NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
589381 | 2n0y | 25540 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H2 PRO 1 H2 PRO 1 15.642 -5.616 -0.857 2 H3 PRO 1 H3 PRO 1 16.206 -5.022 0.557 3 HA PRO 1 HA PRO 1 15.150 -7.585 -0.076 4 HB2 PRO 1 HB3 PRO 1 16.601 -7.478 2.471 5 HB3 PRO 1 HB2 PRO 1 16.487 -8.784 1.284 6 HG2 PRO 1 HG3 PRO 1 18.547 -6.783 1.553 7 HG3 PRO 1 HG2 PRO 1 18.485 -8.162 0.447 8 HD2 PRO 1 HD2 PRO 1 18.343 -5.544 -0.369 9 HD3 PRO 1 HD3 PRO 1 17.646 -6.895 -1.276 10 H SER 2 H SER 2 15.797 -5.150 2.479 11 HA SER 2 HA SER 2 13.054 -5.544 3.418 12 HB2 SER 2 HB3 SER 2 13.810 -4.114 5.349 13 HB3 SER 2 HB2 SER 2 14.680 -5.633 5.177 14 HG SER 2 HG SER 2 16.457 -4.585 4.689 15 H HIS 3 H HIS 3 15.230 -2.796 2.820 16 HA HIS 3 HA HIS 3 12.957 -1.039 2.428 17 HB2 HIS 3 HB3 HIS 3 15.944 -0.668 2.513 18 HB3 HIS 3 HB2 HIS 3 14.933 0.593 1.827 19 HD1 HIS 3 HD1 HIS 3 15.541 -1.204 5.108 20 HD2 HIS 3 HD2 HIS 3 13.776 2.260 3.636 21 HE1 HIS 3 HE1 HIS 3 14.995 0.193 7.127 22 HE2 HIS 3 HE2 HIS 3 14.076 2.355 6.201 23 H SER 4 H SER 4 13.974 -3.291 0.539 24 HA SER 4 HA SER 4 13.257 -1.958 -1.899 25 HB2 SER 4 HB3 SER 4 16.046 -3.139 -1.843 26 HB3 SER 4 HB2 SER 4 15.266 -2.243 -3.147 27 HG SER 4 HG SER 4 15.194 -0.622 -1.128 28 H GLY 5 H GLY 5 12.538 -3.414 -3.421 29 HA2 GLY 5 HA3 GLY 5 13.226 -6.162 -3.502 30 HA3 GLY 5 HA2 GLY 5 11.716 -5.950 -2.621 31 H ALA 6 H ALA 6 12.330 -7.161 -5.324 32 HA ALA 6 HA ALA 6 11.321 -5.289 -7.238 33 HB1 ALA 6 HB1 ALA 6 11.494 -7.057 -8.853 34 HB2 ALA 6 HB2 ALA 6 11.693 -8.256 -7.572 35 HB3 ALA 6 HB3 ALA 6 12.938 -7.035 -7.841 36 H ALA 7 H ALA 7 9.220 -4.801 -7.553 37 HA ALA 7 HA ALA 7 7.182 -6.833 -6.906 38 HB1 ALA 7 HB1 ALA 7 7.211 -5.172 -5.122 39 HB2 ALA 7 HB2 ALA 7 5.709 -5.073 -6.050 40 HB3 ALA 7 HB3 ALA 7 6.988 -3.884 -6.306 41 H ILE 8 H ILE 8 5.111 -6.468 -7.914 42 HA ILE 8 HA ILE 8 5.335 -5.326 -10.626 43 HB ILE 8 HB ILE 8 3.499 -7.445 -9.475 44 HG12 ILE 8 HG13 ILE 8 4.432 -8.808 -11.400 45 HG13 ILE 8 HG12 ILE 8 5.638 -7.553 -11.592 46 HG21 ILE 8 HG21 ILE 8 2.235 -5.989 -10.940 47 HG22 ILE 8 HG22 ILE 8 2.430 -7.593 -11.644 48 HG23 ILE 8 HG23 ILE 8 3.412 -6.249 -12.225 49 HD11 ILE 8 HD11 ILE 8 5.227 -9.276 -9.168 50 HD12 ILE 8 HD12 ILE 8 6.409 -7.974 -9.301 51 HD13 ILE 8 HD13 ILE 8 6.541 -9.392 -10.341 52 H PHE 9 H PHE 9 4.257 -3.510 -11.022 53 HA PHE 9 HA PHE 9 2.111 -2.775 -9.159 54 HB2 PHE 9 HB3 PHE 9 3.989 -1.318 -8.814 55 HB3 PHE 9 HB2 PHE 9 4.144 -1.023 -10.540 56 HD1 PHE 9 HD1 PHE 9 1.947 -0.441 -7.617 57 HD2 PHE 9 HD2 PHE 9 2.993 0.736 -11.570 58 HE1 PHE 9 HE1 PHE 9 0.530 1.554 -7.398 59 HE2 PHE 9 HE2 PHE 9 1.570 2.728 -11.357 60 HZ PHE 9 HZ PHE 9 0.336 3.139 -9.268 61 H GLU 10 H GLU 10 0.236 -3.106 -10.173 62 HA GLU 10 HA GLU 10 -1.395 -3.142 -11.744 63 HB2 GLU 10 HB2 GLU 10 0.177 -0.884 -12.987 64 HB3 GLU 10 HB3 GLU 10 -1.478 -1.317 -13.386 65 HG2 GLU 10 HG3 GLU 10 -2.026 -0.892 -10.956 66 HG3 GLU 10 HG2 GLU 10 -0.429 -0.158 -10.830 67 H LYS 11 H LYS 11 0.428 -5.012 -11.993 68 HA LYS 11 HA LYS 11 0.680 -6.780 -13.345 69 HB2 LYS 11 HB2 LYS 11 -0.430 -5.154 -15.611 70 HB3 LYS 11 HB3 LYS 11 -0.321 -6.910 -15.508 71 HG2 LYS 11 HG2 LYS 11 -1.937 -5.185 -13.681 72 HG3 LYS 11 HG3 LYS 11 -2.586 -6.061 -15.051 73 HD2 LYS 11 HD2 LYS 11 -2.250 -8.096 -14.014 74 HD3 LYS 11 HD3 LYS 11 -1.101 -7.439 -12.872 75 HE2 LYS 11 HE2 LYS 11 -2.920 -6.140 -11.860 76 HE3 LYS 11 HE3 LYS 11 -4.058 -6.904 -12.963 77 HZ1 LYS 11 HZ1 LYS 11 -4.101 -8.006 -10.839 78 HZ2 LYS 11 HZ2 LYS 11 -2.432 -8.275 -10.888 79 HZ3 LYS 11 HZ3 LYS 11 -3.444 -9.054 -11.992 80 H VAL 12 H VAL 12 2.257 -3.829 -13.920 81 HA VAL 12 HA VAL 12 4.172 -5.114 -15.714 82 HB VAL 12 HB VAL 12 4.001 -2.885 -16.425 83 HG11 VAL 12 HG21 VAL 12 2.677 -2.052 -14.565 84 HG12 VAL 12 HG22 VAL 12 3.990 -0.949 -14.972 85 HG13 VAL 12 HG23 VAL 12 4.123 -1.996 -13.558 86 HG21 VAL 12 HG13 VAL 12 6.129 -1.807 -15.790 87 HG22 VAL 12 HG11 VAL 12 6.320 -3.519 -16.164 88 HG23 VAL 12 HG12 VAL 12 6.304 -2.984 -14.481 89 H SER 13 H SER 13 6.029 -5.944 -15.094 90 HA SER 13 HA SER 13 6.580 -6.246 -12.294 91 HB2 SER 13 HB3 SER 13 6.859 -8.145 -13.782 92 HB3 SER 13 HB2 SER 13 8.004 -7.244 -14.770 93 HG SER 13 HG SER 13 8.497 -7.685 -12.025 94 H GLY 14 H GLY 14 8.002 -5.167 -11.096 95 HA2 GLY 14 HA3 GLY 14 10.227 -3.790 -12.314 96 HA3 GLY 14 HA2 GLY 14 9.018 -2.743 -11.603 97 H ILE 15 H ILE 15 10.602 -1.984 -10.139 98 HA ILE 15 HA ILE 15 11.209 -3.859 -7.985 99 HB ILE 15 HB ILE 15 13.010 -1.594 -8.733 100 HG12 ILE 15 HG13 ILE 15 12.813 -3.208 -10.617 101 HG13 ILE 15 HG12 ILE 15 14.417 -3.106 -9.935 102 HG21 ILE 15 HG21 ILE 15 13.461 -4.080 -7.105 103 HG22 ILE 15 HG22 ILE 15 13.260 -2.444 -6.478 104 HG23 ILE 15 HG23 ILE 15 14.672 -2.849 -7.454 105 HD11 ILE 15 HD11 ILE 15 12.424 -5.271 -9.405 106 HD12 ILE 15 HD12 ILE 15 14.066 -5.188 -8.766 107 HD13 ILE 15 HD13 ILE 15 13.800 -5.376 -10.501 108 H ILE 16 H ILE 16 11.390 -2.964 -5.905 109 HA ILE 16 HA ILE 16 10.086 -0.344 -5.579 110 HB ILE 16 HB ILE 16 9.261 -2.913 -4.614 111 HG12 ILE 16 HG13 ILE 16 8.181 -0.144 -4.076 112 HG13 ILE 16 HG12 ILE 16 7.836 -1.107 -5.508 113 HG21 ILE 16 HG21 ILE 16 9.922 -0.929 -2.430 114 HG22 ILE 16 HG22 ILE 16 10.624 -2.533 -2.642 115 HG23 ILE 16 HG23 ILE 16 8.918 -2.366 -2.226 116 HD11 ILE 16 HD11 ILE 16 6.766 -2.799 -4.113 117 HD12 ILE 16 HD12 ILE 16 6.016 -1.216 -3.904 118 HD13 ILE 16 HD13 ILE 16 7.121 -1.834 -2.677 119 H ALA 17 H ALA 17 11.163 1.077 -4.350 120 HA ALA 17 HA ALA 17 13.122 0.034 -2.439 121 HB1 ALA 17 HB1 ALA 17 14.689 1.853 -3.065 122 HB2 ALA 17 HB2 ALA 17 13.656 2.198 -4.458 123 HB3 ALA 17 HB3 ALA 17 14.449 0.624 -4.306 124 H ILE 18 H ILE 18 12.260 0.602 -0.563 125 HA ILE 18 HA ILE 18 11.088 3.188 -0.080 126 HB ILE 18 HB ILE 18 11.975 1.219 2.016 127 HG12 ILE 18 HG13 ILE 18 9.309 0.860 1.954 128 HG13 ILE 18 HG12 ILE 18 9.594 1.180 0.246 129 HG21 ILE 18 HG21 ILE 18 11.551 3.551 2.731 130 HG22 ILE 18 HG22 ILE 18 10.414 2.393 3.444 131 HG23 ILE 18 HG23 ILE 18 9.904 3.414 2.100 132 HD11 ILE 18 HD11 ILE 18 10.711 -1.021 1.928 133 HD12 ILE 18 HD12 ILE 18 11.374 -0.591 0.353 134 HD13 ILE 18 HD13 ILE 18 9.705 -1.128 0.487 135 H ASN 19 H ASN 19 12.346 4.914 0.260 136 HA ASN 19 HA ASN 19 15.036 4.464 1.357 137 HB2 ASN 19 HB2 ASN 19 15.476 5.085 -0.855 138 HB3 ASN 19 HB3 ASN 19 14.103 6.181 -0.913 139 HD21 ASN 19 HD21 ASN 19 14.317 8.252 -0.170 140 HD22 ASN 19 HD22 ASN 19 15.845 8.965 0.208 141 H GLU 20 H GLU 20 15.195 5.323 3.382 142 HA GLU 20 HA GLU 20 13.869 7.941 3.602 143 HB2 GLU 20 HB2 GLU 20 15.234 6.431 5.838 144 HB3 GLU 20 HB3 GLU 20 14.053 7.721 5.964 145 HG2 GLU 20 HG3 GLU 20 12.278 6.337 5.460 146 HG3 GLU 20 HG2 GLU 20 13.314 5.135 4.702 147 H ASP 21 H ASP 21 15.649 8.564 2.074 148 HA ASP 21 HA ASP 21 17.686 9.864 3.746 149 HB2 ASP 21 HB2 ASP 21 18.838 8.673 1.997 150 HB3 ASP 21 HB3 ASP 21 17.689 9.215 0.785 151 H VAL 22 H VAL 22 14.762 9.968 2.478 152 HA VAL 22 HA VAL 22 14.985 12.373 0.832 153 HB VAL 22 HB VAL 22 14.287 10.190 -0.128 154 HG11 VAL 22 HG21 VAL 22 12.133 9.218 0.437 155 HG12 VAL 22 HG22 VAL 22 11.883 10.478 1.645 156 HG13 VAL 22 HG23 VAL 22 13.185 9.308 1.850 157 HG21 VAL 22 HG13 VAL 22 12.103 10.906 -1.170 158 HG22 VAL 22 HG11 VAL 22 13.478 12.006 -1.385 159 HG23 VAL 22 HG12 VAL 22 12.234 12.378 -0.193 160 H SER 23 H SER 23 12.961 13.689 0.689 161 HA SER 23 HA SER 23 11.764 14.654 3.002 162 HB2 SER 23 HB3 SER 23 10.428 14.428 0.308 163 HB3 SER 23 HB2 SER 23 10.166 15.663 1.530 164 HG SER 23 HG SER 23 12.531 16.103 1.170 165 HA PRO 24 HA PRO 24 9.450 12.112 5.121 166 HB2 PRO 24 HB3 PRO 24 6.791 11.802 4.344 167 HB3 PRO 24 HB2 PRO 24 7.393 13.061 5.428 168 HG2 PRO 24 HG3 PRO 24 6.955 13.169 2.460 169 HG3 PRO 24 HG2 PRO 24 6.448 14.338 3.691 170 HD2 PRO 24 HD2 PRO 24 8.599 14.874 2.301 171 HD3 PRO 24 HD3 PRO 24 8.718 15.026 4.072 172 H ALA 25 H ALA 25 9.577 9.950 5.200 173 HA ALA 25 HA ALA 25 11.031 8.800 3.310 174 HB1 ALA 25 HB1 ALA 25 9.171 7.368 5.154 175 HB2 ALA 25 HB2 ALA 25 10.883 7.727 5.384 176 HB3 ALA 25 HB3 ALA 25 10.380 6.559 4.158 177 H GLU 26 H GLU 26 10.936 7.625 1.546 178 HA GLU 26 HA GLU 26 8.354 7.580 0.250 179 HB2 GLU 26 HB2 GLU 26 10.892 8.805 -0.826 180 HB3 GLU 26 HB3 GLU 26 9.620 8.232 -1.903 181 HG2 GLU 26 HG3 GLU 26 8.041 9.735 -0.665 182 HG3 GLU 26 HG2 GLU 26 9.444 10.402 0.167 183 H LEU 27 H LEU 27 7.923 5.921 -1.028 184 HA LEU 27 HA LEU 27 9.935 3.788 -1.361 185 HB2 LEU 27 HB2 LEU 27 7.870 3.009 -0.410 186 HB3 LEU 27 HB3 LEU 27 6.919 3.908 -1.562 187 HG LEU 27 HG LEU 27 8.651 1.576 -2.389 188 HD11 LEU 27 HD11 LEU 27 6.673 0.207 -2.240 189 HD12 LEU 27 HD12 LEU 27 5.742 1.585 -1.648 190 HD13 LEU 27 HD13 LEU 27 7.042 0.905 -0.663 191 HD21 LEU 27 HD21 LEU 27 7.161 1.475 -4.312 192 HD22 LEU 27 HD22 LEU 27 7.860 3.088 -4.195 193 HD23 LEU 27 HD23 LEU 27 6.200 2.807 -3.672 194 H THR 28 H THR 28 10.474 3.169 -3.456 195 HA THR 28 HA THR 28 9.296 4.820 -5.573 196 HB THR 28 HB THR 28 12.239 4.185 -5.464 197 HG1 THR 28 HG1 THR 28 11.559 5.621 -3.738 198 HG21 THR 28 HG21 THR 28 11.418 4.616 -7.678 199 HG22 THR 28 HG22 THR 28 12.305 6.040 -7.132 200 HG23 THR 28 HG23 THR 28 10.537 6.039 -7.117 201 H TRP 29 H TRP 29 8.195 3.397 -6.720 202 HA TRP 29 HA TRP 29 9.337 0.772 -7.227 203 HB2 TRP 29 HB3 TRP 29 6.922 0.950 -6.836 204 HB3 TRP 29 HB2 TRP 29 6.769 2.013 -8.234 205 HD1 TRP 29 HD1 TRP 29 7.521 -1.662 -7.359 206 HE1 TRP 29 HE1 TRP 29 7.071 -3.099 -9.446 207 HE3 TRP 29 HE3 TRP 29 6.569 2.076 -10.699 208 HZ2 TRP 29 HZ2 TRP 29 6.403 -2.684 -12.157 209 HZ3 TRP 29 HZ3 TRP 29 6.025 1.475 -13.015 210 HH2 TRP 29 HH2 TRP 29 5.948 -0.855 -13.727 211 H ARG 30 H ARG 30 10.775 0.559 -8.683 212 HA ARG 30 HA ARG 30 10.711 2.248 -11.089 213 HB2 ARG 30 HB2 ARG 30 12.544 2.864 -9.652 214 HB3 ARG 30 HB3 ARG 30 13.028 1.192 -9.459 215 HG2 ARG 30 HG2 ARG 30 13.024 2.371 -12.173 216 HG3 ARG 30 HG3 ARG 30 14.308 2.830 -11.054 217 HD2 ARG 30 HD2 ARG 30 14.633 0.352 -10.672 218 HD3 ARG 30 HD3 ARG 30 13.584 0.106 -12.056 219 HE ARG 30 HE ARG 30 15.674 1.896 -12.721 220 HH11 ARG 30 HH11 ARG 30 15.082 -1.503 -12.152 221 HH12 ARG 30 HH12 ARG 30 16.367 -2.033 -13.191 222 HH21 ARG 30 HH21 ARG 30 17.381 1.200 -14.070 223 HH22 ARG 30 HH22 ARG 30 17.678 -0.500 -14.269 224 H SER 31 H SER 31 10.284 1.077 -12.859 225 HA SER 31 HA SER 31 9.876 -1.667 -12.827 226 HB2 SER 31 HB3 SER 31 9.869 -1.470 -15.332 227 HB3 SER 31 HB2 SER 31 8.828 -0.308 -14.510 228 HG SER 31 HG SER 31 10.529 1.230 -14.738 229 H THR 32 H THR 32 10.988 -3.385 -13.578 230 HA THR 32 HA THR 32 13.633 -3.614 -12.824 231 HB THR 32 HB THR 32 12.225 -5.390 -14.822 232 HG1 THR 32 HG1 THR 32 12.228 -5.580 -11.980 233 HG21 THR 32 HG21 THR 32 14.619 -5.862 -14.527 234 HG22 THR 32 HG22 THR 32 13.626 -7.149 -13.847 235 HG23 THR 32 HG23 THR 32 14.383 -5.965 -12.784 236 H ASP 33 H ASP 33 12.298 -2.770 -15.956 237 HA ASP 33 HA ASP 33 14.843 -2.973 -17.316 238 HB2 ASP 33 HB2 ASP 33 12.789 -3.418 -18.556 239 HB3 ASP 33 HB3 ASP 33 12.202 -1.796 -18.208 240 H GLY 34 H GLY 34 13.060 -0.567 -15.596 241 HA2 GLY 34 HA3 GLY 34 14.012 1.429 -14.783 242 HA3 GLY 34 HA2 GLY 34 15.222 1.344 -16.052 243 H ASP 35 H ASP 35 12.022 0.783 -17.055 244 HA ASP 35 HA ASP 35 12.039 3.164 -18.652 245 HB2 ASP 35 HB2 ASP 35 11.179 1.189 -19.680 246 HB3 ASP 35 HB3 ASP 35 10.052 0.943 -18.357 247 H LYS 36 H LYS 36 9.651 1.837 -16.421 248 HA LYS 36 HA LYS 36 8.659 4.564 -15.968 249 HB2 LYS 36 HB2 LYS 36 6.533 3.465 -15.305 250 HB3 LYS 36 HB3 LYS 36 7.018 3.062 -16.943 251 HG2 LYS 36 HG2 LYS 36 8.002 0.981 -16.022 252 HG3 LYS 36 HG3 LYS 36 7.230 1.360 -14.493 253 HD2 LYS 36 HD2 LYS 36 5.689 -0.022 -15.486 254 HD3 LYS 36 HD3 LYS 36 5.103 1.571 -15.949 255 HE2 LYS 36 HE2 LYS 36 6.971 -0.006 -17.683 256 HE3 LYS 36 HE3 LYS 36 5.237 -0.212 -17.753 257 HZ1 LYS 36 HZ1 LYS 36 5.715 1.322 -19.413 258 HZ2 LYS 36 HZ2 LYS 36 6.827 2.169 -18.463 259 HZ3 LYS 36 HZ3 LYS 36 5.166 2.290 -18.139 260 H VAL 37 H VAL 37 7.914 5.090 -13.873 261 HA VAL 37 HA VAL 37 9.058 3.675 -11.586 262 HB VAL 37 HB VAL 37 9.823 6.544 -12.222 263 HG11 VAL 37 HG21 VAL 37 10.576 4.798 -9.883 264 HG12 VAL 37 HG22 VAL 37 9.492 6.188 -9.838 265 HG13 VAL 37 HG23 VAL 37 11.202 6.415 -10.205 266 HG21 VAL 37 HG13 VAL 37 12.125 5.709 -12.352 267 HG22 VAL 37 HG11 VAL 37 11.096 4.972 -13.580 268 HG23 VAL 37 HG12 VAL 37 11.535 4.061 -12.135 269 H HIS 38 H HIS 38 7.915 4.065 -9.723 270 HA HIS 38 HA HIS 38 5.916 6.209 -9.696 271 HB2 HIS 38 HB3 HIS 38 5.038 3.883 -10.448 272 HB3 HIS 38 HB2 HIS 38 5.231 3.463 -8.752 273 HD1 HIS 38 HD1 HIS 38 2.971 5.126 -11.098 274 HD2 HIS 38 HD2 HIS 38 3.546 5.042 -6.983 275 HE1 HIS 38 HE1 HIS 38 0.872 6.086 -10.104 276 HE2 HIS 38 HE2 HIS 38 1.361 6.264 -7.641 277 H THR 39 H THR 39 6.444 7.380 -7.935 278 HA THR 39 HA THR 39 7.719 6.007 -5.683 279 HB THR 39 HB THR 39 7.435 8.984 -6.158 280 HG1 THR 39 HG1 THR 39 9.928 8.153 -6.517 281 HG21 THR 39 HG21 THR 39 9.214 9.201 -4.530 282 HG22 THR 39 HG22 THR 39 9.336 7.445 -4.387 283 HG23 THR 39 HG23 THR 39 7.884 8.279 -3.821 284 H VAL 40 H VAL 40 6.818 5.926 -3.642 285 HA VAL 40 HA VAL 40 4.169 7.181 -3.250 286 HB VAL 40 HB VAL 40 5.371 4.671 -2.093 287 HG11 VAL 40 HG21 VAL 40 3.245 4.488 -0.791 288 HG12 VAL 40 HG22 VAL 40 2.934 6.177 -1.195 289 HG13 VAL 40 HG23 VAL 40 4.351 5.745 -0.238 290 HG21 VAL 40 HG13 VAL 40 2.685 4.982 -3.359 291 HG22 VAL 40 HG11 VAL 40 3.652 3.520 -3.144 292 HG23 VAL 40 HG12 VAL 40 4.139 4.731 -4.338 293 H VAL 41 H VAL 41 4.006 8.731 -1.705 294 HA VAL 41 HA VAL 41 6.189 9.123 0.186 295 HB VAL 41 HB VAL 41 3.689 10.798 -0.125 296 HG11 VAL 41 HG21 VAL 41 4.717 11.089 2.037 297 HG12 VAL 41 HG22 VAL 41 5.057 12.516 1.058 298 HG13 VAL 41 HG23 VAL 41 6.304 11.293 1.301 299 HG21 VAL 41 HG13 VAL 41 5.117 12.379 -1.365 300 HG22 VAL 41 HG11 VAL 41 4.934 10.838 -2.203 301 HG23 VAL 41 HG12 VAL 41 6.424 11.195 -1.331 302 H LEU 42 H LEU 42 6.106 7.864 1.836 303 HA LEU 42 HA LEU 42 4.024 6.416 2.881 304 HB2 LEU 42 HB2 LEU 42 6.587 7.388 4.073 305 HB3 LEU 42 HB3 LEU 42 5.433 6.488 5.042 306 HG LEU 42 HG LEU 42 7.371 5.193 3.965 307 HD11 LEU 42 HD11 LEU 42 5.931 3.251 3.615 308 HD12 LEU 42 HD12 LEU 42 4.519 4.302 3.578 309 HD13 LEU 42 HD13 LEU 42 5.474 4.151 5.055 310 HD21 LEU 42 HD21 LEU 42 6.922 4.343 1.704 311 HD22 LEU 42 HD22 LEU 42 7.261 6.075 1.718 312 HD23 LEU 42 HD23 LEU 42 5.599 5.500 1.545 313 H SER 43 H SER 43 4.826 9.768 3.546 314 HA SER 43 HA SER 43 3.207 9.922 5.893 315 HB2 SER 43 HB3 SER 43 4.355 12.055 4.121 316 HB3 SER 43 HB2 SER 43 3.451 12.397 5.594 317 HG SER 43 HG SER 43 5.166 11.950 6.689 318 H THR 44 H THR 44 2.680 10.627 2.464 319 HA THR 44 HA THR 44 0.018 11.586 2.858 320 HB THR 44 HB THR 44 -0.296 11.267 0.436 321 HG1 THR 44 HG1 THR 44 1.888 9.618 0.743 322 HG21 THR 44 HG21 THR 44 0.786 13.306 1.211 323 HG22 THR 44 HG22 THR 44 1.452 12.804 -0.341 324 HG23 THR 44 HG23 THR 44 2.360 12.515 1.143 325 H ILE 45 H ILE 45 1.482 8.562 2.972 326 HA ILE 45 HA ILE 45 -0.827 6.974 2.373 327 HB ILE 45 HB ILE 45 1.796 6.271 3.676 328 HG12 ILE 45 HG13 ILE 45 2.034 7.059 1.366 329 HG13 ILE 45 HG12 ILE 45 2.394 5.350 1.495 330 HG21 ILE 45 HG21 ILE 45 1.229 3.980 3.305 331 HG22 ILE 45 HG22 ILE 45 -0.283 4.436 2.528 332 HG23 ILE 45 HG23 ILE 45 -0.049 4.741 4.249 333 HD11 ILE 45 HD11 ILE 45 0.055 4.890 0.669 334 HD12 ILE 45 HD12 ILE 45 1.139 5.658 -0.494 335 HD13 ILE 45 HD13 ILE 45 -0.081 6.620 0.344 336 H ASP 46 H ASP 46 -2.461 6.709 3.706 337 HA ASP 46 HA ASP 46 -2.350 7.347 6.499 338 HB2 ASP 46 HB2 ASP 46 -4.357 7.804 5.267 339 HB3 ASP 46 HB3 ASP 46 -4.489 6.146 4.749 340 H LYS 47 H LYS 47 -2.670 4.371 4.569 341 HA LYS 47 HA LYS 47 -1.810 2.789 6.904 342 HB2 LYS 47 HB2 LYS 47 -3.949 1.785 5.020 343 HB3 LYS 47 HB3 LYS 47 -3.465 1.119 6.569 344 HG2 LYS 47 HG2 LYS 47 -4.797 3.792 6.311 345 HG3 LYS 47 HG3 LYS 47 -5.694 2.286 6.482 346 HD2 LYS 47 HD2 LYS 47 -4.494 1.864 8.595 347 HD3 LYS 47 HD3 LYS 47 -3.696 3.428 8.430 348 HE2 LYS 47 HE2 LYS 47 -5.860 4.547 8.477 349 HE3 LYS 47 HE3 LYS 47 -6.675 2.989 8.599 350 HZ1 LYS 47 HZ1 LYS 47 -5.571 2.632 10.724 351 HZ2 LYS 47 HZ2 LYS 47 -6.501 4.043 10.747 352 HZ3 LYS 47 HZ3 LYS 47 -4.821 4.142 10.608 353 H LEU 48 H LEU 48 -0.518 0.978 6.330 354 HA LEU 48 HA LEU 48 -0.274 0.472 3.442 355 HB2 LEU 48 HB2 LEU 48 1.909 0.909 4.122 356 HB3 LEU 48 HB3 LEU 48 1.672 0.117 5.675 357 HG LEU 48 HG LEU 48 1.477 -2.057 4.368 358 HD11 LEU 48 HD11 LEU 48 1.227 -0.798 2.168 359 HD12 LEU 48 HD12 LEU 48 2.307 -2.190 2.200 360 HD13 LEU 48 HD13 LEU 48 2.972 -0.562 2.264 361 HD21 LEU 48 HD21 LEU 48 3.747 -0.522 5.193 362 HD22 LEU 48 HD22 LEU 48 4.157 -1.576 3.840 363 HD23 LEU 48 HD23 LEU 48 3.455 -2.260 5.306 364 H GLN 49 H GLN 49 -0.473 -1.564 2.729 365 HA GLN 49 HA GLN 49 -1.662 -3.518 4.580 366 HB2 GLN 49 HB2 GLN 49 -2.354 -3.099 1.680 367 HB3 GLN 49 HB3 GLN 49 -3.086 -4.272 2.756 368 HG2 GLN 49 HG2 GLN 49 -3.252 -1.300 3.161 369 HG3 GLN 49 HG3 GLN 49 -4.475 -2.255 2.326 370 HE21 GLN 49 HE21 GLN 49 -4.233 -4.533 4.092 371 HE22 GLN 49 HE22 GLN 49 -4.975 -4.082 5.585 372 H ALA 50 H ALA 50 -1.308 -5.692 4.039 373 HA ALA 50 HA ALA 50 0.449 -6.470 1.914 374 HB1 ALA 50 HB1 ALA 50 2.285 -7.267 3.341 375 HB2 ALA 50 HB2 ALA 50 1.487 -6.595 4.762 376 HB3 ALA 50 HB3 ALA 50 2.091 -5.519 3.498 377 H THR 51 H THR 51 0.296 -8.693 1.568 378 HA THR 51 HA THR 51 -2.017 -10.012 2.445 379 HB THR 51 HB THR 51 -0.956 -12.081 1.553 380 HG1 THR 51 HG1 THR 51 1.274 -10.795 1.996 381 HG21 THR 51 HG21 THR 51 -2.192 -10.796 -0.010 382 HG22 THR 51 HG22 THR 51 -0.666 -11.219 -0.800 383 HG23 THR 51 HG23 THR 51 -0.902 -9.600 -0.140 384 HA PRO 52 HA PRO 52 -0.736 -11.680 6.411 385 HB2 PRO 52 HB3 PRO 52 -3.119 -12.847 6.898 386 HB3 PRO 52 HB2 PRO 52 -2.897 -11.102 7.049 387 HG2 PRO 52 HG3 PRO 52 -4.026 -12.676 4.766 388 HG3 PRO 52 HG2 PRO 52 -4.663 -11.227 5.534 389 HD2 PRO 52 HD2 PRO 52 -3.278 -11.142 3.241 390 HD3 PRO 52 HD3 PRO 52 -3.181 -9.849 4.439 391 H ALA 53 H ALA 53 -0.616 -13.903 7.271 392 HA ALA 53 HA ALA 53 0.200 -15.855 5.447 393 HB1 ALA 53 HB1 ALA 53 0.806 -15.901 7.816 394 HB2 ALA 53 HB2 ALA 53 0.079 -17.428 7.314 395 HB3 ALA 53 HB3 ALA 53 -0.868 -16.264 8.241 396 H SER 54 H SER 54 -2.948 -15.016 6.638 397 HA SER 54 HA SER 54 -4.344 -17.346 5.834 398 HB2 SER 54 HB3 SER 54 -5.344 -14.515 6.203 399 HB3 SER 54 HB2 SER 54 -6.348 -15.957 6.120 400 HG SER 54 HG SER 54 -5.845 -15.207 8.288 401 H SER 55 H SER 55 -3.213 -14.549 4.146 402 HA SER 55 HA SER 55 -4.893 -14.859 1.837 403 HB2 SER 55 HB3 SER 55 -3.896 -12.662 2.428 404 HB3 SER 55 HB2 SER 55 -2.293 -13.339 2.177 405 HG SER 55 HG SER 55 -4.273 -12.685 0.297 406 H GLU 56 H GLU 56 -4.268 -15.675 -0.192 407 HA GLU 56 HA GLU 56 -2.339 -17.845 -0.019 408 HB2 GLU 56 HB2 GLU 56 -3.971 -17.196 -2.422 409 HB3 GLU 56 HB3 GLU 56 -3.361 -18.752 -1.900 410 HG2 GLU 56 HG3 GLU 56 -5.514 -19.030 -1.320 411 HG3 GLU 56 HG2 GLU 56 -4.959 -18.248 0.154 412 H LYS 57 H LYS 57 -2.211 -14.693 -0.712 413 HA LYS 57 HA LYS 57 -0.320 -14.967 -2.950 414 HB2 LYS 57 HB2 LYS 57 -1.722 -12.432 -2.229 415 HB3 LYS 57 HB3 LYS 57 -1.048 -12.905 -3.776 416 HG2 LYS 57 HG2 LYS 57 -3.484 -14.135 -2.520 417 HG3 LYS 57 HG3 LYS 57 -3.520 -12.876 -3.751 418 HD2 LYS 57 HD2 LYS 57 -2.316 -15.610 -4.036 419 HD3 LYS 57 HD3 LYS 57 -3.881 -15.122 -4.674 420 HE2 LYS 57 HE2 LYS 57 -2.750 -13.432 -6.067 421 HE3 LYS 57 HE3 LYS 57 -1.202 -13.976 -5.429 422 HZ1 LYS 57 HZ1 LYS 57 -1.574 -16.134 -6.408 423 HZ2 LYS 57 HZ2 LYS 57 -1.671 -14.934 -7.595 424 HZ3 LYS 57 HZ3 LYS 57 -3.082 -15.645 -6.996 425 H MET 58 H MET 58 1.177 -12.974 -3.021 426 HA MET 58 HA MET 58 1.825 -11.937 -0.347 427 HB2 MET 58 HB3 MET 58 4.109 -11.937 -2.130 428 HB3 MET 58 HB2 MET 58 4.001 -12.480 -0.475 429 HG2 MET 58 HG3 MET 58 4.799 -14.255 -1.871 430 HG3 MET 58 HG2 MET 58 3.219 -14.672 -1.244 431 HE1 MET 58 HE1 MET 58 4.477 -16.321 -3.575 432 HE2 MET 58 HE2 MET 58 3.122 -16.438 -4.699 433 HE3 MET 58 HE3 MET 58 2.845 -16.594 -2.964 434 H MET 59 H MET 59 1.159 -9.847 -0.511 435 HA MET 59 HA MET 59 2.199 -8.211 -2.652 436 HB2 MET 59 HB3 MET 59 -0.784 -8.598 -2.333 437 HB3 MET 59 HB2 MET 59 -0.040 -7.324 -3.279 438 HG2 MET 59 HG3 MET 59 1.070 -9.153 -4.626 439 HG3 MET 59 HG2 MET 59 0.002 -10.276 -3.797 440 HE1 MET 59 HE1 MET 59 -3.501 -9.407 -5.124 441 HE2 MET 59 HE2 MET 59 -2.794 -8.887 -3.598 442 HE3 MET 59 HE3 MET 59 -2.505 -10.522 -4.189 443 H LEU 60 H LEU 60 2.067 -6.024 -2.262 444 HA LEU 60 HA LEU 60 1.256 -5.207 0.456 445 HB2 LEU 60 HB2 LEU 60 3.564 -4.626 -1.220 446 HB3 LEU 60 HB3 LEU 60 2.772 -3.167 -0.660 447 HG LEU 60 HG LEU 60 2.911 -4.301 1.680 448 HD11 LEU 60 HD11 LEU 60 3.689 -6.467 0.936 449 HD12 LEU 60 HD12 LEU 60 4.906 -5.672 1.943 450 HD13 LEU 60 HD13 LEU 60 5.105 -5.717 0.189 451 HD21 LEU 60 HD21 LEU 60 4.045 -2.263 1.063 452 HD22 LEU 60 HD22 LEU 60 5.311 -3.194 0.264 453 HD23 LEU 60 HD23 LEU 60 5.103 -3.307 2.011 454 H ARG 61 H ARG 61 0.196 -3.109 0.638 455 HA ARG 61 HA ARG 61 -0.338 -1.629 -1.771 456 HB2 ARG 61 HB2 ARG 61 -2.214 -3.270 -1.652 457 HB3 ARG 61 HB3 ARG 61 -2.719 -2.517 -0.151 458 HG2 ARG 61 HG2 ARG 61 -3.034 -0.394 -1.329 459 HG3 ARG 61 HG3 ARG 61 -2.543 -1.168 -2.835 460 HD2 ARG 61 HD2 ARG 61 -4.443 -2.846 -2.272 461 HD3 ARG 61 HD3 ARG 61 -5.025 -1.562 -1.221 462 HE ARG 61 HE ARG 61 -4.480 -0.604 -3.847 463 HH11 ARG 61 HH11 ARG 61 -6.842 -2.353 -1.937 464 HH12 ARG 61 HH12 ARG 61 -8.166 -1.969 -3.002 465 HH21 ARG 61 HH21 ARG 61 -6.221 -0.085 -5.231 466 HH22 ARG 61 HH22 ARG 61 -7.810 -0.679 -4.869 467 H LEU 62 H LEU 62 0.200 0.340 -1.287 468 HA LEU 62 HA LEU 62 0.033 1.292 1.463 469 HB2 LEU 62 HB2 LEU 62 1.563 2.029 -0.983 470 HB3 LEU 62 HB3 LEU 62 1.275 3.290 0.198 471 HG LEU 62 HG LEU 62 2.398 0.643 1.043 472 HD11 LEU 62 HD11 LEU 62 4.652 1.466 0.815 473 HD12 LEU 62 HD12 LEU 62 4.056 2.985 0.132 474 HD13 LEU 62 HD13 LEU 62 3.849 1.478 -0.763 475 HD21 LEU 62 HD21 LEU 62 1.588 2.200 2.740 476 HD22 LEU 62 HD22 LEU 62 2.721 3.415 2.147 477 HD23 LEU 62 HD23 LEU 62 3.325 1.921 2.860 478 H ILE 63 H ILE 63 -1.736 2.310 2.069 479 HA ILE 63 HA ILE 63 -3.677 3.336 0.171 480 HB ILE 63 HB ILE 63 -3.938 3.583 3.149 481 HG12 ILE 63 HG13 ILE 63 -3.128 1.295 2.811 482 HG13 ILE 63 HG12 ILE 63 -4.806 1.309 3.339 483 HG21 ILE 63 HG21 ILE 63 -5.652 4.503 1.579 484 HG22 ILE 63 HG22 ILE 63 -6.272 3.364 2.770 485 HG23 ILE 63 HG23 ILE 63 -6.015 2.843 1.108 486 HD11 ILE 63 HD11 ILE 63 -5.544 0.850 1.111 487 HD12 ILE 63 HD12 ILE 63 -4.361 -0.352 1.617 488 HD13 ILE 63 HD13 ILE 63 -3.891 0.936 0.510 489 H GLY 64 H GLY 64 -3.550 5.442 -0.476 490 HA2 GLY 64 HA3 GLY 64 -2.124 7.370 1.171 491 HA3 GLY 64 HA2 GLY 64 -2.786 7.662 -0.426 492 H LYS 65 H LYS 65 -3.008 9.160 2.158 493 HA LYS 65 HA LYS 65 -5.576 8.919 3.242 494 HB2 LYS 65 HB2 LYS 65 -3.586 11.137 3.111 495 HB3 LYS 65 HB3 LYS 65 -5.225 11.511 3.612 496 HG2 LYS 65 HG2 LYS 65 -4.249 11.117 5.634 497 HG3 LYS 65 HG3 LYS 65 -4.846 9.519 5.263 498 HD2 LYS 65 HD2 LYS 65 -2.738 8.704 4.857 499 HD3 LYS 65 HD3 LYS 65 -2.091 10.280 4.443 500 HE2 LYS 65 HE2 LYS 65 -2.369 10.951 6.818 501 HE3 LYS 65 HE3 LYS 65 -2.863 9.303 7.182 502 HZ1 LYS 65 HZ1 LYS 65 -0.552 9.634 7.701 503 HZ2 LYS 65 HZ2 LYS 65 -0.221 10.149 6.126 504 HZ3 LYS 65 HZ3 LYS 65 -0.683 8.545 6.411 505 H VAL 66 H VAL 66 -7.519 9.633 2.679 506 HA VAL 66 HA VAL 66 -7.939 10.375 -0.049 507 HB VAL 66 HB VAL 66 -9.500 8.895 1.068 508 HG11 VAL 66 HG21 VAL 66 -10.149 11.254 2.827 509 HG12 VAL 66 HG22 VAL 66 -9.388 9.744 3.327 510 HG13 VAL 66 HG23 VAL 66 -11.063 9.747 2.777 511 HG21 VAL 66 HG13 VAL 66 -10.340 10.210 -0.789 512 HG22 VAL 66 HG11 VAL 66 -10.771 11.519 0.310 513 HG23 VAL 66 HG12 VAL 66 -11.606 9.969 0.415 514 H ASP 67 H ASP 67 -9.015 12.239 -0.768 515 HA ASP 67 HA ASP 67 -7.870 14.579 0.466 516 HB2 ASP 67 HB2 ASP 67 -7.809 14.188 -1.987 517 HB3 ASP 67 HB3 ASP 67 -9.559 14.373 -2.029 518 H GLU 68 H GLU 68 -8.992 14.916 2.328 519 HA GLU 68 HA GLU 68 -11.863 15.202 2.313 520 HB2 GLU 68 HB2 GLU 68 -9.772 15.475 4.436 521 HB3 GLU 68 HB3 GLU 68 -11.458 15.858 4.735 522 HG2 GLU 68 HG3 GLU 68 -10.453 13.191 3.778 523 HG3 GLU 68 HG2 GLU 68 -10.780 13.597 5.462 524 H SER 69 H SER 69 -9.385 17.222 1.419 525 HA SER 69 HA SER 69 -10.094 19.596 2.787 526 HB2 SER 69 HB3 SER 69 -8.715 20.669 0.891 527 HB3 SER 69 HB2 SER 69 -7.902 19.546 1.979 528 HG SER 69 HG SER 69 -7.395 18.509 0.233 529 H LYS 70 H LYS 70 -10.960 18.311 -0.408 530 HA LYS 70 HA LYS 70 -13.281 20.080 -0.300 531 HB2 LYS 70 HB2 LYS 70 -13.089 20.284 -2.858 532 HB3 LYS 70 HB3 LYS 70 -12.065 21.300 -1.861 533 HG2 LYS 70 HG2 LYS 70 -11.025 18.699 -2.904 534 HG3 LYS 70 HG3 LYS 70 -11.080 20.121 -3.943 535 HD2 LYS 70 HD2 LYS 70 -9.829 21.347 -2.120 536 HD3 LYS 70 HD3 LYS 70 -9.588 19.780 -1.352 537 HE2 LYS 70 HE2 LYS 70 -8.623 20.646 -4.072 538 HE3 LYS 70 HE3 LYS 70 -7.639 20.329 -2.645 539 HZ1 LYS 70 HZ1 LYS 70 -8.547 17.992 -2.758 540 HZ2 LYS 70 HZ2 LYS 70 -7.465 18.435 -3.983 541 HZ3 LYS 70 HZ3 LYS 70 -9.122 18.383 -4.304 542 H LYS 71 H LYS 71 -14.768 18.620 0.116 543 HA LYS 71 HA LYS 71 -14.911 16.007 -0.684 544 HB2 LYS 71 HB2 LYS 71 -17.271 16.103 -0.125 545 HB3 LYS 71 HB3 LYS 71 -16.295 16.934 1.073 546 HG2 LYS 71 HG2 LYS 71 -16.840 19.070 -0.014 547 HG3 LYS 71 HG3 LYS 71 -17.896 18.178 -1.104 548 HD2 LYS 71 HD2 LYS 71 -18.152 18.093 1.875 549 HD3 LYS 71 HD3 LYS 71 -19.032 19.251 0.877 550 HE2 LYS 71 HE2 LYS 71 -20.002 17.303 -0.354 551 HE3 LYS 71 HE3 LYS 71 -19.221 16.249 0.822 552 HZ1 LYS 71 HZ1 LYS 71 -21.531 16.662 1.403 553 HZ2 LYS 71 HZ2 LYS 71 -21.236 18.331 1.456 554 HZ3 LYS 71 HZ3 LYS 71 -20.493 17.311 2.574 555 H ARG 72 H ARG 72 -15.748 14.932 -2.385 556 HA ARG 72 HA ARG 72 -15.937 16.463 -4.836 557 HB2 ARG 72 HB2 ARG 72 -15.244 14.577 -5.885 558 HB3 ARG 72 HB3 ARG 72 -14.790 14.057 -4.271 559 HG2 ARG 72 HG2 ARG 72 -16.687 12.707 -4.059 560 HG3 ARG 72 HG3 ARG 72 -17.480 13.460 -5.440 561 HD2 ARG 72 HD2 ARG 72 -15.033 11.702 -5.519 562 HD3 ARG 72 HD3 ARG 72 -16.654 11.257 -6.037 563 HE ARG 72 HE ARG 72 -15.761 13.545 -7.444 564 HH11 ARG 72 HH11 ARG 72 -15.342 10.078 -7.249 565 HH12 ARG 72 HH12 ARG 72 -14.794 9.917 -8.888 566 HH21 ARG 72 HH21 ARG 72 -15.024 13.348 -9.612 567 HH22 ARG 72 HH22 ARG 72 -14.622 11.780 -10.235 568 H LYS 73 H LYS 73 -17.633 15.651 -6.430 569 HA LYS 73 HA LYS 73 -20.185 15.050 -5.190 570 HB2 LYS 73 HB2 LYS 73 -20.909 16.976 -6.995 571 HB3 LYS 73 HB3 LYS 73 -20.840 17.179 -5.253 572 HG2 LYS 73 HG2 LYS 73 -19.677 18.981 -6.188 573 HG3 LYS 73 HG3 LYS 73 -18.459 17.901 -5.530 574 HD2 LYS 73 HD2 LYS 73 -18.363 16.923 -7.912 575 HD3 LYS 73 HD3 LYS 73 -19.172 18.417 -8.394 576 HE2 LYS 73 HE2 LYS 73 -17.361 19.710 -7.357 577 HE3 LYS 73 HE3 LYS 73 -16.561 18.201 -6.907 578 HZ1 LYS 73 HZ1 LYS 73 -17.103 19.144 -9.668 579 HZ2 LYS 73 HZ2 LYS 73 -16.407 17.657 -9.274 580 HZ3 LYS 73 HZ3 LYS 73 -15.594 19.092 -8.906 581 H ASP 74 H ASP 74 -21.882 14.604 -6.952 582 HA ASP 74 HA ASP 74 -20.499 12.915 -8.872 583 HB2 ASP 74 HB2 ASP 74 -22.535 12.288 -7.321 584 HB3 ASP 74 HB3 ASP 74 -23.466 12.979 -8.641 585 H ASN 75 H ASN 75 -22.522 12.779 -10.838 586 HA ASN 75 HA ASN 75 -21.502 14.633 -12.627 587 HB2 ASN 75 HB2 ASN 75 -24.131 13.164 -12.760 588 HB3 ASN 75 HB3 ASN 75 -23.363 13.994 -14.108 589 HD21 ASN 75 HD21 ASN 75 -24.062 11.179 -13.770 590 HD22 ASN 75 HD22 ASN 75 -22.589 10.302 -13.995 591 H GLU 76 H GLU 76 -24.204 15.028 -10.432 592 HA GLU 76 HA GLU 76 -25.062 17.415 -11.923 593 HB2 GLU 76 HB2 GLU 76 -26.482 15.809 -9.803 594 HB3 GLU 76 HB3 GLU 76 -27.126 17.255 -10.563 595 HG2 GLU 76 HG3 GLU 76 -26.317 14.794 -12.063 596 HG3 GLU 76 HG2 GLU 76 -27.965 15.100 -11.506 597 H GLY 77 H GLY 77 -22.948 16.725 -9.732 598 HA2 GLY 77 HA3 GLY 77 -21.766 18.142 -8.316 599 HA3 GLY 77 HA2 GLY 77 -22.973 19.385 -8.616 600 H ASN 78 H ASN 78 -23.660 16.153 -7.471 601 HA ASN 78 HA ASN 78 -25.232 17.128 -5.325 602 HB2 ASN 78 HB2 ASN 78 -24.290 14.359 -5.997 603 HB3 ASN 78 HB3 ASN 78 -25.463 14.712 -4.731 604 HD21 ASN 78 HD21 ASN 78 -24.866 14.167 -8.002 605 HD22 ASN 78 HD22 ASN 78 -26.472 14.357 -8.579 606 H GLU 79 H GLU 79 -23.083 14.491 -4.656 607 HA GLU 79 HA GLU 79 -20.867 15.638 -3.566 608 HB2 GLU 79 HB2 GLU 79 -21.225 15.674 -1.163 609 HB3 GLU 79 HB3 GLU 79 -22.267 16.835 -1.969 610 HG2 GLU 79 HG3 GLU 79 -24.141 15.312 -1.731 611 HG3 GLU 79 HG2 GLU 79 -23.068 14.133 -0.979 612 H VAL 80 H VAL 80 -19.474 14.042 -3.417 613 HA VAL 80 HA VAL 80 -20.412 11.427 -2.410 614 HB VAL 80 HB VAL 80 -18.136 11.539 -4.332 615 HG11 VAL 80 HG21 VAL 80 -20.256 9.474 -3.773 616 HG12 VAL 80 HG22 VAL 80 -18.605 9.475 -3.157 617 HG13 VAL 80 HG23 VAL 80 -18.900 9.281 -4.885 618 HG21 VAL 80 HG13 VAL 80 -19.855 12.774 -5.525 619 HG22 VAL 80 HG11 VAL 80 -21.031 11.501 -5.193 620 HG23 VAL 80 HG12 VAL 80 -19.651 11.175 -6.242 621 H VAL 81 H VAL 81 -18.904 10.326 -1.117 622 HA VAL 81 HA VAL 81 -16.550 11.912 -0.396 623 HB VAL 81 HB VAL 81 -17.879 11.734 1.558 624 HG11 VAL 81 HG21 VAL 81 -18.107 8.778 1.029 625 HG12 VAL 81 HG22 VAL 81 -19.390 9.974 0.857 626 HG13 VAL 81 HG23 VAL 81 -18.726 9.616 2.451 627 HG21 VAL 81 HG13 VAL 81 -16.499 10.418 3.089 628 HG22 VAL 81 HG11 VAL 81 -15.509 11.324 1.943 629 HG23 VAL 81 HG12 VAL 81 -15.762 9.594 1.715 630 HA PRO 82 HA PRO 82 -14.621 8.760 -2.974 631 HB2 PRO 82 HB3 PRO 82 -12.306 10.319 -1.970 632 HB3 PRO 82 HB2 PRO 82 -12.692 9.805 -3.607 633 HG2 PRO 82 HG3 PRO 82 -13.056 12.288 -2.846 634 HG3 PRO 82 HG2 PRO 82 -14.164 11.506 -3.952 635 HD2 PRO 82 HD2 PRO 82 -14.542 12.223 -1.140 636 HD3 PRO 82 HD3 PRO 82 -15.731 12.063 -2.436 637 H LYS 83 H LYS 83 -13.789 6.818 -2.451 638 HA LYS 83 HA LYS 83 -12.731 6.353 0.192 639 HB2 LYS 83 HB2 LYS 83 -13.801 4.454 -0.450 640 HB3 LYS 83 HB3 LYS 83 -13.424 4.660 -2.152 641 HG2 LYS 83 HG2 LYS 83 -11.175 4.001 -0.344 642 HG3 LYS 83 HG3 LYS 83 -12.377 2.740 -0.611 643 HD2 LYS 83 HD2 LYS 83 -10.927 4.223 -2.805 644 HD3 LYS 83 HD3 LYS 83 -10.450 2.643 -2.183 645 HE2 LYS 83 HE2 LYS 83 -13.094 3.301 -3.486 646 HE3 LYS 83 HE3 LYS 83 -11.752 2.462 -4.256 647 HZ1 LYS 83 HZ1 LYS 83 -11.981 0.681 -2.650 648 HZ2 LYS 83 HZ2 LYS 83 -13.442 0.925 -3.465 649 HZ3 LYS 83 HZ3 LYS 83 -13.255 1.488 -1.877 650 HA PRO 84 HA PRO 84 -8.715 7.767 -0.553 651 HB2 PRO 84 HB3 PRO 84 -7.665 5.557 1.046 652 HB3 PRO 84 HB2 PRO 84 -7.604 7.296 1.331 653 HG2 PRO 84 HG3 PRO 84 -9.196 5.530 2.709 654 HG3 PRO 84 HG2 PRO 84 -9.472 7.276 2.585 655 HD2 PRO 84 HD2 PRO 84 -10.951 5.068 1.328 656 HD3 PRO 84 HD3 PRO 84 -11.426 6.756 1.571 657 H GLN 85 H GLN 85 -7.295 7.471 -2.139 658 HA GLN 85 HA GLN 85 -7.357 5.026 -3.638 659 HB2 GLN 85 HB2 GLN 85 -6.235 6.139 -5.326 660 HB3 GLN 85 HB3 GLN 85 -7.097 7.459 -4.548 661 HG2 GLN 85 HG2 GLN 85 -4.234 6.717 -4.063 662 HG3 GLN 85 HG3 GLN 85 -4.786 8.034 -5.095 663 HE21 GLN 85 HE21 GLN 85 -3.103 8.035 -2.705 664 HE22 GLN 85 HE22 GLN 85 -3.875 9.086 -1.584 665 H ARG 86 H ARG 86 -5.392 3.906 -4.234 666 HA ARG 86 HA ARG 86 -3.556 3.696 -1.982 667 HB2 ARG 86 HB2 ARG 86 -4.920 1.207 -2.969 668 HB3 ARG 86 HB3 ARG 86 -4.147 1.509 -1.410 669 HG2 ARG 86 HG2 ARG 86 -5.987 2.936 -0.752 670 HG3 ARG 86 HG3 ARG 86 -6.741 2.741 -2.326 671 HD2 ARG 86 HD2 ARG 86 -7.259 0.492 -1.928 672 HD3 ARG 86 HD3 ARG 86 -6.157 0.389 -0.559 673 HE ARG 86 HE ARG 86 -8.361 2.258 -0.283 674 HH11 ARG 86 HH11 ARG 86 -7.182 -0.988 0.325 675 HH12 ARG 86 HH12 ARG 86 -8.257 -1.260 1.656 676 HH21 ARG 86 HH21 ARG 86 -9.779 1.885 1.480 677 HH22 ARG 86 HH22 ARG 86 -9.723 0.367 2.317 678 H HIS 87 H HIS 87 -1.709 2.425 -2.431 679 HA HIS 87 HA HIS 87 -1.207 2.050 -5.313 680 HB2 HIS 87 HB3 HIS 87 0.839 2.626 -3.160 681 HB3 HIS 87 HB2 HIS 87 1.089 2.677 -4.895 682 HD1 HIS 87 HD1 HIS 87 -0.707 4.591 -6.055 683 HD2 HIS 87 HD2 HIS 87 0.548 5.082 -2.131 684 HE1 HIS 87 HE1 HIS 87 -1.135 7.004 -5.504 685 HE2 HIS 87 HE2 HIS 87 -0.194 7.317 -3.190 686 H MET 88 H MET 88 -1.219 -0.073 -5.770 687 HA MET 88 HA MET 88 -0.479 -1.942 -3.631 688 HB2 MET 88 HB3 MET 88 -2.740 -2.247 -4.540 689 HB3 MET 88 HB2 MET 88 -2.066 -2.453 -6.151 690 HG2 MET 88 HG3 MET 88 -0.836 -4.437 -5.333 691 HG3 MET 88 HG2 MET 88 -1.646 -4.258 -3.783 692 HE1 MET 88 HE1 MET 88 -4.133 -4.569 -3.360 693 HE2 MET 88 HE2 MET 88 -5.323 -5.100 -4.545 694 HE3 MET 88 HE3 MET 88 -4.675 -3.462 -4.621 695 H PHE 89 H PHE 89 1.295 -3.135 -3.778 696 HA PHE 89 HA PHE 89 2.506 -3.441 -6.425 697 HB2 PHE 89 HB3 PHE 89 3.945 -3.117 -3.793 698 HB3 PHE 89 HB2 PHE 89 4.712 -3.398 -5.354 699 HD1 PHE 89 HD1 PHE 89 2.878 -1.002 -3.311 700 HD2 PHE 89 HD2 PHE 89 4.929 -1.636 -6.966 701 HE1 PHE 89 HE1 PHE 89 2.938 1.436 -3.692 702 HE2 PHE 89 HE2 PHE 89 4.981 0.789 -7.365 703 HZ PHE 89 HZ PHE 89 3.987 2.328 -5.724 704 H SER 90 H SER 90 2.675 -5.483 -7.033 705 HA SER 90 HA SER 90 1.935 -7.529 -5.119 706 HB2 SER 90 HB3 SER 90 2.289 -7.700 -8.118 707 HB3 SER 90 HB2 SER 90 1.563 -8.928 -7.087 708 HG SER 90 HG SER 90 -0.131 -7.544 -6.652 709 H PHE 91 H PHE 91 3.311 -8.904 -4.262 710 HA PHE 91 HA PHE 91 5.994 -9.127 -5.444 711 HB2 PHE 91 HB3 PHE 91 5.000 -9.398 -2.621 712 HB3 PHE 91 HB2 PHE 91 6.481 -10.215 -3.115 713 HD1 PHE 91 HD2 PHE 91 8.170 -8.688 -4.438 714 HD2 PHE 91 HD1 PHE 91 5.192 -7.267 -1.760 715 HE1 PHE 91 HE2 PHE 91 9.453 -6.617 -4.123 716 HE2 PHE 91 HE1 PHE 91 6.476 -5.197 -1.438 717 HZ PHE 91 HZ PHE 91 8.602 -4.863 -2.624 718 H ASN 92 H ASN 92 7.015 -11.347 -4.803 719 HA ASN 92 HA ASN 92 5.105 -13.432 -5.627 720 HB2 ASN 92 HB2 ASN 92 7.980 -12.986 -6.435 721 HB3 ASN 92 HB3 ASN 92 7.125 -14.494 -6.740 722 HD21 ASN 92 HD21 ASN 92 8.268 -12.466 -8.572 723 HD22 ASN 92 HD22 ASN 92 6.968 -12.020 -9.618 724 H ASN 93 H ASN 93 6.893 -12.308 -3.166 725 HA ASN 93 HA ASN 93 6.997 -14.936 -1.896 726 HB2 ASN 93 HB2 ASN 93 9.257 -14.495 -2.766 727 HB3 ASN 93 HB3 ASN 93 9.284 -12.952 -1.936 728 HD21 ASN 93 HD21 ASN 93 9.296 -16.423 -1.484 729 HD22 ASN 93 HD22 ASN 93 9.962 -16.394 0.111 730 H ARG 94 H ARG 94 6.323 -14.916 0.160 731 HA ARG 94 HA ARG 94 5.092 -12.500 1.053 732 HB2 ARG 94 HB2 ARG 94 4.306 -14.988 1.326 733 HB3 ARG 94 HB3 ARG 94 5.263 -14.916 2.795 734 HG2 ARG 94 HG2 ARG 94 3.320 -12.737 2.288 735 HG3 ARG 94 HG3 ARG 94 2.694 -14.316 2.769 736 HD2 ARG 94 HD2 ARG 94 3.896 -14.261 4.798 737 HD3 ARG 94 HD3 ARG 94 4.867 -12.892 4.261 738 HE ARG 94 HE ARG 94 2.074 -12.277 4.335 739 HH11 ARG 94 HH11 ARG 94 4.913 -12.608 6.337 740 HH12 ARG 94 HH12 ARG 94 4.383 -11.441 7.507 741 HH21 ARG 94 HH21 ARG 94 1.358 -10.756 5.871 742 HH22 ARG 94 HH22 ARG 94 2.346 -10.401 7.255 743 H THR 95 H THR 95 8.085 -14.099 1.727 744 HA THR 95 HA THR 95 8.570 -12.756 4.200 745 HB THR 95 HB THR 95 10.552 -13.919 2.235 746 HG1 THR 95 HG1 THR 95 9.081 -15.450 3.176 747 HG21 THR 95 HG21 THR 95 10.885 -13.086 5.114 748 HG22 THR 95 HG22 THR 95 11.556 -12.260 3.708 749 HG23 THR 95 HG23 THR 95 12.110 -13.883 4.125 750 H VAL 96 H VAL 96 9.858 -12.227 0.915 751 HA VAL 96 HA VAL 96 11.059 -9.796 1.110 752 HB VAL 96 HB VAL 96 9.138 -10.626 -1.090 753 HG11 VAL 96 HG21 VAL 96 10.412 -9.031 -2.493 754 HG12 VAL 96 HG22 VAL 96 11.292 -8.498 -1.061 755 HG13 VAL 96 HG23 VAL 96 9.549 -8.236 -1.173 756 HG21 VAL 96 HG13 VAL 96 12.146 -10.912 -0.913 757 HG22 VAL 96 HG11 VAL 96 11.129 -11.398 -2.269 758 HG23 VAL 96 HG12 VAL 96 10.980 -12.219 -0.716 759 H MET 97 H MET 97 7.596 -10.237 0.377 760 HA MET 97 HA MET 97 7.038 -7.482 0.547 761 HB2 MET 97 HB3 MET 97 4.742 -8.066 0.357 762 HB3 MET 97 HB2 MET 97 5.673 -9.182 -0.635 763 HG2 MET 97 HG3 MET 97 4.602 -10.829 0.330 764 HG3 MET 97 HG2 MET 97 5.427 -10.429 1.842 765 HE1 MET 97 HE1 MET 97 2.777 -9.046 4.063 766 HE2 MET 97 HE2 MET 97 4.283 -8.355 3.458 767 HE3 MET 97 HE3 MET 97 4.208 -10.063 3.890 768 H ASP 98 H ASP 98 7.169 -9.982 3.017 769 HA ASP 98 HA ASP 98 5.898 -8.444 5.060 770 HB2 ASP 98 HB2 ASP 98 6.258 -10.886 5.267 771 HB3 ASP 98 HB3 ASP 98 7.998 -10.613 5.338 772 H ASN 99 H ASN 99 9.059 -8.591 3.705 773 HA ASN 99 HA ASN 99 10.409 -7.153 5.792 774 HB2 ASN 99 HB2 ASN 99 11.191 -7.827 2.946 775 HB3 ASN 99 HB3 ASN 99 12.265 -7.057 4.100 776 HD21 ASN 99 HD21 ASN 99 12.265 -9.703 2.671 777 HD22 ASN 99 HD22 ASN 99 12.529 -10.848 3.933 778 H ILE 100 H ILE 100 9.302 -6.427 2.539 779 HA ILE 100 HA ILE 100 9.883 -3.669 2.463 780 HB ILE 100 HB ILE 100 7.677 -5.289 1.149 781 HG12 ILE 100 HG13 ILE 100 10.046 -5.902 0.642 782 HG13 ILE 100 HG12 ILE 100 9.128 -5.366 -0.762 783 HG21 ILE 100 HG21 ILE 100 8.657 -2.561 0.353 784 HG22 ILE 100 HG22 ILE 100 7.176 -2.847 1.256 785 HG23 ILE 100 HG23 ILE 100 7.349 -3.478 -0.383 786 HD11 ILE 100 HD11 ILE 100 11.173 -3.814 0.789 787 HD12 ILE 100 HD12 ILE 100 10.130 -3.105 -0.444 788 HD13 ILE 100 HD13 ILE 100 11.278 -4.378 -0.880 789 H LYS 101 H LYS 101 6.875 -5.397 3.311 790 HA LYS 101 HA LYS 101 5.306 -3.212 3.956 791 HB2 LYS 101 HB2 LYS 101 4.088 -5.146 3.822 792 HB3 LYS 101 HB3 LYS 101 5.291 -6.100 4.687 793 HG2 LYS 101 HG2 LYS 101 4.284 -4.239 6.537 794 HG3 LYS 101 HG3 LYS 101 2.893 -4.871 5.657 795 HD2 LYS 101 HD2 LYS 101 3.025 -6.505 7.227 796 HD3 LYS 101 HD3 LYS 101 4.203 -7.169 6.097 797 HE2 LYS 101 HE2 LYS 101 6.033 -6.130 7.378 798 HE3 LYS 101 HE3 LYS 101 4.842 -5.437 8.486 799 HZ1 LYS 101 HZ1 LYS 101 5.371 -8.339 8.082 800 HZ2 LYS 101 HZ2 LYS 101 4.161 -7.705 9.084 801 HZ3 LYS 101 HZ3 LYS 101 5.787 -7.413 9.440 802 H MET 102 H MET 102 7.356 -5.186 6.143 803 HA MET 102 HA MET 102 6.640 -3.828 8.493 804 HB2 MET 102 HB3 MET 102 8.395 -4.954 9.580 805 HB3 MET 102 HB2 MET 102 7.928 -6.047 8.282 806 HG2 MET 102 HG3 MET 102 9.791 -5.504 7.003 807 HG3 MET 102 HG2 MET 102 10.130 -4.077 7.959 808 HE1 MET 102 HE1 MET 102 10.989 -8.425 9.140 809 HE2 MET 102 HE2 MET 102 10.804 -7.854 7.484 810 HE3 MET 102 HE3 MET 102 9.423 -7.839 8.579 811 H THR 103 H THR 103 8.960 -3.161 6.010 812 HA THR 103 HA THR 103 10.512 -1.217 7.310 813 HB THR 103 HB THR 103 9.848 -1.625 4.387 814 HG1 THR 103 HG1 THR 103 11.082 -3.316 5.042 815 HG21 THR 103 HG21 THR 103 11.974 0.102 5.608 816 HG22 THR 103 HG22 THR 103 10.518 0.668 4.775 817 HG23 THR 103 HG23 THR 103 11.760 -0.237 3.886 818 H LEU 104 H LEU 104 7.719 -0.956 5.151 819 HA LEU 104 HA LEU 104 7.579 1.862 5.271 820 HB2 LEU 104 HB2 LEU 104 5.409 -0.125 4.589 821 HB3 LEU 104 HB3 LEU 104 5.371 1.580 4.238 822 HG LEU 104 HG LEU 104 7.564 -0.093 3.097 823 HD11 LEU 104 HD11 LEU 104 5.657 -1.372 2.524 824 HD12 LEU 104 HD12 LEU 104 6.125 -0.434 1.107 825 HD13 LEU 104 HD13 LEU 104 4.756 0.076 2.091 826 HD21 LEU 104 HD21 LEU 104 6.038 2.243 2.036 827 HD22 LEU 104 HD22 LEU 104 7.487 1.517 1.332 828 HD23 LEU 104 HD23 LEU 104 7.583 2.356 2.879 829 H GLN 105 H GLN 105 5.488 -0.604 6.702 830 HA GLN 105 HA GLN 105 3.803 0.815 8.240 831 HB2 GLN 105 HB2 GLN 105 5.252 -1.620 9.211 832 HB3 GLN 105 HB3 GLN 105 3.730 -1.004 9.835 833 HG2 GLN 105 HG2 GLN 105 4.142 -1.859 7.003 834 HG3 GLN 105 HG3 GLN 105 3.565 -2.903 8.269 835 HE21 GLN 105 HE21 GLN 105 1.715 -3.246 7.020 836 HE22 GLN 105 HE22 GLN 105 0.441 -2.079 6.957 837 H GLN 106 H GLN 106 7.210 0.272 8.973 838 HA GLN 106 HA GLN 106 7.120 1.186 11.659 839 HB2 GLN 106 HB2 GLN 106 9.241 0.659 9.650 840 HB3 GLN 106 HB3 GLN 106 9.646 1.477 11.132 841 HG2 GLN 106 HG2 GLN 106 8.907 -0.403 12.435 842 HG3 GLN 106 HG3 GLN 106 8.317 -1.208 10.981 843 HE21 GLN 106 HE21 GLN 106 9.617 -2.998 11.296 844 HE22 GLN 106 HE22 GLN 106 11.329 -2.957 11.059 845 H ILE 107 H ILE 107 7.695 2.568 8.557 846 HA ILE 107 HA ILE 107 8.391 5.210 9.372 847 HB ILE 107 HB ILE 107 7.263 4.111 6.782 848 HG12 ILE 107 HG13 ILE 107 10.114 4.870 7.363 849 HG13 ILE 107 HG12 ILE 107 9.510 3.235 7.576 850 HG21 ILE 107 HG21 ILE 107 6.880 6.517 7.053 851 HG22 ILE 107 HG22 ILE 107 7.965 6.132 5.723 852 HG23 ILE 107 HG23 ILE 107 8.620 6.753 7.239 853 HD11 ILE 107 HD11 ILE 107 8.985 3.111 5.221 854 HD12 ILE 107 HD12 ILE 107 10.675 3.550 5.453 855 HD13 ILE 107 HD13 ILE 107 9.498 4.782 4.999 856 H ILE 108 H ILE 108 5.428 3.558 8.377 857 HA ILE 108 HA ILE 108 3.781 5.860 8.252 858 HB ILE 108 HB ILE 108 2.807 3.079 8.903 859 HG12 ILE 108 HG13 ILE 108 4.271 4.055 6.561 860 HG13 ILE 108 HG12 ILE 108 4.041 2.416 7.118 861 HG21 ILE 108 HG21 ILE 108 1.627 5.345 7.299 862 HG22 ILE 108 HG22 ILE 108 1.118 4.806 8.897 863 HG23 ILE 108 HG23 ILE 108 0.894 3.751 7.504 864 HD11 ILE 108 HD11 ILE 108 3.064 2.525 5.006 865 HD12 ILE 108 HD12 ILE 108 2.263 4.058 5.359 866 HD13 ILE 108 HD13 ILE 108 1.709 2.571 6.141 867 H SER 109 H SER 109 4.127 3.375 10.761 868 HA SER 109 HA SER 109 2.558 4.560 12.748 869 HB2 SER 109 HB3 SER 109 3.408 2.245 12.873 870 HB3 SER 109 HB2 SER 109 5.046 2.858 13.079 871 HG SER 109 HG SER 109 2.957 2.704 14.888 872 H ARG 110 H ARG 110 5.746 5.222 11.616 873 HA ARG 110 HA ARG 110 6.663 6.814 13.763 874 HB2 ARG 110 HB2 ARG 110 8.458 6.225 12.468 875 HB3 ARG 110 HB3 ARG 110 7.491 6.142 11.027 876 HG2 ARG 110 HG2 ARG 110 7.541 8.490 10.776 877 HG3 ARG 110 HG3 ARG 110 8.480 8.673 12.264 878 HD2 ARG 110 HD2 ARG 110 10.231 7.256 11.253 879 HD3 ARG 110 HD3 ARG 110 9.304 7.215 9.763 880 HE ARG 110 HE ARG 110 9.792 9.892 10.571 881 HH11 ARG 110 HH11 ARG 110 11.367 7.120 9.129 882 HH12 ARG 110 HH12 ARG 110 12.517 8.074 8.247 883 HH21 ARG 110 HH21 ARG 110 11.301 11.149 9.418 884 HH22 ARG 110 HH22 ARG 110 12.483 10.365 8.414 885 H TYR 111 H TYR 111 4.843 7.413 10.811 886 HA TYR 111 HA TYR 111 5.017 10.263 11.194 887 HB2 TYR 111 HB3 TYR 111 4.089 8.506 8.996 888 HB3 TYR 111 HB2 TYR 111 3.497 10.160 9.056 889 HD1 TYR 111 HD2 TYR 111 5.309 12.024 9.296 890 HD2 TYR 111 HD1 TYR 111 6.119 8.058 8.077 891 HE1 TYR 111 HE2 TYR 111 7.435 12.777 8.308 892 HE2 TYR 111 HE1 TYR 111 8.250 8.778 7.076 893 HH TYR 111 HH TYR 111 9.592 11.863 7.665 894 H LYS 112 H LYS 112 2.846 7.710 11.870 895 HA LYS 112 HA LYS 112 0.531 9.371 12.237 896 HB2 LYS 112 HB2 LYS 112 1.179 6.574 13.195 897 HB3 LYS 112 HB3 LYS 112 -0.370 7.370 13.454 898 HG2 LYS 112 HG2 LYS 112 -1.036 7.031 11.343 899 HG3 LYS 112 HG3 LYS 112 0.567 7.380 10.684 900 HD2 LYS 112 HD2 LYS 112 0.059 5.077 10.256 901 HD3 LYS 112 HD3 LYS 112 1.312 5.158 11.477 902 HE2 LYS 112 HE2 LYS 112 -0.206 3.506 12.164 903 HE3 LYS 112 HE3 LYS 112 -0.479 4.899 13.202 904 HZ1 LYS 112 HZ1 LYS 112 -2.562 3.945 12.488 905 HZ2 LYS 112 HZ2 LYS 112 -2.132 4.113 10.863 906 HZ3 LYS 112 HZ3 LYS 112 -2.386 5.486 11.819 907 H ASP 113 H ASP 113 3.294 8.459 14.085 908 HA ASP 113 HA ASP 113 2.385 9.355 16.618 909 HB2 ASP 113 HB2 ASP 113 4.354 7.942 16.460 910 HB3 ASP 113 HB3 ASP 113 5.175 9.142 15.467 911 H ALA 114 H ALA 114 3.462 10.890 13.761 912 HA ALA 114 HA ALA 114 3.583 13.493 15.146 913 HB1 ALA 114 HB1 ALA 114 4.996 12.689 12.605 914 HB2 ALA 114 HB2 ALA 114 5.742 12.810 14.199 915 HB3 ALA 114 HB3 ALA 114 5.106 14.254 13.411 916 H ASP 115 H ASP 115 1.267 12.065 14.032 917 HA ASP 115 HA ASP 115 0.548 13.727 11.736 918 HB2 ASP 115 HB2 ASP 115 0.129 11.346 11.474 919 HB3 ASP 115 HB3 ASP 115 -0.820 11.321 12.952 920 H1 GLY 242 H1 GLY 242 -20.750 -8.855 -5.112 921 H2 GLY 242 H2 GLY 242 -19.198 -8.401 -4.611 922 H3 GLY 242 H3 GLY 242 -19.921 -7.638 -5.939 923 HA2 GLY 242 HA2 GLY 242 -20.891 -7.494 -3.144 924 HA3 GLY 242 HA3 GLY 242 -19.983 -6.235 -3.969 925 H GLY 243 H GLY 243 -21.551 -4.687 -3.877 926 HA2 GLY 243 HA3 GLY 243 -23.175 -3.573 -5.217 927 HA3 GLY 243 HA2 GLY 243 -23.842 -5.139 -5.656 928 H GLY 244 H GLY 244 -25.590 -3.272 -4.891 929 HA2 GLY 244 HA3 GLY 244 -26.425 -4.250 -2.246 930 HA3 GLY 244 HA2 GLY 244 -26.415 -2.522 -2.572 931 H GLY 245 H GLY 245 -28.717 -3.879 -1.800 932 HA2 GLY 245 HA3 GLY 245 -30.895 -3.230 -2.671 933 HA3 GLY 245 HA2 GLY 245 -30.307 -3.625 -4.279 934 H TYR 246 H TYR 246 -29.385 -5.781 -1.782 935 HA TYR 246 HA TYR 246 -31.657 -7.534 -2.245 936 HB2 TYR 246 HB3 TYR 246 -30.243 -9.453 -2.877 937 HB3 TYR 246 HB2 TYR 246 -30.159 -8.157 -4.058 938 HD1 TYR 246 HD2 TYR 246 -28.100 -6.658 -4.053 939 HD2 TYR 246 HD1 TYR 246 -28.306 -10.298 -1.861 940 HE1 TYR 246 HE2 TYR 246 -25.646 -6.714 -3.925 941 HE2 TYR 246 HE1 TYR 246 -25.853 -10.367 -1.731 942 HH TYR 246 HH TYR 246 -23.909 -9.466 -2.909 943 H ASP 247 H ASP 247 -31.282 -9.651 -0.930 944 HA ASP 247 HA ASP 247 -30.967 -8.775 1.773 