYS 15 HB2 LYS 15 1.773 -0.614 -3.832 711 HG2 LYS 15 HG3 LYS 15 3.353 -0.870 -5.704 712 HG3 LYS 15 HG2 LYS 15 3.779 -2.505 -5.143 713 HD2 LYS 15 HD3 LYS 15 0.913 -1.666 -5.752 714 HD3 LYS 15 HD2 LYS 15 1.995 -2.337 -6.994 715 HE2 LYS 15 HE3 LYS 15 0.634 -4.126 -6.022 716 HE3 LYS 15 HE2 LYS 15 2.343 -4.361 -5.591 717 HZ1 LYS 15 HZ1 LYS 15 0.833 -4.643 -3.729 718 HZ2 LYS 15 HZ2 LYS 15 1.904 -3.403 -3.468 719 HZ3 LYS 15 HZ3 LYS 15 0.323 -3.063 -3.884 720 H ALA 16 H ALA 16 3.020 -1.663 -0.705 721 HA ALA 16 HA ALA 16 1.520 0.630 -0.038 722 HB1 ALA 16 HB1 ALA 16 0.975 -1.625 0.822 723 HB2 ALA 16 HB2 ALA 16 2.515 -1.657 1.709 724 HB3 ALA 16 HB3 ALA 16 1.259 -0.479 2.152 725 H LEU 17 H LEU 17 4.934 0.081 0.126 726 HA LEU 17 HA LEU 17 5.076 1.967 2.353 727 HB2 LEU 17 HB3 LEU 17 6.985 0.037 1.021 728 HB3 LEU 17 HB2 LEU 17 7.640 1.450 1.877 729 HG LEU 17 HG LEU 17 6.750 0.724 3.969 730 HD11 LEU 17 HD11 LEU 17 5.182 -1.329 2.348 731 HD12 LEU 17 HD12 LEU 17 5.287 -1.306 4.124 732 HD13 LEU 17 HD13 LEU 17 4.516 0.044 3.266 733 HD21 LEU 17 HD21 LEU 17 8.747 -0.522 3.192 734 HD22 LEU 17 HD22 LEU 17 7.687 -1.577 4.158 735 HD23 LEU 17 HD23 LEU 17 7.696 -1.711 2.386 736 H ASP 18 H ASP 18 5.154 1.709 -1.097 737 HA ASP 18 HA ASP 18 6.927 3.889 -1.500 738 HB2 ASP 18 HB3 ASP 18 6.434 2.145 -3.225 739 HB3 ASP 18 HB2 ASP 18 4.748 2.705 -3.287 740 H LEU 19 H LEU 19 3.594 3.556 -0.563 741 HA LEU 19 HA LEU 19 3.068 6.303 -1.423 742 HB2 LEU 19 HB3 LEU 19 1.392 3.879 -0.711 743 HB3 LEU 19 HB2 LEU 19 0.712 5.510 -0.582 744 HG LEU 19 HG LEU 19 1.033 5.949 -2.919 745 HD11 LEU 19 HD11 LEU 19 1.929 4.215 -4.461 746 HD12 LEU 19 HD12 LEU 19 3.158 4.798 -3.321 747 HD13 LEU 19 HD13 LEU 19 2.379 3.218 -3.057 748 HD21 LEU 19 HD21 LEU 19 -0.425 4.201 -3.885 749 HD22 LEU 19 HD22 LEU 19 -0.066 3.133 -2.508 750 HD23 LEU 19 HD23 LEU 19 -0.973 4.642 -2.250 751 H ALA 20 H ALA 20 4.636 5.199 1.147 752 HA ALA 20 HA ALA 20 2.729 6.267 3.072 753 HB1 ALA 20 HB1 ALA 20 3.654 4.010 3.468 754 HB2 ALA 20 HB2 ALA 20 5.301 4.677 3.444 755 HB3 ALA 20 HB3 ALA 20 4.170 5.147 4.733 756 H PHE 21 H PHE 21 5.109 7.684 1.258 757 HA PHE 21 HA PHE 21 6.701 8.830 3.277 758 HB2 PHE 21 HB3 PHE 21 6.061 9.664 0.413 759 HB3 PHE 21 HB2 PHE 21 7.309 10.411 1.443 760 HD1 PHE 21 HD1 PHE 21 6.165 7.102 0.299 761 HD2 PHE 21 HD2 PHE 21 9.403 9.487 1.424 762 HE1 PHE 21 HE1 PHE 21 7.671 5.272 -0.138 763 HE2 PHE 21 HE2 PHE 21 10.906 7.656 0.971 764 HZ PHE 21 HZ PHE 21 10.029 5.541 0.234 765 H TYR 22 H TYR 22 4.825 9.488 4.770 766 HA TYR 22 HA TYR 22 3.737 11.160 5.756 767 HB2 TYR 22 HB3 TYR 22 5.835 12.398 5.361 768 HB3 TYR 22 HB2 TYR 22 5.263 12.860 3.742 769 HD1 TYR 22 HD2 TYR 22 4.047 12.941 7.238 770 HD2 TYR 22 HD1 TYR 22 4.231 14.856 3.536 771 HE1 TYR 22 HE2 TYR 22 2.836 14.814 8.149 772 HE2 TYR 22 HE1 TYR 22 3.025 16.732 4.447 773 HH TYR 22 HH TYR 22 1.879 16.965 7.813 774 H PHE 23 H PHE 23 2.089 9.827 3.952 775 HA PHE 23 HA PHE 23 0.727 12.158 2.784 776 HB2 PHE 23 HB2 PHE 23 0.771 9.227 1.952 777 HB3 PHE 23 HB3 PHE 23 -0.287 10.462 1.241 778 HD1 PHE 23 HD2 PHE 23 1.170 12.691 0.725 779 HD2 PHE 23 HD1 PHE 23 2.602 8.772 0.674 780 HE1 PHE 23 HE2 PHE 23 2.891 13.339 -0.831 781 HE2 PHE 23 HE1 PHE 23 4.318 9.416 -0.889 782 HZ PHE 23 HZ PHE 23 4.455 11.699 -1.650 783 H ASP 24 H ASP 24 0.354 9.026 4.490 784 HA ASP 24 HA ASP 24 -2.389 9.855 5.068 785 HB2 ASP 24 HB3 ASP 24 -2.615 7.504 5.878 786 HB3 ASP 24 HB2 ASP 24 -2.070 7.548 4.186 787 H ARG 25 H ARG 25 0.763 9.027 6.441 788 HA ARG 25 HA ARG 25 -0.025 10.457 8.853 789 HB2 ARG 25 HB3 ARG 25 -0.476 7.982 9.128 790 HB3 ARG 25 HB2 ARG 25 1.221 7.663 8.734 791 HG2 ARG 25 HG3 ARG 25 1.076 7.636 11.123 792 HG3 ARG 25 HG2 ARG 25 1.817 9.199 10.719 793 HD2 ARG 25 HD3 ARG 25 -0.418 10.287 10.901 794 HD3 ARG 25 HD2 ARG 25 -1.131 8.713 11.333 795 HE ARG 25 HE ARG 25 0.994 9.181 13.039 796 HH11 ARG 25 HH11 ARG 25 -2.122 10.506 12.213 797 HH12 ARG 25 HH12 ARG 25 -2.441 11.105 13.749 798 HH21 ARG 25 HH21 ARG 25 0.551 10.015 15.148 799 HH22 ARG 25 HH22 ARG 25 -0.889 10.822 15.452 800 H ARG 26 H ARG 26 2.826 8.472 8.936 801 HA ARG 26 HA ARG 26 4.486 9.984 7.292 802 HB2 ARG 26 HB3 ARG 26 3.914 11.646 9.221 803 HB3 ARG 26 HB2 ARG 26 4.935 10.604 10.234 804 HG2 ARG 26 HG3 ARG 26 5.972 11.486 7.541 805 HG3 ARG 26 HG2 ARG 26 5.941 12.672 8.863 806 HD2 ARG 26 HD3 ARG 26 7.358 11.318 10.244 807 HD3 ARG 26 HD2 ARG 26 7.237 9.937 9.135 808 HE ARG 26 HE ARG 26 8.753 10.968 7.763 809 HH11 ARG 26 HH11 ARG 26 7.575 13.160 10.201 810 HH12 ARG 26 HH12 ARG 26 8.698 14.365 9.871 811 HH21 ARG 26 HH21 ARG 26 10.318 12.610 7.342 812 HH22 ARG 26 HH22 ARG 26 10.291 14.046 8.209 813 H LEU 27 H LEU 27 6.460 8.662 7.150 814 HA LEU 27 HA LEU 27 6.171 6.185 8.480 815 HB2 LEU 27 HB3 LEU 27 7.248 6.459 6.279 816 HB3 LEU 27 HB2 LEU 27 8.555 7.405 7.021 817 HG LEU 27 HG LEU 27 9.071 4.952 6.582 818 HD11 LEU 27 HD11 LEU 27 10.299 6.377 8.228 819 HD12 LEU 27 HD12 LEU 27 9.190 5.810 9.500 820 HD13 LEU 27 HD13 LEU 27 10.262 4.655 8.673 821 HD21 LEU 27 HD21 LEU 27 6.880 4.022 7.211 822 HD22 LEU 27 HD22 LEU 27 8.171 3.320 8.213 823 HD23 LEU 27 HD23 LEU 27 7.110 4.578 8.888 824 H THR 28 H THR 28 6.201 6.370 10.662 825 HA THR 28 HA THR 28 8.743 7.257 11.822 826 HB THR 28 HB THR 28 7.405 8.004 13.782 827 HG1 THR 28 HG1 THR 28 5.167 7.961 13.609 828 HG21 THR 28 HG21 THR 28 6.257 9.107 11.190 829 HG22 THR 28 HG22 THR 28 6.193 9.888 12.787 830 HG23 THR 28 HG23 THR 28 7.760 9.650 11.975 831 HA PRO 29 HA PRO 29 8.749 3.274 13.665 832 HB2 PRO 29 HB3 PRO 29 8.193 4.440 16.393 833 HB3 PRO 29 HB2 PRO 29 9.447 3.249 15.919 834 HG2 PRO 29 HG3 PRO 29 10.110 5.845 16.312 835 HG3 PRO 29 HG2 PRO 29 10.794 4.951 14.919 836 HD2 PRO 29 HD3 PRO 29 8.487 6.909 14.963 837 HD3 PRO 29 HD2 PRO 29 9.794 6.733 13.743 838 H GLU 30 H GLU 30 6.111 5.389 14.656 839 HA GLU 30 HA GLU 30 4.501 3.243 15.577 840 HB2 GLU 30 HB3 GLU 30 3.833 6.046 14.567 841 HB3 GLU 30 HB2 GLU 30 2.674 4.932 15.329 842 HG2 GLU 30 HG3 GLU 30 3.493 6.480 17.014 843 HG3 GLU 30 HG2 GLU 30 4.142 4.861 17.365 844 H TRP 31 H TRP 31 4.923 4.967 12.430 845 HA TRP 31 HA TRP 31 2.770 3.513 11.298 846 HB2 TRP 31 HB3 TRP 31 3.655 5.720 10.436 847 HB3 TRP 31 HB2 TRP 31 5.102 4.849 9.873 848 HD1 TRP 31 HD1 TRP 31 4.842 4.046 7.414 849 HE1 TRP 31 HE1 TRP 31 2.954 3.406 5.902 850 HE3 TRP 31 HE3 TRP 31 1.126 4.690 10.651 851 HZ2 TRP 31 HZ2 TRP 31 0.215 3.155 6.120 852 HZ3 TRP 31 HZ3 TRP 31 -1.150 4.250 9.931 853 HH2 TRP 31 HH2 TRP 31 -1.593 3.478 7.697 854 H ARG 32 H ARG 32 6.235 2.945 11.767 855 HA ARG 32 HA ARG 32 6.495 0.893 9.874 856 HB2 ARG 32 HB3 ARG 32 7.837 1.338 12.580 857 HB3 ARG 32 HB2 ARG 32 8.339 0.122 11.389 858 HG2 ARG 32 HG3 ARG 32 8.835 1.898 9.751 859 HG3 ARG 32 HG2 ARG 32 8.303 3.129 10.920 860 HD2 ARG 32 HD3 ARG 32 10.030 2.155 12.546 861 HD3 ARG 32 HD2 ARG 32 10.647 1.211 11.173 862 HE ARG 32 HE ARG 32 10.820 3.549 10.120 863 HH11 ARG 32 HH11 ARG 32 11.314 2.628 13.439 864 HH12 ARG 32 HH12 ARG 32 12.435 3.834 13.769 865 HH21 ARG 32 HH21 ARG 32 12.358 5.234 10.589 866 HH22 ARG 32 HH22 ARG 32 13.040 5.341 12.120 867 H ARG 33 H ARG 33 5.589 0.860 13.405 868 HA ARG 33 HA ARG 33 5.355 -1.966 13.172 869 HB2 ARG 33 HB3 ARG 33 4.484 -1.870 15.504 870 HB3 ARG 33 HB2 ARG 33 6.049 -1.058 15.296 871 HG2 ARG 33 HG3 ARG 33 4.896 0.493 16.583 872 HG3 ARG 33 HG2 ARG 33 4.603 1.097 14.938 873 HD2 ARG 33 HD3 ARG 33 2.415 -0.202 14.958 874 HD3 ARG 33 HD2 ARG 33 2.730 -0.582 16.663 875 HE ARG 33 HE ARG 33 2.966 2.164 16.306 876 HH11 ARG 33 HH11 ARG 33 0.620 -0.402 16.151 877 HH12 ARG 33 HH12 ARG 33 -0.683 0.554 16.612 878 HH21 ARG 33 HH21 ARG 33 1.172 3.481 16.939 879 HH22 ARG 33 HH22 ARG 33 -0.363 2.809 17.069 880 H TYR 34 H TYR 34 3.254 0.731 12.512 881 HA TYR 34 HA TYR 34 0.827 -0.611 12.980 882 HB2 TYR 34 HB3 TYR 34 0.965 1.846 12.454 883 HB3 TYR 34 HB2 TYR 34 1.518 1.421 10.812 884 HD1 TYR 34 HD2 TYR 34 -1.219 0.795 13.196 885 HD2 TYR 34 HD1 TYR 34 -0.052 0.910 9.190 886 HE1 TYR 34 HE2 TYR 34 -3.501 0.422 12.521 887 HE2 TYR 34 HE1 TYR 34 -2.334 0.526 8.515 888 HH TYR 34 HH TYR 34 -5.070 0.124 10.775 889 H LEU 35 H LEU 35 2.989 -0.287 10.141 890 HA LEU 35 HA LEU 35 1.369 -1.929 8.510 891 HB2 LEU 35 HB3 LEU 35 4.304 -1.119 8.430 892 HB3 LEU 35 HB2 LEU 35 3.503 -2.058 7.150 893 HG LEU 35 HG LEU 35 2.591 0.691 8.099 894 HD11 LEU 35 HD11 LEU 35 4.191 -0.208 5.665 895 HD12 LEU 35 HD12 LEU 35 3.507 1.420 5.870 896 HD13 LEU 35 HD13 LEU 35 4.768 0.838 6.984 897 HD21 LEU 35 HD21 LEU 35 0.796 -0.745 7.169 898 HD22 LEU 35 HD22 LEU 35 1.186 0.585 6.053 899 HD23 LEU 35 HD23 LEU 35 1.790 -1.056 5.726 900 H SER 36 H SER 36 4.444 -2.589 10.321 901 HA SER 36 HA SER 36 4.979 -5.040 9.460 902 HB2 SER 36 HB3 SER 36 6.029 -5.461 11.583 903 HB3 SER 36 HB2 SER 36 6.170 -3.717 11.270 904 HG SER 36 HG SER 36 4.222 -3.495 12.524 905 H GLN 37 H GLN 37 2.664 -4.400 12.149 906 HA GLN 37 HA GLN 37 2.162 -7.060 12.686 907 HB2 GLN 37 HB3 GLN 37 1.530 -5.108 14.103 908 HB3 GLN 37 HB2 GLN 37 0.309 -4.644 12.897 909 HG2 GLN 37 HG3 GLN 37 -0.757 -5.932 14.694 910 HG3 GLN 37 HG2 GLN 37 -0.769 -6.894 13.197 911 HE21 GLN 37 HE21 GLN 37 -0.205 -9.025 13.595 912 HE22 GLN 37 HE22 GLN 37 0.913 -9.503 14.752 913 H ARG 38 H ARG 38 0.726 -4.936 10.166 914 HA ARG 38 HA ARG 38 -1.017 -7.216 9.584 915 HB2 ARG 38 HB3 ARG 38 -1.340 -4.247 8.943 916 HB3 ARG 38 HB2 ARG 38 -2.536 -5.529 