945 HB2 ASP 247 HB2 ASP 247 -31.631 -11.460 0.564 946 HB3 ASP 247 HB3 ASP 247 -31.488 -11.203 2.299 947 H VAL 248 H VAL 248 -29.493 -9.414 3.264 948 HA VAL 248 HA VAL 248 -27.347 -9.512 3.951 949 HB VAL 248 HB VAL 248 -28.128 -11.858 4.155 950 HG11 VAL 248 HG21 VAL 248 -27.249 -13.579 2.654 951 HG12 VAL 248 HG22 VAL 248 -26.645 -12.319 1.580 952 HG13 VAL 248 HG23 VAL 248 -28.379 -12.494 1.844 953 HG21 VAL 248 HG13 VAL 248 -26.036 -11.200 5.142 954 HG22 VAL 248 HG11 VAL 248 -25.190 -11.490 3.622 955 HG23 VAL 248 HG12 VAL 248 -25.902 -12.839 4.505 956 H GLU 249 H GLU 249 -27.563 -8.014 1.679 957 HA GLU 249 HA GLU 249 -25.674 -8.536 -0.303 958 HB2 GLU 249 HB2 GLU 249 -25.620 -6.068 -0.636 959 HB3 GLU 249 HB3 GLU 249 -27.240 -6.746 -0.592 960 HG2 GLU 249 HG3 GLU 249 -27.422 -6.018 1.770 961 HG3 GLU 249 HG2 GLU 249 -25.853 -5.232 1.606 962 H MET 250 H MET 250 -23.619 -7.288 -0.624 963 HA MET 250 HA MET 250 -22.083 -7.226 1.888 964 HB2 MET 250 HB3 MET 250 -21.278 -8.493 -0.736 965 HB3 MET 250 HB2 MET 250 -20.146 -8.159 0.566 966 HG2 MET 250 HG3 MET 250 -21.467 -9.616 2.050 967 HG3 MET 250 HG2 MET 250 -22.524 -9.996 0.692 968 HE1 MET 250 HE1 MET 250 -22.063 -12.605 1.157 969 HE2 MET 250 HE2 MET 250 -20.995 -12.165 2.489 970 HE3 MET 250 HE3 MET 250 -20.443 -13.295 1.253 971 H GLU 251 H GLU 251 -23.317 -5.107 0.507 972 HA GLU 251 HA GLU 251 -21.542 -3.663 -1.135 973 HB2 GLU 251 HB2 GLU 251 -24.127 -3.382 -0.268 974 HB3 GLU 251 HB3 GLU 251 -23.313 -2.063 0.569 975 HG2 GLU 251 HG3 GLU 251 -23.368 -2.557 -2.402 976 HG3 GLU 251 HG2 GLU 251 -24.215 -1.287 -1.526 977 H SER 252 H SER 252 -20.120 -2.053 -0.651 978 HA SER 252 HA SER 252 -18.405 -1.039 0.377 979 HB2 SER 252 HB3 SER 252 -18.619 -0.124 2.559 980 HB3 SER 252 HB2 SER 252 -20.226 -0.086 1.843 981 HG SER 252 HG SER 252 -20.650 -2.054 3.025 982 H GLU 253 H GLU 253 -19.497 -3.967 2.029 983 HA GLU 253 HA GLU 253 -17.044 -4.593 3.277 984 HB2 GLU 253 HB2 GLU 253 -19.280 -6.386 2.319 985 HB3 GLU 253 HB3 GLU 253 -17.935 -6.930 3.312 986 HG2 GLU 253 HG3 GLU 253 -18.621 -5.464 5.104 987 HG3 GLU 253 HG2 GLU 253 -19.916 -4.810 4.103 988 H GLU 254 H GLU 254 -18.308 -5.175 0.059 989 HA GLU 254 HA GLU 254 -16.510 -7.081 -0.842 990 HB2 GLU 254 HB2 GLU 254 -18.546 -6.583 -1.980 991 HB3 GLU 254 HB3 GLU 254 -18.084 -4.908 -2.202 992 HG2 GLU 254 HG3 GLU 254 -17.887 -5.991 -4.245 993 HG3 GLU 254 HG2 GLU 254 -16.256 -5.673 -3.679 994 H GLU 255 H GLU 255 -16.350 -3.514 -1.049 995 HA GLU 255 HA GLU 255 -13.896 -3.534 -2.473 996 HB2 GLU 255 HB2 GLU 255 -13.879 -1.140 -2.204 997 HB3 GLU 255 HB3 GLU 255 -15.502 -1.679 -2.601 998 HG2 GLU 255 HG3 GLU 255 -16.143 -0.381 -0.915 999 HG3 GLU 255 HG2 GLU 255 -15.570 -1.706 0.098 1000 H SER 256 H SER 256 -14.715 -3.370 0.916 1001 HA SER 256 HA SER 256 -12.107 -2.630 1.797 1002 HB2 SER 256 HB3 SER 256 -14.321 -3.987 3.350 1003 HB3 SER 256 HB2 SER 256 -12.934 -3.139 4.032 1004 HG SER 256 HG SER 256 -14.041 -1.447 2.362 1005 H ASP 257 H ASP 257 -13.745 -5.704 1.294 1006 HA ASP 257 HA ASP 257 -11.490 -7.193 2.375 1007 HB2 ASP 257 HB2 ASP 257 -13.918 -7.870 2.695 1008 HB3 ASP 257 HB3 ASP 257 -13.933 -8.300 0.989 1009 H ASP 258 H ASP 258 -12.051 -5.624 -0.396 1010 HA ASP 258 HA ASP 258 -11.476 -7.527 -2.417 1011 HB2 ASP 258 HB2 ASP 258 -12.642 -5.405 -2.855 1012 HB3 ASP 258 HB3 ASP 258 -11.172 -4.520 -2.468 1013 H ASP 259 H ASP 259 -9.483 -5.632 -0.313 1014 HA ASP 259 HA ASP 259 -7.096 -5.687 -1.824 1015 HB2 ASP 259 HB2 ASP 259 -7.456 -5.508 1.176 1016 HB3 ASP 259 HB3 ASP 259 -5.958 -5.177 0.313 1017 H GLY 260 H GLY 260 -8.158 -7.677 0.924 1018 HA2 GLY 260 HA3 GLY 260 -7.799 -9.961 1.242 1019 HA3 GLY 260 HA2 GLY 260 -6.759 -9.968 -0.179 1020 H PHE 261 H PHE 261 -6.143 -7.489 2.059 1021 HA PHE 261 HA PHE 261 -3.701 -8.880 2.912 1022 HB2 PHE 261 HB3 PHE 261 -4.012 -5.903 2.595 1023 HB3 PHE 261 HB2 PHE 261 -2.521 -6.809 2.803 1024 HD1 PHE 261 HD2 PHE 261 -3.147 -8.985 0.758 1025 HD2 PHE 261 HD1 PHE 261 -3.474 -4.754 0.645 1026 HE1 PHE 261 HE2 PHE 261 -2.894 -9.037 -1.682 1027 HE2 PHE 261 HE1 PHE 261 -3.231 -4.798 -1.793 1028 HZ PHE 261 HZ PHE 261 -2.941 -6.936 -2.967 1029 H VAL 262 H VAL 262 -2.699 -7.610 4.847 1030 HA VAL 262 HA VAL 262 -4.762 -6.564 6.651 1031 HB VAL 262 HB VAL 262 -4.243 -8.919 7.297 1032 HG11 VAL 262 HG21 VAL 262 -1.928 -9.032 6.575 1033 HG12 VAL 262 HG22 VAL 262 -2.057 -9.432 8.288 1034 HG13 VAL 262 HG23 VAL 262 -1.470 -7.844 7.794 1035 HG21 VAL 262 HG13 VAL 262 -5.002 -7.346 8.981 1036 HG22 VAL 262 HG11 VAL 262 -3.345 -6.810 9.257 1037 HG23 VAL 262 HG12 VAL 262 -3.820 -8.456 9.672 1038 H GLU 263 H GLU 263 -4.049 -4.865 7.961 1039 HA GLU 263 HA GLU 263 -1.477 -3.735 7.199 1040 HB2 GLU 263 HB2 GLU 263 -2.250 -1.716 8.434 1041 HB3 GLU 263 HB3 GLU 263 -3.307 -2.184 7.113 1042 HG2 GLU 263 HG3 GLU 263 -4.932 -1.869 8.605 1043 HG3 GLU 263 HG2 GLU 263 -4.480 -3.472 9.182 1044 H VAL 264 H VAL 264 0.181 -3.351 8.591 1045 HA VAL 264 HA VAL 264 0.004 -4.750 11.166 1046 HB VAL 264 HB VAL 264 2.467 -3.994 9.580 1047 HG11 VAL 264 HG21 VAL 264 2.195 -5.632 12.103 1048 HG12 VAL 264 HG22 VAL 264 2.888 -4.015 11.992 1049 HG13 VAL 264 HG23 VAL 264 3.686 -5.373 11.199 1050 HG21 VAL 264 HG13 VAL 264 1.119 -6.658 10.008 1051 HG22 VAL 264 HG11 VAL 264 2.681 -6.426 9.222 1052 HG23 VAL 264 HG12 VAL 264 1.218 -5.763 8.492 1053 H ASP 265 H ASP 265 -0.565 -3.362 12.665 1054 HA ASP 265 HA ASP 265 0.993 -0.920 13.006 1055 HB2 ASP 265 HB2 ASP 265 -1.014 -0.218 11.794 1056 HB3 ASP 265 HB3 ASP 265 -2.031 -1.004 12.980 Start of MODEL 2 1 H2 PRO 1 H2 PRO 1 18.987 -6.677 2.276 2 H3 PRO 1 H3 PRO 1 17.543 -6.886 1.544 3 HA PRO 1 HA PRO 1 18.231 -4.992 3.263 4 HB2 PRO 1 HB3 PRO 1 17.456 -3.332 0.993 5 HB3 PRO 1 HB2 PRO 1 18.752 -3.086 2.173 6 HG2 PRO 1 HG3 PRO 1 19.243 -3.775 -0.395 7 HG3 PRO 1 HG2 PRO 1 20.279 -4.285 0.951 8 HD2 PRO 1 HD2 PRO 1 18.140 -5.833 -0.484 9 HD3 PRO 1 HD3 PRO 1 19.757 -6.359 0.015 10 H SER 2 H SER 2 16.358 -4.605 4.277 11 HA SER 2 HA SER 2 13.948 -5.735 3.282 12 HB2 SER 2 HB3 SER 2 12.976 -4.685 5.375 13 HB3 SER 2 HB2 SER 2 14.318 -5.790 5.644 14 HG SER 2 HG SER 2 14.354 -3.660 6.760 15 H HIS 3 H HIS 3 15.417 -2.673 3.026 16 HA HIS 3 HA HIS 3 12.955 -1.204 2.635 17 HB2 HIS 3 HB3 HIS 3 15.884 -0.483 2.586 18 HB3 HIS 3 HB2 HIS 3 14.673 0.647 2.001 19 HD1 HIS 3 HD1 HIS 3 15.321 -1.334 5.209 20 HD2 HIS 3 HD2 HIS 3 13.836 2.328 3.912 21 HE1 HIS 3 HE1 HIS 3 14.826 -0.023 7.300 22 HE2 HIS 3 HE2 HIS 3 13.815 2.150 6.491 23 H SER 4 H SER 4 13.975 -3.398 0.727 24 HA SER 4 HA SER 4 13.117 -2.074 -1.663 25 HB2 SER 4 HB3 SER 4 15.129 -2.419 -3.003 26 HB3 SER 4 HB2 SER 4 15.467 -1.353 -1.637 27 HG SER 4 HG SER 4 16.042 -4.137 -1.756 28 H GLY 5 H GLY 5 12.495 -3.491 -3.259 29 HA2 GLY 5 HA3 GLY 5 13.208 -6.199 -3.462 30 HA3 GLY 5 HA2 GLY 5 11.738 -6.081 -2.501 31 H ALA 6 H ALA 6 12.206 -7.175 -5.243 32 HA ALA 6 HA ALA 6 11.124 -5.316 -7.098 33 HB1 ALA 6 HB1 ALA 6 11.306 -8.312 -7.366 34 HB2 ALA 6 HB2 ALA 6 12.586 -7.165 -7.772 35 HB3 ALA 6 HB3 ALA 6 11.069 -7.145 -8.670 36 H ALA 7 H ALA 7 9.031 -5.150 -7.938 37 HA ALA 7 HA ALA 7 6.944 -6.954 -7.034 38 HB1 ALA 7 HB1 ALA 7 6.772 -4.020 -6.366 39 HB2 ALA 7 HB2 ALA 7 7.062 -5.317 -5.205 40 HB3 ALA 7 HB3 ALA 7 5.528 -5.238 -6.078 41 H ILE 8 H ILE 8 4.990 -6.716 -8.159 42 HA ILE 8 HA ILE 8 5.210 -5.480 -10.807 43 HB ILE 8 HB ILE 8 3.219 -7.422 -9.598 44 HG12 ILE 8 HG13 ILE 8 3.982 -8.886 -11.501 45 HG13 ILE 8 HG12 ILE 8 5.235 -7.706 -11.832 46 HG21 ILE 8 HG21 ILE 8 3.144 -6.170 -12.331 47 HG22 ILE 8 HG22 ILE 8 2.004 -5.893 -11.015 48 HG23 ILE 8 HG23 ILE 8 2.103 -7.481 -11.777 49 HD11 ILE 8 HD11 ILE 8 4.923 -9.312 -9.308 50 HD12 ILE 8 HD12 ILE 8 6.170 -8.098 -9.597 51 HD13 ILE 8 HD13 ILE 8 6.122 -9.563 -10.577 52 H PHE 9 H PHE 9 4.136 -3.707 -11.366 53 HA PHE 9 HA PHE 9 1.922 -2.804 -9.701 54 HB2 PHE 9 HB3 PHE 9 3.841 -1.653 -8.797 55 HB3 PHE 9 HB2 PHE 9 4.358 -1.166 -10.400 56 HD1 PHE 9 HD1 PHE 9 1.638 -0.717 -7.916 57 HD2 PHE 9 HD2 PHE 9 3.695 0.869 -11.283 58 HE1 PHE 9 HE1 PHE 9 0.455 1.419 -7.635 59 HE2 PHE 9 HE2 PHE 9 2.504 3.001 -11.012 60 HZ PHE 9 HZ PHE 9 0.881 3.279 -9.183 61 H GLU 10 H GLU 10 0.270 -2.609 -11.052 62 HA GLU 10 HA GLU 10 -1.019 -2.096 -12.839 63 HB2 GLU 10 HB2 GLU 10 1.335 -0.428 -13.752 64 HB3 GLU 10 HB3 GLU 10 -0.287 -0.379 -14.428 65 HG2 GLU 10 HG3 GLU 10 -1.144 0.337 -12.240 66 HG3 GLU 10 HG2 GLU 10 0.512 0.384 -11.637 67 H LYS 11 H LYS 11 0.187 -4.424 -12.806 68 HA LYS 11 HA LYS 11 0.369 -6.267 -14.094 69 HB2 LYS 11 HB2 LYS 11 -0.293 -4.424 -16.395 70 HB3 LYS 11 HB3 LYS 11 -0.303 -6.180 -16.458 71 HG2 LYS 11 HG2 LYS 11 -2.507 -5.869 -16.071 72 HG3 LYS 11 HG3 LYS 11 -1.976 -5.815 -14.407 73 HD2 LYS 11 HD2 LYS 11 -1.765 -3.318 -14.738 74 HD3 LYS 11 HD3 LYS 11 -2.685 -3.562 -16.201 75 HE2 LYS 11 HE2 LYS 11 -4.459 -4.641 -14.877 76 HE3 LYS 11 HE3 LYS 11 -3.534 -4.263 -13.431 77 HZ1 LYS 11 HZ1 LYS 11 -3.782 -1.931 -13.867 78 HZ2 LYS 11 HZ2 LYS 11 -5.310 -2.652 -13.865 79 HZ3 LYS 11 HZ3 LYS 11 -4.574 -2.240 -15.328 80 H VAL 12 H VAL 12 2.575 -3.887 -14.134 81 HA VAL 12 HA VAL 12 4.362 -5.428 -15.892 82 HB VAL 12 HB VAL 12 4.472 -3.278 -16.789 83 HG11 VAL 12 HG21 VAL 12 3.125 -2.136 -15.139 84 HG12 VAL 12 HG22 VAL 12 4.600 -1.222 -15.457 85 HG13 VAL 12 HG23 VAL 12 4.458 -2.184 -13.985 86 HG21 VAL 12 HG13 VAL 12 6.711 -4.008 -16.380 87 HG22 VAL 12 HG11 VAL 12 6.634 -3.467 -14.700 88 HG23 VAL 12 HG12 VAL 12 6.634 -2.284 -16.014 89 H SER 13 H SER 13 6.111 -6.386 -15.061 90 HA SER 13 HA SER 13 6.479 -6.458 -12.224 91 HB2 SER 13 HB3 SER 13 6.889 -8.440 -13.673 92 HB3 SER 13 HB2 SER 13 8.241 -7.589 -14.416 93 HG SER 13 HG SER 13 8.514 -9.126 -12.463 94 H GLY 14 H GLY 14 7.784 -5.267 -11.016 95 HA2 GLY 14 HA3 GLY 14 10.011 -3.865 -12.248 96 HA3 GLY 14 HA2 GLY 14 8.760 -2.875 -11.527 97 H ILE 15 H ILE 15 10.444 -2.080 -10.127 98 HA ILE 15 HA ILE 15 11.001 -3.934 -7.945 99 HB ILE 15 HB ILE 15 12.852 -1.723 -8.727 100 HG12 ILE 15 HG13 ILE 15 12.577 -3.375 -10.580 101 HG13 ILE 15 HG12 ILE 15 14.200 -3.260 -9.950 102 HG21 ILE 15 HG21 ILE 15 13.110 -2.539 -6.457 103 HG22 ILE 15 HG22 ILE 15 14.497 -3.013 -7.436 104 HG23 ILE 15 HG23 ILE 15 13.246 -4.192 -7.052 105 HD11 ILE 15 HD11 ILE 15 12.237 -5.412 -9.275 106 HD12 ILE 15 HD12 ILE 15 13.929 -5.333 -8.780 107 HD13 ILE 15 HD13 ILE 15 13.512 -5.535 -10.487 108 H ILE 16 H ILE 16 11.159 -3.043 -5.888 109 HA ILE 16 HA ILE 16 9.970 -0.366 -5.577 110 HB ILE 16 HB ILE 16 8.982 -2.891 -4.641 111 HG12 ILE 16 HG13 ILE 16 8.031 -0.072 -4.135 112 HG13 ILE 16 HG12 ILE 16 7.695 -1.003 -5.589 113 HG21 ILE 16 HG21 ILE 16 10.320 -2.544 -2.627 114 HG22 ILE 16 HG22 ILE 16 8.602 -2.359 -2.274 115 HG23 ILE 16 HG23 ILE 16 9.628 -0.932 -2.432 116 HD11 ILE 16 HD11 ILE 16 6.469 -2.638 -4.262 117 HD12 ILE 16 HD12 ILE 16 5.806 -1.016 -4.052 118 HD13 ILE 16 HD13 ILE 16 6.828 -1.723 -2.799 119 H ALA 17 H ALA 17 11.092 0.996 -4.328 120 HA ALA 17 HA ALA 17 12.974 -0.136 -2.388 121 HB1 ALA 17 HB1 ALA 17 14.320 0.383 -4.292 122 HB2 ALA 17 HB2 ALA 17 14.664 1.541 -3.007 123 HB3 ALA 17 HB3 ALA 17 13.654 2.018 -4.377 124 H ILE 18 H ILE 18 12.168 0.506 -0.516 125 HA ILE 18 HA ILE 18 11.085 3.143 -0.085 126 HB ILE 18 HB ILE 18 11.809 1.170 2.063 127 HG12 ILE 18 HG13 ILE 18 9.154 0.850 1.885 128 HG13 ILE 18 HG12 ILE 18 9.508 1.155 0.186 129 HG21 ILE 18 HG21 ILE 18 11.397 3.486 2.756 130 HG22 ILE 18 HG22 ILE 18 10.152 2.386 3.367 131 HG23 ILE 18 HG23 ILE 18 9.808 3.425 1.984 132 HD11 ILE 18 HD11 ILE 18 10.750 -0.979 1.891 133 HD12 ILE 18 HD12 ILE 18 11.103 -0.670 0.190 134 HD13 ILE 18 HD13 ILE 18 9.499 -1.203 0.674 135 H ASN 19 H ASN 19 12.428 4.821 0.287 136 HA ASN 19 HA ASN 19 14.981 4.246 1.634 137 HB2 ASN 19 HB2 ASN 19 15.680 4.882 -0.496 138 HB3 ASN 19 HB3 ASN 19 14.348 6.013 -0.697 139 HD21 ASN 19 HD21 ASN 19 14.537 8.073 0.046 140 HD22 ASN 19 HD22 ASN 19 16.022 8.748 0.631 141 H GLU 20 H GLU 20 15.011 5.078 3.668 142 HA GLU 20 HA GLU 20 13.737 7.721 3.857 143 HB2 GLU 20 HB2 GLU 20 14.840 6.029 6.119 144 HB3 GLU 20 HB3 GLU 20 13.805 7.439 6.253 145 HG2 GLU 20 HG3 GLU 20 11.924 6.291 5.542 146 HG3 GLU 20 HG2 GLU 20 12.875 4.992 4.838 147 H ASP 21 H ASP 21 15.654 8.329 2.503 148 HA ASP 21 HA ASP 21 17.570 9.524 4.384 149 HB2 ASP 21 HB2 ASP 21 18.802 8.294 2.691 150 HB3 ASP 21 HB3 ASP 21 17.831 9.002 1.407 151 H VAL 22 H VAL 22 14.787 9.736 2.859 152 HA VAL 22 HA VAL 22 15.196 12.188 1.323 153 HB VAL 22 HB VAL 22 14.540 10.046 0.248 154 HG11 VAL 22 HG21 VAL 22 12.304 9.135 0.585 155 HG12 VAL 22 HG22 VAL 22 12.006 10.348 1.828 156 HG13 VAL 22 HG23 VAL 22 13.249 9.123 2.073 157 HG21 VAL 22 HG13 VAL 22 12.495 10.838 -0.981 158 HG22 VAL 22 HG11 VAL 22 13.896 11.924 -1.020 159 HG23 VAL 22 HG12 VAL 22 12.541 12.276 0.052 160 H SER 23 H SER 23 13.155 13.530 1.050 161 HA SER 23 HA SER 23 11.881 14.492 3.330 162 HB2 SER 23 HB3 SER 23 10.179 15.339 1.684 163 HB3 SER 23 HB2 SER 23 11.826 15.674 1.186 164 HG SER 23 HG SER 23 10.510 13.337 0.328 165 HA PRO 24 HA PRO 24 9.399 11.871 5.280 166 HB2 PRO 24 HB3 PRO 24 6.759 11.751 4.402 167 HB3 PRO 24 HB2 PRO 24 7.384 12.907 5.583 168 HG2 PRO 24 HG3 PRO 24 7.061 13.221 2.617 169 HG3 PRO 24 HG2 PRO 24 6.563 14.332 3.902 170 HD2 PRO 24 HD2 PRO 24 8.784 14.852 2.632 171 HD3 PRO 24 HD3 PRO 24 8.852 14.876 4.410 172 H ALA 25 H ALA 25 9.347 9.690 5.226 173 HA ALA 25 HA ALA 25 10.923 8.650 3.395 174 HB1 ALA 25 HB1 ALA 25 8.874 6.777 4.422 175 HB2 ALA 25 HB2 ALA 25 9.995 7.565 5.533 176 HB3 ALA 25 HB3 ALA 25 10.612 6.556 4.220 177 H GLU 26 H GLU 26 10.979 7.576 1.563 178 HA GLU 26 HA GLU 26 8.535 7.677 0.019 179 HB2 GLU 26 HB2 GLU 26 11.237 8.745 -0.834 180 HB3 GLU 26 HB3 GLU 26 9.944 8.381 -1.976 181 HG2 GLU 26 HG3 GLU 26 8.493 9.930 -0.593 182 HG3 GLU 26 HG2 GLU 26 9.978 10.433 0.209 183 H LEU 27 H LEU 27 8.060 5.987 -1.090 184 HA LEU 27 HA LEU 27 9.986 3.775 -1.401 185 HB2 LEU 27 HB2 LEU 27 7.913 3.084 -0.413 186 HB3 LEU 27 HB3 LEU 27 6.975 4.022 -1.545 187 HG LEU 27 HG LEU 27 8.570 1.600 -2.398 188 HD11 LEU 27 HD11 LEU 27 6.516 0.344 -2.214 189 HD12 LEU 27 HD12 LEU 27 5.681 1.769 -1.592 190 HD13 LEU 27 HD13 LEU 27 6.966 1.010 -0.645 191 HD21 LEU 27 HD21 LEU 27 6.145 2.911 -3.652 192 HD22 LEU 27 HD22 LEU 27 7.086 1.570 -4.309 193 HD23 LEU 27 HD23 LEU 27 7.806 3.172 -4.185 194 H THR 28 H THR 28 10.472 3.099 -3.496 195 HA THR 28 HA THR 28 9.330 4.774 -5.608 196 HB THR 28 HB THR 28 12.262 4.084 -5.445 197 HG1 THR 28 HG1 THR 28 11.806 5.631 -3.869 198 HG21 THR 28 HG21 THR 28 12.398 5.805 -7.242 199 HG22 THR 28 HG22 THR 28 10.628 5.839 -7.272 200 HG23 THR 28 HG23 THR 28 11.496 4.362 -7.708 201 H TRP 29 H TRP 29 8.171 3.402 -6.754 202 HA TRP 29 HA TRP 29 9.222 0.743 -7.293 203 HB2 TRP 29 HB3 TRP 29 6.790 1.045 -6.966 204 HB3 TRP 29 HB2 TRP 29 6.739 2.068 -8.400 205 HD1 TRP 29 HD1 TRP 29 7.245 -1.604 -7.373 206 HE1 TRP 29 HE1 TRP 29 6.840 -3.104 -9.428 207 HE3 TRP 29 HE3 TRP 29 6.739 2.032 -10.928 208 HZ2 TRP 29 HZ2 TRP 29 6.382 -2.775 -12.187 209 HZ3 TRP 29 HZ3 TRP 29 6.320 1.346 -13.246 210 HH2 TRP 29 HH2 TRP 29 6.148 -1.000 -13.864 211 H ARG 30 H ARG 30 10.752 0.574 -8.647 212 HA ARG 30 HA ARG 30 10.740 2.192 -11.105 213 HB2 ARG 30 HB2 ARG 30 12.622 2.744 -9.663 214 HB3 ARG 30 HB3 ARG 30 13.028 1.041 -9.489 215 HG2 ARG 30 HG2 ARG 30 12.964 1.950 -12.249 216 HG3 ARG 30 HG3 ARG 30 14.161 2.779 -11.256 217 HD2 ARG 30 HD2 ARG 30 15.135 0.698 -10.600 218 HD3 ARG 30 HD3 ARG 30 13.871 -0.224 -11.412 219 HE ARG 30 HE ARG 30 15.378 1.572 -13.119 220 HH11 ARG 30 HH11 ARG 30 15.176 -1.665 -11.805 221 HH12 ARG 30 HH12 ARG 30 16.172 -2.367 -13.035 222 HH21 ARG 30 HH21 ARG 30 16.697 0.660 -14.740 223 HH22 ARG 30 HH22 ARG 30 17.036 -1.042 -14.715 224 H SER 31 H SER 31 10.209 0.973 -12.845 225 HA SER 31 HA SER 31 9.689 -1.750 -12.625 226 HB2 SER 31 HB3 SER 31 9.394 -1.721 -15.078 227 HB3 SER 31 HB2 SER 31 8.583 -0.365 -14.297 228 HG SER 31 HG SER 31 10.283 -0.248 -16.267 229 H THR 32 H THR 32 10.657 -3.546 -13.562 230 HA THR 32 HA THR 32 13.368 -3.846 -12.968 231 HB THR 32 HB THR 32 11.740 -5.595 -14.828 232 HG1 THR 32 HG1 THR 32 11.982 -5.716 -11.988 233 HG21 THR 32 HG21 THR 32 13.191 -7.388 -14.011 234 HG22 THR 32 HG22 THR 32 14.072 -6.228 -13.016 235 HG23 THR 32 HG23 THR 32 14.141 -6.112 -14.774 236 H ASP 33 H ASP 33 11.716 -2.980 -15.919 237 HA ASP 33 HA ASP 33 14.003 -3.192 -17.627 238 HB2 ASP 33 HB2 ASP 33 12.385 -1.813 -19.128 239 HB3 ASP 33 HB3 ASP 33 12.020 -3.497 -18.789 240 H GLY 34 H GLY 34 12.538 -0.715 -15.649 241 HA2 GLY 34 HA3 GLY 34 13.828 1.123 -14.868 242 HA3 GLY 34 HA2 GLY 34 14.781 1.044 -16.340 243 H ASP 35 H ASP 35 11.757 0.709 -17.434 244 HA ASP 35 HA ASP 35 11.654 3.316 -18.503 245 HB2 ASP 35 HB2 ASP 35 10.698 1.728 -19.876 246 HB3 ASP 35 HB3 ASP 35 9.834 0.972 -18.550 247 H LYS 36 H LYS 36 9.637 1.753 -16.034 248 HA LYS 36 HA LYS 36 8.390 4.365 -15.563 249 HB2 LYS 36 HB2 LYS 36 7.416 1.574 -15.154 250 HB3 LYS 36 HB3 LYS 36 6.760 2.880 -14.171 251 HG2 LYS 36 HG2 LYS 36 5.951 4.019 -16.063 252 HG3 LYS 36 HG3 LYS 36 6.836 2.964 -17.153 253 HD2 LYS 36 HD2 LYS 36 4.571 2.237 -17.209 254 HD3 LYS 36 HD3 LYS 36 5.446 1.055 -16.226 255 HE2 LYS 36 HE2 LYS 36 4.655 2.122 -14.195 256 HE3 LYS 36 HE3 LYS 36 3.847 3.374 -15.137 257 HZ1 LYS 36 HZ1 LYS 36 3.178 0.482 -15.107 258 HZ2 LYS 36 HZ2 LYS 36 2.453 1.624 -16.117 259 HZ3 LYS 36 HZ3 LYS 36 2.256 1.740 -14.437 260 H VAL 37 H VAL 37 8.243 5.277 -13.664 261 HA VAL 37 HA VAL 37 9.394 3.986 -11.298 262 HB VAL 37 HB VAL 37 10.300 6.686 -12.336 263 HG11 VAL 37 HG21 VAL 37 9.919 6.818 -9.938 264 HG12 VAL 37 HG22 VAL 37 11.647 6.851 -10.295 265 HG13 VAL 37 HG23 VAL 37 10.899 5.372 -9.690 266 HG21 VAL 37 HG13 VAL 37 12.530 5.715 -12.303 267 HG22 VAL 37 HG11 VAL 37 11.457 4.754 -13.321 268 HG23 VAL 37 HG12 VAL 37 11.878 4.192 -11.701 269 H HIS 38 H HIS 38 7.897 4.105 -9.802 270 HA HIS 38 HA HIS 38 6.188 6.502 -9.656 271 HB2 HIS 38 HB3 HIS 38 5.182 4.252 -10.466 272 HB3 HIS 38 HB2 HIS 38 5.336 3.777 -8.778 273 HD1 HIS 38 HD1 HIS 38 2.964 5.156 -11.033 274 HD2 HIS 38 HD2 HIS 38 3.937 5.856 -7.055 275 HE1 HIS 38 HE1 HIS 38 0.966 6.303 -10.045 276 HE2 HIS 38 HE2 HIS 38 1.722 6.992 -7.745 277 H THR 39 H THR 39 6.818 7.608 -7.877 278 HA THR 39 HA THR 39 7.921 6.093 -5.634 279 HB THR 39 HB THR 39 7.906 9.093 -6.083 280 HG1 THR 39 HG1 THR 39 10.247 7.582 -6.305 281 HG21 THR 39 HG21 THR 39 9.558 7.410 -4.198 282 HG22 THR 39 HG22 THR 39 8.156 8.371 -3.726 283 HG23 THR 39 HG23 THR 39 9.601 9.166 -4.356 284 H VAL 40 H VAL 40 6.971 6.047 -3.625 285 HA VAL 40 HA VAL 40 4.372 7.411 -3.287 286 HB VAL 40 HB VAL 40 5.475 4.861 -2.118 287 HG11 VAL 40 HG21 VAL 40 4.407 6.021 -0.310 288 HG12 VAL 40 HG22 VAL 40 3.366 4.699 -0.844 289 HG13 VAL 40 HG23 VAL 40 3.000 6.358 -1.315 290 HG21 VAL 40 HG13 VAL 40 4.325 4.960 -4.400 291 HG22 VAL 40 HG11 VAL 40 2.845 5.250 -3.481 292 HG23 VAL 40 HG12 VAL 40 3.762 3.758 -3.234 293 H VAL 41 H VAL 41 4.200 8.939 -1.706 294 HA VAL 41 HA VAL 41 6.335 9.243 0.251 295 HB VAL 41 HB VAL 41 3.879 10.968 -0.149 296 HG11 VAL 41 HG21 VAL 41 6.381 11.391 1.493 297 HG12 VAL 41 HG22 VAL 41 4.741 11.173 2.100 298 HG13 VAL 41 HG23 VAL 41 5.160 12.627 1.195 299 HG21 VAL 41 HG13 VAL 41 5.284 11.057 -2.115 300 HG22 VAL 41 HG11 VAL 41 6.711 11.345 -1.119 301 HG23 VAL 41 HG12 VAL 41 5.439 12.564 -1.210 302 H LEU 42 H LEU 42 6.198 7.958 1.869 303 HA LEU 42 HA LEU 42 4.077 6.496 2.821 304 HB2 LEU 42 HB2 LEU 42 6.627 7.406 4.086 305 HB3 LEU 42 HB3 LEU 42 5.441 6.513 5.022 306 HG LEU 42 HG LEU 42 7.376 5.204 3.944 307 HD11 LEU 42 HD11 LEU 42 5.916 3.289 3.603 308 HD12 LEU 42 HD12 LEU 42 4.515 4.354 3.533 309 HD13 LEU 42 HD13 LEU 42 5.444 4.206 5.027 310 HD21 LEU 42 HD21 LEU 42 5.601 5.526 1.527 311 HD22 LEU 42 HD22 LEU 42 6.943 4.393 1.678 312 HD23 LEU 42 HD23 LEU 42 7.253 6.130 1.700 313 H SER 43 H SER 43 4.864 9.823 3.587 314 HA SER 43 HA SER 43 3.210 9.903 5.912 315 HB2 SER 43 HB3 SER 43 4.404 12.093 4.243 316 HB3 SER 43 HB2 SER 43 3.472 12.384 5.709 317 HG SER 43 HG SER 43 5.118 11.790 6.855 318 H THR 44 H THR 44 2.745 10.696 2.498 319 HA THR 44 HA THR 44 0.048 11.596 2.885 320 HB THR 44 HB THR 44 -0.196 11.442 0.447 321 HG1 THR 44 HG1 THR 44 2.020 9.808 0.701 322 HG21 THR 44 HG21 THR 44 1.550 13.035 -0.197 323 HG22 THR 44 HG22 THR 44 2.449 12.644 1.270 324 HG23 THR 44 HG23 THR 44 0.873 13.430 1.385 325 H ILE 45 H ILE 45 1.576 8.616 2.884 326 HA ILE 45 HA ILE 45 -0.681 6.997 2.238 327 HB ILE 45 HB ILE 45 1.947 6.335 3.542 328 HG12 ILE 45 HG13 ILE 45 2.159 7.127 1.239 329 HG13 ILE 45 HG12 ILE 45 2.532 5.419 1.351 330 HG21 ILE 45 HG21 ILE 45 0.198 4.736 4.147 331 HG22 ILE 45 HG22 ILE 45 1.428 4.014 3.106 332 HG23 ILE 45 HG23 ILE 45 -0.137 4.471 2.436 333 HD11 ILE 45 HD11 ILE 45 1.241 5.745 -0.629 334 HD12 ILE 45 HD12 ILE 45 0.025 6.674 0.253 335 HD13 ILE 45 HD13 ILE 45 0.191 4.944 0.549 336 H ASP 46 H ASP 46 -2.358 6.810 3.519 337 HA ASP 46 HA ASP 46 -2.358 7.416 6.304 338 HB2 ASP 46 HB2 ASP 46 -4.318 7.739 4.823 339 HB3 ASP 46 HB3 ASP 46 -4.442 6.003 4.625 340 H LYS 47 H LYS 47 -2.537 4.396 4.441 341 HA LYS 47 HA LYS 47 -1.656 2.903 6.814 342 HB2 LYS 47 HB2 LYS 47 -3.988 2.054 5.065 343 HB3 LYS 47 HB3 LYS 47 -3.271 1.099 6.351 344 HG2 LYS 47 HG2 LYS 47 -4.596 3.759 6.798 345 HG3 LYS 47 HG3 LYS 47 -5.418 2.206 6.936 346 HD2 LYS 47 HD2 LYS 47 -3.768 1.536 8.657 347 HD3 LYS 47 HD3 LYS 47 -3.070 3.153 8.562 348 HE2 LYS 47 HE2 LYS 47 -5.913 2.505 9.325 349 HE3 LYS 47 HE3 LYS 47 -4.625 2.943 10.445 350 HZ1 LYS 47 HZ1 LYS 47 -5.651 4.681 8.258 351 HZ2 LYS 47 HZ2 LYS 47 -4.473 5.095 9.397 352 HZ3 LYS 47 HZ3 LYS 47 -6.061 4.821 9.896 353 H LEU 48 H LEU 48 -0.579 0.905 6.276 354 HA LEU 48 HA LEU 48 -0.356 0.389 3.395 355 HB2 LEU 48 HB2 LEU 48 1.859 0.948 3.968 356 HB3 LEU 48 HB3 LEU 48 1.728 0.126 5.518 357 HG LEU 48 HG LEU 48 1.519 -2.034 4.227 358 HD11 LEU 48 HD11 LEU 48 2.019 -2.155 1.998 359 HD12 LEU 48 HD12 LEU 48 2.857 -0.610 2.000 360 HD13 LEU 48 HD13 LEU 48 1.094 -0.653 2.062 361 HD21 LEU 48 HD21 LEU 48 3.723 -0.571 5.048 362 HD22 LEU 48 HD22 LEU 48 4.137 -1.209 3.457 363 HD23 LEU 48 HD23 LEU 48 3.634 -2.305 4.741 364 H GLN 49 H GLN 49 -0.598 -1.629 2.739 365 HA GLN 49 HA GLN 49 -1.604 -3.588 4.696 366 HB2 GLN 49 HB2 GLN 49 -2.247 -3.302 1.772 367 HB3 GLN 49 HB3 GLN 49 -2.861 -4.555 2.816 368 HG2 GLN 49 HG2 GLN 49 -3.418 -1.625 3.145 369 HG3 GLN 49 HG3 GLN 49 -4.504 -2.793 2.391 370 HE21 GLN 49 HE21 GLN 49 -5.417 -4.445 3.686 371 HE22 GLN 49 HE22 GLN 49 -5.567 -4.231 5.399 372 H ALA 50 H ALA 50 -1.149 -5.794 4.205 373 HA ALA 50 HA ALA 50 0.671 -6.551 2.122 374 HB1 ALA 50 HB1 ALA 50 1.678 -6.654 4.972 375 HB2 ALA 50 HB2 ALA 50 2.219 -5.497 3.753 376 HB3 ALA 50 HB3 ALA 50 2.525 -7.222 3.535 377 H THR 51 H THR 51 0.432 -8.718 1.709 378 HA THR 51 HA THR 51 -1.705 -10.195 2.707 379 HB THR 51 HB THR 51 -0.541 -12.205 1.802 380 HG1 THR 51 HG1 THR 51 1.619 -10.995 2.272 381 HG21 THR 51 HG21 THR 51 -1.881 -10.986 0.261 382 HG22 THR 51 HG22 THR 51 -0.362 -11.370 -0.562 383 HG23 THR 51 HG23 THR 51 -0.639 -9.748 0.076 384 HA PRO 52 HA PRO 52 -0.330 -11.373 6.781 385 HB2 PRO 52 HB3 PRO 52 -2.450 -13.024 7.235 386 HB3 PRO 52 HB2 PRO 52 -2.562 -11.266 7.338 387 HG2 PRO 52 HG3 PRO 52 -3.278 -13.079 5.069 388 HG3 PRO 52 HG2 PRO 52 -4.202 -11.752 5.763 389 HD2 PRO 52 HD2 PRO 52 -2.807 -11.439 3.524 390 HD3 PRO 52 HD3 PRO 52 -2.899 -10.149 4.724 391 H ALA 53 H ALA 53 0.152 -13.417 7.902 392 HA ALA 53 HA ALA 53 1.576 -15.259 6.334 393 HB1 ALA 53 HB1 ALA 53 0.486 -15.633 9.123 394 HB2 ALA 53 HB2 ALA 53 2.025 -14.877 8.712 395 HB3 ALA 53 HB3 ALA 53 1.763 -16.587 8.370 396 H SER 54 H SER 54 -1.759 -15.104 7.251 397 HA SER 54 HA SER 54 -2.396 -17.819 6.595 398 HB2 SER 54 HB3 SER 54 -4.171 -15.402 6.976 399 HB3 SER 54 HB2 SER 54 -4.729 -17.069 6.860 400 HG SER 54 HG SER 54 -4.512 -16.442 9.035 401 H SER 55 H SER 55 -2.166 -14.839 4.845 402 HA SER 55 HA SER 55 -3.670 -15.584 2.561 403 HB2 SER 55 HB3 SER 55 -2.959 -13.222 3.050 404 HB3 SER 55 HB2 SER 55 -1.301 -13.700 2.712 405 HG SER 55 HG SER 55 -3.365 -13.152 0.994 406 H GLU 56 H GLU 56 -2.905 -16.411 0.544 407 HA GLU 56 HA GLU 56 -0.582 -18.153 0.870 408 HB2 GLU 56 HB2 GLU 56 -2.352 -18.205 -1.515 409 HB3 GLU 56 HB3 GLU 56 -1.454 -19.517 -0.778 410 HG2 GLU 56 HG3 GLU 56 -3.522 -20.101 -0.118 411 HG3 GLU 56 HG2 GLU 56 -3.126 -19.027 1.217 412 H LYS 57 H LYS 57 -1.550 -15.242 -0.452 413 HA LYS 57 HA LYS 57 0.324 -15.294 -2.621 414 HB2 LYS 57 HB2 LYS 57 -1.668 -13.244 -1.788 415 HB3 LYS 57 HB3 LYS 57 -0.621 -13.076 -3.177 416 HG2 LYS 57 HG2 LYS 57 -2.679 -13.820 -3.989 417 HG3 LYS 57 HG3 LYS 57 -1.633 -15.220 -3.991 418 HD2 LYS 57 HD2 LYS 57 -3.833 -15.803 -3.202 419 HD3 LYS 57 HD3 LYS 57 -2.602 -15.964 -1.940 420 HE2 LYS 57 HE2 LYS 57 -3.263 -13.958 -0.908 421 HE3 LYS 57 HE3 LYS 57 -4.288 -13.501 -2.265 422 HZ1 LYS 57 HZ1 LYS 57 -5.596 -14.317 -0.399 423 HZ2 LYS 57 HZ2 LYS 57 -4.788 -15.803 -0.441 424 HZ3 LYS 57 HZ3 LYS 57 -5.767 -15.332 -1.738 425 H MET 58 H MET 58 1.414 -12.982 -2.891 426 HA MET 58 HA MET 58 2.300 -11.905 -0.308 427 HB2 MET 58 HB3 MET 58 4.375 -11.630 -2.279 428 HB3 MET 58 HB2 MET 58 4.474 -12.322 -0.680 429 HG2 MET 58 HG3 MET 58 5.255 -13.896 -2.322 430 HG3 MET 58 HG2 MET 58 3.791 -14.496 -1.565 431 HE1 MET 58 HE1 MET 58 3.385 -16.301 -3.436 432 HE2 MET 58 HE2 MET 58 4.915 -15.810 -4.159 433 HE3 MET 58 HE3 MET 58 3.474 -15.954 -5.162 434 H MET 59 H MET 59 1.562 -9.858 -0.321 435 HA MET 59 HA MET 59 1.953 -8.185 -2.637 436 HB2 MET 59 HB3 MET 59 -0.479 -9.625 -2.333 437 HB3 MET 59 HB2 MET 59 -0.819 -7.923 -2.066 438 HG2 MET 59 HG3 MET 59 0.123 -7.360 -4.216 439 HG3 MET 59 HG2 MET 59 0.581 -9.041 -4.490 440 HE1 MET 59 HE1 MET 59 -1.205 -11.019 -4.678 441 HE2 MET 59 HE2 MET 59 -2.948 -10.771 -4.751 442 HE3 MET 59 HE3 MET 59 -2.084 -10.507 -3.238 443 H LEU 60 H LEU 60 2.150 -6.110 -2.093 444 HA LEU 60 HA LEU 60 1.155 -5.228 0.553 445 HB2 LEU 60 HB2 LEU 60 3.479 -4.523 -1.082 446 HB3 LEU 60 HB3 LEU 60 2.626 -3.139 -0.444 447 HG LEU 60 HG LEU 60 2.861 -4.318 1.840 448 HD11 LEU 60 HD11 LEU 60 4.998 -5.730 0.257 449 HD12 LEU 60 HD12 LEU 60 3.629 -6.481 1.087 450 HD13 LEU 60 HD13 LEU 60 4.898 -5.672 2.019 451 HD21 LEU 60 HD21 LEU 60 5.155 -3.132 0.326 452 HD22 LEU 60 HD22 LEU 60 5.146 -3.392 2.066 453 HD23 LEU 60 HD23 LEU 60 3.981 -2.287 1.333 454 H ARG 61 H ARG 61 0.160 -3.120 0.690 455 HA ARG 61 HA ARG 61 -0.558 -1.718 -1.733 456 HB2 ARG 61 HB2 ARG 61 -2.472 -3.247 -1.477 457 HB3 ARG 61 HB3 ARG 61 -2.726 -2.650 0.156 458 HG2 ARG 61 HG2 ARG 61 -2.911 -0.330 -0.993 459 HG3 ARG 61 HG3 ARG 61 -3.218 -1.277 -2.446 460 HD2 ARG 61 HD2 ARG 61 -4.752 -2.080 -0.069 461 HD3 ARG 61 HD3 ARG 61 -5.122 -0.479 -0.697 462 HE ARG 61 HE ARG 61 -5.181 -2.126 -2.887 463 HH11 ARG 61 HH11 ARG 61 -6.876 -1.891 0.182 464 HH12 ARG 61 HH12 ARG 61 -8.297 -2.698 -0.401 465 HH21 ARG 61 HH21 ARG 61 -7.065 -3.115 -3.653 466 HH22 ARG 61 HH22 ARG 61 -8.413 -3.380 -2.589 467 H LEU 62 H LEU 62 0.060 0.286 -1.328 468 HA LEU 62 HA LEU 62 0.012 1.305 1.409 469 HB2 LEU 62 HB2 LEU 62 1.329 2.333 -1.116 470 HB3 LEU 62 HB3 LEU 62 1.350 3.204 0.388 471 HG LEU 62 HG LEU 62 2.394 1.012 1.337 472 HD11 LEU 62 HD11 LEU 62 3.023 0.746 -1.598 473 HD12 LEU 62 HD12 LEU 62 2.027 -0.354 -0.645 474 HD13 LEU 62 HD13 LEU 62 3.750 -0.199 -0.298 475 HD21 LEU 62 HD21 LEU 62 3.540 3.154 1.204 476 HD22 LEU 62 HD22 LEU 62 3.956 2.823 -0.476 477 HD23 LEU 62 HD23 LEU 62 4.626 1.812 0.816 478 H ILE 63 H ILE 63 -1.762 2.285 2.034 479 HA ILE 63 HA ILE 63 -3.676 3.426 0.156 480 HB ILE 63 HB ILE 63 -4.013 3.684 3.106 481 HG12 ILE 63 HG13 ILE 63 -3.099 1.415 2.895 482 HG13 ILE 63 HG12 ILE 63 -4.791 1.395 3.388 483 HG21 ILE 63 HG21 ILE 63 -5.955 2.785 0.997 484 HG22 ILE 63 HG22 ILE 63 -5.704 4.465 1.470 485 HG23 ILE 63 HG23 ILE 63 -6.323 3.302 2.642 486 HD11 ILE 63 HD11 ILE 63 -4.331 -0.327 1.780 487 HD12 ILE 63 HD12 ILE 63 -3.738 0.873 0.633 488 HD13 ILE 63 HD13 ILE 63 -5.434 0.872 1.109 489 H GLY 64 H GLY 64 -3.621 5.624 -0.315 490 HA2 GLY 64 HA3 GLY 64 -2.198 7.351 1.562 491 HA3 GLY 64 HA2 GLY 64 -2.728 7.818 -0.029 492 H LYS 65 H LYS 65 -3.130 9.406 2.224 493 HA LYS 65 HA LYS 65 -5.671 8.974 3.414 494 HB2 LYS 65 HB2 LYS 65 -3.989 11.461 3.185 495 HB3 LYS 65 HB3 LYS 65 -5.521 11.401 4.035 496 HG2 LYS 65 HG2 LYS 65 -4.042 11.132 5.745 497 HG3 LYS 65 HG3 LYS 65 -4.401 9.466 5.353 498 HD2 LYS 65 HD2 LYS 65 -2.344 9.173 4.258 499 HD3 LYS 65 HD3 LYS 65 -2.075 10.910 4.138 500 HE2 LYS 65 HE2 LYS 65 -2.191 9.422 6.741 501 HE3 LYS 65 HE3 LYS 65 -0.695 9.749 5.871 502 HZ1 LYS 65 HZ1 LYS 65 -2.592 11.848 6.753 503 HZ2 LYS 65 HZ2 LYS 65 -1.048 12.078 6.102 504 HZ3 LYS 65 HZ3 LYS 65 -1.228 11.384 7.639 505 H VAL 66 H VAL 66 -7.654 9.460 2.692 506 HA VAL 66 HA VAL 66 -7.908 11.053 0.266 507 HB VAL 66 HB VAL 66 -9.295 9.046 0.473 508 HG11 VAL 66 HG21 VAL 66 -10.665 10.486 2.733 509 HG12 VAL 66 HG22 VAL 66 -9.650 9.052 2.887 510 HG13 VAL 66 HG23 VAL 66 -11.181 8.959 2.016 511 HG21 VAL 66 HG13 VAL 66 -11.452 10.069 -0.148 512 HG22 VAL 66 HG11 VAL 66 -10.069 10.799 -0.963 513 HG23 VAL 66 HG12 VAL 66 -10.830 11.627 0.396 514 H ASP 67 H ASP 67 -9.281 12.923 0.220 515 HA ASP 67 HA ASP 67 -8.590 14.534 2.521 516 HB2 ASP 67 HB2 ASP 67 -8.979 16.418 1.006 517 HB3 ASP 67 HB3 ASP 67 -7.808 15.288 0.361 518 H GLU 68 H GLU 68 -9.971 15.342 3.883 519 HA GLU 68 HA GLU 68 -12.818 14.986 3.524 520 HB2 GLU 68 HB2 GLU 68 -11.262 16.232 5.769 521 HB3 GLU 68 HB3 GLU 68 -12.988 15.935 5.787 522 HG2 GLU 68 HG3 GLU 68 -10.859 13.827 5.562 523 HG3 GLU 68 HG2 GLU 68 -11.707 14.273 7.036 524 H SER 69 H SER 69 -10.490 17.357 2.859 525 HA SER 69 HA SER 69 -11.669 19.738 3.561 526 HB2 SER 69 HB3 SER 69 -10.056 19.416 1.054 527 HB3 SER 69 HB2 SER 69 -10.015 20.696 2.253 528 HG SER 69 HG SER 69 -9.163 19.108 3.740 529 H LYS 70 H LYS 70 -12.043 17.892 0.529 530 HA LYS 70 HA LYS 70 -14.557 19.337 0.177 531 HB2 LYS 70 HB2 LYS 70 -14.271 19.236 -2.288 532 HB3 LYS 70 HB3 LYS 70 -13.130 20.297 -1.488 533 HG2 LYS 70 HG2 LYS 70 -12.361 17.491 -2.160 534 HG3 LYS 70 HG3 LYS 70 -12.331 18.748 -3.387 535 HD2 LYS 70 HD2 LYS 70 -10.916 20.085 -1.731 536 HD3 LYS 70 HD3 LYS 70 -10.730 18.561 -0.863 537 HE2 LYS 70 HE2 LYS 70 -9.876 19.197 -3.681 538 HE3 LYS 70 HE3 LYS 70 -8.846 18.801 -2.308 539 HZ1 LYS 70 HZ1 LYS 70 -9.005 16.881 -3.656 540 HZ2 LYS 70 HZ2 LYS 70 -10.685 16.991 -3.763 541 HZ3 LYS 70 HZ3 LYS 70 -9.962 16.579 -2.290 542 H LYS 71 H LYS 71 -14.588 17.127 1.548 543 HA LYS 71 HA LYS 71 -14.858 14.712 0.284 544 HB2 LYS 71 HB2 LYS 71 -16.314 14.060 2.129 545 HB3 LYS 71 HB3 LYS 71 -14.871 14.891 2.677 546 HG2 LYS 71 HG2 LYS 71 -16.171 16.958 2.891 547 HG3 LYS 71 HG3 LYS 71 -17.601 16.040 2.428 548 HD2 LYS 71 HD2 LYS 71 -15.853 15.328 4.750 549 HD3 LYS 71 HD3 LYS 71 -17.292 16.339 4.910 550 HE2 LYS 71 HE2 LYS 71 -17.174 13.496 3.924 551 HE3 LYS 71 HE3 LYS 71 -17.757 14.020 5.499 552 HZ1 LYS 71 HZ1 LYS 71 -19.594 13.608 4.023 553 HZ2 LYS 71 HZ2 LYS 71 -18.984 14.687 2.875 554 HZ3 LYS 71 HZ3 LYS 71 -19.520 15.259 4.371 555 H ARG 72 H ARG 72 -16.553 13.628 -0.645 556 HA ARG 72 HA ARG 72 -18.165 15.454 -2.211 557 HB2 ARG 72 HB2 ARG 72 -18.010 13.944 -3.896 558 HB3 ARG 72 HB3 ARG 72 -16.636 13.389 -2.949 559 HG2 ARG 72 HG2 ARG 72 -17.854 11.578 -2.081 560 HG3 ARG 72 HG3 ARG 72 -19.381 12.208 -2.697 561 HD2 ARG 72 HD2 ARG 72 -18.357 10.319 -4.020 562 HD3 ARG 72 HD3 ARG 72 -18.770 11.765 -4.938 563 HE ARG 72 HE ARG 72 -16.250 12.292 -4.500 564 HH11 ARG 72 HH11 ARG 72 -17.653 9.171 -5.233 565 HH12 ARG 72 HH12 ARG 72 -16.227 8.577 -6.017 566 HH21 ARG 72 HH21 ARG 72 -14.380 11.519 -5.554 567 HH22 ARG 72 HH22 ARG 72 -14.370 9.912 -6.212 568 H LYS 73 H LYS 73 -20.361 14.559 -2.921 569 HA LYS 73 HA LYS 73 -21.798 13.366 -0.683 570 HB2 LYS 73 HB2 LYS 73 -23.463 15.300 -1.955 571 HB3 LYS 73 HB3 LYS 73 -23.064 15.141 -0.260 572 HG2 LYS 73 HG2 LYS 73 -22.367 17.281 -0.773 573 HG3 LYS 73 HG3 LYS 73 -20.877 16.345 -0.879 574 HD2 LYS 73 HD2 LYS 73 -21.351 16.124 -3.346 575 HD3 LYS 73 HD3 LYS 73 -22.602 17.348 -3.131 576 HE2 LYS 73 HE2 LYS 73 -19.665 17.669 -2.537 577 HE3 LYS 73 HE3 LYS 73 -20.523 18.352 -3.914 578 HZ1 LYS 73 HZ1 LYS 73 -21.867 19.648 -2.357 579 HZ2 LYS 73 HZ2 LYS 73 -20.223 20.004 -2.205 580 HZ3 LYS 73 HZ3 LYS 73 -20.983 19.026 -1.058 581 H ASP 74 H ASP 74 -24.144 12.720 -1.475 582 HA ASP 74 HA ASP 74 -23.588 11.076 -3.776 583 HB2 ASP 74 HB2 ASP 74 -24.768 10.305 -1.695 584 HB3 ASP 74 HB3 ASP 74 -26.138 11.270 -2.207 585 H ASN 75 H ASN 75 -26.094 10.855 -5.040 586 HA ASN 75 HA ASN 75 -25.937 13.122 -6.765 587 HB2 ASN 75 HB2 ASN 75 -27.558 12.064 -8.120 588 HB3 ASN 75 HB3 ASN 75 -26.622 10.750 -7.426 589 HD21 ASN 75 HD21 ASN 75 -29.690 12.346 -7.521 590 HD22 ASN 75 HD22 ASN 75 -30.577 11.146 -6.643 591 H GLU 76 H GLU 76 -27.546 12.538 -3.863 592 HA GLU 76 HA GLU 76 -29.603 14.560 -4.395 593 HB2 GLU 76 HB2 GLU 76 -29.208 12.759 -2.014 594 HB3 GLU 76 HB3 GLU 76 -30.555 13.858 -2.244 595 HG2 GLU 76 HG3 GLU 76 -31.386 12.599 -4.062 596 HG3 GLU 76 HG2 GLU 76 -29.912 11.635 -4.144 597 H GLY 77 H GLY 77 -26.508 14.384 -3.404 598 HA2 GLY 77 HA3 GLY 77 -25.167 16.069 -2.512 599 HA3 GLY 77 HA2 GLY 77 -26.620 16.955 -2.078 600 H ASN 78 H ASN 78 -25.929 13.629 -1.198 601 HA ASN 78 HA ASN 78 -26.463 14.188 1.554 602 HB2 ASN 78 HB2 ASN 78 -25.664 11.702 0.088 603 HB3 ASN 78 HB3 ASN 78 -25.913 11.727 1.831 604 HD21 ASN 78 HD21 ASN 78 -27.282 11.557 -1.239 605 HD22 ASN 78 HD22 ASN 78 -28.916 11.436 -0.763 606 H GLU 79 H GLU 79 -23.999 11.917 0.844 607 HA GLU 79 HA GLU 79 -21.691 13.429 1.247 608 HB2 GLU 79 HB2 GLU 79 -21.104 12.776 3.537 609 HB3 GLU 79 HB3 GLU 79 -22.530 13.801 3.511 610 HG2 GLU 79 HG3 GLU 79 -23.943 11.911 3.891 611 HG3 GLU 79 HG2 GLU 79 -22.574 10.821 3.697 612 H VAL 80 H VAL 80 -20.266 12.222 0.191 613 HA VAL 80 HA VAL 80 -20.162 9.344 0.855 614 HB VAL 80 HB VAL 80 -19.167 10.300 -1.787 615 HG11 VAL 80 HG21 VAL 80 -19.680 7.997 -2.458 616 HG12 VAL 80 HG22 VAL 80 -20.308 7.676 -0.841 617 HG13 VAL 80 HG23 VAL 80 -18.601 8.063 -1.064 618 HG21 VAL 80 HG13 VAL 80 -21.470 11.135 -1.701 619 HG22 VAL 80 HG11 VAL 80 -22.042 9.519 -1.287 620 HG23 VAL 80 HG12 VAL 80 -21.307 9.819 -2.862 621 H VAL 81 H VAL 81 -18.073 8.521 1.072 622 HA VAL 81 HA VAL 81 -15.978 10.554 1.034 623 HB VAL 81 HB VAL 81 -16.093 9.567 3.210 624 HG11 VAL 81 HG21 VAL 81 -15.869 7.159 3.611 625 HG12 VAL 81 HG22 VAL 81 -15.901 6.873 1.871 626 HG13 VAL 81 HG23 VAL 81 -17.318 7.541 2.681 627 HG21 VAL 81 HG13 VAL 81 -13.869 8.544 3.434 628 HG22 VAL 81 HG11 VAL 81 -13.847 9.976 2.406 629 HG23 VAL 81 HG12 VAL 81 -13.787 8.370 1.682 630 HA PRO 82 HA PRO 82 -14.756 8.870 -2.958 631 HB2 PRO 82 HB3 PRO 82 -12.555 10.622 -1.928 632 HB3 PRO 82 HB2 PRO 82 -13.185 10.476 -3.563 633 HG2 PRO 82 HG3 PRO 82 -13.923 12.475 -2.051 634 HG3 PRO 82 HG2 PRO 82 -15.090 11.675 -3.090 635 HD2 PRO 82 HD2 PRO 82 -14.849 11.609 -0.190 636 HD3 PRO 82 HD3 PRO 82 -16.257 11.325 -1.209 637 H LYS 83 H LYS 83 -13.687 7.003 -3.265 638 HA LYS 83 HA LYS 83 -12.223 5.751 -1.209 639 HB2 LYS 83 HB2 LYS 83 -12.468 5.157 -4.152 640 HB3 LYS 83 HB3 LYS 83 -11.506 4.173 -3.053 641 HG2 LYS 83 HG2 LYS 83 -13.471 3.685 -1.725 642 HG3 LYS 83 HG3 LYS 83 -14.455 4.707 -2.778 643 HD2 LYS 83 HD2 LYS 83 -14.775 2.393 -3.390 644 HD3 LYS 83 HD3 LYS 83 -13.896 3.220 -4.678 645 HE2 LYS 83 HE2 LYS 83 -11.798 2.288 -3.863 646 HE3 LYS 83 HE3 LYS 83 -12.646 1.503 -2.532 647 HZ1 LYS 83 HZ1 LYS 83 -13.896 0.213 -4.173 648 HZ2 LYS 83 HZ2 LYS 83 -12.236 -0.061 -4.299 649 HZ3 LYS 83 HZ3 LYS 83 -13.014 0.933 -5.425 650 HA PRO 84 HA PRO 84 -8.501 8.094 -1.553 651 HB2 PRO 84 HB3 PRO 84 -7.309 5.812 -0.116 652 HB3 PRO 84 HB2 PRO 84 -7.410 7.508 0.358 653 HG2 PRO 84 HG3 PRO 84 -8.896 5.575 1.519 654 HG3 PRO 84 HG2 PRO 84 -9.449 7.251 1.355 655 HD2 PRO 84 HD2 PRO 84 -10.257 4.826 -0.172 656 HD3 PRO 84 HD3 PRO 84 -11.193 6.272 0.241 657 H GLN 85 H GLN 85 -6.634 8.030 -2.782 658 HA GLN 85 HA GLN 85 -6.382 5.849 -4.624 659 HB2 GLN 85 HB2 GLN 85 -4.207 7.181 -5.275 660 HB3 GLN 85 HB3 GLN 85 -5.794 7.739 -5.768 661 HG2 GLN 85 HG2 GLN 85 -4.737 9.657 -5.044 662 HG3 GLN 85 HG3 GLN 85 -5.726 9.192 -3.671 663 HE21 GLN 85 HE21 GLN 85 -2.661 7.758 -4.637 664 HE22 GLN 85 HE22 GLN 85 -1.780 8.249 -3.237 665 H ARG 86 H ARG 86 -5.431 4.055 -4.262 666 HA ARG 86 HA ARG 86 -3.401 3.959 -2.140 667 HB2 ARG 86 HB2 ARG 86 -5.036 1.570 -2.952 668 HB3 ARG 86 HB3 ARG 86 -4.233 1.899 -1.414 669 HG2 ARG 86 HG2 ARG 86 -5.900 3.445 -0.772 670 HG3 ARG 86 HG3 ARG 86 -6.592 3.486 -2.390 671 HD2 ARG 86 HD2 ARG 86 -6.564 1.073 -0.588 672 HD3 ARG 86 HD3 ARG 86 -7.935 2.159 -0.795 673 HE ARG 86 HE ARG 86 -6.907 0.982 -3.233 674 HH11 ARG 86 HH11 ARG 86 -9.207 0.694 -0.606 675 HH12 ARG 86 HH12 ARG 86 -10.277 -0.344 -1.492 676 HH21 ARG 86 HH21 ARG 86 -8.312 -0.392 -4.404 677 HH22 ARG 86 HH22 ARG 86 -9.772 -0.959 -3.653 678 H HIS 87 H HIS 87 -1.716 2.402 -2.441 679 HA HIS 87 HA HIS 87 -1.185 1.882 -5.296 680 HB2 HIS 87 HB3 HIS 87 0.730 2.533 -3.054 681 HB3 HIS 87 HB2 HIS 87 1.213 2.180 -4.698 682 HD1 HIS 87 HD1 HIS 87 -0.034 3.940 -6.514 683 HD2 HIS 87 HD2 HIS 87 0.462 5.172 -2.576 684 HE1 HIS 87 HE1 HIS 87 -0.232 6.444 -6.559 685 HE2 HIS 87 HE2 HIS 87 0.253 7.175 -4.199 686 H MET 88 H MET 88 -1.416 -0.238 -5.650 687 HA MET 88 HA MET 88 -0.592 -2.091 -3.525 688 HB2 MET 88 HB3 MET 88 -2.956 -2.350 -4.044 689 HB3 MET 88 HB2 MET 88 -2.588 -2.522 -5.757 690 HG2 MET 88 HG3 MET 88 -1.295 -4.571 -5.219 691 HG3 MET 88 HG2 MET 88 -1.826 -4.423 -3.550 692 HE1 MET 88 HE1 MET 88 -4.127 -5.353 -2.666 693 HE2 MET 88 HE2 MET 88 -5.574 -5.253 -3.663 694 HE3 MET 88 HE3 MET 88 -4.641 -3.798 -3.315 695 H PHE 89 H PHE 89 1.210 -3.189 -3.855 696 HA PHE 89 HA PHE 89 2.007 -3.611 -6.645 697 HB2 PHE 89 HB3 PHE 89 3.731 -3.541 -4.161 698 HB3 PHE 89 HB2 PHE 89 4.303 -3.778 -5.808 699 HD1 PHE 89 HD1 PHE 89 2.674 -1.344 -3.555 700 HD2 PHE 89 HD2 PHE 89 4.755 -1.964 -7.199 701 HE1 PHE 89 HE1 PHE 89 2.939 1.098 -3.819 702 HE2 PHE 89 HE2 PHE 89 5.000 0.464 -7.478 703 HZ PHE 89 HZ PHE 89 4.097 1.998 -5.785 704 H SER 90 H SER 90 2.408 -5.704 -7.297 705 HA SER 90 HA SER 90 1.692 -7.772 -5.363 706 HB2 SER 90 HB3 SER 90 2.010 -7.983 -8.354 707 HB3 SER 90 HB2 SER 90 1.405 -9.241 -7.296 708 HG SER 90 HG SER 90 -0.205 -7.485 -6.697 709 H PHE 91 H PHE 91 3.187 -8.956 -4.438 710 HA PHE 91 HA PHE 91 5.928 -8.764 -5.499 711 HB2 PHE 91 HB3 PHE 91 4.954 -9.457 -2.709 712 HB3 PHE 91 HB2 PHE 91 6.640 -9.288 -3.191 713 HD1 PHE 91 HD1 PHE 91 3.467 -7.311 -3.287 714 HD2 PHE 91 HD2 PHE 91 7.662 -7.292 -2.769 715 HE1 PHE 91 HE1 PHE 91 3.394 -4.911 -2.731 716 HE2 PHE 91 HE2 PHE 91 7.594 -4.914 -2.222 717 HZ PHE 91 HZ PHE 91 5.361 -3.691 -2.331 718 H ASN 92 H ASN 92 7.315 -10.758 -4.981 719 HA ASN 92 HA ASN 92 5.771 -13.044 -5.991 720 HB2 ASN 92 HB2 ASN 92 8.710 -12.407 -6.323 721 HB3 ASN 92 HB3 ASN 92 7.881 -13.798 -7.013 722 HD21 ASN 92 HD21 ASN 92 6.431 -13.484 -8.711 723 HD22 ASN 92 HD22 ASN 92 6.434 -12.037 -9.656 724 H ASN 93 H ASN 93 7.241 -11.958 -3.246 725 HA ASN 93 HA ASN 93 7.504 -14.666 -2.207 726 HB2 ASN 93 HB2 ASN 93 9.744 -13.890 -3.095 727 HB3 ASN 93 HB3 ASN 93 9.713 -12.626 -1.876 728 HD21 ASN 93 HD21 ASN 93 11.634 -14.746 -2.190 729 HD22 ASN 93 HD22 ASN 93 11.607 -15.664 -0.723 730 H ARG 94 H ARG 94 6.678 -14.832 -0.280 731 HA ARG 94 HA ARG 94 5.370 -12.716 1.015 732 HB2 ARG 94 HB2 ARG 94 4.608 -14.998 1.229 733 HB3 ARG 94 HB3 ARG 94 6.117 -15.465 1.974 734 HG2 ARG 94 HG2 ARG 94 4.398 -15.315 3.636 735 HG3 ARG 94 HG3 ARG 94 5.604 -14.051 3.898 736 HD2 ARG 94 HD2 ARG 94 4.192 -12.425 2.872 737 HD3 ARG 94 HD3 ARG 94 3.015 -13.654 2.435 738 HE ARG 94 HE ARG 94 2.175 -13.574 4.557 739 HH11 ARG 94 HH11 ARG 94 5.315 -12.020 4.547 740 HH12 ARG 94 HH12 ARG 94 5.182 -11.458 6.186 741 HH21 ARG 94 HH21 ARG 94 2.020 -12.850 6.724 742 HH22 ARG 94 HH22 ARG 94 3.325 -11.953 7.424 743 H THR 95 H THR 95 8.600 -13.963 1.308 744 HA THR 95 HA THR 95 9.158 -12.796 3.859 745 HB THR 95 HB THR 95 11.107 -13.581 1.686 746 HG1 THR 95 HG1 THR 95 9.604 -15.063 3.488 747 HG21 THR 95 HG21 THR 95 12.023 -12.108 3.405 748 HG22 THR 95 HG22 THR 95 12.709 -13.733 3.523 749 HG23 THR 95 HG23 THR 95 11.461 -13.212 4.658 750 H VAL 96 H VAL 96 10.357 -11.991 0.619 751 HA VAL 96 HA VAL 96 11.460 -9.543 0.953 752 HB VAL 96 HB VAL 96 9.591 -10.282 -1.317 753 HG11 VAL 96 HG21 VAL 96 10.160 -7.893 -1.213 754 HG12 VAL 96 HG22 VAL 96 10.873 -8.674 -2.627 755 HG13 VAL 96 HG23 VAL 96 11.876 -8.302 -1.226 756 HG21 VAL 96 HG13 VAL 96 11.371 -11.956 -0.924 757 HG22 VAL 96 HG11 VAL 96 12.577 -10.686 -1.101 758 HG23 VAL 96 HG12 VAL 96 11.553 -11.122 -2.467 759 H MET 97 H MET 97 8.016 -10.086 0.180 760 HA MET 97 HA MET 97 7.354 -7.358 0.357 761 HB2 MET 97 HB3 MET 97 5.085 -8.033 0.184 762 HB3 MET 97 HB2 MET 97 6.044 -9.122 -0.813 763 HG2 MET 97 HG3 MET 97 5.125 -10.836 0.212 764 HG3 MET 97 HG2 MET 97 5.836 -10.303 1.735 765 HE1 MET 97 HE1 MET 97 2.992 -9.116 3.779 766 HE2 MET 97 HE2 MET 97 4.517 -8.388 3.277 767 HE3 MET 97 HE3 MET 97 4.454 -10.099 3.692 768 H ASP 98 H ASP 98 7.615 -9.873 2.817 769 HA ASP 98 HA ASP 98 6.195 -8.429 4.853 770 HB2 ASP 98 HB2 ASP 98 6.663 -10.881 4.973 771 HB3 ASP 98 HB3 ASP 98 8.370 -10.506 5.205 772 H ASN 99 H ASN 99 9.398 -8.486 3.613 773 HA ASN 99 HA ASN 99 10.626 -6.957 5.694 774 HB2 ASN 99 HB2 ASN 99 11.439 -7.511 2.825 775 HB3 ASN 99 HB3 ASN 99 12.477 -6.755 4.021 776 HD21 ASN 99 HD21 ASN 99 12.572 -9.337 2.469 777 HD22 ASN 99 HD22 ASN 99 12.878 -10.532 3.676 778 H ILE 100 H ILE 100 9.298 -6.335 2.522 779 HA ILE 100 HA ILE 100 9.784 -3.571 2.366 780 HB ILE 100 HB ILE 100 7.587 -5.268 1.152 781 HG12 ILE 100 HG13 ILE 100 9.894 -5.885 0.536 782 HG13 ILE 100 HG12 ILE 100 8.994 -5.247 -0.838 783 HG21 ILE 100 HG21 ILE 100 7.055 -3.509 -0.307 784 HG22 ILE 100 HG22 ILE 100 8.492 -2.599 0.133 785 HG23 ILE 100 HG23 ILE 100 7.163 -2.745 1.282 786 HD11 ILE 100 HD11 ILE 100 11.194 -4.336 -0.874 787 HD12 ILE 100 HD12 ILE 100 11.059 -3.817 0.806 788 HD13 ILE 100 HD13 ILE 100 10.065 -3.051 -0.434 789 H LYS 101 H LYS 101 6.773 -5.297 3.407 790 HA LYS 101 HA LYS 101 5.321 -3.014 3.932 791 HB2 LYS 101 HB2 LYS 101 4.021 -4.554 5.444 792 HB3 LYS 101 HB3 LYS 101 4.096 -4.971 3.747 793 HG2 LYS 101 HG2 LYS 101 5.153 -6.838 4.163 794 HG3 LYS 101 HG3 LYS 101 6.242 -6.079 5.302 795 HD2 LYS 101 HD2 LYS 101 3.444 -6.591 6.155 796 HD3 LYS 101 HD3 LYS 101 4.563 -7.953 6.073 797 HE2 LYS 101 HE2 LYS 101 6.143 -6.286 7.397 798 HE3 LYS 101 HE3 LYS 101 4.587 -5.568 7.857 799 HZ1 LYS 101 HZ1 LYS 101 3.865 -7.725 8.672 800 HZ2 LYS 101 HZ2 LYS 101 5.285 -7.241 9.450 801 HZ3 LYS 101 HZ3 LYS 101 5.347 -8.417 8.233 802 H MET 102 H MET 102 7.449 -4.947 6.015 803 HA MET 102 HA MET 102 6.651 -3.721 8.443 804 HB2 MET 102 HB3 MET 102 8.362 -4.953 9.487 805 HB3 MET 102 HB2 MET 102 7.919 -5.963 8.114 806 HG2 MET 102 HG3 MET 102 9.799 -5.325 6.896 807 HG3 MET 102 HG2 MET 102 10.149 -4.006 7.991 808 HE1 MET 102 HE1 MET 102 10.795 -8.461 8.882 809 HE2 MET 102 HE2 MET 102 10.370 -7.794 7.307 810 HE3 MET 102 HE3 MET 102 9.202 -7.751 8.624 811 H THR 103 H THR 103 8.945 -3.046 5.968 812 HA THR 103 HA THR 103 10.471 -1.067 7.255 813 HB THR 103 HB THR 103 9.826 -1.579 4.345 814 HG1 THR 103 HG1 THR 103 11.175 -3.159 4.932 815 HG21 THR 103 HG21 THR 103 11.878 0.281 5.495 816 HG22 THR 103 HG22 THR 103 10.393 0.759 4.661 817 HG23 THR 103 HG23 THR 103 11.663 -0.121 3.789 818 H LEU 104 H LEU 104 7.675 -0.907 5.080 819 HA LEU 104 HA LEU 104 7.472 1.912 5.206 820 HB2 LEU 104 HB2 LEU 104 5.358 -0.108 4.441 821 HB3 LEU 104 HB3 LEU 104 5.297 1.609 4.116 822 HG LEU 104 HG LEU 104 7.535 -0.008 2.982 823 HD11 LEU 104 HD11 LEU 104 6.147 -0.269 0.935 824 HD12 LEU 104 HD12 LEU 104 4.746 0.171 1.914 825 HD13 LEU 104 HD13 LEU 104 5.667 -1.284 2.292 826 HD21 LEU 104 HD21 LEU 104 6.021 2.370 2.005 827 HD22 LEU 104 HD22 LEU 104 7.464 1.668 1.265 828 HD23 LEU 104 HD23 LEU 104 7.568 2.432 2.851 829 H GLN 105 H GLN 105 5.360 -0.621 6.522 830 HA GLN 105 HA GLN 105 3.616 0.937 7.947 831 HB2 GLN 105 HB2 GLN 105 4.685 -1.768 8.734 832 HB3 GLN 105 HB3 