8.630 917 HG2 ARG 38 HG3 ARG 38 -2.571 -6.040 11.087 918 HG3 ARG 38 HG2 ARG 38 -1.439 -4.698 11.354 919 HD2 ARG 38 HD3 ARG 38 -3.644 -3.880 11.847 920 HD3 ARG 38 HD2 ARG 38 -3.150 -3.156 10.301 921 HE ARG 38 HE ARG 38 -4.550 -5.544 9.845 922 HH11 ARG 38 HH11 ARG 38 -4.867 -2.263 10.939 923 HH12 ARG 38 HH12 ARG 38 -6.481 -2.098 10.502 924 HH21 ARG 38 HH21 ARG 38 -6.819 -5.331 9.264 925 HH22 ARG 38 HH22 ARG 38 -7.604 -3.868 9.520 926 H LEU 39 H LEU 39 1.882 -6.044 8.561 927 HA LEU 39 HA LEU 39 1.087 -6.208 5.754 928 HB2 LEU 39 HB3 LEU 39 2.270 -4.137 6.561 929 HB3 LEU 39 HB2 LEU 39 3.668 -5.153 6.980 930 HG LEU 39 HG LEU 39 3.812 -5.879 4.595 931 HD11 LEU 39 HD11 LEU 39 1.592 -3.810 4.231 932 HD12 LEU 39 HD12 LEU 39 2.432 -4.667 2.917 933 HD13 LEU 39 HD13 LEU 39 1.401 -5.570 4.052 934 HD21 LEU 39 HD21 LEU 39 3.722 -2.852 5.001 935 HD22 LEU 39 HD22 LEU 39 5.106 -3.905 5.370 936 HD23 LEU 39 HD23 LEU 39 4.576 -3.694 3.686 937 H GLY 40 H GLY 40 3.528 -7.424 8.147 938 HA2 GLY 40 HA3 GLY 40 3.551 -9.882 8.051 939 HA3 GLY 40 HA2 GLY 40 3.737 -9.691 6.299 940 H LEU 41 H LEU 41 5.582 -7.210 7.461 941 HA LEU 41 HA LEU 41 7.804 -9.029 7.967 942 HB2 LEU 41 HB3 LEU 41 9.259 -7.319 6.786 943 HB3 LEU 41 HB2 LEU 41 8.242 -8.340 5.753 944 HG LEU 41 HG LEU 41 8.326 -5.789 5.256 945 HD11 LEU 41 HD11 LEU 41 6.024 -5.855 4.480 946 HD12 LEU 41 HD12 LEU 41 6.729 -7.477 4.299 947 HD13 LEU 41 HD13 LEU 41 5.620 -7.134 5.649 948 HD21 LEU 41 HD21 LEU 41 6.407 -5.886 7.630 949 HD22 LEU 41 HD22 LEU 41 7.961 -5.020 7.573 950 HD23 LEU 41 HD23 LEU 41 6.616 -4.503 6.534 951 H ASN 42 H ASN 42 9.743 -7.463 8.906 952 HA ASN 42 HA ASN 42 8.369 -6.440 11.221 953 HB2 ASN 42 HB3 ASN 42 10.346 -8.031 11.255 954 HB3 ASN 42 HB2 ASN 42 11.365 -6.692 10.686 955 HD21 ASN 42 HD21 ASN 42 12.547 -6.046 12.495 956 HD22 ASN 42 HD22 ASN 42 11.853 -5.728 13.993 957 H GLU 43 H GLU 43 9.384 -4.385 12.240 958 HA GLU 43 HA GLU 43 8.886 -2.234 10.597 959 HB2 GLU 43 HB3 GLU 43 10.632 -2.461 13.092 960 HB3 GLU 43 HB2 GLU 43 10.020 -0.940 12.403 961 HG2 GLU 43 HG3 GLU 43 7.690 -1.739 12.725 962 HG3 GLU 43 HG2 GLU 43 8.313 -3.242 13.446 963 H GLU 44 H GLU 44 11.907 -4.021 11.198 964 HA GLU 44 HA GLU 44 13.637 -2.070 10.193 965 HB2 GLU 44 HB3 GLU 44 13.722 -5.124 10.203 966 HB3 GLU 44 HB2 GLU 44 15.105 -4.081 9.796 967 HG2 GLU 44 HG3 GLU 44 13.590 -4.090 12.445 968 HG3 GLU 44 HG2 GLU 44 15.215 -4.761 12.162 969 H GLN 45 H GLN 45 11.574 -4.543 8.611 970 HA GLN 45 HA GLN 45 12.890 -4.109 6.120 971 HB2 GLN 45 HB3 GLN 45 10.238 -5.457 6.791 972 HB3 GLN 45 HB2 GLN 45 11.127 -5.595 5.257 973 HG2 GLN 45 HG3 GLN 45 12.113 -6.494 7.996 974 HG3 GLN 45 HG2 GLN 45 11.590 -7.553 6.666 975 HE21 GLN 45 HE21 GLN 45 12.829 -6.756 4.443 976 HE22 GLN 45 HE22 GLN 45 14.489 -6.626 4.664 977 H ILE 46 H ILE 46 10.560 -2.331 7.918 978 HA ILE 46 HA ILE 46 9.140 -1.383 5.618 979 HB ILE 46 HB ILE 46 9.509 -0.175 8.403 980 HG12 ILE 46 HG13 ILE 46 8.343 -2.389 8.435 981 HG13 ILE 46 HG12 ILE 46 7.267 -1.044 8.883 982 HG21 ILE 46 HG21 ILE 46 7.528 0.428 6.165 983 HG22 ILE 46 HG22 ILE 46 7.526 1.176 7.780 984 HG23 ILE 46 HG23 ILE 46 8.883 1.467 6.665 985 HD11 ILE 46 HD11 ILE 46 6.437 -0.959 6.528 986 HD12 ILE 46 HD12 ILE 46 7.453 -2.370 6.144 987 HD13 ILE 46 HD13 ILE 46 6.114 -2.526 7.307 988 H GLU 47 H GLU 47 11.815 -0.361 7.756 989 HA GLU 47 HA GLU 47 12.329 2.059 6.494 990 HB2 GLU 47 HB3 GLU 47 14.150 0.095 7.955 991 HB3 GLU 47 HB2 GLU 47 14.586 1.770 7.538 992 HG2 GLU 47 HG3 GLU 47 12.663 2.606 8.852 993 HG3 GLU 47 HG2 GLU 47 12.223 0.935 9.278 994 H ARG 48 H ARG 48 13.518 -1.269 5.728 995 HA ARG 48 HA ARG 48 15.492 -0.419 3.988 996 HB2 ARG 48 HB3 ARG 48 13.947 -2.948 4.379 997 HB3 ARG 48 HB2 ARG 48 14.767 -2.718 2.815 998 HG2 ARG 48 HG3 ARG 48 16.337 -3.795 4.328 999 HG3 ARG 48 HG2 ARG 48 16.872 -2.121 4.044 1000 HD2 ARG 48 HD3 ARG 48 15.719 -1.449 6.174 1001 HD3 ARG 48 HD2 ARG 48 15.332 -3.165 6.451 1002 HE ARG 48 HE ARG 48 18.070 -2.913 6.022 1003 HH11 ARG 48 HH11 ARG 48 15.526 -2.087 8.234 1004 HH12 ARG 48 HH12 ARG 48 16.491 -2.095 9.610 1005 HH21 ARG 48 HH21 ARG 48 19.427 -2.926 7.918 1006 HH22 ARG 48 HH22 ARG 48 18.766 -2.580 9.424 1007 H TRP 49 H TRP 49 12.115 -1.470 2.960 1008 HA TRP 49 HA TRP 49 12.840 -0.565 0.387 1009 HB2 TRP 49 HB3 TRP 49 11.028 -2.212 0.613 1010 HB3 TRP 49 HB2 TRP 49 10.034 -1.002 1.472 1011 HD1 TRP 49 HD1 TRP 49 8.452 0.216 -0.217 1012 HE1 TRP 49 HE1 TRP 49 8.588 1.009 -2.584 1013 HE3 TRP 49 HE3 TRP 49 13.016 -1.462 -1.223 1014 HZ2 TRP 49 HZ2 TRP 49 10.466 0.939 -4.606 1015 HZ3 TRP 49 HZ3 TRP 49 13.963 -1.048 -3.419 1016 HH2 TRP 49 HH2 TRP 49 12.702 0.134 -5.087 1017 H PHE 50 H PHE 50 11.363 1.036 3.184 1018 HA PHE 50 HA PHE 50 10.227 3.169 1.855 1019 HB2 PHE 50 HB3 PHE 50 10.018 2.630 4.301 1020 HB3 PHE 50 HB2 PHE 50 11.703 3.154 4.517 1021 HD1 PHE 50 HD2 PHE 50 8.433 4.302 3.288 1022 HD2 PHE 50 HD1 PHE 50 12.148 5.397 4.848 1023 HE1 PHE 50 HE2 PHE 50 7.661 6.572 3.530 1024 HE2 PHE 50 HE1 PHE 50 11.382 7.672 5.070 1025 HZ PHE 50 HZ PHE 50 9.138 8.257 4.416 1026 H ARG 51 H ARG 51 13.643 2.808 3.070 1027 HA ARG 51 HA ARG 51 14.163 5.374 1.939 1028 HB2 ARG 51 HB3 ARG 51 16.438 5.082 2.718 1029 HB3 ARG 51 HB2 ARG 51 15.278 4.663 3.991 1030 HG2 ARG 51 HG3 ARG 51 16.666 2.869 4.222 1031 HG3 ARG 51 HG2 ARG 51 15.632 2.201 2.937 1032 HD2 ARG 51 HD3 ARG 51 17.254 2.975 1.238 1033 HD3 ARG 51 HD2 ARG 51 18.256 3.714 2.506 1034 HE ARG 51 HE ARG 51 17.715 0.837 2.435 1035 HH11 ARG 51 HH11 ARG 51 19.797 3.622 2.639 1036 HH12 ARG 51 HH12 ARG 51 21.195 2.744 2.950 1037 HH21 ARG 51 HH21 ARG 51 19.650 -0.370 2.874 1038 HH22 ARG 51 HH22 ARG 51 21.110 0.434 3.086 1039 H ARG 52 H ARG 52 14.676 1.971 0.877 1040 HA ARG 52 HA ARG 52 16.319 2.784 -1.264 1041 HB2 ARG 52 HB3 ARG 52 14.507 0.381 -0.855 1042 HB3 ARG 52 HB2 ARG 52 15.598 0.555 -2.246 1043 HG2 ARG 52 HG3 ARG 52 16.635 0.757 0.601 1044 HG3 ARG 52 HG2 ARG 52 16.410 -0.813 -0.202 1045 HD2 ARG 52 HD3 ARG 52 18.667 -0.220 -0.650 1046 HD3 ARG 52 HD2 ARG 52 17.777 0.111 -2.152 1047 HE ARG 52 HE ARG 52 17.985 2.367 -0.417 1048 HH11 ARG 52 HH11 ARG 52 19.499 0.395 -2.850 1049 HH12 ARG 52 HH12 ARG 52 20.538 1.595 -3.400 1050 HH21 ARG 52 HH21 ARG 52 19.428 4.026 -1.175 1051 HH22 ARG 52 HH22 ARG 52 20.495 3.701 -2.432 1052 H LYS 53 H LYS 53 12.886 3.155 -0.746 1053 HA LYS 53 HA LYS 53 12.170 3.060 -3.475 1054 HB2 LYS 53 HB3 LYS 53 10.594 2.843 -1.601 1055 HB3 LYS 53 HB2 LYS 53 10.996 4.476 -1.050 1056 HG2 LYS 53 HG3 LYS 53 9.805 3.925 -3.801 1057 HG3 LYS 53 HG2 LYS 53 8.820 4.219 -2.349 1058 HD2 LYS 53 HD3 LYS 53 10.312 6.318 -2.013 1059 HD3 LYS 53 HD2 LYS 53 10.744 6.106 -3.719 1060 HE2 LYS 53 HE3 LYS 53 7.867 6.253 -2.712 1061 HE3 LYS 53 HE2 LYS 53 8.783 7.679 -3.237 1062 HZ1 LYS 53 HZ1 LYS 53 9.038 6.696 -5.374 1063 HZ2 LYS 53 HZ2 LYS 53 8.213 5.325 -4.898 1064 HZ3 LYS 53 HZ3 LYS 53 7.426 6.799 -4.977 1065 H GLU 54 H GLU 54 13.563 5.548 -1.316 1066 HA GLU 54 HA GLU 54 13.297 7.369 -3.554 1067 HB2 GLU 54 HB3 GLU 54 13.813 9.145 -1.930 1068 HB3 GLU 54 HB2 GLU 54 12.392 8.186 -1.468 1069 HG2 GLU 54 HG3 GLU 54 13.852 6.843 0.071 1070 HG3 GLU 54 HG2 GLU 54 15.198 7.942 -0.320 1071 H GLN 55 H GLN 55 15.913 6.274 -1.273 1072 HA GLN 55 HA GLN 55 17.749 7.775 -2.797 1073 HB2 GLN 55 HB3 GLN 55 18.143 5.569 -0.737 1074 HB3 GLN 55 HB2 GLN 55 19.448 6.567 -1.417 1075 HG2 GLN 55 HG3 GLN 55 17.045 7.600 0.154 1076 HG3 GLN 55 HG2 GLN 55 18.714 7.471 0.748 1077 HE21 GLN 55 HE21 GLN 55 16.579 9.720 -0.407 1078 HE22 GLN 55 HE22 GLN 55 17.676 10.763 -1.136 1079 H GLN 56 H GLN 56 16.361 4.669 -3.564 1080 HA GLN 56 HA GLN 56 18.768 3.608 -4.626 1081 HB2 GLN 56 HB3 GLN 56 16.750 2.199 -4.227 1082 HB3 GLN 56 HB2 GLN 56 15.881 3.120 -5.482 1083 HG2 GLN 56 HG3 GLN 56 17.660 2.465 -7.127 1084 HG3 GLN 56 HG2 GLN 56 18.419 1.471 -5.862 1085 HE21 GLN 56 HE21 GLN 56 17.801 -0.102 -7.866 1086 HE22 GLN 56 HE22 GLN 56 16.328 -0.881 -7.655 1087 H ILE 57 H ILE 57 16.190 5.759 -5.841 1088 HA ILE 57 HA ILE 57 17.458 5.642 -8.446 1089 HB ILE 57 HB ILE 57 15.227 5.719 -8.964 1090 HG12 ILE 57 HG13 ILE 57 14.217 8.104 -8.708 1091 HG13 ILE 57 HG12 ILE 57 15.794 8.572 -8.043 1092 HG21 ILE 57 HG21 ILE 57 14.745 6.990 -6.234 1093 HG22 ILE 57 HG22 ILE 57 13.521 6.250 -7.290 1094 HG23 ILE 57 HG23 ILE 57 14.773 5.237 -6.539 1095 HD11 ILE 57 HD11 ILE 57 15.308 7.271 -10.764 1096 HD12 ILE 57 HD12 ILE 57 15.670 8.992 -10.492 1097 HD13 ILE 57 HD13 ILE 57 16.894 7.755 -10.117 1098 H GLY 58 H GLY 58 17.341 7.756 -5.603 1099 HA2 GLY 58 HA3 GLY 58 19.209 9.377 -5.746 1100 HA3 GLY 58 HA2 GLY 58 18.610 9.705 -7.387 1101 H TRP 59 H TRP 59 16.137 9.075 -5.086 1102 HA TRP 59 HA TRP 59 14.846 10.386 -3.832 1103 HB2 TRP 59 HB3 TRP 59 16.805 11.898 -3.353 1104 HB3 TRP 59 HB2 TRP 59 16.345 12.830 -4.803 1105 HD1 TRP 59 HD1 TRP 59 14.708 11.694 -1.484 1106 HE1 TRP 59 HE1 TRP 59 13.018 13.418 -0.820 1107 HE3 TRP 59 HE3 TRP 59 15.088 14.605 -5.499 1108 HZ2 TRP 59 HZ2 TRP 59 12.007 15.743 -1.903 1109 HZ3 TRP 59 HZ3 TRP 59 13.718 16.604 -5.634 1110 HH2 TRP 59 HH2 TRP 59 12.200 17.165 -3.857 1111 H SER 60 H SER 60 15.137 10.418 -7.236 1112 HA SER 60 HA SER 60 12.985 12.297 -7.521 1113 HB2 SER 60 HB3 SER 60 14.127 10.239 -9.462 1114 HB3 SER 60 HB2 SER 60 12.886 11.448 -9.863 1115 HG SER 60 HG SER 60 15.478 11.958 -8.846 1116 H HIS 61 H HIS 61 13.438 9.064 -6.607 1117 HA HIS 61 HA HIS 61 