GLN 105 3.255 -1.020 9.435 833 HG2 GLN 105 HG2 GLN 105 2.157 -1.028 7.300 834 HG3 GLN 105 HG3 GLN 105 3.614 -1.634 6.528 835 HE21 GLN 105 HE21 GLN 105 0.973 -2.718 6.501 836 HE22 GLN 105 HE22 GLN 105 1.088 -4.322 7.146 837 H GLN 106 H GLN 106 6.922 0.221 8.845 838 HA GLN 106 HA GLN 106 6.696 1.037 11.547 839 HB2 GLN 106 HB2 GLN 106 8.886 0.601 9.616 840 HB3 GLN 106 HB3 GLN 106 9.236 1.578 11.016 841 HG2 GLN 106 HG2 GLN 106 8.459 -0.274 12.453 842 HG3 GLN 106 HG3 GLN 106 8.234 -1.249 11.001 843 HE21 GLN 106 HE21 GLN 106 10.029 -1.936 9.850 844 HE22 GLN 106 HE22 GLN 106 11.615 -1.955 10.544 845 H ILE 107 H ILE 107 7.685 2.592 8.569 846 HA ILE 107 HA ILE 107 8.141 5.210 9.493 847 HB ILE 107 HB ILE 107 7.056 4.288 6.818 848 HG12 ILE 107 HG13 ILE 107 9.936 4.859 7.448 849 HG13 ILE 107 HG12 ILE 107 9.256 3.252 7.635 850 HG21 ILE 107 HG21 ILE 107 6.748 6.636 7.114 851 HG22 ILE 107 HG22 ILE 107 8.059 6.366 5.971 852 HG23 ILE 107 HG23 ILE 107 8.424 6.836 7.629 853 HD11 ILE 107 HD11 ILE 107 8.620 3.334 5.235 854 HD12 ILE 107 HD12 ILE 107 10.354 3.380 5.529 855 HD13 ILE 107 HD13 ILE 107 9.491 4.859 5.108 856 H ILE 108 H ILE 108 5.254 3.580 8.256 857 HA ILE 108 HA ILE 108 3.614 5.862 8.131 858 HB ILE 108 HB ILE 108 2.613 3.069 8.675 859 HG12 ILE 108 HG13 ILE 108 4.141 4.171 6.417 860 HG13 ILE 108 HG12 ILE 108 3.973 2.512 6.944 861 HG21 ILE 108 HG21 ILE 108 1.494 5.413 7.137 862 HG22 ILE 108 HG22 ILE 108 0.885 4.747 8.653 863 HG23 ILE 108 HG23 ILE 108 0.776 3.801 7.168 864 HD11 ILE 108 HD11 ILE 108 1.681 2.554 5.884 865 HD12 ILE 108 HD12 ILE 108 3.071 2.609 4.799 866 HD13 ILE 108 HD13 ILE 108 2.171 4.086 5.152 867 H SER 109 H SER 109 3.554 3.288 10.625 868 HA SER 109 HA SER 109 2.084 4.649 12.519 869 HB2 SER 109 HB3 SER 109 4.399 2.789 13.112 870 HB3 SER 109 HB2 SER 109 3.000 3.110 14.140 871 HG SER 109 HG SER 109 3.263 1.362 12.083 872 H ARG 110 H ARG 110 5.444 5.035 11.661 873 HA ARG 110 HA ARG 110 6.240 6.632 13.862 874 HB2 ARG 110 HB2 ARG 110 7.296 6.042 11.156 875 HB3 ARG 110 HB3 ARG 110 7.986 7.392 12.004 876 HG2 ARG 110 HG2 ARG 110 8.628 5.916 13.814 877 HG3 ARG 110 HG3 ARG 110 7.836 4.577 12.974 878 HD2 ARG 110 HD2 ARG 110 9.347 4.888 11.079 879 HD3 ARG 110 HD3 ARG 110 10.158 6.179 11.945 880 HE ARG 110 HE ARG 110 10.295 4.011 13.617 881 HH11 ARG 110 HH11 ARG 110 11.335 4.725 10.347 882 HH12 ARG 110 HH12 ARG 110 12.642 3.587 10.378 883 HH21 ARG 110 HH21 ARG 110 12.023 2.518 13.664 884 HH22 ARG 110 HH22 ARG 110 13.031 2.330 12.264 885 H TYR 111 H TYR 111 4.292 7.195 11.136 886 HA TYR 111 HA TYR 111 4.513 10.079 11.514 887 HB2 TYR 111 HB3 TYR 111 3.816 8.407 9.158 888 HB3 TYR 111 HB2 TYR 111 3.109 10.010 9.285 889 HD1 TYR 111 HD2 TYR 111 4.725 11.994 9.612 890 HD2 TYR 111 HD1 TYR 111 5.967 8.131 8.408 891 HE1 TYR 111 HE2 TYR 111 6.835 12.946 8.773 892 HE2 TYR 111 HE1 TYR 111 8.088 9.052 7.563 893 HH TYR 111 HH TYR 111 9.122 12.212 8.296 894 H LYS 112 H LYS 112 2.722 7.443 12.310 895 HA LYS 112 HA LYS 112 0.111 8.610 12.446 896 HB2 LYS 112 HB2 LYS 112 1.424 6.135 13.335 897 HB3 LYS 112 HB3 LYS 112 0.131 6.678 14.380 898 HG2 LYS 112 HG2 LYS 112 -0.916 5.243 12.903 899 HG3 LYS 112 HG3 LYS 112 -1.206 6.848 12.277 900 HD2 LYS 112 HD2 LYS 112 1.130 5.405 11.235 901 HD3 LYS 112 HD3 LYS 112 -0.464 4.900 10.683 902 HE2 LYS 112 HE2 LYS 112 0.700 7.660 10.545 903 HE3 LYS 112 HE3 LYS 112 0.511 6.558 9.186 904 HZ1 LYS 112 HZ1 LYS 112 -1.699 7.739 10.786 905 HZ2 LYS 112 HZ2 LYS 112 -1.895 6.633 9.525 906 HZ3 LYS 112 HZ3 LYS 112 -1.273 8.170 9.207 907 H ASP 113 H ASP 113 2.857 8.250 14.531 908 HA ASP 113 HA ASP 113 1.784 9.470 16.846 909 HB2 ASP 113 HB2 ASP 113 3.783 8.171 17.047 910 HB3 ASP 113 HB3 ASP 113 4.605 9.119 15.817 911 H ALA 114 H ALA 114 2.461 10.698 13.813 912 HA ALA 114 HA ALA 114 2.487 13.445 14.850 913 HB1 ALA 114 HB1 ALA 114 4.116 14.113 13.165 914 HB2 ALA 114 HB2 ALA 114 4.229 12.447 12.598 915 HB3 ALA 114 HB3 ALA 114 4.783 12.866 14.219 916 H ASP 115 H ASP 115 0.358 11.722 13.753 917 HA ASP 115 HA ASP 115 -0.189 13.108 11.219 918 HB2 ASP 115 HB2 ASP 115 -0.270 10.550 11.353 919 HB3 ASP 115 HB3 ASP 115 -1.745 10.760 12.289 920 H1 GLY 242 H1 GLY 242 -9.043 12.265 -24.685 921 H2 GLY 242 H2 GLY 242 -8.650 12.764 -23.116 922 H3 GLY 242 H3 GLY 242 -9.949 11.713 -23.373 923 HA2 GLY 242 HA2 GLY 242 -7.111 11.074 -23.930 924 HA3 GLY 242 HA3 GLY 242 -8.002 10.547 -22.509 925 H GLY 243 H GLY 243 -6.769 8.790 -24.336 926 HA2 GLY 243 HA3 GLY 243 -9.040 7.132 -24.948 927 HA3 GLY 243 HA2 GLY 243 -8.212 7.728 -26.379 928 H GLY 244 H GLY 244 -8.439 5.142 -24.442 929 HA2 GLY 244 HA3 GLY 244 -6.874 3.352 -25.314 930 HA3 GLY 244 HA2 GLY 244 -5.595 4.430 -24.783 931 H GLY 245 H GLY 245 -4.895 4.305 -22.742 932 HA2 GLY 245 HA3 GLY 245 -5.998 2.212 -21.075 933 HA3 GLY 245 HA2 GLY 245 -4.549 3.153 -20.753 934 H TYR 246 H TYR 246 -7.955 4.018 -21.258 935 HA TYR 246 HA TYR 246 -8.126 4.968 -18.514 936 HB2 TYR 246 HB3 TYR 246 -7.285 6.885 -19.925 937 HB3 TYR 246 HB2 TYR 246 -8.787 6.802 -20.834 938 HD1 TYR 246 HD1 TYR 246 -7.696 6.991 -17.255 939 HD2 TYR 246 HD2 TYR 246 -10.428 8.305 -20.241 940 HE1 TYR 246 HE1 TYR 246 -8.747 8.496 -15.622 941 HE2 TYR 246 HE2 TYR 246 -11.487 9.814 -18.612 942 HH TYR 246 HH TYR 246 -11.727 10.070 -16.213 943 H ASP 247 H ASP 247 -9.261 2.807 -20.138 944 HA ASP 247 HA ASP 247 -12.074 3.615 -20.296 945 HB2 ASP 247 HB2 ASP 247 -11.044 2.409 -22.243 946 HB3 ASP 247 HB3 ASP 247 -10.847 1.003 -21.199 947 H VAL 248 H VAL 248 -12.478 3.707 -18.100 948 HA VAL 248 HA VAL 248 -13.033 2.990 -16.021 949 HB VAL 248 HB VAL 248 -13.554 0.337 -17.378 950 HG11 VAL 248 HG21 VAL 248 -13.559 0.223 -14.930 951 HG12 VAL 248 HG22 VAL 248 -15.174 -0.021 -15.594 952 HG13 VAL 248 HG23 VAL 248 -14.741 1.530 -14.875 953 HG21 VAL 248 HG13 VAL 248 -14.698 2.134 -18.549 954 HG22 VAL 248 HG11 VAL 248 -15.381 2.710 -17.030 955 HG23 VAL 248 HG12 VAL 248 -15.854 1.134 -17.667 956 H GLU 249 H GLU 249 -10.585 3.237 -15.818 957 HA GLU 249 HA GLU 249 -9.423 0.666 -14.993 958 HB2 GLU 249 HB2 GLU 249 -8.324 2.025 -16.894 959 HB3 GLU 249 HB3 GLU 249 -7.811 3.129 -15.625 960 HG2 GLU 249 HG3 GLU 249 -6.486 1.480 -14.589 961 HG3 GLU 249 HG2 GLU 249 -7.210 0.190 -15.547 962 H MET 250 H MET 250 -7.784 0.941 -13.195 963 HA MET 250 HA MET 250 -7.175 1.604 -11.086 964 HB2 MET 250 HB3 MET 250 -9.176 3.846 -11.455 965 HB3 MET 250 HB2 MET 250 -8.258 3.586 -9.979 966 HG2 MET 250 HG3 MET 250 -6.178 3.923 -11.220 967 HG3 MET 250 HG2 MET 250 -7.110 4.202 -12.690 968 HE1 MET 250 HE1 MET 250 -5.746 7.776 -11.775 969 HE2 MET 250 HE2 MET 250 -5.822 6.524 -13.016 970 HE3 MET 250 HE3 MET 250 -4.918 6.238 -11.529 971 H GLU 251 H GLU 251 -9.393 0.025 -12.192 972 HA GLU 251 HA GLU 251 -11.355 -0.097 -10.076 973 HB2 GLU 251 HB2 GLU 251 -12.178 -0.321 -12.290 974 HB3 GLU 251 HB3 GLU 251 -10.943 -1.497 -12.707 975 HG2 GLU 251 HG3 GLU 251 -12.004 -3.174 -11.376 976 HG3 GLU 251 HG2 GLU 251 -13.124 -1.995 -10.691 977 H SER 252 H SER 252 -11.542 -1.755 -8.624 978 HA SER 252 HA SER 252 -9.082 -3.122 -8.011 979 HB2 SER 252 HB3 SER 252 -11.739 -2.978 -6.585 980 HB3 SER 252 HB2 SER 252 -10.304 -3.757 -5.929 981 HG SER 252 HG SER 252 -9.231 -1.679 -6.179 982 H GLU 253 H GLU 253 -9.325 -4.401 -10.058 983 HA GLU 253 HA GLU 253 -11.219 -6.576 -10.050 984 HB2 GLU 253 HB2 GLU 253 -8.760 -6.156 -11.760 985 HB3 GLU 253 HB3 GLU 253 -10.054 -7.303 -12.070 986 HG2 GLU 253 HG3 GLU 253 -11.619 -5.505 -12.430 987 HG3 GLU 253 HG2 GLU 253 -10.390 -4.317 -11.998 988 H GLU 254 H GLU 254 -7.685 -6.400 -9.978 989 HA GLU 254 HA GLU 254 -7.439 -9.086 -8.948 990 HB2 GLU 254 HB2 GLU 254 -4.995 -8.576 -8.910 991 HB3 GLU 254 HB3 GLU 254 -5.738 -8.353 -10.483 992 HG2 GLU 254 HG3 GLU 254 -5.215 -6.098 -8.566 993 HG3 GLU 254 HG2 GLU 254 -4.068 -6.618 -9.798 994 H GLU 255 H GLU 255 -7.742 -5.938 -7.713 995 HA GLU 255 HA GLU 255 -6.437 -6.282 -5.216 996 HB2 GLU 255 HB2 GLU 255 -8.576 -4.365 -6.093 997 HB3 GLU 255 HB3 GLU 255 -7.776 -4.289 -4.538 998 HG2 GLU 255 HG3 GLU 255 -5.608 -4.124 -5.902 999 HG3 GLU 255 HG2 GLU 255 -6.673 -3.749 -7.259 1000 H SER 256 H SER 256 -9.242 -7.585 -6.416 1001 HA SER 256 HA SER 256 -11.077 -8.613 -5.629 1002 HB2 SER 256 HB3 SER 256 -10.959 -9.805 -3.506 1003 HB3 SER 256 HB2 SER 256 -9.441 -9.974 -4.376 1004 HG SER 256 HG SER 256 -8.942 -7.958 -2.954 1005 H ASP 257 H ASP 257 -12.327 -8.550 -3.047 1006 HA ASP 257 HA ASP 257 -13.687 -6.074 -3.462 1007 HB2 ASP 257 HB2 ASP 257 -15.249 -6.807 -1.746 1008 HB3 ASP 257 HB3 ASP 257 -14.935 -8.103 -2.891 1009 H ASP 258 H ASP 258 -12.130 -7.359 -0.459 1010 HA ASP 258 HA ASP 258 -11.834 -4.611 0.465 1011 HB2 ASP 258 HB2 ASP 258 -10.995 -7.243 1.692 1012 HB3 ASP 258 HB3 ASP 258 -10.608 -5.688 2.410 1013 H ASP 259 H ASP 259 -9.572 -7.288 0.293 1014 HA ASP 259 HA ASP 259 -7.672 -6.400 -1.435 1015 HB2 ASP 259 HB2 ASP 259 -5.948 -5.340 -0.052 1016 HB3 ASP 259 HB3 ASP 259 -7.423 -4.385 -0.054 1017 H GLY 260 H GLY 260 -8.134 -7.734 1.806 1018 HA2 GLY 260 HA3 GLY 260 -7.900 -10.005 2.336 1019 HA3 GLY 260 HA2 GLY 260 -6.992 -10.232 0.850 1020 H PHE 261 H PHE 261 -5.805 -7.562 2.421 1021 HA PHE 261 HA PHE 261 -3.502 -9.097 3.345 1022 HB2 PHE 261 HB3 PHE 261 -3.730 -6.122 2.934 1023 HB3 PHE 261 HB2 PHE 261 -2.252 -7.049 3.137 1024 HD1 PHE 261 HD2 PHE 261 -3.431 -9.299 1.180 1025 HD2 PHE 261 HD1 PHE 261 -2.805 -5.100 0.937 1026 HE1 PHE 261 HE2 PHE 261 -3.259 -9.466 -1.267 1027 HE2 PHE 261 HE1 PHE 261 -2.627 -5.262 -1.502 1028 HZ PHE 261 HZ PHE 261 -2.858 -7.445 -2.612 1029 H VAL 262 H VAL 262 -2.312 -7.794 5.201 1030 HA VAL 262 HA VAL 262 -4.262 -6.784 7.157 1031 HB VAL 262 HB VAL 262 -3.607 -9.135 7.727 1032 HG11 VAL 262 HG21 VAL 262 -1.355 -9.557 8.596 1033 HG12 VAL 262 HG22 VAL 262 -0.865 -7.939 8.091 1034 HG13 VAL 262 HG23 VAL 262 -1.335 -9.136 6.884 1035 HG21 VAL 262 HG13 VAL 262 -2.730 -6.992 9.658 1036 HG22 VAL 262 HG11 VAL 262 -3.065 -8.670 10.086 1037 HG23 VAL 262 HG12 VAL 262 -4.359 -7.641 9.473 1038 H GLU 263 H GLU 263 -3.448 -5.164 8.556 1039 HA GLU 263 HA GLU 263 -0.895 -4.030 7.646 1040 HB2 GLU 263 HB2 GLU 263 -1.717 -1.842 8.298 1041 HB3 GLU 263 HB3 GLU 263 -2.824 -2.596 7.166 1042 HG2 GLU 263 HG3 GLU 263 -3.223 -2.467 10.143 1043 HG3 GLU 263 HG2 GLU 263 -3.936 -1.364 8.972 1044 H VAL 264 H VAL 264 0.716 -3.812 9.039 1045 HA VAL 264 HA VAL 264 0.220 -4.633 11.807 1046 HB VAL 264 HB VAL 264 2.815 -4.545 10.242 1047 HG11 VAL 264 HG21 VAL 264 2.270 -5.543 13.042 1048 HG12 VAL 264 HG22 VAL 264 3.192 -4.101 12.617 1049 HG13 VAL 264 HG23 VAL 264 3.796 -5.698 12.173 1050 HG21 VAL 264 HG13 VAL 264 1.312 -6.330 9.516 1051 HG22 VAL 264 HG11 VAL 264 1.140 -6.876 11.184 1052 HG23 VAL 264 HG12 VAL 264 2.703 -6.994 10.375 1053 H ASP 265 H ASP 265 -0.258 -2.874 12.964 1054 HA ASP 265 HA ASP 265 1.525 -0.554 12.754 1055 HB2 ASP 265 HB2 ASP 265 -0.212 0.778 13.780 1056 HB3 ASP 265 HB3 ASP 265 -0.892 -0.078 12.419 Start of MODEL 3 1 H2 PRO 1 H2 PRO 1 18.515 -3.723 4.220 2 H3 PRO 1 H3 PRO 1 17.742 -5.091 4.668 3 HA PRO 1 HA PRO 1 18.311 -4.060 2.113 4 HB2 PRO 1 HB3 PRO 1 18.018 -6.882 1.775 5 HB3 PRO 1 HB2 PRO 1 19.339 -5.841 1.227 6 HG2 PRO 1 HG3 PRO 1 19.124 -7.475 3.682 7 HG3 PRO 1 HG2 PRO 1 20.569 -6.958 2.795 8 HD2 PRO 1 HD2 PRO 1 19.953 -5.863 5.149 9 HD3 PRO 1 HD3 PRO 1 20.609 -4.868 3.836 10 H SER 2 H SER 2 16.287 -4.140 4.347 11 HA SER 2 HA SER 2 14.104 -5.668 3.181 12 HB2 SER 2 HB3 SER 2 12.859 -4.776 5.201 13 HB3 SER 2 HB2 SER 2 14.249 -5.791 5.568 14 HG SER 2 HG SER 2 13.810 -3.415 6.483 15 H HIS 3 H HIS 3 15.425 -2.575 3.024 16 HA HIS 3 HA HIS 3 12.934 -1.144 2.662 17 HB2 HIS 3 HB3 HIS 3 15.846 -0.389 2.711 18 HB3 HIS 3 HB2 HIS 3 14.662 0.737 2.065 19 HD1 HIS 3 HD1 HIS 3 14.937 -1.321 5.279 20 HD2 HIS 3 HD2 HIS 3 13.931 2.483 3.944 21 HE1 HIS 3 HE1 HIS 3 14.361 -0.008 7.345 22 HE2 HIS 3 HE2 HIS 3 13.879 2.330 6.524 23 H SER 4 H SER 4 14.018 -3.261 0.740 24 HA SER 4 HA SER 4 13.148 -1.959 -1.645 25 HB2 SER 4 HB3 SER 4 15.214 -2.268 -2.960 26 HB3 SER 4 HB2 SER 4 15.422 -1.105 -1.650 27 HG SER 4 HG SER 4 16.068 -3.806 -1.201 28 H GLY 5 H GLY 5 12.526 -3.404 -3.194 29 HA2 GLY 5 HA3 GLY 5 13.358 -6.084 -3.408 30 HA3 GLY 5 HA2 GLY 5 11.902 -6.015 -2.417 31 H ALA 6 H ALA 6 12.306 -7.130 -5.141 32 HA ALA 6 HA ALA 6 11.235 -5.291 -7.000 33 HB1 ALA 6 HB1 ALA 6 11.307 -8.289 -7.245 34 HB2 ALA 6 HB2 ALA 6 12.641 -7.203 -7.643 35 HB3 ALA 6 HB3 ALA 6 11.137 -7.114 -8.553 36 H ALA 7 H ALA 7 9.154 -5.102 -7.861 37 HA ALA 7 HA ALA 7 7.011 -6.820 -6.916 38 HB1 ALA 7 HB1 ALA 7 6.922 -3.855 -6.365 39 HB2 ALA 7 HB2 ALA 7 7.138 -5.117 -5.151 40 HB3 ALA 7 HB3 ALA 7 5.628 -5.016 -6.061 41 H ILE 8 H ILE 8 5.063 -6.537 -8.074 42 HA ILE 8 HA ILE 8 5.386 -5.428 -10.775 43 HB ILE 8 HB ILE 8 3.340 -7.292 -9.541 44 HG12 ILE 8 HG13 ILE 8 4.093 -8.863 -11.315 45 HG13 ILE 8 HG12 ILE 8 5.327 -7.707 -11.781 46 HG21 ILE 8 HG21 ILE 8 2.204 -5.760 -11.041 47 HG22 ILE 8 HG22 ILE 8 2.233 -7.397 -11.701 48 HG23 ILE 8 HG23 ILE 8 3.338 -6.172 -12.329 49 HD11 ILE 8 HD11 ILE 8 5.109 -9.133 -9.146 50 HD12 ILE 8 HD12 ILE 8 6.326 -7.921 -9.544 51 HD13 ILE 8 HD13 ILE 8 6.280 -9.448 -10.425 52 H PHE 9 H PHE 9 4.324 -3.679 -11.440 53 HA PHE 9 HA PHE 9 2.006 -2.788 -9.919 54 HB2 PHE 9 HB3 PHE 9 3.978 -1.532 -9.081 55 HB3 PHE 9 HB2 PHE 9 4.277 -0.957 -10.714 56 HD1 PHE 9 HD1 PHE 9 1.841 -0.870 -7.938 57 HD2 PHE 9 HD2 PHE 9 3.210 0.950 -11.527 58 HE1 PHE 9 HE1 PHE 9 0.413 1.075 -7.493 59 HE2 PHE 9 HE2 PHE 9 1.772 2.893 -11.091 60 HZ PHE 9 HZ PHE 9 0.371 2.961 -9.072 61 H GLU 10 H GLU 10 0.374 -2.464 -11.281 62 HA GLU 10 HA GLU 10 -0.830 -2.184 -13.170 63 HB2 GLU 10 HB2 GLU 10 1.605 -0.681 -14.158 64 HB3 GLU 10 HB3 GLU 10 0.027 -0.685 -14.934 65 HG2 GLU 10 HG3 GLU 10 -0.961 0.364 -12.989 66 HG3 GLU 10 HG2 GLU 10 0.592 0.316 -12.161 67 H LYS 11 H LYS 11 0.574 -4.506 -12.770 68 HA LYS 11 HA LYS 11 0.623 -6.495 -13.807 69 HB2 LYS 11 HB2 LYS 11 0.092 -5.068 -16.397 70 HB3 LYS 11 HB3 LYS 11 -0.128 -6.785 -16.067 71 HG2 LYS 11 HG2 LYS 11 -1.598 -4.570 -14.700 72 HG3 LYS 11 HG3 LYS 11 -2.244 -5.535 -16.013 73 HD2 LYS 11 HD2 LYS 11 -2.490 -7.361 -14.688 74 HD3 LYS 11 HD3 LYS 11 -1.215 -6.882 -13.589 75 HE2 LYS 11 HE2 LYS 11 -2.687 -5.029 -12.838 76 HE3 LYS 11 HE3 LYS 11 -3.976 -5.725 -13.815 77 HZ1 LYS 11 HZ1 LYS 11 -2.585 -7.135 -11.603 78 HZ2 LYS 11 HZ2 LYS 11 -3.891 -7.723 -12.502 79 HZ3 LYS 11 HZ3 LYS 11 -4.100 -6.398 -11.474 80 H VAL 12 H VAL 12 2.792 -4.049 -14.444 81 HA VAL 12 HA VAL 12 4.606 -5.837 -15.885 82 HB VAL 12 HB VAL 12 4.736 -3.774 -16.966 83 HG11 VAL 12 HG21 VAL 12 4.738 -2.436 -14.265 84 HG12 VAL 12 HG22 VAL 12 3.408 -2.459 -15.426 85 HG13 VAL 12 HG23 VAL 12 4.904 -1.607 -15.814 86 HG21 VAL 12 HG13 VAL 12 6.962 -4.494 -16.497 87 HG22 VAL 12 HG11 VAL 12 6.890 -3.829 -14.861 88 HG23 VAL 12 HG12 VAL 12 6.914 -2.746 -16.262 89 H SER 13 H SER 13 6.346 -6.714 -14.969 90 HA SER 13 HA SER 13 6.674 -6.595 -12.141 91 HB2 SER 13 HB3 SER 13 8.741 -8.018 -12.682 92 HB3 SER 13 HB2 SER 13 7.170 -8.687 -13.124 93 HG SER 13 HG SER 13 8.330 -8.941 -14.928 94 H GLY 14 H GLY 14 7.924 -5.344 -10.964 95 HA2 GLY 14 HA3 GLY 14 10.182 -3.983 -12.193 96 HA3 GLY 14 HA2 GLY 14 8.915 -2.983 -11.514 97 H ILE 15 H ILE 15 10.560 -2.143 -10.101 98 HA ILE 15 HA ILE 15 11.119 -3.944 -7.875 99 HB ILE 15 HB ILE 15 12.948 -1.722 -8.681 100 HG12 ILE 15 HG13 ILE 15 12.710 -3.418 -10.506 101 HG13 ILE 15 HG12 ILE 15 14.326 -3.265 -9.867 102 HG21 ILE 15 HG21 ILE 15 13.374 -4.161 -6.968 103 HG22 ILE 15 HG22 ILE 15 13.183 -2.506 -6.391 104 HG23 ILE 15 HG23 ILE 15 14.595 -2.952 -7.348 105 HD11 ILE 15 HD11 ILE 15 13.690 -5.561 -10.359 106 HD12 ILE 15 HD12 ILE 15 12.389 -5.436 -9.171 107 HD13 ILE 15 HD13 ILE 15 14.071 -5.317 -8.651 108 H ILE 16 H ILE 16 11.254 -2.996 -5.819 109 HA ILE 16 HA ILE 16 10.036 -0.322 -5.602 110 HB ILE 16 HB ILE 16 9.018 -2.821 -4.639 111 HG12 ILE 16 HG13 ILE 16 8.072 0.023 -4.252 112 HG13 ILE 16 HG12 ILE 16 7.749 -0.972 -5.664 113 HG21 ILE 16 HG21 ILE 16 8.574 -2.225 -2.293 114 HG22 ILE 16 HG22 ILE 16 9.619 -0.811 -2.462 115 HG23 ILE 16 HG23 ILE 16 10.299 -2.434 -2.599 116 HD11 ILE 16 HD11 ILE 16 6.833 -1.558 -2.860 117 HD12 ILE 16 HD12 ILE 16 6.483 -2.529 -4.290 118 HD13 ILE 16 HD13 ILE 16 5.839 -0.893 -4.156 119 H ALA 17 H ALA 17 11.085 1.069 -4.309 120 HA ALA 17 HA ALA 17 12.990 -0.020 -2.364 121 HB1 ALA 17 HB1 ALA 17 14.619 1.733 -2.993 122 HB2 ALA 17 HB2 ALA 17 13.597 2.128 -4.382 123 HB3 ALA 17 HB3 ALA 17 14.332 0.524 -4.243 124 H ILE 18 H ILE 18 12.162 0.601 -0.492 125 HA ILE 18 HA ILE 18 11.055 3.224 -0.043 126 HB ILE 18 HB ILE 18 11.841 1.244 2.078 127 HG12 ILE 18 HG13 ILE 18 9.193 0.913 1.988 128 HG13 ILE 18 HG12 ILE 18 9.468 1.272 0.286 129 HG21 ILE 18 HG21 ILE 18 11.465 3.568 2.783 130 HG22 ILE 18 HG22 ILE 18 10.248 2.465 3.446 131 HG23 ILE 18 HG23 ILE 18 9.844 3.505 2.080 132 HD11 ILE 18 HD11 ILE 18 10.827 -0.901 1.844 133 HD12 ILE 18 HD12 ILE 18 11.021 -0.558 0.125 134 HD13 ILE 18 HD13 ILE 18 9.470 -1.111 0.744 135 H ASN 19 H ASN 19 12.464 4.877 0.120 136 HA ASN 19 HA ASN 19 15.025 4.347 1.466 137 HB2 ASN 19 HB2 ASN 19 15.655 4.961 -0.689 138 HB3 ASN 19 HB3 ASN 19 14.306 6.078 -0.866 139 HD21 ASN 19 HD21 ASN 19 14.502 8.150 -0.175 140 HD22 ASN 19 HD22 ASN 19 15.997 8.846 0.349 141 H GLU 20 H GLU 20 15.185 5.250 3.468 142 HA GLU 20 HA GLU 20 13.854 7.871 3.659 143 HB2 GLU 20 HB2 GLU 20 15.151 6.404 5.950 144 HB3 GLU 20 HB3 GLU 20 13.906 7.637 6.014 145 HG2 GLU 20 HG3 GLU 20 12.251 6.130 5.327 146 HG3 GLU 20 HG2 GLU 20 13.432 4.931 4.820 147 H ASP 21 H ASP 21 15.707 8.471 2.192 148 HA ASP 21 HA ASP 21 17.681 9.751 3.952 149 HB2 ASP 21 HB2 ASP 21 18.867 8.496 2.248 150 HB3 ASP 21 HB3 ASP 21 17.827 9.137 0.987 151 H VAL 22 H VAL 22 14.829 9.877 2.571 152 HA VAL 22 HA VAL 22 15.128 12.301 0.963 153 HB VAL 22 HB VAL 22 14.449 10.133 -0.053 154 HG11 VAL 22 HG21 VAL 22 12.554 8.966 0.487 155 HG12 VAL 22 HG22 VAL 22 11.804 10.355 1.276 156 HG13 VAL 22 HG23 VAL 22 13.139 9.512 2.063 157 HG21 VAL 22 HG13 VAL 22 12.310 10.908 -1.161 158 HG22 VAL 22 HG11 VAL 22 13.727 11.959 -1.334 159 HG23 VAL 22 HG12 VAL 22 12.459 12.371 -0.178 160 H SER 23 H SER 23 13.086 13.613 0.769 161 HA SER 23 HA SER 23 11.889 14.574 3.083 162 HB2 SER 23 HB3 SER 23 10.064 15.291 1.423 163 HB3 SER 23 HB2 SER 23 11.694 15.822 1.044 164 HG SER 23 HG SER 23 10.562 13.445 -0.008 165 HA PRO 24 HA PRO 24 9.619 12.079 5.231 166 HB2 PRO 24 HB3 PRO 24 6.945 11.750 4.520 167 HB3 PRO 24 HB2 PRO 24 7.569 13.024 5.572 168 HG2 PRO 24 HG3 PRO 24 7.065 13.092 2.613 169 HG3 PRO 24 HG2 PRO 24 6.584 14.277 3.840 170 HD2 PRO 24 HD2 PRO 24 8.694 14.798 2.402 171 HD3 PRO 24 HD3 PRO 24 8.859 14.968 4.166 172 H ALA 25 H ALA 25 9.744 9.926 5.366 173 HA ALA 25 HA ALA 25 11.154 8.680 3.540 174 HB1 ALA 25 HB1 ALA 25 10.964 7.616 5.593 175 HB2 ALA 25 HB2 ALA 25 10.345 6.466 4.401 176 HB3 ALA 25 HB3 ALA 25 9.226 7.385 5.409 177 H GLU 26 H GLU 26 11.041 7.466 1.773 178 HA GLU 26 HA GLU 26 8.499 7.654 0.397 179 HB2 GLU 26 HB2 GLU 26 9.560 9.753 0.039 180 HB3 GLU 26 HB3 GLU 26 11.080 8.997 -0.385 181 HG2 GLU 26 HG3 GLU 26 10.092 8.103 -2.366 182 HG3 GLU 26 HG2 GLU 26 8.550 8.857 -1.967 183 H LEU 27 H LEU 27 8.083 6.117 -1.005 184 HA LEU 27 HA LEU 27 10.034 3.932 -1.384 185 HB2 LEU 27 HB2 LEU 27 7.943 3.233 -0.422 186 HB3 LEU 27 HB3 LEU 27 7.020 4.179 -1.559 187 HG LEU 27 HG LEU 27 8.624 1.759 -2.410 188 HD11 LEU 27 HD11 LEU 27 5.721 1.913 -1.644 189 HD12 LEU 27 HD12 LEU 27 6.991 1.159 -0.675 190 HD13 LEU 27 HD13 LEU 27 6.573 0.492 -2.253 191 HD21 LEU 27 HD21 LEU 27 7.807 3.420 -4.157 192 HD22 LEU 27 HD22 LEU 27 6.167 2.960 -3.694 193 HD23 LEU 27 HD23 LEU 27 7.268 1.756 -4.366 194 H THR 28 H THR 28 10.453 3.235 -3.507 195 HA THR 28 HA THR 28 9.271 4.849 -5.631 196 HB THR 28 HB THR 28 12.236 4.331 -5.484 197 HG1 THR 28 HG1 THR 28 10.649 6.471 -4.584 198 HG21 THR 28 HG21 THR 28 10.502 5.990 -7.305 199 HG22 THR 28 HG22 THR 28 11.414 4.536 -7.734 200 HG23 THR 28 HG23 THR 28 12.268 6.016 -7.304 201 H TRP 29 H TRP 29 8.213 3.384 -6.756 202 HA TRP 29 HA TRP 29 9.365 0.759 -7.213 203 HB2 TRP 29 HB3 TRP 29 6.949 0.911 -6.879 204 HB3 TRP 29 HB2 TRP 29 6.816 2.015 -8.245 205 HD1 TRP 29 HD1 TRP 29 7.518 -1.700 -7.483 206 HE1 TRP 29 HE1 TRP 29 7.032 -3.076 -9.606 207 HE3 TRP 29 HE3 TRP 29 6.614 2.142 -10.722 208 HZ2 TRP 29 HZ2 TRP 29 6.363 -2.578 -12.307 209 HZ3 TRP 29 HZ3 TRP 29 6.047 1.611 -13.047 210 HH2 TRP 29 HH2 TRP 29 5.928 -0.698 -13.829 211 H ARG 30 H ARG 30 10.837 0.535 -8.636 212 HA ARG 30 HA ARG 30 10.746 2.117 -11.114 213 HB2 ARG 30 HB2 ARG 30 12.646 2.784 -9.772 214 HB3 ARG 30 HB3 ARG 30 13.089 1.100 -9.494 215 HG2 ARG 30 HG2 ARG 30 12.958 1.842 -12.305 216 HG3 ARG 30 HG3 ARG 30 14.177 2.728 -11.384 217 HD2 ARG 30 HD2 ARG 30 15.138 0.677 -10.603 218 HD3 ARG 30 HD3 ARG 30 13.872 -0.278 -11.362 219 HE ARG 30 HE ARG 30 15.303 1.345 -13.238 220 HH11 ARG 30 HH11 ARG 30 15.452 -1.630 -11.416 221 HH12 ARG 30 HH12 ARG 30 16.532 -2.416 -12.521 222 HH21 ARG 30 HH21 ARG 30 16.736 0.324 -14.715 223 HH22 ARG 30 HH22 ARG 30 17.259 -1.301 -14.409 224 H SER 31 H SER 31 10.312 0.867 -12.843 225 HA SER 31 HA SER 31 9.816 -1.852 -12.592 226 HB2 SER 31 HB3 SER 31 9.629 -1.852 -15.068 227 HB3 SER 31 HB2 SER 31 8.745 -0.524 -14.315 228 HG SER 31 HG SER 31 10.465 -0.309 -16.224 229 H THR 32 H THR 32 10.844 -3.663 -13.515 230 HA THR 32 HA THR 32 13.541 -3.943 -12.886 231 HB THR 32 HB THR 32 12.015 -5.613 -14.900 232 HG1 THR 32 HG1 THR 32 12.185 -5.974 -12.080 233 HG21 THR 32 HG21 THR 32 14.307 -6.282 -13.046 234 HG22 THR 32 HG22 THR 32 14.416 -6.094 -14.796 235 HG23 THR 32 HG23 THR 32 13.478 -7.419 -14.107 236 H ASP 33 H ASP 33 11.923 -3.129 -15.886 237 HA ASP 33 HA ASP 33 14.244 -3.135 -17.541 238 HB2 ASP 33 HB2 ASP 33 12.618 -1.889 -19.078 239 HB3 ASP 33 HB3 ASP 33 12.214 -3.546 -18.656 240 H GLY 34 H GLY 34 12.597 -0.790 -15.550 241 HA2 GLY 34 HA3 GLY 34 13.626 1.133 -14.690 242 HA3 GLY 34 HA2 GLY 34 14.813 1.050 -15.980 243 H ASP 35 H ASP 35 11.852 0.641 -17.401 244 HA ASP 35 HA ASP 35 11.935 3.317 -18.465 245 HB2 ASP 35 HB2 ASP 35 11.501 1.434 -19.944 246 HB3 ASP 35 HB3 ASP 35 10.052 1.051 -19.031 247 H LYS 36 H LYS 36 10.105 1.654 -16.044 248 HA LYS 36 HA LYS 36 8.345 4.004 -15.836 249 HB2 LYS 36 HB2 LYS 36 7.709 1.116 -15.711 250 HB3 LYS 36 HB3 LYS 36 6.878 2.162 -14.570 251 HG2 LYS 36 HG2 LYS 36 5.907 3.436 -16.291 252 HG3 LYS 36 HG3 LYS 36 6.954 2.713 -17.507 253 HD2 LYS 36 HD2 LYS 36 4.824 1.673 -17.735 254 HD3 LYS 36 HD3 LYS 36 5.879 0.500 -16.945 255 HE2 LYS 36 HE2 LYS 36 3.763 0.473 -15.828 256 HE3 LYS 36 HE3 LYS 36 4.943 1.225 -14.757 257 HZ1 LYS 36 HZ1 LYS 36 4.085 3.381 -15.331 258 HZ2 LYS 36 HZ2 LYS 36 2.803 2.401 -14.809 259 HZ3 LYS 36 HZ3 LYS 36 3.019 2.712 -16.462 260 H VAL 37 H VAL 37 8.005 4.893 -13.906 261 HA VAL 37 HA VAL 37 9.152 3.654 -11.503 262 HB VAL 37 HB VAL 37 9.874 6.436 -12.469 263 HG11 VAL 37 HG21 VAL 37 9.390 6.485 -10.080 264 HG12 VAL 37 HG22 VAL 37 11.117 6.685 -10.377 265 HG13 VAL 37 HG23 VAL 37 10.493 5.132 -9.820 266 HG21 VAL 37 HG13 VAL 37 11.238 4.670 -13.450 267 HG22 VAL 37 HG11 VAL 37 11.588 4.031 -11.842 268 HG23 VAL 37 HG12 VAL 37 12.184 5.624 -12.308 269 H HIS 38 H HIS 38 7.743 3.799 -9.878 270 HA HIS 38 HA HIS 38 5.875 6.070 -9.795 271 HB2 HIS 38 HB3 HIS 38 4.843 3.847 -10.498 272 HB3 HIS 38 HB2 HIS 38 5.189 3.313 -8.853 273 HD1 HIS 38 HD1 HIS 38 2.889 5.456 -10.835 274 HD2 HIS 38 HD2 HIS 38 3.625 4.576 -6.841 275 HE1 HIS 38 HE1 HIS 38 0.939 6.397 -9.568 276 HE2 HIS 38 HE2 HIS 38 1.554 6.094 -7.147 277 H THR 39 H THR 39 6.389 7.263 -8.079 278 HA THR 39 HA THR 39 7.725 5.996 -5.807 279 HB THR 39 HB THR 39 7.314 8.934 -6.406 280 HG1 THR 39 HG1 THR 39 9.074 8.814 -7.601 281 HG21 THR 39 HG21 THR 39 7.774 8.364 -4.032 282 HG22 THR 39 HG22 THR 39 9.064 9.305 -4.785 283 HG23 THR 39 HG23 THR 39 9.261 7.569 -4.553 284 H VAL 40 H VAL 40 6.959 6.162 -3.674 285 HA VAL 40 HA VAL 40 4.267 7.318 -3.296 286 HB VAL 40 HB VAL 40 5.387 4.723 -2.251 287 HG11 VAL 40 HG21 VAL 40 4.444 5.798 -0.337 288 HG12 VAL 40 HG22 VAL 40 3.314 4.559 -0.887 289 HG13 VAL 40 HG23 VAL 40 3.007 6.257 -1.246 290 HG21 VAL 40 HG13 VAL 40 2.699 5.224 -3.471 291 HG22 VAL 40 HG11 VAL 40 3.558 3.693 -3.276 292 HG23 VAL 40 HG12 VAL 40 4.127 4.881 -4.457 293 H VAL 41 H VAL 41 4.192 8.865 -1.740 294 HA VAL 41 HA VAL 41 6.372 9.104 0.176 295 HB VAL 41 HB VAL 41 3.958 10.898 -0.179 296 HG11 VAL 41 HG21 VAL 41 6.502 11.280 1.409 297 HG12 VAL 41 HG22 VAL 41 4.881 11.056 2.063 298 HG13 VAL 41 HG23 VAL 41 5.271 12.518 1.158 299 HG21 VAL 41 HG13 VAL 41 6.783 11.198 -1.190 300 HG22 VAL 41 HG11 VAL 41 5.547 12.453 -1.255 301 HG23 VAL 41 HG12 VAL 41 5.334 10.958 -2.163 302 H LEU 42 H LEU 42 6.229 7.795 1.777 303 HA LEU 42 HA LEU 42 4.098 6.422 2.802 304 HB2 LEU 42 HB2 LEU 42 6.663 7.303 4.062 305 HB3 LEU 42 HB3 LEU 42 5.458 6.429 4.994 306 HG LEU 42 HG LEU 42 7.372 5.086 3.960 307 HD11 LEU 42 HD11 LEU 42 4.503 4.307 3.483 308 HD12 LEU 42 HD12 LEU 42 5.416 4.102 4.982 309 HD13 LEU 42 HD13 LEU 42 5.875 3.206 3.543 310 HD21 LEU 42 HD21 LEU 42 5.678 5.462 1.493 311 HD22 LEU 42 HD22 LEU 42 6.984 4.290 1.675 312 HD23 LEU 42 HD23 LEU 42 7.341 6.018 1.719 313 H SER 43 H SER 43 4.972 9.747 3.540 314 HA SER 43 HA SER 43 3.339 9.885 5.877 315 HB2 SER 43 HB3 SER 43 4.558 12.029 4.165 316 HB3 SER 43 HB2 SER 43 3.619 12.369 5.618 317 HG SER 43 HG SER 43 5.248 11.771 6.792 318 H THR 44 H THR 44 2.808 10.639 2.458 319 HA THR 44 HA THR 44 0.151 11.597 2.895 320 HB THR 44 HB THR 44 -0.181 11.281 0.457 321 HG1 THR 44 HG1 THR 44 2.041 9.697 0.754 322 HG21 THR 44 HG21 THR 44 2.420 12.617 1.204 323 HG22 THR 44 HG22 THR 44 0.816 13.348 1.274 324 HG23 THR 44 HG23 THR 44 1.512 12.896 -0.282 325 H ILE 45 H ILE 45 1.636 8.547 2.800 326 HA ILE 45 HA ILE 45 -0.710 6.979 2.336 327 HB ILE 45 HB ILE 45 1.966 6.221 3.499 328 HG12 ILE 45 HG13 ILE 45 2.136 7.085 1.212 329 HG13 ILE 45 HG12 ILE 45 2.469 5.364 1.264 330 HG21 ILE 45 HG21 ILE 45 1.359 3.937 3.005 331 HG22 ILE 45 HG22 ILE 45 -0.203 4.468 2.383 332 HG23 ILE 45 HG23 ILE 45 0.175 4.664 4.096 333 HD11 ILE 45 HD11 ILE 45 1.129 5.755 -0.658 334 HD12 ILE 45 HD12 ILE 45 -0.026 6.721 0.268 335 HD13 ILE 45 HD13 ILE 45 0.082 4.982 0.540 336 H ASP 46 H ASP 46 -2.295 6.802 3.763 337 HA ASP 46 HA ASP 46 -2.000 7.415 6.533 338 HB2 ASP 46 HB2 ASP 46 -4.080 7.893 5.425 339 HB3 ASP 46 HB3 ASP 46 -4.272 6.223 4.961 340 H LYS 47 H LYS 47 -2.388 4.428 4.665 341 HA LYS 47 HA LYS 47 -1.427 2.896 6.979 342 HB2 LYS 47 HB2 LYS 47 -3.828 2.029 5.336 343 HB3 LYS 47 HB3 LYS 47 -3.094 1.150 6.665 344 HG2 LYS 47 HG2 LYS 47 -4.407 3.835 6.980 345 HG3 LYS 47 HG3 LYS 47 -5.221 2.293 7.236 346 HD2 LYS 47 HD2 LYS 47 -3.483 1.743 8.940 347 HD3 LYS 47 HD3 LYS 47 -2.864 3.384 8.751 348 HE2 LYS 47 HE2 LYS 47 -5.678 2.688 9.573 349 HE3 LYS 47 HE3 LYS 47 -4.387 3.131 10.685 350 HZ1 LYS 47 HZ1 LYS 47 -5.895 4.979 10.091 351 HZ2 LYS 47 HZ2 LYS 47 -5.352 4.885 8.489 352 HZ3 LYS 47 HZ3 LYS 47 -4.276 5.291 9.731 353 H LEU 48 H LEU 48 -0.351 0.958 6.376 354 HA LEU 48 HA LEU 48 -0.284 0.460 3.488 355 HB2 LEU 48 HB2 LEU 48 1.961 0.881 3.963 356 HB3 LEU 48 HB3 LEU 48 1.850 0.123 5.544 357 HG LEU 48 HG LEU 48 1.508 -2.075 4.311 358 HD11 LEU 48 HD11 LEU 48 2.061 -2.264 2.074 359 HD12 LEU 48 HD12 LEU 48 2.842 -0.689 2.036 360 HD13 LEU 48 HD13 LEU 48 1.083 -0.796 2.121 361 HD21 LEU 48 HD21 LEU 48 4.169 -1.305 3.527 362 HD22 LEU 48 HD22 LEU 48 3.635 -2.463 4.746 363 HD23 LEU 48 HD23 LEU 48 3.764 -0.748 5.147 364 H GLN 49 H GLN 49 -0.487 -1.596 2.817 365 HA GLN 49 HA GLN 49 -1.550 -3.514 4.767 366 HB2 GLN 49 HB2 GLN 49 -2.503 -2.939 1.973 367 HB3 GLN 49 HB3 GLN 49 -3.081 -4.247 2.979 368 HG2 GLN 49 HG2 GLN 49 -3.337 -1.347 3.708 369 HG3 GLN 49 HG3 GLN 49 -4.596 -2.289 2.912 370 HE21 GLN 49 HE21 GLN 49 -5.660 -3.909 4.073 371 HE22 GLN 49 HE22 GLN 49 -5.615 -3.975 5.800 372 H ALA 50 H ALA 50 -1.332 -5.699 4.143 373 HA ALA 50 HA ALA 50 0.188 -6.504 1.856 374 HB1 ALA 50 HB1 ALA 50 2.027 -5.656 3.306 375 HB2 ALA 50 HB2 ALA 50 2.131 -7.401 3.055 376 HB3 ALA 50 HB3 ALA 50 1.508 -6.768 4.578 377 H THR 51 H THR 51 0.057 -8.682 1.495 378 HA THR 51 HA THR 51 -2.130 -10.167 2.224 379 HB THR 51 HB THR 51 -0.703 -12.183 1.659 380 HG1 THR 51 HG1 THR 51 1.273 -10.865 2.358 381 HG21 THR 51 HG21 THR 51 -0.803 -9.825 -0.202 382 HG22 THR 51 HG22 THR 51 -1.930 -11.180 -0.111 383 HG23 THR 51 HG23 THR 51 -0.286 -11.433 -0.710 384 HA PRO 52 HA PRO 52 -1.515 -11.165 6.512 385 HB2 PRO 52 HB3 PRO 52 -3.646 -12.856 6.637 386 HB3 PRO 52 HB2 PRO 52 -3.820 -11.101 6.629 387 HG2 PRO 52 HG3 PRO 52 -4.051 -13.036 4.361 388 HG3 PRO 52 HG2 PRO 52 -5.121 -11.710 4.800 389 HD2 PRO 52 HD2 PRO 52 -3.326 -11.461 2.850 390 HD3 PRO 52 HD3 PRO 52 -3.686 -10.118 3.934 391 H ALA 53 H ALA 53 -1.131 -13.147 7.776 392 HA ALA 53 HA ALA 53 0.501 -15.052 6.527 393 HB1 ALA 53 HB1 ALA 53 0.569 -14.605 8.932 394 HB2 ALA 53 HB2 ALA 53 0.326 -16.322 8.608 395 HB3 ALA 53 HB3 ALA 53 -1.034 -15.318 9.114 396 H SER 54 H SER 54 -2.939 -14.899 7.021 397 HA SER 54 HA SER 54 -3.559 -17.592 6.370 398 HB2 SER 54 HB3 SER 54 -5.016 -15.835 7.556 399 HB3 SER 54 HB2 SER 54 -5.386 -15.231 5.947 400 HG SER 54 HG SER 54 -6.765 -16.791 5.754 401 H SER 55 H SER 55 -2.734 -14.818 4.504 402 HA SER 55 HA SER 55 -3.922 -15.627 2.036 403 HB2 SER 55 HB3 SER 55 -3.311 -13.260 2.442 404 HB3 SER 55 HB2 SER 55 -1.620 -13.726 2.561 405 HG SER 55 HG SER 55 -3.304 -13.856 0.283 406 H GLU 56 H GLU 56 -3.003 -16.683 0.307 407 HA GLU 56 HA GLU 56 -0.625 -18.272 0.820 408 HB2 GLU 56 HB2 GLU 56 -2.535 -18.205 -1.483 409 HB3 GLU 56 HB3 GLU 56 -1.161 -19.286 -1.383 410 HG2 GLU 56 HG3 GLU 56 -3.478 -19.218 0.520 411 HG3 GLU 56 HG2 GLU 56 -3.196 -20.394 -0.754 412 H LYS 57 H LYS 57 -1.339 -15.276 -0.301 413 HA LYS 57 HA LYS 57 0.669 -15.270 -2.442 414 HB2 LYS 57 HB2 LYS 57 -1.215 -13.025 -1.865 415 HB3 LYS 57 HB3 LYS 57 -0.436 -13.437 -3.378 416 HG2 LYS 57 HG2 LYS 57 -2.667 -14.962 -2.067 417 HG3 LYS 57 HG3 LYS 57 -2.822 -13.893 -3.455 418 HD2 LYS 57 HD2 LYS 57 -1.240 -16.440 -3.311 419 HD3 LYS 57 HD3 LYS 57 -2.781 -16.228 -4.133 420 HE2 LYS 57 HE2 LYS 57 -1.716 -14.541 -5.599 421 HE3 LYS 57 HE3 LYS 57 -0.178 -14.876 -4.807 422 HZ1 LYS 57 HZ1 LYS 57 -0.453 -16.067 -6.917 423 HZ2 LYS 57 HZ2 LYS 57 -1.784 -16.890 -6.272 424 HZ3 LYS 57 HZ3 LYS 57 -0.246 -17.115 -5.605 425 H MET 58 H MET 58 1.592 -12.983 -2.682 426 HA MET 58 HA MET 58 2.407 -11.860 -0.101 427 HB2 MET 58 HB3 MET 58 4.517 -11.770 -2.066 428 HB3 MET 58 HB2 MET 58 4.564 -12.437 -0.448 429 HG2 MET 58 HG3 MET 58 5.130 -14.209 -1.885 430 HG3 MET 58 HG2 MET 58 3.481 -14.509 -1.383 431 HE1 MET 58 HE1 MET 58 3.186 -16.270 -3.315 432 HE2 MET 58 HE2 MET 58 4.845 -15.992 -3.847 433 HE3 MET 58 HE3 MET 58 3.524 -15.938 -5.014 434 H MET 59 H MET 59 1.716 -9.777 -0.218 435 HA MET 59 HA MET 59 2.091 -8.238 -2.626 436 HB2 MET 59 HB3 MET 59 -0.095 -9.833 -2.612 437 HB3 MET 59 HB2 MET 59 -0.757 -8.383 -1.883 438 HG2 MET 59 HG3 MET 59 0.042 -7.095 -3.845 439 HG3 MET 59 HG2 MET 59 0.565 -8.618 -4.569 440 HE1 MET 59 HE1 MET 59 -1.055 -10.572 -5.263 441 HE2 MET 59 HE2 MET 59 -2.806 -10.523 -5.057 442 HE3 MET 59 HE3 MET 59 -1.753 -10.614 -3.645 443 H LEU 60 H LEU 60 2.146 -6.081 -2.191 444 HA LEU 60 HA LEU 60 1.191 -5.187 0.466 445 HB2 LEU 60 HB2 LEU 60 3.497 -4.427 -1.194 446 HB3 LEU 60 HB3 LEU 60 2.656 -3.096 -0.434 447 HG LEU 60 HG LEU 60 2.938 -4.481 1.743 448 HD11 LEU 60 HD11 LEU 60 5.120 -5.646 0.028 449 HD12 LEU 60 HD12 LEU 60 3.762 -6.528 0.739 450 HD13 LEU 60 HD13 LEU 60 4.989 -5.796 1.783 451 HD21 LEU 60 HD21 LEU 60 3.973 -2.385 1.468 452 HD22 LEU 60 HD22 LEU 60 5.125 -3.034 0.303 453 HD23 LEU 60 HD23 LEU 60 5.223 -3.510 1.997 454 H ARG 61 H ARG 61 0.153 -3.147 0.639 455 HA ARG 61 HA ARG 61 -0.591 -1.687 -1.730 456 HB2 ARG 61 HB2 ARG 61 -2.395 -3.360 -1.529 457 HB3 ARG 61 HB3 ARG 61 -2.753 -2.765 0.078 458 HG2 ARG 61 HG2 ARG 61 -3.265 -0.554 -0.916 459 HG3 ARG 61 HG3 ARG 61 -3.052 -1.280 -2.510 460 HD2 ARG 61 HD2 ARG 61 -5.385 -1.310 -2.022 461 HD3 ARG 61 HD3 ARG 61 -4.790 -2.961 -1.878 462 HE ARG 61 HE ARG 61 -4.842 -1.470 0.590 463 HH11 ARG 61 HH11 ARG 61 -6.578 -3.697 -1.492 464 HH12 ARG 61 HH12 ARG 61 -7.685 -4.189 -0.240 465 HH21 ARG 61 HH21 ARG 61 -6.307 -2.119 2.215 466 HH22 ARG 61 HH22 ARG 61 -7.522 -3.313 1.851 467 H LEU 62 H LEU 62 -0.063 0.314 -1.286 468 HA LEU 62 HA LEU 62 -0.034 1.238 1.489 469 HB2 LEU 62 HB2 LEU 62 1.252 2.277 -1.043 470 HB3 LEU 62 HB3 LEU 62 1.292 3.161 0.452 471 HG LEU 62 HG LEU 62 2.337 0.971 1.409 472 HD11 LEU 62 HD11 LEU 62 2.935 0.667 -1.529 473 HD12 LEU 62 HD12 LEU 62 1.920 -0.406 -0.563 474 HD13 LEU 62 HD13 LEU 62 3.647 -0.281 -0.222 475 HD21 LEU 62 HD21 LEU 62 3.494 3.115 1.213 476 HD22 LEU 62 HD22 LEU 62 3.900 2.724 -0.458 477 HD23 LEU 62 HD23 LEU 62 4.562 1.749 0.864 478 H ILE 63 H ILE 63 -1.774 2.274 2.187 479 HA ILE 63 HA ILE 63 -3.719 3.363 0.322 480 HB ILE 63 HB ILE 63 -4.122 3.640 3.247 481 HG12 ILE 63 HG13 ILE 63 -3.068 1.425 3.124 482 HG13 ILE 63 HG12 ILE 63 -4.765 1.314 3.576 483 HG21 ILE 63 HG21 ILE 63 -5.826 4.289 1.592 484 HG22 ILE 63 HG22 ILE 63 -6.397 3.068 2.725 485 HG23 ILE 63 HG23 ILE 63 -5.944 2.604 1.087 486 HD11 ILE 63 HD11 ILE 63 -3.631 0.787 0.850 487 HD12 ILE 63 HD12 ILE 63 -5.325 0.652 1.316 488 HD13 ILE 63 HD13 ILE 63 -4.126 -0.426 2.027 489 H GLY 64 H GLY 64 -3.727 5.485 -0.214 490 HA2 GLY 64 HA3 GLY 64 -2.157 7.348 1.368 491 HA3 GLY 64 HA2 GLY 64 -3.001 7.715 -0.123 492 H LYS 65 H LYS 65 -2.989 9.306 2.283 493 HA LYS 65 HA LYS 65 -5.460 8.995 3.652 494 HB2 LYS 65 HB2 LYS 65 -3.494 11.231 3.382 495 HB3 LYS 65 HB3 LYS 65 -5.091 11.572 4.025 496 HG2 LYS 65 HG2 LYS 65 -3.912 11.196 5.943 497 HG3 LYS 65 HG3 LYS 65 -4.554 9.601 5.641 498 HD2 LYS 65 HD2 LYS 65 -2.491 8.777 5.004 499 HD3 LYS 65 HD3 LYS 65 -1.866 10.363 4.600 500 HE2 LYS 65 HE2 LYS 65 -1.907 10.951 6.999 501 HE3 LYS 65 HE3 LYS 65 -2.451 9.319 7.365 502 HZ1 LYS 65 HZ1 LYS 65 -0.093 9.513 7.709 503 HZ2 LYS 65 HZ2 LYS 65 0.142 10.072 6.131 504 HZ3 LYS 65 HZ3 LYS 65 -0.374 8.481 6.396 505 H VAL 66 H VAL 66 -7.459 9.706 3.174 506 HA VAL 66 HA VAL 66 -7.803 11.237 0.687 507 HB VAL 66 HB VAL 66 -9.033 9.052 0.952 508 HG11 VAL 66 HG21 VAL 66 -9.606 9.223 3.307 509 HG12 VAL 66 HG22 VAL 66 -11.055 9.020 2.324 510 HG13 VAL 66 HG23 VAL 66 -10.639 10.611 2.963 511 HG21 VAL 66 HG13 VAL 66 -10.715 11.508 0.541 512 HG22 VAL 66 HG11 VAL 66 -11.127 9.878 0.010 513 HG23 VAL 66 HG12 VAL 66 -9.729 10.704 -0.680 514 H ASP 67 H ASP 67 -9.504 12.896 0.747 515 HA ASP 67 HA ASP 67 -9.687 14.143 3.417 516 HB2 ASP 67 HB2 ASP 67 -8.493 15.452 1.581 517 HB3 ASP 67 HB3 ASP 67 -10.068 15.606 0.805 518 H GLU 68 H GLU 68 -11.605 13.643 4.294 519 HA GLU 68 HA GLU 68 -13.867 13.027 2.638 520 HB2 GLU 68 HB2 GLU 68 -14.007 13.404 5.600 521 HB3 GLU 68 HB3 GLU 68 -15.016 12.406 4.587 522 HG2 GLU 68 HG3 GLU 68 -13.731 10.875 5.634 523 HG3 GLU 68 HG2 GLU 68 -12.805 11.113 4.155 524 H SER 69 H SER 69 -12.624 15.900 3.937 525 HA SER 69 HA SER 69 -15.185 17.169 4.358 526 HB2 SER 69 HB3 SER 69 -13.320 17.767 5.790 527 HB3 SER 69 HB2 SER 69 -12.384 18.306 4.398 528 HG SER 69 HG SER 69 -13.260 20.162 4.937 529 H LYS 70 H LYS 70 -12.560 17.286 1.995 530 HA LYS 70 HA LYS 70 -14.003 19.145 0.307 531 HB2 LYS 70 HB2 LYS 70 -11.515 17.541 -0.321 532 HB3 LYS 70 HB3 LYS 70 -12.116 18.940 -1.198 533 HG2 LYS 70 HG2 LYS 70 -11.141 18.962 1.638 534 HG3 LYS 70 HG3 LYS 70 -10.220 19.497 0.235 535 HD2 LYS 70 HD2 LYS 70 -12.870 20.655 1.060 536 HD3 LYS 70 HD3 LYS 70 -11.311 21.329 1.535 537 HE2 LYS 70 HE2 LYS 70 -10.734 21.605 -0.834 538 HE3 LYS 70 HE3 LYS 70 -12.308 20.953 -1.275 539 HZ1 LYS 70 HZ1 LYS 70 -12.291 23.368 -1.356 540 HZ2 LYS 70 HZ2 LYS 70 -11.847 23.440 0.274 541 HZ3 LYS 70 HZ3 LYS 70 -13.357 22.822 -0.159 542 H LYS 71 H LYS 71 -15.919 17.764 0.169 543 HA LYS 71 HA LYS 71 -15.853 15.232 -0.992 544 HB2 LYS 71 HB2 LYS 71 -18.107 17.214 -0.817 545 HB3 LYS 71 HB3 LYS 71 -18.291 15.553 -1.347 546 HG2 LYS 71 HG2 LYS 71 -17.571 14.753 0.820 547 HG3 LYS 71 HG3 LYS 71 -17.289 16.410 1.360 548 HD2 LYS 71 HD2 LYS 71 -19.956 15.435 0.394 549 HD3 LYS 71 HD3 LYS 71 -19.476 15.364 2.092 550 HE2 LYS 71 HE2 LYS 71 -19.115 17.819 2.013 551 HE3 LYS 71 HE3 LYS 71 -19.721 17.811 0.358 552 HZ1 LYS 71 HZ1 LYS 71 -21.237 17.034 2.782 553 HZ2 LYS 71 HZ2 LYS 71 -21.825 16.902 1.198 554 HZ3 LYS 71 HZ3 LYS 71 -21.474 18.428 1.852 555 H ARG 72 H ARG 72 -16.008 14.526 -2.977 556 HA ARG 72 HA ARG 72 -15.444 16.364 -5.139 557 HB2 ARG 72 HB2 ARG 72 -14.706 14.506 -6.355 558 HB3 ARG 72 HB3 ARG 72 -14.317 14.049 -4.706 559 HG2 ARG 72 HG2 ARG 72 -16.226 12.625 -4.591 560 HG3 ARG 72 HG3 ARG 72 -16.799 13.181 -6.162 561 HD2 ARG 72 HD2 ARG 72 -14.247 11.660 -5.634 562 HD3 ARG 72 HD3 ARG 72 -15.720 11.001 -6.340 563 HE ARG 72 HE ARG 72 -14.747 13.238 -7.816 564 HH11 ARG 72 HH11 ARG 72 -14.292 9.799 -7.310 565 HH12 ARG 72 HH12 ARG 72 -13.555 9.548 -8.862 566 HH21 ARG 72 HH21 ARG 72 -13.782 12.894 -9.857 567 HH22 ARG 72 HH22 ARG 72 -13.270 11.298 -10.302 568 H LYS 73 H LYS 73 -16.606 15.498 -7.314 569 HA LYS 73 HA LYS 73 -19.475 15.750 -6.712 570 HB2 LYS 73 HB2 LYS 73 -18.064 17.038 -9.050 571 HB3 LYS 73 HB3 LYS 73 -19.690 17.357 -8.458 572 HG2 LYS 73 HG2 LYS 73 -17.255 17.852 -6.806 573 HG3 LYS 73 HG3 LYS 73 -17.944 19.082 -7.872 574 HD2 LYS 73 HD2 LYS 73 -19.747 19.392 -6.517 575 HD3 LYS 73 HD3 LYS 73 -19.758 17.707 -5.988 576 HE2 LYS 73 HE2 LYS 73 -19.104 19.042 -4.115 577 HE3 LYS 73 HE3 LYS 73 -17.679 18.169 -4.702 578 HZ1 LYS 73 HZ1 LYS 73 -18.332 20.997 -5.351 579 HZ2 LYS 73 HZ2 LYS 73 -16.936 20.158 -5.816 580 HZ3 LYS 73 HZ3 LYS 73 -17.212 20.503 -4.185 581 H ASP 74 H ASP 74 -20.878 14.531 -7.937 582 HA ASP 74 HA ASP 74 -19.616 12.468 -9.572 583 HB2 ASP 74 HB2 ASP 74 -21.379 12.103 -7.654 584 HB3 ASP 74 HB3 ASP 74 -22.525 12.489 -8.927 585 H ASN 75 H ASN 75 -22.096 11.886 -11.032 586 HA ASN 75 HA ASN 75 -21.400 13.280 -13.363 587 HB2 ASN 75 HB2 ASN 75 -23.347 12.241 -14.402 588 HB3 ASN 75 HB3 ASN 75 -22.455 11.084 -13.426 589 HD21 ASN 75 HD21 ASN 75 -25.233 11.080 -14.347 590 HD22 ASN 75 HD22 ASN 75 -26.204 10.940 -12.920 591 H GLU 76 H GLU 76 -23.756 14.059 -10.894 592 HA GLU 76 HA GLU 76 -24.959 16.113 -12.597 593 HB2 GLU 76 HB2 GLU 76 -25.719 15.563 -9.741 594 HB3 GLU 76 HB3 GLU 76 -26.707 16.238 -11.031 595 HG2 GLU 76 HG3 GLU 76 -26.300 13.907 -12.129 596 HG3 GLU 76 HG2 GLU 76 -25.984 13.415 -10.473 597 H GLY 77 H GLY 77 -22.338 15.769 -10.850 598 HA2 GLY 77 HA3 GLY 77 -20.863 17.222 -9.823 599 HA3 GLY 77 HA2 GLY 77 -21.887 18.545 -10.377 600 H ASN 78 H ASN 78 -22.855 15.845 -8.378 601 HA ASN 78 HA ASN 78 -24.021 17.708 -6.533 602 HB2 ASN 78 HB2 ASN 78 -25.026 15.664 -5.490 603 HB3 ASN 78 HB3 ASN 78 -25.409 15.884 -7.193 604 HD21 ASN 78 HD21 ASN 78 -24.463 14.493 -8.725 605 HD22 ASN 78 HD22 ASN 78 -23.913 12.927 -8.259 606 H GLU 79 H GLU 79 -22.553 14.672 -5.442 607 HA GLU 79 HA GLU 79 -20.110 15.692 -4.568 608 HB2 GLU 79 HB2 GLU 79 -20.504 15.818 -2.123 609 HB3 GLU 79 HB3 GLU 79 -21.322 17.088 -3.021 610 HG2 GLU 79 HG3 GLU 79 -23.398 15.735 -2.893 611 HG3 GLU 79 HG2 GLU 79 -22.518 14.608 -1.864 612 H VAL 80 H VAL 80 -18.853 13.983 -4.322 613 HA VAL 80 HA VAL 80 -19.982 11.569 -3.028 614 HB VAL 80 HB VAL 80 -17.624 11.355 -4.844 615 HG11 VAL 80 HG21 VAL 80 -18.228 9.459 -3.471 616 HG12 VAL 80 HG22 VAL 80 -18.478 9.085 -5.177 617 HG13 VAL 80 HG23 VAL 80 -19.858 9.461 -4.145 618 HG21 VAL 80 HG13 VAL 80 -19.218 12.524 -6.245 619 HG22 VAL 80 HG11 VAL 80 -20.480 11.370 -5.817 620 HG23 VAL 80 HG12 VAL 80 -19.089 10.842 -6.764 621 H VAL 81 H VAL 81 -18.626 10.602 -1.496 622 HA VAL 81 HA VAL 81 -16.144 12.061 -0.966 623 HB VAL 81 HB VAL 81 -17.511 12.128 0.995 624 HG11 VAL 81 HG21 VAL 81 -19.056 10.359 0.613 625 HG12 VAL 81 HG22 VAL 81 -18.242 10.041 2.144 626 HG13 VAL 81 HG23 VAL 81 -17.777 9.149 0.696 627 HG21 VAL 81 HG13 VAL 81 -16.086 11.018 2.635 628 HG22 VAL 81 HG11 VAL 81 -15.130 11.781 1.365 629 HG23 VAL 81 HG12 VAL 81 -15.374 10.034 1.355 630 HA PRO 82 HA PRO 82 -14.655 8.510 -3.219 631 HB2 PRO 82 HB3 PRO 82 -12.109 9.462 -3.371 632 HB3 PRO 82 HB2 PRO 82 -13.393 9.865 -4.505 633 HG2 PRO 82 HG3 PRO 82 -12.362 11.393 -2.182 634 HG3 PRO 82 HG2 PRO 82 -12.872 11.987 -3.760 635 HD2 PRO 82 HD2 PRO 82 -14.389 12.215 -1.586 636 HD3 PRO 82 HD3 PRO 82 -15.081 11.925 -3.182 637 H LYS 83 H LYS 83 -13.757 6.650 -2.615 638 HA LYS 83 HA LYS 83 -12.572 6.326 -0.049 639 HB2 LYS 83 HB2 LYS 83 -13.550 4.372 -0.699 640 HB3 LYS 83 HB3 LYS 83 -13.122 4.572 -2.392 641 HG2 LYS 83 HG2 LYS 83 -10.863 3.850 -1.928 642 HG3 LYS 83 HG3 LYS 83 -11.205 3.786 -0.202 643 HD2 LYS 83 HD2 LYS 83 -11.265 1.554 -1.149 644 HD3 LYS 83 HD3 LYS 83 -12.875 2.028 -0.612 645 HE2 LYS 83 HE2 LYS 83 -13.082 0.945 -2.734 646 HE3 LYS 83 HE3 LYS 83 -13.404 2.662 -2.961 647 HZ1 LYS 83 HZ1 LYS 83 -10.864 1.257 -3.598 648 HZ2 LYS 83 HZ2 LYS 83 -11.121 2.917 -3.771 649 HZ3 LYS 83 HZ3 LYS 83 -12.001 1.824 -4.714 650 HA PRO 84 HA PRO 84 -8.560 7.852 -0.710 651 HB2 PRO 84 HB3 PRO 84 -7.566 5.546 0.823 652 HB3 PRO 84 HB2 PRO 84 -7.406 7.273 1.144 653 HG2 PRO 84 HG3 PRO 84 -9.071 5.609 2.524 654 HG3 PRO 84 HG2 PRO 84 -9.325 7.355 2.350 655 HD2 PRO 84 HD2 PRO 84 -10.788 5.119 1.114 656 HD3 PRO 84 HD3 PRO 84 -11.280 6.803 1.343 657 H GLN 85 H GLN 85 -7.125 7.617 -2.311 658 HA GLN 85 HA GLN 85 -7.087 5.184 -3.792 659 HB2 GLN 85 HB2 GLN 85 -5.179 6.353 -5.077 660 HB3 GLN 85 HB3 GLN 85 -6.819 6.945 -5.244 661 HG2 GLN 85 HG2 GLN 85 -5.595 8.875 -5.057 662 HG3 GLN 85 HG3 GLN 85 -6.167 8.618 -3.415 663 HE21 GLN 85 HE21 GLN 85 -4.704 8.352 -1.800 664 HE22 GLN 85 HE22 GLN 85 -2.990 8.388 -2.031 665 H ARG 86 H ARG 86 -5.729 3.583 -3.766 666 HA ARG 86 HA ARG 86 -3.514 3.776 -1.864 667 HB2 ARG 86 HB2 ARG 86 -4.127 1.354 -1.231 668 HB3 ARG 86 HB3 ARG 86 -5.118 2.659 -0.599 669 HG2 ARG 86 HG2 ARG 86 -6.691 2.260 -2.484 670 HG3 ARG 86 HG3 ARG 86 -5.790 0.794 -2.848 671 HD2 ARG 86 HD2 ARG 86 -6.235 0.025 -0.575 672 HD3 ARG 86 HD3 ARG 86 -7.175 1.472 -0.261 673 HE ARG 86 HE ARG 86 -8.134 0.060 -2.540 674 HH11 ARG 86 HH11 ARG 86 -8.173 0.070 0.963 675 HH12 ARG 86 HH12 ARG 86 -9.689 -0.763 1.071 676 HH21 ARG 86 HH21 ARG 86 -10.123 -1.056 -2.393 677 HH22 ARG 86 HH22 ARG 86 -10.784 -1.414 -0.828 678 H HIS 87 H HIS 87 -1.739 2.559 -2.278 679 HA HIS 87 HA HIS 87 -1.477 1.952 -5.131 680 HB2 HIS 87 HB3 HIS 87 0.552 2.740 -3.039 681 HB3 HIS 87 HB2 HIS 87 0.936 2.448 -4.720 682 HD1 HIS 87 HD1 HIS 87 -0.678 4.082 -6.400 683 HD2 HIS 87 HD2 HIS 87 0.109 5.348 -2.515 684 HE1 HIS 87 HE1 HIS 87 -1.171 6.547 -6.375 685 HE2 HIS 87 HE2 HIS 87 -0.865 7.246 -3.977 686 H MET 88 H MET 88 -1.464 -0.106 -5.617 687 HA MET 88 HA MET 88 -0.672 -2.053 -3.561 688 HB2 MET 88 HB3 MET 88 -3.039 -2.174 -4.246 689 HB3 MET 88 HB2 MET 88 -2.541 -2.389 -5.917 690 HG2 MET 88 HG3 MET 88 -1.364 -4.477 -5.205 691 HG3 MET 88 HG2 MET 88 -2.115 -4.278 -3.624 692 HE1 MET 88 HE1 MET 88 -4.850 -3.377 -3.879 693 HE2 MET 88 HE2 MET 88 -4.797 -4.986 -3.153 694 HE3 MET 88 HE3 MET 88 -5.923 -4.647 -4.462 695 H PHE 89 H PHE 89 1.242 -3.049 -3.913 696 HA PHE 89 HA PHE 89 1.991 -3.448 -6.725 697 HB2 PHE 89 HB3 PHE 89 3.756 -3.381 -4.271 698 HB3 PHE 89 HB2 PHE 89 4.306 -3.611 -5.925 699 HD1 PHE 89 HD1 PHE 89 2.681 -1.192 -3.649 700 HD2 PHE 89 HD2 PHE 89 4.751 -1.784 -7.308 701 HE1 PHE 89 HE1 PHE 89 2.933 1.250 -3.900 702 HE2 PHE 89 HE2 PHE 89 4.989 0.648 -7.571 703 HZ PHE 89 HZ PHE 89 4.083 2.167 -5.865 704 H SER 90 H SER 90 2.438 -5.551 -7.391 705 HA SER 90 HA SER 90 1.665 -7.592 -5.465 706 HB2 SER 90 HB3 SER 90 1.953 -7.793 -8.460 707 HB3 SER 90 HB2 SER 90 1.414 -9.093 -7.409 708 HG SER 90 HG SER 90 0.117 -6.578 -7.472 709 H PHE 91 H PHE 91 3.068 -8.874 -4.556 710 HA PHE 91 HA PHE 91 5.839 -8.800 -5.546 711 HB2 PHE 91 HB3 PHE 91 4.767 -9.431 -2.772 712 HB3 PHE 91 HB2 PHE 91 6.470 -9.354 -3.212 713 HD1 PHE 91 HD1 PHE 91 3.409 -7.200 -3.416 714 HD2 PHE 91 HD2 PHE 91 7.584 -7.413 -2.755 715 HE1 PHE 91 HE1 PHE 91 3.465 -4.792 -2.873 716 HE2 PHE 91 HE2 PHE 91 7.633 -5.030 -2.230 717 HZ PHE 91 HZ PHE 91 5.447 -3.685 -2.423 718 H ASN 92 H ASN 92 7.089 -10.900 -4.930 719 HA ASN 92 HA ASN 92 5.349 -13.187 -5.582 720 HB2 ASN 92 HB2 ASN 92 8.087 -12.613 -6.738 721 HB3 ASN 92 HB3 ASN 92 7.130 -14.056 -7.050 722 HD21 ASN 92 HD21 ASN 92 5.311 -13.909 -8.384 723 HD22 ASN 92 HD22 ASN 92 5.042 -12.546 -9.409 724 H ASN 93 H ASN 93 7.463 -11.882 -3.409 725 HA ASN 93 HA ASN 93 8.031 -14.553 -2.329 726 HB2 ASN 93 HB2 ASN 93 10.090 -13.606 -3.276 727 HB3 ASN 93 HB3 ASN 93 9.895 -12.175 -2.274 728 HD21 ASN 93 HD21 ASN 93 10.499 -15.623 -2.206 729 HD22 ASN 93 HD22 ASN 93 11.252 -15.649 -0.654 730 H ARG 94 H ARG 94 7.317 -14.854 -0.368 731 HA ARG 94 HA ARG 94 5.741 -12.955 0.964 732 HB2 ARG 94 HB2 ARG 94 5.291 -15.300 1.239 733 HB3 ARG 94 HB3 ARG 94 6.888 -15.580 1.890 734 HG2 ARG 94 HG2 ARG 94 5.329 -15.629 3.684 735 HG3 ARG 94 HG3 ARG 94 6.304 -14.164 3.832 736 HD2 ARG 94 HD2 ARG 94 4.501 -12.925 2.680 737 HD3 ARG 94 HD3 ARG 94 3.526 -14.390 2.720 738 HE ARG 94 HE ARG 94 4.533 -13.395 5.270 739 HH11 ARG 94 HH11 ARG 94 1.847 -13.695 3.051 740 HH12 ARG 94 HH12 ARG 94 0.650 -13.296 4.240 741 HH21 ARG 94 HH21 ARG 94 2.982 -12.845 6.836 742 HH22 ARG 94 HH22 ARG 94 1.303 -12.783 6.405 743 H THR 95 H THR 95 9.114 -13.840 1.321 744 HA THR 95 HA THR 95 9.427 -12.558 3.863 745 HB THR 95 HB THR 95 11.526 -13.342 1.835 746 HG1 THR 95 HG1 THR 95 10.022 -14.949 3.075 747 HG21 THR 95 HG21 THR 95 11.787 -12.639 4.756 748 HG22 THR 95 HG22 THR 95 12.294 -11.632 3.402 749 HG23 THR 95 HG23 THR 95 13.094 -13.179 3.699 750 H VAL 96 H VAL 96 10.620 -11.740 0.617 751 HA VAL 96 HA VAL 96 11.546 -9.210 0.928 752 HB VAL 96 HB VAL 96 9.770 -10.160 -1.345 753 HG11 VAL 96 HG21 VAL 96 10.890 -8.423 -2.669 754 HG12 VAL 96 HG22 VAL 96 11.762 -7.884 -1.234 755 HG13 VAL 96 HG23 VAL 96 10.008 -7.726 -1.309 756 HG21 VAL 96 HG13 VAL 96 11.867 -10.715 -2.465 757 HG22 VAL 96 HG11 VAL 96 11.731 -11.592 -0.943 758 HG23 VAL 96 HG12 VAL 96 12.784 -10.182 -1.057 759 H MET 97 H MET 97 8.145 -9.994 0.168 760 HA MET 97 HA MET 97 7.307 -7.304 0.364 761 HB2 MET 97 HB3 MET 97 5.095 -8.121 0.104 762 HB3 MET 97 HB2 MET 97 6.151 -9.139 -0.873 763 HG2 MET 97 HG3 MET 97 5.290 -10.900 0.099 764 HG3 MET 97 HG2 MET 97 5.969 -10.382 1.637 765 HE1 MET 97 HE1 MET 97 4.467 -8.305 3.016 766 HE2 MET 97 HE2 MET 97 4.565 -9.953 3.631 767 HE3 MET 97 HE3 MET 97 3.015 -9.111 3.606 768 H ASP 98 H ASP 98 7.691 -9.850 2.728 769 HA ASP 98 HA ASP 98 6.163 -8.621 4.798 770 HB2 ASP 98 HB2 ASP 98 6.774 -10.957 5.004 771 HB3 ASP 98 HB3 ASP 98 8.487 -10.561 4.900 772 H ASN 99 H ASN 99 9.396 -8.398 3.615 773 HA ASN 99 HA ASN 99 10.470 -6.815 5.744 774 HB2 ASN 99 HB2 ASN 99 11.396 -7.418 2.919 775 HB3 ASN 99 HB3 ASN 99 12.340 -6.465 4.051 776 HD21 ASN 99 HD21 ASN 99 12.685 -9.147 2.704 777 HD22 ASN 99 HD22 ASN 99 13.114 -10.199 4.004 778 H ILE 100 H ILE 100 9.459 -6.206 2.428 779 HA ILE 100 HA ILE 100 9.748 -3.437 2.325 780 HB ILE 100 HB ILE 100 7.657 -5.216 1.034 781 HG12 ILE 100 HG13 ILE 100 9.993 -5.758 0.473 782 HG13 ILE 100 HG12 ILE 100 9.110 -5.144 -0.920 783 HG21 ILE 100 HG21 ILE 100 8.495 -2.498 0.073 784 HG22 ILE 100 HG22 ILE 100 7.119 -2.731 1.145 785 HG23 ILE 100 HG23 ILE 100 7.125 -3.470 -0.457 786 HD11 ILE 100 HD11 ILE 100 11.108 -3.678 0.767 787 HD12 ILE 100 HD12 ILE 100 10.105 -2.914 -0.466 788 HD13 ILE 100 HD13 ILE 100 11.269 -4.164 -0.920 789 H LYS 101 H LYS 101 6.847 -5.358 3.162 790 HA LYS 101 HA LYS 101 5.161 -3.276 3.849 791 HB2 LYS 101 HB2 LYS 101 4.153 -5.379 3.685 792 HB3 LYS 101 HB3 LYS 101 5.349 -6.152 4.719 793 HG2 LYS 101 HG2 LYS 101 4.298 -4.475 6.492 794 HG3 LYS 101 HG3 LYS 101 2.908 -4.637 5.423 795 HD2 LYS 101 HD2 LYS 101 2.626 -6.317 7.043 796 HD3 LYS 101 HD3 LYS 101 3.252 -7.155 5.624 797 HE2 LYS 101 HE2 LYS 101 4.390 -7.999 7.546 798 HE3 LYS 101 HE3 LYS 101 5.540 -7.016 6.636 799 HZ1 LYS 101 HZ1 LYS 101 4.048 -6.137 9.050 800 HZ2 LYS 101 HZ2 LYS 101 5.177 -5.217 8.204 801 HZ3 LYS 101 HZ3 LYS 101 5.665 -6.614 9.022 802 H MET 102 H MET 102 7.381 -5.130 5.944 803 HA MET 102 HA MET 102 6.573 -3.774 8.303 804 HB2 MET 102 HB3 MET 102 8.243 -5.017 9.438 805 HB3 MET 102 HB2 MET 102 7.646 -6.075 8.170 806 HG2 MET 102 HG3 MET 102 9.808 -6.448 7.842 807 HG3 MET 102 HG2 MET 102 9.704 -4.981 6.877 808 HE1 MET 102 HE1 MET 102 9.722 -5.524 10.797 809 HE2 MET 102 HE2 MET 102 11.433 -5.266 11.138 810 HE3 MET 102 HE3 MET 102 10.925 -6.641 10.158 811 H THR 103 H THR 103 8.868 -3.102 5.819 812 HA THR 103 HA THR 103 10.417 -1.168 7.186 813 HB THR 103 HB THR 103 9.777 -1.541 4.251 814 HG1 THR 103 HG1 THR 103 11.080 -3.177 5.022 815 HG21 THR 103 HG21 THR 103 11.628 -0.029 3.785 816 HG22 THR 103 HG22 THR 103 11.789 0.307 5.513 817 HG23 THR 103 HG23 THR 103 10.319 0.786 4.655 818 H LEU 104 H LEU 104 7.611 -0.957 5.046 819 HA LEU 104 HA LEU 104 7.428 1.863 5.176 820 HB2 LEU 104 HB2 LEU 104 5.322 -0.154 4.416 821 HB3 LEU 104 HB3 LEU 104 5.252 1.552 4.077 822 HG LEU 104 HG LEU 104 7.485 -0.095 2.973 823 HD11 LEU 104 HD11 LEU 104 4.702 0.119 1.909 824 HD12 LEU 104 HD12 LEU 104 5.625 -1.344 2.258 825 HD13 LEU 104 HD13 LEU 104 6.089 -0.307 0.910 826 HD21 LEU 104 HD21 LEU 104 7.562 2.346 2.826 827 HD22 LEU 104 HD22 LEU 104 6.033 2.298 1.947 828 HD23 LEU 104 HD23 LEU 104 7.476 1.564 1.251 829 H GLN 105 H GLN 105 5.284 -0.644 6.517 830 HA GLN 105 HA GLN 105 3.575 1.002 7.899 831 HB2 GLN 105 HB2 GLN 105 4.473 -1.776 8.606 832 HB3 GLN 105 HB3 GLN 105 3.198 -0.940 9.478 833 HG2 GLN 105 HG2 GLN 105 2.044 -0.677 7.250 834 HG3 GLN 105 HG3 GLN 105 3.239 -1.804 6.617 835 HE21 GLN 105 HE21 GLN 105 1.589 -3.239 6.070 836 HE22 GLN 105 HE22 GLN 105 0.798 -4.208 7.257 837 H GLN 106 H GLN 106 6.846 0.175 8.820 838 HA GLN 106 HA GLN 106 6.643 0.964 11.530 839 HB2 GLN 106 HB2 GLN 106 8.849 0.644 9.571 840 HB3 GLN 106 HB3 GLN 106 9.163 1.460 11.075 841 HG2 GLN 106 HG2 GLN 106 8.384 -0.537 12.290 842 HG3 GLN 106 HG3 GLN 106 8.164 -1.349 10.739 843 HE21 GLN 106 HE21 GLN 106 9.669 -2.935 11.091 844 HE22 GLN 106 HE22 GLN 106 11.368 -2.623 11.170 845 H ILE 107 H ILE 107 7.665 2.527 8.574 846 HA ILE 107 HA ILE 107 8.085 5.152 9.472 847 HB ILE 107 HB ILE 107 7.008 4.177 6.811 848 HG12 ILE 107 HG13 ILE 107 9.879 4.751 7.505 849 HG13 ILE 107 HG12 ILE 107 9.184 3.142 7.589 850 HG21 ILE 107 HG21 ILE 107 7.898 6.225 5.888 851 HG22 ILE 107 HG22 ILE 107 8.433 6.734 7.490 852 HG23 ILE 107 HG23 ILE 107 6.710 6.560 7.144 853 HD11 ILE 107 HD11 ILE 107 10.424 3.512 5.526 854 HD12 ILE 107 HD12 ILE 107 9.350 4.853 5.124 855 HD13 ILE 107 HD13 ILE 107 8.716 3.213 5.214 856 H ILE 108 H ILE 108 5.188 3.498 8.278 857 HA ILE 108 HA ILE 108 3.573 5.823 8.216 858 HB ILE 108 HB ILE 108 2.493 3.038 8.566 859 HG12 ILE 108 HG13 ILE 108 4.057 4.236 6.350 860 HG13 ILE 108 HG12 ILE 108 3.978 2.573 6.883 861 HG21 ILE 108 HG21 ILE 108 0.636 3.840 7.326 862 HG22 ILE 108 HG22 ILE 108 1.496 5.309 6.862 863 HG23 ILE 108 HG23 ILE 108 1.001 5.069 8.534 864 HD11 ILE 108 HD11 ILE 108 2.081 4.044 5.105 865 HD12 ILE 108 HD12 ILE 108 1.691 2.485 5.835 866 HD13 ILE 108 HD13 ILE 108 3.066 2.627 4.737 867 H SER 109 H SER 109 3.743 3.161 10.591 868 HA SER 109 HA SER 109 2.077 4.322 12.523 869 HB2 SER 109 HB3 SER 109 2.861 1.967 12.584 870 HB3 SER 109 HB2 SER 109 4.481 2.534 12.983 871 HG SER 109 HG SER 109 2.592 1.964 14.667 872 H ARG 110 H ARG 110 5.328 4.986 11.593 873 HA ARG 110 HA ARG 110 6.100 6.501 13.878 874 HB2 ARG 110 HB2 ARG 110 7.181 5.939 11.187 875 HB3 ARG 110 HB3 ARG 110 7.815 7.343 11.994 876 HG2 ARG 110 HG2 ARG 110 8.528 5.950 13.843 877 HG3 ARG 110 HG3 ARG 110 7.783 4.554 13.054 878 HD2 ARG 110 HD2 ARG 110 9.256 4.849 11.140 879 HD3 ARG 110 HD3 ARG 110 10.015 6.220 11.933 880 HE ARG 110 HE ARG 110 10.330 4.196 13.717 881 HH11 ARG 110 HH11 ARG 110 11.106 4.608 10.333 882 HH12 ARG 110 HH12 ARG 110 12.432 3.489 10.363 883 HH21 ARG 110 HH21 ARG 110 12.080 2.716 13.766 884 HH22 ARG 110 HH22 ARG 110 12.992 2.424 12.319 885 H TYR 111 H TYR 111 4.461 7.160 10.875 886 HA TYR 111 HA TYR 111 4.600 10.012 11.371 887 HB2 TYR 111 HB3 TYR 111 3.869 8.366 9.012 888 HB3 TYR 111 HB2 TYR 111 3.246 10.009 9.128 889 HD1 TYR 111 HD2 TYR 111 4.949 11.895 9.516 890 HD2 TYR 111 HD1 TYR 111 6.022 7.985 8.309 891 HE1 TYR 111 HE2 TYR 111 7.123 12.744 8.738 892 HE2 TYR 111 HE1 TYR 111 8.208 8.804 7.524 893 HH TYR 111 HH TYR 111 9.382 11.887 8.321 894 H LYS 112 H LYS 112 2.353 7.389 11.677 895 HA LYS 112 HA LYS 112 0.050 9.074 12.009 896 HB2 LYS 112 HB2 LYS 112 0.559 6.202 12.850 897 HB3 LYS 112 HB3 LYS 112 -0.974 7.037 13.054 898 HG2 LYS 112 HG2 LYS 112 -1.520 6.806 10.904 899 HG3 LYS 112 HG3 LYS 112 0.127 7.135 10.351 900 HD2 LYS 112 HD2 LYS 112 -0.204 4.903 9.789 901 HD3 LYS 112 HD3 LYS 112 0.694 4.829 11.292 902 HE2 LYS 112 HE2 LYS 112 -2.252 4.382 10.894 903 HE3 LYS 112 HE3 LYS 112 -1.023 3.211 11.325 904 HZ1 LYS 112 HZ1 LYS 112 -0.714 4.395 13.435 905 HZ2 LYS 112 HZ2 LYS 112 -2.279 3.783 13.256 906 HZ3 LYS 112 HZ3 LYS 112 -1.988 5.431 13.026 907 H ASP 113 H ASP 113 2.683 8.064 13.927 908 HA ASP 113 HA ASP 113 1.646 8.792 16.477 909 HB2 ASP 113 HB2 ASP 113 3.529 7.306 16.361 910 HB3 ASP 113 HB3 ASP 113 4.448 8.451 15.394 911 H ALA 114 H ALA 114 2.716 10.520 13.762 912 HA ALA 114 HA ALA 114 2.742 13.027 15.292 913 HB1 ALA 114 HB1 ALA 114 4.634 13.843 13.970 914 HB2 ALA 114 HB2 ALA 114 4.748 12.277 13.167 915 HB3 ALA 114 HB3 ALA 114 5.066 12.407 14.896 916 H ASP 115 H ASP 115 0.627 11.864 13.762 917 HA ASP 115 HA ASP 115 0.572 13.238 11.217 918 HB2 ASP 115 HB2 ASP 115 -0.465 11.018 11.413 919 HB3 ASP 115 HB3 ASP 115 -1.590 11.647 12.609 920 H1 GLY 242 H1 GLY 242 -34.071 1.485 -16.048 921 H2 GLY 242 H2 GLY 242 -32.473 1.182 -15.597 922 H3 GLY 242 H3 GLY 242 -33.123 2.729 -15.409 923 HA2 GLY 242 HA2 GLY 242 -34.709 1.877 -13.779 924 HA3 GLY 242 HA3 GLY 242 -33.968 0.292 -13.946 925 H GLY 243 H GLY 243 -31.595 0.197 -13.482 926 HA2 GLY 243 HA3 GLY 243 -30.311 2.225 -11.992 927 HA3 GLY 243 HA2 GLY 243 -31.080 1.093 -10.889 928 H GLY 244 H GLY 244 -29.153 0.942 -13.876 929 HA2 GLY 244 HA3 GLY 244 -27.969 -1.557 -13.059 930 HA3 GLY 244 HA2 GLY 244 -27.616 -0.661 -14.528 931 H GLY 245 H GLY 245 -25.793 -1.959 -12.671 932 HA2 GLY 245 HA3 GLY 245 -23.505 -0.926 -12.645 933 HA3 GLY 245 HA2 GLY 245 -24.260 0.406 -11.778 934 H TYR 246 H TYR 246 -25.189 -0.041 -9.691 935 HA TYR 246 HA TYR 246 -23.757 -2.173 -8.281 936 HB2 TYR 246 HB3 TYR 246 -25.241 0.254 -7.242 937 HB3 TYR 246 HB2 TYR 246 -24.479 -0.957 -6.219 938 HD1 TYR 246 HD2 TYR 246 -23.885 1.812 -8.554 939 HD2 TYR 246 HD1 TYR 246 -22.081 -1.019 -5.942 940 HE1 TYR 246 HE2 TYR 246 -21.779 3.075 -8.650 941 HE2 TYR 246 HE1 TYR 246 -19.968 0.239 -6.029 942 HH TYR 246 HH TYR 246 -18.822 1.824 -7.373 943 H ASP 247 H ASP 247 -26.201 -2.412 -10.012 944 HA ASP 247 HA ASP 247 -28.473 -2.850 -8.417 945 HB2 ASP 247 HB2 ASP 247 -29.355 -4.119 -10.358 946 HB3 ASP 247 HB3 ASP 247 -28.703 -2.550 -10.807 947 H VAL 248 H VAL 248 -28.510 -4.152 -6.783 948 HA VAL 248 HA VAL 248 -28.097 -5.863 -5.364 949 HB VAL 248 HB VAL 248 -28.171 -7.686 -7.763 950 HG11 VAL 248 HG21 VAL 248 -27.668 -8.758 -5.652 951 HG12 VAL 248 HG22 VAL 248 -29.291 -9.204 -6.177 952 HG13 VAL 248 HG23 VAL 248 -29.074 -8.005 -4.903 953 HG21 VAL 248 HG13 VAL 248 -30.006 -6.115 -8.012 954 HG22 VAL 248 HG11 VAL 248 -30.511 -6.413 -6.348 955 HG23 VAL 248 HG12 VAL 248 -30.619 -7.701 -7.547 956 H GLU 249 H GLU 249 -25.857 -4.579 -5.834 957 HA GLU 249 HA GLU 249 -23.855 -6.733 -5.939 958 HB2 GLU 249 HB2 GLU 249 -23.659 -5.298 -7.945 959 HB3 GLU 249 HB3 GLU 249 -23.477 -3.888 -6.908 960 HG2 GLU 249 HG3 GLU 249 -21.423 -4.896 -5.968 961 HG3 GLU 249 HG2 GLU 249 -21.590 -6.226 -7.110 962 H MET 250 H MET 250 -22.636 -6.888 -4.174 963 HA MET 250 HA MET 250 -22.283 -4.558 -2.440 964 HB2 MET 250 HB3 MET 250 -23.260 -7.266 -1.511 965 HB3 MET 250 HB2 MET 250 -22.628 -6.034 -0.430 966 HG2 MET 250 HG3 MET 250 -24.423 -4.513 -1.174 967 HG3 MET 250 HG2 MET 250 -25.081 -5.819 -2.156 968 HE1 MET 250 HE1 MET 250 -26.799 -4.230 0.002 969 HE2 MET 250 HE2 MET 250 -27.672 -5.561 0.760 970 HE3 MET 250 HE3 MET 250 -27.435 -5.544 -0.988 971 H GLU 251 H GLU 251 -20.459 -5.307 -4.162 972 HA GLU 251 HA GLU 251 -18.786 -7.443 -3.259 973 HB2 GLU 251 HB2 GLU 251 -19.074 -6.772 -5.651 974 HB3 GLU 251 HB3 GLU 251 -18.176 -5.301 -5.300 975 HG2 GLU 251 HG3 GLU 251 -16.818 -7.081 -6.357 976 HG3 GLU 251 HG2 GLU 251 -16.199 -6.546 -4.795 977 H SER 252 H SER 252 -16.673 -7.277 -2.485 978 HA SER 252 HA SER 252 -15.741 -4.667 -1.586 979 HB2 SER 252 HB3 SER 252 -16.090 -7.038 0.269 980 HB3 SER 252 HB2 SER 252 -15.281 -5.528 0.690 981 HG SER 252 HG SER 252 -17.726 -5.045 -0.352 982 H GLU 253 H GLU 253 -13.699 -4.456 -2.040 983 HA GLU 253 HA GLU 253 -12.252 -6.401 -3.448 984 HB2 GLU 253 HB2 GLU 253 -11.226 -3.899 -2.095 985 HB3 GLU 253 HB3 GLU 253 -10.416 -4.789 -3.376 986 HG2 GLU 253 HG3 GLU 253 -12.117 -4.211 -4.949 987 HG3 GLU 253 HG2 GLU 253 -13.112 -3.497 -3.682 988 H GLU 254 H GLU 254 -12.297 -5.498 -0.074 989 HA GLU 254 HA GLU 254 -9.909 -6.808 0.694 990 HB2 GLU 254 HB2 GLU 254 -12.344 -6.179 2.369 991 HB3 GLU 254 HB3 GLU 254 -10.745 -6.566 2.982 992 HG2 GLU 254 HG3 GLU 254 -11.492 -4.145 1.370 993 HG3 GLU 254 HG2 GLU 254 -11.151 -4.203 3.097 994 H GLU 255 H GLU 255 -13.057 -7.978 -0.053 995 HA GLU 255 HA GLU 255 -12.747 -10.437 1.443 996 HB2 GLU 255 HB2 GLU 255 -14.868 -9.472 -0.461 997 HB3 GLU 255 HB3 GLU 255 -14.888 -11.067 0.273 998 HG2 GLU 255 HG3 GLU 255 -14.848 -9.950 2.505 999 HG3 GLU 255 HG2 GLU 255 -15.053 -8.413 1.667 1000 H SER 256 H SER 256 -11.759 -9.260 -1.546 1001 HA SER 256 HA SER 256 -11.891 -11.568 -3.156 1002 HB2 SER 256 HB3 SER 256 -11.402 -9.357 -4.093 1003 HB3 SER 256 HB2 SER 256 -9.887 -9.295 -3.197 1004 HG SER 256 HG SER 256 -10.014 -10.074 -5.562 1005 H ASP 257 H ASP 257 -10.485 -13.263 -3.461 1006 HA ASP 257 HA ASP 257 -8.795 -13.931 -1.228 1007 HB2 ASP 257 HB2 ASP 257 -10.192 -15.625 -2.404 1008 HB3 ASP 257 HB3 ASP 257 -9.193 -15.414 -3.837 1009 H ASP 258 H ASP 258 -8.434 -12.518 -4.326 1010 HA ASP 258 HA ASP 258 -5.559 -12.913 -4.429 1011 HB2 ASP 258 HB2 ASP 258 -7.463 -11.366 -6.196 1012 HB3 ASP 258 HB3 ASP 258 -5.722 -11.417 -6.454 1013 H ASP 259 H ASP 259 -7.455 -11.083 -2.583 1014 HA ASP 259 HA ASP 259 -5.421 -9.024 -2.217 1015 HB2 ASP 259 HB2 ASP 259 -7.442 -8.234 -3.652 1016 HB3 ASP 259 HB3 ASP 259 -8.376 -8.371 -2.171 1017 H GLY 260 H GLY 260 -7.079 -7.750 -0.218 1018 HA2 GLY 260 HA3 GLY 260 -8.213 -8.144 1.772 1019 HA3 GLY 260 HA2 GLY 260 -7.933 -9.871 1.587 1020 H PHE 261 H PHE 261 -5.712 -7.156 1.589 1021 HA PHE 261 HA PHE 261 -3.752 -8.492 3.107 1022 HB2 PHE 261 HB3 PHE 261 -4.129 -5.560 2.589 1023 HB3 PHE 261 HB2 PHE 261 -2.650 -6.299 3.194 1024 HD1 PHE 261 HD2 PHE 261 -3.942 -8.570 0.994 1025 HD2 PHE 261 HD1 PHE 261 -2.107 -4.757 1.022 1026 HE1 PHE 261 HE2 PHE 261 -3.092 -8.950 -1.292 1027 HE2 PHE 261 HE1 PHE 261 -1.256 -5.113 -1.249 1028 HZ PHE 261 HZ PHE 261 -1.986 -7.068 -2.506 1029 H VAL 262 H VAL 262 -2.794 -7.456 5.121 1030 HA VAL 262 HA VAL 262 -4.847 -6.385 6.919 1031 HB VAL 262 HB VAL 262 -4.657 -8.862 7.257 1032 HG11 VAL 262 HG21 VAL 262 -2.678 -9.765 8.356 1033 HG12 VAL 262 HG22 VAL 262 -1.876 -8.201 8.212 1034 HG13 VAL 262 HG23 VAL 262 -2.285 -9.118 6.763 1035 HG21 VAL 262 HG13 VAL 262 -4.477 -8.752 9.701 1036 HG22 VAL 262 HG11 VAL 262 -5.451 -7.435 9.050 1037 HG23 VAL 262 HG12 VAL 262 -3.793 -7.132 9.570 1038 H GLU 263 H GLU 263 -4.053 -5.038 8.533 1039 HA GLU 263 HA GLU 263 -1.447 -3.886 8.102 1040 HB2 GLU 263 HB2 GLU 263 -3.688 -2.755 8.867 1041 HB3 GLU 263 HB3 GLU 263 -3.205 -3.295 10.466 1042 HG2 GLU 263 HG3 GLU 263 -1.076 -2.047 10.180 1043 HG3 GLU 263 HG2 GLU 263 -1.707 -1.417 8.654 1044 H VAL 264 H VAL 264 0.380 -4.597 9.067 1045 HA VAL 264 HA VAL 264 0.074 -6.451 11.330 1046 HB VAL 264 HB VAL 264 2.398 -6.239 9.395 1047 HG11 VAL 264 HG21 VAL 264 1.826 -8.248 11.579 1048 HG12 VAL 264 HG22 VAL 264 3.078 -7.006 11.616 1049 HG13 VAL 264 HG23 VAL 264 3.171 -8.318 10.441 1050 HG21 VAL 264 HG13 VAL 264 0.181 -8.277 9.596 1051 HG22 VAL 264 HG11 VAL 264 1.602 -8.420 8.562 1052 HG23 VAL 264 HG12 VAL 264 0.436 -7.125 8.284 1053 H ASP 265 H ASP 265 0.283 -5.297 13.133 1054 HA ASP 265 HA ASP 265 2.791 -3.909 13.595 1055 HB2 ASP 265 HB2 ASP 265 1.324 -2.123 12.764 1056 HB3 ASP 265 HB3 ASP 265 0.118 -2.539 13.958 Start of MODEL 4 1 H2 PRO 1 H2 PRO 1 18.587 -2.307 3.940 2 H3 PRO 1 H3 PRO 1 17.610 -1.780 5.137 3 HA PRO 1 HA PRO 1 18.157 -4.389 4.230 4 HB2 PRO 1 HB3 PRO 1 17.270 -4.611 6.952 5 HB3 PRO 1 HB2 PRO 1 18.692 -5.339 6.194 6 HG2 PRO 1 HG3 PRO 1 18.468 -2.851 7.760 7 HG3 PRO 1 HG2 PRO 1 19.882 -3.880 7.473 8 HD2 PRO 1 HD2 PRO 1 19.660 -1.468 6.320 9 HD3 PRO 1 HD3 PRO 1 20.392 -2.833 5.458 10 H SER 2 H SER 2 16.237 -5.290 3.713 11 HA SER 2 HA SER 2 14.013 -5.670 3.528 12 HB2 SER 2 HB3 SER 2 13.736 -3.857 5.879 13 HB3 SER 2 HB2 SER 2 12.486 -4.917 5.264 14 HG SER 2 HG SER 2 13.766 -6.690 5.830 15 H HIS 3 H HIS 3 15.359 -2.655 3.125 16 HA HIS 3 HA HIS 3 12.890 -1.193 2.757 17 HB2 HIS 3 HB3 HIS 3 15.794 -0.506 2.876 18 HB3 HIS 3 HB2 HIS 3 14.738 0.596 2.010 19 HD1 HIS 3 HD1 HIS 3 14.721 -1.067 5.464 20 HD2 HIS 3 HD2 HIS 3 13.859 2.557 3.609 21 HE1 HIS 3 HE1 HIS 3 14.051 0.505 7.312 22 HE2 HIS 3 HE2 HIS 3 13.575 2.710 6.179 23 H SER 4 H SER 4 14.046 -3.358 0.820 24 HA SER 4 HA SER 4 13.118 -2.068 -1.548 25 HB2 SER 4 HB3 SER 4 15.233 -2.319 -2.854 26 HB3 SER 4 HB2 SER 4 15.282 -1.066 -1.617 27 HG SER 4 HG SER 4 16.514 -3.609 -1.599 28 H GLY 5 H GLY 5 12.517 -3.470 -3.092 29 HA2 GLY 5 HA3 GLY 5 13.439 -6.111 -3.419 30 HA3 GLY 5 HA2 GLY 5 11.981 -6.119 -2.430 31 H ALA 6 H ALA 6 12.247 -7.201 -5.108 32 HA ALA 6 HA ALA 6 11.228 -5.286 -6.953 33 HB1 ALA 6 HB1 ALA 6 12.611 -7.186 -7.660 34 HB2 ALA 6 HB2 ALA 6 11.088 -7.086 -8.541 35 HB3 ALA 6 HB3 ALA 6 11.287 -8.281 -7.254 36 H ALA 7 H ALA 7 9.137 -5.116 -7.835 37 HA ALA 7 HA ALA 7 6.994 -6.799 -6.825 38 HB1 ALA 7 HB1 ALA 7 5.621 -4.927 -6.028 39 HB2 ALA 7 HB2 ALA 7 6.977 -3.828 -6.300 40 HB3 ALA 7 HB3 ALA 7 7.105 -5.101 -5.085 41 H ILE 8 H ILE 8 5.104 -6.653 -8.006 42 HA ILE 8 HA ILE 8 5.295 -5.407 -10.653 43 HB ILE 8 HB ILE 8 3.348 -7.414 -9.473 44 HG12 ILE 8 HG13 ILE 8 4.184 -8.826 -11.412 45 HG13 ILE 8 HG12 ILE 8 5.449 -7.630 -11.631 46 HG21 ILE 8 HG21 ILE 8 3.295 -6.165 -12.209 47 HG22 ILE 8 HG22 ILE 8 2.133 -5.897 -10.909 48 HG23 ILE 8 HG23 ILE 8 2.265 -7.488 -11.662 49 HD11 ILE 8 HD11 ILE 8 4.998 -9.302 -9.174 50 HD12 ILE 8 HD12 ILE 8 6.263 -8.089 -9.372 51 HD13 ILE 8 HD13 ILE 8 6.260 -9.535 -10.384 52 H PHE 9 H PHE 9 4.296 -3.559 -11.067 53 HA PHE 9 HA PHE 9 2.094 -2.779 -9.303 54 HB2 PHE 9 HB3 PHE 9 4.061 -1.573 -8.570 55 HB3 PHE 9 HB2 PHE 9 4.400 -1.054 -10.213 56 HD1 PHE 9 HD1 PHE 9 1.749 -0.815 -7.605 57 HD2 PHE 9 HD2 PHE 9 3.739 1.033 -10.878 58 HE1 PHE 9 HE1 PHE 9 0.503 1.261 -7.190 59 HE2 PHE 9 HE2 PHE 9 2.485 3.106 -10.474 60 HZ PHE 9 HZ PHE 9 0.865 3.222 -8.626 61 H GLU 10 H GLU 10 0.378 -2.864 -10.572 62 HA GLU 10 HA GLU 10 -1.074 -2.516 -12.264 63 HB2 GLU 10 HB2 GLU 10 0.913 -0.434 -13.187 64 HB3 GLU 10 HB3 GLU 10 -0.734 -0.612 -13.775 65 HG2 GLU 10 HG3 GLU 10 -1.553 -0.185 -11.490 66 HG3 GLU 10 HG2 GLU 10 0.109 0.121 -10.986 67 H LYS 11 H LYS 11 0.381 -4.629 -12.475 68 HA LYS 11 HA LYS 11 0.579 -6.344 -13.905 69 HB2 LYS 11 HB2 LYS 11 -0.148 -4.440 -16.112 70 HB3 LYS 11 HB3 LYS 11 -0.227 -6.199 -16.163 71 HG2 LYS 11 HG2 LYS 11 -1.801 -4.467 -14.301 72 HG3 LYS 11 HG3 LYS 11 -2.424 -5.150 -15.791 73 HD2 LYS 11 HD2 LYS 11 -2.487 -7.250 -14.924 74 HD3 LYS 11 HD3 LYS 11 -1.220 -6.935 -13.760 75 HE2 LYS 11 HE2 LYS 11 -3.242 -7.130 -12.538 76 HE3 LYS 11 HE3 LYS 11 -2.821 -5.419 -12.595 77 HZ1 LYS 11 HZ1 LYS 11 -4.787 -6.730 -14.388 78 HZ2 LYS 11 HZ2 LYS 11 -4.428 -5.080 -14.329 79 HZ3 LYS 11 HZ3 LYS 11 -5.183 -5.825 -13.014 80 H VAL 12 H VAL 12 2.537 -3.620 -14.151 81 HA VAL 12 HA VAL 12 4.468 -5.059 -15.820 82 HB VAL 12 HB VAL 12 4.551 -2.867 -16.588 83 HG11 VAL 12 HG21 VAL 12 3.005 -1.933 -14.945 84 HG12 VAL 12 HG22 VAL 12 4.395 -0.879 -15.192 85 HG13 VAL 12 HG23 VAL 12 4.300 -1.888 -13.748 86 HG21 VAL 12 HG13 VAL 12 6.594 -1.804 -15.655 87 HG22 VAL 12 HG11 VAL 12 6.794 -3.520 -16.015 88 HG23 VAL 12 HG12 VAL 12 6.564 -2.991 -14.346 89 H SER 13 H SER 13 6.227 -5.996 -15.000 90 HA SER 13 HA SER 13 6.449 -6.158 -12.119 91 HB2 SER 13 HB3 SER 13 6.615 -8.190 -13.568 92 HB3 SER 13 HB2 SER 13 8.109 -7.539 -14.243 93 HG SER 13 HG SER 13 7.605 -8.313 -11.560 94 H GLY 14 H GLY 14 7.790 -4.996 -10.944 95 HA2 GLY 14 HA3 GLY 14 10.202 -3.915 -12.159 96 HA3 GLY 14 HA2 GLY 14 9.049 -2.775 -11.495 97 H ILE 15 H ILE 15 10.624 -2.068 -10.021 98 HA ILE 15 HA ILE 15 11.119 -3.929 -7.830 99 HB ILE 15 HB ILE 15 12.970 -1.701 -8.569 100 HG12 ILE 15 HG13 ILE 15 12.773 -3.363 -10.417 101 HG13 ILE 15 HG12 ILE 15 14.372 -3.238 -9.728 102 HG21 ILE 15 HG21 ILE 15 13.350 -4.155 -6.868 103 HG22 ILE 15 HG22 ILE 15 13.175 -2.500 -6.287 104 HG23 ILE 15 HG23 ILE 15 14.594 -2.961 -7.228 105 HD11 ILE 15 HD11 ILE 15 13.723 -5.519 -10.274 106 HD12 ILE 15 HD12 ILE 15 12.393 -5.398 -9.119 107 HD13 ILE 15 HD13 ILE 15 14.064 -5.307 -8.555 108 H ILE 16 H ILE 16 11.237 -3.019 -5.763 109 HA ILE 16 HA ILE 16 10.049 -0.343 -5.514 110 HB ILE 16 HB ILE 16 8.992 -2.845 -4.608 111 HG12 ILE 16 HG13 ILE 16 8.052 -0.018 -4.145 112 HG13 ILE 16 HG12 ILE 16 7.793 -0.924 -5.628 113 HG21 ILE 16 HG21 ILE 16 8.518 -2.279 -2.262 114 HG22 ILE 16 HG22 ILE 16 9.590 -0.881 -2.393 115 HG23 ILE 16 HG23 ILE 16 10.244 -2.513 -2.547 116 HD11 ILE 16 HD11 ILE 16 6.748 -1.659 -2.908 117 HD12 ILE 16 HD12 ILE 16 6.474 -2.560 -4.400 118 HD13 ILE 16 HD13 ILE 16 5.817 -0.934 -4.218 119 H ALA 17 H ALA 17 11.144 1.018 -4.271 120 HA ALA 17 HA ALA 17 12.973 -0.085 -2.264 121 HB1 ALA 17 HB1 ALA 17 14.668 1.586 -2.882 122 HB2 ALA 17 HB2 ALA 17 13.673 2.050 -4.268 123 HB3 ALA 17 HB3 ALA 17 14.343 0.417 -4.161 124 H ILE 18 H ILE 18 12.132 0.590 -0.430 125 HA ILE 18 HA ILE 18 10.989 3.210 -0.071 126 HB ILE 18 HB ILE 18 11.778 1.287 2.107 127 HG12 ILE 18 HG13 ILE 18 9.143 0.909 2.007 128 HG13 ILE 18 HG12 ILE 18 9.402 1.275 0.305 129 HG21 ILE 18 HG21 ILE 18 9.760 3.530 2.042 130 HG22 ILE 18 HG22 ILE 18 11.373 3.625 2.760 131 HG23 ILE 18 HG23 ILE 18 10.161 2.524 3.434 132 HD11 ILE 18 HD11 ILE 18 9.431 -1.124 0.826 133 HD12 ILE 18 HD12 ILE 18 10.869 -0.864 1.808 134 HD13 ILE 18 HD13 ILE 18 10.912 -0.546 0.075 135 H ASN 19 H ASN 19 12.310 4.926 0.271 136 HA ASN 19 HA ASN 19 14.925 4.413 1.515 137 HB2 ASN 19 HB2 ASN 19 15.530 4.957 -0.668 138 HB3 ASN 19 HB3 ASN 19 14.178 6.063 -0.866 139 HD21 ASN 19 HD21 ASN 19 14.366 8.162 -0.200 140 HD22 ASN 19 HD22 ASN 19 15.876 8.877 0.254 141 H GLU 20 H GLU 20 15.032 5.336 3.515 142 HA GLU 20 HA GLU 20 13.745 7.980 3.619 143 HB2 GLU 20 HB2 GLU 20 14.971 6.449 5.924 144 HB3 GLU 20 HB3 GLU 20 13.886 7.825 6.006 145 HG2 GLU 20 HG3 GLU 20 12.035 6.562 5.401 146 HG3 GLU 20 HG2 GLU 20 13.029 5.246 4.791 147 H ASP 21 H ASP 21 15.618 8.535 2.159 148 HA ASP 21 HA ASP 21 17.603 9.828 3.904 149 HB2 ASP 21 HB2 ASP 21 18.804 8.572 2.234 150 HB3 ASP 21 HB3 ASP 21 17.723 9.115 0.960 151 H VAL 22 H VAL 22 14.757 9.951 2.501 152 HA VAL 22 HA VAL 22 15.044 12.373 0.896 153 HB VAL 22 HB VAL 22 14.350 10.203 -0.098 154 HG11 VAL 22 HG21 VAL 22 12.242 9.186 0.408 155 HG12 VAL 22 HG22 VAL 22 11.836 10.495 1.516 156 HG13 VAL 22 HG23 VAL 22 13.154 9.391 1.903 157 HG21 VAL 22 HG13 VAL 22 12.209 10.956 -1.199 158 HG22 VAL 22 HG11 VAL 22 13.607 12.034 -1.369 159 HG23 VAL 22 HG12 VAL 22 12.333 12.420 -0.213 160 H SER 23 H SER 23 12.970 13.675 0.718 161 HA SER 23 HA SER 23 11.828 14.677 3.059 162 HB2 SER 23 HB3 SER 23 11.642 15.295 0.408 163 HB3 SER 23 HB2 SER 23 10.084 14.515 0.651 164 HG SER 23 HG SER 23 11.066 16.912 1.666 165 HA PRO 24 HA PRO 24 9.465 12.095 5.216 166 HB2 PRO 24 HB3 PRO 24 6.795 11.900 4.437 167 HB3 PRO 24 HB2 PRO 24 7.442 13.104 5.555 168 HG2 PRO 24 HG3 PRO 24 7.003 13.317 2.592 169 HG3 PRO 24 HG2 PRO 24 6.539 14.465 3.857 170 HD2 PRO 24 HD2 PRO 24 8.710 14.970 2.484 171 HD3 PRO 24 HD3 PRO 24 8.836 15.056 4.261 172 H ALA 25 H ALA 25 9.515 9.933 5.236 173 HA ALA 25 HA ALA 25 10.948 8.784 3.373 174 HB1 ALA 25 HB1 ALA 25 10.261 7.795 5.584 175 HB2 ALA 25 HB2 ALA 25 10.573 6.681 4.250 176 HB3 ALA 25 HB3 ALA 25 8.913 7.065 4.707 177 H GLU 26 H GLU 26 10.892 7.696 1.545 178 HA GLU 26 HA GLU 26 8.343 7.670 0.189 179 HB2 GLU 26 HB2 GLU 26 10.857 9.013 -0.740 180 HB3 GLU 26 HB3 GLU 26 9.752 8.321 -1.927 181 HG2 GLU 26 HG3 GLU 26 7.932 9.677 -0.988 182 HG3 GLU 26 HG2 GLU 26 9.076 10.396 0.142 183 H LEU 27 H LEU 27 7.925 6.055 -1.102 184 HA LEU 27 HA LEU 27 9.843 3.830 -1.347 185 HB2 LEU 27 HB2 LEU 27 7.645 3.255 -0.510 186 HB3 LEU 27 HB3 LEU 27 6.871 4.168 -1.779 187 HG LEU 27 HG LEU 27 8.451 1.649 -2.327 188 HD11 LEU 27 HD11 LEU 27 5.501 2.037 -1.926 189 HD12 LEU 27 HD12 LEU 27 6.604 1.267 -0.770 190 HD13 LEU 27 HD13 LEU 27 6.319 0.523 -2.345 191 HD21 LEU 27 HD21 LEU 27 6.283 3.031 -3.931 192 HD22 LEU 27 HD22 LEU 27 7.171 1.582 -4.392 193 HD23 LEU 27 HD23 LEU 27 8.009 3.129 -4.284 194 H THR 28 H THR 28 10.446 3.177 -3.390 195 HA THR 28 HA THR 28 9.487 4.873 -5.579 196 HB THR 28 HB THR 28 12.357 3.969 -5.416 197 HG1 THR 28 HG1 THR 28 11.726 5.311 -3.560 198 HG21 THR 28 HG21 THR 28 12.642 5.968 -6.888 199 HG22 THR 28 HG22 THR 28 10.881 6.142 -6.898 200 HG23 THR 28 HG23 THR 28 11.636 4.699 -7.581 201 H TRP 29 H TRP 29 8.343 3.490 -6.760 202 HA TRP 29 HA TRP 29 9.365 0.783 -7.162 203 HB2 TRP 29 HB3 TRP 29 6.962 0.963 -6.728 204 HB3 TRP 29 HB2 TRP 29 6.780 2.048 -8.105 205 HD1 TRP 29 HD1 TRP 29 7.401 -1.661 -7.291 206 HE1 TRP 29 HE1 TRP 29 6.950 -3.057 -9.410 207 HE3 TRP 29 HE3 TRP 29 6.685 2.152 -10.603 208 HZ2 TRP 29 HZ2 TRP 29 6.377 -2.578 -12.133 209 HZ3 TRP 29 HZ3 TRP 29 6.186 1.602 -12.937 210 HH2 TRP 29 HH2 TRP 29 6.037 -0.711 -13.691 211 H ARG 30 H ARG 30 10.734 0.462 -8.679 212 HA ARG 30 HA ARG 30 10.647 2.145 -11.094 213 HB2 ARG 30 HB2 ARG 30 12.554 2.768 -9.770 214 HB3 ARG 30 HB3 ARG 30 12.988 1.078 -9.509 215 HG2 ARG 30 HG2 ARG 30 12.868 1.759 -12.314 216 HG3 ARG 30 HG3 ARG 30 14.019 2.762 -11.431 217 HD2 ARG 30 HD2 ARG 30 15.145 0.844 -10.587 218 HD3 ARG 30 HD3 ARG 30 13.921 -0.247 -11.228 219 HE ARG 30 HE ARG 30 15.239 1.350 -13.236 220 HH11 ARG 30 HH11 ARG 30 15.485 -1.556 -11.307 221 HH12 ARG 30 HH12 ARG 30 16.479 -2.392 -12.460 222 HH21 ARG 30 HH21 ARG 30 16.565 0.265 -14.753 223 HH22 ARG 30 HH22 ARG 30 17.088 -1.357 -14.422 224 H SER 31 H SER 31 10.355 0.994 -12.944 225 HA SER 31 HA SER 31 9.809 -1.732 -12.916 226 HB2 SER 31 HB3 SER 31 10.712 -0.068 -15.279 227 HB3 SER 31 HB2 SER 31 9.834 -1.593 -15.357 228 HG SER 31 HG SER 31 8.706 0.471 -13.858 229 H THR 32 H THR 32 10.975 -3.526 -13.414 230 HA THR 32 HA THR 32 13.646 -3.667 -12.653 231 HB THR 32 HB THR 32 12.259 -5.608 -14.512 232 HG1 THR 32 HG1 THR 32 12.261 -5.544 -11.658 233 HG21 THR 32 HG21 THR 32 13.724 -7.255 -13.450 234 HG22 THR 32 HG22 THR 32 14.453 -5.985 -12.469 235 HG23 THR 32 HG23 THR 32 14.668 -5.980 -14.219 236 H ASP 33 H ASP 33 12.182 -3.214 -15.815 237 HA ASP 33 HA ASP 33 14.678 -3.360 -17.239 238 HB2 ASP 33 HB2 ASP 33 11.858 -2.680 -18.080 239 HB3 ASP 33 HB3 ASP 33 13.216 -2.807 -19.174 240 H GLY 34 H GLY 34 13.234 -1.058 -15.359 241 HA2 GLY 34 HA3 GLY 34 13.871 1.133 -14.994 242 HA3 GLY 34 HA2 GLY 34 14.930 1.023 -16.391 243 H ASP 35 H ASP 35 11.635 0.130 -16.834 244 HA ASP 35 HA ASP 35 11.316 2.127 -18.821 245 HB2 ASP 35 HB2 ASP 35 10.298 -0.114 -18.989 246 HB3 ASP 35 HB3 ASP 35 9.213 0.327 -17.679 247 H LYS 36 H LYS 36 9.061 1.528 -16.140 248 HA LYS 36 HA LYS 36 8.750 4.448 -15.966 249 HB2 LYS 36 HB2 LYS 36 6.411 4.144 -15.401 250 HB3 LYS 36 HB3 LYS 36 6.769 3.331 -16.915 251 HG2 LYS 36 HG2 LYS 36 7.030 1.584 -14.615 252 HG3 LYS 36 HG3 LYS 36 5.412 2.258 -14.805 253 HD2 LYS 36 HD2 LYS 36 6.883 0.973 -17.069 254 HD3 LYS 36 HD3 LYS 36 5.875 0.059 -15.957 255 HE2 LYS 36 HE2 LYS 36 4.360 0.521 -17.561 256 HE3 LYS 36 HE3 LYS 36 4.132 1.934 -16.553 257 HZ1 LYS 36 HZ1 LYS 36 5.928 1.883 -18.918 258 HZ2 LYS 36 HZ2 LYS 36 5.435 3.237 -18.032 259 HZ3 LYS 36 HZ3 LYS 36 4.315 2.398 -18.979 260 H VAL 37 H VAL 37 8.232 5.344 -13.886 261 HA VAL 37 HA VAL 37 9.105 3.682 -11.606 262 HB VAL 37 HB VAL 37 10.041 6.507 -12.182 263 HG11 VAL 37 HG21 VAL 37 9.762 6.118 -9.800 264 HG12 VAL 37 HG22 VAL 37 11.475 6.207 -10.212 265 HG13 VAL 37 HG23 VAL 37 10.719 4.642 -9.912 266 HG21 VAL 37 HG13 VAL 37 11.134 4.864 -13.624 267 HG22 VAL 37 HG11 VAL 37 11.583 3.914 -12.209 268 HG23 VAL 37 HG12 VAL 37 12.263 5.525 -12.440 269 H HIS 38 H HIS 38 7.761 3.873 -9.877 270 HA HIS 38 HA HIS 38 6.086 6.287 -9.662 271 HB2 HIS 38 HB3 HIS 38 4.750 4.283 -10.228 272 HB3 HIS 38 HB2 HIS 38 5.360 3.509 -8.774 273 HD1 HIS 38 HD1 HIS 38 2.753 5.755 -9.995 274 HD2 HIS 38 HD2 HIS 38 4.413 4.785 -6.288 275 HE1 HIS 38 HE1 HIS 38 1.155 6.648 -8.282 276 HE2 HIS 38 HE2 HIS 38 2.332 6.318 -6.087 277 H THR 39 H THR 39 6.992 7.473 -8.076 278 HA THR 39 HA THR 39 7.987 6.119 -5.683 279 HB THR 39 HB THR 39 7.954 9.101 -6.207 280 HG1 THR 39 HG1 THR 39 10.333 8.356 -6.748 281 HG21 THR 39 HG21 THR 39 9.771 7.373 -4.525 282 HG22 THR 39 HG22 THR 39 8.431 8.338 -3.906 283 HG23 THR 39 HG23 THR 39 9.820 9.130 -4.652 284 H VAL 40 H VAL 40 6.915 6.246 -3.682 285 HA VAL 40 HA VAL 40 4.518 7.969 -3.606 286 HB VAL 40 HB VAL 40 3.925 5.550 -3.943 287 HG11 VAL 40 HG21 VAL 40 3.903 4.306 -1.704 288 HG12 VAL 40 HG22 VAL 40 5.321 5.321 -1.395 289 HG13 VAL 40 HG23 VAL 40 5.276 4.258 -2.813 290 HG21 VAL 40 HG13 VAL 40 2.108 5.554 -2.319 291 HG22 VAL 40 HG11 VAL 40 2.311 7.150 -3.043 292 HG23 VAL 40 HG12 VAL 40 2.914 6.836 -1.414 293 H VAL 41 H VAL 41 4.077 9.052 -1.717 294 HA VAL 41 HA VAL 41 6.264 9.191 0.194 295 HB VAL 41 HB VAL 41 3.814 10.956 0.003 296 HG11 VAL 41 HG21 VAL 41 5.176 12.532 1.367 297 HG12 VAL 41 HG22 VAL 41 6.401 11.275 1.529 298 HG13 VAL 41 HG23 VAL 41 4.793 11.030 2.209 299 HG21 VAL 41 HG13 VAL 41 5.284 12.595 -1.072 300 HG22 VAL 41 HG11 VAL 41 5.137 11.121 -2.029 301 HG23 VAL 41 HG12 VAL 41 6.591 11.412 -1.077 302 H LEU 42 H LEU 42 6.172 7.875 1.775 303 HA LEU 42 HA LEU 42 4.076 6.395 2.762 304 HB2 LEU 42 HB2 LEU 42 6.671 7.268 3.957 305 HB3 LEU 42 HB3 LEU 42 5.514 6.361 4.914 306 HG LEU 42 HG LEU 42 7.381 5.045 3.788 307 HD11 LEU 42 HD11 LEU 42 4.530 4.240 3.233 308 HD12 LEU 42 HD12 LEU 42 5.333 4.111 4.799 309 HD13 LEU 42 HD13 LEU 42 5.916 3.171 3.433 310 HD21 LEU 42 HD21 LEU 42 6.968 4.337 1.488 311 HD22 LEU 42 HD22 LEU 42 7.293 6.069 1.581 312 HD23 LEU 42 HD23 LEU 42 5.638 5.490 1.367 313 H SER 43 H SER 43 4.938 9.695 3.580 314 HA SER 43 HA SER 43 3.315 9.734 5.943 315 HB2 SER 43 HB3 SER 43 4.557 11.970 4.364 316 HB3 SER 43 HB2 SER 43 3.708 12.187 5.894 317 HG SER 43 HG SER 43 5.466 10.230 6.203 318 H THR 44 H THR 44 2.873 10.677 2.567 319 HA THR 44 HA THR 44 0.215 11.664 2.984 320 HB THR 44 HB THR 44 -0.012 11.536 0.515 321 HG1 THR 44 HG1 THR 44 1.991 9.787 0.745 322 HG21 THR 44 HG21 THR 44 1.738 13.177 -0.027 323 HG22 THR 44 HG22 THR 44 2.559 12.785 1.483 324 HG23 THR 44 HG23 THR 44 0.962 13.531 1.516 325 H ILE 45 H ILE 45 1.656 8.630 2.836 326 HA ILE 45 HA ILE 45 -0.701 7.123 2.264 327 HB ILE 45 HB ILE 45 1.912 6.299 3.520 328 HG12 ILE 45 HG13 ILE 45 2.116 7.105 1.181 329 HG13 ILE 45 HG12 ILE 45 2.483 5.397 1.343 330 HG21 ILE 45 HG21 ILE 45 1.253 4.053 3.169 331 HG22 ILE 45 HG22 ILE 45 -0.199 4.552 2.310 332 HG23 ILE 45 HG23 ILE 45 -0.050 4.856 4.042 333 HD11 ILE 45 HD11 ILE 45 0.027 6.655 0.165 334 HD12 ILE 45 HD12 ILE 45 0.093 4.952 0.611 335 HD13 ILE 45 HD13 ILE 45 1.197 5.586 -0.611 336 H ASP 46 H ASP 46 -2.308 6.799 3.624 337 HA ASP 46 HA ASP 46 -2.215 7.529 6.382 338 HB2 ASP 46 HB2 ASP 46 -4.254 7.689 4.939 339 HB3 ASP 46 HB3 ASP 46 -4.331 5.934 4.927 340 H LYS 47 H LYS 47 -2.434 4.442 4.625 341 HA LYS 47 HA LYS 47 -1.363 3.033 6.966 342 HB2 LYS 47 HB2 LYS 47 -3.798 2.029 5.463 343 HB3 LYS 47 HB3 LYS 47 -3.016 1.267 6.836 344 HG2 LYS 47 HG2 LYS 47 -4.389 3.939 6.958 345 HG3 LYS 47 HG3 LYS 47 -5.134 2.405 7.406 346 HD2 LYS 47 HD2 LYS 47 -3.337 2.079 9.072 347 HD3 LYS 47 HD3 LYS 47 -2.709 3.674 8.668 348 HE2 LYS 47 HE2 LYS 47 -5.488 3.133 9.702 349 HE3 LYS 47 HE3 LYS 47 -4.127 3.641 10.700 350 HZ1 LYS 47 HZ1 LYS 47 -3.984 5.676 9.437 351 HZ2 LYS 47 HZ2 LYS 47 -5.538 5.499 10.074 352 HZ3 LYS 47 HZ3 LYS 47 -5.257 5.192 8.431 353 H LEU 48 H LEU 48 -0.626 0.827 6.386 354 HA LEU 48 HA LEU 48 -0.339 0.421 3.485 355 HB2 LEU 48 HB2 LEU 48 1.866 0.855 4.079 356 HB3 LEU 48 HB3 LEU 48 1.688 0.065 5.643 357 HG LEU 48 HG LEU 48 1.440 -2.109 4.360 358 HD11 LEU 48 HD11 LEU 48 2.845 -0.662 2.169 359 HD12 LEU 48 HD12 LEU 48 1.089 -0.799 2.175 360 HD13 LEU 48 HD13 LEU 48 2.088 -2.252 2.144 361 HD21 LEU 48 HD21 LEU 48 4.103 -1.470 3.677 362 HD22 LEU 48 HD22 LEU 48 3.503 -2.389 5.055 363 HD23 LEU 48 HD23 LEU 48 3.697 -0.633 5.175 364 H GLN 49 H GLN 49 -0.631 -1.597 2.789 365 HA GLN 49 HA GLN 49 -1.703 -3.548 4.712 366 HB2 GLN 49 HB2 GLN 49 -2.469 -3.254 1.814 367 HB3 GLN 49 HB3 GLN 49 -3.169 -4.368 2.972 368 HG2 GLN 49 HG2 GLN 49 -3.353 -1.383 3.215 369 HG3 GLN 49 HG3 GLN 49 -4.571 -2.384 2.431 370 HE21 GLN 49 HE21 GLN 49 -5.759 -3.866 3.703 371 HE22 GLN 49 HE22 GLN 49 -5.947 -3.608 5.404 372 H ALA 50 H ALA 50 -1.365 -5.718 4.167 373 HA ALA 50 HA ALA 50 0.309 -6.491 1.970 374 HB1 ALA 50 HB1 ALA 50 2.143 -7.389 3.323 375 HB2 ALA 50 HB2 ALA 50 1.391 -6.763 4.789 376 HB3 ALA 50 HB3 ALA 50 2.016 -5.645 3.571 377 H THR 51 H THR 51 0.398 -8.824 1.840 378 HA THR 51 HA THR 51 -2.006 -10.090 2.530 379 HB THR 51 HB THR 51 -0.729 -12.215 2.000 380 HG1 THR 51 HG1 THR 51 1.350 -11.015 2.595 381 HG21 THR 51 HG21 THR 51 -0.657 -9.943 0.029 382 HG22 THR 51 HG22 THR 51 -1.966 -11.103 0.264 383 HG23 THR 51 HG23 THR 51 -0.418 -11.637 -0.396 384 HA PRO 52 HA PRO 52 -1.213 -11.010 6.851 385 HB2 PRO 52 HB3 PRO 52 -3.650 -12.112 7.245 386 HB3 PRO 52 HB2 PRO 52 -3.424 -10.367 7.117 387 HG2 PRO 52 HG3 PRO 52 -4.281 -12.323 5.023 388 HG3 PRO 52 HG2 PRO 52 -4.989 -10.763 5.438 389 HD2 PRO 52 HD2 PRO 52 -3.339 -11.076 3.354 390 HD3 PRO 52 HD3 PRO 52 -3.336 -9.600 4.314 391 H ALA 53 H ALA 53 -1.309 -13.010 8.166 392 HA ALA 53 HA ALA 53 -0.325 -15.316 6.942 393 HB1 ALA 53 HB1 ALA 53 -0.138 -14.879 9.346 394 HB2 ALA 53 HB2 ALA 53 -0.841 -16.464 9.030 395 HB3 ALA 53 HB3 ALA 53 -1.875 -15.124 9.524 396 H SER 54 H SER 54 -3.579 -14.155 7.328 397 HA SER 54 HA SER 54 -4.956 -16.565 6.744 398 HB2 SER 54 HB3 SER 54 -5.821 -13.698 6.294 399 HB3 SER 54 HB2 SER 54 -6.881 -15.104 6.328 400 HG SER 54 HG SER 54 -6.143 -13.606 8.361 401 H SER 55 H SER 55 -3.341 -14.201 4.818 402 HA SER 55 HA SER 55 -4.512 -15.127 2.327 403 HB2 SER 55 HB3 SER 55 -3.925 -12.702 2.681 404 HB3 SER 55 HB2 SER 55 -2.234 -13.181 2.764 405 HG SER 55 HG SER 55 -3.999 -13.282 0.562 406 H GLU 56 H GLU 56 -3.443 -16.348 0.807 407 HA GLU 56 HA GLU 56 -1.150 -17.849 1.794 408 HB2 GLU 56 HB2 GLU 56 -2.594 -18.352 -0.766 409 HB3 GLU 56 HB3 GLU 56 -1.685 -19.486 0.210 410 HG2 GLU 56 HG3 GLU 56 -3.732 -20.149 0.829 411 HG3 GLU 56 HG2 GLU 56 -3.581 -18.815 1.967 412 H LYS 57 H LYS 57 -1.665 -15.138 0.022 413 HA LYS 57 HA LYS 57 0.409 -15.684 -1.977 414 HB2 LYS 57 HB2 LYS 57 -1.408 -13.306 -1.923 415 HB3 LYS 57 HB3 LYS 57 -0.546 -13.976 -3.294 416 HG2 LYS 57 HG2 LYS 57 -2.866 -15.257 -1.871 417 HG3 LYS 57 HG3 LYS 57 -2.937 -14.442 -3.429 418 HD2 LYS 57 HD2 LYS 57 -1.318 -16.888 -2.792 419 HD3 LYS 57 HD3 LYS 57 -2.876 -16.901 -3.608 420 HE2 LYS 57 HE2 LYS 57 -0.384 -15.537 -4.601 421 HE3 LYS 57 HE3 LYS 57 -0.978 -17.092 -5.171 422 HZ1 LYS 57 HZ1 LYS 57 -1.603 -15.256 -6.642 423 HZ2 LYS 57 HZ2 LYS 57 -2.461 -14.526 -5.385 424 HZ3 LYS 57 HZ3 LYS 57 -2.960 -16.021 -5.991 425 H MET 58 H MET 58 1.392 -13.332 -2.627 426 HA MET 58 HA MET 58 2.245 -11.966 -0.167 427 HB2 MET 58 HB3 MET 58 4.302 -11.631 -2.056 428 HB3 MET 58 HB2 MET 58 4.389 -12.527 -0.565 429 HG2 MET 58 HG3 MET 58 5.204 -13.768 -2.529 430 HG3 MET 58 HG2 MET 58 3.901 -14.586 -1.690 431 HE1 MET 58 HE1 MET 58 4.952 -15.297 -4.642 432 HE2 MET 58 HE2 MET 58 3.424 -15.576 -5.478 433 HE3 MET 58 HE3 MET 58 3.656 -16.184 -3.840 434 H MET 59 H MET 59 1.464 -9.951 -0.281 435 HA MET 59 HA MET 59 1.950 -8.341 -2.611 436 HB2 MET 59 HB3 MET 59 -0.569 -9.661 -2.327 437 HB3 MET 59 HB2 MET 59 -0.808 -7.926 -2.183 438 HG2 MET 59 HG3 MET 59 0.132 -7.526 -4.311 439 HG3 MET 59 HG2 MET 59 0.727 -9.179 -4.446 440 HE1 MET 59 HE1 MET 59 -2.647 -11.169 -4.838 441 HE2 MET 59 HE2 MET 59 -2.004 -10.704 -3.265 442 HE3 MET 59 HE3 MET 59 -0.913 -11.276 -4.526 443 H LEU 60 H LEU 60 2.091 -6.205 -2.133 444 HA LEU 60 HA LEU 60 1.141 -5.328 0.535 445 HB2 LEU 60 HB2 LEU 60 3.437 -4.566 -1.128 446 HB3 LEU 60 HB3 LEU 60 2.591 -3.227 -0.391 447 HG LEU 60 HG LEU 60 2.886 -4.567 1.810 448 HD11 LEU 60 HD11 LEU 60 3.715 -6.632 0.828 449 HD12 LEU 60 HD12 LEU 60 4.933 -5.880 1.870 450 HD13 LEU 60 HD13 LEU 60 5.074 -5.753 0.114 451 HD21 LEU 60 HD21 LEU 60 5.162 -3.585 2.038 452 HD22 LEU 60 HD22 LEU 60 3.917 -2.474 1.471 453 HD23 LEU 60 HD23 LEU 60 5.074 -3.159 0.331 454 H ARG 61 H ARG 61 0.285 -3.127 0.657 455 HA ARG 61 HA ARG 61 -0.712 -1.854 -1.738 456 HB2 ARG 61 HB2 ARG 61 -2.345 -3.709 -0.499 457 HB3 ARG 61 HB3 ARG 61 -2.884 -2.194 0.185 458 HG2 ARG 61 HG2 ARG 61 -2.689 -2.741 -2.748 459 HG3 ARG 61 HG3 ARG 61 -4.154 -2.913 -1.788 460 HD2 ARG 61 HD2 ARG 61 -4.155 -0.568 -1.274 461 HD3 ARG 61 HD3 ARG 61 -2.607 -0.352 -2.091 462 HE ARG 61 HE ARG 61 -3.697 -0.337 -4.115 463 HH11 ARG 61 HH11 ARG 61 -5.908 -1.572 -1.675 464 HH12 ARG 61 HH12 ARG 61 -7.285 -1.503 -2.734 465 HH21 ARG 61 HH21 ARG 61 -5.523 -0.263 -5.486 466 HH22 ARG 61 HH22 ARG 61 -7.074 -0.759 -4.881 467 H LEU 62 H LEU 62 -0.101 0.225 -1.350 468 HA LEU 62 HA LEU 62 -0.043 1.163 1.421 469 HB2 LEU 62 HB2 LEU 62 1.384 1.913 -1.069 470 HB3 LEU 62 HB3 LEU 62 1.095 3.190 0.087 471 HG LEU 62 HG LEU 62 2.301 0.584 0.950 472 HD11 LEU 62 HD11 LEU 62 4.518 1.511 0.690 473 HD12 LEU 62 HD12 LEU 62 3.841 2.990 -0.006 474 HD13 LEU 62 HD13 LEU 62 3.699 1.461 -0.876 475 HD21 LEU 62 HD21 LEU 62 1.444 2.167 2.627 476 HD22 LEU 62 HD22 LEU 62 2.599 3.362 2.031 477 HD23 LEU 62 HD23 LEU 62 3.176 1.864 2.759 478 H ILE 63 H ILE 63 -1.621 2.302 2.187 479 HA ILE 63 HA ILE 63 -3.784 3.238 0.491 480 HB ILE 63 HB ILE 63 -3.633 3.563 3.473 481 HG12 ILE 63 HG13 ILE 63 -3.007 1.222 2.980 482 HG13 ILE 63 HG12 ILE 63 -4.542 1.349 3.827 483 HG21 ILE 63 HG21 ILE 63 -6.025 3.389 3.400 484 HG22 ILE 63 HG22 ILE 63 -5.981 2.984 1.688 485 HG23 ILE 63 HG23 ILE 63 -5.493 4.591 2.223 486 HD11 ILE 63 HD11 ILE 63 -4.634 -0.320 2.104 487 HD12 ILE 63 HD12 ILE 63 -4.181 0.877 0.891 488 HD13 ILE 63 HD13 ILE 63 -5.720 1.017 1.740 489 H GLY 64 H GLY 64 -3.246 5.256 -0.425 490 HA2 GLY 64 HA3 GLY 64 -1.965 7.314 1.114 491 HA3 GLY 64 HA2 GLY 64 -2.713 7.523 -0.452 492 H LYS 65 H LYS 65 -2.897 9.170 2.042 493 HA LYS 65 HA LYS 65 -5.261 8.730 3.436 494 HB2 LYS 65 HB2 LYS 65 -3.631 11.172 2.905 495 HB3 LYS 65 HB3 LYS 65 -5.230 11.363 3.607 496 HG2 LYS 65 HG2 LYS 65 -4.034 11.219 5.521 497 HG3 LYS 65 HG3 LYS 65 -4.301 9.508 5.264 498 HD2 LYS 65 HD2 LYS 65 -2.120 9.232 4.355 499 HD3 LYS 65 HD3 LYS 65 -1.864 10.974 4.300 500 HE2 LYS 65 HE2 LYS 65 -2.268 9.380 6.817 501 HE3 LYS 65 HE3 LYS 65 -0.700 9.873 6.188 502 HZ1 LYS 65 HZ1 LYS 65 -1.475 12.200 6.377 503 HZ2 LYS 65 HZ2 LYS 65 -1.375 11.404 7.863 504 HZ3 LYS 65 HZ3 LYS 65 -2.881 11.647 7.138 505 H VAL 66 H VAL 66 -7.320 9.083 3.125 506 HA VAL 66 HA VAL 66 -8.369 9.633 0.547 507 HB VAL 66 HB VAL 66 -9.447 8.163 2.251 508 HG11 VAL 66 HG21 VAL 66 -10.159 10.763 3.586 509 HG12 VAL 66 HG22 VAL 66 -9.137 9.481 4.234 510 HG13 VAL 66 HG23 VAL 66 -10.859 9.196 3.987 511 HG21 VAL 66 HG13 VAL 66 -11.252 10.368 1.270 512 HG22 VAL 66 HG11 VAL 66 -11.744 8.742 1.738 513 HG23 VAL 66 HG12 VAL 66 -10.724 8.981 0.319 514 H ASP 67 H ASP 67 -10.198 11.319 0.380 515 HA ASP 67 HA ASP 67 -9.088 13.837 0.286 516 HB2 ASP 67 HB2 ASP 67 -10.953 13.328 -1.113 517 HB3 ASP 67 HB3 ASP 67 -11.963 12.917 0.269 518 H GLU 68 H GLU 68 -9.293 15.651 1.479 519 HA GLU 68 HA GLU 68 -8.917 15.300 4.209 520 HB2 GLU 68 HB2 GLU 68 -9.363 17.789 2.613 521 HB3 GLU 68 HB3 GLU 68 -8.890 17.792 4.302 522 HG2 GLU 68 HG3 GLU 68 -7.339 16.538 2.053 523 HG3 GLU 68 HG2 GLU 68 -7.002 18.102 2.788 524 H SER 69 H SER 69 -11.924 15.524 2.648 525 HA SER 69 HA SER 69 -13.301 16.650 4.917 526 HB2 SER 69 HB3 SER 69 -14.278 16.970 2.743 527 HB3 SER 69 HB2 SER 69 -14.316 15.235 2.450 528 HG SER 69 HG SER 69 -15.926 15.011 3.925 529 H LYS 70 H LYS 70 -11.884 13.724 4.231 530 HA LYS 70 HA LYS 70 -12.167 11.562 4.756 531 HB2 LYS 70 HB2 LYS 70 -12.457 13.017 7.324 532 HB3 LYS 70 HB3 LYS 70 -12.397 11.265 7.270 533 HG2 LYS 70 HG2 LYS 70 -10.210 11.958 7.688 534 HG3 LYS 70 HG3 LYS 70 -10.224 11.524 5.993 535 HD2 LYS 70 HD2 LYS 70 -10.436 13.900 5.417 536 HD3 LYS 70 HD3 LYS 70 -10.391 14.312 7.131 537 HE2 LYS 70 HE2 LYS 70 -8.205 14.645 6.153 538 HE3 LYS 70 HE3 LYS 70 -8.155 13.302 7.293 539 HZ1 LYS 70 HZ1 LYS 70 -8.322 13.062 4.337 540 HZ2 LYS 70 HZ2 LYS 70 -8.298 11.767 5.424 541 HZ3 LYS 70 HZ3 LYS 70 -6.951 12.773 5.281 542 H LYS 71 H LYS 71 -14.437 12.283 7.302 543 HA LYS 71 HA LYS 71 -16.011 10.126 6.394 544 HB2 LYS 71 HB2 LYS 71 -16.646 12.048 8.610 545 HB3 LYS 71 HB3 LYS 71 -17.415 10.506 8.322 546 HG2 LYS 71 HG2 LYS 71 -15.264 9.391 8.760 547 HG3 LYS 71 HG3 LYS 71 -14.561 10.969 9.143 548 HD2 LYS 71 HD2 LYS 71 -16.990 9.852 10.493 549 HD3 LYS 71 HD3 LYS 71 -15.359 9.658 11.139 550 HE2 LYS 71 HE2 LYS 71 -15.158 12.076 11.308 551 HE3 LYS 71 HE3 LYS 71 -16.746 12.265 10.572 552 HZ1 LYS 71 HZ1 LYS 71 -17.720 11.102 12.458 553 HZ2 LYS 71 HZ2 LYS 71 -16.893 12.494 12.954 554 HZ3 LYS 71 HZ3 LYS 71 -16.193 10.975 13.184 555 H ARG 72 H ARG 72 -17.694 10.096 5.176 556 HA ARG 72 HA ARG 72 -19.242 12.559 4.732 557 HB2 ARG 72 HB2 ARG 72 -19.852 11.752 2.626 558 HB3 ARG 72 HB3 ARG 72 -18.226 11.107 2.764 559 HG2 ARG 72 HG2 ARG 72 -19.157 8.975 3.492 560 HG3 ARG 72 HG3 ARG 72 -20.784 9.618 3.275 561 HD2 ARG 72 HD2 ARG 72 -18.679 9.188 1.161 562 HD3 ARG 72 HD3 ARG 72 -20.208 8.334 1.337 563 HE ARG 72 HE ARG 72 -20.621 11.130 1.007 564 HH11 ARG 72 HH11 ARG 72 -19.896 8.185 -0.726 565 HH12 ARG 72 HH12 ARG 72 -20.473 8.784 -2.247 566 HH21 ARG 72 HH21 ARG 72 -21.377 11.931 -1.002 567 HH22 ARG 72 HH22 ARG 72 -21.315 10.912 -2.403 568 H LYS 73 H LYS 73 -21.716 11.887 4.483 569 HA LYS 73 HA LYS 73 -22.302 9.688 6.298 570 HB2 LYS 73 HB2 LYS 73 -24.016 12.074 6.490 571 HB3 LYS 73 HB3 LYS 73 -23.725 10.826 7.677 572 HG2 LYS 73 HG2 LYS 73 -22.606 12.534 8.662 573 HG3 LYS 73 HG3 LYS 73 -21.301 11.907 7.647 574 HD2 LYS 73 HD2 LYS 73 -22.228 13.518 5.880 575 HD3 LYS 73 HD3 LYS 73 -23.036 14.310 7.226 576 HE2 LYS 73 HE2 LYS 73 -20.070 13.821 7.019 577 HE3 LYS 73 HE3 LYS 73 -20.868 15.354 6.680 578 HZ1 LYS 73 HZ1 LYS 73 -20.848 13.952 9.298 579 HZ2 LYS 73 HZ2 LYS 73 -21.640 15.408 8.976 580 HZ3 LYS 73 HZ3 LYS 73 -19.952 15.331 8.908 581 H ASP 74 H ASP 74 -24.577 8.944 6.152 582 HA ASP 74 HA ASP 74 -25.394 8.974 3.373 583 HB2 ASP 74 HB2 ASP 74 -25.267 6.920 4.985 584 HB3 ASP 74 HB3 ASP 74 -26.818 7.507 5.548 585 H ASN 75 H ASN 75 -28.195 8.659 3.720 586 HA ASN 75 HA ASN 75 -28.933 11.330 3.540 587 HB2 ASN 75 HB2 ASN 75 -30.153 9.482 2.504 588 HB3 ASN 75 HB3 ASN 75 -30.702 8.952 4.090 589 HD21 ASN 75 HD21 ASN 75 -32.301 10.090 5.140 590 HD22 ASN 75 HD22 ASN 75 -33.234 11.309 4.354 591 H GLU 76 H GLU 76 -28.749 9.304 6.380 592 HA GLU 76 HA GLU 76 -30.362 11.232 7.903 593 HB2 GLU 76 HB2 GLU 76 -29.404 8.476 8.682 594 HB3 GLU 76 HB3 GLU 76 -30.425 9.518 9.663 595 HG2 GLU 76 HG3 GLU 76 -31.187 8.600 6.923 596 HG3 GLU 76 HG2 GLU 76 -31.597 7.696 8.385 597 H GLY 77 H GLY 77 -27.282 10.826 7.053 598 HA2 GLY 77 HA3 GLY 77 -25.335 11.818 7.915 599 HA3 GLY 77 HA2 GLY 77 -26.251 12.250 9.360 600 H ASN 78 H ASN 78 -26.203 9.032 8.111 601 HA ASN 78 HA ASN 78 -25.615 7.799 10.545 602 HB2 ASN 78 HB2 ASN 78 -25.376 6.771 7.743 