12.115 7.327 -6.278 1118 HB2 HIS 61 HB3 HIS 61 10.507 7.873 -4.581 1119 HB3 HIS 61 HB2 HIS 61 11.988 8.813 -4.348 1120 HD1 HIS 61 HD1 HIS 61 11.707 11.422 -4.904 1121 HD2 HIS 61 HD2 HIS 61 8.293 9.183 -5.023 1122 HE1 HIS 61 HE1 HIS 61 9.778 13.012 -4.920 1123 HE2 HIS 61 HE2 HIS 61 7.696 11.622 -4.994 1124 HA PRO 62 HA PRO 62 8.472 7.813 -8.991 1125 HB2 PRO 62 HB3 PRO 62 9.211 6.815 -11.386 1126 HB3 PRO 62 HB2 PRO 62 9.673 8.492 -10.942 1127 HG2 PRO 62 HG3 PRO 62 11.329 5.952 -10.726 1128 HG3 PRO 62 HG2 PRO 62 11.815 7.531 -11.420 1129 HD2 PRO 62 HD3 PRO 62 12.377 6.738 -8.812 1130 HD3 PRO 62 HD2 PRO 62 12.181 8.450 -9.305 1131 H GLN 63 H GLN 63 10.283 5.448 -7.656 1132 HA GLN 63 HA GLN 63 10.235 3.195 -8.895 1133 HB2 GLN 63 HB3 GLN 63 9.139 3.557 -6.088 1134 HB3 GLN 63 HB2 GLN 63 9.917 2.092 -6.730 1135 HG2 GLN 63 HG3 GLN 63 11.300 4.807 -6.696 1136 HG3 GLN 63 HG2 GLN 63 11.376 3.680 -5.323 1137 HE21 GLN 63 HE21 GLN 63 13.269 2.566 -5.341 1138 HE22 GLN 63 HE22 GLN 63 13.991 1.937 -6.718 1139 H PHE 64 H PHE 64 7.202 3.744 -6.886 1140 HA PHE 64 HA PHE 64 6.013 2.023 -8.941 1141 HB2 PHE 64 HB3 PHE 64 5.212 2.489 -6.039 1142 HB3 PHE 64 HB2 PHE 64 4.253 1.586 -7.225 1143 HD1 PHE 64 HD1 PHE 64 7.476 1.567 -5.447 1144 HD2 PHE 64 HD2 PHE 64 4.754 -0.569 -7.780 1145 HE1 PHE 64 HE1 PHE 64 8.657 -0.475 -4.964 1146 HE2 PHE 64 HE2 PHE 64 5.926 -2.612 -7.283 1147 HZ PHE 64 HZ PHE 64 7.878 -2.566 -5.873 1148 H GLU 65 H GLU 65 6.214 5.258 -8.204 1149 HA GLU 65 HA GLU 65 3.372 5.607 -8.732 1150 HB2 GLU 65 HB3 GLU 65 3.772 7.949 -8.066 1151 HB3 GLU 65 HB2 GLU 65 4.344 6.824 -6.812 1152 HG2 GLU 65 HG3 GLU 65 6.651 6.983 -7.906 1153 HG3 GLU 65 HG2 GLU 65 6.006 8.345 -8.855 1154 H LYS 66 H LYS 66 6.205 5.239 -10.441 1155 HA LYS 66 HA LYS 66 6.131 7.251 -12.316 1156 HB2 LYS 66 HB3 LYS 66 7.182 5.552 -13.788 1157 HB3 LYS 66 HB2 LYS 66 7.881 5.485 -12.154 1158 HG2 LYS 66 HG3 LYS 66 6.305 3.630 -11.588 1159 HG3 LYS 66 HG2 LYS 66 5.677 3.678 -13.252 1160 HD2 LYS 66 HD3 LYS 66 7.956 3.177 -14.113 1161 HD3 LYS 66 HD2 LYS 66 8.562 3.106 -12.440 1162 HE2 LYS 66 HE3 LYS 66 6.967 1.264 -11.950 1163 HE3 LYS 66 HE2 LYS 66 6.389 1.324 -13.633 1164 HZ1 LYS 66 HZ1 LYS 66 9.148 0.768 -12.776 1165 HZ2 LYS 66 HZ2 LYS 66 8.046 -0.364 -13.316 1166 HZ3 LYS 66 HZ3 LYS 66 8.604 0.819 -14.353 Start of MODEL 10 1 H1 MET 1 H1 MET 1 -4.775 -19.846 0.736 2 H2 MET 1 H2 MET 1 -3.391 -19.018 0.305 3 H3 MET 1 H3 MET 1 -4.856 -18.225 0.346 4 HA MET 1 HA MET 1 -5.010 -18.516 2.711 5 HB2 MET 1 HB3 MET 1 -3.115 -19.500 3.908 6 HB3 MET 1 HB2 MET 1 -3.739 -20.665 2.717 7 HG2 MET 1 HG3 MET 1 -1.957 -19.946 1.120 8 HG3 MET 1 HG2 MET 1 -1.312 -18.849 2.366 9 HE1 MET 1 HE1 MET 1 0.872 -19.761 2.145 10 HE2 MET 1 HE2 MET 1 1.323 -21.483 2.147 11 HE3 MET 1 HE3 MET 1 0.275 -20.840 0.861 12 H GLU 2 H GLU 2 -3.762 -16.732 0.416 13 HA GLU 2 HA GLU 2 -1.923 -15.274 2.147 14 HB2 GLU 2 HB3 GLU 2 -1.359 -14.024 0.104 15 HB3 GLU 2 HB2 GLU 2 -1.135 -15.770 -0.153 16 HG2 GLU 2 HG3 GLU 2 -3.819 -14.580 -0.793 17 HG3 GLU 2 HG2 GLU 2 -2.473 -14.234 -1.904 18 H LYS 3 H LYS 3 -5.063 -15.365 2.186 19 HA LYS 3 HA LYS 3 -6.724 -13.932 2.542 20 HB2 LYS 3 HB3 LYS 3 -4.342 -12.188 3.178 21 HB3 LYS 3 HB2 LYS 3 -5.959 -11.476 3.027 22 HG2 LYS 3 HG3 LYS 3 -5.701 -11.960 5.315 23 HG3 LYS 3 HG2 LYS 3 -6.780 -13.224 4.690 24 HD2 LYS 3 HD3 LYS 3 -3.788 -13.689 4.783 25 HD3 LYS 3 HD2 LYS 3 -4.758 -13.841 6.265 26 HE2 LYS 3 HE3 LYS 3 -6.267 -15.454 5.091 27 HE3 LYS 3 HE2 LYS 3 -5.194 -15.374 3.672 28 HZ1 LYS 3 HZ1 LYS 3 -4.502 -16.280 6.386 29 HZ2 LYS 3 HZ2 LYS 3 -4.562 -17.199 4.989 30 HZ3 LYS 3 HZ3 LYS 3 -3.389 -16.035 5.166 31 H ARG 4 H ARG 4 -6.074 -14.439 -0.128 32 HA ARG 4 HA ARG 4 -7.302 -12.093 -1.256 33 HB2 ARG 4 HB3 ARG 4 -5.181 -11.366 -1.773 34 HB3 ARG 4 HB2 ARG 4 -4.496 -12.998 -1.823 35 HG2 ARG 4 HG3 ARG 4 -6.528 -12.382 -3.919 36 HG3 ARG 4 HG2 ARG 4 -4.960 -11.546 -4.046 37 HD2 ARG 4 HD3 ARG 4 -3.771 -13.705 -3.829 38 HD3 ARG 4 HD2 ARG 4 -5.323 -14.563 -3.763 39 HE ARG 4 HE ARG 4 -5.312 -13.009 -6.049 40 HH11 ARG 4 HH11 ARG 4 -3.562 -15.663 -4.599 41 HH12 ARG 4 HH12 ARG 4 -3.185 -16.398 -6.061 42 HH21 ARG 4 HH21 ARG 4 -4.774 -14.040 -8.056 43 HH22 ARG 4 HH22 ARG 4 -3.878 -15.461 -8.057 44 HA PRO 5 HA PRO 5 -8.432 -16.337 -2.607 45 HB2 PRO 5 HB3 PRO 5 -11.069 -16.372 -1.870 46 HB3 PRO 5 HB2 PRO 5 -9.723 -16.756 -0.761 47 HG2 PRO 5 HG3 PRO 5 -11.164 -14.107 -1.074 48 HG3 PRO 5 HG2 PRO 5 -10.766 -14.983 0.436 49 HD2 PRO 5 HD3 PRO 5 -9.183 -12.953 -0.526 50 HD3 PRO 5 HD2 PRO 5 -8.492 -14.381 0.311 51 H ARG 6 H ARG 6 -10.994 -13.761 -2.982 52 HA ARG 6 HA ARG 6 -10.856 -14.698 -5.767 53 HB2 ARG 6 HB3 ARG 6 -13.236 -13.538 -4.241 54 HB3 ARG 6 HB2 ARG 6 -13.194 -13.886 -5.981 55 HG2 ARG 6 HG3 ARG 6 -14.157 -15.839 -5.246 56 HG3 ARG 6 HG2 ARG 6 -12.442 -16.307 -5.121 57 HD2 ARG 6 HD3 ARG 6 -12.483 -15.522 -2.728 58 HD3 ARG 6 HD2 ARG 6 -14.214 -15.184 -2.901 59 HE ARG 6 HE ARG 6 -13.759 -17.813 -3.672 60 HH11 ARG 6 HH11 ARG 6 -13.622 -15.721 -0.895 61 HH12 ARG 6 HH12 ARG 6 -13.980 -16.923 0.223 62 HH21 ARG 6 HH21 ARG 6 -14.253 -19.475 -2.127 63 HH22 ARG 6 HH22 ARG 6 -14.346 -19.101 -0.492 64 H THR 7 H THR 7 -9.072 -12.770 -5.524 65 HA THR 7 HA THR 7 -8.543 -10.609 -5.964 66 HB THR 7 HB THR 7 -9.371 -10.024 -8.210 67 HG1 THR 7 HG1 THR 7 -11.520 -10.622 -7.796 68 HG21 THR 7 HG21 THR 7 -8.961 -13.029 -7.853 69 HG22 THR 7 HG22 THR 7 -8.720 -12.115 -9.361 70 HG23 THR 7 HG23 THR 7 -7.660 -11.821 -7.962 71 H GLU 8 H GLU 8 -10.239 -10.170 -3.812 72 HA GLU 8 HA GLU 8 -11.883 -8.022 -4.948 73 HB2 GLU 8 HB3 GLU 8 -13.598 -8.608 -3.232 74 HB3 GLU 8 HB2 GLU 8 -13.328 -9.931 -4.392 75 HG2 GLU 8 HG3 GLU 8 -11.778 -11.018 -2.785 76 HG3 GLU 8 HG2 GLU 8 -12.072 -9.707 -1.619 77 H PHE 9 H PHE 9 -9.639 -7.006 -4.120 78 HA PHE 9 HA PHE 9 -8.425 -6.053 -2.478 79 HB2 PHE 9 HB3 PHE 9 -9.594 -4.138 -1.518 80 HB3 PHE 9 HB2 PHE 9 -9.952 -4.339 -3.243 81 HD1 PHE 9 HD2 PHE 9 -11.310 -4.961 0.113 82 HD2 PHE 9 HD1 PHE 9 -12.129 -4.610 -3.964 83 HE1 PHE 9 HE2 PHE 9 -13.670 -5.002 0.583 84 HE2 PHE 9 HE1 PHE 9 -14.490 -4.631 -3.490 85 HZ PHE 9 HZ PHE 9 -15.262 -4.834 -1.218 86 H SER 10 H SER 10 -8.587 -8.446 -1.431 87 HA SER 10 HA SER 10 -10.136 -8.449 0.970 88 HB2 SER 10 HB3 SER 10 -7.981 -10.316 -0.100 89 HB3 SER 10 HB2 SER 10 -8.973 -10.625 1.348 90 HG SER 10 HG SER 10 -10.806 -10.429 0.040 91 H GLU 11 H GLU 11 -8.745 -9.224 3.016 92 HA GLU 11 HA GLU 11 -7.583 -7.076 4.066 93 HB2 GLU 11 HB3 GLU 11 -8.165 -9.192 5.245 94 HB3 GLU 11 HB2 GLU 11 -6.704 -9.944 4.559 95 HG2 GLU 11 HG3 GLU 11 -6.288 -9.085 6.849 96 HG3 GLU 11 HG2 GLU 11 -5.299 -8.214 5.653 97 H GLU 12 H GLU 12 -5.654 -9.607 2.272 98 HA GLU 12 HA GLU 12 -3.248 -8.377 2.989 99 HB2 GLU 12 HB3 GLU 12 -3.850 -10.720 1.855 100 HB3 GLU 12 HB2 GLU 12 -3.585 -9.807 0.357 101 HG2 GLU 12 HG2 GLU 12 -1.499 -10.860 1.005 102 HG3 GLU 12 HG3 GLU 12 -1.330 -9.110 1.281 103 H GLN 13 H GLN 13 -5.682 -7.549 0.661 104 HA GLN 13 HA GLN 13 -3.787 -5.939 -0.841 105 HB2 GLN 13 HB3 GLN 13 -6.694 -6.756 -1.339 106 HB3 GLN 13 HB2 GLN 13 -5.619 -5.965 -2.517 107 HG2 GLN 13 HG3 GLN 13 -4.134 -7.899 -2.531 108 HG3 GLN 13 HG2 GLN 13 -5.036 -8.659 -1.199 109 HE21 GLN 13 HE21 GLN 13 -4.687 -8.687 -4.550 110 HE22 GLN 13 HE22 GLN 13 -6.180 -9.367 -4.912 111 H LYS 14 H LYS 14 -5.951 -5.555 1.767 112 HA LYS 14 HA LYS 14 -7.088 -3.081 0.850 113 HB2 LYS 14 HB3 LYS 14 -6.884 -4.468 3.558 114 HB3 LYS 14 HB2 LYS 14 -7.672 -2.891 3.323 115 HG2 LYS 14 HG3 LYS 14 -9.256 -3.879 1.729 116 HG3 LYS 14 HG2 LYS 14 -8.447 -5.453 1.870 117 HD2 LYS 14 HD3 LYS 14 -8.988 -5.504 4.300 118 HD3 LYS 14 HD2 LYS 14 -9.841 -3.954 4.129 119 HE2 LYS 14 HE3 LYS 14 -11.391 -4.987 2.492 120 HE3 LYS 14 HE2 LYS 14 -10.527 -6.535 2.649 121 HZ1 LYS 14 HZ1 LYS 14 -11.097 -6.570 4.955 122 HZ2 LYS 14 HZ2 LYS 14 -11.889 -5.105 4.830 123 HZ3 LYS 14 HZ3 LYS 14 -12.478 -6.444 4.025 124 H LYS 15 H LYS 15 -4.485 -4.148 3.020 125 HA LYS 15 HA LYS 15 -3.604 -1.982 4.258 126 HB2 LYS 15 HB3 LYS 15 -2.131 -4.063 2.592 127 HB3 LYS 15 HB2 LYS 15 -1.305 -2.982 3.737 128 HG2 LYS 15 HG3 LYS 15 -2.061 -4.134 5.565 129 HG3 LYS 15 HG2 LYS 15 -3.662 -4.449 4.833 130 HD2 LYS 15 HD3 LYS 15 -2.150 -6.521 5.049 131 HD3 LYS 15 HD2 LYS 15 -2.782 -6.178 3.420 132 HE2 LYS 15 HE3 LYS 15 -0.637 -4.841 3.009 133 HE3 LYS 15 HE2 LYS 15 0.003 -5.601 4.486 134 HZ1 LYS 15 HZ1 LYS 15 -0.466 -7.735 3.492 135 HZ2 LYS 15 HZ2 LYS 15 -1.075 -6.997 2.126 136 HZ3 LYS 15 HZ3 LYS 15 0.546 -6.844 2.507 137 H ALA 16 H ALA 16 -2.725 -2.751 0.818 138 HA ALA 16 HA ALA 16 -1.047 -0.546 0.559 139 HB1 ALA 16 HB1 ALA 16 -1.067 -2.500 -0.955 140 HB2 ALA 16 HB2 ALA 16 -2.694 -2.054 -1.518 141 HB3 ALA 16 HB3 ALA 16 -1.311 -0.989 -1.860 142 H LEU 17 H LEU 17 -4.576 -0.907 -0.063 143 HA LEU 17 HA LEU 17 -4.617 1.764 -1.142 144 HB2 LEU 17 HB3 LEU 17 -6.660 -0.417 -0.619 145 HB3 LEU 17 HB2 LEU 17 -7.164 1.239 -1.024 146 HG LEU 17 HG LEU 17 -5.987 1.159 -3.144 147 HD11 LEU 17 HD11 LEU 17 -4.836 -0.930 -3.861 148 HD12 LEU 17 HD12 LEU 17 -4.031 -0.149 -2.483 149 HD13 LEU 17 HD13 LEU 17 -5.048 -1.588 -2.219 150 HD21 LEU 17 HD21 LEU 17 -8.254 0.176 -3.050 151 HD22 LEU 17 HD22 LEU 17 -7.241 -0.719 -4.206 152 HD23 LEU 17 HD23 LEU 17 -7.562 -1.399 -2.594 153 H ASP 18 H ASP 18 -4.586 0.421 1.993 154 HA ASP 18 HA ASP 18 -6.415 2.380 3.055 155 HB2 ASP 18 HB3 ASP 18 -6.142 0.072 4.061 156 