603 HB3 ASN 78 HB3 ASN 78 -25.283 5.756 9.171 604 HD21 ASN 78 HD21 ASN 78 -27.245 7.496 7.022 605 HD22 ASN 78 HD22 ASN 78 -28.766 7.007 7.629 606 H GLU 79 H GLU 79 -23.621 8.573 7.838 607 HA GLU 79 HA GLU 79 -21.395 9.243 7.884 608 HB2 GLU 79 HB2 GLU 79 -21.155 7.559 10.330 609 HB3 GLU 79 HB3 GLU 79 -19.773 8.263 9.520 610 HG2 GLU 79 HG3 GLU 79 -20.872 10.499 9.874 611 HG3 GLU 79 HG2 GLU 79 -22.032 9.662 10.906 612 H VAL 80 H VAL 80 -20.494 8.510 6.170 613 HA VAL 80 HA VAL 80 -19.808 5.631 6.017 614 HB VAL 80 HB VAL 80 -19.985 7.289 3.541 615 HG11 VAL 80 HG21 VAL 80 -20.522 4.378 4.111 616 HG12 VAL 80 HG22 VAL 80 -19.047 5.062 3.427 617 HG13 VAL 80 HG23 VAL 80 -20.558 5.137 2.519 618 HG21 VAL 80 HG13 VAL 80 -22.411 5.995 4.800 619 HG22 VAL 80 HG11 VAL 80 -22.343 6.713 3.193 620 HG23 VAL 80 HG12 VAL 80 -22.142 7.728 4.622 621 H VAL 81 H VAL 81 -17.672 5.231 5.233 622 HA VAL 81 HA VAL 81 -16.056 7.667 5.064 623 HB VAL 81 HB VAL 81 -15.383 6.462 7.021 624 HG11 VAL 81 HG21 VAL 81 -14.986 4.057 5.253 625 HG12 VAL 81 HG22 VAL 81 -16.228 4.257 6.486 626 HG13 VAL 81 HG23 VAL 81 -14.531 4.166 6.953 627 HG21 VAL 81 HG13 VAL 81 -13.593 7.513 5.766 628 HG22 VAL 81 HG11 VAL 81 -13.374 6.045 4.813 629 HG23 VAL 81 HG12 VAL 81 -13.016 6.038 6.539 630 HA PRO 82 HA PRO 82 -15.716 6.595 0.700 631 HB2 PRO 82 HB3 PRO 82 -13.838 8.858 1.080 632 HB3 PRO 82 HB2 PRO 82 -15.073 8.621 -0.146 633 HG2 PRO 82 HG3 PRO 82 -15.387 10.276 1.897 634 HG3 PRO 82 HG2 PRO 82 -16.737 9.438 1.167 635 HD2 PRO 82 HD2 PRO 82 -15.499 9.050 3.767 636 HD3 PRO 82 HD3 PRO 82 -17.108 8.571 3.200 637 H LYS 83 H LYS 83 -14.144 5.388 -0.325 638 HA LYS 83 HA LYS 83 -11.985 4.520 1.350 639 HB2 LYS 83 HB2 LYS 83 -12.850 2.732 0.297 640 HB3 LYS 83 HB3 LYS 83 -13.107 3.564 -1.233 641 HG2 LYS 83 HG2 LYS 83 -10.650 3.504 -1.586 642 HG3 LYS 83 HG3 LYS 83 -10.493 2.582 -0.090 643 HD2 LYS 83 HD2 LYS 83 -12.045 1.734 -2.535 644 HD3 LYS 83 HD3 LYS 83 -10.466 1.118 -2.048 645 HE2 LYS 83 HE2 LYS 83 -11.453 0.258 0.026 646 HE3 LYS 83 HE3 LYS 83 -13.032 0.861 -0.478 647 HZ1 LYS 83 HZ1 LYS 83 -11.428 -1.195 -1.894 648 HZ2 LYS 83 HZ2 LYS 83 -12.934 -0.614 -2.392 649 HZ3 LYS 83 HZ3 LYS 83 -12.800 -1.489 -0.952 650 HA PRO 84 HA PRO 84 -8.965 7.412 0.050 651 HB2 PRO 84 HB3 PRO 84 -7.106 5.378 1.058 652 HB3 PRO 84 HB2 PRO 84 -7.368 7.035 1.604 653 HG2 PRO 84 HG3 PRO 84 -8.166 4.845 3.004 654 HG3 PRO 84 HG2 PRO 84 -8.950 6.429 3.109 655 HD2 PRO 84 HD2 PRO 84 -9.882 3.951 1.765 656 HD3 PRO 84 HD3 PRO 84 -10.803 5.307 2.438 657 H GLN 85 H GLN 85 -7.183 7.547 -1.393 658 HA GLN 85 HA GLN 85 -7.226 5.581 -3.507 659 HB2 GLN 85 HB2 GLN 85 -5.607 7.179 -4.615 660 HB3 GLN 85 HB3 GLN 85 -7.204 7.824 -4.278 661 HG2 GLN 85 HG2 GLN 85 -6.263 9.503 -3.220 662 HG3 GLN 85 HG3 GLN 85 -5.628 8.372 -2.028 663 HE21 GLN 85 HE21 GLN 85 -3.502 7.659 -2.217 664 HE22 GLN 85 HE22 GLN 85 -2.343 8.485 -3.201 665 H ARG 86 H ARG 86 -5.902 3.938 -3.683 666 HA ARG 86 HA ARG 86 -3.610 3.888 -1.838 667 HB2 ARG 86 HB2 ARG 86 -5.130 1.422 -2.619 668 HB3 ARG 86 HB3 ARG 86 -4.137 1.714 -1.189 669 HG2 ARG 86 HG2 ARG 86 -5.799 3.038 -0.188 670 HG3 ARG 86 HG3 ARG 86 -6.723 3.152 -1.681 671 HD2 ARG 86 HD2 ARG 86 -7.297 0.827 -1.573 672 HD3 ARG 86 HD3 ARG 86 -6.233 0.578 -0.187 673 HE ARG 86 HE ARG 86 -8.348 2.540 0.152 674 HH11 ARG 86 HH11 ARG 86 -7.295 -0.764 0.650 675 HH12 ARG 86 HH12 ARG 86 -8.492 -1.077 1.874 676 HH21 ARG 86 HH21 ARG 86 -9.897 2.117 1.786 677 HH22 ARG 86 HH22 ARG 86 -9.959 0.546 2.512 678 H HIS 87 H HIS 87 -1.940 2.297 -2.397 679 HA HIS 87 HA HIS 87 -1.645 1.944 -5.310 680 HB2 HIS 87 HB3 HIS 87 0.475 2.710 -3.297 681 HB3 HIS 87 HB2 HIS 87 0.771 2.408 -4.997 682 HD1 HIS 87 HD1 HIS 87 -0.856 4.089 -6.606 683 HD2 HIS 87 HD2 HIS 87 0.158 5.321 -2.760 684 HE1 HIS 87 HE1 HIS 87 -1.235 6.574 -6.563 685 HE2 HIS 87 HE2 HIS 87 -0.520 7.315 -4.263 686 H MET 88 H MET 88 -1.530 -0.160 -5.809 687 HA MET 88 HA MET 88 -0.770 -2.044 -3.671 688 HB2 MET 88 HB3 MET 88 -3.091 -2.273 -4.520 689 HB3 MET 88 HB2 MET 88 -2.454 -2.562 -6.132 690 HG2 MET 88 HG3 MET 88 -1.340 -4.577 -5.353 691 HG3 MET 88 HG2 MET 88 -1.932 -4.291 -3.722 692 HE1 MET 88 HE1 MET 88 -5.010 -3.410 -4.136 693 HE2 MET 88 HE2 MET 88 -4.328 -4.512 -2.939 694 HE3 MET 88 HE3 MET 88 -5.700 -5.021 -3.930 695 H PHE 89 H PHE 89 1.071 -3.226 -3.919 696 HA PHE 89 HA PHE 89 1.998 -3.631 -6.682 697 HB2 PHE 89 HB3 PHE 89 3.927 -3.957 -4.464 698 HB3 PHE 89 HB2 PHE 89 4.135 -3.172 -6.028 699 HD1 PHE 89 HD2 PHE 89 3.374 -0.838 -6.351 700 HD2 PHE 89 HD1 PHE 89 3.346 -2.709 -2.534 701 HE1 PHE 89 HE2 PHE 89 3.219 1.368 -5.277 702 HE2 PHE 89 HE1 PHE 89 3.198 -0.509 -1.452 703 HZ PHE 89 HZ PHE 89 3.025 1.527 -2.824 704 H SER 90 H SER 90 2.445 -5.731 -7.270 705 HA SER 90 HA SER 90 1.725 -7.776 -5.310 706 HB2 SER 90 HB3 SER 90 1.981 -7.963 -8.310 707 HB3 SER 90 HB2 SER 90 1.490 -9.278 -7.256 708 HG SER 90 HG SER 90 -0.347 -8.114 -6.702 709 H PHE 91 H PHE 91 3.183 -9.055 -4.459 710 HA PHE 91 HA PHE 91 5.946 -8.713 -5.397 711 HB2 PHE 91 HB3 PHE 91 4.828 -9.476 -2.687 712 HB3 PHE 91 HB2 PHE 91 6.547 -9.342 -3.050 713 HD1 PHE 91 HD1 PHE 91 3.403 -7.325 -3.267 714 HD2 PHE 91 HD2 PHE 91 7.592 -7.344 -2.671 715 HE1 PHE 91 HE1 PHE 91 3.350 -4.924 -2.700 716 HE2 PHE 91 HE2 PHE 91 7.533 -4.967 -2.121 717 HZ PHE 91 HZ PHE 91 5.287 -3.708 -2.368 718 H ASN 92 H ASN 92 7.418 -10.605 -5.029 719 HA ASN 92 HA ASN 92 6.051 -12.919 -6.208 720 HB2 ASN 92 HB2 ASN 92 8.969 -12.112 -6.311 721 HB3 ASN 92 HB3 ASN 92 8.275 -13.516 -7.109 722 HD21 ASN 92 HD21 ASN 92 6.981 -13.223 -8.927 723 HD22 ASN 92 HD22 ASN 92 6.971 -11.738 -9.811 724 H ASN 93 H ASN 93 7.312 -11.907 -3.320 725 HA ASN 93 HA ASN 93 7.634 -14.644 -2.392 726 HB2 ASN 93 HB2 ASN 93 9.878 -13.769 -3.197 727 HB3 ASN 93 HB3 ASN 93 9.791 -12.581 -1.906 728 HD21 ASN 93 HD21 ASN 93 11.739 -14.699 -2.332 729 HD22 ASN 93 HD22 ASN 93 11.701 -15.687 -0.912 730 H ARG 94 H ARG 94 6.852 -14.928 -0.467 731 HA ARG 94 HA ARG 94 5.409 -12.959 0.903 732 HB2 ARG 94 HB2 ARG 94 4.831 -15.293 1.082 733 HB3 ARG 94 HB3 ARG 94 6.386 -15.665 1.785 734 HG2 ARG 94 HG2 ARG 94 4.783 -15.679 3.524 735 HG3 ARG 94 HG3 ARG 94 5.790 -14.240 3.726 736 HD2 ARG 94 HD2 ARG 94 4.072 -12.921 2.576 737 HD3 ARG 94 HD3 ARG 94 3.062 -14.359 2.477 738 HE ARG 94 HE ARG 94 3.949 -13.355 5.093 739 HH11 ARG 94 HH11 ARG 94 1.361 -14.066 2.838 740 HH12 ARG 94 HH12 ARG 94 0.116 -13.931 4.038 741 HH21 ARG 94 HH21 ARG 94 2.318 -13.170 6.664 742 HH22 ARG 94 HH22 ARG 94 0.665 -13.430 6.214 743 H THR 95 H THR 95 8.719 -14.040 1.237 744 HA THR 95 HA THR 95 9.127 -12.847 3.806 745 HB THR 95 HB THR 95 11.152 -13.684 1.722 746 HG1 THR 95 HG1 THR 95 9.616 -15.248 2.956 747 HG21 THR 95 HG21 THR 95 11.529 -13.076 4.653 748 HG22 THR 95 HG22 THR 95 12.014 -12.025 3.323 749 HG23 THR 95 HG23 THR 95 12.779 -13.604 3.523 750 H VAL 96 H VAL 96 10.343 -11.994 0.579 751 HA VAL 96 HA VAL 96 11.423 -9.527 0.997 752 HB VAL 96 HB VAL 96 9.657 -10.302 -1.338 753 HG11 VAL 96 HG21 VAL 96 10.064 -7.909 -1.273 754 HG12 VAL 96 HG22 VAL 96 10.988 -8.638 -2.587 755 HG13 VAL 96 HG23 VAL 96 11.797 -8.180 -1.088 756 HG21 VAL 96 HG13 VAL 96 11.735 -11.002 -2.421 757 HG22 VAL 96 HG11 VAL 96 11.480 -11.900 -0.925 758 HG23 VAL 96 HG12 VAL 96 12.649 -10.581 -0.971 759 H MET 97 H MET 97 8.001 -10.145 0.219 760 HA MET 97 HA MET 97 7.267 -7.422 0.417 761 HB2 MET 97 HB3 MET 97 5.038 -8.155 0.130 762 HB3 MET 97 HB2 MET 97 6.053 -9.243 -0.813 763 HG2 MET 97 HG3 MET 97 5.062 -10.936 0.179 764 HG3 MET 97 HG2 MET 97 5.794 -10.438 1.703 765 HE1 MET 97 HE1 MET 97 4.428 -10.140 3.694 766 HE2 MET 97 HE2 MET 97 2.967 -9.155 3.764 767 HE3 MET 97 HE3 MET 97 4.489 -8.439 3.232 768 H ASP 98 H ASP 98 7.578 -9.992 2.759 769 HA ASP 98 HA ASP 98 6.138 -8.714 4.859 770 HB2 ASP 98 HB2 ASP 98 6.629 -11.094 4.980 771 HB3 ASP 98 HB3 ASP 98 8.358 -10.774 4.927 772 H ASN 99 H ASN 99 9.308 -8.470 3.529 773 HA ASN 99 HA ASN 99 10.456 -6.921 5.672 774 HB2 ASN 99 HB2 ASN 99 11.320 -7.561 2.847 775 HB3 ASN 99 HB3 ASN 99 12.225 -6.447 3.848 776 HD21 ASN 99 HD21 ASN 99 11.563 -9.689 3.108 777 HD22 ASN 99 HD22 ASN 99 12.636 -10.412 4.247 778 H ILE 100 H ILE 100 9.366 -6.279 2.373 779 HA ILE 100 HA ILE 100 9.719 -3.513 2.304 780 HB ILE 100 HB ILE 100 7.617 -5.254 0.978 781 HG12 ILE 100 HG13 ILE 100 9.943 -5.795 0.411 782 HG13 ILE 100 HG12 ILE 100 9.089 -5.119 -0.972 783 HG21 ILE 100 HG21 ILE 100 7.120 -3.478 -0.509 784 HG22 ILE 100 HG22 ILE 100 8.451 -2.504 0.098 785 HG23 ILE 100 HG23 ILE 100 7.040 -2.789 1.113 786 HD11 ILE 100 HD11 ILE 100 10.096 -2.916 -0.414 787 HD12 ILE 100 HD12 ILE 100 11.251 -4.158 -0.907 788 HD13 ILE 100 HD13 ILE 100 11.078 -3.739 0.797 789 H LYS 101 H LYS 101 6.806 -5.395 3.163 790 HA LYS 101 HA LYS 101 5.131 -3.314 3.876 791 HB2 LYS 101 HB2 LYS 101 4.116 -5.412 3.780 792 HB3 LYS 101 HB3 LYS 101 5.369 -6.182 4.744 793 HG2 LYS 101 HG2 LYS 101 4.419 -4.570 6.602 794 HG3 LYS 101 HG3 LYS 101 2.978 -4.648 5.597 795 HD2 LYS 101 HD2 LYS 101 2.685 -6.388 7.123 796 HD3 LYS 101 HD3 LYS 101 3.299 -7.193 5.680 797 HE2 LYS 101 HE2 LYS 101 4.488 -8.136 7.482 798 HE3 LYS 101 HE3 LYS 101 5.609 -7.001 6.728 799 HZ1 LYS 101 HZ1 LYS 101 5.146 -5.408 8.457 800 HZ2 LYS 101 HZ2 LYS 101 5.600 -6.875 9.168 801 HZ3 LYS 101 HZ3 LYS 101 3.974 -6.415 9.143 802 H MET 102 H MET 102 7.412 -5.137 5.929 803 HA MET 102 HA MET 102 6.655 -3.765 8.297 804 HB2 MET 102 HB3 MET 102 8.338 -5.026 9.399 805 HB3 MET 102 HB2 MET 102 7.692 -6.074 8.147 806 HG2 MET 102 HG3 MET 102 9.875 -6.481 7.846 807 HG3 MET 102 HG2 MET 102 9.705 -5.103 6.770 808 HE1 MET 102 HE1 MET 102 10.911 -6.377 10.229 809 HE2 MET 102 HE2 MET 102 9.814 -5.092 10.732 810 HE3 MET 102 HE3 MET 102 11.550 -4.918 10.986 811 H THR 103 H THR 103 8.843 -3.080 5.751 812 HA THR 103 HA THR 103 10.442 -1.150 7.086 813 HB THR 103 HB THR 103 9.725 -1.507 4.174 814 HG1 THR 103 HG1 THR 103 11.010 -3.179 4.852 815 HG21 THR 103 HG21 THR 103 10.324 0.797 4.578 816 HG22 THR 103 HG22 THR 103 11.600 -0.038 3.679 817 HG23 THR 103 HG23 THR 103 11.800 0.285 5.404 818 H LEU 104 H LEU 104 7.710 -0.894 4.854 819 HA LEU 104 HA LEU 104 7.466 1.890 4.992 820 HB2 LEU 104 HB2 LEU 104 5.326 -0.161 4.402 821 HB3 LEU 104 HB3 LEU 104 5.234 1.534 4.015 822 HG LEU 104 HG LEU 104 7.424 -0.140 2.858 823 HD11 LEU 104 HD11 LEU 104 5.949 -0.460 0.885 824 HD12 LEU 104 HD12 LEU 104 4.598 0.045 1.900 825 HD13 LEU 104 HD13 LEU 104 5.509 -1.409 2.302 826 HD21 LEU 104 HD21 LEU 104 7.479 2.292 2.622 827 HD22 LEU 104 HD22 LEU 104 5.901 2.212 1.834 828 HD23 LEU 104 HD23 LEU 104 7.307 1.457 1.081 829 H GLN 105 H GLN 105 5.456 -0.605 6.525 830 HA GLN 105 HA GLN 105 3.879 1.043 8.063 831 HB2 GLN 105 HB2 GLN 105 4.868 -1.732 8.625 832 HB3 GLN 105 HB3 GLN 105 3.730 -0.912 9.683 833 HG2 GLN 105 HG2 GLN 105 2.200 -0.658 7.767 834 HG3 GLN 105 HG3 GLN 105 3.343 -1.581 6.794 835 HE21 GLN 105 HE21 GLN 105 1.731 -3.102 6.394 836 HE22 GLN 105 HE22 GLN 105 1.315 -4.280 7.577 837 H GLN 106 H GLN 106 7.238 0.237 8.638 838 HA GLN 106 HA GLN 106 7.294 0.906 11.391 839 HB2 GLN 106 HB2 GLN 106 9.235 0.461 9.244 840 HB3 GLN 106 HB3 GLN 106 9.778 1.525 10.516 841 HG2 GLN 106 HG2 GLN 106 9.253 -0.228 12.165 842 HG3 GLN 106 HG3 GLN 106 8.794 -1.293 10.837 843 HE21 GLN 106 HE21 GLN 106 10.384 -2.064 9.443 844 HE22 GLN 106 HE22 GLN 106 12.055 -2.071 9.888 845 H ILE 107 H ILE 107 7.409 2.595 8.432 846 HA ILE 107 HA ILE 107 8.047 5.193 9.511 847 HB ILE 107 HB ILE 107 6.910 4.380 6.821 848 HG12 ILE 107 HG13 ILE 107 9.811 4.934 7.350 849 HG13 ILE 107 HG12 ILE 107 9.149 3.324 7.547 850 HG21 ILE 107 HG21 ILE 107 8.346 6.887 7.654 851 HG22 ILE 107 HG22 ILE 107 6.617 6.718 7.330 852 HG23 ILE 107 HG23 ILE 107 7.782 6.499 6.028 853 HD11 ILE 107 HD11 ILE 107 8.378 3.475 5.173 854 HD12 ILE 107 HD12 ILE 107 10.123 3.445 5.400 855 HD13 ILE 107 HD13 ILE 107 9.306 4.967 5.042 856 H ILE 108 H ILE 108 5.232 3.460 8.265 857 HA ILE 108 HA ILE 108 3.493 5.695 8.347 858 HB ILE 108 HB ILE 108 2.539 2.850 8.479 859 HG12 ILE 108 HG13 ILE 108 4.072 4.253 6.355 860 HG13 ILE 108 HG12 ILE 108 4.091 2.564 6.811 861 HG21 ILE 108 HG21 ILE 108 0.972 4.825 8.542 862 HG22 ILE 108 HG22 ILE 108 0.679 3.656 7.259 863 HG23 ILE 108 HG23 ILE 108 1.485 5.183 6.893 864 HD11 ILE 108 HD11 ILE 108 1.895 2.293 5.721 865 HD12 ILE 108 HD12 ILE 108 3.198 2.766 4.628 866 HD13 ILE 108 HD13 ILE 108 2.020 3.964 5.163 867 H SER 109 H SER 109 3.880 2.911 10.535 868 HA SER 109 HA SER 109 2.003 3.729 12.463 869 HB2 SER 109 HB3 SER 109 4.555 2.147 12.859 870 HB3 SER 109 HB2 SER 109 3.209 2.230 13.994 871 HG SER 109 HG SER 109 3.506 0.683 11.795 872 H ARG 110 H ARG 110 5.204 4.703 11.726 873 HA ARG 110 HA ARG 110 5.836 6.118 14.075 874 HB2 ARG 110 HB2 ARG 110 7.723 5.707 12.800 875 HB3 ARG 110 HB3 ARG 110 6.836 5.834 11.316 876 HG2 ARG 110 HG2 ARG 110 6.834 8.197 11.447 877 HG3 ARG 110 HG3 ARG 110 7.739 8.147 12.969 878 HD2 ARG 110 HD2 ARG 110 9.532 6.936 11.811 879 HD3 ARG 110 HD3 ARG 110 8.633 7.049 10.309 880 HE ARG 110 HE ARG 110 9.078 9.619 11.447 881 HH11 ARG 110 HH11 ARG 110 10.629 7.050 9.651 882 HH12 ARG 110 HH12 ARG 110 11.747 8.101 8.844 883 HH21 ARG 110 HH21 ARG 110 10.565 11.021 10.392 884 HH22 ARG 110 HH22 ARG 110 11.717 10.361 9.276 885 H TYR 111 H TYR 111 4.082 6.854 11.129 886 HA TYR 111 HA TYR 111 3.853 9.632 11.915 887 HB2 TYR 111 HB3 TYR 111 3.370 8.155 9.376 888 HB3 TYR 111 HB2 TYR 111 2.577 9.704 9.631 889 HD1 TYR 111 HD2 TYR 111 4.009 11.738 10.103 890 HD2 TYR 111 HD1 TYR 111 5.634 8.042 8.815 891 HE1 TYR 111 HE2 TYR 111 6.088 12.886 9.463 892 HE2 TYR 111 HE1 TYR 111 7.728 9.166 8.161 893 HH TYR 111 HH TYR 111 8.527 12.238 9.184 894 H LYS 112 H LYS 112 2.036 6.714 11.924 895 HA LYS 112 HA LYS 112 -0.528 7.926 12.262 896 HB2 LYS 112 HB2 LYS 112 0.508 5.143 12.841 897 HB3 LYS 112 HB3 LYS 112 -1.132 5.639 13.234 898 HG2 LYS 112 HG2 LYS 112 -1.800 5.468 11.120 899 HG3 LYS 112 HG3 LYS 112 -0.344 6.253 10.501 900 HD2 LYS 112 HD2 LYS 112 -0.226 4.079 9.661 901 HD3 LYS 112 HD3 LYS 112 0.853 4.074 11.039 902 HE2 LYS 112 HE2 LYS 112 -1.938 2.956 10.911 903 HE3 LYS 112 HE3 LYS 112 -0.426 2.074 11.003 904 HZ1 LYS 112 HZ1 LYS 112 -1.547 3.795 13.133 905 HZ2 LYS 112 HZ2 LYS 112 -0.067 2.982 13.217 906 HZ3 LYS 112 HZ3 LYS 112 -1.507 2.106 13.132 907 H ASP 113 H ASP 113 2.101 7.000 14.403 908 HA ASP 113 HA ASP 113 0.619 7.634 16.775 909 HB2 ASP 113 HB2 ASP 113 3.325 6.691 16.088 910 HB3 ASP 113 HB3 ASP 113 3.170 7.629 17.555 911 H ALA 114 H ALA 114 1.795 9.454 14.340 912 HA ALA 114 HA ALA 114 2.371 11.746 16.098 913 HB1 ALA 114 HB1 ALA 114 4.256 11.132 14.664 914 HB2 ALA 114 HB2 ALA 114 3.613 12.716 14.233 915 HB3 ALA 114 HB3 ALA 114 3.233 11.310 13.240 916 H ASP 115 H ASP 115 -0.063 10.415 14.433 917 HA ASP 115 HA ASP 115 -1.190 13.025 13.688 918 HB2 ASP 115 HB2 ASP 115 -0.532 11.896 11.630 919 HB3 ASP 115 HB3 ASP 115 -1.418 10.456 12.109 920 H1 GLY 242 H1 GLY 242 -9.750 0.905 12.133 921 H2 GLY 242 H2 GLY 242 -10.035 2.570 12.155 922 H3 GLY 242 H3 GLY 242 -10.331 1.640 13.535 923 HA2 GLY 242 HA2 GLY 242 -7.662 2.039 12.315 924 HA3 GLY 242 HA3 GLY 242 -8.266 2.923 13.711 925 H GLY 243 H GLY 243 -5.993 1.634 14.118 926 HA2 GLY 243 HA3 GLY 243 -6.687 -0.954 15.337 927 HA3 GLY 243 HA2 GLY 243 -5.060 -0.422 14.930 928 H GLY 244 H GLY 244 -6.717 -1.212 17.483 929 HA2 GLY 244 HA3 GLY 244 -5.346 0.743 19.171 930 HA3 GLY 244 HA2 GLY 244 -7.083 0.575 19.369 931 H GLY 245 H GLY 245 -5.831 0.131 21.578 932 HA2 GLY 245 HA3 GLY 245 -5.929 -1.492 23.244 933 HA3 GLY 245 HA2 GLY 245 -6.170 -2.714 22.004 934 H TYR 246 H TYR 246 -4.520 -3.338 24.018 935 HA TYR 246 HA TYR 246 -1.798 -2.878 23.007 936 HB2 TYR 246 HB3 TYR 246 -2.776 -3.791 25.716 937 HB3 TYR 246 HB2 TYR 246 -1.080 -3.746 25.251 938 HD1 TYR 246 HD2 TYR 246 -0.078 -1.486 24.611 939 HD2 TYR 246 HD1 TYR 246 -3.844 -1.885 26.547 940 HE1 TYR 246 HE2 TYR 246 0.035 0.870 25.305 941 HE2 TYR 246 HE1 TYR 246 -3.741 0.471 27.243 942 HH TYR 246 HH TYR 246 -1.482 2.670 25.959 943 H ASP 247 H ASP 247 -3.933 -4.870 22.113 944 HA ASP 247 HA ASP 247 -2.342 -7.318 22.502 945 HB2 ASP 247 HB2 ASP 247 -5.299 -7.071 21.888 946 HB3 ASP 247 HB3 ASP 247 -4.414 -8.583 22.038 947 H VAL 248 H VAL 248 -1.816 -8.543 20.725 948 HA VAL 248 HA VAL 248 -2.019 -7.249 18.140 949 HB VAL 248 HB VAL 248 0.069 -8.423 18.887 950 HG11 VAL 248 HG21 VAL 248 -1.596 -10.900 18.499 951 HG12 VAL 248 HG22 VAL 248 -0.876 -10.331 20.003 952 HG13 VAL 248 HG23 VAL 248 0.157 -10.879 18.685 953 HG21 VAL 248 HG13 VAL 248 0.521 -9.520 16.726 954 HG22 VAL 248 HG11 VAL 248 -0.256 -7.946 16.545 955 HG23 VAL 248 HG12 VAL 248 -1.198 -9.423 16.344 956 H GLU 249 H GLU 249 -3.941 -9.123 19.974 957 HA GLU 249 HA GLU 249 -5.162 -10.627 17.800 958 HB2 GLU 249 HB2 GLU 249 -4.939 -11.704 20.006 959 HB3 GLU 249 HB3 GLU 249 -5.914 -10.432 20.726 960 HG2 GLU 249 HG3 GLU 249 -7.800 -11.117 19.287 961 HG3 GLU 249 HG2 GLU 249 -6.815 -12.447 18.681 962 H MET 250 H MET 250 -6.741 -9.810 16.620 963 HA MET 250 HA MET 250 -8.794 -8.121 17.601 964 HB2 MET 250 HB3 MET 250 -6.877 -6.488 17.540 965 HB3 MET 250 HB2 MET 250 -6.754 -6.768 15.810 966 HG2 MET 250 HG3 MET 250 -8.989 -5.882 15.483 967 HG3 MET 250 HG2 MET 250 -9.167 -5.650 17.221 968 HE1 MET 250 HE1 MET 250 -9.878 -3.101 16.714 969 HE2 MET 250 HE2 MET 250 -9.649 -3.395 14.990 970 HE3 MET 250 HE3 MET 250 -8.891 -1.998 15.755 971 H GLU 251 H GLU 251 -9.132 -10.365 16.438 972 HA GLU 251 HA GLU 251 -8.949 -10.472 13.629 973 HB2 GLU 251 HB2 GLU 251 -9.081 -12.481 14.974 974 HB3 GLU 251 HB3 GLU 251 -10.698 -12.047 15.517 975 HG2 GLU 251 HG3 GLU 251 -11.509 -12.212 13.214 976 HG3 GLU 251 HG2 GLU 251 -9.892 -12.668 12.685 977 H SER 252 H SER 252 -10.051 -9.414 12.207 978 HA SER 252 HA SER 252 -12.862 -8.815 12.626 979 HB2 SER 252 HB3 SER 252 -12.409 -6.403 11.990 980 HB3 SER 252 HB2 SER 252 -11.833 -6.877 13.589 981 HG SER 252 HG SER 252 -9.758 -7.038 12.777 982 H GLU 253 H GLU 253 -13.130 -7.047 10.473 983 HA GLU 253 HA GLU 253 -13.000 -8.891 8.278 984 HB2 GLU 253 HB2 GLU 253 -13.823 -5.986 8.285 985 HB3 GLU 253 HB3 GLU 253 -14.156 -7.161 7.021 986 HG2 GLU 253 HG3 GLU 253 -15.536 -8.438 8.581 987 HG3 GLU 253 HG2 GLU 253 -15.214 -7.240 9.835 988 H GLU 254 H GLU 254 -10.867 -6.659 9.587 989 HA GLU 254 HA GLU 254 -9.762 -5.351 7.410 990 HB2 GLU 254 HB2 GLU 254 -8.331 -6.280 9.897 991 HB3 GLU 254 HB3 GLU 254 -7.763 -5.043 8.788 992 HG2 GLU 254 HG3 GLU 254 -10.125 -4.933 10.626 993 HG3 GLU 254 HG2 GLU 254 -8.680 -3.925 10.635 994 H GLU 255 H GLU 255 -9.352 -8.652 8.420 995 HA GLU 255 HA GLU 255 -6.966 -9.389 7.248 996 HB2 GLU 255 HB2 GLU 255 -9.555 -10.929 7.384 997 HB3 GLU 255 HB3 GLU 255 -8.011 -11.640 6.942 998 HG2 GLU 255 HG3 GLU 255 -8.655 -10.340 9.577 999 HG3 GLU 255 HG2 GLU 255 -8.599 -12.075 9.268 1000 H SER 256 H SER 256 -10.117 -8.940 5.722 1001 HA SER 256 HA SER 256 -8.744 -8.922 3.128 1002 HB2 SER 256 HB3 SER 256 -11.424 -10.203 3.704 1003 HB3 SER 256 HB2 SER 256 -10.721 -9.999 2.102 1004 HG SER 256 HG SER 256 -9.935 -11.695 4.201 1005 H ASP 257 H ASP 257 -9.112 -6.669 4.529 1006 HA ASP 257 HA ASP 257 -11.603 -5.401 3.805 1007 HB2 ASP 257 HB2 ASP 257 -10.648 -4.751 5.898 1008 HB3 ASP 257 HB3 ASP 257 -9.103 -4.366 5.148 1009 H ASP 258 H ASP 258 -8.182 -4.849 2.993 1010 HA ASP 258 HA ASP 258 -8.755 -2.857 1.057 1011 HB2 ASP 258 HB2 ASP 258 -6.605 -2.928 2.177 1012 HB3 ASP 258 HB3 ASP 258 -6.277 -4.526 1.515 1013 H ASP 259 H ASP 259 -7.188 -5.953 0.480 1014 HA ASP 259 HA ASP 259 -9.133 -6.847 -1.409 1015 HB2 ASP 259 HB2 ASP 259 -7.794 -5.237 -2.799 1016 HB3 ASP 259 HB3 ASP 259 -6.368 -6.214 -2.477 1017 H GLY 260 H GLY 260 -8.340 -7.842 0.929 1018 HA2 GLY 260 HA3 GLY 260 -7.915 -10.103 1.536 1019 HA3 GLY 260 HA2 GLY 260 -6.850 -10.229 0.142 1020 H PHE 261 H PHE 261 -6.039 -7.370 1.391 1021 HA PHE 261 HA PHE 261 -3.892 -8.536 2.981 1022 HB2 PHE 261 HB3 PHE 261 -3.739 -5.813 1.740 1023 HB3 PHE 261 HB2 PHE 261 -2.430 -6.911 2.164 1024 HD1 PHE 261 HD2 PHE 261 -3.453 -9.398 0.818 1025 HD2 PHE 261 HD1 PHE 261 -3.280 -5.358 -0.473 1026 HE1 PHE 261 HE2 PHE 261 -3.418 -10.155 -1.519 1027 HE2 PHE 261 HE1 PHE 261 -3.248 -6.105 -2.816 1028 HZ PHE 261 HZ PHE 261 -3.316 -8.503 -3.340 1029 H VAL 262 H VAL 262 -3.054 -7.189 4.724 1030 HA VAL 262 HA VAL 262 -4.947 -5.279 5.890 1031 HB VAL 262 HB VAL 262 -5.566 -7.566 6.697 1032 HG11 VAL 262 HG21 VAL 262 -4.077 -8.771 8.177 1033 HG12 VAL 262 HG22 VAL 262 -2.840 -7.529 7.975 1034 HG13 VAL 262 HG23 VAL 262 -3.315 -8.529 6.602 1035 HG21 VAL 262 HG13 VAL 262 -6.015 -5.613 8.098 1036 HG22 VAL 262 HG11 VAL 262 -4.424 -5.777 8.839 1037 HG23 VAL 262 HG12 VAL 262 -5.640 -7.033 9.072 1038 H GLU 263 H GLU 263 -3.921 -4.158 7.809 1039 HA GLU 263 HA GLU 263 -1.088 -3.775 7.451 1040 HB2 GLU 263 HB2 GLU 263 -2.910 -2.059 8.253 1041 HB3 GLU 263 HB3 GLU 263 -2.640 -2.785 9.830 1042 HG2 GLU 263 HG3 GLU 263 -0.196 -2.248 9.534 1043 HG3 GLU 263 HG2 GLU 263 -0.665 -1.313 8.111 1044 H VAL 264 H VAL 264 0.360 -5.132 8.290 1045 HA VAL 264 HA VAL 264 -0.351 -6.697 10.678 1046 HB VAL 264 HB VAL 264 1.618 -7.486 8.517 1047 HG11 VAL 264 HG21 VAL 264 1.562 -9.686 9.595 1048 HG12 VAL 264 HG22 VAL 264 0.473 -9.054 10.828 1049 HG13 VAL 264 HG23 VAL 264 2.121 -8.436 10.709 1050 HG21 VAL 264 HG13 VAL 264 -0.647 -7.491 7.618 1051 HG22 VAL 264 HG11 VAL 264 -1.197 -8.473 8.976 1052 HG23 VAL 264 HG12 VAL 264 -0.051 -9.140 7.813 1053 H ASP 265 H ASP 265 0.600 -5.611 12.329 1054 HA ASP 265 HA ASP 265 3.444 -4.924 12.009 1055 HB2 ASP 265 HB2 ASP 265 1.992 -2.991 12.533 1056 HB3 ASP 265 HB3 ASP 265 1.473 -3.791 14.001 Start of MODEL 5 1 H2 PRO 1 H2 PRO 1 15.776 -7.446 -1.187 2 H3 PRO 1 H3 PRO 1 15.424 -6.006 -0.500 3 HA PRO 1 HA PRO 1 14.660 -8.346 0.336 4 HB2 PRO 1 HB3 PRO 1 16.274 -7.788 2.653 5 HB3 PRO 1 HB2 PRO 1 16.155 -9.286 1.721 6 HG2 PRO 1 HG3 PRO 1 18.371 -7.682 1.735 7 HG3 PRO 1 HG2 PRO 1 17.928 -8.753 0.395 8 HD2 PRO 1 HD2 PRO 1 17.481 -5.795 0.680 9 HD3 PRO 1 HD3 PRO 1 18.041 -6.711 -0.731 10 H SER 2 H SER 2 15.945 -6.059 2.716 11 HA SER 2 HA SER 2 13.238 -5.082 3.162 12 HB2 SER 2 HB3 SER 2 15.714 -4.766 4.798 13 HB3 SER 2 HB2 SER 2 14.165 -4.067 5.214 14 HG SER 2 HG SER 2 14.902 -6.802 5.075 15 H HIS 3 H HIS 3 12.746 -2.903 3.227 16 HA HIS 3 HA HIS 3 12.682 -0.815 2.442 17 HB2 HIS 3 HB3 HIS 3 15.619 -1.104 2.906 18 HB3 HIS 3 HB2 HIS 3 15.038 0.308 2.046 19 HD1 HIS 3 HD1 HIS 3 15.093 -1.252 5.448 20 HD2 HIS 3 HD2 HIS 3 13.700 2.197 3.595 21 HE1 HIS 3 HE1 HIS 3 14.435 0.300 7.315 22 HE2 HIS 3 HE2 HIS 3 13.731 2.440 6.174 23 H SER 4 H SER 4 13.897 -3.273 0.620 24 HA SER 4 HA SER 4 13.143 -1.981 -1.806 25 HB2 SER 4 HB3 SER 4 15.297 -2.229 -2.987 26 HB3 SER 4 HB2 SER 4 15.386 -1.062 -1.671 27 HG SER 4 HG SER 4 16.669 -2.352 -0.559 28 H GLY 5 H GLY 5 12.539 -3.437 -3.318 29 HA2 GLY 5 HA3 GLY 5 13.460 -6.083 -3.564 30 HA3 GLY 5 HA2 GLY 5 12.011 -6.076 -2.562 31 H ALA 6 H ALA 6 12.312 -7.223 -5.223 32 HA ALA 6 HA ALA 6 11.189 -5.373 -7.088 33 HB1 ALA 6 HB1 ALA 6 11.449 -8.359 -7.381 34 HB2 ALA 6 HB2 ALA 6 12.711 -7.187 -7.767 35 HB3 ALA 6 HB3 ALA 6 11.197 -7.180 -8.670 36 H ALA 7 H ALA 7 9.104 -5.165 -7.781 37 HA ALA 7 HA ALA 7 7.054 -7.054 -6.924 38 HB1 ALA 7 HB1 ALA 7 6.928 -4.124 -6.206 39 HB2 ALA 7 HB2 ALA 7 7.078 -5.472 -5.079 40 HB3 ALA 7 HB3 ALA 7 5.599 -5.272 -6.026 41 H ILE 8 H ILE 8 5.075 -6.804 -8.069 42 HA ILE 8 HA ILE 8 5.322 -5.499 -10.680 43 HB ILE 8 HB ILE 8 3.238 -7.378 -9.534 44 HG12 ILE 8 HG13 ILE 8 3.954 -8.827 -11.470 45 HG13 ILE 8 HG12 ILE 8 5.271 -7.702 -11.750 46 HG21 ILE 8 HG21 ILE 8 3.270 -6.139 -12.275 47 HG22 ILE 8 HG22 ILE 8 2.193 -5.674 -10.958 48 HG23 ILE 8 HG23 ILE 8 2.088 -7.293 -11.657 49 HD11 ILE 8 HD11 ILE 8 6.157 -8.201 -9.530 50 HD12 ILE 8 HD12 ILE 8 6.023 -9.648 -10.531 51 HD13 ILE 8 HD13 ILE 8 4.833 -9.337 -9.267 52 H PHE 9 H PHE 9 4.431 -3.613 -11.102 53 HA PHE 9 HA PHE 9 2.145 -2.751 -9.518 54 HB2 PHE 9 HB3 PHE 9 3.971 -1.689 -8.395 55 HB3 PHE 9 HB2 PHE 9 4.694 -1.189 -9.917 56 HD1 PHE 9 HD1 PHE 9 1.753 -0.647 -7.722 57 HD2 PHE 9 HD2 PHE 9 4.214 0.880 -10.838 58 HE1 PHE 9 HE1 PHE 9 0.630 1.533 -7.540 59 HE2 PHE 9 HE2 PHE 9 3.089 3.057 -10.665 60 HZ PHE 9 HZ PHE 9 1.299 3.385 -9.014 61 H GLU 10 H GLU 10 0.576 -2.239 -10.844 62 HA GLU 10 HA GLU 10 -0.627 -1.560 -12.626 63 HB2 GLU 10 HB2 GLU 10 1.921 -0.219 -13.557 64 HB3 GLU 10 HB3 GLU 10 0.329 0.011 -14.260 65 HG2 GLU 10 HG3 GLU 10 -0.416 0.800 -11.986 66 HG3 GLU 10 HG2 GLU 10 1.291 0.844 -11.551 67 H LYS 11 H LYS 11 0.502 -4.021 -12.513 68 HA LYS 11 HA LYS 11 0.409 -5.894 -13.764 69 HB2 LYS 11 HB2 LYS 11 -0.111 -4.153 -16.160 70 HB3 LYS 11 HB3 LYS 11 -0.460 -5.868 -15.998 71 HG2 LYS 11 HG2 LYS 11 -1.695 -3.748 -14.301 72 HG3 LYS 11 HG3 LYS 11 -2.445 -4.358 -15.763 73 HD2 LYS 11 HD2 LYS 11 -3.458 -5.772 -14.329 74 HD3 LYS 11 HD3 LYS 11 -1.929 -6.634 -14.399 75 HE2 LYS 11 HE2 LYS 11 -1.144 -5.632 -12.425 76 HE3 LYS 11 HE3 LYS 11 -2.455 -4.457 -12.437 77 HZ1 LYS 11 HZ1 LYS 11 -2.883 -6.160 -10.801 78 HZ2 LYS 11 HZ2 LYS 11 -2.700 -7.380 -11.955 79 HZ3 LYS 11 HZ3 LYS 11 -4.009 -6.316 -12.052 80 H VAL 12 H VAL 12 2.799 -3.801 -13.807 81 HA VAL 12 HA VAL 12 4.423 -5.423 -15.650 82 HB VAL 12 HB VAL 12 4.619 -3.304 -16.599 83 HG11 VAL 12 HG21 VAL 12 3.354 -2.072 -14.942 84 HG12 VAL 12 HG22 VAL 12 4.845 -1.221 -15.348 85 HG13 VAL 12 HG23 VAL 12 4.727 -2.123 -13.834 86 HG21 VAL 12 HG13 VAL 12 6.821 -3.541 -14.559 87 HG22 VAL 12 HG11 VAL 12 6.834 -2.372 -15.888 88 HG23 VAL 12 HG12 VAL 12 6.835 -4.103 -16.234 89 H SER 13 H SER 13 6.172 -6.442 -14.849 90 HA SER 13 HA SER 13 6.596 -6.456 -12.016 91 HB2 SER 13 HB3 SER 13 6.842 -8.525 -13.307 92 HB3 SER 13 HB2 SER 13 8.142 -7.799 -14.250 93 HG SER 13 HG SER 13 8.222 -8.964 -11.788 94 H GLY 14 H GLY 14 7.821 -5.107 -10.936 95 HA2 GLY 14 HA3 GLY 14 10.210 -4.012 -12.186 96 HA3 GLY 14 HA2 GLY 14 9.037 -2.893 -11.533 97 H ILE 15 H ILE 15 10.587 -2.115 -10.064 98 HA ILE 15 HA ILE 15 11.120 -3.940 -7.849 99 HB ILE 15 HB ILE 15 12.961 -1.718 -8.599 100 HG12 ILE 15 HG13 ILE 15 12.775 -3.372 -10.465 101 HG13 ILE 15 HG12 ILE 15 14.371 -3.236 -9.773 102 HG21 ILE 15 HG21 ILE 15 13.184 -2.514 -6.335 103 HG22 ILE 15 HG22 ILE 15 14.587 -3.012 -7.280 104 HG23 ILE 15 HG23 ILE 15 13.319 -4.176 -6.907 105 HD11 ILE 15 HD11 ILE 15 13.751 -5.523 -10.322 106 HD12 ILE 15 HD12 ILE 15 12.416 -5.417 -9.171 107 HD13 ILE 15 HD13 ILE 15 14.083 -5.306 -8.602 108 H ILE 16 H ILE 16 11.238 -3.010 -5.809 109 HA ILE 16 HA ILE 16 10.035 -0.334 -5.578 110 HB ILE 16 HB ILE 16 9.071 -2.850 -4.610 111 HG12 ILE 16 HG13 ILE 16 8.064 -0.041 -4.145 112 HG13 ILE 16 HG12 ILE 16 7.808 -0.960 -5.624 113 HG21 ILE 16 HG21 ILE 16 10.363 -2.460 -2.580 114 HG22 ILE 16 HG22 ILE 16 8.641 -2.258 -2.255 115 HG23 ILE 16 HG23 ILE 16 9.679 -0.841 -2.433 116 HD11 ILE 16 HD11 ILE 16 6.843 -1.742 -2.889 117 HD12 ILE 16 HD12 ILE 16 6.557 -2.629 -4.387 118 HD13 ILE 16 HD13 ILE 16 5.861 -1.023 -4.166 119 H ALA 17 H ALA 17 11.123 1.066 -4.339 120 HA ALA 17 HA ALA 17 13.044 -0.004 -2.402 121 HB1 ALA 17 HB1 ALA 17 14.648 1.769 -3.064 122 HB2 ALA 17 HB2 ALA 17 13.613 2.121 -4.453 123 HB3 ALA 17 HB3 ALA 17 14.372 0.532 -4.289 124 H ILE 18 H ILE 18 12.194 0.608 -0.544 125 HA ILE 18 HA ILE 18 11.062 3.231 -0.124 126 HB ILE 18 HB ILE 18 11.772 1.236 2.010 127 HG12 ILE 18 HG13 ILE 18 9.126 0.938 1.848 128 HG13 ILE 18 HG12 ILE 18 9.438 1.317 0.160 129 HG21 ILE 18 HG21 ILE 18 9.807 3.526 1.957 130 HG22 ILE 18 HG22 ILE 18 11.404 3.565 2.708 131 HG23 ILE 18 HG23 ILE 18 10.154 2.480 3.335 132 HD11 ILE 18 HD11 ILE 18 10.613 -0.942 1.740 133 HD12 ILE 18 HD12 ILE 18 11.054 -0.527 0.085 134 HD13 ILE 18 HD13 ILE 18 9.414 -1.039 0.454 135 H ASN 19 H ASN 19 12.476 4.877 0.095 136 HA ASN 19 HA ASN 19 15.003 4.323 1.497 137 HB2 ASN 19 HB2 ASN 19 15.716 4.913 -0.645 138 HB3 ASN 19 HB3 ASN 19 14.382 6.035 -0.882 139 HD21 ASN 19 HD21 ASN 19 14.553 8.114 -0.171 140 HD22 ASN 19 HD22 ASN 19 16.035 8.811 0.390 141 H GLU 20 H GLU 20 15.026 5.205 3.513 142 HA GLU 20 HA GLU 20 13.737 7.850 3.634 143 HB2 GLU 20 HB2 GLU 20 14.903 6.397 5.998 144 HB3 GLU 20 HB3 GLU 20 13.629 7.601 5.969 145 HG2 GLU 20 HG3 GLU 20 12.033 6.067 5.212 146 HG3 GLU 20 HG2 GLU 20 13.270 4.896 4.768 147 H ASP 21 H ASP 21 15.649 8.422 2.268 148 HA ASP 21 HA ASP 21 17.519 9.710 4.130 149 HB2 ASP 21 HB2 ASP 21 18.776 8.410 2.504 150 HB3 ASP 21 HB3 ASP 21 17.836 9.079 1.180 151 H VAL 22 H VAL 22 14.750 9.828 2.588 152 HA VAL 22 HA VAL 22 15.075 12.263 1.006 153 HB VAL 22 HB VAL 22 14.387 10.100 -0.017 154 HG11 VAL 22 HG21 VAL 22 13.148 9.268 1.941 155 HG12 VAL 22 HG22 VAL 22 12.245 9.112 0.437 156 HG13 VAL 22 HG23 VAL 22 11.855 10.407 1.570 157 HG21 VAL 22 HG13 VAL 22 12.411 12.350 -0.157 158 HG22 VAL 22 HG11 VAL 22 12.251 10.885 -1.134 159 HG23 VAL 22 HG12 VAL 22 13.679 11.922 -1.306 160 H SER 23 H SER 23 13.046 13.602 0.801 161 HA SER 23 HA SER 23 11.838 14.555 3.117 162 HB2 SER 23 HB3 SER 23 10.042 15.327 1.445 163 HB3 SER 23 HB2 SER 23 11.685 15.849 1.114 164 HG SER 23 HG SER 23 10.610 13.485 -0.023 165 HA PRO 24 HA PRO 24 9.457 12.085 5.197 166 HB2 PRO 24 HB3 PRO 24 6.796 11.802 4.397 167 HB3 PRO 24 HB2 PRO 24 7.401 13.040 5.503 168 HG2 PRO 24 HG3 PRO 24 6.979 13.194 2.535 169 HG3 PRO 24 HG2 PRO 24 6.495 14.357 3.777 170 HD2 PRO 24 HD2 PRO 24 8.646 14.868 2.397 171 HD3 PRO 24 HD3 PRO 24 8.775 14.999 4.167 172 H ALA 25 H ALA 25 9.608 9.944 5.272 173 HA ALA 25 HA ALA 25 11.024 8.754 3.405 174 HB1 ALA 25 HB1 ALA 25 9.122 7.408 5.261 175 HB2 ALA 25 HB2 ALA 25 10.859 7.656 5.443 176 HB3 ALA 25 HB3 ALA 25 10.247 6.518 4.238 177 H GLU 26 H GLU 26 10.921 7.597 1.613 178 HA GLU 26 HA GLU 26 8.344 7.560 0.323 179 HB2 GLU 26 HB2 GLU 26 10.802 8.989 -0.665 180 HB3 GLU 26 HB3 GLU 26 9.594 8.382 -1.798 181 HG2 GLU 26 HG3 GLU 26 7.873 9.689 -0.667 182 HG3 GLU 26 HG2 GLU 26 9.075 10.296 0.466 183 H LEU 27 H LEU 27 7.953 5.987 -1.053 184 HA LEU 27 HA LEU 27 9.942 3.836 -1.397 185 HB2 LEU 27 HB2 LEU 27 7.863 3.071 -0.483 186 HB3 LEU 27 HB3 LEU 27 6.932 4.023 -1.608 187 HG LEU 27 HG LEU 27 8.601 1.664 -2.499 188 HD11 LEU 27 HD11 LEU 27 6.603 0.335 -2.368 189 HD12 LEU 27 HD12 LEU 27 5.684 1.724 -1.780 190 HD13 LEU 27 HD13 LEU 27 6.958 1.015 -0.778 191 HD21 LEU 27 HD21 LEU 27 6.166 2.953 -3.759 192 HD22 LEU 27 HD22 LEU 27 7.148 1.652 -4.435 193 HD23 LEU 27 HD23 LEU 27 7.828 3.266 -4.255 194 H THR 28 H THR 28 10.467 3.200 -3.496 195 HA THR 28 HA THR 28 9.300 4.839 -5.622 196 HB THR 28 HB THR 28 12.248 4.218 -5.475 197 HG1 THR 28 HG1 THR 28 10.830 6.607 -4.816 198 HG21 THR 28 HG21 THR 28 11.459 4.550 -7.719 199 HG22 THR 28 HG22 THR 28 12.331 6.000 -7.218 200 HG23 THR 28 HG23 THR 28 10.562 5.991 -7.232 201 H TRP 29 H TRP 29 8.216 3.441 -6.801 202 HA TRP 29 HA TRP 29 9.323 0.776 -7.238 203 HB2 TRP 29 HB3 TRP 29 6.871 0.986 -6.889 204 HB3 TRP 29 HB2 TRP 29 6.763 1.961 -8.353 205 HD1 TRP 29 HD1 TRP 29 7.185 -1.658 -7.194 206 HE1 TRP 29 HE1 TRP 29 6.967 -3.230 -9.228 207 HE3 TRP 29 HE3 TRP 29 7.107 1.833 -10.928 208 HZ2 TRP 29 HZ2 TRP 29 6.770 -3.016 -12.004 209 HZ3 TRP 29 HZ3 TRP 29 6.907 1.041 -13.243 210 HH2 TRP 29 HH2 TRP 29 6.742 -1.322 -13.770 211 H ARG 30 H ARG 30 10.700 0.453 -8.719 212 HA ARG 30 HA ARG 30 10.698 2.147 -11.126 213 HB2 ARG 30 HB2 ARG 30 12.571 2.771 -9.752 214 HB3 ARG 30 HB3 ARG 30 12.976 1.082 -9.448 215 HG2 ARG 30 HG2 ARG 30 12.980 1.735 -12.266 216 HG3 ARG 30 HG3 ARG 30 14.119 2.715 -11.338 217 HD2 ARG 30 HD2 ARG 30 15.107 0.735 -10.394 218 HD3 ARG 30 HD3 ARG 30 13.926 -0.294 -11.191 219 HE ARG 30 HE ARG 30 15.436 1.306 -13.030 220 HH11 ARG 30 HH11 ARG 30 15.504 -1.612 -11.106 221 HH12 ARG 30 HH12 ARG 30 16.632 -2.428 -12.138 222 HH21 ARG 30 HH21 ARG 30 16.926 0.236 -14.403 223 HH22 ARG 30 HH22 ARG 30 17.432 -1.379 -14.023 224 H SER 31 H SER 31 10.406 0.982 -12.954 225 HA SER 31 HA SER 31 9.861 -1.735 -12.955 226 HB2 SER 31 HB3 SER 31 10.894 -0.112 -15.294 227 HB3 SER 31 HB2 SER 31 9.968 -1.606 -15.385 228 HG SER 31 HG SER 31 8.730 0.303 -13.890 229 H THR 32 H THR 32 11.007 -3.545 -13.453 230 HA THR 32 HA THR 32 13.674 -3.771 -12.711 231 HB THR 32 HB THR 32 12.246 -5.602 -14.650 232 HG1 THR 32 HG1 THR 32 12.188 -5.567 -11.792 233 HG21 THR 32 HG21 THR 32 14.648 -6.048 -14.319 234 HG22 THR 32 HG22 THR 32 13.642 -7.336 -13.659 235 HG23 THR 32 HG23 THR 32 14.378 -6.152 -12.579 236 H ASP 33 H ASP 33 12.261 -2.937 -15.787 237 HA ASP 33 HA ASP 33 14.715 -3.137 -17.283 238 HB2 ASP 33 HB2 ASP 33 12.631 -3.457 -18.459 239 HB3 ASP 33 HB3 ASP 33 12.039 -1.887 -17.923 240 H GLY 34 H GLY 34 13.096 -0.728 -15.392 241 HA2 GLY 34 HA3 GLY 34 14.169 1.203 -14.563 242 HA3 GLY 34 HA2 GLY 34 15.300 1.120 -15.905 243 H ASP 35 H ASP 35 11.872 0.833 -16.484 244 HA ASP 35 HA ASP 35 12.084 3.256 -18.098 245 HB2 ASP 35 HB2 ASP 35 11.427 1.252 -19.302 246 HB3 ASP 35 HB3 ASP 35 10.092 1.012 -18.189 247 H LYS 36 H LYS 36 9.384 1.673 -16.490 248 HA LYS 36 HA LYS 36 8.190 4.215 -15.857 249 HB2 LYS 36 HB2 LYS 36 6.710 2.506 -16.588 250 HB3 LYS 36 HB3 LYS 36 7.375 1.341 -15.457 251 HG2 LYS 36 HG2 LYS 36 6.481 2.740 -13.616 252 HG3 LYS 36 HG3 LYS 36 5.660 3.720 -14.829 253 HD2 LYS 36 HD2 LYS 36 5.306 0.735 -14.750 254 HD3 LYS 36 HD3 LYS 36 4.335 1.798 -13.722 255 HE2 LYS 36 HE2 LYS 36 4.539 2.080 -16.716 256 HE3 LYS 36 HE3 LYS 36 3.274 1.161 -15.902 257 HZ1 LYS 36 HZ1 LYS 36 2.621 3.186 -14.734 258 HZ2 LYS 36 HZ2 LYS 36 2.514 3.377 -16.416 259 HZ3 LYS 36 HZ3 LYS 36 3.808 4.064 -15.572 260 H VAL 37 H VAL 37 8.290 5.247 -13.957 261 HA VAL 37 HA VAL 37 9.269 3.798 -11.585 262 HB VAL 37 HB VAL 37 10.231 6.530 -12.489 263 HG11 VAL 37 HG21 VAL 37 9.989 6.418 -10.066 264 HG12 VAL 37 HG22 VAL 37 11.691 6.462 -10.528 265 HG13 VAL 37 HG23 VAL 37 10.951 4.941 -10.029 266 HG21 VAL 37 HG13 VAL 37 11.720 3.918 -12.229 267 HG22 VAL 37 HG11 VAL 37 12.432 5.474 -12.656 268 HG23 VAL 37 HG12 VAL 37 11.269 4.708 -13.740 269 H HIS 38 H HIS 38 7.980 4.106 -9.887 270 HA HIS 38 HA HIS 38 6.277 6.502 -9.793 271 HB2 HIS 38 HB3 HIS 38 5.161 4.300 -10.585 272 HB3 HIS 38 HB2 HIS 38 5.303 3.832 -8.893 273 HD1 HIS 38 HD1 HIS 38 3.134 5.596 -11.198 274 HD2 HIS 38 HD2 HIS 38 3.895 5.736 -7.114 275 HE1 HIS 38 HE1 HIS 38 1.186 6.824 -10.189 276 HE2 HIS 38 HE2 HIS 38 1.789 7.089 -7.755 277 H THR 39 H THR 39 6.523 7.555 -7.915 278 HA THR 39 HA THR 39 7.794 6.086 -5.716 279 HB THR 39 HB THR 39 7.630 9.082 -6.151 280 HG1 THR 39 HG1 THR 39 9.066 8.552 -7.638 281 HG21 THR 39 HG21 THR 39 9.391 7.486 -4.290 282 HG22 THR 39 HG22 THR 39 7.934 8.351 -3.794 283 HG23 THR 39 HG23 THR 39 9.319 9.244 -4.433 284 H VAL 40 H VAL 40 6.891 6.066 -3.659 285 HA VAL 40 HA VAL 40 4.239 7.330 -3.309 286 HB VAL 40 HB VAL 40 5.359 4.747 -2.230 287 HG11 VAL 40 HG21 VAL 40 2.938 6.250 -1.276 288 HG12 VAL 40 HG22 VAL 40 4.369 5.823 -0.338 289 HG13 VAL 40 HG23 VAL 40 3.272 4.561 -0.901 290 HG21 VAL 40 HG13 VAL 40 2.671 5.185 -3.459 291 HG22 VAL 40 HG11 VAL 40 3.605 3.691 -3.320 292 HG23 VAL 40 HG12 VAL 40 4.109 4.943 -4.465 293 H VAL 41 H VAL 41 4.087 8.846 -1.723 294 HA VAL 41 HA VAL 41 6.262 9.147 0.186 295 HB VAL 41 HB VAL 41 3.800 10.880 -0.102 296 HG11 VAL 41 HG21 VAL 41 4.872 11.074 2.072 297 HG12 VAL 41 HG22 VAL 41 5.154 12.540 1.137 298 HG13 VAL 41 HG23 VAL 41 6.434 11.341 1.306 299 HG21 VAL 41 HG13 VAL 41 5.237 12.445 -1.329 300 HG22 VAL 41 HG11 VAL 41 5.080 10.907 -2.175 301 HG23 VAL 41 HG12 VAL 41 6.553 11.273 -1.277 302 H LEU 42 H LEU 42 6.148 7.863 1.818 303 HA LEU 42 HA LEU 42 4.002 6.467 2.834 304 HB2 LEU 42 HB2 LEU 42 6.604 7.300 4.055 305 HB3 LEU 42 HB3 LEU 42 5.412 6.399 4.977 306 HG LEU 42 HG LEU 42 7.316 5.094 3.869 307 HD11 LEU 42 HD11 LEU 42 5.373 4.085 4.908 308 HD12 LEU 42 HD12 LEU 42 5.818 3.215 3.447 309 HD13 LEU 42 HD13 LEU 42 4.442 4.314 3.428 310 HD21 LEU 42 HD21 LEU 42 6.861 4.338 1.575 311 HD22 LEU 42 HD22 LEU 42 7.254 6.056 1.654 312 HD23 LEU 42 HD23 LEU 42 5.577 5.542 1.448 313 H SER 43 H SER 43 4.978 9.761 3.565 314 HA SER 43 HA SER 43 3.406 9.926 5.946 315 HB2 SER 43 HB3 SER 43 5.306 11.417 5.621 316 HB3 SER 43 HB2 SER 43 4.508 12.141 4.230 317 HG SER 43 HG SER 43 3.026 12.110 6.565 318 H THR 44 H THR 44 2.834 10.554 2.536 319 HA THR 44 HA THR 44 0.200 11.629 3.013 320 HB THR 44 HB THR 44 -0.127 11.485 0.585 321 HG1 THR 44 HG1 THR 44 1.991 9.739 0.770 322 HG21 THR 44 HG21 THR 44 2.562 12.596 1.382 323 HG22 THR 44 HG22 THR 44 1.014 13.439 1.445 324 HG23 THR 44 HG23 THR 44 1.708 12.983 -0.111 325 H ILE 45 H ILE 45 1.627 8.595 2.985 326 HA ILE 45 HA ILE 45 -0.758 7.089 2.434 327 HB ILE 45 HB ILE 45 1.891 6.214 3.567 328 HG12 ILE 45 HG13 ILE 45 2.045 7.135 1.268 329 HG13 ILE 45 HG12 ILE 45 2.421 5.427 1.345 330 HG21 ILE 45 HG21 ILE 45 1.190 3.981 3.068 331 HG22 ILE 45 HG22 ILE 45 -0.322 4.564 2.384 332 HG23 ILE 45 HG23 ILE 45 -0.006 4.743 4.111 333 HD11 ILE 45 HD11 ILE 45 0.081 4.950 0.566 334 HD12 ILE 45 HD12 ILE 45 1.102 5.787 -0.608 335 HD13 ILE 45 HD13 ILE 45 -0.110 6.686 0.311 336 H ASP 46 H ASP 46 -2.276 6.623 3.878 337 HA ASP 46 HA ASP 46 -1.945 7.320 6.660 338 HB2 ASP 46 HB2 ASP 46 -4.055 7.821 5.617 339 HB3 ASP 46 HB3 ASP 46 -4.263 6.156 5.126 340 H LYS 47 H LYS 47 -2.265 4.417 4.699 341 HA LYS 47 HA LYS 47 -1.489 2.768 6.992 342 HB2 LYS 47 HB2 LYS 47 -4.033 2.835 6.779 343 HB3 LYS 47 HB3 LYS 47 -3.832 2.024 5.226 344 HG2 LYS 47 HG2 LYS 47 -4.326 0.346 6.801 345 HG3 LYS 47 HG3 LYS 47 -2.603 0.208 6.459 346 HD2 LYS 47 HD2 LYS 47 -2.725 0.025 8.780 347 HD3 LYS 47 HD3 LYS 47 -2.289 1.710 8.517 348 HE2 LYS 47 HE2 LYS 47 -4.622 2.365 8.764 349 HE3 LYS 47 HE3 LYS 47 -5.073 0.680 9.003 350 HZ1 LYS 47 HZ1 LYS 47 -4.898 1.877 11.096 351 HZ2 LYS 47 HZ2 LYS 47 -3.278 2.240 10.779 352 HZ3 LYS 47 HZ3 LYS 47 -3.752 0.637 11.014 353 H LEU 48 H LEU 48 -0.486 0.806 6.364 354 HA LEU 48 HA LEU 48 -0.301 0.371 3.461 355 HB2 LEU 48 HB2 LEU 48 1.913 0.802 4.041 356 HB3 LEU 48 HB3 LEU 48 1.744 0.008 5.593 357 HG LEU 48 HG LEU 48 1.489 -2.164 4.319 358 HD11 LEU 48 HD11 LEU 48 1.101 -0.830 2.140 359 HD12 LEU 48 HD12 LEU 48 2.067 -2.301 2.091 360 HD13 LEU 48 HD13 LEU 48 2.862 -0.730 2.099 361 HD21 LEU 48 HD21 LEU 48 4.149 -1.326 3.617 362 HD22 LEU 48 HD22 LEU 48 3.610 -2.496 4.820 363 HD23 LEU 48 HD23 LEU 48 3.691 -0.780 5.228 364 H GLN 49 H GLN 49 -0.571 -1.663 2.769 365 HA GLN 49 HA GLN 49 -1.649 -3.598 4.702 366 HB2 GLN 49 HB2 GLN 49 -2.455 -3.180 1.834 367 HB3 GLN 49 HB3 GLN 49 -3.078 -4.435 2.886 368 HG2 GLN 49 HG2 GLN 49 -3.422 -1.483 3.348 369 HG3 GLN 49 HG3 GLN 49 -4.630 -2.546 2.626 370 HE21 GLN 49 HE21 GLN 49 -5.664 -4.084 3.938 371 HE22 GLN 49 HE22 GLN 49 -5.665 -3.953 5.659 372 H ALA 50 H ALA 50 -1.355 -5.777 4.146 373 HA ALA 50 HA ALA 50 0.330 -6.564 1.967 374 HB1 ALA 50 HB1 ALA 50 1.423 -6.835 4.779 375 HB2 ALA 50 HB2 ALA 50 2.035 -5.712 3.560 376 HB3 ALA 50 HB3 ALA 50 2.168 -7.454 3.306 377 H THR 51 H THR 51 0.046 -8.708 1.540 378 HA THR 51 HA THR 51 -2.149 -10.160 2.397 379 HB THR 51 HB THR 51 -0.892 -12.174 1.603 380 HG1 THR 51 HG1 THR 51 1.211 -10.708 2.177 381 HG21 THR 51 HG21 THR 51 -0.523 -11.354 -0.728 382 HG22 THR 51 HG22 THR 51 -0.807 -9.716 -0.134 383 HG23 THR 51 HG23 THR 51 -2.093 -10.920 -0.043 384 HA PRO 52 HA PRO 52 -1.135 -11.440 6.557 385 HB2 PRO 52 HB3 PRO 52 -3.131 -13.289 6.706 386 HB3 PRO 52 HB2 PRO 52 -3.421 -11.555 6.862 387 HG2 PRO 52 HG3 PRO 52 -3.700 -13.308 4.451 388 HG3 PRO 52 HG2 PRO 52 -4.826 -12.119 5.092 389 HD2 PRO 52 HD2 PRO 52 -3.248 -11.541 3.046 390 HD3 PRO 52 HD3 PRO 52 -3.581 -10.334 4.296 391 H ALA 53 H ALA 53 -0.530 -13.464 7.624 392 HA ALA 53 HA ALA 53 1.140 -15.108 6.047 393 HB1 ALA 53 HB1 ALA 53 1.545 -14.673 8.425 394 HB2 ALA 53 HB2 ALA 53 1.491 -16.401 8.075 395 HB3 ALA 53 HB3 ALA 53 0.111 -15.612 8.834 396 H SER 54 H SER 54 -2.199 -15.212 6.647 397 HA SER 54 HA SER 54 -2.525 -18.011 6.034 398 HB2 SER 54 HB3 SER 54 -4.544 -15.771 6.255 399 HB3 SER 54 HB2 SER 54 -4.938 -17.477 6.076 400 HG SER 54 HG SER 54 -4.808 -16.425 8.301 401 H SER 55 H SER 55 -2.322 -15.039 4.344 402 HA SER 55 HA SER 55 -3.720 -15.642 1.981 403 HB2 SER 55 HB3 SER 55 -3.068 -13.341 2.433 404 HB3 SER 55 HB2 SER 55 -1.372 -13.806 2.503 405 HG SER 55 HG SER 55 -1.259 -13.668 0.414 406 H GLU 56 H GLU 56 -3.173 -16.750 0.175 407 HA GLU 56 HA GLU 56 -0.786 -18.371 0.201 408 HB2 GLU 56 HB2 GLU 56 -3.014 -18.105 -1.776 409 HB3 GLU 56 HB3 GLU 56 -1.673 -19.215 -1.966 410 HG2 GLU 56 HG3 GLU 56 -3.703 -19.234 0.240 411 HG3 GLU 56 HG2 GLU 56 -3.567 -20.366 -1.098 412 H LYS 57 H LYS 57 -1.636 -15.315 -0.799 413 HA LYS 57 HA LYS 57 0.445 -15.223 -2.882 414 HB2 LYS 57 HB2 LYS 57 -1.381 -12.928 -2.513 415 HB3 LYS 57 HB3 LYS 57 -0.752 -13.621 -3.993 416 HG2 LYS 57 HG2 LYS 57 -2.956 -14.826 -2.346 417 HG3 LYS 57 HG3 LYS 57 -3.208 -13.814 -3.766 418 HD2 LYS 57 HD2 LYS 57 -1.763 -16.448 -3.688 419 HD3 LYS 57 HD3 LYS 57 -3.409 -16.210 -4.259 420 HE2 LYS 57 HE2 LYS 57 -0.899 -15.052 -5.455 421 HE3 LYS 57 HE3 LYS 57 -1.871 -16.350 -6.136 422 HZ1 LYS 57 HZ1 LYS 57 -2.404 -14.322 -7.248 423 HZ2 LYS 57 HZ2 LYS 57 -2.684 -13.514 -5.795 424 HZ3 LYS 57 HZ3 LYS 57 -3.732 -14.744 -6.290 425 H MET 58 H MET 58 1.441 -12.974 -2.990 426 HA MET 58 HA MET 58 2.083 -11.995 -0.284 427 HB2 MET 58 HB3 MET 58 4.275 -11.869 -2.214 428 HB3 MET 58 HB2 MET 58 4.289 -12.415 -0.556 429 HG2 MET 58 HG3 MET 58 3.189 -14.120 -2.753 430 HG3 MET 58 HG2 MET 58 4.893 -14.125 -2.335 431 HE1 MET 58 HE1 MET 58 4.698 -16.771 -1.947 432 HE2 MET 58 HE2 MET 58 2.976 -16.710 -2.320 433 HE3 MET 58 HE3 MET 58 3.531 -17.505 -0.848 434 H MET 59 H MET 59 1.474 -9.883 -0.260 435 HA MET 59 HA MET 59 1.995 -8.217 -2.555 436 HB2 MET 59 HB3 MET 59 -0.502 -9.560 -2.330 437 HB3 MET 59 HB2 MET 59 -0.776 -7.838 -2.098 438 HG2 MET 59 HG3 MET 59 0.261 -7.341 -4.205 439 HG3 MET 59 HG2 MET 59 0.698 -9.034 -4.437 440 HE1 MET 59 HE1 MET 59 -2.069 -10.409 -3.308 441 HE2 MET 59 HE2 MET 59 -1.117 -10.969 -4.681 442 HE3 MET 59 HE3 MET 59 -2.847 -10.684 -4.866 443 H LEU 60 H LEU 60 2.165 -6.130 -2.060 444 HA LEU 60 HA LEU 60 1.162 -5.233 0.573 445 HB2 LEU 60 HB2 LEU 60 3.477 -4.473 -1.082 446 HB3 LEU 60 HB3 LEU 60 2.639 -3.148 -0.307 447 HG LEU 60 HG LEU 60 2.928 -4.560 1.855 448 HD11 LEU 60 HD11 LEU 60 5.113 -5.688 0.117 449 HD12 LEU 60 HD12 LEU 60 3.767 -6.590 0.827 450 HD13 LEU 60 HD13 LEU 60 4.993 -5.855 1.871 451 HD21 LEU 60 HD21 LEU 60 3.945 -2.458 1.618 452 HD22 LEU 60 HD22 LEU 60 5.079 -3.062 0.414 453 HD23 LEU 60 HD23 LEU 60 5.222 -3.576 2.092 454 H ARG 61 H ARG 61 0.251 -3.081 0.677 455 HA ARG 61 HA ARG 61 -0.514 -1.717 -1.725 456 HB2 ARG 61 HB2 ARG 61 -2.328 -3.404 -1.427 457 HB3 ARG 61 HB3 ARG 61 -2.711 -2.661 0.110 458 HG2 ARG 61 HG2 ARG 61 -2.982 -0.493 -1.240 459 HG3 ARG 61 HG3 ARG 61 -3.076 -1.569 -2.635 460 HD2 ARG 61 HD2 ARG 61 -4.905 -1.387 -0.271 461 HD3 ARG 61 HD3 ARG 61 -5.299 -1.275 -1.985 462 HE ARG 61 HE ARG 61 -4.236 -3.823 -1.137 463 HH11 ARG 61 HH11 ARG 61 -7.070 -1.916 -1.839 464 HH12 ARG 61 HH12 ARG 61 -8.156 -3.276 -1.812 465 HH21 ARG 61 HH21 ARG 61 -5.650 -5.632 -1.186 466 HH22 ARG 61 HH22 ARG 61 -7.338 -5.383 -1.483 467 H LEU 62 H LEU 62 0.026 0.312 -1.284 468 HA LEU 62 HA LEU 62 -0.006 1.237 1.485 469 HB2 LEU 62 HB2 LEU 62 1.425 2.017 -1.001 470 HB3 LEU 62 HB3 LEU 62 1.173 3.258 0.209 471 HG LEU 62 HG LEU 62 2.348 0.604 0.966 472 HD11 LEU 62 HD11 LEU 62 3.742 1.499 -0.856 473 HD12 LEU 62 HD12 LEU 62 4.586 1.493 0.699 474 HD13 LEU 62 HD13 LEU 62 3.927 2.999 0.052 475 HD21 LEU 62 HD21 LEU 62 2.708 3.348 2.118 476 HD22 LEU 62 HD22 LEU 62 3.289 1.826 2.792 477 HD23 LEU 62 HD23 LEU 62 1.556 2.149 2.704 478 H ILE 63 H ILE 63 -1.660 2.303 2.220 479 HA ILE 63 HA ILE 63 -3.767 3.279 0.478 480 HB ILE 63 HB ILE 63 -3.768 3.483 3.475 481 HG12 ILE 63 HG13 ILE 63 -3.017 1.215 3.086 482 HG13 ILE 63 HG12 ILE 63 -4.683 1.199 3.646 483 HG21 ILE 63 HG21 ILE 63 -5.608 4.413 2.017 484 HG22 ILE 63 HG22 ILE 63 -6.095 3.352 3.335 485 HG23 ILE 63 HG23 ILE 63 -6.050 2.738 1.688 486 HD11 ILE 63 HD11 ILE 63 -4.297 -0.417 1.891 487 HD12 ILE 63 HD12 ILE 63 -3.784 0.874 0.806 488 HD13 ILE 63 HD13 ILE 63 -5.448 0.820 1.388 489 H GLY 64 H GLY 64 -3.472 5.377 -0.273 490 HA2 GLY 64 HA3 GLY 64 -2.067 7.331 