HB3 ASP 18 HB2 ASP 18 -4.484 0.527 4.523 157 H LEU 19 H LEU 19 -2.916 1.594 3.123 158 HA LEU 19 HA LEU 19 -1.997 3.866 4.403 159 HB2 LEU 19 HB3 LEU 19 -0.991 1.981 2.275 160 HB3 LEU 19 HB2 LEU 19 -0.137 3.524 2.473 161 HG LEU 19 HG LEU 19 0.372 3.056 4.776 162 HD11 LEU 19 HD11 LEU 19 -1.245 0.492 4.443 163 HD12 LEU 19 HD12 LEU 19 -0.369 1.004 5.902 164 HD13 LEU 19 HD13 LEU 19 -1.783 1.930 5.345 165 HD21 LEU 19 HD21 LEU 19 0.791 0.598 3.016 166 HD22 LEU 19 HD22 LEU 19 1.820 2.050 3.038 167 HD23 LEU 19 HD23 LEU 19 1.736 0.996 4.468 168 H ALA 20 H ALA 20 -2.658 3.253 0.928 169 HA ALA 20 HA ALA 20 -1.868 5.801 0.106 170 HB1 ALA 20 HB1 ALA 20 -3.152 5.108 -1.966 171 HB2 ALA 20 HB2 ALA 20 -1.955 3.908 -1.421 172 HB3 ALA 20 HB3 ALA 20 -3.684 3.662 -1.086 173 H PHE 21 H PHE 21 -5.189 4.486 -0.060 174 HA PHE 21 HA PHE 21 -7.102 5.607 -0.327 175 HB2 PHE 21 HB3 PHE 21 -6.826 5.051 2.111 176 HB3 PHE 21 HB2 PHE 21 -6.275 6.729 2.358 177 HD1 PHE 21 HD1 PHE 21 -8.983 4.878 0.651 178 HD2 PHE 21 HD2 PHE 21 -7.905 8.280 2.817 179 HE1 PHE 21 HE1 PHE 21 -11.273 5.625 0.615 180 HE2 PHE 21 HE2 PHE 21 -10.197 9.023 2.785 181 HZ PHE 21 HZ PHE 21 -11.882 7.695 1.689 182 H TYR 22 H TYR 22 -5.530 7.141 -1.964 183 HA TYR 22 HA TYR 22 -6.845 9.579 -1.775 184 HB2 TYR 22 HB3 TYR 22 -5.206 9.954 0.120 185 HB3 TYR 22 HB2 TYR 22 -3.894 9.751 -1.062 186 HD1 TYR 22 HD2 TYR 22 -7.073 11.621 -0.745 187 HD2 TYR 22 HD1 TYR 22 -3.098 11.639 -2.013 188 HE1 TYR 22 HE2 TYR 22 -7.311 13.911 -1.458 189 HE2 TYR 22 HE1 TYR 22 -3.333 13.930 -2.726 190 HH TYR 22 HH TYR 22 -6.333 15.839 -2.438 191 H PHE 23 H PHE 23 -6.128 11.025 -3.598 192 HA PHE 23 HA PHE 23 -5.434 9.328 -5.789 193 HB2 PHE 23 HB3 PHE 23 -6.027 12.326 -5.593 194 HB3 PHE 23 HB2 PHE 23 -5.994 11.349 -7.082 195 HD1 PHE 23 HD2 PHE 23 -7.588 11.439 -3.758 196 HD2 PHE 23 HD1 PHE 23 -7.946 10.347 -7.771 197 HE1 PHE 23 HE2 PHE 23 -9.870 10.772 -3.371 198 HE2 PHE 23 HE1 PHE 23 -10.235 9.698 -7.386 199 HZ PHE 23 HZ PHE 23 -11.197 9.908 -5.188 200 H ASP 24 H ASP 24 -3.073 9.246 -4.484 201 HA ASP 24 HA ASP 24 -1.512 11.319 -5.857 202 HB2 ASP 24 HB3 ASP 24 -1.574 11.699 -3.413 203 HB3 ASP 24 HB2 ASP 24 -0.965 10.049 -3.140 204 H ARG 25 H ARG 25 -1.415 9.652 -7.568 205 HA ARG 25 HA ARG 25 -0.140 8.234 -8.749 206 HB2 ARG 25 HB3 ARG 25 1.274 7.527 -6.140 207 HB3 ARG 25 HB2 ARG 25 1.694 6.952 -7.754 208 HG2 ARG 25 HG3 ARG 25 1.627 9.916 -7.091 209 HG3 ARG 25 HG2 ARG 25 3.074 8.907 -6.869 210 HD2 ARG 25 HD3 ARG 25 2.933 8.215 -9.272 211 HD3 ARG 25 HD2 ARG 25 1.555 9.326 -9.466 212 HE ARG 25 HE ARG 25 3.230 11.047 -8.630 213 HH11 ARG 25 HH11 ARG 25 3.964 8.211 -10.515 214 HH12 ARG 25 HH12 ARG 25 5.292 8.886 -11.292 215 HH21 ARG 25 HH21 ARG 25 5.066 11.969 -9.700 216 HH22 ARG 25 HH22 ARG 25 5.930 11.063 -10.820 217 H ARG 26 H ARG 26 -2.704 7.705 -7.400 218 HA ARG 26 HA ARG 26 -2.769 4.975 -7.988 219 HB2 ARG 26 HB3 ARG 26 -3.450 4.125 -5.769 220 HB3 ARG 26 HB2 ARG 26 -1.758 4.671 -5.761 221 HG2 ARG 26 HG3 ARG 26 -3.609 6.841 -5.116 222 HG3 ARG 26 HG2 ARG 26 -3.792 5.468 -3.999 223 HD2 ARG 26 HD3 ARG 26 -1.345 5.476 -3.588 224 HD3 ARG 26 HD2 ARG 26 -1.171 6.875 -4.670 225 HE ARG 26 HE ARG 26 -3.097 7.521 -2.817 226 HH11 ARG 26 HH11 ARG 26 0.320 6.702 -2.893 227 HH12 ARG 26 HH12 ARG 26 0.687 7.585 -1.516 228 HH21 ARG 26 HH21 ARG 26 -2.536 8.633 -0.861 229 HH22 ARG 26 HH22 ARG 26 -0.934 8.706 -0.365 230 H LEU 27 H LEU 27 -4.990 4.242 -8.027 231 HA LEU 27 HA LEU 27 -7.207 4.421 -8.043 232 HB2 LEU 27 HB3 LEU 27 -6.863 5.534 -5.778 233 HB3 LEU 27 HB2 LEU 27 -6.951 7.095 -6.622 234 HG LEU 27 HG LEU 27 -9.125 6.446 -5.663 235 HD11 LEU 27 HD11 LEU 27 -10.475 6.899 -7.595 236 HD12 LEU 27 HD12 LEU 27 -8.936 7.762 -7.830 237 HD13 LEU 27 HD13 LEU 27 -9.244 6.236 -8.690 238 HD21 LEU 27 HD21 LEU 27 -8.942 4.095 -7.593 239 HD22 LEU 27 HD22 LEU 27 -8.862 4.001 -5.816 240 HD23 LEU 27 HD23 LEU 27 -10.363 4.528 -6.611 241 H THR 28 H THR 28 -5.150 6.828 -9.528 242 HA THR 28 HA THR 28 -7.530 7.918 -10.793 243 HB THR 28 HB THR 28 -5.975 9.563 -11.766 244 HG1 THR 28 HG1 THR 28 -3.782 9.376 -11.275 245 HG21 THR 28 HG21 THR 28 -6.698 9.967 -9.441 246 HG22 THR 28 HG22 THR 28 -5.337 8.992 -8.838 247 HG23 THR 28 HG23 THR 28 -5.026 10.529 -9.679 248 HA PRO 29 HA PRO 29 -7.320 5.428 -14.303 249 HB2 PRO 29 HB3 PRO 29 -6.414 7.824 -15.916 250 HB3 PRO 29 HB2 PRO 29 -7.655 6.595 -16.332 251 HG2 PRO 29 HG3 PRO 29 -8.438 8.981 -15.354 252 HG3 PRO 29 HG2 PRO 29 -9.185 7.480 -14.714 253 HD2 PRO 29 HD3 PRO 29 -7.009 9.181 -13.473 254 HD3 PRO 29 HD2 PRO 29 -8.401 8.370 -12.682 255 H GLU 30 H GLU 30 -4.525 7.676 -14.356 256 HA GLU 30 HA GLU 30 -3.044 5.907 -15.929 257 HB2 GLU 30 HB3 GLU 30 -2.565 8.343 -15.625 258 HB3 GLU 30 HB2 GLU 30 -1.985 7.987 -13.979 259 HG2 GLU 30 HG3 GLU 30 -0.273 6.469 -14.883 260 HG3 GLU 30 HG2 GLU 30 -0.927 6.677 -16.524 261 H TRP 31 H TRP 31 -3.432 6.104 -12.343 262 HA TRP 31 HA TRP 31 -1.547 3.858 -12.360 263 HB2 TRP 31 HB3 TRP 31 -2.213 5.896 -10.215 264 HB3 TRP 31 HB2 TRP 31 -1.235 4.437 -9.916 265 HD1 TRP 31 HD1 TRP 31 1.080 4.275 -11.458 266 HE1 TRP 31 HE1 TRP 31 2.606 6.089 -12.261 267 HE3 TRP 31 HE3 TRP 31 -2.048 8.091 -10.898 268 HZ2 TRP 31 HZ2 TRP 31 2.450 8.823 -12.603 269 HZ3 TRP 31 HZ3 TRP 31 -1.303 10.325 -11.488 270 HH2 TRP 31 HH2 TRP 31 0.918 10.682 -12.334 271 H ARG 32 H ARG 32 -4.765 4.074 -12.556 272 HA ARG 32 HA ARG 32 -5.411 2.615 -10.186 273 HB2 ARG 32 HB3 ARG 32 -7.031 4.006 -11.613 274 HB3 ARG 32 HB2 ARG 32 -7.007 2.656 -12.772 275 HG2 ARG 32 HG3 ARG 32 -7.824 1.125 -11.048 276 HG3 ARG 32 HG2 ARG 32 -7.626 2.375 -9.796 277 HD2 ARG 32 HD3 ARG 32 -9.565 2.469 -12.151 278 HD3 ARG 32 HD2 ARG 32 -9.976 2.274 -10.430 279 HE ARG 32 HE ARG 32 -8.895 4.540 -10.188 280 HH11 ARG 32 HH11 ARG 32 -10.407 3.395 -13.116 281 HH12 ARG 32 HH12 ARG 32 -10.798 4.928 -13.681 282 HH21 ARG 32 HH21 ARG 32 -9.403 6.612 -10.967 283 HH22 ARG 32 HH22 ARG 32 -10.227 6.812 -12.421 284 H ARG 33 H ARG 33 -4.673 1.873 -13.622 285 HA ARG 33 HA ARG 33 -4.922 -0.899 -13.181 286 HB2 ARG 33 HB3 ARG 33 -3.803 -1.122 -15.356 287 HB3 ARG 33 HB2 ARG 33 -5.063 0.132 -15.439 288 HG2 ARG 33 HG3 ARG 33 -3.332 1.884 -15.105 289 HG3 ARG 33 HG2 ARG 33 -2.077 0.623 -15.030 290 HD2 ARG 33 HD3 ARG 33 -2.183 1.592 -17.296 291 HD3 ARG 33 HD2 ARG 33 -2.693 -0.113 -17.323 292 HE ARG 33 HE ARG 33 -4.906 1.579 -16.948 293 HH11 ARG 33 HH11 ARG 33 -2.540 0.526 -19.273 294 HH12 ARG 33 HH12 ARG 33 -3.527 0.756 -20.613 295 HH21 ARG 33 HH21 ARG 33 -6.272 1.891 -18.801 296 HH22 ARG 33 HH22 ARG 33 -5.691 1.547 -20.339 297 H TYR 34 H TYR 34 -2.444 1.455 -12.481 298 HA TYR 34 HA TYR 34 -0.259 -0.309 -12.422 299 HB2 TYR 34 HB3 TYR 34 0.057 2.107 -12.390 300 HB3 TYR 34 HB2 TYR 34 -0.920 2.248 -10.915 301 HD1 TYR 34 HD2 TYR 34 2.079 0.368 -12.054 302 HD2 TYR 34 HD1 TYR 34 0.148 2.457 -9.002 303 HE1 TYR 34 HE2 TYR 34 4.012 0.094 -10.635 304 HE2 TYR 34 HE1 TYR 34 2.077 2.181 -7.584 305 HH TYR 34 HH TYR 34 5.059 0.498 -8.529 306 H LEU 35 H LEU 35 -2.701 0.711 -9.957 307 HA LEU 35 HA LEU 35 -1.649 -0.927 -7.944 308 HB2 LEU 35 HB3 LEU 35 -4.266 0.411 -8.558 309 HB3 LEU 35 HB2 LEU 35 -4.290 -0.937 -7.396 310 HG LEU 35 HG LEU 35 -2.584 0.125 -6.034 311 HD11 LEU 35 HD11 LEU 35 -1.709 2.358 -6.576 312 HD12 LEU 35 HD12 LEU 35 -1.353 1.221 -7.898 313 HD13 LEU 35 HD13 LEU 35 -2.682 2.395 -8.063 314 HD21 LEU 35 HD21 LEU 35 -4.943 0.735 -5.623 315 HD22 LEU 35 HD22 LEU 35 -3.870 2.113 -5.285 316 HD23 LEU 35 HD23 LEU 35 -4.810 2.067 -6.797 317 H SER 36 H SER 36 -4.224 -1.574 -10.434 318 HA SER 36 HA SER 36 -4.654 -4.123 -9.338 319 HB2 SER 36 HB3 SER 36 -5.963 -4.546 -11.351 320 HB3 SER 36 HB2 SER 36 -6.310 -2.902 -10.761 321 HG SER 36 HG SER 36 -5.986 -3.063 -12.990 322 H GLN 37 H GLN 37 -1.972 -3.011 -11.195 323 HA GLN 37 HA GLN 37 -1.634 -5.300 -12.790 324 HB2 GLN 37 HB3 GLN 37 -0.449 -3.155 -13.167 325 HB3 GLN 37 HB2 GLN 37 0.398 -3.353 -11.613 326 HG2 GLN 37 HG3 GLN 37 1.407 -5.457 -12.422 327 HG3 GLN 37 HG2 GLN 37 0.551 -5.285 -13.973 328 HE21 GLN 37 HE21 GLN 37 3.507 -4.703 -12.481 329 HE22 GLN 37 HE22 GLN 37 4.039 -3.475 -13.496 330 H ARG 38 H ARG 38 -0.385 -4.392 -9.514 331 HA ARG 38 HA ARG 38 0.447 -7.198 -9.380 332 HB2 ARG 38 HB3 ARG 38 1.584 -4.717 -8.021 333 HB3 ARG 38 HB2 ARG 38 2.127 -6.385 -7.719 334 HG2 ARG 38 HG3 ARG 38 2.712 -6.626 -10.120 335 HG3 ARG 38 HG2 ARG 38 2.194 -4.947 -10.409 336 HD2 ARG 38 HD3 ARG 38 4.409 -5.809 -8.497 337 HD3 ARG 38 HD2 ARG 38 4.658 -5.102 -10.112 338 HE ARG 38 HE ARG 38 3.017 -3.388 -8.716 339 HH11 ARG 38 HH11 ARG 38 6.229 -4.744 -8.484 340 HH12 ARG 38 HH12 ARG 38 6.903 -3.382 -7.768 341 HH21 ARG 38 HH21 ARG 38 3.959 -1.541 -7.691 342 HH22 ARG 38 HH22 ARG 38 5.591 -1.543 -7.290 343 H LEU 39 H LEU 39 -2.009 -5.200 -8.223 344 HA LEU 39 HA LEU 39 -1.731 -6.067 -5.504 345 HB2 LEU 39 HB3 LEU 39 -2.757 -3.884 -6.145 346 HB3 LEU 39 HB2 LEU 39 -4.104 -4.773 -6.899 347 HG LEU 39 HG LEU 39 -4.601 -5.839 -4.703 348 HD11 LEU 39 HD11 LEU 39 -2.306 -4.065 -3.749 349 HD12 LEU 39 HD12 LEU 39 -3.391 -4.992 -2.687 350 HD13 LEU 39 HD13 LEU 39 -2.300 -5.844 -3.806 351 HD21 LEU 39 HD21 LEU 39 -5.358 -3.773 -3.534 352 HD22 LEU 39 HD22 LEU 39 -4.278 -2.805 -4.569 353 HD23 LEU 39 HD23 LEU 39 -5.662 -3.661 -5.284 354 H GLY 40 H GLY 40 -3.931 -6.883 -8.274 355 HA2 GLY 40 HA3 GLY 40 -4.084 -9.328 -8.470 356 HA3 GLY 40 HA2 GLY 40 -4.449 -9.326 -6.735 357 H LEU 41 H LEU 41 -6.052 -6.616 -7.736 358 HA LEU 41 HA LEU 41 -8.264 -8.239 -8.734 359 HB2 LEU 41 HB3 LEU 41 -9.792 -6.615 -7.538 360 HB3 LEU 41 HB2 LEU 41 -8.927 -7.771 -6.506 361 HG LEU 41 HG LEU 41 -9.010 -5.251 -5.792 362 HD11 LEU 41 HD11 LEU 41 -6.865 -5.535 -4.693 363 HD12 LEU 41 HD12 LEU 41 -7.665 -7.119 -4.781 364 HD13 LEU 41 HD13 LEU 41 -6.347 -6.726 -5.911 365 HD21 LEU 41 HD21 LEU 41 -6.757 -5.292 -7.857 366 HD22 LEU 41 HD22 LEU 41 -8.244 -4.320 -7.946 367 HD23 LEU 41 HD23 LEU 41 -7.043 -3.993 -6.679 368 H ASN 42 H ASN 42 -9.996 -6.531 -9.731 369 HA ASN 42 HA ASN 42 -8.377 -5.298 -11.736 370 HB2 ASN 42 HB3 ASN 42 -11.403 -5.435 -11.374 371 HB3 ASN 42 HB2 ASN 42 -10.556 -4.834 -12.819 372 HD21 ASN 42 HD21 ASN 42 -10.257 -6.350 -14.418 373 HD22 ASN 42 HD22 ASN 42 -10.208 -8.007 -14.147 374 H GLU 43 H GLU 43 -9.141 -3.118 -12.590 375 HA GLU 43 HA GLU 43 -8.498 -1.136 -10.821 376 HB2 GLU 43 HB3 GLU 43 -10.196 -1.097 -13.355 377 HB3 GLU 43 HB2 GLU 43 -9.662 0.358 -12.494 378 HG2 GLU 43 HG3 GLU 43 -8.040 0.101 -14.161 379 HG3 GLU 43 HG2 GLU 43 -7.263 -0.603 -12.726 380 H GLU 44 H GLU 44 -11.816 -2.248 -11.775 381 HA GLU 44 HA GLU 44 -13.039 -0.206 -10.329 382 HB2 GLU 44 HB3 GLU 44 -15.058 -1.609 -10.529 383 HB3 GLU 44 HB2 GLU 44 -14.162 -1.575 -12.066 384 HG2 GLU 44 HG3 GLU 44 -13.085 -3.742 -11.460 385 HG3 GLU 44 HG2 GLU 44 -14.042 -3.781 -9.959 386 H GLN 45 H GLN 45 -11.448 -3.125 -9.132 387 HA GLN 45 HA GLN 45 -13.100 -3.091 -6.784 388 HB2 GLN 45 HB3 GLN 45 -10.510 -4.555 -7.450 389 HB3 GLN 45 HB2 GLN 45 -11.497 -4.833 -5.996 390 HG2 GLN 45 HG3 GLN 45 -12.465 -5.170 -8.869 391 HG3 GLN 45 HG2 GLN 45 -11.980 -6.501 -7.792 392 HE21 GLN 45 HE21 GLN 45 -13.169 -6.231 -5.467 393 HE22 GLN 45 HE22 GLN 45 -14.821 -5.961 -5.614 394 H ILE 46 H ILE 46 -10.522 -1.221 -7.970 395 HA ILE 46 HA ILE 46 -9.250 -0.782 -5.436 396 HB ILE 46 HB ILE 46 -9.311 0.906 -7.991 397 HG12 ILE 46 HG13 ILE 46 -8.436 -1.402 -8.419 398 HG13 ILE 46 HG12 ILE 46 -7.179 -0.154 -8.585 399 HG21 ILE 46 HG21 ILE 46 -7.281 0.781 -5.721 400 HG22 ILE 46 HG22 ILE 46 -7.282 1.918 -7.089 401 HG23 ILE 46 HG23 ILE 46 -8.562 2.005 -5.852 402 HD11 ILE 46 HD11 ILE 46 -6.415 -0.622 -6.272 403 HD12 ILE 46 HD12 ILE 46 -7.656 -1.889 -6.123 404 HD13 ILE 46 HD13 ILE 46 -6.327 -2.075 -7.294 405 H GLU 47 H GLU 47 -11.552 0.843 -7.649 406 HA GLU 47 HA GLU 47 -12.034 3.012 -5.961 407 HB2 GLU 47 HB3 GLU 47 -13.738 1.684 -8.114 408 HB3 GLU 47 HB2 GLU 47 -14.111 3.251 -7.359 409 HG2 GLU 47 HG3 GLU 47 -11.950 4.159 -8.138 410 HG3 GLU 47 HG2 GLU 47 -11.553 2.592 -8.885 411 H ARG 48 H ARG 48 -13.253 -0.330 -5.825 412 HA ARG 48 HA ARG 48 -15.517 0.510 -4.297 413 HB2 ARG 48 HB3 ARG 48 -14.364 -2.082 -5.190 414 HB3 ARG 48 HB2 ARG 48 -15.200 -2.099 -3.619 415 HG2 ARG 48 HG3 ARG 48 -16.827 -2.562 -5.373 416 HG3 ARG 48 HG2 ARG 48 -17.162 -0.968 -4.661 417 HD2 ARG 48 HD3 ARG 48 -15.980 0.120 -6.554 418 HD3 ARG 48 HD2 ARG 48 -15.644 -1.487 -7.245 419 HE ARG 48 HE ARG 48 -18.376 -1.264 -6.822 420 HH11 ARG 48 HH11 ARG 48 -15.776 0.052 -8.718 421 HH12 ARG 48 HH12 ARG 48 -16.721 0.401 -10.063 422 HH21 ARG 48 HH21 ARG 48 -19.687 -0.792 -8.683 423 HH22 ARG 48 HH22 ARG 48 -18.992 -0.093 -10.044 424 H TRP 49 H TRP 49 -12.201 -0.760 -3.447 425 HA TRP 49 HA TRP 49 -12.925 -0.891 -0.742 426 HB2 TRP 49 HB3 TRP 49 -10.878 -1.959 -1.618 427 HB3 TRP 49 HB2 TRP 49 -10.170 -0.350 -1.916 428 HD1 TRP 49 HD1 TRP 49 -8.630 0.278 0.101 429 HE1 TRP 49 HE1 TRP 49 -8.674 -0.027 2.584 430 HE3 TRP 49 HE3 TRP 49 -12.901 -2.233 0.392 431 HZ2 TRP 49 HZ2 TRP 49 -10.381 -1.184 4.421 432 HZ3 TRP 49 HZ3 TRP 49 -13.733 -2.896 2.573 433 HH2 TRP 49 HH2 TRP 49 -12.485 -2.379 4.561 434 H PHE 50 H PHE 50 -11.698 1.799 -2.768 435 HA PHE 50 HA PHE 50 -11.346 3.617 -0.668 436 HB2 PHE 50 HB3 PHE 50 -12.002 3.774 -3.622 437 HB3 PHE 50 HB2 PHE 50 -12.051 5.237 -2.615 438 HD1 PHE 50 HD2 PHE 50 -9.772 2.323 -2.971 439 HD2 PHE 50 HD1 PHE 50 -10.187 6.459 -2.611 440 HE1 PHE 50 HE2 PHE 50 -7.385 2.581 -3.138 441 HE2 PHE 50 HE1 PHE 50 -7.800 6.715 -2.783 442 HZ PHE 50 HZ PHE 50 -6.394 4.774 -3.049 443 H ARG 51 H ARG 51 -14.234 2.778 -2.663 444 HA ARG 51 HA ARG 51 -15.829 4.771 -1.546 445 HB2 ARG 51 HB3 ARG 51 -16.341 3.513 -3.639 446 HB3 ARG 51 HB2 ARG 51 -16.627 2.050 -2.665 447 HG2 ARG 51 HG3 ARG 51 -18.764 3.198 -3.143 448 HG3 ARG 51 HG2 ARG 51 -18.402 3.269 -1.400 449 HD2 ARG 51 HD3 ARG 51 -17.472 5.540 -1.672 450 HD3 ARG 51 HD2 ARG 51 -17.780 5.472 -3.423 451 HE ARG 51 HE ARG 51 -20.172 4.961 -2.158 452 HH11 ARG 51 HH11 ARG 51 -17.766 7.467 -2.381 453 HH12 ARG 51 HH12 ARG 51 -18.845 8.736 -2.166 454 HH21 ARG 51 HH21 ARG 51 -21.661 6.718 -1.857 455 HH22 ARG 51 HH22 ARG 51 -21.102 8.302 -1.863 456 H ARG 52 H ARG 52 -15.074 1.430 -0.412 457 HA ARG 52 HA ARG 52 -17.223 1.534 1.465 458 HB2 ARG 52 HB3 ARG 52 -14.670 -0.138 1.389 459 HB3 ARG 52 HB2 ARG 52 -16.039 -0.414 2.481 460 HG2 ARG 52 HG3 ARG 52 -16.192 -0.554 -0.561 461 HG3 ARG 52 HG2 ARG 52 -16.024 -1.944 0.527 462 HD2 ARG 52 HD3 ARG 52 -18.313 -1.920 0.181 463 HD3 ARG 52 HD2 ARG 52 -18.190 -0.953 1.669 464 HE ARG 52 HE ARG 52 -17.990 0.703 -0.587 465 HH11 ARG 52 HH11 ARG 52 -20.201 -1.307 1.197 466 HH12 ARG 52 HH12 ARG 52 -21.578 -0.452 0.754 467 HH21 ARG 52 HH21 ARG 52 -19.900 1.874 -1.211 468 HH22 ARG 52 HH22 ARG 52 -21.404 1.389 -0.640 469 H LYS 53 H LYS 53 -13.762 2.431 1.429 470 HA LYS 53 HA LYS 53 -13.441 2.644 4.188 471 HB2 LYS 53 HB3 LYS 53 -12.252 4.047 1.772 472 HB3 LYS 53 HB2 LYS 53 -11.720 4.427 3.425 473 HG2 LYS 53 HG3 LYS 53 -11.801 1.555 2.494 474 HG3 LYS 53 HG2 LYS 53 -10.425 2.596 2.051 475 HD2 LYS 53 HD3 LYS 53 -11.422 2.299 4.914 476 HD3 LYS 53 HD2 LYS 53 -10.114 1.304 4.223 477 HE2 LYS 53 HE3 LYS 53 -8.816 3.321 3.686 478 HE3 LYS 53 HE2 LYS 53 -10.134 4.351 4.291 479 HZ1 LYS 53 HZ1 LYS 53 -9.858 3.299 6.436 480 HZ2 LYS 53 HZ2 LYS 53 -8.555 2.431 5.868 481 HZ3 LYS 53 HZ3 LYS 53 -8.478 4.094 5.942 482 H GLU 54 H GLU 54 -14.939 4.883 1.807 483 HA GLU 54 HA GLU 54 -15.015 6.789 3.981 484 HB2 GLU 54 HB3 GLU 54 -15.673 8.412 2.252 485 HB3 GLU 54 HB2 GLU 54 -14.153 7.580 1.867 486 HG2 GLU 54 HG3 GLU 54 -15.464 6.000 0.399 487 HG3 GLU 54 HG2 GLU 54 -16.898 7.019 0.669 488 H GLN 55 H GLN 55 -17.536 5.412 1.681 489 HA GLN 55 HA GLN 55 -19.386 6.894 3.224 490 HB2 GLN 55 HB3 GLN 55 -21.069 6.036 1.769 491 HB3 GLN 55 HB2 GLN 55 -19.626 6.348 0.782 492 HG2 GLN 55 HG3 GLN 55 -20.280 4.236 0.036 493 HG3 GLN 55 HG2 GLN 55 -19.084 3.803 1.283 494 HE21 GLN 55 HE21 GLN 55 -19.920 2.037 2.431 495 HE22 GLN 55 HE22 GLN 55 -21.518 1.930 2.940 496 H GLN 56 H GLN 56 -17.864 3.980 4.085 497 HA GLN 56 HA GLN 56 -20.144 2.604 4.982 498 HB2 GLN 56 HB3 GLN 56 -17.907 1.563 4.756 499 HB3 GLN 56 HB2 GLN 56 -17.302 2.590 6.081 500 HG2 GLN 56 HG3 GLN 56 -17.968 0.334 6.896 501 HG3 GLN 56 HG2 GLN 56 -18.992 1.605 7.606 502 HE21 GLN 56 HE21 GLN 56 -18.987 -0.279 4.500 503 HE22 GLN 56 HE22 GLN 56 -20.619 -0.663 4.607 504 H ILE 57 H ILE 57 -18.007 5.056 6.610 505 HA ILE 57 HA ILE 57 -19.938 4.798 8.770 506 HB ILE 57 HB ILE 57 -18.330 5.584 10.266 507 HG12 ILE 57 HG13 ILE 57 -16.205 6.754 9.305 508 HG13 ILE 57 HG12 ILE 57 -17.186 6.991 7.840 509 HG21 ILE 57 HG21 ILE 57 -16.204 4.435 9.715 510 HG22 ILE 57 HG22 ILE 57 -17.606 3.429 9.279 511 HG23 ILE 57 HG23 ILE 57 -16.713 4.308 8.014 512 HD11 ILE 57 HD11 ILE 57 -18.969 8.031 9.324 513 HD12 ILE 57 HD12 ILE 57 -17.838 7.896 10.686 514 HD13 ILE 57 HD13 ILE 57 -17.451 8.944 9.301 515 H GLY 58 H GLY 58 -19.131 6.926 6.123 516 HA2 GLY 58 HA3 GLY 58 -20.931 8.673 6.018 517 HA3 GLY 58 HA2 GLY 58 -20.450 9.018 7.693 518 H TRP 59 H TRP 59 -17.912 8.115 5.527 519 HA TRP 59 HA TRP 59 -16.517 9.240 4.225 520 HB2 TRP 59 HB3 TRP 59 -18.290 10.868 3.627 521 HB3 TRP 59 HB2 TRP 59 -17.882 11.806 5.087 522 HD1 TRP 59 HD1 TRP 59 -16.129 10.647 1.839 523 HE1 TRP 59 HE1 TRP 59 -14.317 12.296 1.320 524 HE3 TRP 59 HE3 TRP 59 -16.564 13.446 5.924 525 HZ2 TRP 59 HZ2 TRP 59 -13.233 14.524 2.539 526 HZ3 TRP 59 HZ3 TRP 59 -15.093 15.356 6.205 527 HH2 TRP 59 HH2 TRP 59 -13.451 15.887 4.532 528 H SER 60 H SER 60 -16.643 9.623 7.673 529 HA SER 60 HA SER 60 -14.380 11.377 7.532 530 HB2 SER 60 HB3 SER 60 -14.198 11.179 9.921 531 HB3 SER 60 HB2 SER 60 -15.911 11.417 9.509 532 HG SER 60 HG SER 60 -15.573 9.800 11.042 533 H HIS 61 H HIS 61 -14.839 8.123 6.896 534 HA HIS 61 HA HIS 61 -13.528 6.327 6.900 535 HB2 HIS 61 HB3 HIS 61 -11.584 6.672 5.464 536 HB3 HIS 61 HB2 HIS 61 -13.033 7.483 4.841 537 HD1 HIS 61 HD1 HIS 61 -13.004 10.166 5.190 538 HD2 HIS 61 HD2 HIS 61 -9.508 8.174 5.950 539 HE1 HIS 61 HE1 HIS 61 -11.164 11.862 5.204 540 HE2 HIS 61 HE2 HIS 61 -9.039 10.627 5.679 541 HA PRO 62 HA PRO 62 -10.480 7.176 10.201 542 HB2 PRO 62 HB3 PRO 62 -11.708 6.293 12.446 543 HB3 PRO 62 HB2 PRO 62 -12.135 7.903 11.772 544 HG2 PRO 62 HG3 PRO 62 -13.574 5.256 11.368 545 HG3 PRO 62 HG2 PRO 62 -14.282 6.834 11.842 546 HD2 PRO 62 HD3 PRO 62 -14.217 5.911 9.224 547 HD3 PRO 62 HD2 PRO 62 -14.157 7.650 9.653 548 H GLN 63 H GLN 63 -11.968 4.623 8.707 549 HA GLN 63 HA GLN 63 -11.232 2.566 10.512 550 HB2 GLN 63 HB3 GLN 63 -11.937 2.588 7.548 551 HB3 GLN 63 HB2 GLN 63 -11.742 1.120 8.535 552 HG2 GLN 63 HG3 GLN 63 -13.553 1.896 10.045 553 HG3 GLN 63 HG2 GLN 63 -13.758 3.353 9.043 554 HE21 GLN 63 HE21 GLN 63 -12.877 0.985 6.888 555 HE22 GLN 63 HE22 GLN 63 -14.411 0.445 6.465 556 H PHE 64 H PHE 64 -8.802 3.620 10.579 557 HA PHE 64 HA PHE 64 -7.279 2.647 8.313 558 HB2 PHE 64 HB3 PHE 64 -6.481 3.857 11.010 559 HB3 PHE 64 HB2 PHE 64 -5.334 3.311 9.766 560 HD1 PHE 64 HD1 PHE 64 -8.188 5.594 10.246 561 HD2 PHE 64 HD2 PHE 64 -4.724 4.725 8.089 562 HE1 PHE 64 HE1 PHE 64 -8.371 7.708 9.105 563 HE2 PHE 64 HE2 PHE 64 -4.903 6.840 6.949 564 HZ PHE 64 HZ PHE 64 -6.730 8.330 7.452 565 H GLU 65 H GLU 65 -7.714 1.955 11.817 566 HA GLU 65 HA GLU 65 -6.730 -0.729 11.179 567 HB2 GLU 65 HB3 GLU 65 -6.030 -0.831 13.554 568 HB3 GLU 65 HB2 GLU 65 -5.254 0.538 12.721 569 HG2 GLU 65 HG3 GLU 65 -7.026 2.054 13.610 570 HG3 GLU 65 HG2 GLU 65 -7.736 0.677 14.486 571 H LYS 66 H LYS 66 -9.525 0.992 11.660 572 HA LYS 66 HA LYS 66 -10.662 -1.205 13.229 573 HB2 LYS 66 HB3 LYS 66 -11.611 1.660 12.766 574 HB3 LYS 66 HB2 LYS 66 -12.503 0.431 13.693 575 HG2 LYS 66 HG3 LYS 66 -10.648 0.237 15.286 576 HG3 LYS 66 HG2 LYS 66 -9.680 1.391 14.338 577 HD2 LYS 66 HD3 LYS 66 -12.394 2.058 15.552 578 HD3 LYS 66 HD2 LYS 66 -10.838 2.412 16.339 579 HE2 LYS 66 HE3 LYS 66 -10.146 3.748 14.358 580 HE3 LYS 66 HE2 LYS 66 -11.731 3.438 13.609 581 HZ1 LYS 66 HZ1 LYS 66 -11.272 4.784 16.186 582 HZ2 LYS 66 HZ2 LYS 66 -11.674 5.533 14.750 583 HZ3 LYS 66 HZ3 LYS 66 -12.759 4.498 15.483 584 H1 MET 1 H1 MET 1 4.831 -19.837 -1.049 585 H2 MET 1 H2 MET 1 3.432 -19.038 -0.612 586 H3 MET 1 H3 MET 1 4.885 -18.223 -0.625 587 HA MET 1 HA MET 1 5.061 -18.463 -2.994 588 HB2 MET 1 HB3 MET 1 3.185 -19.447 -4.224 589 HB3 MET 1 HB2 MET 1 3.813 -20.628 -3.050 590 HG2 MET 1 HG3 MET 1 2.016 -19.949 -1.450 591 HG3 MET 1 HG2 MET 1 1.368 -18.838 -2.682 592 HE1 MET 1 HE1 MET 1 -0.811 -19.770 -2.484 593 HE2 MET 1 HE2 MET 1 -1.247 -21.496 -2.513 594 HE3 MET 1 HE3 MET 1 -0.208 -20.862 -1.215 595 H GLU 2 H GLU 2 3.785 -16.744 -0.672 596 HA GLU 2 HA GLU 2 1.952 -15.269 -2.393 597 HB2 GLU 2 HB3 GLU 2 1.360 -14.055 -0.339 598 HB3 GLU 2 HB2 GLU 2 1.157 -15.806 -0.096 599 HG2 GLU 2 HG3 GLU 2 3.823 -14.585 0.552 600 HG3 GLU 2 HG2 GLU 2 2.475 -14.266 1.669 601 H LYS 3 H LYS 3 5.086 -15.364 -2.415 602 HA LYS 3 HA LYS 3 6.762 -13.939 -2.723 603 HB2 LYS 3 HB3 LYS 3 4.394 -12.170 -3.329 604 HB3 LYS 3 HB2 LYS 3 6.005 -11.454 -3.125 605 HG2 LYS 3 HG3 LYS 3 5.782 -11.858 -5.434 606 HG3 LYS 3 HG2 LYS 3 6.857 -13.142 -4.844 607 HD2 LYS 3 HD3 LYS 3 3.864 -13.599 -4.983 608 HD3 LYS 3 HD2 LYS 3 4.849 -13.710 -6.457 609 HE2 LYS 3 HE3 LYS 3 6.334 -15.366 -5.328 610 HE3 LYS 3 HE2 LYS 3 5.259 -15.324 -3.911 611 HZ1 LYS 3 HZ1 LYS 3 4.558 -16.133 -6.650 612 HZ2 LYS 3 HZ2 LYS 3 4.628 -17.105 -5.294 613 HZ3 LYS 3 HZ3 LYS 3 3.452 -15.932 -5.416 614 H ARG 4 H ARG 4 6.135 -14.525 -0.061 615 HA ARG 4 HA ARG 4 7.354 -12.188 1.097 616 HB2 ARG 4 HB3 ARG 4 5.236 -11.475 1.629 617 HB3 ARG 4 HB2 ARG 4 4.558 -13.110 1.671 618 HG2 ARG 4 HG3 ARG 4 6.597 -12.520 3.762 619 HG3 ARG 4 HG2 ARG 4 5.039 -11.664 3.901 620 HD2 ARG 4 HD3 ARG 4 3.826 -13.811 3.657 621 HD3 ARG 4 HD2 ARG 4 5.371 -14.683 3.591 622 HE ARG 4 HE ARG 4 5.365 -13.156 5.894 623 HH11 ARG 4 HH11 ARG 4 3.587 -15.765 4.398 624 HH12 ARG 4 HH12 ARG 4 3.187 -16.513 5.848 625 HH21 ARG 4 HH21 ARG 4 4.793 -14.203 7.885 626 HH22 ARG 4 HH22 ARG 4 3.876 -15.611 7.862 627 HA PRO 5 HA PRO 5 8.552 -16.417 2.382 628 HB2 PRO 5 HB3 PRO 5 11.176 -16.405 1.609 629 HB3 PRO 5 HB2 PRO 5 9.824 -16.789 0.508 630 HG2 PRO 5 HG3 PRO 5 11.234 -14.127 0.842 631 HG3 PRO 5 HG2 PRO 5 10.826 -14.990 -0.674 632 HD2 PRO 5 HD3 PRO 5 9.236 -12.988 0.349 633 HD3 PRO 5 HD2 PRO 5 8.548 -14.404 -0.512 634 H ARG 6 H ARG 6 11.074 -13.802 2.736 635 HA ARG 6 HA ARG 6 10.980 -14.742 5.520 636 HB2 ARG 6 HB3 ARG 6 13.326 -13.539 3.974 637 HB3 ARG 6 HB2 ARG 6 13.308 -13.906 5.710 638 HG2 ARG 6 HG3 ARG 6 14.283 -15.843 4.945 639 HG3 ARG 6 HG2 ARG 6 12.570 -16.325 4.831 640 HD2 ARG 6 HD3 ARG 6 12.580 -15.511 2.446 641 HD3 ARG 6 HD2 ARG 6 14.311 -15.167 2.605 642 HE ARG 6 HE ARG 6 13.880 -17.805 3.353 643 HH11 ARG 6 HH11 ARG 6 13.695 -15.687 0.598 644 HH12 ARG 6 HH12 ARG 6 14.042 -16.878 -0.536 645 HH21 ARG 6 HH21 ARG 6 14.358 -19.451 1.783 646 HH22 ARG 6 HH22 ARG 6 14.426 -19.059 0.151 647 H THR 7 H THR 7 9.161 -12.849 5.293 648 HA THR 7 HA THR 7 8.598 -10.693 5.718 649 HB THR 7 HB THR 7 9.455 -10.066 7.945 650 HG1 THR 7 HG1 THR 7 11.607 -10.637 7.508 651 HG21 THR 7 HG21 THR 7 9.083 -13.080 7.628 652 HG22 THR 7 HG22 THR 7 8.858 -12.155 9.131 653 HG23 THR 7 HG23 THR 7 7.766 -11.891 7.751 654 H GLU 8 H GLU 8 10.255 -10.237 3.532 655 HA GLU 8 HA GLU 8 11.895 -8.071 4.641 656 HB2 GLU 8 HB3 GLU 8 13.583 -8.646 2.889 657 HB3 GLU 8 HB2 GLU 8 13.344 -9.964 4.062 658 HG2 GLU 8 HG3 GLU 8 11.775 -11.073 2.491 659 HG3 GLU 8 HG2 GLU 8 12.034 -9.765 1.311 660 H PHE 9 H PHE 9 9.629 -7.076 3.839 661 HA PHE 9 HA PHE 9 8.414 -6.091 2.220 662 HB2 PHE 9 HB3 PHE 9 9.575 -4.132 1.337 663 HB3 PHE 9 HB2 PHE 9 9.924 -4.397 3.056 664 HD1 PHE 9 HD2 PHE 9 11.306 -4.902 -0.311 665 HD2 PHE 9 HD1 PHE 9 12.090 -4.678 3.783 666 HE1 PHE 9 HE2 PHE 9 13.670 -4.930 -0.761 667 HE2 PHE 9 HE1 PHE 9 14.456 -4.682 3.329 668 HZ PHE 9 HZ PHE 9 15.247 -4.814 1.058 669 H SER 10 H SER 10 8.592 -8.434 1.071 670 HA SER 10 HA SER 10 10.111 -8.306 -1.356 671 HB2 SER 10 HB3 SER 10 8.006 -10.242 -0.312 672 HB3 SER 10 HB2 SER 10 8.953 -10.483 -1.803 673 HG SER 10 HG SER 10 10.826 -10.346 -0.537 674 H GLU 11 H GLU 11 8.667 -8.965 -3.422 675 HA GLU 11 HA GLU 11 7.475 -6.776 -4.313 676 HB2 GLU 11 HB3 GLU 11 7.961 -8.785 -5.673 677 HB3 GLU 11 HB2 GLU 11 6.591 -9.627 -4.911 678 HG2 GLU 11 HG3 GLU 11 5.874 -8.694 -7.065 679 HG3 GLU 11 HG2 GLU 11 5.063 -7.823 -5.741 680 H GLU 12 H GLU 12 5.511 -9.498 -3.000 681 HA GLU 12 HA GLU 12 3.056 -8.441 -3.094 682 HB2 GLU 12 HB3 GLU 12 3.802 -10.662 -2.181 683 HB3 GLU 12 HB2 GLU 12 4.323 -9.836 -0.697 684 HG2 GLU 12 HG2 GLU 12 2.111 -10.769 -0.336 685 HG3 GLU 12 HG3 GLU 12 1.951 -8.998 -0.429 686 H GLN 13 H GLN 13 5.611 -7.510 -0.793 687 HA GLN 13 HA GLN 13 3.686 -5.898 0.665 688 HB2 GLN 13 HB3 GLN 13 6.610 -6.650 1.182 689 HB3 GLN 13 HB2 GLN 13 5.489 -5.935 2.364 690 HG2 GLN 13 HG3 GLN 13 4.109 -7.926 2.357 691 HG3 GLN 13 HG2 GLN 13 5.001 -8.607 0.976 692 HE21 GLN 13 HE21 GLN 13 4.769 -8.743 4.346 693 HE22 GLN 13 HE22 GLN 13 6.298 -9.381 4.630 694 H LYS 14 H LYS 14 6.031 -5.492 -1.832 695 HA LYS 14 HA LYS 14 7.090 -3.010 -0.906 696 HB2 LYS 14 HB3 LYS 14 6.915 -4.360 -3.636 697 HB3 LYS 14 HB2 LYS 14 7.682 -2.780 -3.376 698 HG2 LYS 14 HG3 LYS 14 9.299 -3.767 -1.828 699 HG3 LYS 14 HG2 LYS 14 8.502 -5.348 -1.963 700 HD2 LYS 14 HD3 LYS 14 8.991 -5.371 -4.405 701 HD3 LYS 14 HD2 LYS 14 9.839 -3.819 -4.238 702 HE2 LYS 14 HE3 LYS 14 11.433 -4.871 -2.645 703 HE3 LYS 14 HE2 LYS 14 10.580 -6.422 -2.824 704 HZ1 LYS 14 HZ1 LYS 14 11.106 -6.393 -5.144 705 HZ2 LYS 14 HZ2 LYS 14 11.893 -4.928 -4.991 706 HZ3 LYS 14 HZ3 LYS 14 12.500 -6.285 -4.232 707 H LYS 15 H LYS 15 4.540 -4.066 -3.142 708 HA LYS 15 HA LYS 15 3.662 -1.879 -4.352 709 HB2 LYS 15 HB3 LYS 15 2.202 -4.038 -2.781 710 HB3 LYS 15 HB2 LYS 15 1.365 -2.932 -3.894 711 HG2 LYS 15 HG3 LYS 15 2.224 -3.964 -5.767 712 HG3 LYS 15 HG2 LYS 15 3.781 -4.339 -4.976 713 HD2 LYS 15 HD3 LYS 15 2.227 -6.364 -5.383 714 HD3 LYS 15 HD2 LYS 15 2.835 -6.143 -3.724 715 HE2 LYS 15 HE3 LYS 15 0.717 -4.791 -3.257 716 HE3 LYS 15 HE2 LYS 15 0.086 -5.421 -4.796 717 HZ1 LYS 15 HZ1 LYS 15 0.450 -7.633 -3.961 718 HZ2 LYS 15 HZ2 LYS 15 1.082 -7.034 -2.539 719 HZ3 LYS 15 HZ3 LYS 15 -0.527 -6.781 -2.911 720 H ALA 16 H ALA 16 2.725 -2.727 -0.937 721 HA ALA 16 HA ALA 16 1.023 -0.537 -0.681 722 HB1 ALA 16 HB1 ALA 16 1.031 -2.503 0.823 723 HB2 ALA 16 HB2 ALA 16 2.647 -2.047 1.413 724 HB3 ALA 16 HB3 ALA 16 1.249 -0.994 1.739 725 H LEU 17 H LEU 17 4.546 -0.883 -0.034 726 HA LEU 17 HA LEU 17 4.571 1.772 1.084 727 HB2 LEU 17 HB3 LEU 17 6.631 -0.386 0.516 728 HB3 LEU 17 HB2 LEU 17 7.123 1.265 0.955 729 HG LEU 17 HG LEU 17 5.961 1.133 3.076 730 HD11 LEU 17 HD11 LEU 17 4.796 -0.956 3.753 731 HD12 LEU 17 HD12 LEU 17 3.999 -0.155 2.382 732 HD13 LEU 17 HD13 LEU 17 5.012 -1.593 2.103 733 HD21 LEU 17 HD21 LEU 17 8.225 0.149 2.950 734 HD22 LEU 17 HD22 LEU 17 7.216 -0.772 4.090 735 HD23 LEU 17 HD23 LEU 17 7.528 -1.415 2.461 736 H ASP 18 H ASP 18 4.537 0.481 -2.071 737 HA ASP 18 HA ASP 18 6.361 2.459 -3.104 738 HB2 ASP 18 HB3 ASP 18 6.088 0.161 -4.142 739 HB3 ASP 18 HB2 ASP 18 4.433 0.630 -4.602 740 H LEU 19 H LEU 19 2.864 1.659 -3.192 741 HA LEU 19 HA LEU 19 1.928 3.941 -4.435 742 HB2 LEU 19 HB3 LEU 19 0.945 2.041 -2.305 743 HB3 LEU 19 HB2 LEU 19 0.075 3.574 -2.511 744 HG LEU 19 HG LEU 19 -0.424 3.092 -4.813 745 HD11 LEU 19 HD11 LEU 19 1.222 0.549 -4.465 746 HD12 LEU 19 HD12 LEU 19 0.344 1.043 -5.929 747 HD13 LEU 19 HD13 LEU 19 1.745 1.988 -5.372 748 HD21 LEU 19 HD21 LEU 19 -0.821 0.630 -3.055 749 HD22 LEU 19 HD22 LEU 19 -1.859 2.075 -3.065 750 HD23 LEU 19 HD23 LEU 19 -1.775 1.029 -4.500 751 H ALA 20 H ALA 20 2.597 3.283 -0.974 752 HA ALA 20 HA ALA 20 1.814 5.820 -0.113 753 HB1 ALA 20 HB1 ALA 20 3.099 5.092 1.947 754 HB2 ALA 20 HB2 ALA 20 1.899 3.902 1.385 755 HB3 ALA 20 HB3 ALA 20 3.628 3.659 1.044 756 H PHE 21 H PHE 21 5.133 4.497 0.028 757 HA PHE 21 HA PHE 21 7.047 5.615 0.306 758 HB2 PHE 21 HB3 PHE 21 6.764 5.087 -2.137 759 HB3 PHE 21 HB2 PHE 21 6.212 6.768 -2.363 760 HD1 PHE 21 HD1 PHE 21 8.922 4.899 -0.680 761 HD2 PHE 21 HD2 PHE 21 7.845 8.322 -2.812 762 HE1 PHE 21 HE1 PHE 