1.324 491 HA3 GLY 64 HA2 GLY 64 -2.785 7.604 -0.242 492 H LYS 65 H LYS 65 -2.900 9.074 2.426 493 HA LYS 65 HA LYS 65 -5.439 8.882 3.566 494 HB2 LYS 65 HB2 LYS 65 -3.552 11.198 3.277 495 HB3 LYS 65 HB3 LYS 65 -5.141 11.411 3.985 496 HG2 LYS 65 HG2 LYS 65 -3.753 11.126 5.816 497 HG3 LYS 65 HG3 LYS 65 -4.455 9.544 5.597 498 HD2 LYS 65 HD2 LYS 65 -2.486 8.633 4.894 499 HD3 LYS 65 HD3 LYS 65 -1.893 10.149 4.248 500 HE2 LYS 65 HE2 LYS 65 -2.181 9.563 7.176 501 HE3 LYS 65 HE3 LYS 65 -0.684 9.355 6.277 502 HZ1 LYS 65 HZ1 LYS 65 -0.781 11.737 5.729 503 HZ2 LYS 65 HZ2 LYS 65 -0.663 11.460 7.392 504 HZ3 LYS 65 HZ3 LYS 65 -2.147 11.903 6.715 505 H VAL 66 H VAL 66 -7.400 9.459 2.935 506 HA VAL 66 HA VAL 66 -7.781 10.466 0.263 507 HB VAL 66 HB VAL 66 -9.257 8.729 1.154 508 HG11 VAL 66 HG21 VAL 66 -10.201 10.856 3.063 509 HG12 VAL 66 HG22 VAL 66 -9.358 9.363 3.479 510 HG13 VAL 66 HG23 VAL 66 -10.991 9.300 2.814 511 HG21 VAL 66 HG13 VAL 66 -11.410 9.700 0.462 512 HG22 VAL 66 HG11 VAL 66 -10.096 10.112 -0.641 513 HG23 VAL 66 HG12 VAL 66 -10.680 11.305 0.519 514 H ASP 67 H ASP 67 -9.039 12.333 -0.220 515 HA ASP 67 HA ASP 67 -8.073 14.540 1.385 516 HB2 ASP 67 HB2 ASP 67 -8.061 14.391 -1.198 517 HB3 ASP 67 HB3 ASP 67 -9.760 14.840 -1.086 518 H GLU 68 H GLU 68 -9.235 14.845 3.172 519 HA GLU 68 HA GLU 68 -12.043 14.545 3.366 520 HB2 GLU 68 HB2 GLU 68 -10.082 15.980 5.124 521 HB3 GLU 68 HB3 GLU 68 -11.761 15.710 5.547 522 HG2 GLU 68 HG3 GLU 68 -9.800 13.514 4.952 523 HG3 GLU 68 HG2 GLU 68 -10.144 14.126 6.565 524 H SER 69 H SER 69 -9.943 17.226 2.582 525 HA SER 69 HA SER 69 -11.809 19.297 2.978 526 HB2 SER 69 HB3 SER 69 -9.451 19.333 1.107 527 HB3 SER 69 HB2 SER 69 -10.139 20.649 2.039 528 HG SER 69 HG SER 69 -9.414 19.631 3.939 529 H LYS 70 H LYS 70 -10.839 17.348 0.186 530 HA LYS 70 HA LYS 70 -12.873 18.654 -1.454 531 HB2 LYS 70 HB2 LYS 70 -10.843 16.559 -2.250 532 HB3 LYS 70 HB3 LYS 70 -11.852 17.508 -3.329 533 HG2 LYS 70 HG2 LYS 70 -9.686 18.581 -1.548 534 HG3 LYS 70 HG3 LYS 70 -9.576 18.348 -3.290 535 HD2 LYS 70 HD2 LYS 70 -11.664 20.088 -2.019 536 HD3 LYS 70 HD3 LYS 70 -10.073 20.695 -2.467 537 HE2 LYS 70 HE2 LYS 70 -10.460 20.083 -4.778 538 HE3 LYS 70 HE3 LYS 70 -11.995 19.338 -4.339 539 HZ1 LYS 70 HZ1 LYS 70 -12.850 21.494 -3.722 540 HZ2 LYS 70 HZ2 LYS 70 -12.276 21.550 -5.311 541 HZ3 LYS 70 HZ3 LYS 70 -11.364 22.226 -4.059 542 H LYS 71 H LYS 71 -13.982 17.256 0.562 543 HA LYS 71 HA LYS 71 -14.615 14.620 -0.050 544 HB2 LYS 71 HB2 LYS 71 -16.408 14.847 1.578 545 HB3 LYS 71 HB3 LYS 71 -14.890 15.473 2.186 546 HG2 LYS 71 HG2 LYS 71 -15.686 17.750 1.516 547 HG3 LYS 71 HG3 LYS 71 -17.248 16.994 1.223 548 HD2 LYS 71 HD2 LYS 71 -15.767 16.790 3.811 549 HD3 LYS 71 HD3 LYS 71 -16.981 18.033 3.505 550 HE2 LYS 71 HE2 LYS 71 -17.423 15.061 3.401 551 HE3 LYS 71 HE3 LYS 71 -17.836 16.090 4.766 552 HZ1 LYS 71 HZ1 LYS 71 -19.760 15.638 3.382 553 HZ2 LYS 71 HZ2 LYS 71 -18.990 16.312 2.036 554 HZ3 LYS 71 HZ3 LYS 71 -19.387 17.286 3.358 555 H ARG 72 H ARG 72 -15.991 13.783 -1.419 556 HA ARG 72 HA ARG 72 -17.126 15.525 -3.383 557 HB2 ARG 72 HB2 ARG 72 -16.265 13.746 -4.485 558 HB3 ARG 72 HB3 ARG 72 -16.308 12.744 -3.053 559 HG2 ARG 72 HG2 ARG 72 -17.703 11.600 -4.299 560 HG3 ARG 72 HG3 ARG 72 -18.835 12.724 -3.566 561 HD2 ARG 72 HD2 ARG 72 -19.241 12.516 -5.964 562 HD3 ARG 72 HD3 ARG 72 -18.729 14.147 -5.547 563 HE ARG 72 HE ARG 72 -16.412 12.919 -6.230 564 HH11 ARG 72 HH11 ARG 72 -19.513 13.205 -7.828 565 HH12 ARG 72 HH12 ARG 72 -18.835 13.204 -9.424 566 HH21 ARG 72 HH21 ARG 72 -15.512 12.897 -8.335 567 HH22 ARG 72 HH22 ARG 72 -16.560 13.011 -9.713 568 H LYS 73 H LYS 73 -19.395 15.154 -4.127 569 HA LYS 73 HA LYS 73 -21.201 14.350 -1.990 570 HB2 LYS 73 HB2 LYS 73 -22.405 16.499 -3.374 571 HB3 LYS 73 HB3 LYS 73 -22.027 16.375 -1.668 572 HG2 LYS 73 HG2 LYS 73 -20.952 18.309 -2.346 573 HG3 LYS 73 HG3 LYS 73 -19.668 17.102 -2.329 574 HD2 LYS 73 HD2 LYS 73 -20.172 16.764 -4.792 575 HD3 LYS 73 HD3 LYS 73 -21.118 18.249 -4.695 576 HE2 LYS 73 HE2 LYS 73 -19.123 19.440 -3.880 577 HE3 LYS 73 HE3 LYS 73 -18.190 17.951 -4.046 578 HZ1 LYS 73 HZ1 LYS 73 -18.634 17.971 -6.412 579 HZ2 LYS 73 HZ2 LYS 73 -17.889 19.414 -5.943 580 HZ3 LYS 73 HZ3 LYS 73 -19.548 19.388 -6.259 581 H ASP 74 H ASP 74 -23.439 13.965 -2.787 582 HA ASP 74 HA ASP 74 -23.171 12.363 -5.186 583 HB2 ASP 74 HB2 ASP 74 -24.253 11.657 -2.935 584 HB3 ASP 74 HB3 ASP 74 -25.648 12.527 -3.536 585 H ASN 75 H ASN 75 -26.063 12.406 -5.797 586 HA ASN 75 HA ASN 75 -25.776 14.446 -7.803 587 HB2 ASN 75 HB2 ASN 75 -27.656 13.506 -8.872 588 HB3 ASN 75 HB3 ASN 75 -26.799 12.147 -8.162 589 HD21 ASN 75 HD21 ASN 75 -27.720 11.029 -6.452 590 HD22 ASN 75 HD22 ASN 75 -29.392 11.217 -6.030 591 H GLU 76 H GLU 76 -27.183 14.325 -4.706 592 HA GLU 76 HA GLU 76 -28.927 16.604 -5.259 593 HB2 GLU 76 HB2 GLU 76 -29.897 14.828 -3.932 594 HB3 GLU 76 HB3 GLU 76 -28.566 14.862 -2.814 595 HG2 GLU 76 HG3 GLU 76 -30.332 15.958 -1.753 596 HG3 GLU 76 HG2 GLU 76 -29.198 17.196 -2.287 597 H GLY 77 H GLY 77 -25.821 16.063 -4.846 598 HA2 GLY 77 HA3 GLY 77 -24.031 17.418 -4.320 599 HA3 GLY 77 HA2 GLY 77 -25.183 18.717 -4.021 600 H ASN 78 H ASN 78 -25.375 15.638 -2.429 601 HA ASN 78 HA ASN 78 -25.301 17.043 0.084 602 HB2 ASN 78 HB2 ASN 78 -26.137 14.871 1.011 603 HB3 ASN 78 HB3 ASN 78 -27.140 15.577 -0.258 604 HD21 ASN 78 HD21 ASN 78 -26.928 14.762 -2.360 605 HD22 ASN 78 HD22 ASN 78 -26.697 13.081 -2.566 606 H GLU 79 H GLU 79 -24.052 13.713 -0.263 607 HA GLU 79 HA GLU 79 -21.329 14.559 -0.041 608 HB2 GLU 79 HB2 GLU 79 -20.892 13.643 2.187 609 HB3 GLU 79 HB3 GLU 79 -21.985 15.019 2.246 610 HG2 GLU 79 HG3 GLU 79 -23.856 13.565 2.581 611 HG3 GLU 79 HG2 GLU 79 -22.835 12.157 2.303 612 H VAL 80 H VAL 80 -20.040 13.062 -0.866 613 HA VAL 80 HA VAL 80 -20.630 10.231 -0.219 614 HB VAL 80 HB VAL 80 -18.907 10.996 -2.548 615 HG11 VAL 80 HG21 VAL 80 -20.503 8.523 -1.914 616 HG12 VAL 80 HG22 VAL 80 -18.758 8.723 -1.746 617 HG13 VAL 80 HG23 VAL 80 -19.500 8.754 -3.346 618 HG21 VAL 80 HG13 VAL 80 -20.810 10.688 -4.080 619 HG22 VAL 80 HG11 VAL 80 -21.049 12.072 -3.012 620 HG23 VAL 80 HG12 VAL 80 -21.894 10.557 -2.694 621 H VAL 81 H VAL 81 -18.791 9.064 0.489 622 HA VAL 81 HA VAL 81 -16.430 10.752 0.893 623 HB VAL 81 HB VAL 81 -17.291 10.222 3.046 624 HG11 VAL 81 HG21 VAL 81 -17.629 7.898 3.814 625 HG12 VAL 81 HG22 VAL 81 -17.353 7.345 2.163 626 HG13 VAL 81 HG23 VAL 81 -18.735 8.378 2.528 627 HG21 VAL 81 HG13 VAL 81 -14.870 10.108 2.860 628 HG22 VAL 81 HG11 VAL 81 -14.966 8.393 2.459 629 HG23 VAL 81 HG12 VAL 81 -15.454 8.954 4.058 630 HA PRO 82 HA PRO 82 -14.818 8.028 -2.320 631 HB2 PRO 82 HB3 PRO 82 -12.529 9.801 -1.658 632 HB3 PRO 82 HB2 PRO 82 -13.179 9.347 -3.227 633 HG2 PRO 82 HG3 PRO 82 -13.646 11.715 -2.235 634 HG3 PRO 82 HG2 PRO 82 -14.901 10.857 -3.112 635 HD2 PRO 82 HD2 PRO 82 -14.624 11.327 -0.219 636 HD3 PRO 82 HD3 PRO 82 -16.081 11.213 -1.213 637 H LYS 83 H LYS 83 -13.788 6.115 -1.995 638 HA LYS 83 HA LYS 83 -12.378 5.640 0.446 639 HB2 LYS 83 HB2 LYS 83 -13.341 3.696 -0.232 640 HB3 LYS 83 HB3 LYS 83 -13.034 3.977 -1.942 641 HG2 LYS 83 HG2 LYS 83 -10.788 3.263 -1.724 642 HG3 LYS 83 HG3 LYS 83 -10.857 3.332 0.033 643 HD2 LYS 83 HD2 LYS 83 -10.954 1.029 -0.689 644 HD3 LYS 83 HD3 LYS 83 -12.501 1.493 0.015 645 HE2 LYS 83 HE2 LYS 83 -12.992 0.233 -1.926 646 HE3 LYS 83 HE3 LYS 83 -13.314 1.917 -2.330 647 HZ1 LYS 83 HZ1 LYS 83 -12.145 0.825 -4.113 648 HZ2 LYS 83 HZ2 LYS 83 -10.888 0.375 -3.073 649 HZ3 LYS 83 HZ3 LYS 83 -11.145 2.008 -3.427 650 HA PRO 84 HA PRO 84 -8.663 7.616 -0.459 651 HB2 PRO 84 HB3 PRO 84 -7.399 5.399 1.036 652 HB3 PRO 84 HB2 PRO 84 -7.351 7.140 1.332 653 HG2 PRO 84 HG3 PRO 84 -8.826 5.414 2.822 654 HG3 PRO 84 HG2 PRO 84 -9.250 7.116 2.582 655 HD2 PRO 84 HD2 PRO 84 -10.517 4.693 1.474 656 HD3 PRO 84 HD3 PRO 84 -11.174 6.324 1.690 657 H GLN 85 H GLN 85 -7.124 7.555 -1.977 658 HA GLN 85 HA GLN 85 -7.015 5.341 -3.775 659 HB2 GLN 85 HB2 GLN 85 -4.834 7.058 -4.318 660 HB3 GLN 85 HB3 GLN 85 -6.350 6.934 -5.192 661 HG2 GLN 85 HG2 GLN 85 -6.006 9.215 -4.621 662 HG3 GLN 85 HG3 GLN 85 -7.324 8.599 -3.627 663 HE21 GLN 85 HE21 GLN 85 -3.920 7.963 -3.085 664 HE22 GLN 85 HE22 GLN 85 -3.814 8.816 -1.591 665 H ARG 86 H ARG 86 -5.864 3.632 -3.618 666 HA ARG 86 HA ARG 86 -3.608 3.626 -1.743 667 HB2 ARG 86 HB2 ARG 86 -5.151 1.175 -2.578 668 HB3 ARG 86 HB3 ARG 86 -4.157 1.419 -1.140 669 HG2 ARG 86 HG2 ARG 86 -5.805 2.739 -0.105 670 HG3 ARG 86 HG3 ARG 86 -6.717 2.926 -1.597 671 HD2 ARG 86 HD2 ARG 86 -7.538 0.763 -1.524 672 HD3 ARG 86 HD3 ARG 86 -6.259 0.201 -0.456 673 HE ARG 86 HE ARG 86 -7.733 2.057 0.988 674 HH11 ARG 86 HH11 ARG 86 -8.390 -0.961 -0.649 675 HH12 ARG 86 HH12 ARG 86 -9.547 -1.514 0.518 676 HH21 ARG 86 HH21 ARG 86 -9.285 1.357 2.542 677 HH22 ARG 86 HH22 ARG 86 -10.064 -0.188 2.318 678 H HIS 87 H HIS 87 -1.748 2.498 -2.312 679 HA HIS 87 HA HIS 87 -1.421 2.042 -5.207 680 HB2 HIS 87 HB3 HIS 87 0.684 2.631 -3.113 681 HB3 HIS 87 HB2 HIS 87 0.949 2.538 -4.843 682 HD1 HIS 87 HD1 HIS 87 -0.132 4.518 -6.290 683 HD2 HIS 87 HD2 HIS 87 -0.151 5.066 -2.169 684 HE1 HIS 87 HE1 HIS 87 -0.571 6.966 -5.930 685 HE2 HIS 87 HE2 HIS 87 -0.765 7.234 -3.438 686 H MET 88 H MET 88 -1.391 -0.076 -5.729 687 HA MET 88 HA MET 88 -0.604 -1.989 -3.633 688 HB2 MET 88 HB3 MET 88 -2.926 -2.206 -4.433 689 HB3 MET 88 HB2 MET 88 -2.329 -2.452 -6.069 690 HG2 MET 88 HG3 MET 88 -1.132 -4.465 -5.289 691 HG3 MET 88 HG2 MET 88 -1.849 -4.240 -3.699 692 HE1 MET 88 HE1 MET 88 -5.627 -4.781 -4.366 693 HE2 MET 88 HE2 MET 88 -4.903 -3.219 -4.740 694 HE3 MET 88 HE3 MET 88 -4.395 -4.100 -3.296 695 H PHE 89 H PHE 89 1.183 -3.207 -3.900 696 HA PHE 89 HA PHE 89 2.116 -3.608 -6.666 697 HB2 PHE 89 HB3 PHE 89 4.034 -3.961 -4.445 698 HB3 PHE 89 HB2 PHE 89 4.253 -3.172 -6.005 699 HD1 PHE 89 HD2 PHE 89 3.472 -0.831 -6.321 700 HD2 PHE 89 HD1 PHE 89 3.496 -2.713 -2.509 701 HE1 PHE 89 HE2 PHE 89 3.325 1.370 -5.238 702 HE2 PHE 89 HE1 PHE 89 3.354 -0.517 -1.419 703 HZ PHE 89 HZ PHE 89 3.174 1.525 -2.788 704 H SER 90 H SER 90 2.599 -5.725 -7.244 705 HA SER 90 HA SER 90 1.762 -7.744 -5.300 706 HB2 SER 90 HB3 SER 90 2.051 -7.952 -8.292 707 HB3 SER 90 HB2 SER 90 1.512 -9.251 -7.243 708 HG SER 90 HG SER 90 -0.219 -7.825 -6.601 709 H PHE 91 H PHE 91 3.167 -8.998 -4.356 710 HA PHE 91 HA PHE 91 5.939 -8.941 -5.341 711 HB2 PHE 91 HB3 PHE 91 4.879 -9.513 -2.555 712 HB3 PHE 91 HB2 PHE 91 6.577 -9.390 -3.003 713 HD1 PHE 91 HD1 PHE 91 3.442 -7.357 -3.209 714 HD2 PHE 91 HD2 PHE 91 7.633 -7.393 -2.645 715 HE1 PHE 91 HE1 PHE 91 3.415 -4.937 -2.730 716 HE2 PHE 91 HE2 PHE 91 7.604 -4.997 -2.182 717 HZ PHE 91 HZ PHE 91 5.385 -3.741 -2.356 718 H ASN 92 H ASN 92 7.154 -10.866 -5.417 719 HA ASN 92 HA ASN 92 5.441 -13.215 -5.822 720 HB2 ASN 92 HB2 ASN 92 8.257 -12.686 -6.782 721 HB3 ASN 92 HB3 ASN 92 7.279 -14.090 -7.193 722 HD21 ASN 92 HD21 ASN 92 5.452 -13.800 -8.533 723 HD22 ASN 92 HD22 ASN 92 5.324 -12.428 -9.573 724 H ASN 93 H ASN 93 7.350 -11.952 -3.498 725 HA ASN 93 HA ASN 93 8.030 -14.621 -2.463 726 HB2 ASN 93 HB2 ASN 93 10.012 -13.364 -3.405 727 HB3 ASN 93 HB3 ASN 93 9.761 -12.168 -2.143 728 HD21 ASN 93 HD21 ASN 93 12.076 -13.753 -2.579 729 HD22 ASN 93 HD22 ASN 93 12.316 -14.717 -1.163 730 H ARG 94 H ARG 94 7.167 -14.986 -0.572 731 HA ARG 94 HA ARG 94 5.600 -13.218 0.902 732 HB2 ARG 94 HB2 ARG 94 5.312 -15.580 1.168 733 HB3 ARG 94 HB3 ARG 94 6.973 -15.789 1.669 734 HG2 ARG 94 HG2 ARG 94 5.600 -15.997 3.591 735 HG3 ARG 94 HG3 ARG 94 6.467 -14.460 3.707 736 HD2 ARG 94 HD2 ARG 94 4.476 -13.348 2.745 737 HD3 ARG 94 HD3 ARG 94 3.629 -14.887 2.833 738 HE ARG 94 HE ARG 94 4.527 -14.478 5.378 739 HH11 ARG 94 HH11 ARG 94 2.587 -12.680 3.112 740 HH12 ARG 94 HH12 ARG 94 1.687 -11.837 4.334 741 HH21 ARG 94 HH21 ARG 94 3.358 -13.374 7.012 742 HH22 ARG 94 HH22 ARG 94 2.130 -12.230 6.566 743 H THR 95 H THR 95 9.005 -13.951 1.097 744 HA THR 95 HA THR 95 9.439 -12.772 3.653 745 HB THR 95 HB THR 95 11.415 -13.399 1.451 746 HG1 THR 95 HG1 THR 95 10.568 -14.900 3.733 747 HG21 THR 95 HG21 THR 95 12.267 -11.797 3.083 748 HG22 THR 95 HG22 THR 95 13.086 -13.354 3.232 749 HG23 THR 95 HG23 THR 95 11.839 -12.895 4.394 750 H VAL 96 H VAL 96 10.436 -11.770 0.392 751 HA VAL 96 HA VAL 96 11.323 -9.238 0.782 752 HB VAL 96 HB VAL 96 9.468 -10.128 -1.445 753 HG11 VAL 96 HG21 VAL 96 10.486 -8.295 -2.739 754 HG12 VAL 96 HG22 VAL 96 11.374 -7.784 -1.304 755 HG13 VAL 96 HG23 VAL 96 9.614 -7.702 -1.324 756 HG21 VAL 96 HG13 VAL 96 11.529 -10.542 -2.702 757 HG22 VAL 96 HG11 VAL 96 11.490 -11.513 -1.230 758 HG23 VAL 96 HG12 VAL 96 12.493 -10.065 -1.306 759 H MET 97 H MET 97 7.897 -10.095 0.187 760 HA MET 97 HA MET 97 7.014 -7.442 0.490 761 HB2 MET 97 HB3 MET 97 4.812 -8.295 0.345 762 HB3 MET 97 HB2 MET 97 5.828 -9.296 -0.688 763 HG2 MET 97 HG3 MET 97 5.001 -11.062 0.309 764 HG3 MET 97 HG2 MET 97 5.804 -10.577 1.800 765 HE1 MET 97 HE1 MET 97 4.334 -8.370 3.206 766 HE2 MET 97 HE2 MET 97 4.599 -9.975 3.882 767 HE3 MET 97 HE3 MET 97 3.001 -9.233 3.974 768 H ASP 98 H ASP 98 7.634 -9.981 2.818 769 HA ASP 98 HA ASP 98 6.185 -8.741 4.962 770 HB2 ASP 98 HB2 ASP 98 6.723 -11.116 5.083 771 HB3 ASP 98 HB3 ASP 98 8.447 -10.758 5.000 772 H ASN 99 H ASN 99 9.300 -8.476 3.550 773 HA ASN 99 HA ASN 99 10.518 -6.963 5.681 774 HB2 ASN 99 HB2 ASN 99 11.333 -7.488 2.804 775 HB3 ASN 99 HB3 ASN 99 12.339 -6.643 3.966 776 HD21 ASN 99 HD21 ASN 99 12.574 -9.235 2.445 777 HD22 ASN 99 HD22 ASN 99 12.988 -10.386 3.663 778 H ILE 100 H ILE 100 9.360 -6.297 2.413 779 HA ILE 100 HA ILE 100 9.719 -3.520 2.351 780 HB ILE 100 HB ILE 100 7.623 -5.268 1.024 781 HG12 ILE 100 HG13 ILE 100 9.950 -5.797 0.448 782 HG13 ILE 100 HG12 ILE 100 9.087 -5.121 -0.929 783 HG21 ILE 100 HG21 ILE 100 7.105 -3.498 -0.451 784 HG22 ILE 100 HG22 ILE 100 8.442 -2.521 0.137 785 HG23 ILE 100 HG23 ILE 100 7.042 -2.802 1.169 786 HD11 ILE 100 HD11 ILE 100 10.098 -2.918 -0.387 787 HD12 ILE 100 HD12 ILE 100 11.257 -4.163 -0.866 788 HD13 ILE 100 HD13 ILE 100 11.078 -3.732 0.834 789 H LYS 101 H LYS 101 6.820 -5.421 3.265 790 HA LYS 101 HA LYS 101 5.154 -3.321 3.934 791 HB2 LYS 101 HB2 LYS 101 4.154 -5.422 3.761 792 HB3 LYS 101 HB3 LYS 101 5.338 -6.188 4.810 793 HG2 LYS 101 HG2 LYS 101 3.528 -4.123 5.941 794 HG3 LYS 101 HG3 LYS 101 2.894 -5.721 5.616 795 HD2 LYS 101 HD2 LYS 101 5.124 -4.966 7.475 796 HD3 LYS 101 HD3 LYS 101 3.573 -5.677 7.899 797 HE2 LYS 101 HE2 LYS 101 4.259 -7.703 6.583 798 HE3 LYS 101 HE3 LYS 101 5.866 -6.984 6.439 799 HZ1 LYS 101 HZ1 LYS 101 4.506 -7.766 8.957 800 HZ2 LYS 101 HZ2 LYS 101 5.989 -6.960 8.882 801 HZ3 LYS 101 HZ3 LYS 101 5.844 -8.525 8.248 802 H MET 102 H MET 102 7.451 -5.113 5.994 803 HA MET 102 HA MET 102 6.695 -3.749 8.372 804 HB2 MET 102 HB3 MET 102 8.402 -4.973 9.452 805 HB3 MET 102 HB2 MET 102 7.809 -6.033 8.185 806 HG2 MET 102 HG3 MET 102 10.027 -6.338 7.963 807 HG3 MET 102 HG2 MET 102 9.775 -5.033 6.817 808 HE1 MET 102 HE1 MET 102 10.965 -6.011 10.379 809 HE2 MET 102 HE2 MET 102 9.842 -4.709 10.770 810 HE3 MET 102 HE3 MET 102 11.572 -4.487 11.025 811 H THR 103 H THR 103 8.859 -3.076 5.799 812 HA THR 103 HA THR 103 10.464 -1.118 7.053 813 HB THR 103 HB THR 103 9.651 -1.495 4.166 814 HG1 THR 103 HG1 THR 103 11.004 -3.138 5.179 815 HG21 THR 103 HG21 THR 103 11.469 0.002 3.593 816 HG22 THR 103 HG22 THR 103 11.780 0.298 5.304 817 HG23 THR 103 HG23 THR 103 10.255 0.821 4.580 818 H LEU 104 H LEU 104 7.530 -0.959 5.082 819 HA LEU 104 HA LEU 104 7.403 1.875 5.131 820 HB2 LEU 104 HB2 LEU 104 5.262 -0.129 4.436 821 HB3 LEU 104 HB3 LEU 104 5.215 1.567 4.061 822 HG LEU 104 HG LEU 104 7.431 -0.119 2.984 823 HD11 LEU 104 HD11 LEU 104 5.574 -1.392 2.317 824 HD12 LEU 104 HD12 LEU 104 6.012 -0.385 0.936 825 HD13 LEU 104 HD13 LEU 104 4.637 0.053 1.949 826 HD21 LEU 104 HD21 LEU 104 7.501 2.317 2.758 827 HD22 LEU 104 HD22 LEU 104 5.963 2.236 1.896 828 HD23 LEU 104 HD23 LEU 104 7.403 1.484 1.209 829 H GLN 105 H GLN 105 5.266 -0.573 6.575 830 HA GLN 105 HA GLN 105 3.595 1.106 7.947 831 HB2 GLN 105 HB2 GLN 105 4.529 -1.634 8.753 832 HB3 GLN 105 HB3 GLN 105 3.242 -0.771 9.581 833 HG2 GLN 105 HG2 GLN 105 2.213 -0.565 7.230 834 HG3 GLN 105 HG3 GLN 105 3.301 -1.887 6.823 835 HE21 GLN 105 HE21 GLN 105 1.591 -3.255 6.401 836 HE22 GLN 105 HE22 GLN 105 0.610 -3.916 7.652 837 H GLN 106 H GLN 106 6.878 0.291 8.822 838 HA GLN 106 HA GLN 106 6.758 1.136 11.514 839 HB2 GLN 106 HB2 GLN 106 8.873 0.686 9.503 840 HB3 GLN 106 HB3 GLN 106 9.282 1.639 10.902 841 HG2 GLN 106 HG2 GLN 106 8.487 -0.248 12.325 842 HG3 GLN 106 HG3 GLN 106 8.297 -1.192 10.845 843 HE21 GLN 106 HE21 GLN 106 10.110 -1.884 9.734 844 HE22 GLN 106 HE22 GLN 106 11.698 -1.846 10.433 845 H ILE 107 H ILE 107 7.582 2.646 8.495 846 HA ILE 107 HA ILE 107 8.097 5.286 9.352 847 HB ILE 107 HB ILE 107 6.976 4.234 6.736 848 HG12 ILE 107 HG13 ILE 107 9.858 4.827 7.373 849 HG13 ILE 107 HG12 ILE 107 9.160 3.223 7.494 850 HG21 ILE 107 HG21 ILE 107 8.407 6.816 7.283 851 HG22 ILE 107 HG22 ILE 107 6.675 6.625 6.998 852 HG23 ILE 107 HG23 ILE 107 7.823 6.242 5.720 853 HD11 ILE 107 HD11 ILE 107 9.326 4.898 5.003 854 HD12 ILE 107 HD12 ILE 107 8.643 3.279 5.117 855 HD13 ILE 107 HD13 ILE 107 10.362 3.530 5.410 856 H ILE 108 H ILE 108 5.181 3.626 8.254 857 HA ILE 108 HA ILE 108 3.546 5.904 7.982 858 HB ILE 108 HB ILE 108 2.677 3.089 8.635 859 HG12 ILE 108 HG13 ILE 108 3.990 4.280 6.298 860 HG13 ILE 108 HG12 ILE 108 3.959 2.619 6.845 861 HG21 ILE 108 HG21 ILE 108 1.303 5.431 7.366 862 HG22 ILE 108 HG22 ILE 108 0.781 4.439 8.735 863 HG23 ILE 108 HG23 ILE 108 0.758 3.775 7.099 864 HD11 ILE 108 HD11 ILE 108 1.611 2.513 5.918 865 HD12 ILE 108 HD12 ILE 108 2.941 2.624 4.760 866 HD13 ILE 108 HD13 ILE 108 1.978 4.057 5.136 867 H SER 109 H SER 109 3.330 3.428 10.531 868 HA SER 109 HA SER 109 1.848 4.838 12.374 869 HB2 SER 109 HB3 SER 109 4.112 2.912 12.948 870 HB3 SER 109 HB2 SER 109 2.827 3.355 14.072 871 HG SER 109 HG SER 109 2.683 1.338 12.602 872 H ARG 110 H ARG 110 5.199 5.237 11.546 873 HA ARG 110 HA ARG 110 5.959 6.787 13.807 874 HB2 ARG 110 HB2 ARG 110 7.131 5.991 11.235 875 HB3 ARG 110 HB3 ARG 110 7.768 7.470 11.884 876 HG2 ARG 110 HG2 ARG 110 8.327 6.265 13.950 877 HG3 ARG 110 HG3 ARG 110 7.689 4.801 13.205 878 HD2 ARG 110 HD2 ARG 110 9.283 5.077 11.367 879 HD3 ARG 110 HD3 ARG 110 9.966 6.445 12.216 880 HE ARG 110 HE ARG 110 9.966 4.134 13.862 881 HH11 ARG 110 HH11 ARG 110 11.647 5.609 11.171 882 HH12 ARG 110 HH12 ARG 110 13.141 4.787 11.483 883 HH21 ARG 110 HH21 ARG 110 11.927 3.036 14.268 884 HH22 ARG 110 HH22 ARG 110 13.300 3.321 13.246 885 H TYR 111 H TYR 111 4.628 7.470 10.653 886 HA TYR 111 HA TYR 111 4.934 10.322 11.011 887 HB2 TYR 111 HB3 TYR 111 4.169 8.558 8.764 888 HB3 TYR 111 HB2 TYR 111 3.538 10.197 8.741 889 HD1 TYR 111 HD2 TYR 111 5.209 12.125 8.896 890 HD2 TYR 111 HD1 TYR 111 6.351 8.114 8.172 891 HE1 TYR 111 HE2 TYR 111 7.378 12.908 8.037 892 HE2 TYR 111 HE1 TYR 111 8.530 8.870 7.312 893 HH TYR 111 HH TYR 111 9.692 11.987 7.768 894 H LYS 112 H LYS 112 2.530 7.957 11.563 895 HA LYS 112 HA LYS 112 0.355 9.879 11.591 896 HB2 LYS 112 HB2 LYS 112 0.483 6.967 12.384 897 HB3 LYS 112 HB3 LYS 112 -0.985 7.939 12.412 898 HG2 LYS 112 HG2 LYS 112 -1.230 7.877 10.181 899 HG3 LYS 112 HG3 LYS 112 0.507 7.981 9.885 900 HD2 LYS 112 HD2 LYS 112 -0.187 5.845 9.137 901 HD3 LYS 112 HD3 LYS 112 0.677 5.604 10.644 902 HE2 LYS 112 HE2 LYS 112 -1.419 4.262 10.386 903 HE3 LYS 112 HE3 LYS 112 -1.315 5.240 11.838 904 HZ1 LYS 112 HZ1 LYS 112 -3.506 5.347 10.785 905 HZ2 LYS 112 HZ2 LYS 112 -2.813 5.993 9.383 906 HZ3 LYS 112 HZ3 LYS 112 -2.770 6.867 10.833 907 H ASP 113 H ASP 113 2.594 8.443 13.791 908 HA ASP 113 HA ASP 113 1.276 9.378 16.158 909 HB2 ASP 113 HB2 ASP 113 2.879 7.495 16.206 910 HB3 ASP 113 HB3 ASP 113 4.170 8.596 15.734 911 H ALA 114 H ALA 114 3.245 10.707 13.731 912 HA ALA 114 HA ALA 114 3.566 13.181 15.297 913 HB1 ALA 114 HB1 ALA 114 5.368 12.141 13.109 914 HB2 ALA 114 HB2 ALA 114 5.727 12.130 14.836 915 HB3 ALA 114 HB3 ALA 114 5.567 13.662 13.977 916 H ASP 115 H ASP 115 1.287 12.363 13.687 917 HA ASP 115 HA ASP 115 1.456 13.992 11.286 918 HB2 ASP 115 HB2 ASP 115 0.221 11.829 11.284 919 HB3 ASP 115 HB3 ASP 115 -0.926 12.515 12.425 920 H1 GLY 242 H1 GLY 242 -16.575 13.439 15.499 921 H2 GLY 242 H2 GLY 242 -17.262 12.225 16.453 922 H3 GLY 242 H3 GLY 242 -16.243 11.816 15.168 923 HA2 GLY 242 HA2 GLY 242 -14.377 12.885 16.274 924 HA3 GLY 242 HA3 GLY 242 -15.439 13.282 17.615 925 H GLY 243 H GLY 243 -14.873 10.347 15.675 926 HA2 GLY 243 HA3 GLY 243 -13.721 8.957 17.909 927 HA3 GLY 243 HA2 GLY 243 -15.367 8.443 17.566 928 H GLY 244 H GLY 244 -13.347 9.567 15.019 929 HA2 GLY 244 HA3 GLY 244 -12.253 7.062 14.237 930 HA3 GLY 244 HA2 GLY 244 -13.716 7.427 13.329 931 H GLY 245 H GLY 245 -10.432 8.384 13.998 932 HA2 GLY 245 HA3 GLY 245 -10.550 10.219 11.682 933 HA3 GLY 245 HA2 GLY 245 -9.451 10.423 13.041 934 H TYR 246 H TYR 246 -10.279 8.319 10.354 935 HA TYR 246 HA TYR 246 -9.093 6.851 9.097 936 HB2 TYR 246 HB3 TYR 246 -6.678 8.221 10.307 937 HB3 TYR 246 HB2 TYR 246 -6.614 7.053 8.996 938 HD1 TYR 246 HD1 TYR 246 -7.402 7.654 6.758 939 HD2 TYR 246 HD2 TYR 246 -7.413 10.494 9.920 940 HE1 TYR 246 HE1 TYR 246 -7.652 9.469 5.117 941 HE2 TYR 246 HE2 TYR 246 -7.670 12.317 8.291 942 HH TYR 246 HH TYR 246 -8.477 11.794 5.035 943 H ASP 247 H ASP 247 -10.204 5.823 11.230 944 HA ASP 247 HA ASP 247 -8.187 4.026 12.389 945 HB2 ASP 247 HB2 ASP 247 -10.558 5.256 13.814 946 HB3 ASP 247 HB3 ASP 247 -9.548 3.979 14.479 947 H VAL 248 H VAL 248 -8.559 2.003 11.810 948 HA VAL 248 HA VAL 248 -9.582 0.116 11.060 949 HB VAL 248 HB VAL 248 -12.052 1.088 12.509 950 HG11 VAL 248 HG21 VAL 248 -11.057 -1.690 11.870 951 HG12 VAL 248 HG22 VAL 248 -12.408 -0.864 11.095 952 HG13 VAL 248 HG23 VAL 248 -12.504 -1.307 12.800 953 HG21 VAL 248 HG13 VAL 248 -9.685 -0.414 13.627 954 HG22 VAL 248 HG11 VAL 248 -11.195 -0.093 14.481 955 HG23 VAL 248 HG12 VAL 248 -10.146 1.244 14.011 956 H GLU 249 H GLU 249 -9.380 1.640 9.067 957 HA GLU 249 HA GLU 249 -11.685 2.728 7.887 958 HB2 GLU 249 HB2 GLU 249 -9.431 3.332 7.152 959 HB3 GLU 249 HB3 GLU 249 -9.172 1.695 6.561 960 HG2 GLU 249 HG3 GLU 249 -10.983 2.002 4.941 961 HG3 GLU 249 HG2 GLU 249 -11.212 3.650 5.522 962 H MET 250 H MET 250 -13.431 1.681 7.352 963 HA MET 250 HA MET 250 -13.184 -0.810 5.809 964 HB2 MET 250 HB3 MET 250 -15.123 -0.191 8.040 965 HB3 MET 250 HB2 MET 250 -15.441 -1.440 6.847 966 HG2 MET 250 HG3 MET 250 -13.084 -1.348 8.715 967 HG3 MET 250 HG2 MET 250 -14.515 -2.360 8.902 968 HE1 MET 250 HE1 MET 250 -15.182 -4.293 7.189 969 HE2 MET 250 HE2 MET 250 -14.204 -4.751 5.796 970 HE3 MET 250 HE3 MET 250 -15.039 -3.199 5.814 971 H GLU 251 H GLU 251 -13.247 1.776 4.818 972 HA GLU 251 HA GLU 251 -15.937 2.542 4.163 973 HB2 GLU 251 HB2 GLU 251 -14.086 4.177 4.536 974 HB3 GLU 251 HB3 GLU 251 -13.332 3.603 3.055 975 HG2 GLU 251 HG3 GLU 251 -14.625 5.711 2.807 976 HG3 GLU 251 HG2 GLU 251 -15.138 4.410 1.731 977 H SER 252 H SER 252 -16.957 2.382 2.229 978 HA SER 252 HA SER 252 -17.634 1.376 0.322 979 HB2 SER 252 HB3 SER 252 -14.722 1.739 -0.367 980 HB3 SER 252 HB2 SER 252 -16.021 1.468 -1.532 981 HG SER 252 HG SER 252 -16.418 3.543 0.253 982 H GLU 253 H GLU 253 -17.707 -0.505 1.983 983 HA GLU 253 HA GLU 253 -15.862 -2.638 1.473 984 HB2 GLU 253 HB2 GLU 253 -17.726 -3.909 2.882 985 HB3 GLU 253 HB3 GLU 253 -16.502 -2.894 3.627 986 HG2 GLU 253 HG3 GLU 253 -18.667 -2.448 4.581 987 HG3 GLU 253 HG2 GLU 253 -18.073 -1.047 3.695 988 H GLU 254 H GLU 254 -18.705 -1.511 0.021 989 HA GLU 254 HA GLU 254 -19.632 -3.956 -1.044 990 HB2 GLU 254 HB2 GLU 254 -20.551 -2.264 -2.863 991 HB3 GLU 254 HB3 GLU 254 -21.279 -2.406 -1.278 992 HG2 GLU 254 HG3 GLU 254 -21.130 -0.118 -1.741 993 HG3 GLU 254 HG2 GLU 254 -19.857 -0.459 -0.575 994 H GLU 255 H GLU 255 -17.161 -1.670 -2.027 995 HA GLU 255 HA GLU 255 -16.504 -3.007 -4.451 996 HB2 GLU 255 HB2 GLU 255 -15.026 -1.131 -2.635 997 HB3 GLU 255 HB3 GLU 255 -14.195 -1.913 -3.969 998 HG2 GLU 255 HG3 GLU 255 -15.920 -0.948 -5.496 999 HG3 GLU 255 HG2 GLU 255 -16.533 -0.034 -4.118 1000 H SER 256 H SER 256 -14.960 -3.048 -1.246 1001 HA SER 256 HA SER 256 -14.498 -5.887 -1.422 1002 HB2 SER 256 HB3 SER 256 -12.159 -3.961 -1.317 1003 HB3 SER 256 HB2 SER 256 -12.046 -5.708 -1.106 1004 HG SER 256 HG SER 256 -13.382 -5.153 -3.369 1005 H ASP 257 H ASP 257 -14.492 -6.778 0.566 1006 HA ASP 257 HA ASP 257 -14.893 -4.990 2.827 1007 HB2 ASP 257 HB2 ASP 257 -15.028 -8.013 2.773 1008 HB3 ASP 257 HB3 ASP 257 -15.645 -6.952 4.033 1009 H ASP 258 H ASP 258 -13.051 -7.992 2.344 1010 HA ASP 258 HA ASP 258 -11.245 -7.287 4.495 1011 HB2 ASP 258 HB2 ASP 258 -11.993 -9.592 4.312 1012 HB3 ASP 258 HB3 ASP 258 -11.374 -9.695 2.669 1013 H ASP 259 H ASP 259 -11.250 -7.469 1.026 1014 HA ASP 259 HA ASP 259 -9.942 -6.538 -0.559 1015 HB2 ASP 259 HB2 ASP 259 -9.018 -5.114 1.824 1016 HB3 ASP 259 HB3 ASP 259 -7.798 -5.241 0.563 1017 H GLY 260 H GLY 260 -8.650 -8.605 1.844 1018 HA2 GLY 260 HA3 GLY 260 -7.564 -10.601 1.142 1019 HA3 GLY 260 HA2 GLY 260 -6.933 -9.735 -0.249 1020 H PHE 261 H PHE 261 -6.408 -7.642 2.130 1021 HA PHE 261 HA PHE 261 -3.820 -8.786 2.897 1022 HB2 PHE 261 HB3 PHE 261 -4.230 -5.869 2.223 1023 HB3 PHE 261 HB2 PHE 261 -2.709 -6.686 2.542 1024 HD1 PHE 261 HD2 PHE 261 -3.549 -9.117 0.678 1025 HD2 PHE 261 HD1 PHE 261 -3.388 -4.898 0.215 1026 HE1 PHE 261 HE2 PHE 261 -3.257 -9.400 -1.744 1027 HE2 PHE 261 HE1 PHE 261 -3.093 -5.172 -2.209 1028 HZ PHE 261 HZ PHE 261 -3.025 -7.424 -3.193 1029 H VAL 262 H VAL 262 -2.893 -7.712 4.815 1030 HA VAL 262 HA VAL 262 -4.843 -6.272 6.483 1031 HB VAL 262 HB VAL 262 -4.109 -7.535 8.472 1032 HG11 VAL 262 HG21 VAL 262 -5.204 -9.299 6.288 1033 HG12 VAL 262 HG22 VAL 262 -6.141 -8.225 7.327 1034 HG13 VAL 262 HG23 VAL 262 -5.307 -9.615 8.020 1035 HG21 VAL 262 HG13 VAL 262 -1.908 -8.223 7.706 1036 HG22 VAL 262 HG11 VAL 262 -2.639 -9.276 6.495 1037 HG23 VAL 262 HG12 VAL 262 -2.850 -9.627 8.210 1038 H GLU 263 H GLU 263 -3.678 -5.224 8.399 1039 HA GLU 263 HA GLU 263 -0.994 -4.432 7.555 1040 HB2 GLU 263 HB2 GLU 263 -1.532 -2.828 9.692 1041 HB3 GLU 263 HB3 GLU 263 -1.719 -2.388 8.005 1042 HG2 GLU 263 HG3 GLU 263 -3.634 -1.780 9.303 1043 HG3 GLU 263 HG2 GLU 263 -4.065 -2.973 8.089 1044 H VAL 264 H VAL 264 0.657 -5.410 8.476 1045 HA VAL 264 HA VAL 264 0.360 -6.458 11.192 1046 HB VAL 264 HB VAL 264 2.591 -6.903 9.185 1047 HG11 VAL 264 HG21 VAL 264 2.058 -8.211 11.855 1048 HG12 VAL 264 HG22 VAL 264 3.368 -7.088 11.490 1049 HG13 VAL 264 HG23 VAL 264 3.326 -8.674 10.719 1050 HG21 VAL 264 HG13 VAL 264 0.346 -8.735 10.037 1051 HG22 VAL 264 HG11 VAL 264 1.665 -9.156 8.945 1052 HG23 VAL 264 HG12 VAL 264 0.487 -7.930 8.476 1053 H ASP 265 H ASP 265 0.697 -4.827 12.577 1054 HA ASP 265 HA ASP 265 3.008 -3.066 12.109 1055 HB2 ASP 265 HB2 ASP 265 0.781 -1.925 12.073 1056 HB3 ASP 265 HB3 ASP 265 0.522 -2.459 13.718 Start of MODEL 6 1 H2 PRO 1 H2 PRO 1 19.551 -4.023 3.918 2 H3 PRO 1 H3 PRO 1 18.985 -5.280 4.791 3 HA PRO 1 HA PRO 1 18.548 -4.581 2.139 4 HB2 PRO 1 HB3 PRO 1 18.409 -7.393 1.997 5 HB3 PRO 1 HB2 PRO 1 19.494 -6.329 1.091 6 HG2 PRO 1 HG3 PRO 1 19.983 -7.831 3.607 7 HG3 PRO 1 HG2 PRO 1 21.112 -7.420 2.303 8 HD2 PRO 1 HD2 PRO 1 21.202 -6.123 4.631 9 HD3 PRO 1 HD3 PRO 1 21.446 -5.255 3.105 10 H SER 2 H SER 2 16.511 -4.035 2.539 11 HA SER 2 HA SER 2 14.522 -5.904 3.193 12 HB2 SER 2 HB3 SER 2 15.454 -5.724 5.450 13 HB3 SER 2 HB2 SER 2 15.210 -3.996 5.385 14 HG SER 2 HG SER 2 13.546 -5.453 6.432 15 H HIS 3 H HIS 3 15.581 -2.591 3.054 16 HA HIS 3 HA HIS 3 12.917 -1.500 2.771 17 HB2 HIS 3 HB3 HIS 3 15.677 -0.281 2.651 18 HB3 HIS 3 HB2 HIS 3 14.213 0.650 2.381 19 HD1 HIS 3 HD1 HIS 3 14.094 -1.924 5.060 20 HD2 HIS 3 HD2 HIS 3 14.822 2.149 4.695 21 HE1 HIS 3 HE1 HIS 3 13.998 -1.011 7.398 22 HE2 HIS 3 HE2 HIS 3 14.218 1.482 7.117 23 H SER 4 H SER 4 14.010 -3.392 0.742 24 HA SER 4 HA SER 4 13.154 -1.995 -1.615 25 HB2 SER 4 HB3 SER 4 16.033 -2.950 -1.534 26 HB3 SER 4 HB2 SER 4 15.190 -2.271 -2.930 27 HG SER 4 HG SER 4 15.006 -0.626 -0.790 28 H GLY 5 H GLY 5 12.699 -3.436 -3.318 29 HA2 GLY 5 HA3 GLY 5 13.416 -6.122 -3.491 30 HA3 GLY 5 HA2 GLY 5 11.948 -6.039 -2.522 31 H ALA 6 H ALA 6 12.279 -7.196 -5.192 32 HA ALA 6 HA ALA 6 11.258 -5.296 -7.070 33 HB1 ALA 6 HB1 ALA 6 11.255 -7.093 -8.665 34 HB2 ALA 6 HB2 ALA 6 11.471 -8.283 -7.378 35 HB3 ALA 6 HB3 ALA 6 12.754 -7.125 -7.738 36 H ALA 7 H ALA 7 9.173 -5.068 -7.842 37 HA ALA 7 HA ALA 7 7.085 -6.908 -6.965 38 HB1 ALA 7 HB1 ALA 7 6.914 -3.947 -6.412 39 HB2 ALA 7 HB2 ALA 7 7.115 -5.211 -5.200 40 HB3 ALA 7 HB3 ALA 7 5.628 -5.125 -6.148 41 H ILE 8 H ILE 8 5.089 -6.616 -8.104 42 HA ILE 8 HA ILE 8 5.469 -5.514 -10.805 43 HB ILE 8 HB ILE 8 3.504 -7.530 -9.699 44 HG12 ILE 8 HG13 ILE 8 4.457 -8.987 -11.503 45 HG13 ILE 8 HG12 ILE 8 5.656 -7.747 -11.808 46 HG21 ILE 8 HG21 ILE 8 2.498 -7.655 -11.903 47 HG22 ILE 8 HG22 ILE 8 3.560 -6.365 -12.468 48 HG23 ILE 8 HG23 ILE 8 2.349 -6.030 -11.228 49 HD11 ILE 8 HD11 ILE 8 5.306 -9.295 -9.255 50 HD12 ILE 8 HD12 ILE 8 6.498 -8.021 -9.522 51 HD13 ILE 8 HD13 ILE 8 6.580 -9.516 -10.455 52 H PHE 9 H PHE 9 4.390 -3.778 -11.442 53 HA PHE 9 HA PHE 9 2.004 -2.994 -9.966 54 HB2 PHE 9 HB3 PHE 9 3.751 -1.719 -8.923 55 HB3 PHE 9 HB2 PHE 9 4.408 -1.244 -10.479 56 HD1 PHE 9 HD1 PHE 9 1.440 -0.863 -8.284 57 HD2 PHE 9 HD2 PHE 9 3.740 0.729 -11.489 58 HE1 PHE 9 HE1 PHE 9 0.130 1.218 -8.193 59 HE2 PHE 9 HE2 PHE 9 2.429 2.802 -11.408 60 HZ PHE 9 HZ PHE 9 0.619 3.050 -9.758 61 H GLU 10 H GLU 10 0.435 -2.807 -11.391 62 HA GLU 10 HA GLU 10 -0.754 -2.390 -13.265 63 HB2 GLU 10 HB2 GLU 10 1.608 -0.672 -14.059 64 HB3 GLU 10 HB3 GLU 10 0.051 -0.701 -14.873 65 HG2 GLU 10 HG3 GLU 10 -0.988 -0.001 -12.714 66 HG3 GLU 10 HG2 GLU 10 0.640 0.242 -12.086 67 H LYS 11 H LYS 11 0.705 -4.651 -13.059 68 HA LYS 11 HA LYS 11 0.995 -6.525 -14.264 69 HB2 LYS 11 HB2 LYS 11 0.328 -4.963 -16.739 70 HB3 LYS 11 HB3 LYS 11 0.178 -6.701 -16.488 71 HG2 LYS 11 HG2 LYS 11 -1.342 -4.629 -14.972 72 HG3 LYS 11 HG3 LYS 11 -1.974 -5.497 -16.355 73 HD2 LYS 11 HD2 LYS 11 -2.077 -7.470 -15.183 74 HD3 LYS 11 HD3 LYS 11 -0.931 -6.933 -13.973 75 HE2 LYS 11 HE2 LYS 11 -2.581 -5.301 -13.190 76 HE3 LYS 11 HE3 LYS 11 -3.738 -5.929 -14.362 77 HZ1 LYS 11 HZ1 LYS 11 -2.510 -7.527 -12.178 78 HZ2 LYS 11 HZ2 LYS 11 -3.696 -8.055 -13.264 79 HZ3 LYS 11 HZ3 LYS 11 -4.063 -6.858 -12.129 80 H VAL 12 H VAL 12 3.042 -4.091 -14.279 81 HA VAL 12 HA VAL 12 4.952 -5.526 -15.998 82 HB VAL 12 HB VAL 12 5.130 -3.427 -16.893 83 HG11 VAL 12 HG21 VAL 12 4.828 -1.326 -15.681 84 HG12 VAL 12 HG22 VAL 12 4.585 -2.230 -14.184 85 HG13 VAL 12 HG23 VAL 12 3.430 -2.387 -15.509 86 HG21 VAL 12 HG13 VAL 12 6.951 -3.332 -14.495 87 HG22 VAL 12 HG11 VAL 12 7.030 -2.180 -15.835 88 HG23 VAL 12 HG12 VAL 12 7.336 -3.890 -16.124 89 H SER 13 H SER 13 6.653 -6.469 -15.103 90 HA SER 13 HA SER 13 6.887 -6.536 -12.248 91 HB2 SER 13 HB3 SER 13 7.276 -8.547 -13.651 92 HB3 SER 13 HB2 SER 13 8.677 -7.755 -14.367 93 HG SER 13 HG SER 13 8.347 -8.858 -11.827 94 H GLY 14 H GLY 14 7.936 -5.102 -11.097 95 HA2 GLY 14 HA3 GLY 14 10.349 -3.888 -12.218 96 HA3 GLY 14 HA2 GLY 14 9.095 -2.854 -11.567 97 H ILE 15 H ILE 15 10.630 -2.056 -10.067 98 HA ILE 15 HA ILE 15 11.182 -3.903 -7.879 99 HB ILE 15 HB ILE 15 12.991 -1.646 -8.610 100 HG12 ILE 15 HG13 ILE 15 12.819 -3.281 -10.478 101 HG13 ILE 15 HG12 ILE 15 14.416 -3.148 -9.787 102 HG21 ILE 15 HG21 ILE 15 14.635 -2.886 -7.286 103 HG22 ILE 15 HG22 ILE 15 13.417 -4.113 -6.946 104 HG23 ILE 15 HG23 ILE 15 13.206 -2.471 -6.340 105 HD11 ILE 15 HD11 ILE 15 14.129 -5.240 -8.648 106 HD12 ILE 15 HD12 ILE 15 13.802 -5.422 -10.375 107 HD13 ILE 15 HD13 ILE 15 12.464 -5.342 -9.226 108 H ILE 16 H ILE 16 11.286 -2.992 -5.810 109 HA ILE 16 HA ILE 16 10.028 -0.343 -5.550 110 HB ILE 16 HB ILE 16 9.053 -2.885 -4.648 111 HG12 ILE 16 HG13 ILE 16 8.027 -0.082 -4.202 112 HG13 ILE 16 HG12 ILE 16 7.775 -1.028 -5.664 113 HG21 ILE 16 HG21 ILE 16 10.293 -2.515 -2.585 114 HG22 ILE 16 HG22 ILE 16 8.561 -2.342 -2.300 115 HG23 ILE 16 HG23 ILE 16 9.582 -0.908 -2.425 116 HD11 ILE 16 HD11 ILE 16 6.799 -1.763 -2.916 117 HD12 ILE 16 HD12 ILE 16 6.510 -2.671 -4.401 118 HD13 ILE 16 HD13 ILE 16 5.822 -1.059 -4.202 119 H ALA 17 H ALA 17 11.068 1.037 -4.251 120 HA ALA 17 HA ALA 17 12.992 -0.050 -2.324 121 HB1 ALA 17 HB1 ALA 17 13.578 2.107 -4.339 122 HB2 ALA 17 HB2 ALA 17 14.314 0.501 -4.222 123 HB3 ALA 17 HB3 ALA 17 14.614 1.700 -2.967 124 H ILE 18 H ILE 18 12.144 0.557 -0.444 125 HA ILE 18 HA ILE 18 11.047 3.193 -0.012 126 HB ILE 18 HB ILE 18 11.783 1.206 2.116 127 HG12 ILE 18 HG13 ILE 18 9.138 0.912 2.014 128 HG13 ILE 18 HG12 ILE 18 9.405 1.304 0.320 129 HG21 ILE 18 HG21 ILE 18 10.251 2.485 3.486 130 HG22 ILE 18 HG22 ILE 18 9.822 3.499 2.110 131 HG23 ILE 18 HG23 ILE 18 11.460 3.569 2.775 132 HD11 ILE 18 HD11 ILE 18 10.770 -0.921 1.795 133 HD12 ILE 18 HD12 ILE 18 10.894 -0.554 0.074 134 HD13 ILE 18 HD13 ILE 18 9.363 -1.095 0.754 135 H ASN 19 H ASN 19 12.606 4.743 -0.075 136 HA ASN 19 HA ASN 19 15.079 4.230 1.422 137 HB2 ASN 19 HB2 ASN 19 15.870 4.688 -0.694 138 HB3 ASN 19 HB3 ASN 19 14.494 5.707 -1.092 139 HD21 ASN 19 HD21 ASN 19 14.547 7.860 -0.622 140 HD22 ASN 19 HD22 ASN 19 15.982 8.685 -0.121 141 H GLU 20 H GLU 20 15.369 5.352 3.299 142 HA GLU 20 HA GLU 20 13.942 7.925 3.326 143 HB2 GLU 20 HB2 GLU 20 15.351 6.528 5.617 144 HB3 GLU 20 HB3 GLU 20 14.387 7.984 5.724 145 HG2 GLU 20 HG3 GLU 20 12.413 6.686 5.044 146 HG3 GLU 20 HG2 GLU 20 13.409 5.236 5.077 147 H ASP 21 H ASP 21 15.731 8.495 1.727 148 HA ASP 21 HA ASP 21 17.691 9.982 3.340 149 HB2 ASP 21 HB2 ASP 21 18.902 8.712 1.679 150 HB3 ASP 21 HB3 ASP 21 17.779 9.187 0.416 151 H VAL 22 H VAL 22 14.805 9.872 2.011 152 HA VAL 22 HA VAL 22 14.922 12.245 0.307 153 HB VAL 22 HB VAL 22 14.305 9.989 -0.568 154 HG11 VAL 22 HG21 VAL 22 13.146 9.318 1.548 155 HG12 VAL 22 HG22 VAL 22 12.346 8.859 0.050 156 HG13 VAL 22 HG23 VAL 22 11.751 10.234 0.981 157 HG21 VAL 22 HG13 VAL 22 12.191 12.113 -0.767 158 HG22 VAL 22 HG11 VAL 22 12.150 10.615 -1.699 159 HG23 VAL 22 HG12 VAL 22 13.489 11.753 -1.906 160 H SER 23 H SER 23 12.689 13.349 0.133 161 HA SER 23 HA SER 23 11.678 14.513 2.422 162 HB2 SER 23 HB3 SER 23 9.522 14.278 0.638 163 HB3 SER 23 HB2 SER 23 10.683 15.605 0.706 164 HG SER 23 HG SER 23 10.642 13.331 -0.969 165 HA PRO 24 HA PRO 24 9.668 12.073 5.087 166 HB2 PRO 24 HB3 PRO 24 6.926 11.878 4.681 167 HB3 PRO 24 HB2 PRO 24 7.723 13.191 5.554 168 HG2 PRO 24 HG3 PRO 24 6.948 13.056 2.650 169 HG3 PRO 24 HG2 PRO 24 6.607 14.346 3.812 170 HD2 PRO 24 HD2 PRO 24 8.617 14.694 2.196 171 HD3 PRO 24 HD3 PRO 24 8.935 14.947 3.930 172 H ALA 25 H ALA 25 9.655 9.844 5.272 173 HA ALA 25 HA ALA 25 11.007 8.699 3.370 174 HB1 ALA 25 HB1 ALA 25 10.340 7.698 5.604 175 HB2 ALA 25 HB2 ALA 25 10.753 6.621 4.268 176 HB3 ALA 25 HB3 ALA 25 9.059 6.890 4.692 177 H GLU 26 H GLU 26 10.927 7.655 1.507 178 HA GLU 26 HA GLU 26 8.329 7.534 0.239 179 HB2 GLU 26 HB2 GLU 26 10.782 8.893 -0.872 180 HB3 GLU 26 HB3 GLU 26 9.502 8.297 -1.921 181 HG2 GLU 26 HG3 GLU 26 7.889 9.695 -0.663 182 HG3 GLU 26 HG2 GLU 26 9.236 10.360 0.254 183 H LEU 27 H LEU 27 7.939 5.902 -1.049 184 HA LEU 27 HA LEU 27 9.967 3.785 -1.363 185 HB2 LEU 27 HB2 LEU 27 7.957 2.960 -0.386 186 HB3 LEU 27 HB3 LEU 27 6.952 3.887 -1.468 187 HG LEU 27 HG LEU 27 8.631 1.566 -2.434 188 HD11 LEU 27 HD11 LEU 27 6.649 0.206 -2.232 189 HD12 LEU 27 HD12 LEU 27 5.762 1.574 -1.553 190 HD13 LEU 27 HD13 LEU 27 7.101 0.854 -0.653 191 HD21 LEU 27 HD21 LEU 27 7.063 1.518 -4.290 192 HD22 LEU 27 HD22 LEU 27 7.759 3.130 -4.159 193 HD23 LEU 27 HD23 LEU 27 6.124 2.826 -3.572 194 H THR 28 H THR 28 10.470 3.103 -3.456 195 HA THR 28 HA THR 28 9.287 4.739 -5.579 196 HB THR 28 HB THR 28 12.216 4.040 -5.526 197 HG1 THR 28 HG1 THR 28 12.389 5.553 -4.058 198 HG21 THR 28 HG21 THR 28 10.516 5.966 -7.098 199 HG22 THR 28 HG22 THR 28 11.377 4.546 -7.707 200 HG23 THR 28 HG23 THR 28 12.283 5.949 -7.139 201 H TRP 29 H TRP 29 8.145 3.308 -6.714 202 HA TRP 29 HA TRP 29 9.279 0.685 -7.256 203 HB2 TRP 29 HB3 TRP 29 6.860 0.835 -6.886 204 HB3 TRP 29 HB2 TRP 29 6.711 1.934 -8.255 205 HD1 TRP 29 HD1 TRP 29 7.411 -1.771 -7.466 206 HE1 TRP 29 HE1 TRP 29 6.999 -3.156 -9.601 207 HE3 TRP 29 HE3 TRP 29 6.616 2.052 -10.759 208 HZ2 TRP 29 HZ2 TRP 29 6.436 -2.676 -12.320 209 HZ3 TRP 29 HZ3 TRP 29 6.145 1.502 -13.103 210 HH2 TRP 29 HH2 TRP 29 6.057 -0.808 -13.868 211 H ARG 30 H ARG 30 10.709 0.470 -8.721 212 HA ARG 30 HA ARG 30 10.613 2.154 -11.131 213 HB2 ARG 30 HB2 ARG 30 12.497 2.808 -9.782 214 HB3 ARG 30 HB3 ARG 30 12.956 1.126 -9.525 215 HG2 ARG 30 HG2 ARG 30 12.843 1.857 -12.327 216 HG3 ARG 30 HG3 ARG 30 14.002 2.817 -11.408 217 HD2 ARG 30 HD2 ARG 30 15.109 0.860 -10.629 218 HD3 ARG 30 HD3 ARG 30 13.871 -0.197 -11.297 219 HE ARG 30 HE ARG 30 15.080 1.387 -13.329 220 HH11 ARG 30 HH11 ARG 30 15.737 -1.360 -11.256 221 HH12 ARG 30 HH12 ARG 30 16.802 -2.125 -12.395 222 HH21 ARG 30 HH21 ARG 30 16.503 0.378 -14.823 223 HH22 ARG 30 HH22 ARG 30 17.234 -1.140 -14.410 224 H SER 31 H SER 31 10.233 0.969 -12.932 225 HA SER 31 HA SER 31 9.873 -1.788 -12.908 226 HB2 SER 31 HB3 SER 31 10.602 -0.088 -15.303 227 HB3 SER 31 HB2 SER 31 9.778 -1.645 -15.334 228 HG SER 31 HG SER 31 8.319 -0.230 -13.767 229 H THR 32 H THR 32 11.113 -3.493 -13.464 230 HA THR 32 HA THR 32 13.795 -3.513 -12.766 231 HB THR 32 HB THR 32 12.437 -5.476 -14.624 232 HG1 THR 32 HG1 THR 32 12.594 -5.479 -11.772 233 HG21 THR 32 HG21 THR 32 14.871 -5.754 -14.482 234 HG22 THR 32 HG22 THR 32 14.032 -7.085 -13.685 235 HG23 THR 32 HG23 THR 32 14.765 -5.801 -12.723 236 H ASP 33 H ASP 33 12.300 -2.980 -15.915 237 HA ASP 33 HA ASP 33 14.821 -3.011 -17.314 238 HB2 ASP 33 HB2 ASP 33 11.984 -2.462 -18.176 239 HB3 ASP 33 HB3 ASP 33 13.358 -2.467 -19.256 240 H GLY 34 H GLY 34 13.113 -0.780 -15.494 241 HA2 GLY 34 HA3 GLY 34 13.685 1.445 -15.105 242 HA3 GLY 34 HA2 GLY 34 14.685 1.419 -16.549 243 H ASP 35 H ASP 35 11.487 0.242 -16.880 244 HA ASP 35 HA ASP 35 10.854 2.223 -18.809 245 HB2 ASP 35 HB2 ASP 35 10.084 -0.106 -18.990 246 HB3 ASP 35 HB3 ASP 35 9.064 0.150 -17.586 247 H LYS 36 H LYS 36 8.999 1.323 -15.918 248 HA LYS 36 HA LYS 36 8.098 4.117 -15.759 249 HB2 LYS 36 HB2 LYS 36 6.768 1.524 -15.039 250 HB3 LYS 36 HB3 LYS 36 6.229 3.041 -14.330 251 HG2 LYS 36 HG2 LYS 36 5.336 3.789 -16.263 252 HG3 LYS 36 HG3 LYS 36 6.524 2.953 -17.258 253 HD2 LYS 36 HD2 LYS 36 4.356 1.933 -17.582 254 HD3 LYS 36 HD3 LYS 36 5.404 0.808 -16.717 255 HE2 LYS 36 HE2 LYS 36 3.235 0.758 -15.701 256 HE3 LYS 36 HE3 LYS 36 4.351 1.552 -14.592 257 HZ1 LYS 36 HZ1 LYS 36 2.460 2.954 -16.403 258 HZ2 LYS 36 HZ2 LYS 36 3.483 3.683 -15.279 259 HZ3 LYS 36 HZ3 LYS 36 2.210 2.698 -14.745 260 H VAL 37 H VAL 37 7.886 5.106 -13.772 261 HA VAL 37 HA VAL 37 9.102 3.780 -11.446 262 HB VAL 37 HB VAL 37 9.861 6.567 -12.383 263 HG11 VAL 37 HG21 VAL 37 9.643 6.436 -9.945 264 HG12 VAL 37 HG22 VAL 37 11.326 6.636 -10.435 265 HG13 VAL 37 HG23 VAL 37 10.740 5.053 -9.924 266 HG21 VAL 37 HG13 VAL 37 11.017 4.818 -13.629 267 HG22 VAL 37 HG11 VAL 37 11.518 4.055 -12.118 268 HG23 VAL 37 HG12 VAL 37 12.132 5.652 -12.547 269 H HIS 38 H HIS 38 7.684 3.865 -9.856 270 HA HIS 38 HA HIS 38 5.857 6.166 -9.661 271 HB2 HIS 38 HB3 HIS 38 4.919 3.876 -10.425 272 HB3 HIS 38 HB2 HIS 38 5.164 3.412 -8.745 273 HD1 HIS 38 HD1 HIS 38 2.951 5.400 -10.962 274 HD2 HIS 38 HD2 HIS 38 3.448 4.730 -6.891 275 HE1 HIS 38 HE1 HIS 38 0.870 6.286 -9.876 276 HE2 HIS 38 HE2 HIS 38 1.299 6.078 -7.406 277 H THR 39 H THR 39 6.324 7.299 -7.876 278 HA THR 39 HA THR 39 7.686 5.911 -5.679 279 HB THR 39 HB THR 39 7.408 8.892 -6.114 280 HG1 THR 39 HG1 THR 39 8.563 7.646 -7.810 281 HG21 THR 39 HG21 THR 39 9.404 7.323 -4.484 282 HG22 THR 39 HG22 THR 39 7.968 8.101 -3.817 283 HG23 THR 39 HG23 THR 39 9.236 9.077 -4.560 284 H VAL 40 H VAL 40 6.875 5.962 -3.562 285 HA VAL 40 HA VAL 40 4.206 7.188 -3.183 286 HB VAL 40 HB VAL 40 5.407 4.689 -2.006 287 HG11 VAL 40 HG21 VAL 40 3.268 4.517 -0.720 288 HG12 VAL 40 HG22 VAL 40 2.972 6.207 -1.134 289 HG13 VAL 40 HG23 VAL 40 4.379 5.768 -0.167 290 HG21 VAL 40 HG13 VAL 40 4.190 4.715 -4.257 291 HG22 VAL 40 HG11 VAL 40 2.729 4.983 -3.301 292 HG23 VAL 40 HG12 VAL 40 3.693 3.520 -3.054 293 H VAL 41 H VAL 41 4.076 8.787 -1.667 294 HA VAL 41 HA VAL 41 6.257 9.155 0.233 295 HB VAL 41 HB VAL 41 3.790 10.875 -0.085 296 HG11 VAL 41 HG21 VAL 41 6.432 11.354 1.301 297 HG12 VAL 41 HG22 VAL 41 4.858 11.155 2.068 298 HG13 VAL 41 HG23 VAL 41 5.182 12.578 1.078 299 HG21 VAL 41 HG13 VAL 41 5.019 10.873 -2.173 300 HG22 VAL 41 HG11 VAL 41 6.523 11.215 -1.316 301 HG23 VAL 41 HG12 VAL 41 5.234 12.419 -1.351 302 H LEU 42 H LEU 42 6.168 7.937 1.891 303 HA LEU 42 HA LEU 42 4.061 6.492 2.913 304 HB2 LEU 42 HB2 LEU 42 6.656 7.396 4.090 305 HB3 LEU 42 HB3 LEU 42 5.494 6.518 5.069 306 HG LEU 42 HG LEU 42 7.386 5.184 3.963 307 HD11 LEU 42 HD11 LEU 42 5.377 4.254 5.061 308 HD12 LEU 42 HD12 LEU 42 5.950 3.273 3.722 309 HD13 LEU 42 HD13 LEU 42 4.539 4.304 3.510 310 HD21 LEU 42 HD21 LEU 42 7.275 6.077 1.724 311 HD22 LEU 42 HD22 LEU 42 5.593 5.558 1.569 312 HD23 LEU 42 HD23 LEU 42 6.877 4.356 1.701 313 H SER 43 H SER 43 4.942 9.810 3.634 314 HA SER 43 HA SER 43 3.349 9.950 6.002 315 HB2 SER 43 HB3 SER 43 4.535 12.101 4.274 316 HB3 SER 43 HB2 SER 43 3.665 12.419 5.773 317 HG SER 43 HG SER 43 5.464 12.018 6.743 318 H THR 44 H THR 44 2.789 10.709 2.600 319 HA THR 44 HA THR 44 0.148 11.721 3.061 320 HB THR 44 HB THR 44 -0.180 11.559 0.646 321 HG1 THR 44 HG1 THR 44 2.052 9.865 0.829 322 HG21 THR 44 HG21 THR 44 1.658 12.994 -0.100 323 HG22 THR 44 HG22 THR 44 2.580 12.563 1.340 324 HG23 THR 44 HG23 THR 44 1.077 13.472 1.495 325 H ILE 45 H ILE 45 1.591 8.662 2.954 326 HA ILE 45 HA ILE 45 -0.695 7.101 2.324 327 HB ILE 45 HB ILE 45 1.892 6.413 3.694 328 HG12 ILE 45 HG13 ILE 45 2.128 7.116 1.363 329 HG13 ILE 45 HG12 ILE 45 2.484 5.411 1.546 330 HG21 ILE 45 HG21 ILE 45 1.332 4.096 3.367 331 HG22 ILE 45 HG22 ILE 45 -0.206 4.541 2.634 332 HG23 ILE 45 HG23 ILE 45 0.089 4.879 4.340 333 HD11 ILE 45 HD11 ILE 45 -0.010 6.635 0.387 334 HD12 ILE 45 HD12 ILE 45 0.170 4.915 0.732 335 HD13 ILE 45 HD13 ILE 45 1.222 5.689 -0.457 336 H ASP 46 H ASP 46 -2.406 6.946 3.556 337 HA ASP 46 HA ASP 46 -2.461 7.421 6.361 338 HB2 ASP 46 HB2 ASP 46 -4.408 7.903 5.082 339 HB3 ASP 46 HB3 ASP 46 -4.448 6.298 4.401 340 H LYS 47 H LYS 47 -2.711 4.476 4.352 341 HA LYS 47 HA LYS 47 -1.977 2.873 6.716 342 HB2 LYS 47 HB2 LYS 47 -4.094 2.072 4.695 343 HB3 LYS 47 HB3 LYS 47 -3.566 1.132 6.079 344 HG2 LYS 47 HG2 LYS 47 -4.935 3.802 6.292 345 HG3 LYS 47 HG3 LYS 47 -5.757 2.245 6.381 346 HD2 LYS 47 HD2 LYS 47 -4.254 1.657 8.291 347 HD3 LYS 47 HD3 LYS 47 -3.667 3.318 8.253 348 HE2 LYS 47 HE2 LYS 47 -6.521 2.460 8.699 349 HE3 LYS 47 HE3 LYS 47 -5.408 3.022 9.943 350 HZ1 LYS 47 HZ1 LYS 47 -5.319 5.168 8.873 351 HZ2 LYS 47 HZ2 LYS 47 -6.928 4.763 9.202 352 HZ3 LYS 47 HZ3 LYS 47 -6.330 4.638 7.624 353 H LEU 48 H LEU 48 -0.680 1.049 6.240 354 HA LEU 48 HA LEU 48 -0.300 0.507 3.374 355 HB2 LEU 48 HB2 LEU 48 1.862 0.968 4.129 356 HB3 LEU 48 HB3 LEU 48 1.580 0.175 5.675 357 HG LEU 48 HG LEU 48 1.424 -1.998 4.388 358 HD11 LEU 48 HD11 LEU 48 1.184 -0.706 2.177 359 HD12 LEU 48 HD12 LEU 48 2.173 -2.165 2.215 360 HD13 LEU 48 HD13 LEU 48 2.943 -0.581 2.257 361 HD21 LEU 48 HD21 LEU 48 3.683 -0.472 5.214 362 HD22 LEU 48 HD22 LEU 48 4.105 -1.483 3.833 363 HD23 LEU 48 HD23 LEU 48 3.418 -2.215 5.282 364 H GLN 49 H GLN 49 -0.496 -1.539 2.701 365 HA GLN 49 HA GLN 49 -1.653 -3.453 4.598 366 HB2 GLN 49 HB2 GLN 49 -2.498 -3.120 1.727 367 HB3 GLN 49 HB3 GLN 49 -3.245 -4.147 2.947 368 HG2 GLN 49 HG2 GLN 49 -3.679 -1.958 4.228 369 HG3 GLN 49 HG3 GLN 49 -3.347 -1.171 2.693 370 HE21 GLN 49 HE21 GLN 49 -4.946 -4.285 2.983 371 HE22 GLN 49 HE22 GLN 49 -6.486 -3.742 2.419 372 H ALA 50 H ALA 50 -1.307 -5.610 4.108 373 HA ALA 50 HA ALA 50 0.346 -6.461 1.923 374 HB1 ALA 50 HB1 ALA 50 2.248 -7.212 3.250 375 HB2 ALA 50 HB2 ALA 50 1.517 -6.556 4.714 376 HB3 ALA 50 HB3 ALA 50 2.051 -5.466 3.432 377 H THR 51 H THR 51 0.208 -8.688 1.671 378 HA THR 51 HA THR 51 -2.013 -10.067 2.570 379 HB THR 51 HB THR 51 -0.785 -12.146 1.925 380 HG1 THR 51 HG1 THR 51 1.299 -12.116 1.433 381 HG21 THR 51 HG21 THR 51 -0.393 -11.486 -0.452 382 HG22 THR 51 HG22 THR 51 -0.656 -9.811 0.039 383 HG23 THR 51 HG23 THR 51 -1.958 -10.991 0.200 384 HA PRO 52 HA PRO 52 -1.117 -10.954 6.838 385 HB2 PRO 52 HB3 PRO 52 -3.312 -12.492 7.213 386 HB3 PRO 52 HB2 PRO 52 -3.408 -10.734 7.081 387 HG2 PRO 52 HG3 PRO 52 -3.847 -12.810 4.968 388 HG3 PRO 52 HG2 PRO 52 -4.860 -11.436 5.393 389 HD2 PRO 52 HD2 PRO 52 -3.192 -11.344 3.326 390 HD3 PRO 52 HD3 PRO 52 -3.450 -9.927 4.349 391 H ALA 53 H ALA 53 -0.787 -12.903 8.157 392 HA ALA 53 HA ALA 53 0.703 -14.923 6.964 393 HB1 ALA 53 HB1 ALA 53 0.772 -14.416 9.359 394 HB2 ALA 53 HB2 ALA 53 0.487 -16.132 9.066 395 HB3 ALA 53 HB3 ALA 53 -0.849 -15.085 9.545 396 H SER 54 H SER 54 -2.742 -14.639 7.427 397 HA SER 54 HA SER 54 -3.452 -17.327 6.859 398 HB2 SER 54 HB3 SER 54 -5.063 -14.789 6.507 399 HB3 SER 54 HB2 SER 54 -5.712 -16.425 6.547 400 HG SER 54 HG SER 54 -4.700 -14.845 8.622 401 H SER 55 H SER 55 -2.601 -14.619 4.892 402 HA SER 55 HA SER 55 -3.757 -15.578 2.455 403 HB2 SER 55 HB3 SER 55 -3.267 -13.156 2.815 404 HB3 SER 55 HB2 SER 55 -1.555 -13.544 2.895 405 HG SER 55 HG SER 55 -3.247 -13.388 0.706 406 H GLU 56 H GLU 56 -2.866 -16.891 0.939 407 HA GLU 56 HA GLU 56 -0.275 -18.100 1.489 408 HB2 GLU 56 HB2 GLU 56 -2.013 -18.701 -0.859 409 HB3 GLU 56 HB3 GLU 56 -0.824 -19.737 -0.094 410 HG2 GLU 56 HG3 GLU 56 -2.664 -20.692 0.761 411 HG3 GLU 56 HG2 GLU 56 -2.484 -19.415 1.960 412 H LYS 57 H LYS 57 -1.286 -15.395 0.108 413 HA LYS 57 HA LYS 57 0.595 -15.454 -2.156 414 HB2 LYS 57 HB2 LYS 57 -1.443 -13.316 -1.723 415 HB3 LYS 57 HB3 LYS 57 -0.723 -13.857 -3.226 416 HG2 LYS 57 HG2 LYS 57 -2.719 -15.408 -1.596 417 HG3 LYS 57 HG3 LYS 57 -3.092 -14.476 -3.041 418 HD2 LYS 57 HD2 LYS 57 -1.276 -16.863 -2.858 419 HD3 LYS 57 HD3 LYS 57 -2.904 -16.857 -3.528 420 HE2 LYS 57 HE2 LYS 57 -2.153 -15.248 -5.241 421 HE3 LYS 57 HE3 LYS 57 -0.524 -15.346 -4.579 422 HZ1 LYS 57 HZ1 LYS 57 -0.778 -16.769 -6.507 423 HZ2 LYS 57 HZ2 LYS 57 -2.041 -17.605 -5.759 424 HZ3 LYS 57 HZ3 LYS 57 -0.477 -17.696 -5.125 425 H MET 58 H MET 58 1.365 -13.090 -2.601 426 HA MET 58 HA MET 58 2.220 -11.847 -0.082 427 HB2 MET 58 HB3 MET 58 4.347 -11.745 -2.007 428 HB3 MET 58 HB2 MET 58 4.375 -12.437 -0.400 429 HG2 MET 58 HG3 MET 58 3.233 -13.971 -2.694 430 HG3 MET 58 HG2 MET 58 4.962 -13.937 -2.411 431 HE1 MET 58 HE1 MET 58 4.023 -17.498 -1.132 432 HE2 MET 58 HE2 MET 58 5.107 -16.559 -2.157 433 HE3 MET 58 HE3 MET 58 3.388 -16.640 -2.537 434 H MET 59 H MET 59 1.460 -9.815 -0.268 435 HA MET 59 HA MET 59 2.032 -8.245 -2.601 436 HB2 MET 59 HB3 MET 59 -0.776 -9.154 -2.064 437 HB3 MET 59 HB2 MET 59 -0.466 -7.633 -2.878 438 HG2 MET 59 HG3 MET 59 0.751 -8.836 -4.620 439 HG3 MET 59 HG2 MET 59 0.430 -10.352 -3.803 440 HE1 MET 59 HE1 MET 59 -1.725 -11.768 -4.187 441 HE2 MET 59 HE2 MET 59 -3.296 -10.985 -4.363 442 HE3 MET 59 HE3 MET 59 -2.287 -10.640 -2.959 443 H LEU 60 H LEU 60 2.080 -6.108 -2.173 444 HA LEU 60 HA LEU 60 1.133 -5.221 0.493 445 HB2 LEU 60 HB2 LEU 60 3.466 -4.567 -1.147 446 HB3 LEU 60 HB3 LEU 60 2.639 -3.161 -0.518 447 HG LEU 60 HG LEU 60 2.835 -4.396 1.769 448 HD11 LEU 60 HD11 LEU 60 3.675 -6.513 0.913 449 HD12 LEU 60 HD12 LEU 60 4.870 -5.722 1.953 450 HD13 LEU 60 HD13 LEU 60 5.061 -5.679 0.197 451 HD21 LEU 60 HD21 LEU 60 5.044 -3.372 2.076 452 HD22 LEU 60 HD22 LEU 60 3.896 -2.307 1.265 453 HD23 LEU 60 HD23 LEU 60 5.147 -3.133 0.334 454 H ARG 61 H ARG 61 0.128 -3.112 0.623 455 HA ARG 61 HA ARG 61 -0.360 -1.629 -1.770 456 HB2 ARG 61 HB2 ARG 61 -2.313 -3.141 -1.759 457 HB3 ARG 61 HB3 ARG 61 -2.775 -2.492 -0.190 458 HG2 ARG 61 HG2 ARG 61 -3.123 -0.319 -1.103 459 HG3 ARG 61 HG3 ARG 61 -2.418 -0.792 -2.645 460 HD2 ARG 61 HD2 ARG 61 -4.390 -2.586 -2.501 461 HD3 ARG 61 HD3 ARG 61 -5.117 -1.295 -1.549 462 HE ARG 61 HE ARG 61 -4.046 -0.209 -3.911 463 HH11 ARG 61 HH11 ARG 61 -6.701 -2.253 -2.870 464 HH12 ARG 61 HH12 ARG 61 -7.704 -1.829 -4.230 465 HH21 ARG 61 HH21 ARG 61 -5.358 0.330 -5.683 466 HH22 ARG 61 HH22 ARG 61 -6.943 -0.359 -5.823 467 H LEU 62 H LEU 62 0.217 0.334 -1.308 468 HA LEU 62 HA LEU 62 0.034 1.335 1.432 469 HB2 LEU 62 HB2 LEU 62 1.599 2.011 -1.009 470 HB3 LEU 62 HB3 LEU 62 1.308 3.298 0.135 471 HG LEU 62 HG LEU 62 2.417 0.664 1.046 472 HD11 LEU 62 HD11 LEU 62 4.665 1.466 0.805 473 HD12 LEU 62 HD12 LEU 62 4.086 2.993 0.128 474 HD13 LEU 62 HD13 LEU 62 3.868 1.493 -0.774 475 HD21 LEU 62 HD21 LEU 62 2.736 3.455 2.102 476 HD22 LEU 62 HD22 LEU 62 3.311 1.967 2.854 477 HD23 LEU 62 HD23 LEU 62 1.580 2.267 2.699 478 H ILE 63 H ILE 63 -1.797 2.309 1.968 479 HA ILE 63 HA ILE 63 -3.568 3.494 0.001 480 HB ILE 63 HB ILE 63 -4.046 3.632 2.949 481 HG12 ILE 63 HG13 ILE 63 -3.237 1.347 2.599 482 HG13 ILE 63 HG12 ILE 63 -4.958 1.362 2.983 483 HG21 ILE 63 HG21 ILE 63 -5.627 4.642 1.344 484 HG22 ILE 63 HG22 ILE 63 -6.357 3.385 2.341 485 HG23 ILE 63 HG23 ILE 63 -5.922 3.039 0.669 486 HD11 ILE 63 HD11 ILE 63 -4.481 -0.230 1.254 487 HD12 ILE 63 HD12 ILE 63 -3.739 1.026 0.266 488 HD13 ILE 63 HD13 ILE 63 -5.465 1.084 0.615 489 H GLY 64 H GLY 64 -3.610 5.653 -0.421 490 HA2 GLY 64 HA3 GLY 64 -2.112 7.457 1.304 491 HA3 GLY 64 HA2 GLY 64 -2.837 7.864 -0.239 492 H LYS 65 H LYS 65 -3.032 9.309 2.296 493 HA LYS 65 HA LYS 65 -5.510 8.904 3.543 494 HB2 LYS 65 HB2 LYS 65 -3.691 11.252 3.261 495 HB3 LYS 65 HB3 LYS 65 -5.326 11.525 3.839 496 HG2 LYS 65 HG2 LYS 65 -4.161 11.273 5.797 497 HG3 LYS 65 HG3 LYS 65 -4.771 9.656 5.543 498 HD2 LYS 65 HD2 LYS 65 -2.683 8.842 4.977 499 HD3 LYS 65 HD3 LYS 65 -2.067 10.426 4.543 500 HE2 LYS 65 HE2 LYS 65 -2.199 11.076 6.929 501 HE3 LYS 65 HE3 LYS 65 -2.709 9.439 7.319 502 HZ1 LYS 65 HZ1 LYS 65 -0.577 8.646 6.413 503 HZ2 LYS 65 HZ2 LYS 65 -0.375 9.689 7.732 504 HZ3 LYS 65 HZ3 LYS 65 -0.096 10.252 6.162 505 H VAL 66 H VAL 66 -7.537 9.453 3.059 506 HA VAL 66 HA VAL 66 -8.188 10.180 0.379 507 HB VAL 66 HB VAL 66 -9.613 8.684 1.675 508 HG11 VAL 66 HG21 VAL 66 -10.225 11.093 3.375 509 HG12 VAL 66 HG22 VAL 66 -9.361 9.641 3.882 510 HG13 VAL 66 HG23 VAL 66 -11.070 9.548 3.458 511 HG21 VAL 66 HG13 VAL 66 -10.624 9.885 -0.171 512 HG22 VAL 66 HG11 VAL 66 -11.032 11.223 0.903 513 HG23 VAL 66 HG12 VAL 66 -11.793 9.648 1.126 514 H ASP 67 H ASP 67 -9.522 12.023 -0.179 515 HA ASP 67 HA ASP 67 -8.254 14.416 0.487 516 HB2 ASP 67 HB2 ASP 67 -9.469 14.016 -1.647 517 HB3 ASP 67 HB3 ASP 67 -10.989 14.112 -0.763 518 H GLU 68 H GLU 68 -8.773 16.083 1.723 519 HA GLU 68 HA GLU 68 -9.807 15.571 4.233 520 HB2 GLU 68 HB2 GLU 68 -9.248 18.162 2.845 521 HB3 GLU 68 HB3 GLU 68 -9.749 18.082 4.519 522 HG2 GLU 68 HG3 GLU 68 -7.373 18.334 4.362 523 HG3 GLU 68 HG2 GLU 68 -7.758 16.752 5.032 524 H SER 69 H SER 69 -11.583 16.416 1.405 525 HA SER 69 HA SER 69 -13.808 17.492 2.925 526 HB2 SER 69 HB3 SER 69 -14.936 17.680 0.729 527 HB3 SER 69 HB2 SER 69 -13.372 18.489 0.775 528 HG SER 69 HG SER 69 -12.472 16.790 -0.385 529 H LYS 70 H LYS 70 -12.668 14.460 2.197 530 HA LYS 70 HA LYS 70 -13.476 12.405 1.839 531 HB2 LYS 70 HB2 LYS 70 -15.197 13.437 4.023 532 HB3 LYS 70 HB3 LYS 70 -15.222 11.753 3.532 533 HG2 LYS 70 HG2 LYS 70 -13.753 11.826 5.325 534 HG3 LYS 70 HG3 LYS 70 -12.699 11.801 3.928 535 HD2 LYS 70 HD2 LYS 70 -12.365 14.180 4.107 536 HD3 LYS 70 HD3 LYS 70 -13.521 14.276 5.431 537 HE2 LYS 70 HE2 LYS 70 -10.937 12.726 5.489 538 HE3 LYS 70 HE3 LYS 70 -11.174 14.322 6.197 539 HZ1 LYS 70 HZ1 LYS 70 -12.941 13.319 7.596 540 HZ2 LYS 70 HZ2 LYS 70 -11.401 12.698 7.907 541 HZ3 LYS 70 HZ3 LYS 70 -12.509 11.796 7.005 542 H LYS 71 H LYS 71 -16.713 13.499 2.643 543 HA LYS 71 HA LYS 71 -17.856 12.038 0.589 544 HB2 LYS 71 HB2 LYS 71 -19.953 13.072 1.160 545 HB3 LYS 71 HB3 LYS 71 -19.074 12.604 2.603 546 HG2 LYS 71 HG2 LYS 71 -18.434 14.840 3.038 547 HG3 LYS 71 HG3 LYS 71 -19.070 15.360 1.481 548 HD2 LYS 71 HD2 LYS 71 -20.766 14.075 3.580 549 HD3 LYS 71 HD3 LYS 71 -20.540 15.825 3.498 550 HE2 LYS 71 HE2 LYS 71 -21.395 15.734 1.157 551 HE3 LYS 71 HE3 LYS 71 -21.738 14.024 1.404 552 HZ1 LYS 71 HZ1 LYS 71 -22.941 16.291 2.888 553 HZ2 LYS 71 HZ2 LYS 71 -23.211 14.661 3.245 554 HZ3 LYS 71 HZ3 LYS 71 -23.723 15.295 1.759 555 H ARG 72 H ARG 72 -18.621 12.497 -1.348 556 HA ARG 72 HA ARG 72 -18.185 15.195 -2.442 557 HB2 ARG 72 HB2 ARG 72 -17.100 14.400 -4.326 558 HB3 ARG 72 HB3 ARG 72 -16.476 13.303 -3.112 559 HG2 ARG 72 HG2 ARG 72 -17.987 11.594 -3.831 560 HG3 ARG 72 HG3 ARG 72 -18.779 12.688 -4.948 561 HD2 ARG 72 HD2 ARG 72 -16.574 12.935 -6.067 562 HD3 ARG 72 HD3 ARG 72 -15.967 11.637 -5.060 563 HE ARG 72 HE ARG 72 -17.478 10.142 -6.157 564 HH11 ARG 72 HH11 ARG 72 -17.183 13.302 -7.640 565 HH12 ARG 72 HH12 ARG 72 -17.828 12.786 -9.166 566 HH21 ARG 72 HH21 ARG 72 -18.305 9.461 -8.178 567 HH22 ARG 72 HH22 ARG 72 -18.456 10.608 -9.473 568 H LYS 73 H LYS 73 -19.391 15.264 -4.644 569 HA LYS 73 HA LYS 73 -21.770 13.649 -4.687 570 HB2 LYS 73 HB2 LYS 73 -22.938 16.051 -5.159 571 HB3 LYS 73 HB3 LYS 73 -23.017 15.177 -3.639 572 HG2 LYS 73 HG2 LYS 73 -22.430 17.358 -3.082 573 HG3 LYS 73 HG3 LYS 73 -20.940 16.439 -2.959 574 HD2 LYS 73 HD2 LYS 73 -20.780 17.220 -5.510 575 HD3 LYS 73 HD3 LYS 73 -21.711 18.567 -4.855 576 HE2 LYS 73 HE2 LYS 73 -20.032 18.996 -3.196 577 HE3 LYS 73 HE3 LYS 73 -19.149 17.541 -3.663 578 HZ1 LYS 73 HZ1 LYS 73 -19.574 19.925 -5.392 579 HZ2 LYS 73 HZ2 LYS 73 -18.693 18.543 -5.805 580 HZ3 LYS 73 HZ3 LYS 73 -18.143 19.553 -4.570 581 H ASP 74 H ASP 74 -22.379 13.168 -6.668 582 HA ASP 74 HA ASP 74 -20.785 14.082 -8.873 583 HB2 ASP 74 HB2 ASP 74 -21.343 11.792 -8.919 584 HB3 ASP 74 HB3 ASP 74 -23.015 12.099 -8.467 585 H ASN 75 H ASN 75 -22.329 14.506 -10.966 586 HA ASN 75 HA ASN 75 -22.743 17.223 -10.660 587 HB2 ASN 75 HB2 ASN 75 -23.777 15.461 -12.876 588 HB3 ASN 75 HB3 ASN 75 -23.576 17.207 -12.948 589 HD21 ASN 75 HD21 ASN 75 -21.978 14.135 -12.994 590 HD22 ASN 75 HD22 ASN 75 -20.413 14.721 -13.444 591 H GLU 76 H GLU 76 -24.991 14.771 -9.887 592 HA GLU 76 HA GLU 76 -27.333 16.440 -10.338 593 HB2 GLU 76 HB2 GLU 76 -27.366 13.979 -10.742 594 HB3 GLU 76 HB3 GLU 76 -27.086 13.728 -9.026 595 HG2 GLU 76 HG3 GLU 76 -29.206 14.978 -8.597 596 HG3 GLU 76 HG2 GLU 76 -29.498 14.937 -10.333 597 H GLY 77 H GLY 77 -25.010 15.799 -7.966 598 HA2 GLY 77 HA3 GLY 77 -24.772 16.770 -5.832 599 HA3 GLY 77 HA2 GLY 77 -26.442 17.353 -5.938 600 H ASN 78 H ASN 78 -25.646 14.195 -6.799 601 HA ASN 78 HA ASN 78 -27.640 13.029 -5.160 602 HB2 ASN 78 HB2 ASN 78 -26.535 10.912 -6.208 603 HB3 ASN 78 HB3 ASN 78 -27.358 12.060 -7.262 604 HD21 ASN 78 HD21 ASN 78 -26.334 11.915 -9.045 605 HD22 ASN 78 HD22 ASN 78 -24.662 12.227 -9.260 606 H GLU 79 H GLU 79 -24.170 13.179 -5.041 607 HA GLU 79 HA GLU 79 -22.829 13.214 -3.185 608 HB2 GLU 79 HB2 GLU 79 -25.133 12.040 -1.698 609 HB3 GLU 79 HB3 GLU 79 -23.595 12.458 -0.970 610 HG2 GLU 79 HG3 GLU 79 -23.985 14.804 -1.677 611 HG3 GLU 79 HG2 GLU 79 -25.579 14.312 -2.247 612 H VAL 80 H VAL 80 -21.187 11.947 -3.271 613 HA VAL 80 HA VAL 80 -21.586 9.030 -3.231 614 HB VAL 80 HB VAL 80 -19.298 10.223 -4.742 615 HG11 VAL 80 HG21 VAL 80 -19.272 7.853 -4.291 616 HG12 VAL 80 HG22 VAL 80 -19.485 8.123 -6.021 617 HG13 VAL 80 HG23 VAL 80 -20.864 7.661 -5.022 618 HG21 VAL 80 HG13 VAL 80 -22.043 9.792 -5.939 619 HG22 VAL 80 HG11 VAL 80 -20.574 10.155 -6.846 620 HG23 VAL 80 HG12 VAL 80 -21.233 11.344 -5.721 621 H VAL 81 H VAL 81 -19.927 7.939 -2.125 622 HA VAL 81 HA VAL 81 -18.099 9.725 -0.692 623 HB VAL 81 HB VAL 81 -19.537 7.274 0.288 624 HG11 VAL 81 HG21 VAL 81 -18.274 7.484 2.394 625 HG12 VAL 81 HG22 VAL 81 -17.284 8.748 1.663 626 HG13 VAL 81 HG23 VAL 81 -17.215 7.100 1.037 627 HG21 VAL 81 HG13 VAL 81 -19.432 10.107 1.299 628 HG22 VAL 81 HG11 VAL 81 -20.317 8.783 2.058 629 HG23 VAL 81 HG12 VAL 81 -20.777 9.344 0.451 630 HA PRO 82 HA PRO 82 -15.337 7.107 -3.091 631 HB2 PRO 82 HB3 PRO 82 -13.430 8.940 -3.353 632 HB3 PRO 82 HB2 PRO 82 -14.902 9.000 -4.320 633 HG2 PRO 82 HG3 PRO 82 -14.185 10.526 -1.868 634 HG3 PRO 82 HG2 PRO 82 -14.964 11.106 -3.337 635 HD2 PRO 82 HD2 PRO 82 -16.283 10.494 -1.048 636 HD3 PRO 82 HD3 PRO 82 -16.997 10.392 -2.663 637 H LYS 83 H LYS 83 -14.038 5.673 -2.207 638 HA LYS 83 HA LYS 83 -12.951 6.063 0.427 639 HB2 LYS 83 HB2 LYS 83 -12.722 3.802 -1.564 640 HB3 LYS 83 HB3 LYS 83 -12.011 3.762 0.044 641 HG2 LYS 83 HG2 LYS 83 -14.187 3.933 1.063 642 HG3 LYS 83 HG3 LYS 83 -14.945 4.126 -0.517 643 HD2 LYS 83 HD2 LYS 83 -13.397 1.689 0.349 644 HD3 LYS 83 HD3 LYS 83 -15.153 1.836 0.426 645 HE2 LYS 83 HE2 LYS 83 -15.162 2.258 -2.026 646 HE3 LYS 83 HE3 LYS 83 -13.430 1.933 -2.046 647 HZ1 LYS 83 HZ1 LYS 83 -15.546 0.026 -1.214 648 HZ2 LYS 83 HZ2 LYS 83 -13.884 -0.289 -1.201 649 HZ3 LYS 83 HZ3 LYS 83 -14.680 -0.021 -2.666 650 HA PRO 84 HA PRO 84 -9.000 7.744 -0.338 651 HB2 PRO 84 HB3 PRO 84 -7.738 5.471 1.051 652 HB3 PRO 84 HB2 PRO 84 -7.680 7.195 1.423 653 HG2 PRO 84 HG3 PRO 84 -9.130 5.372 2.842 654 HG3 PRO 84 HG2 PRO 84 -9.508 7.098 2.755 655 HD2 PRO 84 HD2 PRO 84 -10.907 4.819 1.551 656 HD3 PRO 84 HD3 PRO 84 -11.485 6.465 1.856 657 H GLN 85 H GLN 85 -7.474 7.650 -1.906 658 HA GLN 85 HA GLN 85 -7.374 5.333 -3.605 659 HB2 GLN 85 HB2 GLN 85 -6.295 6.652 -5.170 660 HB3 GLN 85 HB3 GLN 85 -7.262 7.844 -4.316 661 HG2 GLN 85 HG2 GLN 85 -4.359 7.264 -3.855 662 HG3 GLN 85 HG3 GLN 85 -5.008 8.642 -4.740 663 HE21 GLN 85 HE21 GLN 85 -3.325 8.490 -2.360 664 HE22 GLN 85 HE22 GLN 85 -4.160 9.353 -1.125 665 H ARG 86 H ARG 86 -5.309 4.371 -4.215 666 HA ARG 86 HA ARG 86 -3.406 4.206 -2.082 667 HB2 ARG 86 HB2 ARG 86 -4.064 1.739 -1.654 668 HB3 ARG 86 HB3 ARG 86 -5.036 3.016 -0.934 669 HG2 ARG 86 HG2 ARG 86 -6.529 2.831 -2.961 670 HG3 ARG 86 HG3 ARG 86 -5.703 1.321 -3.304 671 HD2 ARG 86 HD2 ARG 86 -6.498 0.362 -1.337 672 HD3 ARG 86 HD3 ARG 86 -6.986 1.905 -0.658 673 HE ARG 86 HE ARG 86 -8.538 1.859 -2.765 674 HH11 ARG 86 HH11 ARG 86 -7.826 -0.824 -0.611 675 HH12 ARG 86 HH12 ARG 86 -9.368 -1.581 -0.860 676 HH21 ARG 86 HH21 ARG 86 -10.537 0.872 -3.083 677 HH22 ARG 86 HH22 ARG 86 -10.914 -0.608 -2.258 678 H HIS 87 H HIS 87 -1.813 2.473 -2.423 679 HA HIS 87 HA HIS 87 -1.384 2.071 -5.318 680 HB2 HIS 87 HB3 HIS 87 0.755 2.541 -3.232 681 HB3 HIS 87 HB2 HIS 87 0.934 2.622 -4.973 682 HD1 HIS 87 HD1 HIS 87 -0.834 4.634 -6.007 683 HD2 HIS 87 HD2 HIS 87 0.637 4.987 -2.142 684 HE1 HIS 87 HE1 HIS 87 -1.144 7.048 -5.385 685 HE2 HIS 87 HE2 HIS 87 -0.088 7.271 -3.114 686 H MET 88 H MET 88 -1.500 -0.078 -5.740 687 HA MET 88 HA MET 88 -0.635 -1.959 -3.643 688 HB2 MET 88 HB3 MET 88 -2.989 -2.195 -4.335 689 HB3 MET 88 HB2 MET 88 -2.471 -2.444 -5.997 690 HG2 MET 88 HG3 MET 88 -1.205 -4.454 -5.211 691 HG3 MET 88 HG2 MET 88 -1.962 -4.239 -3.638 692 HE1 MET 88 HE1 MET 88 -4.538 -4.462 -3.187 693 HE2 MET 88 HE2 MET 88 -5.734 -4.890 -4.410 694 HE3 MET 88 HE3 MET 88 -4.951 -3.310 -4.457 695 H PHE 89 H PHE 89 1.199 -3.112 -3.961 696 HA PHE 89 HA PHE 89 2.011 -3.487 -6.762 697 HB2 PHE 89 HB3 PHE 89 3.760 -3.413 -4.296 698 HB3 PHE 89 HB2 PHE 89 4.313 -3.613 -5.956 699 HD1 PHE 89 HD1 PHE 89 2.669 -1.256 -3.639 700 HD2 PHE 89 HD2 PHE 89 4.696 -1.755 -7.333 701 HE1 PHE 89 HE1 PHE 89 2.846 1.195 -3.870 702 HE2 PHE 89 HE2 PHE 89 4.861 0.685 -7.580 703 HZ PHE 89 HZ PHE 89 3.937 2.164 -5.845 704 H SER 90 H SER 90 2.586 -5.582 -7.381 705 HA SER 90 HA SER 90 1.657 -7.636 -5.534 706 HB2 SER 90 HB3 SER 90 2.244 -7.921 -8.472 707 HB3 SER 90 HB2 SER 90 1.396 -9.070 -7.458 708 HG SER 90 HG SER 90 0.242 -7.351 -8.880 709 H PHE 91 H PHE 91 3.035 -8.903 -4.521 710 HA PHE 91 HA PHE 91 5.838 -8.872 -5.410 711 HB2 PHE 91 HB3 PHE 91 4.670 -9.413 -2.664 712 HB3 PHE 91 HB2 PHE 91 6.387 -9.368 -3.047 713 HD1 PHE 91 HD1 PHE 91 3.346 -7.206 -3.360 714 HD2 PHE 91 HD2 PHE 91 7.516 -7.416 -2.667 715 HE1 PHE 91 HE1 PHE 91 3.407 -4.785 -2.886 716 HE2 PHE 91 HE2 PHE 91 7.573 -5.019 -2.209 717 HZ PHE 91 HZ PHE 91 5.403 -3.671 -2.458 718 H ASN 92 H ASN 92 7.085 -10.865 -5.083 719 HA ASN 92 HA ASN 92 5.373 -13.201 -5.629 720 HB2 ASN 92 HB2 ASN 92 8.068 -12.427 -6.730 721 HB3 ASN 92 HB3 ASN 92 7.421 -14.057 -6.883 722 HD21 ASN 92 HD21 ASN 92 8.059 -12.021 -8.921 723 HD22 ASN 92 HD22 ASN 92 6.598 -11.810 -9.824 724 H ASN 93 H ASN 93 7.420 -11.894 -3.378 725 HA ASN 93 HA ASN 93 8.036 -14.567 -2.314 726 HB2 ASN 93 HB2 ASN 93 10.050 -13.402 -3.261 727 HB3 ASN 93 HB3 ASN 93 9.813 -12.135 -2.066 728 HD21 ASN 93 HD21 ASN 93 12.075 -13.916 -2.449 729 HD22 ASN 93 HD22 ASN 93 12.285 -14.758 -0.953 730 H ARG 94 H ARG 94 7.201 -14.916 -0.422 731 HA ARG 94 HA ARG 94 5.605 -13.148 1.013 732 HB2 ARG 94 HB2 ARG 94 5.358 -15.525 1.256 733 HB3 ARG 94 HB3 ARG 94 6.998 -15.685 1.844 734 HG2 ARG 94 HG2 ARG 94 5.512 -15.904 3.685 735 HG3 ARG 94 HG3 ARG 94 6.359 -14.359 3.834 736 HD2 ARG 94 HD2 ARG 94 4.456 -13.229 2.843 737 HD3 ARG 94 HD3 ARG 94 3.609 -14.761 2.707 738 HE ARG 94 HE ARG 94 4.122 -14.671 5.328 739 HH11 ARG 94 HH11 ARG 94 2.864 -12.262 3.152 740 HH12 ARG 94 HH12 ARG 94 1.850 -11.511 4.341 741 HH21 ARG 94 HH21 ARG 94 2.810 -13.685 6.924 742 HH22 ARG 94 HH22 ARG 94 1.837 -12.313 6.505 743 H THR 95 H THR 95 8.999 -13.892 1.288 744 HA THR 95 HA THR 95 9.353 -12.650 3.834 745 HB THR 95 HB THR 95 11.389 -13.462 1.754 746 HG1 THR 95 HG1 THR 95 10.126 -14.796 3.911 747 HG21 THR 95 HG21 THR 95 12.237 -11.794 3.328 748 HG22 THR 95 HG22 THR 95 13.000 -13.367 3.580 749 HG23 THR 95 HG23 THR 95 11.735 -12.811 4.678 750 H VAL 96 H VAL 96 10.506 -11.799 0.573 751 HA VAL 96 HA VAL 96 11.464 -9.284 0.920 752 HB VAL 96 HB VAL 96 9.660 -10.177 -1.349 753 HG11 VAL 96 HG21 VAL 96 10.747 -8.406 -2.652 754 HG12 VAL 96 HG22 VAL 96 11.641 -7.895 -1.220 755 HG13 VAL 96 HG23 VAL 96 9.885 -7.746 -1.261 756 HG21 VAL 96 HG13 VAL 96 11.742 -10.693 -2.523 757 HG22 VAL 96 HG11 VAL 96 11.636 -11.610 -1.020 758 HG23 VAL 96 HG12 VAL 96 12.679 -10.192 -1.115 759 H MET 97 H MET 97 8.036 -10.038 0.226 760 HA MET 97 HA MET 97 7.236 -7.334 0.478 761 HB2 MET 97 HB3 MET 97 5.025 -8.110 0.195 762 HB3 MET 97 HB2 MET 97 6.055 -9.159 -0.773 763 HG2 MET 97 HG3 MET 97 5.092 -10.883 0.188 764 HG3 MET 97 HG2 MET 97 5.841 -10.419 1.714 765 HE1 MET 97 HE1 MET 97 3.005 -9.073 3.792 766 HE2 MET 97 HE2 MET 97 4.478 -8.314 3.188 767 HE3 MET 97 HE3 MET 97 4.513 -9.986 3.745 768 H ASP 98 H ASP 98 7.644 -9.926 2.789 769 HA ASP 98 HA ASP 98 6.171 -8.699 4.907 770 HB2 ASP 98 HB2 ASP 98 6.734 -11.088 4.953 771 HB3 ASP 98 HB3 ASP 98 8.450 -10.697 4.991 772 H ASN 99 H ASN 99 9.348 -8.458 3.611 773 HA ASN 99 HA ASN 99 10.490 -6.902 5.748 774 HB2 ASN 99 HB2 ASN 99 11.373 -7.504 2.913 775 HB3 ASN 99 HB3 ASN 99 12.338 -6.565 4.041 776 HD21 ASN 99 HD21 ASN 99 12.601 -9.256 2.662 777 HD22 ASN 99 HD22 ASN 99 13.053 -10.320 3.943 778 H ILE 100 H ILE 100 9.334 -6.320 2.476 779 HA ILE 100 HA ILE 100 9.736 -3.559 2.330 780 HB ILE 100 HB ILE 100 7.622 -5.303 1.049 781 HG12 ILE 100 HG13 ILE 100 9.956 -5.814 0.452 782 HG13 ILE 100 HG12 ILE 100 9.061 -5.168 -0.922 783 HG21 ILE 100 HG21 ILE 100 8.420 -2.544 0.170 784 HG22 ILE 100 HG22 ILE 100 7.018 -2.855 1.185 785 HG23 ILE 100 HG23 ILE 100 7.099 -3.534 -0.443 786 HD11 ILE 100 HD11 ILE 100 10.037 -2.932 -0.375 787 HD12 ILE 100 HD12 ILE 100 11.189 -4.150 -0.930 788 HD13 ILE 100 HD13 ILE 100 11.082 -3.757 0.786 789 H LYS 101 H LYS 101 6.816 -5.373 3.261 790 HA LYS 101 HA LYS 101 5.228 -3.198 3.947 791 HB2 LYS 101 HB2 LYS 101 4.077 -5.215 3.829 792 HB3 LYS 101 HB3 LYS 101 5.277 -6.082 4.790 793 HG2 LYS 101 HG2 LYS 101 4.296 -4.236 6.563 794 HG3 LYS 101 HG3 LYS 101 2.874 -4.646 5.607 795 HD2 LYS 101 HD2 LYS 101 2.879 -6.188 7.391 796 HD3 LYS 101 HD3 LYS 101 3.506 -7.085 6.008 797 HE2 LYS 101 HE2 LYS 101 5.805 -6.656 6.811 798 HE3 LYS 101 HE3 LYS 101 5.137 -5.827 8.213 799 HZ1 LYS 101 HZ1 LYS 101 5.698 -8.053 8.811 800 HZ2 LYS 101 HZ2 LYS 101 4.814 -8.693 7.527 801 HZ3 LYS 101 HZ3 LYS 101 4.012 -7.931 8.805 802 H MET 102 H MET 102 7.409 -5.143 6.023 803 HA MET 102 HA MET 102 6.760 -3.750 8.397 804 HB2 MET 102 HB3 MET 102 8.465 -4.992 9.456 805 HB3 MET 102 HB2 MET 102 7.817 -6.050 8.214 806 HG2 MET 102 HG3 MET 102 10.047 -6.404 7.972 807 HG3 MET 102 HG2 MET 102 9.781 -5.135 6.787 808 HE1 MET 102 HE1 MET 102 11.082 -6.038 10.321 809 HE2 MET 102 HE2 MET 102 9.950 -4.747 10.721 810 HE3 MET 102 HE3 MET 102 11.681 -4.496 10.930 811 H THR 103 H THR 103 8.969 -3.102 5.824 812 HA THR 103 HA THR 103 10.597 -1.178 7.093 813 HB THR 103 HB THR 103 9.761 -1.521 4.209 814 HG1 THR 103 HG1 THR 103 11.099 -3.189 4.941 815 HG21 THR 103 HG21 THR 103 10.353 0.789 4.576 816 HG22 THR 103 HG22 THR 103 11.602 -0.038 3.630 817 HG23 THR 103 HG23 THR 103 11.868 0.298 5.343 818 H LEU 104 H LEU 104 7.673 -0.935 5.132 819 HA LEU 104 HA LEU 104 7.514 1.891 5.292 820 HB2 LEU 104 HB2 LEU 104 5.366 -0.111 4.595 821 HB3 LEU 104 HB3 LEU 104 5.322 1.601 4.256 822 HG LEU 104 HG LEU 104 7.536 -0.031 3.105 823 HD11 LEU 104 HD11 LEU 104 4.723 0.055 2.088 824 HD12 LEU 104 HD12 LEU 104 5.650 -1.370 2.554 825 HD13 LEU 104 HD13 LEU 104 6.112 -0.444 1.126 826 HD21 LEU 104 HD21 LEU 104 7.349 1.564 1.308 827 HD22 LEU 104 HD22 LEU 104 7.527 2.392 2.854 828 HD23 LEU 104 HD23 LEU 104 5.939 2.282 2.089 829 H GLN 105 H GLN 105 5.456 -0.631 6.674 830 HA GLN 105 HA GLN 105 3.799 0.718 8.295 831 HB2 GLN 105 HB2 GLN 105 5.287 -1.733 9.150 832 HB3 GLN 105 HB3 GLN 105 3.777 -1.149 9.835 833 HG2 GLN 105 HG2 GLN 105 4.137 -1.925 6.968 834 HG3 GLN 105 HG3 GLN 105 3.561 -2.990 8.219 835 HE21 GLN 105 HE21 GLN 105 1.698 -3.277 6.965 836 HE22 GLN 105 HE22 GLN 105 0.435 -2.101 6.955 837 H GLN 106 H GLN 106 7.230 0.221 8.937 838 HA GLN 106 HA GLN 106 7.210 1.009 11.652 839 HB2 GLN 106 HB2 GLN 106 9.235 0.652 9.532 840 HB3 GLN 106 HB3 GLN 106 9.691 1.572 10.938 841 HG2 GLN 106 HG2 GLN 106 9.072 -0.348 12.356 842 HG3 GLN 106 HG3 GLN 106 8.711 -1.264 10.891 843 HE21 GLN 106 HE21 GLN 106 10.391 -1.922 9.554 844 HE22 GLN 106 HE22 GLN 106 12.041 -1.923 10.084 845 H ILE 107 H ILE 107 7.440 2.601 8.625 846 HA ILE 107 HA ILE 107 8.061 5.228 9.626 847 HB ILE 107 HB ILE 107 6.980 4.314 6.941 848 HG12 ILE 107 HG13 ILE 107 9.853 4.973 7.517 849 HG13 ILE 107 HG12 ILE 107 9.232 3.346 7.736 850 HG21 ILE 107 HG21 ILE 107 8.297 6.895 7.743 851 HG22 ILE 107 HG22 ILE 107 6.600 6.650 7.311 852 HG23 ILE 107 HG23 ILE 107 7.860 6.434 6.097 853 HD11 ILE 107 HD11 ILE 107 8.527 3.403 5.342 854 HD12 ILE 107 HD12 ILE 107 10.265 3.463 5.606 855 HD13 ILE 107 HD13 ILE 107 9.386 4.934 5.191 856 H ILE 108 H ILE 108 5.253 3.458 8.460 857 HA ILE 108 HA ILE 108 3.472 5.653 8.407 858 HB ILE 108 HB ILE 108 2.630 2.793 8.821 859 HG12 ILE 108 HG13 ILE 108 4.226 3.958 6.682 860 HG13 ILE 108 HG12 ILE 108 3.939 2.274 7.058 861 HG21 ILE 108 HG21 ILE 108 0.740 3.445 7.428 862 HG22 ILE 108 HG22 ILE 108 1.423 5.059 7.237 863 HG23 ILE 108 HG23 ILE 108 0.889 4.508 8.824 864 HD11 ILE 108 HD11 ILE 108 3.156 2.642 4.878 865 HD12 ILE 108 HD12 ILE 108 2.280 4.096 5.355 866 HD13 ILE 108 HD13 ILE 108 1.724 2.511 5.901 867 H SER 109 H SER 109 3.843 3.010 10.771 868 HA SER 109 HA SER 109 2.066 3.999 12.703 869 HB2 SER 109 HB3 SER 109 3.121 1.704 12.672 870 HB3 SER 109 HB2 SER 109 4.604 2.450 13.268 871 HG SER 109 HG SER 109 3.773 2.346 15.181 872 H ARG 110 H ARG 110 5.304 4.841 11.864 873 HA ARG 110 HA ARG 110 6.009 6.373 14.113 874 HB2 ARG 110 HB2 ARG 110 7.883 5.949 12.875 875 HB3 ARG 110 HB3 ARG 110 6.981 5.871 11.395 876 HG2 ARG 110 HG2 ARG 110 6.932 8.246 11.239 877 HG3 ARG 110 HG3 ARG 110 7.866 8.387 12.739 878 HD2 ARG 110 HD2 ARG 110 9.668 7.112 11.726 879 HD3 ARG 110 HD3 ARG 110 8.734 6.927 10.253 880 HE ARG 110 HE ARG 110 9.099 9.673 10.871 881 HH11 ARG 110 HH11 ARG 110 10.766 6.852 9.677 882 HH12 ARG 110 HH12 ARG 110 11.834 7.739 8.629 883 HH21 ARG 110 HH21 ARG 110 10.504 10.878 9.490 884 HH22 ARG 110 HH22 ARG 110 11.679 10.038 8.532 885 H TYR 111 H TYR 111 4.191 7.005 11.184 886 HA TYR 111 HA TYR 111 4.087 9.830 11.814 887 HB2 TYR 111 HB3 TYR 111 3.553 8.230 9.378 888 HB3 TYR 111 HB2 TYR 111 2.707 9.761 9.554 889 HD1 TYR 111 HD2 TYR 111 4.098 11.862 9.948 890 HD2 TYR 111 HD1 TYR 111 5.795 8.173 8.725 891 HE1 TYR 111 HE2 TYR 111 6.124 13.049 9.218 892 HE2 TYR 111 HE1 TYR 111 7.838 9.337 7.983 893 HH TYR 111 HH TYR 111 8.573 12.474 8.884 894 H LYS 112 H LYS 112 2.227 7.016 12.216 895 HA LYS 112 HA LYS 112 -0.292 8.386 12.559 896 HB2 LYS 112 HB2 LYS 112 0.619 5.580 13.236 897 HB3 LYS 112 HB3 LYS 112 -0.999 6.176 13.583 898 HG2 LYS 112 HG2 LYS 112 -1.659 5.956 11.463 899 HG3 LYS 112 HG3 LYS 112 -0.148 6.611 10.825 900 HD2 LYS 112 HD2 LYS 112 -0.317 4.340 10.107 901 HD3 LYS 112 HD3 LYS 112 0.926 4.423 11.338 902 HE2 LYS 112 HE2 LYS 112 -0.295 2.515 11.848 903 HE3 LYS 112 HE3 LYS 112 -0.875 3.726 12.987 904 HZ1 LYS 112 HZ1 LYS 112 -2.774 2.644 12.171 905 HZ2 LYS 112 HZ2 LYS 112 -2.236 2.679 10.567 906 HZ3 LYS 112 HZ3 LYS 112 -2.732 4.112 11.330 907 H ASP 113 H ASP 113 2.414 7.405 14.539 908 HA ASP 113 HA ASP 113 1.217 8.232 17.012 909 HB2 ASP 113 HB2 ASP 113 3.112 6.633 16.931 910 HB3 ASP 113 HB3 ASP 113 4.143 7.907 16.289 911 H ALA 114 H ALA 114 2.573 9.754 14.321 912 HA ALA 114 HA ALA 114 2.899 12.293 15.766 913 HB1 ALA 114 HB1 ALA 114 4.251 13.041 13.889 914 HB2 ALA 114 HB2 ALA 114 3.955 11.520 13.049 915 HB3 ALA 114 HB3 ALA 114 4.888 11.532 14.545 916 H ASP 115 H ASP 115 0.420 10.898 14.654 917 HA ASP 115 HA ASP 115 -0.492 12.746 12.627 918 HB2 ASP 115 HB2 ASP 115 -1.222 10.361 12.646 919 HB3 ASP 115 HB3 ASP 115 -2.066 10.658 14.158 920 H1 GLY 242 H1 GLY 242 -21.873 -3.508 15.801 921 H2 GLY 242 H2 GLY 242 -21.963 -3.370 14.121 922 H3 GLY 242 H3 GLY 242 -23.350 -3.156 15.059 923 HA2 GLY 242 HA2 GLY 242 -22.414 -1.176 16.058 924 HA3 GLY 242 HA3 GLY 242 -20.966 -1.397 15.084 925 H GLY 243 H GLY 243 -22.320 0.965 14.910 926 HA2 GLY 243 HA3 GLY 243 -24.376 0.998 12.952 927 HA3 GLY 243 HA2 GLY 243 -23.439 2.385 13.489 928 H GLY 244 H GLY 244 -20.892 1.106 12.750 929 HA2 GLY 244 HA3 GLY 244 -20.879 1.973 10.000 930 HA3 GLY 244 HA2 GLY 244 -19.488 1.464 10.945 931 H GLY 245 H GLY 245 -22.404 0.165 9.383 932 HA2 GLY 245 HA3 GLY 245 -22.254 -1.507 7.680 933 HA3 GLY 245 HA2 GLY 245 -20.741 -2.046 8.389 934 H TYR 246 H TYR 246 -24.214 -1.835 9.051 935 HA TYR 246 HA TYR 246 -23.969 -4.309 10.634 936 HB2 TYR 246 HB3 TYR 246 -25.882 -3.582 11.944 937 HB3 TYR 246 HB2 TYR 246 -24.653 -2.322 11.959 938 HD1 TYR 246 HD2 TYR 246 -24.993 -0.242 10.693 939 HD2 TYR 246 HD1 TYR 246 -28.028 -3.217 10.907 940 HE1 TYR 246 HE2 TYR 246 -26.650 1.399 9.922 941 HE2 TYR 246 HE1 TYR 246 -29.693 -1.578 10.135 942 HH TYR 246 HH TYR 246 -28.824 1.441 8.822 943 H ASP 247 H ASP 247 -25.256 -2.921 7.850 944 HA ASP 247 HA ASP 247 -27.664 -4.558 7.792 945 HB2 ASP 247 HB2 ASP 247 -27.680 -2.149 7.079 946 HB3 ASP 247 HB3 ASP 247 -26.663 -2.599 5.715 947 H VAL 248 H VAL 248 -27.316 -6.601 7.269 948 HA VAL 248 HA VAL 248 -26.342 -8.480 6.450 949 HB VAL 248 HB VAL 248 -28.048 -7.836 4.741 950 HG11 VAL 248 HG21 VAL 248 -25.676 -6.854 3.171 951 HG12 VAL 248 HG22 VAL 248 -27.032 -5.891 3.755 952 HG13 VAL 248 HG23 VAL 248 -27.292 -7.120 2.518 953 HG21 VAL 248 HG13 VAL 248 -25.688 -9.417 3.745 954 HG22 VAL 248 HG11 VAL 248 -27.323 -9.480 3.086 955 HG23 VAL 248 HG12 VAL 248 -27.016 -10.024 4.735 956 H GLU 249 H GLU 249 -24.425 -6.771 7.359 957 HA GLU 249 HA GLU 249 -22.230 -7.207 5.463 958 HB2 GLU 249 HB2 GLU 249 -22.801 -4.921 7.305 959 HB3 GLU 249 HB3 GLU 249 -21.132 -5.312 6.902 960 HG2 GLU 249 HG3 GLU 249 -21.527 -4.985 4.589 961 HG3 GLU 249 HG2 GLU 249 -23.266 -4.836 4.844 962 H MET 250 H MET 250 -20.968 -8.736 6.029 963 HA MET 250 HA MET 250 -20.060 -8.975 8.782 964 HB2 MET 250 HB3 MET 250 -20.282 -11.546 8.471 965 HB3 MET 250 HB2 MET 250 -21.700 -10.621 8.941 966 HG2 MET 250 HG3 MET 250 -22.358 -12.200 7.297 967 HG3 MET 250 HG2 MET 250 -22.410 -10.602 6.564 968 HE1 MET 250 HE1 MET 250 -20.764 -14.109 6.625 969 HE2 MET 250 HE2 MET 250 -19.424 -13.141 7.238 970 HE3 MET 250 HE3 MET 250 -19.313 -13.892 5.648 971 H GLU 251 H GLU 251 -19.097 -8.081 6.122 972 HA GLU 251 HA GLU 251 -17.330 -9.871 4.972 973 HB2 GLU 251 HB2 GLU 251 -16.204 -7.835 4.116 974 HB3 GLU 251 HB3 GLU 251 -17.937 -7.853 3.858 975 HG2 GLU 251 HG3 GLU 251 -18.245 -6.388 5.765 976 HG3 GLU 251 HG2 GLU 251 -16.507 -6.393 6.045 977 H SER 252 H SER 252 -15.207 -10.344 5.247 978 HA SER 252 HA SER 252 -14.311 -10.355 7.945 979 HB2 SER 252 HB3 SER 252 -12.840 -11.194 5.436 980 HB3 SER 252 HB2 SER 252 -12.437 -11.655 7.089 981 HG SER 252 HG SER 252 -14.926 -12.239 5.855 982 H GLU 253 H GLU 253 -13.733 -8.420 8.750 983 HA GLU 253 HA GLU 253 -12.216 -6.509 7.237 984 HB2 GLU 253 HB2 GLU 253 -12.932 -6.576 10.172 985 HB3 GLU 253 HB3 GLU 253 -12.226 -5.202 9.331 986 HG2 GLU 253 HG3 GLU 253 -14.179 -4.902 8.011 987 HG3 GLU 253 HG2 GLU 253 -14.864 -6.426 8.571 988 H GLU 254 H GLU 254 -11.532 -8.868 9.767 989 HA GLU 254 HA GLU 254 -8.861 -7.909 10.214 990 HB2 GLU 254 HB2 GLU 254 -10.083 -10.542 11.060 991 HB3 GLU 254 HB3 GLU 254 -8.583 -9.856 11.662 992 HG2 GLU 254 HG3 GLU 254 -10.134 -9.428 13.332 993 HG3 GLU 254 HG2 GLU 254 -10.000 -7.899 12.470 994 H GLU 255 H GLU 255 -10.341 -10.546 8.401 995 HA GLU 255 HA GLU 255 -7.788 -11.554 7.508 996 HB2 GLU 255 HB2 GLU 255 -10.609 -12.209 6.675 997 HB3 GLU 255 HB3 GLU 255 -9.190 -13.004 6.020 998 HG2 GLU 255 HG3 GLU 255 -8.618 -13.828 8.239 999 HG3 GLU 255 HG2 GLU 255 -10.028 -13.011 8.910 1000 H SER 256 H SER 256 -9.875 -9.080 6.621 1001 HA SER 256 HA SER 256 -9.900 -7.541 4.974 1002 HB2 SER 256 HB3 SER 256 -7.457 -7.499 5.165 1003 HB3 SER 256 HB2 SER 256 -7.343 -8.858 4.048 1004 HG SER 256 HG SER 256 -7.794 -6.187 3.546 1005 H ASP 257 H ASP 257 -11.640 -7.932 3.800 1006 HA ASP 257 HA ASP 257 -11.706 -10.170 1.943 1007 HB2 ASP 257 HB2 ASP 257 -13.665 -9.559 3.416 1008 HB3 ASP 257 HB3 ASP 257 -13.861 -8.109 2.438 1009 H ASP 258 H ASP 258 -11.705 -6.652 1.914 1010 HA ASP 258 HA ASP 258 -12.308 -6.327 -0.823 1011 HB2 ASP 258 HB2 ASP 258 -12.664 -4.526 0.774 1012 HB3 ASP 258 HB3 ASP 258 -10.936 -4.439 1.092 1013 H ASP 259 H ASP 259 -9.201 -5.665 0.784 1014 HA ASP 259 HA ASP 259 -7.851 -5.910 -1.780 1015 HB2 ASP 259 HB2 ASP 259 -6.829 -5.181 0.967 1016 HB3 ASP 259 HB3 ASP 259 -5.788 -5.336 -0.442 1017 H GLY 260 H GLY 260 -7.986 -7.550 1.323 1018 HA2 GLY 260 HA3 GLY 260 -7.572 -9.870 1.611 1019 HA3 GLY 260 HA2 GLY 260 -6.623 -9.854 0.125 1020 H PHE 261 H PHE 261 -5.859 -7.155 1.788 1021 HA PHE 261 HA PHE 261 -3.487 -8.383 3.015 1022 HB2 PHE 261 HB3 PHE 261 -3.498 -5.604 1.871 1023 HB3 PHE 261 HB2 PHE 261 -2.127 -6.662 2.168 1024 HD1 PHE 261 HD2 PHE 261 -3.187 -9.125 0.770 1025 HD2 PHE 261 HD1 PHE 261 -3.145 -5.022 -0.342 1026 HE1 PHE 261 HE2 PHE 261 -3.237 -9.769 -1.594 1027 HE2 PHE 261 HE1 PHE 261 -3.191 -5.666 -2.712 1028 HZ PHE 261 HZ PHE 261 -3.237 -8.039 -3.344 1029 H VAL 262 H VAL 262 -2.696 -7.320 4.936 1030 HA VAL 262 HA VAL 262 -4.696 -5.534 6.179 1031 HB VAL 262 HB VAL 262 -4.188 -6.574 8.351 1032 HG11 VAL 262 HG21 VAL 262 -5.096 -8.509 6.225 1033 HG12 VAL 262 HG22 VAL 262 -6.107 -7.356 7.097 1034 HG13 VAL 262 HG23 VAL 262 -5.358 -8.700 7.959 1035 HG21 VAL 262 HG13 VAL 262 -2.565 -8.535 6.732 1036 HG22 VAL 262 HG11 VAL 262 -2.954 -8.692 8.444 1037 HG23 VAL 262 HG12 VAL 262 -1.932 -7.366 7.890 1038 H GLU 263 H GLU 263 -3.886 -4.177 7.921 1039 HA GLU 263 HA GLU 263 -1.205 -3.157 7.397 1040 HB2 GLU 263 HB2 GLU 263 -3.108 -1.577 7.643 1041 HB3 GLU 263 HB3 GLU 263 -3.353 -2.152 9.285 1042 HG2 GLU 263 HG3 GLU 263 -0.883 -1.430 9.636 1043 HG3 GLU 263 HG2 GLU 263 -1.146 -0.472 8.180 1044 H VAL 264 H VAL 264 0.492 -3.722 8.618 1045 HA VAL 264 HA VAL 264 -0.044 -4.945 11.243 1046 HB VAL 264 HB VAL 264 2.289 -5.496 9.396 1047 HG11 VAL 264 HG21 VAL 264 2.884 -5.646 11.772 1048 HG12 VAL 264 HG22 VAL 264 2.900 -7.230 11.002 1049 HG13 VAL 264 HG23 VAL 264 1.549 -6.766 12.033 1050 HG21 VAL 264 HG13 VAL 264 -0.079 -7.222 10.131 1051 HG22 VAL 264 HG11 VAL 264 1.303 -7.736 9.163 1052 HG23 VAL 264 HG12 VAL 264 0.221 -6.480 8.560 1053 H ASP 265 H ASP 265 0.272 -3.312 12.644 1054 HA ASP 265 HA ASP 265 2.664 -1.647 12.371 1055 HB2 ASP 265 HB2 ASP 265 1.685 -0.162 13.967 1056 HB3 ASP 265 HB3 ASP 265 0.414 -0.592 12.848 Start of MODEL 7 1 H2 PRO 1 H2 PRO 1 19.309 -3.230 0.653 2 H3 PRO 1 H3 PRO 1 18.702 -2.777 2.098 3 HA PRO 1 HA PRO 1 17.915 -4.789 0.567 4 HB2 PRO 1 HB3 PRO 1 18.569 -6.242 3.012 5 HB3 PRO 1 HB2 PRO 1 18.768 -6.738 1.324 6 HG2 PRO 1 HG3 PRO 1 20.870 -6.089 2.896 7 HG3 PRO 1 HG2 PRO 1 20.852 -5.788 1.149 8 HD2 PRO 1 HD2 PRO 1 20.336 -3.874 3.405 9 HD3 PRO 1 HD3 PRO 1 21.304 -3.641 1.940 10 H SER 2 H SER 2 16.143 -6.030 1.808 11 HA SER 2 HA SER 2 14.185 -6.029 2.887 12 HB2 SER 2 HB3 SER 2 14.005 -5.208 5.167 13 HB3 SER 2 HB2 SER 2 15.490 -6.118 4.951 14 HG SER 2 HG SER 2 16.205 -4.374 5.964 15 H HIS 3 H HIS 3 15.587 -2.812 2.713 16 HA HIS 3 HA HIS 3 12.971 -1.561 2.733 17 HB2 HIS 3 HB3 HIS 3 15.772 -0.444 2.463 18 HB3 HIS 3 HB2 HIS 3 14.323 0.550 2.459 19 HD1 HIS 3 HD1 HIS 3 15.572 -2.199 4.826 20 HD2 HIS 3 HD2 HIS 3 14.092 1.693 4.874 21 HE1 HIS 3 HE1 HIS 3 15.494 -1.527 7.246 22 HE2 HIS 3 HE2 HIS 3 14.435 0.756 7.257 23 H SER 4 H SER 4 13.897 -3.389 0.595 24 HA SER 4 HA SER 4 12.989 -1.928 -1.685 25 HB2 SER 4 HB3 SER 4 15.033 -2.273 -3.065 26 HB3 SER 4 HB2 SER 4 15.276 -1.129 -1.744 27 HG SER 4 HG SER 4 16.447 -3.573 -2.186 28 H GLY 5 H GLY 5 12.526 -3.348 -3.447 29 HA2 GLY 5 HA3 GLY 5 13.227 -6.064 -3.574 30 HA3 GLY 5 HA2 GLY 5 11.708 -5.929 -2.693 31 H ALA 6 H ALA 6 12.264 -7.097 -5.358 32 HA ALA 6 HA ALA 6 11.246 -5.212 -7.272 33 HB1 ALA 6 HB1 ALA 6 11.696 -8.170 -7.609 34 HB2 ALA 6 HB2 ALA 6 12.906 -6.914 -7.882 35 HB3 ALA 6 HB3 ALA 6 11.458 -6.974 -8.886 36 H ALA 7 H ALA 7 9.128 -4.788 -7.543 37 HA ALA 7 HA ALA 7 7.160 -6.877 -6.866 38 HB1 ALA 7 HB1 ALA 7 6.885 -3.929 -6.294 39 HB2 ALA 7 HB2 ALA 7 7.145 -5.199 -5.099 40 HB3 ALA 7 HB3 ALA 7 5.640 -5.150 -6.024 41 H ILE 8 H ILE 8 5.189 -6.775 -7.965 42 HA ILE 8 HA ILE 8 5.316 -5.553 -10.632 43 HB ILE 8 HB ILE 8 3.492 -7.666 -9.446 44 HG12 ILE 8 HG13 ILE 8 4.428 -9.118 -11.246 45 HG13 ILE 8 HG12 ILE 8 5.550 -7.831 -11.659 46 HG21 ILE 8 HG21 ILE 8 2.473 -7.838 -11.672 47 HG22 ILE 8 HG22 ILE 8 3.398 -6.427 -12.182 48 HG23 ILE 8 HG23 ILE 8 2.189 -6.276 -10.906 49 HD11 ILE 8 HD11 ILE 8 6.551 -8.018 -9.433 50 HD12 ILE 8 HD12 ILE 8 6.625 -9.534 -10.331 51 HD13 ILE 8 HD13 ILE 8 5.428 -9.324 -9.052 52 H PHE 9 H PHE 9 4.300 -3.700 -10.955 53 HA PHE 9 HA PHE 9 2.123 -3.003 -9.116 54 HB2 PHE 9 HB3 PHE 9 4.078 -1.651 -8.631 55 HB3 PHE 9 HB2 PHE 9 4.225 -1.200 -10.324 56 HD1 PHE 9 HD1 PHE 9 2.077 -0.837 -7.330 57 HD2 PHE 9 HD2 PHE 9 3.109 0.668 -11.171 58 HE1 PHE 9 HE1 PHE 9 0.732 1.175 -6.903 59 HE2 PHE 9 HE2 PHE 9 1.757 2.675 -10.750 60 HZ PHE 9 HZ PHE 9 0.565 2.932 -8.615 61 H GLU 10 H GLU 10 0.330 -3.334 -10.264 62 HA GLU 10 HA GLU 10 -1.274 -3.163 -11.852 63 HB2 GLU 10 HB2 GLU 10 0.397 -0.912 -12.964 64 HB3 GLU 10 HB3 GLU 10 -1.274 -1.260 -13.377 65 HG2 GLU 10 HG3 GLU 10 -1.866 -0.883 -10.993 66 HG3 GLU 10 HG2 GLU 10 -0.212 -0.336 -10.725 67 H LYS 11 H LYS 11 0.323 -5.144 -12.224 68 HA LYS 11 HA LYS 11 0.559 -6.794 -13.729 69 HB2 LYS 11 HB2 LYS 11 -0.428 -4.847 -15.798 70 HB3 LYS 11 HB3 LYS 11 -0.307 -6.595 -15.985 71 HG2 LYS 11 HG2 LYS 11 -2.008 -5.194 -13.960 72 HG3 LYS 11 HG3 LYS 11 -2.597 -5.857 -15.474 73 HD2 LYS 11 HD2 LYS 11 -2.564 -7.944 -14.685 74 HD3 LYS 11 HD3 LYS 11 -1.082 -7.699 -13.783 75 HE2 LYS 11 HE2 LYS 11 -2.505 -6.274 -12.234 76 HE3 LYS 11 HE3 LYS 11 -3.893 -7.020 -13.017 77 HZ1 LYS 11 HZ1 LYS 11 -3.318 -8.216 -11.020 78 HZ2 LYS 11 HZ2 LYS 11 -1.734 -8.446 -11.557 79 HZ3 LYS 11 HZ3 LYS 11 -3.016 -9.195 -12.365 80 H VAL 12 H VAL 12 2.355 -3.972 -13.865 81 HA VAL 12 HA VAL 12 4.281 -5.249 -15.677 82 HB VAL 12 HB VAL 12 4.151 -3.045 -16.418 83 HG11 VAL 12 HG21 VAL 12 4.155 -2.104 -13.558 84 HG12 VAL 12 HG22 VAL 12 2.753 -2.166 -14.626 85 HG13 VAL 12 HG23 VAL 12 4.089 -1.073 -14.990 86 HG21 VAL 12 HG13 VAL 12 6.238 -1.912 -15.644 87 HG22 VAL 12 HG11 VAL 12 6.457 -3.603 -16.105 88 HG23 VAL 12 HG12 VAL 12 6.382 -3.160 -14.398 89 H SER 13 H SER 13 6.065 -6.162 -14.940 90 HA SER 13 HA SER 13 6.524 -6.326 -12.113 91 HB2 SER 13 HB3 SER 13 6.857 -8.278 -13.609 92 HB3 SER 13 HB2 SER 13 8.171 -7.418 -14.409 93 HG SER 13 HG SER 13 9.350 -8.336 -12.935 94 H GLY 14 H GLY 14 7.911 -5.189 -10.937 95 HA2 GLY 14 HA3 GLY 14 10.063 -3.735 -12.222 96 HA3 GLY 14 HA2 GLY 14 8.825 -2.761 -11.466 97 H ILE 15 H ILE 15 10.515 -1.951 -10.138 98 HA ILE 15 HA ILE 15 11.214 -3.756 -7.954 99 HB ILE 15 HB ILE 15 12.968 -1.498 -8.805 100 HG12 ILE 15 HG13 ILE 15 12.624 -3.121 -10.685 101 HG13 ILE 15 HG12 ILE 15 14.273 -2.964 -10.147 102 HG21 ILE 15 HG21 ILE 15 14.696 -2.784 -7.633 103 HG22 ILE 15 HG22 ILE 15 13.491 -4.002 -7.222 104 HG23 ILE 15 HG23 ILE 15 13.348 -2.368 -6.576 105 HD11 ILE 15 HD11 ILE 15 13.652 -5.250 -10.686 106 HD12 ILE 15 HD12 ILE 15 12.429 -5.197 -9.413 107 HD13 ILE 15 HD13 ILE 15 14.140 -5.063 -8.999 108 H ILE 16 H ILE 16 11.466 -2.790 -5.907 109 HA ILE 16 HA ILE 16 10.136 -0.183 -5.606 110 HB ILE 16 HB ILE 16 9.185 -2.736 -4.739 111 HG12 ILE 16 HG13 ILE 16 8.168 0.046 -4.156 112 HG13 ILE 16 HG12 ILE 16 7.885 -0.833 -5.652 113 HG21 ILE 16 HG21 ILE 16 10.474 -2.443 -2.695 114 HG22 ILE 16 HG22 ILE 16 8.753 -2.251 -2.356 115 HG23 ILE 16 HG23 ILE 16 9.794 -0.830 -2.472 116 HD11 ILE 16 HD11 ILE 16 5.968 -0.950 -4.171 117 HD12 ILE 16 HD12 ILE 16 6.974 -1.673 -2.916 118 HD13 ILE 16 HD13 ILE 16 6.675 -2.545 -4.419 119 H ALA 17 H ALA 17 11.160 1.192 -4.266 120 HA ALA 17 HA ALA 17 13.042 0.067 -2.328 121 HB1 ALA 17 HB1 ALA 17 14.658 1.867 -2.902 122 HB2 ALA 17 HB2 ALA 17 13.663 2.232 -4.319 123 HB3 ALA 17 HB3 ALA 17 14.422 0.643 -4.146 124 H ILE 18 H ILE 18 12.172 0.628 -0.448 125 HA ILE 18 HA ILE 18 11.074 3.257 0.048 126 HB ILE 18 HB ILE 18 11.767 1.224 2.148 127 HG12 ILE 18 HG13 ILE 18 9.120 0.918 1.954 128 HG13 ILE 18 HG12 ILE 18 9.457 1.307 0.272 129 HG21 ILE 18 HG21 ILE 18 10.124 2.445 3.474 130 HG22 ILE 18 HG22 ILE 18 9.793 3.509 2.108 131 HG23 ILE 18 HG23 ILE 18 11.381 3.544 2.884 132 HD11 ILE 18 HD11 ILE 18 11.035 -0.528 0.158 133 HD12 ILE 18 HD12 ILE 18 9.429 -1.069 0.626 134 HD13 ILE 18 HD13 ILE 18 10.694 -0.927 1.841 135 H ASN 19 H ASN 19 12.403 4.919 0.545 136 HA ASN 19 HA ASN 19 14.920 4.289 1.939 137 HB2 ASN 19 HB2 ASN 19 16.161 5.602 0.510 138 HB3 ASN 19 HB3 ASN 19 14.937 5.006 -0.596 139 HD21 ASN 19 HD21 ASN 19 16.268 7.760 0.918 140 HD22 ASN 19 HD22 ASN 19 15.275 8.921 0.165 141 H GLU 20 H GLU 20 15.162 5.381 3.881 142 HA GLU 20 HA GLU 20 13.773 7.973 3.833 143 HB2 GLU 20 HB2 GLU 20 14.900 6.664 6.302 144 HB3 GLU 20 HB3 GLU 20 13.736 7.967 6.198 145 HG2 GLU 20 HG3 GLU 20 12.135 6.342 5.196 146 HG3 GLU 20 HG2 GLU 20 13.295 5.081 5.586 147 H ASP 21 H ASP 21 15.672 8.501 2.467 148 HA ASP 21 HA ASP 21 17.635 9.816 4.217 149 HB2 ASP 21 HB2 ASP 21 18.727 8.378 2.525 150 HB3 ASP 21 HB3 ASP 21 17.830 9.191 1.252 151 H VAL 22 H VAL 22 14.849 9.900 2.712 152 HA VAL 22 HA VAL 22 15.162 12.328 1.118 153 HB VAL 22 HB VAL 22 14.530 10.140 0.141 154 HG11 VAL 22 HG21 VAL 22 12.598 8.989 0.618 155 HG12 VAL 22 HG22 VAL 22 11.865 10.378 1.418 156 HG13 VAL 22 HG23 VAL 22 13.184 9.508 2.201 157 HG21 VAL 22 HG13 VAL 22 12.535 12.330 -0.124 158 HG22 VAL 22 HG11 VAL 22 12.468 10.831 -1.065 159 HG23 VAL 22 HG12 VAL 22 13.871 11.902 -1.197 160 H SER 23 H SER 23 13.130 13.642 0.911 161 HA SER 23 HA SER 23 11.873 14.546 3.219 162 HB2 SER 23 HB3 SER 23 10.725 14.456 0.430 163 HB3 SER 23 HB2 SER 23 10.283 15.577 1.708 164 HG SER 23 HG SER 23 12.823 15.883 1.514 165 HA PRO 24 HA PRO 24 9.472 12.048 5.222 166 HB2 PRO 24 HB3 PRO 24 6.859 11.697 4.266 167 HB3 PRO 24 HB2 PRO 24 7.369 12.905 5.450 168 HG2 PRO 24 HG3 PRO 24 7.054 13.164 2.479 169 HG3 PRO 24 HG2 PRO 24 6.550 14.291 3.747 170 HD2 PRO 24 HD2 PRO 24 8.738 14.819 2.404 171 HD3 PRO 24 HD3 PRO 24 8.810 14.940 4.180 172 H ALA 25 H ALA 25 9.669 9.913 5.328 173 HA ALA 25 HA ALA 25 11.152 8.649 3.586 174 HB1 ALA 25 HB1 ALA 25 9.065 7.348 5.269 175 HB2 ALA 25 HB2 ALA 25 10.771 7.608 5.639 176 HB3 ALA 25 HB3 ALA 25 10.300 6.457 4.385 177 H GLU 26 H GLU 26 11.117 7.376 1.792 178 HA GLU 26 HA GLU 26 8.624 7.680 0.331 179 HB2 GLU 26 HB2 GLU 26 9.869 9.702 -0.020 180 HB3 GLU 26 HB3 GLU 26 11.313 8.810 -0.443 181 HG2 GLU 26 HG3 GLU 26 10.250 7.976 -2.388 182 HG3 GLU 26 HG2 GLU 26 8.772 8.846 -2.001 183 H LEU 27 H LEU 27 8.144 6.076 -0.974 184 HA LEU 27 HA LEU 27 10.084 3.896 -1.389 185 HB2 LEU 27 HB2 LEU 27 8.017 3.158 -0.414 186 HB3 LEU 27 HB3 LEU 27 7.068 4.116 -1.521 187 HG LEU 27 HG LEU 27 8.696 1.733 -2.431 188 HD11 LEU 27 HD11 LEU 27 5.798 1.843 -1.644 189 HD12 LEU 27 HD12 LEU 27 7.083 1.062 -0.717 190 HD13 LEU 27 HD13 LEU 27 6.648 0.448 -2.313 191 HD21 LEU 27 HD21 LEU 27 7.927 3.342 -4.184 192 HD22 LEU 27 HD22 LEU 27 6.265 3.038 -3.678 193 HD23 LEU 27 HD23 LEU 27 7.238 1.731 -4.355 194 H THR 28 H THR 28 10.526 3.258 -3.501 195 HA THR 28 HA THR 28 9.336 4.925 -5.597 196 HB THR 28 HB THR 28 12.269 4.247 -5.527 197 HG1 THR 28 HG1 THR 28 11.101 5.918 -3.931 198 HG21 THR 28 HG21 THR 28 11.428 4.689 -7.728 199 HG22 THR 28 HG22 THR 28 12.357 6.090 -7.193 200 HG23 THR 28 HG23 THR 28 10.587 6.136 -7.162 201 H TRP 29 H TRP 29 8.200 3.511 -6.757 202 HA TRP 29 HA TRP 29 9.308 0.853 -7.231 203 HB2 TRP 29 HB3 TRP 29 6.892 0.992 -6.731 204 HB3 TRP 29 HB2 TRP 29 6.663 2.019 -8.144 205 HD1 TRP 29 HD1 TRP 29 7.292 -1.638 -7.178 206 HE1 TRP 29 HE1 TRP 29 6.905 -3.130 -9.244 207 HE3 TRP 29 HE3 TRP 29 6.685 2.008 -10.706 208 HZ2 TRP 29 HZ2 TRP 29 6.402 -2.796 -11.986 209 HZ3 TRP 29 HZ3 TRP 29 6.253 1.329 -13.024 210 HH2 TRP 29 HH2 TRP 29 6.115 -1.018 -13.650 211 H ARG 30 H ARG 30 10.721 0.709 -8.714 212 HA ARG 30 HA ARG 30 10.465 2.319 -11.168 213 HB2 ARG 30 HB2 ARG 30 12.477 2.885 -10.030 214 HB3 ARG 30 HB3 ARG 30 12.830 1.194 -9.685 215 HG2 ARG 30 HG2 ARG 30 12.823 1.037 -12.316 216 HG3 ARG 30 HG3 ARG 30 13.230 2.743 -12.156 217 HD2 ARG 30 HD2 ARG 30 15.076 2.173 -10.675 218 HD3 ARG 30 HD3 ARG 30 14.637 0.468 -10.806 219 HE ARG 30 HE ARG 30 15.677 2.125 -13.016 220 HH11 ARG 30 HH11 ARG 30 15.236 -0.994 -11.489 221 HH12 ARG 30 HH12 ARG 30 16.255 -1.828 -12.615 222 HH21 ARG 30 HH21 ARG 30 17.003 1.044 -14.495 223 HH22 ARG 30 HH22 ARG 30 17.258 -0.666 -14.339 224 H SER 31 H SER 31 9.929 1.134 -12.941 225 HA SER 31 HA SER 31 9.472 -1.608 -12.799 226 HB2 SER 31 HB3 SER 31 9.166 -1.543 -15.230 227 HB3 SER 31 HB2 SER 31 8.367 -0.176 -14.459 228 HG SER 31 HG SER 31 9.720 0.194 -16.424 229 H THR 32 H THR 32 10.572 -3.382 -13.633 230 HA THR 32 HA THR 32 13.261 -3.606 -13.138 231 HB THR 32 HB THR 32 11.766 -5.160 -15.266 232 HG1 THR 32 HG1 THR 32 12.073 -5.788 -12.502 233 HG21 THR 32 HG21 THR 32 14.161 -5.897 -13.574 234 HG22 THR 32 HG22 THR 32 14.194 -5.518 -15.297 235 HG23 THR 32 HG23 THR 32 13.344 -6.955 -14.727 236 H ASP 33 H ASP 33 11.665 -2.653 -16.151 237 HA ASP 33 HA ASP 33 13.927 -2.647 -17.824 238 HB2 ASP 33 HB2 ASP 33 11.332 -1.110 -18.026 239 HB3 ASP 33 HB3 ASP 33 12.488 -1.338 -19.317 240 H GLY 34 H GLY 34 12.648 -0.363 -15.539 241 HA2 GLY 34 HA3 GLY 34 13.722 1.526 -14.694 242 HA3 GLY 34 HA2 GLY 34 14.896 1.419 -15.999 243 H ASP 35 H ASP 35 11.495 1.308 -16.699 244 HA ASP 35 HA ASP 35 11.862 3.802 -18.202 245 HB2 ASP 35 HB2 ASP 35 11.415 1.749 -19.513 246 HB3 ASP 35 HB3 ASP 35 9.883 1.595 -18.672 247 H LYS 36 H LYS 36 9.728 2.081 -16.047 248 HA LYS 36 HA LYS 36 8.083 4.505 -15.769 249 HB2 LYS 36 HB2 LYS 36 6.787 2.668 -16.671 250 HB3 LYS 36 HB3 LYS 36 7.347 1.593 -15.399 251 HG2 LYS 36 HG2 LYS 36 6.208 3.062 -13.756 252 HG3 LYS 36 HG3 LYS 36 5.519 3.958 -15.110 253 HD2 LYS 36 HD2 LYS 36 5.200 0.979 -14.810 254 HD3 LYS 36 HD3 LYS 36 4.065 2.128 -14.096 255 HE2 LYS 36 HE2 LYS 36 3.645 3.061 -16.337 256 HE3 LYS 36 HE3 LYS 36 4.747 1.869 -17.019 257 HZ1 LYS 36 HZ1 LYS 36 3.302 0.119 -16.418 258 HZ2 LYS 36 HZ2 LYS 36 2.336 1.296 -17.151 259 HZ3 LYS 36 HZ3 LYS 36 