21 11.213 5.643 -0.641 763 HE2 PHE 21 HE2 PHE 21 10.139 9.061 -2.778 764 HZ PHE 21 HZ PHE 21 11.824 7.720 -1.698 765 H TYR 22 H TYR 22 5.478 7.128 1.967 766 HA TYR 22 HA TYR 22 6.787 9.573 1.794 767 HB2 TYR 22 HB3 TYR 22 5.126 9.958 -0.081 768 HB3 TYR 22 HB2 TYR 22 3.828 9.740 1.113 769 HD1 TYR 22 HD2 TYR 22 6.999 11.619 0.786 770 HD2 TYR 22 HD1 TYR 22 3.032 11.622 2.079 771 HE1 TYR 22 HE2 TYR 22 7.240 13.901 1.522 772 HE2 TYR 22 HE1 TYR 22 3.270 13.905 2.815 773 HH TYR 22 HH TYR 22 6.267 15.818 2.530 774 H PHE 23 H PHE 23 6.075 10.998 3.639 775 HA PHE 23 HA PHE 23 5.411 9.272 5.816 776 HB2 PHE 23 HB3 PHE 23 5.991 12.273 5.655 777 HB3 PHE 23 HB2 PHE 23 5.971 11.277 7.130 778 HD1 PHE 23 HD2 PHE 23 7.543 11.419 3.799 779 HD2 PHE 23 HD1 PHE 23 7.931 10.267 7.792 780 HE1 PHE 23 HE2 PHE 23 9.824 10.764 3.386 781 HE2 PHE 23 HE1 PHE 23 10.218 9.631 7.383 782 HZ PHE 23 HZ PHE 23 11.165 9.874 5.181 783 H ASP 24 H ASP 24 3.042 9.193 4.527 784 HA ASP 24 HA ASP 24 1.480 11.242 5.936 785 HB2 ASP 24 HB3 ASP 24 1.529 11.649 3.492 786 HB3 ASP 24 HB2 ASP 24 0.919 10.002 3.207 787 H ARG 25 H ARG 25 1.402 9.551 7.624 788 HA ARG 25 HA ARG 25 0.140 8.113 8.794 789 HB2 ARG 25 HB3 ARG 25 -1.280 7.430 6.182 790 HB3 ARG 25 HB2 ARG 25 -1.692 6.833 7.790 791 HG2 ARG 25 HG3 ARG 25 -1.640 9.805 7.163 792 HG3 ARG 25 HG2 ARG 25 -3.084 8.792 6.935 793 HD2 ARG 25 HD3 ARG 25 -2.929 8.072 9.329 794 HD3 ARG 25 HD2 ARG 25 -1.555 9.186 9.530 795 HE ARG 25 HE ARG 25 -3.243 10.909 8.721 796 HH11 ARG 25 HH11 ARG 25 -3.949 8.048 10.578 797 HH12 ARG 25 HH12 ARG 25 -5.274 8.707 11.373 798 HH21 ARG 25 HH21 ARG 25 -5.077 11.810 9.815 799 HH22 ARG 25 HH22 ARG 25 -5.928 10.885 10.931 800 H ARG 26 H ARG 26 2.702 7.609 7.429 801 HA ARG 26 HA ARG 26 2.783 4.875 7.992 802 HB2 ARG 26 HB3 ARG 26 3.458 4.046 5.764 803 HB3 ARG 26 HB2 ARG 26 1.764 4.582 5.765 804 HG2 ARG 26 HG3 ARG 26 3.614 6.762 5.128 805 HG3 ARG 26 HG2 ARG 26 3.774 5.398 3.995 806 HD2 ARG 26 HD3 ARG 26 1.323 5.424 3.618 807 HD3 ARG 26 HD2 ARG 26 1.172 6.812 4.718 808 HE ARG 26 HE ARG 26 3.070 7.476 2.847 809 HH11 ARG 26 HH11 ARG 26 -0.342 6.644 2.950 810 HH12 ARG 26 HH12 ARG 26 -0.726 7.537 1.585 811 HH21 ARG 26 HH21 ARG 26 2.485 8.606 0.908 812 HH22 ARG 26 HH22 ARG 26 0.879 8.673 0.426 813 H LEU 27 H LEU 27 5.006 4.153 8.017 814 HA LEU 27 HA LEU 27 7.225 4.342 8.024 815 HB2 LEU 27 HB3 LEU 27 6.858 5.473 5.769 816 HB3 LEU 27 HB2 LEU 27 6.948 7.027 6.627 817 HG LEU 27 HG LEU 27 9.115 6.398 5.646 818 HD11 LEU 27 HD11 LEU 27 10.481 6.830 7.572 819 HD12 LEU 27 HD12 LEU 27 8.941 7.688 7.829 820 HD13 LEU 27 HD13 LEU 27 9.259 6.152 8.670 821 HD21 LEU 27 HD21 LEU 27 8.956 4.021 7.547 822 HD22 LEU 27 HD22 LEU 27 8.865 3.951 5.769 823 HD23 LEU 27 HD23 LEU 27 10.369 4.473 6.563 824 H THR 28 H THR 28 5.163 6.728 9.536 825 HA THR 28 HA THR 28 7.541 7.823 10.801 826 HB THR 28 HB THR 28 5.974 9.444 11.797 827 HG1 THR 28 HG1 THR 28 3.779 9.231 11.316 828 HG21 THR 28 HG21 THR 28 6.677 9.877 9.470 829 HG22 THR 28 HG22 THR 28 5.324 8.890 8.867 830 HG23 THR 28 HG23 THR 28 5.000 10.417 9.723 831 HA PRO 29 HA PRO 29 7.358 5.295 14.287 832 HB2 PRO 29 HB3 PRO 29 6.462 7.675 15.928 833 HB3 PRO 29 HB2 PRO 29 7.706 6.444 16.325 834 HG2 PRO 29 HG3 PRO 29 8.481 8.839 15.363 835 HG3 PRO 29 HG2 PRO 29 9.225 7.345 14.705 836 HD2 PRO 29 HD3 PRO 29 7.038 9.055 13.493 837 HD3 PRO 29 HD2 PRO 29 8.427 8.253 12.687 838 H GLU 30 H GLU 30 4.565 7.544 14.380 839 HA GLU 30 HA GLU 30 3.091 5.755 15.940 840 HB2 GLU 30 HB3 GLU 30 2.607 8.194 15.671 841 HB3 GLU 30 HB2 GLU 30 2.022 7.859 14.021 842 HG2 GLU 30 HG3 GLU 30 0.317 6.326 14.909 843 HG3 GLU 30 HG2 GLU 30 0.975 6.512 16.552 844 H TRP 31 H TRP 31 3.449 6.014 12.352 845 HA TRP 31 HA TRP 31 1.580 3.755 12.351 846 HB2 TRP 31 HB3 TRP 31 2.216 5.825 10.227 847 HB3 TRP 31 HB2 TRP 31 1.239 4.368 9.920 848 HD1 TRP 31 HD1 TRP 31 -1.057 4.180 11.491 849 HE1 TRP 31 HE1 TRP 31 -2.582 5.981 12.324 850 HE3 TRP 31 HE3 TRP 31 2.052 8.011 10.932 851 HZ2 TRP 31 HZ2 TRP 31 -2.432 8.713 12.686 852 HZ3 TRP 31 HZ3 TRP 31 1.305 10.237 11.546 853 HH2 TRP 31 HH2 TRP 31 -0.910 10.580 12.415 854 H ARG 32 H ARG 32 4.786 3.945 12.548 855 HA ARG 32 HA ARG 32 5.431 2.554 10.137 856 HB2 ARG 32 HB3 ARG 32 7.054 3.900 11.592 857 HB3 ARG 32 HB2 ARG 32 7.020 2.529 12.727 858 HG2 ARG 32 HG3 ARG 32 7.840 1.027 10.982 859 HG3 ARG 32 HG2 ARG 32 7.643 2.296 9.748 860 HD2 ARG 32 HD3 ARG 32 9.581 2.358 12.105 861 HD3 ARG 32 HD2 ARG 32 9.993 2.178 10.383 862 HE ARG 32 HE ARG 32 8.913 4.449 10.162 863 HH11 ARG 32 HH11 ARG 32 10.440 3.274 13.068 864 HH12 ARG 32 HH12 ARG 32 10.842 4.800 13.644 865 HH21 ARG 32 HH21 ARG 32 9.435 6.512 10.952 866 HH22 ARG 32 HH22 ARG 32 10.269 6.698 12.403 867 H ARG 33 H ARG 33 4.728 1.710 13.559 868 HA ARG 33 HA ARG 33 4.943 -1.046 13.034 869 HB2 ARG 33 HB3 ARG 33 3.838 -1.321 15.211 870 HB3 ARG 33 HB2 ARG 33 5.102 -0.073 15.319 871 HG2 ARG 33 HG3 ARG 33 3.371 1.690 15.029 872 HG3 ARG 33 HG2 ARG 33 2.115 0.431 14.937 873 HD2 ARG 33 HD3 ARG 33 2.226 1.353 17.218 874 HD3 ARG 33 HD2 ARG 33 2.749 -0.348 17.213 875 HE ARG 33 HE ARG 33 4.950 1.361 16.858 876 HH11 ARG 33 HH11 ARG 33 2.596 0.275 19.183 877 HH12 ARG 33 HH12 ARG 33 3.590 0.493 20.519 878 HH21 ARG 33 HH21 ARG 33 6.321 1.656 18.706 879 HH22 ARG 33 HH22 ARG 33 5.748 1.293 20.244 880 H TYR 34 H TYR 34 2.470 1.330 12.391 881 HA TYR 34 HA TYR 34 0.270 -0.406 12.323 882 HB2 TYR 34 HB3 TYR 34 -0.007 2.013 12.321 883 HB3 TYR 34 HB2 TYR 34 0.962 2.154 10.840 884 HD1 TYR 34 HD2 TYR 34 -2.054 0.299 11.969 885 HD2 TYR 34 HD1 TYR 34 -0.114 2.413 8.938 886 HE1 TYR 34 HE2 TYR 34 -4.000 0.072 10.560 887 HE2 TYR 34 HE1 TYR 34 -2.062 2.200 7.536 888 HH TYR 34 HH TYR 34 -5.049 0.513 8.469 889 H LEU 35 H LEU 35 2.807 0.477 9.941 890 HA LEU 35 HA LEU 35 1.640 -1.062 7.867 891 HB2 LEU 35 HB3 LEU 35 4.286 0.238 8.456 892 HB3 LEU 35 HB2 LEU 35 4.264 -1.087 7.268 893 HG LEU 35 HG LEU 35 2.547 0.028 5.964 894 HD11 LEU 35 HD11 LEU 35 1.721 2.264 6.557 895 HD12 LEU 35 HD12 LEU 35 1.375 1.118 7.874 896 HD13 LEU 35 HD13 LEU 35 2.728 2.267 8.023 897 HD21 LEU 35 HD21 LEU 35 4.907 0.610 5.516 898 HD22 LEU 35 HD22 LEU 35 3.850 2.011 5.228 899 HD23 LEU 35 HD23 LEU 35 4.819 1.919 6.719 900 H SER 36 H SER 36 4.323 -1.724 10.237 901 HA SER 36 HA SER 36 4.715 -4.273 9.177 902 HB2 SER 36 HB3 SER 36 6.025 -4.691 11.197 903 HB3 SER 36 HB2 SER 36 6.371 -3.052 10.593 904 HG SER 36 HG SER 36 6.047 -3.201 12.826 905 H GLN 37 H GLN 37 2.102 -3.151 11.165 906 HA GLN 37 HA GLN 37 1.706 -5.486 12.653 907 HB2 GLN 37 HB3 GLN 37 0.554 -3.328 13.082 908 HB3 GLN 37 HB2 GLN 37 -0.302 -3.482 11.529 909 HG2 GLN 37 HG3 GLN 37 -1.334 -5.592 12.299 910 HG3 GLN 37 HG2 GLN 37 -0.463 -5.465 13.846 911 HE21 GLN 37 HE21 GLN 37 -3.428 -4.817 12.400 912 HE22 GLN 37 HE22 GLN 37 -3.933 -3.604 13.446 913 H ARG 38 H ARG 38 0.508 -4.489 9.378 914 HA ARG 38 HA ARG 38 -0.415 -7.265 9.196 915 HB2 ARG 38 HB3 ARG 38 -1.472 -4.728 7.874 916 HB3 ARG 38 HB2 ARG 38 -2.072 -6.373 7.555 917 HG2 ARG 38 HG3 ARG 38 -2.643 -6.619 9.966 918 HG3 ARG 38 HG2 ARG 38 -2.083 -4.954 10.257 919 HD2 ARG 38 HD3 ARG 38 -4.338 -5.764 8.368 920 HD3 ARG 38 HD2 ARG 38 -4.547 -5.036 9.979 921 HE ARG 38 HE ARG 38 -2.876 -3.380 8.549 922 HH11 ARG 38 HH11 ARG 38 -6.116 -4.652 8.386 923 HH12 ARG 38 HH12 ARG 38 -6.770 -3.299 7.635 924 HH21 ARG 38 HH21 ARG 38 -3.785 -1.523 7.497 925 HH22 ARG 38 HH22 ARG 38 -5.420 -1.493 7.113 926 H LEU 39 H LEU 39 2.099 -5.318 8.104 927 HA LEU 39 HA LEU 39 1.807 -6.125 5.364 928 HB2 LEU 39 HB3 LEU 39 2.824 -3.947 6.051 929 HB3 LEU 39 HB2 LEU 39 4.184 -4.849 6.764 930 HG LEU 39 HG LEU 39 4.656 -5.861 4.539 931 HD11 LEU 39 HD11 LEU 39 2.333 -4.085 3.655 932 HD12 LEU 39 HD12 LEU 39 3.410 -4.982 2.559 933 HD13 LEU 39 HD13 LEU 39 2.342 -5.865 3.676 934 HD21 LEU 39 HD21 LEU 39 5.383 -3.765 3.405 935 HD22 LEU 39 HD22 LEU 39 4.308 -2.828 4.472 936 HD23 LEU 39 HD23 LEU 39 5.708 -3.686 5.153 937 H GLY 40 H GLY 40 3.979 -7.016 8.134 938 HA2 GLY 40 HA3 GLY 40 4.154 -9.458 8.261 939 HA3 GLY 40 HA2 GLY 40 4.517 -9.411 6.526 940 H LEU 41 H LEU 41 6.104 -6.720 7.563 941 HA LEU 41 HA LEU 41 8.330 -8.334 8.542 942 HB2 LEU 41 HB3 LEU 41 9.842 -6.693 7.354 943 HB3 LEU 41 HB2 LEU 41 8.981 -7.843 6.314 944 HG LEU 41 HG LEU 41 9.048 -5.323 5.616 945 HD11 LEU 41 HD11 LEU 41 6.889 -5.601 4.536 946 HD12 LEU 41 HD12 LEU 41 7.699 -7.183 4.604 947 HD13 LEU 41 HD13 LEU 41 6.390 -6.804 5.750 948 HD21 LEU 41 HD21 LEU 41 6.806 -5.373 7.694 949 HD22 LEU 41 HD22 LEU 41 8.299 -4.409 7.785 950 HD23 LEU 41 HD23 LEU 41 7.094 -4.066 6.526 951 H ASN 42 H ASN 42 10.053 -6.624 9.548 952 HA ASN 42 HA ASN 42 8.433 -5.417 11.566 953 HB2 ASN 42 HB3 ASN 42 11.458 -5.538 11.197 954 HB3 ASN 42 HB2 ASN 42 10.612 -4.952 12.649 955 HD21 ASN 42 HD21 ASN 42 10.325 -6.484 14.237 956 HD22 ASN 42 HD22 ASN 42 10.280 -8.139 13.950 957 H GLU 43 H GLU 43 9.189 -3.245 12.443 958 HA GLU 43 HA GLU 43 8.529 -1.245 10.700 959 HB2 GLU 43 HB3 GLU 43 10.236 -1.228 13.228 960 HB3 GLU 43 HB2 GLU 43 9.691 0.235 12.386 961 HG2 GLU 43 HG3 GLU 43 8.079 -0.052 14.059 962 HG3 GLU 43 HG2 GLU 43 7.299 -0.739 12.618 963 H GLU 44 H GLU 44 11.856 -2.350 11.629 964 HA GLU 44 HA GLU 44 13.063 -0.285 10.201 965 HB2 GLU 44 HB3 GLU 44 15.090 -1.681 10.380 966 HB3 GLU 44 HB2 GLU 44 14.199 -1.664 11.920 967 HG2 GLU 44 HG3 GLU 44 13.131 -3.831 11.299 968 HG3 GLU 44 HG2 GLU 44 14.083 -3.852 9.795 969 H GLN 45 H GLN 45 11.486 -3.203 8.981 970 HA GLN 45 HA GLN 45 13.127 -3.135 6.627 971 HB2 GLN 45 HB3 GLN 45 10.546 -4.618 7.287 972 HB3 GLN 45 HB2 GLN 45 11.530 -4.878 5.828 973 HG2 GLN 45 HG3 GLN 45 12.506 -5.235 8.696 974 HG3 GLN 45 HG2 GLN 45 12.028 -6.559 7.607 975 HE21 GLN 45 HE21 GLN 45 13.213 -6.257 5.283 976 HE22 GLN 45 HE22 GLN 45 14.863 -5.977 5.430 977 H ILE 46 H ILE 46 10.543 -1.292 7.843 978 HA ILE 46 HA ILE 46 9.267 -0.822 5.315 979 HB ILE 46 HB ILE 46 9.322 0.831 7.893 980 HG12 ILE 46 HG13 ILE 46 8.462 -1.487 8.295 981 HG13 ILE 46 HG12 ILE 46 7.197 -0.249 8.477 982 HG21 ILE 46 HG21 ILE 46 7.292 0.722 5.622 983 HG22 ILE 46 HG22 ILE 46 7.282 1.838 7.006 984 HG23 ILE 46 HG23 ILE 46 8.562 1.954 5.773 985 HD11 ILE 46 HD11 ILE 46 6.433 -0.696 6.161 986 HD12 ILE 46 HD12 ILE 46 7.682 -1.952 5.995 987 HD13 ILE 46 HD13 ILE 46 6.356 -2.161 7.166 988 H GLU 47 H GLU 47 11.555 0.780 7.558 989 HA GLU 47 HA GLU 47 12.040 2.979 5.914 990 HB2 GLU 47 HB3 GLU 47 13.747 1.600 8.034 991 HB3 GLU 47 HB2 GLU 47 14.119 3.184 7.313 992 HG2 GLU 47 HG3 GLU 47 11.959 4.075 8.116 993 HG3 GLU 47 HG2 GLU 47 11.566 2.492 8.831 994 H ARG 48 H ARG 48 13.289 -0.359 5.735 995 HA ARG 48 HA ARG 48 15.527 0.520 4.195 996 HB2 ARG 48 HB3 ARG 48 14.403 -2.095 5.062 997 HB3 ARG 48 HB2 ARG 48 15.237 -2.083 3.490 998 HG2 ARG 48 HG3 ARG 48 16.871 -2.551 5.236 999 HG3 ARG 48 HG2 ARG 48 17.188 -0.945 4.544 1000 HD2 ARG 48 HD3 ARG 48 15.999 0.108 6.451 1001 HD3 ARG 48 HD2 ARG 48 15.676 -1.511 7.122 1002 HE ARG 48 HE ARG 48 18.406 -1.260 6.703 1003 HH11 ARG 48 HH11 ARG 48 15.795 0.015 8.612 1004 HH12 ARG 48 HH12 ARG 48 16.738 0.356 9.961 1005 HH21 ARG 48 HH21 ARG 48 19.713 -0.799 8.570 1006 HH22 ARG 48 HH22 ARG 48 19.012 -0.120 9.938 1007 H TRP 49 H TRP 49 12.213 -0.759 3.354 1008 HA TRP 49 HA TRP 49 12.926 -0.866 0.645 1009 HB2 TRP 49 HB3 TRP 49 10.890 -1.956 1.506 1010 HB3 TRP 49 HB2 TRP 49 10.174 -0.356 1.838 1011 HD1 TRP 49 HD1 TRP 49 8.614 0.290 -0.158 1012 HE1 TRP 49 HE1 TRP 49 8.656 0.045 -2.648 1013 HE3 TRP 49 HE3 TRP 49 12.913 -2.164 -0.517 1014 HZ2 TRP 49 HZ2 TRP 49 10.373 -1.048 -4.516 1015 HZ3 TRP 49 HZ3 TRP 49 13.749 -2.763 -2.715 1016 HH2 TRP 49 HH2 TRP 49 12.491 -2.213 -4.688 1017 H PHE 50 H PHE 50 11.691 1.802 2.693 1018 HA PHE 50 HA PHE 50 11.325 3.633 0.607 1019 HB2 PHE 50 HB3 PHE 50 11.986 3.770 3.561 1020 HB3 PHE 50 HB2 PHE 50 12.018 5.243 2.567 1021 HD1 PHE 50 HD2 PHE 50 9.767 2.305 2.906 1022 HD2 PHE 50 HD1 PHE 50 10.142 6.447 2.580 1023 HE1 PHE 50 HE2 PHE 50 7.379 2.539 3.085 1024 HE2 PHE 50 HE1 PHE 50 7.753 6.679 2.763 1025 HZ PHE 50 HZ PHE 50 6.367 4.723 3.018 1026 H ARG 51 H ARG 51 14.222 2.784 2.585 1027 HA ARG 51 HA ARG 51 15.803 4.800 1.488 1028 HB2 ARG 51 HB3 ARG 51 16.326 3.521 3.565 1029 HB3 ARG 51 HB2 ARG 51 16.616 2.070 2.574 1030 HG2 ARG 51 HG3 ARG 51 18.749 3.221 3.064 1031 HG3 ARG 51 HG2 ARG 51 18.386 3.311 1.321 1032 HD2 ARG 51 HD3 ARG 51 17.446 5.574 1.621 1033 HD3 ARG 51 HD2 ARG 51 17.757 5.487 3.370 1034 HE ARG 51 HE ARG 51 20.148 5.000 2.097 1035 HH11 ARG 51 HH11 ARG 51 17.734 7.494 2.357 1036 HH12 ARG 51 HH12 ARG 51 18.808 8.770 2.154 1037 HH21 ARG 51 HH21 ARG 51 21.631 6.766 1.814 1038 HH22 ARG 51 HH22 ARG 51 21.066 8.348 1.841 1039 H ARG 52 H ARG 52 15.061 1.473 0.315 1040 HA ARG 52 HA ARG 52 17.209 1.608 -1.564 1041 HB2 ARG 52 HB3 ARG 52 14.663 -0.075 -1.501 1042 HB3 ARG 52 HB2 ARG 52 16.029 -0.333 -2.602 1043 HG2 ARG 52 HG3 ARG 52 16.189 -0.511 0.439 1044 HG3 ARG 52 HG2 ARG 52 16.028 -1.888 -0.668 1045 HD2 ARG 52 HD3 ARG 52 18.317 -1.855 -0.323 1046 HD3 ARG 52 HD2 ARG 52 18.188 -0.870 -1.799 1047 HE ARG 52 HE ARG 52 17.980 0.755 0.481 1048 HH11 ARG 52 HH11 ARG 52 20.197 -1.218 -1.335 1049 HH12 ARG 52 HH12 ARG 52 21.571 -0.364 -0.883 1050 HH21 ARG 52 HH21 ARG 52 19.885 1.927 1.117 1051 HH22 ARG 52 HH22 ARG 52 21.390 1.458 0.536 1052 H LYS 53 H LYS 53 13.745 2.489 -1.506 1053 HA LYS 53 HA LYS 53 13.412 2.732 -4.261 1054 HB2 LYS 53 HB3 LYS 53 12.226 4.108 -1.829 1055 HB3 LYS 53 HB2 LYS 53 11.689 4.504 -3.476 1056 HG2 LYS 53 HG3 LYS 53 11.777 1.622 -2.580 1057 HG3 LYS 53 HG2 LYS 53 10.403 2.658 -2.116 1058 HD2 LYS 53 HD3 LYS 53 11.387 2.399 -4.987 1059 HD3 LYS 53 HD2 LYS 53 10.082 1.395 -4.305 1060 HE2 LYS 53 HE3 LYS 53 8.789 3.411 -3.728 1061 HE3 LYS 53 HE2 LYS 53 10.105 4.443 -4.336 1062 HZ1 LYS 53 HZ1 LYS 53 9.803 3.413 -6.488 1063 HZ2 LYS 53 HZ2 LYS 53 8.507 2.539 -5.914 1064 HZ3 LYS 53 HZ3 LYS 53 8.428 4.203 -5.970 1065 H GLU 54 H GLU 54 14.908 4.953 -1.860 1066 HA GLU 54 HA GLU 54 14.970 6.881 -4.013 1067 HB2 GLU 54 HB3 GLU 54 15.620 8.489 -2.265 1068 HB3 GLU 54 HB2 GLU 54 14.105 7.643 -1.890 1069 HG2 GLU 54 HG3 GLU 54 15.423 6.054 -0.440 1070 HG3 GLU 54 HG2 GLU 54 16.853 7.081 -0.700 1071 H GLN 55 H GLN 55 17.501 5.493 -1.732 1072 HA GLN 55 HA GLN 55 19.341 7.001 -3.261 1073 HB2 GLN 55 HB3 GLN 55 21.030 6.132 -1.818 1074 HB3 GLN 55 HB2 GLN 55 19.586 6.424 -0.825 1075 HG2 GLN 55 HG3 GLN 55 20.248 4.304 -0.110 1076 HG3 GLN 55 HG2 GLN 55 19.054 3.884 -1.364 1077 HE21 GLN 55 HE21 GLN 55 19.896 2.136 -2.531 1078 HE22 GLN 55 HE22 GLN 55 21.494 2.040 -3.042 1079 H GLN 56 H GLN 56 17.831 4.090 -4.158 1080 HA GLN 56 HA GLN 56 20.119 2.738 -5.073 1081 HB2 GLN 56 HB3 GLN 56 17.887 1.683 -4.858 1082 HB3 GLN 56 HB2 GLN 56 17.276 2.721 -6.171 1083 HG2 GLN 56 HG3 GLN 56 17.955 0.479 -7.012 1084 HG3 GLN 56 HG2 GLN 56 18.972 1.764 -7.707 1085 HE21 GLN 56 HE21 GLN 56 18.976 -0.156 -4.624 1086 HE22 GLN 56 HE22 GLN 56 20.610 -0.529 -4.733 1087 H ILE 57 H ILE 57 17.967 5.200 -6.667 1088 HA ILE 57 HA ILE 57 19.895 4.977 -8.834 1089 HB ILE 57 HB ILE 57 18.282 5.775 -10.317 1090 HG12 ILE 57 HG13 ILE 57 16.155 6.926 -9.340 1091 HG13 ILE 57 HG12 ILE 57 17.136 7.148 -7.873 1092 HG21 ILE 57 HG21 ILE 57 16.161 4.610 -9.777 1093 HG22 ILE 57 HG22 ILE 57 17.568 3.605 -9.354 1094 HG23 ILE 57 HG23 ILE 57 16.673 4.466 -8.079 1095 HD11 ILE 57 HD11 ILE 57 18.914 8.213 -9.345 1096 HD12 ILE 57 HD12 ILE 57 17.784 8.089 -10.709 1097 HD13 ILE 57 HD13 ILE 57 17.391 9.120 -9.312 1098 H GLY 58 H GLY 58 19.082 7.068 -6.159 1099 HA2 GLY 58 HA3 GLY 58 20.876 8.820 -6.035 1100 HA3 GLY 58 HA2 GLY 58 20.392 9.185 -7.704 1101 H TRP 59 H TRP 59 17.862 8.245 -5.541 1102 HA TRP 59 HA TRP 59 16.466 9.351 -4.224 1103 HB2 TRP 59 HB3 TRP 59 18.234 10.980 -3.613 1104 HB3 TRP 59 HB2 TRP 59 17.817 11.932 -5.062 1105 HD1 TRP 59 HD1 TRP 59 16.077 10.726 -1.824 1106 HE1 TRP 59 HE1 TRP 59 14.260 12.362 -1.281 1107 HE3 TRP 59 HE3 TRP 59 16.490 13.576 -5.877 1108 HZ2 TRP 59 HZ2 TRP 59 13.165 14.601 -2.470 1109 HZ3 TRP 59 HZ3 TRP 59 15.011 15.484 -6.130 1110 HH2 TRP 59 HH2 TRP 59 13.372 15.988 -4.447 1111 H SER 60 H SER 60 16.580 9.769 -7.669 1112 HA SER 60 HA SER 60 14.310 11.512 -7.503 1113 HB2 SER 60 HB3 SER 60 14.123 11.340 -9.893 1114 HB3 SER 60 HB2 SER 60 15.836 11.580 -9.484 1115 HG SER 60 HG SER 60 15.501 9.979 -11.034 1116 H HIS 61 H HIS 61 14.790 8.255 -6.903 1117 HA HIS 61 HA HIS 61 13.490 6.452 -6.921 1118 HB2 HIS 61 HB3 HIS 61 11.546 6.770 -5.478 1119 HB3 HIS 61 HB2 HIS 61 12.992 7.583 -4.849 1120 HD1 HIS 61 HD1 HIS 61 12.950 10.267 -5.172 1121 HD2 HIS 61 HD2 HIS 61 9.462 8.264 -5.945 1122 HE1 HIS 61 HE1 HIS 61 11.100 11.953 -5.160 1123 HE2 HIS 61 HE2 HIS 61 8.980 10.711 -5.642 1124 HA PRO 62 HA PRO 62 10.426 7.312 -10.206 1125 HB2 PRO 62 HB3 PRO 62 11.657 6.469 -12.465 1126 HB3 PRO 62 HB2 PRO 62 12.072 8.072 -11.771 1127 HG2 PRO 62 HG3 PRO 62 13.531 5.432 -11.402 1128 HG3 PRO 62 HG2 PRO 62 14.228 7.019 -11.859 1129 HD2 PRO 62 HD3 PRO 62 14.174 6.063 -9.253 1130 HD3 PRO 62 HD2 PRO 62 14.105 7.807 -9.659 1131 H GLN 63 H GLN 63 11.939 4.755 -8.746 1132 HA GLN 63 HA GLN 63 11.217 2.711 -10.570 1133 HB2 GLN 63 HB3 GLN 63 11.923 2.715 -7.605 1134 HB3 GLN 63 HB2 GLN 63 11.738 1.254 -8.601 1135 HG2 GLN 63 HG3 GLN 63 13.542 2.053 -10.106 1136 HG3 GLN 63 HG2 GLN 63 13.739 3.505 -9.093 1137 HE21 GLN 63 HE21 GLN 63 12.875 1.112 -6.960 1138 HE22 GLN 63 HE22 GLN 63 14.413 0.580 -6.540 1139 H PHE 64 H PHE 64 8.773 3.753 -10.614 1140 HA PHE 64 HA PHE 64 7.269 2.724 -8.360 1141 HB2 PHE 64 HB3 PHE 64 6.446 3.983 -11.026 1142 HB3 PHE 64 HB2 PHE 64 5.311 3.405 -9.785 1143 HD1 PHE 64 HD1 PHE 64 8.147 5.710 -10.245 1144 HD2 PHE 64 HD2 PHE 64 4.711 4.783 -8.068 1145 HE1 PHE 64 HE1 PHE 64 8.330 7.805 -9.071 1146 HE2 PHE 64 HE2 PHE 64 4.889 6.882 -6.896 1147 HZ PHE 64 HZ PHE 64 6.702 8.391 -7.393 1148 H GLU 65 H GLU 65 7.699 2.111 -11.878 1149 HA GLU 65 HA GLU 65 6.734 -0.595 -11.302 1150 HB2 GLU 65 HB3 GLU 65 6.023 -0.649 -13.674 1151 HB3 GLU 65 HB2 GLU 65 5.238 0.692 -12.807 1152 HG2 GLU 65 HG3 GLU 65 6.992 2.246 -13.673 1153 HG3 GLU 65 HG2 GLU 65 7.706 0.895 -14.587 1154 H LYS 66 H LYS 66 9.511 1.161 -11.758 1155 HA LYS 66 HA LYS 66 10.658 -0.996 -13.374 1156 HB2 LYS 66 HB3 LYS 66 11.586 1.870 -12.872 1157 HB3 LYS 66 HB2 LYS 66 12.482 0.662 -13.823 1158 HG2 LYS 66 HG3 LYS 66 10.614 0.474 -15.404 1159 HG3 LYS 66 HG2 LYS 66 9.647 1.609 -14.432 1160 HD2 LYS 66 HD3 LYS 66 12.342 2.312 -15.670 1161 HD3 LYS 66 HD2 LYS 66 10.772 2.665 -16.431 1162 HE2 LYS 66 HE3 LYS 66 10.096 3.968 -14.426 1163 HE3 LYS 66 HE2 LYS 66 11.691 3.657 -13.697 1164 HZ1 LYS 66 HZ1 LYS 66 11.201 5.036 -16.250 1165 HZ2 LYS 66 HZ2 LYS 66 11.608 5.769 -14.807 1166 HZ3 LYS 66 HZ3 LYS 66 12.694 4.752 -15.562
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