2.335 1.131 -15.471 260 H VAL 37 H VAL 37 8.324 5.532 -13.894 261 HA VAL 37 HA VAL 37 9.200 3.990 -11.532 262 HB VAL 37 HB VAL 37 9.985 6.834 -12.222 263 HG11 VAL 37 HG21 VAL 37 11.472 6.671 -10.292 264 HG12 VAL 37 HG22 VAL 37 10.854 5.055 -9.947 265 HG13 VAL 37 HG23 VAL 37 9.787 6.454 -9.820 266 HG21 VAL 37 HG13 VAL 37 11.109 5.222 -13.667 267 HG22 VAL 37 HG11 VAL 37 11.641 4.312 -12.254 268 HG23 VAL 37 HG12 VAL 37 12.243 5.947 -12.527 269 H HIS 38 H HIS 38 7.731 4.002 -10.001 270 HA HIS 38 HA HIS 38 5.871 6.273 -9.785 271 HB2 HIS 38 HB3 HIS 38 5.032 3.931 -10.534 272 HB3 HIS 38 HB2 HIS 38 5.258 3.515 -8.837 273 HD1 HIS 38 HD1 HIS 38 3.014 5.305 -11.152 274 HD2 HIS 38 HD2 HIS 38 3.491 4.907 -7.046 275 HE1 HIS 38 HE1 HIS 38 0.901 6.206 -10.143 276 HE2 HIS 38 HE2 HIS 38 1.309 6.162 -7.663 277 H THR 39 H THR 39 6.431 7.437 -8.055 278 HA THR 39 HA THR 39 7.763 6.108 -5.819 279 HB THR 39 HB THR 39 7.356 9.062 -6.314 280 HG1 THR 39 HG1 THR 39 9.870 8.364 -6.701 281 HG21 THR 39 HG21 THR 39 9.120 9.351 -4.706 282 HG22 THR 39 HG22 THR 39 9.336 7.604 -4.576 283 HG23 THR 39 HG23 THR 39 7.851 8.357 -3.983 284 H VAL 40 H VAL 40 6.982 6.111 -3.732 285 HA VAL 40 HA VAL 40 4.287 7.234 -3.289 286 HB VAL 40 HB VAL 40 5.515 4.666 -2.311 287 HG11 VAL 40 HG21 VAL 40 3.431 4.414 -0.937 288 HG12 VAL 40 HG22 VAL 40 3.144 6.135 -1.202 289 HG13 VAL 40 HG23 VAL 40 4.588 5.604 -0.343 290 HG21 VAL 40 HG13 VAL 40 4.224 4.827 -4.486 291 HG22 VAL 40 HG11 VAL 40 2.798 5.120 -3.486 292 HG23 VAL 40 HG12 VAL 40 3.694 3.604 -3.327 293 H VAL 41 H VAL 41 4.228 8.802 -1.776 294 HA VAL 41 HA VAL 41 6.428 9.092 0.108 295 HB VAL 41 HB VAL 41 4.006 10.872 -0.260 296 HG11 VAL 41 HG21 VAL 41 4.988 11.084 1.957 297 HG12 VAL 41 HG22 VAL 41 5.334 12.528 1.007 298 HG13 VAL 41 HG23 VAL 41 6.586 11.313 1.252 299 HG21 VAL 41 HG13 VAL 41 6.811 11.163 -1.335 300 HG22 VAL 41 HG11 VAL 41 5.550 12.392 -1.433 301 HG23 VAL 41 HG12 VAL 41 5.352 10.857 -2.277 302 H LEU 42 H LEU 42 6.294 7.818 1.741 303 HA LEU 42 HA LEU 42 4.144 6.475 2.800 304 HB2 LEU 42 HB2 LEU 42 6.738 7.338 4.007 305 HB3 LEU 42 HB3 LEU 42 5.534 6.515 4.983 306 HG LEU 42 HG LEU 42 7.388 5.089 3.979 307 HD11 LEU 42 HD11 LEU 42 4.525 4.343 3.408 308 HD12 LEU 42 HD12 LEU 42 5.329 4.218 4.974 309 HD13 LEU 42 HD13 LEU 42 5.878 3.235 3.625 310 HD21 LEU 42 HD21 LEU 42 7.005 4.275 1.701 311 HD22 LEU 42 HD22 LEU 42 7.417 5.990 1.729 312 HD23 LEU 42 HD23 LEU 42 5.742 5.486 1.486 313 H SER 43 H SER 43 5.051 9.804 3.449 314 HA SER 43 HA SER 43 3.489 10.032 5.825 315 HB2 SER 43 HB3 SER 43 5.298 11.587 5.437 316 HB3 SER 43 HB2 SER 43 4.525 12.165 3.967 317 HG SER 43 HG SER 43 4.113 12.906 6.538 318 H THR 44 H THR 44 2.861 10.598 2.396 319 HA THR 44 HA THR 44 0.221 11.630 2.856 320 HB THR 44 HB THR 44 -0.130 11.384 0.438 321 HG1 THR 44 HG1 THR 44 2.138 9.767 0.666 322 HG21 THR 44 HG21 THR 44 1.640 12.893 -0.339 323 HG22 THR 44 HG22 THR 44 2.579 12.536 1.111 324 HG23 THR 44 HG23 THR 44 1.034 13.375 1.246 325 H ILE 45 H ILE 45 1.647 8.580 2.885 326 HA ILE 45 HA ILE 45 -0.663 7.039 2.217 327 HB ILE 45 HB ILE 45 1.901 6.269 3.593 328 HG12 ILE 45 HG13 ILE 45 2.214 7.070 1.281 329 HG13 ILE 45 HG12 ILE 45 2.556 5.356 1.427 330 HG21 ILE 45 HG21 ILE 45 -0.023 4.788 4.081 331 HG22 ILE 45 HG22 ILE 45 1.291 3.997 3.220 332 HG23 ILE 45 HG23 ILE 45 -0.164 4.475 2.352 333 HD11 ILE 45 HD11 ILE 45 0.075 6.601 0.259 334 HD12 ILE 45 HD12 ILE 45 0.300 4.869 0.506 335 HD13 ILE 45 HD13 ILE 45 1.350 5.744 -0.611 336 H ASP 46 H ASP 46 -2.359 6.762 3.498 337 HA ASP 46 HA ASP 46 -2.284 7.337 6.322 338 HB2 ASP 46 HB2 ASP 46 -4.260 7.877 4.992 339 HB3 ASP 46 HB3 ASP 46 -4.472 6.196 4.584 340 H LYS 47 H LYS 47 -2.459 4.523 4.239 341 HA LYS 47 HA LYS 47 -2.210 2.722 6.553 342 HB2 LYS 47 HB2 LYS 47 -4.210 2.596 4.308 343 HB3 LYS 47 HB3 LYS 47 -3.834 1.189 5.272 344 HG2 LYS 47 HG2 LYS 47 -4.986 3.778 6.253 345 HG3 LYS 47 HG3 LYS 47 -5.880 2.289 5.975 346 HD2 LYS 47 HD2 LYS 47 -4.388 1.208 7.673 347 HD3 LYS 47 HD3 LYS 47 -3.764 2.818 8.046 348 HE2 LYS 47 HE2 LYS 47 -6.661 2.036 8.135 349 HE3 LYS 47 HE3 LYS 47 -5.605 2.086 9.547 350 HZ1 LYS 47 HZ1 LYS 47 -5.429 4.393 9.410 351 HZ2 LYS 47 HZ2 LYS 47 -7.066 4.104 9.076 352 HZ3 LYS 47 HZ3 LYS 47 -5.987 4.457 7.811 353 H LEU 48 H LEU 48 -0.810 1.011 6.179 354 HA LEU 48 HA LEU 48 -0.307 0.372 3.352 355 HB2 LEU 48 HB2 LEU 48 1.822 0.892 4.131 356 HB3 LEU 48 HB3 LEU 48 1.516 0.160 5.705 357 HG LEU 48 HG LEU 48 1.402 -2.066 4.519 358 HD11 LEU 48 HD11 LEU 48 2.862 -0.653 2.329 359 HD12 LEU 48 HD12 LEU 48 1.127 -0.946 2.255 360 HD13 LEU 48 HD13 LEU 48 2.249 -2.302 2.355 361 HD21 LEU 48 HD21 LEU 48 3.569 -0.592 5.455 362 HD22 LEU 48 HD22 LEU 48 4.097 -1.335 3.946 363 HD23 LEU 48 HD23 LEU 48 3.455 -2.343 5.242 364 H GLN 49 H GLN 49 -0.579 -1.622 2.733 365 HA GLN 49 HA GLN 49 -1.748 -3.522 4.648 366 HB2 GLN 49 HB2 GLN 49 -2.442 -3.218 1.732 367 HB3 GLN 49 HB3 GLN 49 -3.170 -4.349 2.860 368 HG2 GLN 49 HG2 GLN 49 -3.399 -1.354 2.984 369 HG3 GLN 49 HG3 GLN 49 -4.635 -2.464 2.399 370 HE21 GLN 49 HE21 GLN 49 -5.659 -3.864 3.920 371 HE22 GLN 49 HE22 GLN 49 -5.709 -3.439 5.597 372 H ALA 50 H ALA 50 -1.414 -5.710 4.132 373 HA ALA 50 HA ALA 50 0.328 -6.519 2.000 374 HB1 ALA 50 HB1 ALA 50 1.304 -6.741 4.865 375 HB2 ALA 50 HB2 ALA 50 1.996 -5.678 3.633 376 HB3 ALA 50 HB3 ALA 50 2.096 -7.433 3.450 377 H THR 51 H THR 51 0.238 -8.811 1.757 378 HA THR 51 HA THR 51 -2.204 -10.026 2.372 379 HB THR 51 HB THR 51 -1.016 -12.185 1.873 380 HG1 THR 51 HG1 THR 51 1.110 -10.906 2.571 381 HG21 THR 51 HG21 THR 51 -2.010 -11.035 0.040 382 HG22 THR 51 HG22 THR 51 -0.406 -11.570 -0.480 383 HG23 THR 51 HG23 THR 51 -0.675 -9.885 -0.031 384 HA PRO 52 HA PRO 52 -1.710 -11.100 6.683 385 HB2 PRO 52 HB3 PRO 52 -3.998 -12.576 6.779 386 HB3 PRO 52 HB2 PRO 52 -4.001 -10.811 6.808 387 HG2 PRO 52 HG3 PRO 52 -4.425 -12.668 4.504 388 HG3 PRO 52 HG2 PRO 52 -5.350 -11.244 4.966 389 HD2 PRO 52 HD2 PRO 52 -3.536 -11.160 3.019 390 HD3 PRO 52 HD3 PRO 52 -3.764 -9.793 4.114 391 H ALA 53 H ALA 53 -1.554 -13.153 7.900 392 HA ALA 53 HA ALA 53 -0.074 -15.141 6.554 393 HB1 ALA 53 HB1 ALA 53 -0.236 -16.419 8.623 394 HB2 ALA 53 HB2 ALA 53 -1.509 -15.343 9.200 395 HB3 ALA 53 HB3 ALA 53 0.126 -14.728 8.961 396 H SER 54 H SER 54 -3.455 -14.660 7.030 397 HA SER 54 HA SER 54 -4.326 -17.292 6.375 398 HB2 SER 54 HB3 SER 54 -5.767 -14.636 6.223 399 HB3 SER 54 HB2 SER 54 -6.533 -16.215 6.080 400 HG SER 54 HG SER 54 -6.672 -15.378 8.208 401 H SER 55 H SER 55 -3.305 -14.552 4.523 402 HA SER 55 HA SER 55 -4.581 -15.265 2.076 403 HB2 SER 55 HB3 SER 55 -3.783 -12.944 2.520 404 HB3 SER 55 HB2 SER 55 -2.130 -13.545 2.532 405 HG SER 55 HG SER 55 -3.950 -13.468 0.359 406 H GLU 56 H GLU 56 -3.742 -16.362 0.311 407 HA GLU 56 HA GLU 56 -1.589 -18.226 0.905 408 HB2 GLU 56 HB2 GLU 56 -3.044 -18.118 -1.684 409 HB3 GLU 56 HB3 GLU 56 -2.333 -19.502 -0.878 410 HG2 GLU 56 HG3 GLU 56 -4.522 -19.919 -0.504 411 HG3 GLU 56 HG2 GLU 56 -4.161 -18.960 0.925 412 H LYS 57 H LYS 57 -1.848 -15.204 -0.299 413 HA LYS 57 HA LYS 57 0.295 -15.525 -2.290 414 HB2 LYS 57 HB2 LYS 57 -1.429 -13.102 -2.087 415 HB3 LYS 57 HB3 LYS 57 -0.588 -13.738 -3.487 416 HG2 LYS 57 HG2 LYS 57 -2.985 -15.004 -2.204 417 HG3 LYS 57 HG3 LYS 57 -3.041 -13.974 -3.630 418 HD2 LYS 57 HD2 LYS 57 -1.522 -16.545 -3.389 419 HD3 LYS 57 HD3 LYS 57 -3.110 -16.397 -4.128 420 HE2 LYS 57 HE2 LYS 57 -0.577 -15.050 -5.043 421 HE3 LYS 57 HE3 LYS 57 -1.333 -16.441 -5.809 422 HZ1 LYS 57 HZ1 LYS 57 -1.862 -14.381 -6.962 423 HZ2 LYS 57 HZ2 LYS 57 -2.556 -13.743 -5.560 424 HZ3 LYS 57 HZ3 LYS 57 -3.259 -15.081 -6.314 425 H MET 58 H MET 58 1.586 -13.385 -2.494 426 HA MET 58 HA MET 58 2.038 -12.166 0.155 427 HB2 MET 58 HB3 MET 58 4.368 -12.396 -1.628 428 HB3 MET 58 HB2 MET 58 4.283 -12.520 0.108 429 HG2 MET 58 HG3 MET 58 3.682 -14.689 -1.859 430 HG3 MET 58 HG2 MET 58 5.078 -14.567 -0.823 431 HE1 MET 58 HE1 MET 58 3.112 -17.119 -1.134 432 HE2 MET 58 HE2 MET 58 3.040 -17.654 0.546 433 HE3 MET 58 HE3 MET 58 4.574 -17.126 -0.147 434 H MET 59 H MET 59 1.377 -10.083 -0.159 435 HA MET 59 HA MET 59 2.570 -8.521 -2.279 436 HB2 MET 59 HB3 MET 59 -0.401 -9.020 -2.169 437 HB3 MET 59 HB2 MET 59 0.293 -7.618 -2.962 438 HG2 MET 59 HG3 MET 59 0.139 -8.956 -4.754 439 HG3 MET 59 HG2 MET 59 1.707 -9.504 -4.188 440 HE1 MET 59 HE1 MET 59 -1.912 -10.394 -5.022 441 HE2 MET 59 HE2 MET 59 -2.087 -10.199 -3.280 442 HE3 MET 59 HE3 MET 59 -2.264 -11.793 -4.007 443 H LEU 60 H LEU 60 1.865 -6.225 -2.167 444 HA LEU 60 HA LEU 60 1.178 -5.365 0.575 445 HB2 LEU 60 HB2 LEU 60 3.473 -4.728 -1.121 446 HB3 LEU 60 HB3 LEU 60 2.646 -3.312 -0.506 447 HG LEU 60 HG LEU 60 2.868 -4.524 1.792 448 HD11 LEU 60 HD11 LEU 60 4.957 -5.785 1.959 449 HD12 LEU 60 HD12 LEU 60 5.090 -5.777 0.198 450 HD13 LEU 60 HD13 LEU 60 3.746 -6.619 0.979 451 HD21 LEU 60 HD21 LEU 60 3.871 -2.408 1.265 452 HD22 LEU 60 HD22 LEU 60 5.146 -3.211 0.350 453 HD23 LEU 60 HD23 LEU 60 5.040 -3.432 2.095 454 H ARG 61 H ARG 61 0.144 -3.238 0.690 455 HA ARG 61 HA ARG 61 -0.403 -1.855 -1.783 456 HB2 ARG 61 HB2 ARG 61 -2.327 -3.374 -1.644 457 HB3 ARG 61 HB3 ARG 61 -2.724 -2.719 -0.062 458 HG2 ARG 61 HG2 ARG 61 -3.035 -0.501 -1.081 459 HG3 ARG 61 HG3 ARG 61 -2.715 -1.208 -2.665 460 HD2 ARG 61 HD2 ARG 61 -5.118 -0.958 -2.221 461 HD3 ARG 61 HD3 ARG 61 -4.655 -2.637 -2.445 462 HE ARG 61 HE ARG 61 -4.544 -2.133 0.276 463 HH11 ARG 61 HH11 ARG 61 -6.972 -2.225 -2.243 464 HH12 ARG 61 HH12 ARG 61 -8.278 -2.568 -1.147 465 HH21 ARG 61 HH21 ARG 61 -6.258 -2.588 1.715 466 HH22 ARG 61 HH22 ARG 61 -7.872 -2.764 1.105 467 H LEU 62 H LEU 62 0.205 0.171 -1.341 468 HA LEU 62 HA LEU 62 -0.015 1.222 1.389 469 HB2 LEU 62 HB2 LEU 62 1.600 1.886 -1.029 470 HB3 LEU 62 HB3 LEU 62 1.283 3.168 0.107 471 HG LEU 62 HG LEU 62 2.437 0.535 0.990 472 HD11 LEU 62 HD11 LEU 62 3.893 1.558 -0.759 473 HD12 LEU 62 HD12 LEU 62 4.652 1.438 0.833 474 HD13 LEU 62 HD13 LEU 62 4.023 2.988 0.263 475 HD21 LEU 62 HD21 LEU 62 3.178 1.754 2.891 476 HD22 LEU 62 HD22 LEU 62 1.462 2.095 2.653 477 HD23 LEU 62 HD23 LEU 62 2.676 3.281 2.170 478 H ILE 63 H ILE 63 -1.875 2.212 1.853 479 HA ILE 63 HA ILE 63 -3.571 3.383 -0.194 480 HB ILE 63 HB ILE 63 -4.248 3.680 2.678 481 HG12 ILE 63 HG13 ILE 63 -3.249 1.411 2.600 482 HG13 ILE 63 HG12 ILE 63 -4.960 1.406 3.005 483 HG21 ILE 63 HG21 ILE 63 -6.472 3.285 1.966 484 HG22 ILE 63 HG22 ILE 63 -5.934 2.632 0.424 485 HG23 ILE 63 HG23 ILE 63 -5.727 4.349 0.772 486 HD11 ILE 63 HD11 ILE 63 -5.485 0.742 0.734 487 HD12 ILE 63 HD12 ILE 63 -4.402 -0.394 1.538 488 HD13 ILE 63 HD13 ILE 63 -3.765 0.738 0.345 489 H GLY 64 H GLY 64 -3.340 5.499 -0.725 490 HA2 GLY 64 HA3 GLY 64 -1.946 7.311 1.048 491 HA3 GLY 64 HA2 GLY 64 -2.608 7.707 -0.523 492 H LYS 65 H LYS 65 -2.825 9.203 1.991 493 HA LYS 65 HA LYS 65 -5.431 8.969 3.049 494 HB2 LYS 65 HB2 LYS 65 -3.413 11.179 2.962 495 HB3 LYS 65 HB3 LYS 65 -5.060 11.548 3.444 496 HG2 LYS 65 HG2 LYS 65 -4.093 11.167 5.475 497 HG3 LYS 65 HG3 LYS 65 -4.696 9.570 5.112 498 HD2 LYS 65 HD2 LYS 65 -2.602 8.728 4.799 499 HD3 LYS 65 HD3 LYS 65 -1.950 10.256 4.248 500 HE2 LYS 65 HE2 LYS 65 -2.125 11.112 6.565 501 HE3 LYS 65 HE3 LYS 65 -2.673 9.523 7.075 502 HZ1 LYS 65 HZ1 LYS 65 -0.342 9.775 7.522 503 HZ2 LYS 65 HZ2 LYS 65 -0.022 10.186 5.912 504 HZ3 LYS 65 HZ3 LYS 65 -0.539 8.618 6.300 505 H VAL 66 H VAL 66 -7.359 9.740 2.386 506 HA VAL 66 HA VAL 66 -7.495 11.078 -0.192 507 HB VAL 66 HB VAL 66 -9.043 9.233 0.246 508 HG11 VAL 66 HG21 VAL 66 -9.311 9.501 2.649 509 HG12 VAL 66 HG22 VAL 66 -10.878 9.468 1.840 510 HG13 VAL 66 HG23 VAL 66 -10.201 11.002 2.387 511 HG21 VAL 66 HG13 VAL 66 -10.421 11.892 -0.032 512 HG22 VAL 66 HG11 VAL 66 -11.123 10.328 -0.448 513 HG23 VAL 66 HG12 VAL 66 -9.722 10.930 -1.335 514 H ASP 67 H ASP 67 -8.810 13.007 -0.402 515 HA ASP 67 HA ASP 67 -7.996 14.899 1.624 516 HB2 ASP 67 HB2 ASP 67 -7.697 15.449 -0.734 517 HB3 ASP 67 HB3 ASP 67 -9.432 15.316 -1.003 518 H GLU 68 H GLU 68 -9.243 14.500 3.386 519 HA GLU 68 HA GLU 68 -12.119 14.372 3.199 520 HB2 GLU 68 HB2 GLU 68 -10.186 14.171 5.475 521 HB3 GLU 68 HB3 GLU 68 -11.919 14.208 5.732 522 HG2 GLU 68 HG3 GLU 68 -10.477 12.179 4.048 523 HG3 GLU 68 HG2 GLU 68 -10.954 11.944 5.728 524 H SER 69 H SER 69 -10.009 16.894 3.183 525 HA SER 69 HA SER 69 -10.884 18.613 5.182 526 HB2 SER 69 HB3 SER 69 -10.021 20.438 3.717 527 HB3 SER 69 HB2 SER 69 -8.896 19.098 3.927 528 HG SER 69 HG SER 69 -9.094 18.575 1.871 529 H LYS 70 H LYS 70 -12.153 18.173 1.887 530 HA LYS 70 HA LYS 70 -14.731 19.045 2.851 531 HB2 LYS 70 HB2 LYS 70 -14.847 20.388 0.574 532 HB3 LYS 70 HB3 LYS 70 -14.267 21.135 2.050 533 HG2 LYS 70 HG2 LYS 70 -12.798 21.766 0.304 534 HG3 LYS 70 HG3 LYS 70 -11.941 20.596 1.300 535 HD2 LYS 70 HD2 LYS 70 -12.300 18.865 -0.300 536 HD3 LYS 70 HD3 LYS 70 -13.389 19.882 -1.236 537 HE2 LYS 70 HE2 LYS 70 -11.241 19.795 -2.325 538 HE3 LYS 70 HE3 LYS 70 -11.516 21.416 -1.692 539 HZ1 LYS 70 HZ1 LYS 70 -10.158 20.782 0.254 540 HZ2 LYS 70 HZ2 LYS 70 -9.293 20.757 -1.196 541 HZ3 LYS 70 HZ3 LYS 70 -9.810 19.302 -0.495 542 H LYS 71 H LYS 71 -16.406 18.066 1.789 543 HA LYS 71 HA LYS 71 -15.892 15.767 0.294 544 HB2 LYS 71 HB2 LYS 71 -18.440 17.304 0.724 545 HB3 LYS 71 HB3 LYS 71 -18.368 15.764 -0.108 546 HG2 LYS 71 HG2 LYS 71 -17.521 14.704 1.911 547 HG3 LYS 71 HG3 LYS 71 -17.561 16.257 2.749 548 HD2 LYS 71 HD2 LYS 71 -19.988 15.056 1.469 549 HD3 LYS 71 HD3 LYS 71 -19.537 14.697 3.137 550 HE2 LYS 71 HE2 LYS 71 -20.090 17.418 1.982 551 HE3 LYS 71 HE3 LYS 71 -21.211 16.484 2.966 552 HZ1 LYS 71 HZ1 LYS 71 -20.010 18.185 4.239 553 HZ2 LYS 71 HZ2 LYS 71 -18.548 17.421 3.878 554 HZ3 LYS 71 HZ3 LYS 71 -19.701 16.626 4.815 555 H ARG 72 H ARG 72 -15.782 15.409 -1.818 556 HA ARG 72 HA ARG 72 -15.570 17.645 -3.603 557 HB2 ARG 72 HB2 ARG 72 -14.492 16.196 -4.994 558 HB3 ARG 72 HB3 ARG 72 -14.361 15.232 -3.531 559 HG2 ARG 72 HG2 ARG 72 -16.179 13.858 -4.186 560 HG3 ARG 72 HG3 ARG 72 -16.566 14.917 -5.540 561 HD2 ARG 72 HD2 ARG 72 -14.069 13.261 -5.202 562 HD3 ARG 72 HD3 ARG 72 -15.380 12.963 -6.341 563 HE ARG 72 HE ARG 72 -14.515 15.492 -6.923 564 HH11 ARG 72 HH11 ARG 72 -13.047 12.319 -6.819 565 HH12 ARG 72 HH12 ARG 72 -11.819 12.707 -7.979 566 HH21 ARG 72 HH21 ARG 72 -12.903 16.008 -8.456 567 HH22 ARG 72 HH22 ARG 72 -11.743 14.808 -8.922 568 H LYS 73 H LYS 73 -16.767 17.330 -5.837 569 HA LYS 73 HA LYS 73 -19.529 16.555 -5.393 570 HB2 LYS 73 HB2 LYS 73 -19.854 19.002 -6.591 571 HB3 LYS 73 HB3 LYS 73 -20.192 18.611 -4.916 572 HG2 LYS 73 HG2 LYS 73 -18.878 20.543 -4.898 573 HG3 LYS 73 HG3 LYS 73 -17.817 19.229 -4.406 574 HD2 LYS 73 HD2 LYS 73 -17.148 19.106 -6.875 575 HD3 LYS 73 HD3 LYS 73 -17.902 20.696 -7.024 576 HE2 LYS 73 HE2 LYS 73 -15.678 19.957 -5.129 577 HE3 LYS 73 HE3 LYS 73 -15.488 20.862 -6.632 578 HZ1 LYS 73 HZ1 LYS 73 -15.549 22.351 -4.756 579 HZ2 LYS 73 HZ2 LYS 73 -17.038 21.731 -4.252 580 HZ3 LYS 73 HZ3 LYS 73 -16.929 22.590 -5.702 581 H ASP 74 H ASP 74 -20.766 16.269 -7.248 582 HA ASP 74 HA ASP 74 -19.169 15.430 -9.507 583 HB2 ASP 74 HB2 ASP 74 -21.261 14.302 -8.275 584 HB3 ASP 74 HB3 ASP 74 -22.124 15.205 -9.505 585 H ASN 75 H ASN 75 -21.297 15.655 -11.451 586 HA ASN 75 HA ASN 75 -20.491 17.997 -12.711 587 HB2 ASN 75 HB2 ASN 75 -21.393 16.017 -13.848 588 HB3 ASN 75 HB3 ASN 75 -22.992 16.384 -13.211 589 HD21 ASN 75 HD21 ASN 75 -24.140 18.146 -14.055 590 HD22 ASN 75 HD22 ASN 75 -23.679 18.890 -15.544 591 H GLU 76 H GLU 76 -23.149 17.497 -10.457 592 HA GLU 76 HA GLU 76 -24.417 19.970 -11.294 593 HB2 GLU 76 HB2 GLU 76 -25.183 18.021 -9.127 594 HB3 GLU 76 HB3 GLU 76 -26.140 19.404 -9.646 595 HG2 GLU 76 HG3 GLU 76 -25.359 17.075 -11.350 596 HG3 GLU 76 HG2 GLU 76 -26.949 17.327 -10.632 597 H GLY 77 H GLY 77 -22.078 18.909 -9.168 598 HA2 GLY 77 HA3 GLY 77 -20.791 20.225 -7.692 599 HA3 GLY 77 HA2 GLY 77 -22.019 21.486 -7.784 600 H ASN 78 H ASN 78 -22.563 18.124 -7.205 601 HA ASN 78 HA ASN 78 -24.271 18.802 -4.985 602 HB2 ASN 78 HB2 ASN 78 -24.783 16.243 -5.288 603 HB3 ASN 78 HB3 ASN 78 -25.322 17.390 -6.515 604 HD21 ASN 78 HD21 ASN 78 -25.284 16.265 -8.270 605 HD22 ASN 78 HD22 ASN 78 -23.868 15.535 -8.919 606 H GLU 79 H GLU 79 -22.574 15.731 -5.137 607 HA GLU 79 HA GLU 79 -20.380 16.321 -3.551 608 HB2 GLU 79 HB2 GLU 79 -20.983 15.298 -1.403 609 HB3 GLU 79 HB3 GLU 79 -21.892 16.768 -1.715 610 HG2 GLU 79 HG3 GLU 79 -23.836 15.479 -2.277 611 HG3 GLU 79 HG2 GLU 79 -22.899 13.991 -2.149 612 H VAL 80 H VAL 80 -18.976 14.769 -3.846 613 HA VAL 80 HA VAL 80 -19.947 11.989 -4.118 614 HB VAL 80 HB VAL 80 -17.367 12.843 -5.359 615 HG11 VAL 80 HG21 VAL 80 -19.351 10.694 -6.076 616 HG12 VAL 80 HG22 VAL 80 -17.858 10.474 -5.164 617 HG13 VAL 80 HG23 VAL 80 -17.793 10.966 -6.855 618 HG21 VAL 80 HG13 VAL 80 -20.040 13.081 -6.740 619 HG22 VAL 80 HG11 VAL 80 -18.464 13.250 -7.514 620 HG23 VAL 80 HG12 VAL 80 -18.976 14.416 -6.292 621 H VAL 81 H VAL 81 -18.672 10.459 -3.044 622 HA VAL 81 HA VAL 81 -16.540 11.606 -1.392 623 HB VAL 81 HB VAL 81 -18.239 10.648 0.017 624 HG11 VAL 81 HG21 VAL 81 -17.880 8.082 -1.523 625 HG12 VAL 81 HG22 VAL 81 -19.295 9.134 -1.558 626 HG13 VAL 81 HG23 VAL 81 -18.866 8.282 -0.075 627 HG21 VAL 81 HG13 VAL 81 -15.936 10.366 0.742 628 HG22 VAL 81 HG11 VAL 81 -15.842 8.827 -0.112 629 HG23 VAL 81 HG12 VAL 81 -16.927 9.005 1.266 630 HA PRO 82 HA PRO 82 -14.134 9.371 -4.449 631 HB2 PRO 82 HB3 PRO 82 -11.870 10.723 -3.985 632 HB3 PRO 82 HB2 PRO 82 -13.171 11.369 -4.977 633 HG2 PRO 82 HG3 PRO 82 -12.514 11.922 -2.128 634 HG3 PRO 82 HG2 PRO 82 -12.978 13.059 -3.392 635 HD2 PRO 82 HD2 PRO 82 -14.681 12.169 -1.529 636 HD3 PRO 82 HD3 PRO 82 -15.185 12.569 -3.169 637 H LYS 83 H LYS 83 -12.929 7.600 -4.248 638 HA LYS 83 HA LYS 83 -12.106 6.721 -1.644 639 HB2 LYS 83 HB2 LYS 83 -12.853 4.945 -2.861 640 HB3 LYS 83 HB3 LYS 83 -12.171 5.522 -4.376 641 HG2 LYS 83 HG2 LYS 83 -9.931 4.879 -3.534 642 HG3 LYS 83 HG3 LYS 83 -10.695 4.238 -2.080 643 HD2 LYS 83 HD2 LYS 83 -10.346 2.386 -3.515 644 HD3 LYS 83 HD3 LYS 83 -12.068 2.757 -3.598 645 HE2 LYS 83 HE2 LYS 83 -11.310 2.327 -5.818 646 HE3 LYS 83 HE3 LYS 83 -11.606 4.059 -5.680 647 HZ1 LYS 83 HZ1 LYS 83 -8.958 2.718 -5.554 648 HZ2 LYS 83 HZ2 LYS 83 -9.213 4.376 -5.345 649 HZ3 LYS 83 HZ3 LYS 83 -9.547 3.654 -6.834 650 HA PRO 84 HA PRO 84 -8.031 8.376 -1.604 651 HB2 PRO 84 HB3 PRO 84 -7.283 5.949 -0.139 652 HB3 PRO 84 HB2 PRO 84 -7.220 7.637 0.369 653 HG2 PRO 84 HG3 PRO 84 -9.030 5.834 1.312 654 HG3 PRO 84 HG2 PRO 84 -9.310 7.582 1.249 655 HD2 PRO 84 HD2 PRO 84 -10.436 5.430 -0.457 656 HD3 PRO 84 HD3 PRO 84 -11.087 7.032 -0.067 657 H GLN 85 H GLN 85 -6.308 8.155 -2.940 658 HA GLN 85 HA GLN 85 -6.194 5.874 -4.665 659 HB2 GLN 85 HB2 GLN 85 -4.455 6.951 -5.856 660 HB3 GLN 85 HB3 GLN 85 -5.600 8.205 -5.409 661 HG2 GLN 85 HG2 GLN 85 -3.065 7.604 -3.938 662 HG3 GLN 85 HG3 GLN 85 -3.233 8.861 -5.160 663 HE21 GLN 85 HE21 GLN 85 -4.031 7.844 -1.955 664 HE22 GLN 85 HE22 GLN 85 -4.641 9.358 -1.396 665 H ARG 86 H ARG 86 -5.438 4.064 -4.138 666 HA ARG 86 HA ARG 86 -3.249 3.924 -2.198 667 HB2 ARG 86 HB2 ARG 86 -4.139 1.566 -1.750 668 HB3 ARG 86 HB3 ARG 86 -5.126 2.914 -1.197 669 HG2 ARG 86 HG2 ARG 86 -6.465 2.697 -3.267 670 HG3 ARG 86 HG3 ARG 86 -5.594 1.215 -3.624 671 HD2 ARG 86 HD2 ARG 86 -6.343 0.405 -1.387 672 HD3 ARG 86 HD3 ARG 86 -7.377 1.816 -1.285 673 HE ARG 86 HE ARG 86 -7.632 -0.087 -3.515 674 HH11 ARG 86 HH11 ARG 86 -9.037 1.656 -0.827 675 HH12 ARG 86 HH12 ARG 86 -10.649 1.106 -1.147 676 HH21 ARG 86 HH21 ARG 86 -9.746 -0.843 -3.921 677 HH22 ARG 86 HH22 ARG 86 -11.052 -0.330 -2.902 678 H HIS 87 H HIS 87 -1.630 2.406 -2.525 679 HA HIS 87 HA HIS 87 -1.182 1.896 -5.396 680 HB2 HIS 87 HB3 HIS 87 0.920 2.370 -3.275 681 HB3 HIS 87 HB2 HIS 87 1.121 2.458 -5.012 682 HD1 HIS 87 HD1 HIS 87 -0.537 4.505 -6.099 683 HD2 HIS 87 HD2 HIS 87 0.707 4.783 -2.142 684 HE1 HIS 87 HE1 HIS 87 -0.801 6.926 -5.468 685 HE2 HIS 87 HE2 HIS 87 0.058 7.092 -3.107 686 H MET 88 H MET 88 -1.282 -0.265 -5.799 687 HA MET 88 HA MET 88 -0.524 -2.051 -3.599 688 HB2 MET 88 HB3 MET 88 -2.818 -2.357 -4.437 689 HB3 MET 88 HB2 MET 88 -2.173 -2.713 -6.037 690 HG2 MET 88 HG3 MET 88 -0.893 -4.583 -4.998 691 HG3 MET 88 HG2 MET 88 -1.771 -4.288 -3.520 692 HE1 MET 88 HE1 MET 88 -5.362 -5.422 -4.259 693 HE2 MET 88 HE2 MET 88 -4.788 -3.755 -4.337 694 HE3 MET 88 HE3 MET 88 -4.198 -4.833 -3.071 695 H PHE 89 H PHE 89 1.245 -3.208 -3.708 696 HA PHE 89 HA PHE 89 2.500 -3.591 -6.338 697 HB2 PHE 89 HB3 PHE 89 4.102 -3.868 -3.851 698 HB3 PHE 89 HB2 PHE 89 4.558 -3.189 -5.412 699 HD1 PHE 89 HD2 PHE 89 3.647 -0.910 -6.027 700 HD2 PHE 89 HD1 PHE 89 3.520 -2.471 -2.075 701 HE1 PHE 89 HE2 PHE 89 3.375 1.363 -5.146 702 HE2 PHE 89 HE1 PHE 89 3.255 -0.197 -1.185 703 HZ PHE 89 HZ PHE 89 3.089 1.702 -2.692 704 H SER 90 H SER 90 2.505 -5.606 -6.994 705 HA SER 90 HA SER 90 1.793 -7.717 -5.148 706 HB2 SER 90 HB3 SER 90 2.232 -7.857 -8.138 707 HB3 SER 90 HB2 SER 90 1.442 -9.067 -7.135 708 HG SER 90 HG SER 90 0.539 -6.447 -7.750 709 H PHE 91 H PHE 91 3.260 -8.941 -4.189 710 HA PHE 91 HA PHE 91 5.910 -9.219 -5.427 711 HB2 PHE 91 HB3 PHE 91 4.964 -9.431 -2.574 712 HB3 PHE 91 HB2 PHE 91 6.451 -10.226 -3.079 713 HD1 PHE 91 HD2 PHE 91 8.057 -8.648 -4.499 714 HD2 PHE 91 HD1 PHE 91 5.160 -7.325 -1.686 715 HE1 PHE 91 HE2 PHE 91 9.298 -6.545 -4.218 716 HE2 PHE 91 HE1 PHE 91 6.397 -5.220 -1.403 717 HZ PHE 91 HZ PHE 91 8.466 -4.825 -2.671 718 H ASN 92 H ASN 92 6.918 -11.446 -4.799 719 HA ASN 92 HA ASN 92 4.884 -13.509 -5.318 720 HB2 ASN 92 HB2 ASN 92 7.710 -13.426 -6.394 721 HB3 ASN 92 HB3 ASN 92 6.523 -14.688 -6.704 722 HD21 ASN 92 HD21 ASN 92 4.715 -14.194 -8.023 723 HD22 ASN 92 HD22 ASN 92 4.757 -12.871 -9.130 724 H ASN 93 H ASN 93 7.096 -12.346 -3.160 725 HA ASN 93 HA ASN 93 7.475 -15.010 -1.986 726 HB2 ASN 93 HB2 ASN 93 9.599 -14.254 -2.935 727 HB3 ASN 93 HB3 ASN 93 9.478 -12.742 -2.056 728 HD21 ASN 93 HD21 ASN 93 9.941 -16.195 -1.726 729 HD22 ASN 93 HD22 ASN 93 10.671 -16.135 -0.160 730 H ARG 94 H ARG 94 7.130 -15.227 0.098 731 HA ARG 94 HA ARG 94 5.414 -13.381 1.339 732 HB2 ARG 94 HB2 ARG 94 5.215 -15.759 1.742 733 HB3 ARG 94 HB3 ARG 94 6.822 -15.814 2.422 734 HG2 ARG 94 HG2 ARG 94 5.288 -15.907 4.215 735 HG3 ARG 94 HG3 ARG 94 6.041 -14.308 4.238 736 HD2 ARG 94 HD2 ARG 94 4.102 -13.420 3.022 737 HD3 ARG 94 HD3 ARG 94 3.346 -15.007 3.112 738 HE ARG 94 HE ARG 94 4.054 -14.181 5.701 739 HH11 ARG 94 HH11 ARG 94 1.750 -13.472 3.175 740 HH12 ARG 94 HH12 ARG 94 0.588 -12.771 4.255 741 HH21 ARG 94 HH21 ARG 94 2.523 -13.288 7.135 742 HH22 ARG 94 HH22 ARG 94 1.028 -12.668 6.513 743 H THR 95 H THR 95 8.827 -14.043 1.631 744 HA THR 95 HA THR 95 9.164 -12.640 4.106 745 HB THR 95 HB THR 95 11.200 -13.626 2.103 746 HG1 THR 95 HG1 THR 95 10.530 -14.747 4.636 747 HG21 THR 95 HG21 THR 95 11.576 -12.695 4.949 748 HG22 THR 95 HG22 THR 95 12.068 -11.817 3.502 749 HG23 THR 95 HG23 THR 95 12.829 -13.361 3.897 750 H VAL 96 H VAL 96 10.264 -12.003 0.779 751 HA VAL 96 HA VAL 96 11.267 -9.485 0.933 752 HB VAL 96 HB VAL 96 9.324 -10.445 -1.195 753 HG11 VAL 96 HG21 VAL 96 10.449 -8.795 -2.642 754 HG12 VAL 96 HG22 VAL 96 11.387 -8.232 -1.257 755 HG13 VAL 96 HG23 VAL 96 9.631 -8.032 -1.275 756 HG21 VAL 96 HG13 VAL 96 12.346 -10.610 -1.062 757 HG22 VAL 96 HG11 VAL 96 11.352 -11.080 -2.442 758 HG23 VAL 96 HG12 VAL 96 11.221 -11.961 -0.919 759 H MET 97 H MET 97 7.813 -10.193 0.372 760 HA MET 97 HA MET 97 7.072 -7.470 0.574 761 HB2 MET 97 HB3 MET 97 4.810 -8.224 0.476 762 HB3 MET 97 HB2 MET 97 5.781 -9.222 -0.602 763 HG2 MET 97 HG3 MET 97 4.952 -10.992 0.351 764 HG3 MET 97 HG2 MET 97 5.740 -10.552 1.865 765 HE1 MET 97 HE1 MET 97 4.483 -10.068 3.959 766 HE2 MET 97 HE2 MET 97 2.933 -9.225 4.035 767 HE3 MET 97 HE3 MET 97 4.343 -8.424 3.339 768 H ASP 98 H ASP 98 7.479 -10.007 2.952 769 HA ASP 98 HA ASP 98 6.098 -8.692 5.067 770 HB2 ASP 98 HB2 ASP 98 6.685 -11.071 5.213 771 HB3 ASP 98 HB3 ASP 98 8.399 -10.662 5.176 772 H ASN 99 H ASN 99 9.242 -8.498 3.671 773 HA ASN 99 HA ASN 99 10.474 -6.950 5.755 774 HB2 ASN 99 HB2 ASN 99 11.226 -7.587 2.890 775 HB3 ASN 99 HB3 ASN 99 12.242 -6.611 3.935 776 HD21 ASN 99 HD21 ASN 99 12.458 -9.326 2.619 777 HD22 ASN 99 HD22 ASN 99 12.972 -10.361 3.905 778 H ILE 100 H ILE 100 9.363 -6.303 2.472 779 HA ILE 100 HA ILE 100 9.703 -3.544 2.394 780 HB ILE 100 HB ILE 100 7.601 -5.287 1.092 781 HG12 ILE 100 HG13 ILE 100 9.965 -5.797 0.558 782 HG13 ILE 100 HG12 ILE 100 9.067 -5.216 -0.840 783 HG21 ILE 100 HG21 ILE 100 7.138 -3.505 -0.423 784 HG22 ILE 100 HG22 ILE 100 8.436 -2.526 0.243 785 HG23 ILE 100 HG23 ILE 100 6.997 -2.844 1.208 786 HD11 ILE 100 HD11 ILE 100 11.045 -3.696 0.824 787 HD12 ILE 100 HD12 ILE 100 10.008 -2.949 -0.391 788 HD13 ILE 100 HD13 ILE 100 11.191 -4.172 -0.868 789 H LYS 101 H LYS 101 6.781 -5.396 3.260 790 HA LYS 101 HA LYS 101 5.133 -3.291 3.975 791 HB2 LYS 101 HB2 LYS 101 4.128 -5.390 3.784 792 HB3 LYS 101 HB3 LYS 101 5.323 -6.172 4.810 793 HG2 LYS 101 HG2 LYS 101 4.189 -4.436 6.550 794 HG3 LYS 101 HG3 LYS 101 2.824 -4.816 5.502 795 HD2 LYS 101 HD2 LYS 101 2.654 -6.499 7.069 796 HD3 LYS 101 HD3 LYS 101 3.644 -7.285 5.838 797 HE2 LYS 101 HE2 LYS 101 5.669 -6.583 7.134 798 HE3 LYS 101 HE3 LYS 101 4.582 -6.004 8.399 799 HZ1 LYS 101 HZ1 LYS 101 3.662 -8.418 8.253 800 HZ2 LYS 101 HZ2 LYS 101 5.062 -8.095 9.137 801 HZ3 LYS 101 HZ3 LYS 101 5.184 -8.766 7.591 802 H MET 102 H MET 102 7.380 -5.163 6.040 803 HA MET 102 HA MET 102 6.653 -3.783 8.414 804 HB2 MET 102 HB3 MET 102 8.309 -5.056 9.510 805 HB3 MET 102 HB2 MET 102 7.723 -6.098 8.225 806 HG2 MET 102 HG3 MET 102 9.961 -6.433 8.077 807 HG3 MET 102 HG2 MET 102 9.734 -5.156 6.894 808 HE1 MET 102 HE1 MET 102 11.512 -4.565 11.102 809 HE2 MET 102 HE2 MET 102 10.995 -6.114 10.435 810 HE3 MET 102 HE3 MET 102 9.798 -4.886 10.844 811 H THR 103 H THR 103 8.869 -3.132 5.856 812 HA THR 103 HA THR 103 10.514 -1.238 7.165 813 HB THR 103 HB THR 103 9.742 -1.546 4.256 814 HG1 THR 103 HG1 THR 103 11.002 -3.253 4.782 815 HG21 THR 103 HG21 THR 103 11.892 0.174 5.466 816 HG22 THR 103 HG22 THR 103 10.419 0.736 4.664 817 HG23 THR 103 HG23 THR 103 11.660 -0.133 3.742 818 H LEU 104 H LEU 104 7.639 -0.964 5.134 819 HA LEU 104 HA LEU 104 7.516 1.858 5.238 820 HB2 LEU 104 HB2 LEU 104 5.341 -0.138 4.609 821 HB3 LEU 104 HB3 LEU 104 5.288 1.561 4.241 822 HG LEU 104 HG LEU 104 7.481 -0.108 3.093 823 HD11 LEU 104 HD11 LEU 104 4.658 0.027 2.108 824 HD12 LEU 104 HD12 LEU 104 5.570 -1.411 2.561 825 HD13 LEU 104 HD13 LEU 104 6.023 -0.494 1.125 826 HD21 LEU 104 HD21 LEU 104 7.514 2.322 2.822 827 HD22 LEU 104 HD22 LEU 104 5.929 2.226 2.051 828 HD23 LEU 104 HD23 LEU 104 7.332 1.479 1.287 829 H GLN 105 H GLN 105 5.406 -0.581 6.707 830 HA GLN 105 HA GLN 105 3.815 0.958 8.272 831 HB2 GLN 105 HB2 GLN 105 4.984 -1.747 8.811 832 HB3 GLN 105 HB3 GLN 105 3.894 -0.990 9.962 833 HG2 GLN 105 HG2 GLN 105 2.191 -0.824 8.191 834 HG3 GLN 105 HG3 GLN 105 3.293 -1.654 7.097 835 HE21 GLN 105 HE21 GLN 105 1.705 -3.272 6.828 836 HE22 GLN 105 HE22 GLN 105 1.501 -4.507 8.018 837 H GLN 106 H GLN 106 7.215 0.296 8.936 838 HA GLN 106 HA GLN 106 7.153 1.122 11.654 839 HB2 GLN 106 HB2 GLN 106 9.244 0.659 9.610 840 HB3 GLN 106 HB3 GLN 106 9.671 1.524 11.059 841 HG2 GLN 106 HG2 GLN 106 8.865 -0.386 12.397 842 HG3 GLN 106 HG3 GLN 106 8.544 -1.253 10.895 843 HE21 GLN 106 HE21 GLN 106 10.265 -1.954 9.640 844 HE22 GLN 106 HE22 GLN 106 11.872 -2.073 10.274 845 H ILE 107 H ILE 107 7.363 2.628 8.612 846 HA ILE 107 HA ILE 107 8.143 5.257 9.530 847 HB ILE 107 HB ILE 107 7.034 4.255 6.893 848 HG12 ILE 107 HG13 ILE 107 9.911 4.866 7.521 849 HG13 ILE 107 HG12 ILE 107 9.233 3.258 7.676 850 HG21 ILE 107 HG21 ILE 107 7.769 6.286 5.912 851 HG22 ILE 107 HG22 ILE 107 8.494 6.822 7.428 852 HG23 ILE 107 HG23 ILE 107 6.740 6.665 7.290 853 HD11 ILE 107 HD11 ILE 107 9.313 4.877 5.145 854 HD12 ILE 107 HD12 ILE 107 8.730 3.224 5.315 855 HD13 ILE 107 HD13 ILE 107 10.433 3.585 5.573 856 H ILE 108 H ILE 108 5.284 3.581 8.350 857 HA ILE 108 HA ILE 108 3.546 5.792 8.216 858 HB ILE 108 HB ILE 108 2.753 2.932 8.774 859 HG12 ILE 108 HG13 ILE 108 4.211 4.095 6.547 860 HG13 ILE 108 HG12 ILE 108 3.998 2.414 6.980 861 HG21 ILE 108 HG21 ILE 108 1.364 5.316 7.673 862 HG22 ILE 108 HG22 ILE 108 0.768 4.046 8.752 863 HG23 ILE 108 HG23 ILE 108 0.946 3.731 7.027 864 HD11 ILE 108 HD11 ILE 108 3.108 2.626 4.847 865 HD12 ILE 108 HD12 ILE 108 2.279 4.133 5.244 866 HD13 ILE 108 HD13 ILE 108 1.700 2.602 5.913 867 H SER 109 H SER 109 3.835 3.270 10.684 868 HA SER 109 HA SER 109 2.131 4.381 12.603 869 HB2 SER 109 HB3 SER 109 2.939 2.068 12.734 870 HB3 SER 109 HB2 SER 109 4.585 2.641 12.988 871 HG SER 109 HG SER 109 2.478 3.371 14.727 872 H ARG 110 H ARG 110 5.370 5.110 11.687 873 HA ARG 110 HA ARG 110 6.160 6.601 13.958 874 HB2 ARG 110 HB2 ARG 110 8.020 6.018 12.743 875 HB3 ARG 110 HB3 ARG 110 7.144 6.043 11.243 876 HG2 ARG 110 HG2 ARG 110 7.289 8.369 11.083 877 HG3 ARG 110 HG3 ARG 110 8.047 8.497 12.677 878 HD2 ARG 110 HD2 ARG 110 9.882 7.053 11.810 879 HD3 ARG 110 HD3 ARG 110 9.153 7.166 10.216 880 HE ARG 110 HE ARG 110 9.462 9.760 10.981 881 HH11 ARG 110 HH11 ARG 110 11.624 7.027 10.725 882 HH12 ARG 110 HH12 ARG 110 13.005 7.995 10.327 883 HH21 ARG 110 HH21 ARG 110 11.274 11.043 10.465 884 HH22 ARG 110 HH22 ARG 110 12.809 10.282 10.177 885 H TYR 111 H TYR 111 4.473 7.290 10.985 886 HA TYR 111 HA TYR 111 4.532 10.137 11.446 887 HB2 TYR 111 HB3 TYR 111 3.696 8.381 9.202 888 HB3 TYR 111 HB2 TYR 111 2.971 9.980 9.306 889 HD1 TYR 111 HD2 TYR 111 4.473 11.999 9.307 890 HD2 TYR 111 HD1 TYR 111 5.909 8.096 8.488 891 HE1 TYR 111 HE2 TYR 111 6.514 12.965 8.329 892 HE2 TYR 111 HE1 TYR 111 7.960 9.038 7.509 893 HH TYR 111 HH TYR 111 8.844 12.281 7.908 894 H LYS 112 H LYS 112 2.335 7.462 11.801 895 HA LYS 112 HA LYS 112 0.042 9.125 12.311 896 HB2 LYS 112 HB2 LYS 112 0.563 6.197 12.835 897 HB3 LYS 112 HB3 LYS 112 -0.981 6.989 13.134 898 HG2 LYS 112 HG2 LYS 112 -1.549 6.896 10.994 899 HG3 LYS 112 HG3 LYS 112 0.014 7.530 10.479 900 HD2 LYS 112 HD2 LYS 112 0.144 5.472 9.545 901 HD3 LYS 112 HD3 LYS 112 0.800 5.095 11.129 902 HE2 LYS 112 HE2 LYS 112 -0.839 3.437 10.392 903 HE3 LYS 112 HE3 LYS 112 -1.344 4.268 11.854 904 HZ1 LYS 112 HZ1 LYS 112 -2.807 5.655 10.533 905 HZ2 LYS 112 HZ2 LYS 112 -3.160 4.022 10.276 906 HZ3 LYS 112 HZ3 LYS 112 -2.293 4.892 9.109 907 H ASP 113 H ASP 113 2.765 8.136 14.041 908 HA ASP 113 HA ASP 113 1.716 8.548 16.671 909 HB2 ASP 113 HB2 ASP 113 3.762 7.204 16.201 910 HB3 ASP 113 HB3 ASP 113 4.581 8.677 15.701 911 H ALA 114 H ALA 114 2.748 10.520 14.088 912 HA ALA 114 HA ALA 114 3.119 12.847 15.846 913 HB1 ALA 114 HB1 ALA 114 3.871 12.494 12.946 914 HB2 ALA 114 HB2 ALA 114 4.967 12.365 14.323 915 HB3 ALA 114 HB3 ALA 114 4.211 13.911 13.940 916 H ASP 115 H ASP 115 1.217 11.603 13.193 917 HA ASP 115 HA ASP 115 -0.058 14.019 12.465 918 HB2 ASP 115 HB2 ASP 115 0.062 12.029 11.003 919 HB3 ASP 115 HB3 ASP 115 -1.020 11.178 12.091 920 H1 GLY 242 H1 GLY 242 -0.622 8.615 18.778 921 H2 GLY 242 H2 GLY 242 -0.542 6.976 19.167 922 H3 GLY 242 H3 GLY 242 -2.025 7.778 19.206 923 HA2 GLY 242 HA2 GLY 242 -1.936 8.132 16.823 924 HA3 GLY 242 HA3 GLY 242 -0.396 7.286 16.783 925 H GLY 243 H GLY 243 -1.502 5.877 15.237 926 HA2 GLY 243 HA3 GLY 243 -2.211 3.699 14.875 927 HA3 GLY 243 HA2 GLY 243 -2.565 3.562 16.592 928 H GLY 244 H GLY 244 -4.480 2.422 15.768 929 HA2 GLY 244 HA3 GLY 244 -6.628 4.360 15.185 930 HA3 GLY 244 HA2 GLY 244 -6.547 2.807 14.365 931 H GLY 245 H GLY 245 -8.686 2.412 15.217 932 HA2 GLY 245 HA3 GLY 245 -9.758 0.849 16.607 933 HA3 GLY 245 HA2 GLY 245 -8.464 1.031 17.779 934 H TYR 246 H TYR 246 -9.084 4.089 17.116 935 HA TYR 246 HA TYR 246 -10.774 4.473 19.406 936 HB2 TYR 246 HB3 TYR 246 -8.953 6.050 18.952 937 HB3 TYR 246 HB2 TYR 246 -9.680 6.460 17.403 938 HD1 TYR 246 HD1 TYR 246 -10.139 6.685 21.066 939 HD2 TYR 246 HD2 TYR 246 -11.389 8.092 17.254 940 HE1 TYR 246 HE1 TYR 246 -11.401 8.490 22.153 941 HE2 TYR 246 HE2 TYR 246 -12.656 9.903 18.330 942 HH TYR 246 HH TYR 246 -13.704 10.354 20.551 943 H ASP 247 H ASP 247 -11.044 4.597 15.970 944 HA ASP 247 HA ASP 247 -13.961 4.803 16.236 945 HB2 ASP 247 HB2 ASP 247 -14.084 6.024 14.143 946 HB3 ASP 247 HB3 ASP 247 -13.001 6.876 15.235 947 H VAL 248 H VAL 248 -15.153 3.590 14.646 948 HA VAL 248 HA VAL 248 -13.875 1.064 14.149 949 HB VAL 248 HB VAL 248 -16.632 1.908 13.248 950 HG11 VAL 248 HG21 VAL 248 -15.815 -0.134 12.213 951 HG12 VAL 248 HG22 VAL 248 -17.110 -0.497 13.354 952 HG13 VAL 248 HG23 VAL 248 -15.432 -0.805 13.800 953 HG21 VAL 248 HG13 VAL 248 -16.443 2.307 15.636 954 HG22 VAL 248 HG11 VAL 248 -15.799 0.684 15.875 955 HG23 VAL 248 HG12 VAL 248 -17.462 0.900 15.331 956 H GLU 249 H GLU 249 -12.238 1.977 12.709 957 HA GLU 249 HA GLU 249 -13.242 2.378 9.977 958 HB2 GLU 249 HB2 GLU 249 -11.778 4.167 10.868 959 HB3 GLU 249 HB3 GLU 249 -10.497 2.980 11.088 960 HG2 GLU 249 HG3 GLU 249 -10.612 2.526 8.632 961 HG3 GLU 249 HG2 GLU 249 -11.715 3.894 8.500 962 H MET 250 H MET 250 -13.265 0.598 8.822 963 HA MET 250 HA MET 250 -10.847 -1.050 8.781 964 HB2 MET 250 HB3 MET 250 -12.154 -3.113 8.721 965 HB3 MET 250 HB2 MET 250 -12.450 -2.237 10.213 966 HG2 MET 250 HG3 MET 250 -14.541 -1.351 9.218 967 HG3 MET 250 HG2 MET 250 -14.257 -2.376 7.813 968 HE1 MET 250 HE1 MET 250 -14.017 -5.079 8.035 969 HE2 MET 250 HE2 MET 250 -14.332 -5.950 9.535 970 HE3 MET 250 HE3 MET 250 -12.916 -4.910 9.403 971 H GLU 251 H GLU 251 -12.334 1.036 7.171 972 HA GLU 251 HA GLU 251 -13.412 -0.105 4.848 973 HB2 GLU 251 HB2 GLU 251 -13.693 2.264 5.603 974 HB3 GLU 251 HB3 GLU 251 -12.035 2.573 5.109 975 HG2 GLU 251 HG3 GLU 251 -12.598 2.068 2.809 976 HG3 GLU 251 HG2 GLU 251 -14.247 1.661 3.281 977 H SER 252 H SER 252 -12.558 -0.437 2.823 978 HA SER 252 HA SER 252 -11.050 -0.844 1.182 979 HB2 SER 252 HB3 SER 252 -9.868 1.237 1.883 980 HB3 SER 252 HB2 SER 252 -8.912 0.278 3.010 981 HG SER 252 HG SER 252 -9.029 -0.222 0.222 982 H GLU 253 H GLU 253 -10.677 -1.993 4.401 983 HA GLU 253 HA GLU 253 -8.919 -4.157 3.661 984 HB2 GLU 253 HB2 GLU 253 -8.945 -3.254 5.967 985 HB3 GLU 253 HB3 GLU 253 -10.610 -3.794 6.145 986 HG2 GLU 253 HG3 GLU 253 -9.738 -6.118 5.613 987 HG3 GLU 253 HG2 GLU 253 -8.129 -5.453 5.882 988 H GLU 254 H GLU 254 -12.315 -3.835 4.614 989 HA GLU 254 HA GLU 254 -12.900 -6.563 3.913 990 HB2 GLU 254 HB2 GLU 254 -15.334 -5.390 4.344 991 HB3 GLU 254 HB3 GLU 254 -14.346 -6.156 5.573 992 HG2 GLU 254 HG3 GLU 254 -15.034 -4.080 6.435 993 HG3 GLU 254 HG2 GLU 254 -13.329 -3.921 6.035 994 H GLU 255 H GLU 255 -13.770 -3.366 2.635 995 HA GLU 255 HA GLU 255 -15.444 -4.327 0.580 996 HB2 GLU 255 HB2 GLU 255 -13.919 -1.738 0.814 997 HB3 GLU 255 HB3 GLU 255 -15.120 -2.064 -0.428 998 HG2 GLU 255 HG3 GLU 255 -15.614 -2.035 2.543 999 HG3 GLU 255 HG2 GLU 255 -16.056 -0.763 1.404 1000 H SER 256 H SER 256 -12.018 -4.135 0.829 1001 HA SER 256 HA SER 256 -11.706 -4.763 -2.006 1002 HB2 SER 256 HB3 SER 256 -9.652 -4.289 0.165 1003 HB3 SER 256 HB2 SER 256 -9.278 -4.625 -1.526 1004 HG SER 256 HG SER 256 -10.640 -2.711 -1.974 1005 H ASP 257 H ASP 257 -12.919 -6.746 -1.647 1006 HA ASP 257 HA ASP 257 -11.968 -8.747 0.143 1007 HB2 ASP 257 HB2 ASP 257 -13.663 -10.194 -1.027 1008 HB3 ASP 257 HB3 ASP 257 -14.304 -8.719 -0.320 1009 H ASP 258 H ASP 258 -11.768 -8.312 -3.368 1010 HA ASP 258 HA ASP 258 -10.435 -10.798 -3.827 1011 HB2 ASP 258 HB2 ASP 258 -11.731 -9.630 -5.581 1012 HB3 ASP 258 HB3 ASP 258 -10.549 -8.326 -5.573 1013 H ASP 259 H ASP 259 -9.468 -7.618 -2.952 1014 HA ASP 259 HA ASP 259 -6.711 -7.770 -3.584 1015 HB2 ASP 259 HB2 ASP 259 -8.029 -6.186 -1.363 1016 HB3 ASP 259 HB3 ASP 259 -6.469 -5.857 -2.103 1017 H GLY 260 H GLY 260 -8.100 -7.750 -0.282 1018 HA2 GLY 260 HA3 GLY 260 -7.901 -9.367 1.363 1019 HA3 GLY 260 HA2 GLY 260 -7.034 -10.356 0.206 1020 H PHE 261 H PHE 261 -6.146 -7.126 1.379 1021 HA PHE 261 HA PHE 261 -3.804 -8.333 2.667 1022 HB2 PHE 261 HB3 PHE 261 -3.876 -5.556 1.473 1023 HB3 PHE 261 HB2 PHE 261 -2.469 -6.430 2.066 1024 HD1 PHE 261 HD2 PHE 261 -3.325 -9.090 0.682 1025 HD2 PHE 261 HD1 PHE 261 -2.921 -5.079 -0.644 1026 HE1 PHE 261 HE2 PHE 261 -2.938 -9.892 -1.601 1027 HE2 PHE 261 HE1 PHE 261 -2.533 -5.880 -2.934 1028 HZ PHE 261 HZ PHE 261 -2.546 -8.282 -3.418 1029 H VAL 262 H VAL 262 -3.088 -7.306 4.602 1030 HA VAL 262 HA VAL 262 -5.031 -5.473 5.835 1031 HB VAL 262 HB VAL 262 -5.495 -7.850 6.502 1032 HG11 VAL 262 HG21 VAL 262 -3.959 -8.939 8.081 1033 HG12 VAL 262 HG22 VAL 262 -2.785 -7.652 7.803 1034 HG13 VAL 262 HG23 VAL 262 -3.245 -8.726 6.482 1035 HG21 VAL 262 HG13 VAL 262 -6.206 -6.056 7.949 1036 HG22 VAL 262 HG11 VAL 262 -4.610 -5.984 8.697 1037 HG23 VAL 262 HG12 VAL 262 -5.628 -7.406 8.923 1038 H GLU 263 H GLU 263 -4.140 -4.128 7.484 1039 HA GLU 263 HA GLU 263 -1.285 -3.751 7.389 1040 HB2 GLU 263 HB2 GLU 263 -1.680 -1.969 9.057 1041 HB3 GLU 263 HB3 GLU 263 -2.725 -1.795 7.652 1042 HG2 GLU 263 HG3 GLU 263 -4.606 -2.583 8.842 1043 HG3 GLU 263 HG2 GLU 263 -3.616 -3.117 10.198 1044 H VAL 264 H VAL 264 0.170 -4.119 9.110 1045 HA VAL 264 HA VAL 264 -0.726 -6.257 10.896 1046 HB VAL 264 HB VAL 264 2.085 -5.366 10.201 1047 HG11 VAL 264 HG21 VAL 264 2.805 -7.389 11.402 1048 HG12 VAL 264 HG22 VAL 264 1.138 -7.688 11.892 1049 HG13 VAL 264 HG23 VAL 264 1.983 -6.255 12.475 1050 HG21 VAL 264 HG13 VAL 264 2.207 -7.493 8.998 1051 HG22 VAL 264 HG11 VAL 264 0.911 -6.480 8.363 1052 HG23 VAL 264 HG12 VAL 264 0.531 -7.837 9.422 1053 H ASP 265 H ASP 265 -1.561 -5.472 12.700 1054 HA ASP 265 HA ASP 265 0.053 -3.829 14.435 1055 HB2 ASP 265 HB2 ASP 265 -1.026 -2.108 13.072 1056 HB3 ASP 265 HB3 ASP 265 -2.596 -2.802 13.403 Start of MODEL 8 1 H2 PRO 1 H2 PRO 1 18.839 -7.618 2.125 2 H3 PRO 1 H3 PRO 1 17.299 -8.099 1.888 3 HA PRO 1 HA PRO 1 18.164 -5.653 2.364 4 HB2 PRO 1 HB3 PRO 1 16.916 -5.170 -0.217 5 HB3 PRO 1 HB2 PRO 1 18.411 -4.497 0.449 6 HG2 PRO 1 HG3 PRO 1 18.393 -6.310 -1.570 7 HG3 PRO 1 HG2 PRO 1 19.708 -6.191 -0.385 8 HD2 PRO 1 HD2 PRO 1 17.410 -8.123 -0.477 9 HD3 PRO 1 HD3 PRO 1 19.120 -8.434 -0.128 10 H SER 2 H SER 2 16.469 -4.727 3.372 11 HA SER 2 HA SER 2 13.860 -6.020 3.022 12 HB2 SER 2 HB3 SER 2 13.388 -4.911 5.258 13 HB3 SER 2 HB2 SER 2 14.632 -6.150 5.273 14 HG SER 2 HG SER 2 15.794 -4.632 6.155 15 H HIS 3 H HIS 3 15.517 -3.007 2.669 16 HA HIS 3 HA HIS 3 13.034 -1.470 2.593 17 HB2 HIS 3 HB3 HIS 3 15.863 -0.466 2.192 18 HB3 HIS 3 HB2 HIS 3 14.434 0.500 2.530 19 HD1 HIS 3 HD1 HIS 3 17.228 0.094 4.228 20 HD2 HIS 3 HD2 HIS 3 13.397 -1.216 5.168 21 HE1 HIS 3 HE1 HIS 3 17.212 -0.219 6.720 22 HE2 HIS 3 HE2 HIS 3 14.971 -1.246 7.219 23 H SER 4 H SER 4 13.922 -3.470 0.561 24 HA SER 4 HA SER 4 13.109 -2.035 -1.770 25 HB2 SER 4 HB3 SER 4 15.121 -2.420 -3.127 26 HB3 SER 4 HB2 SER 4 15.466 -1.365 -1.756 27 HG SER 4 HG SER 4 16.025 -4.144 -1.932 28 H GLY 5 H GLY 5 12.529 -3.446 -3.469 29 HA2 GLY 5 HA3 GLY 5 13.168 -6.186 -3.604 30 HA3 GLY 5 HA2 GLY 5 11.655 -6.003 -2.720 31 H ALA 6 H ALA 6 12.296 -7.125 -5.462 32 HA ALA 6 HA ALA 6 11.214 -5.249 -7.330 33 HB1 ALA 6 HB1 ALA 6 11.614 -8.216 -7.675 34 HB2 ALA 6 HB2 ALA 6 12.828 -6.974 -7.990 35 HB3 ALA 6 HB3 ALA 6 11.352 -7.026 -8.953 36 H ALA 7 H ALA 7 9.088 -4.844 -7.695 37 HA ALA 7 HA ALA 7 7.099 -6.876 -6.926 38 HB1 ALA 7 HB1 ALA 7 5.652 -5.129 -5.993 39 HB2 ALA 7 HB2 ALA 7 6.921 -3.935 -6.276 40 HB3 ALA 7 HB3 ALA 7 7.184 -5.243 -5.122 41 H ILE 8 H ILE 8 5.075 -6.690 -7.952 42 HA ILE 8 HA ILE 8 5.139 -5.414 -10.593 43 HB ILE 8 HB ILE 8 3.262 -7.447 -9.363 44 HG12 ILE 8 HG13 ILE 8 4.012 -8.834 -11.342 45 HG13 ILE 8 HG12 ILE 8 5.241 -7.618 -11.638 46 HG21 ILE 8 HG21 ILE 8 3.076 -6.198 -12.091 47 HG22 ILE 8 HG22 ILE 8 2.004 -5.871 -10.729 48 HG23 ILE 8 HG23 ILE 8 2.042 -7.478 -11.456 49 HD11 ILE 8 HD11 ILE 8 6.216 -8.076 -9.445 50 HD12 ILE 8 HD12 ILE 8 6.155 -9.521 -10.454 51 HD13 ILE 8 HD13 ILE 8 4.979 -9.300 -9.159 52 H PHE 9 H PHE 9 4.353 -3.447 -10.734 53 HA PHE 9 HA PHE 9 2.092 -2.732 -9.011 54 HB2 PHE 9 HB3 PHE 9 4.000 -1.558 -8.169 55 HB3 PHE 9 HB2 PHE 9 4.490 -1.073 -9.784 56 HD1 PHE 9 HD1 PHE 9 1.772 -0.619 -7.287 57 HD2 PHE 9 HD2 PHE 9 3.877 0.992 -10.614 58 HE1 PHE 9 HE1 PHE 9 0.599 1.522 -6.992 59 HE2 PHE 9 HE2 PHE 9 2.702 3.132 -10.328 60 HZ PHE 9 HZ PHE 9 1.062 3.400 -8.513 61 H GLU 10 H GLU 10 0.360 -2.564 -10.209 62 HA GLU 10 HA GLU 10 -1.102 -2.011 -11.838 63 HB2 GLU 10 HB2 GLU 10 1.140 -0.321 -12.955 64 HB3 GLU 10 HB3 GLU 10 -0.528 -0.298 -13.510 65 HG2 GLU 10 HG3 GLU 10 -1.186 0.348 -11.179 66 HG3 GLU 10 HG2 GLU 10 0.529 0.568 -10.840 67 H LYS 11 H LYS 11 0.154 -4.339 -11.932 68 HA LYS 11 HA LYS 11 0.234 -6.180 -13.232 69 HB2 LYS 11 HB2 LYS 11 -0.789 -4.392 -15.440 70 HB3 LYS 11 HB3 LYS 11 -0.761 -6.149 -15.469 71 HG2 LYS 11 HG2 LYS 11 -2.901 -5.871 -14.799 72 HG3 LYS 11 HG3 LYS 11 -2.148 -5.787 -13.220 73 HD2 LYS 11 HD2 LYS 11 -2.017 -3.289 -13.621 74 HD3 LYS 11 HD3 LYS 11 -3.143 -3.577 -14.924 75 HE2 LYS 11 HE2 LYS 11 -3.571 -4.264 -12.055 76 HE3 LYS 11 HE3 LYS 11 -4.315 -2.922 -12.907 77 HZ1 LYS 11 HZ1 LYS 11 -4.728 -5.806 -13.483 78 HZ2 LYS 11 HZ2 LYS 11 -5.400 -4.530 -14.369 79 HZ3 LYS 11 HZ3 LYS 11 -5.841 -4.759 -12.755 80 H VAL 12 H VAL 12 2.354 -3.811 -13.472 81 HA VAL 12 HA VAL 12 3.940 -5.279 -15.467 82 HB VAL 12 HB VAL 12 3.911 -3.160 -16.389 83 HG11 VAL 12 HG21 VAL 12 4.139 -1.949 -13.636 84 HG12 VAL 12 HG22 VAL 12 2.654 -2.082 -14.579 85 HG13 VAL 12 HG23 VAL 12 3.974 -1.064 -15.156 86 HG21 VAL 12 HG13 VAL 12 6.208 -3.759 -16.174 87 HG22 VAL 12 HG11 VAL 12 6.250 -3.223 -14.491 88 HG23 VAL 12 HG12 VAL 12 6.082 -2.040 -15.797 89 H SER 13 H SER 13 5.840 -6.140 -14.872 90 HA SER 13 HA SER 13 6.411 -6.289 -12.065 91 HB2 SER 13 HB3 SER 13 6.642 -8.252 -13.587 92 HB3 SER 13 HB2 SER 13 7.975 -7.428 -14.395 93 HG SER 13 HG SER 13 8.018 -8.895 -12.154 94 H GLY 14 H GLY 14 7.749 -5.068 -10.960 95 HA2 GLY 14 HA3 GLY 14 9.951 -3.734 -12.301 96 HA3 GLY 14 HA2 GLY 14 8.758 -2.717 -11.530 97 H ILE 15 H ILE 15 10.421 -1.917 -10.147 98 HA ILE 15 HA ILE 15 11.136 -3.795 -8.034 99 HB ILE 15 HB ILE 15 12.900 -1.531 -8.842 100 HG12 ILE 15 HG13 ILE 15 12.596 -3.135 -10.732 101 HG13 ILE 15 HG12 ILE 15 14.234 -2.997 -10.153 102 HG21 ILE 15 HG21 ILE 15 13.262 -2.407 -6.609 103 HG22 ILE 15 HG22 ILE 15 14.621 -2.814 -7.658 104 HG23 ILE 15 HG23 ILE 15 13.418 -4.038 -7.263 105 HD11 ILE 15 HD11 ILE 15 12.353 -5.222 -9.496 106 HD12 ILE 15 HD12 ILE 15 14.051 -5.107 -9.029 107 HD13 ILE 15 HD13 ILE 15 13.610 -5.268 -10.734 108 H ILE 16 H ILE 16 11.417 -2.891 -5.965 109 HA ILE 16 HA ILE 16 10.136 -0.271 -5.588 110 HB ILE 16 HB ILE 16 9.209 -2.842 -4.718 111 HG12 ILE 16 HG13 ILE 16 8.157 -0.075 -4.137 112 HG13 ILE 16 HG12 ILE 16 7.909 -0.936 -5.651 113 HG21 ILE 16 HG21 ILE 16 9.777 -0.906 -2.467 114 HG22 ILE 16 HG22 ILE 16 10.523 -2.490 -2.687 115 HG23 ILE 16 HG23 ILE 16 8.796 -2.369 -2.346 116 HD11 ILE 16 HD11 ILE 16 6.978 -1.850 -2.944 117 HD12 ILE 16 HD12 ILE 16 6.701 -2.681 -4.475 118 HD13 ILE 16 HD13 ILE 16 5.974 -1.100 -4.185 119 H ALA 17 H ALA 17 11.242 1.077 -4.323 120 HA ALA 17 HA ALA 17 13.103 -0.067 -2.373 121 HB1 ALA 17 HB1 ALA 17 14.758 1.689 -2.940 122 HB2 ALA 17 HB2 ALA 17 13.768 2.109 -4.345 123 HB3 ALA 17 HB3 ALA 17 14.493 0.499 -4.211 124 H ILE 18 H ILE 18 12.313 0.545 -0.480 125 HA ILE 18 HA ILE 18 11.147 3.150 -0.046 126 HB ILE 18 HB ILE 18 11.994 1.198 2.089 127 HG12 ILE 18 HG13 ILE 18 9.342 0.861 2.040 128 HG13 ILE 18 HG12 ILE 18 9.591 1.214 0.334 129 HG21 ILE 18 HG21 ILE 18 11.603 3.552 2.767 130 HG22 ILE 18 HG22 ILE 18 10.451 2.423 3.493 131 HG23 ILE 18 HG23 ILE 18 9.958 3.429 2.132 132 HD11 ILE 18 HD11 ILE 18 9.609 -1.157 0.744 133 HD12 ILE 18 HD12 ILE 18 10.931 -0.972 1.891 134 HD13 ILE 18 HD13 ILE 18 11.184 -0.609 0.185 135 H ASN 19 H ASN 19 12.396 4.877 0.376 136 HA ASN 19 HA ASN 19 15.066 4.431 1.528 137 HB2 ASN 19 HB2 ASN 19 15.605 4.963 -0.677 138 HB3 ASN 19 HB3 ASN 19 14.234 6.051 -0.848 139 HD21 ASN 19 HD21 ASN 19 14.430 8.157 -0.269 140 HD22 ASN 19 HD22 ASN 19 15.932 8.894 0.183 141 H GLU 20 H GLU 20 15.231 5.426 3.494 142 HA GLU 20 HA GLU 20 13.865 8.029 3.550 143 HB2 GLU 20 HB2 GLU 20 15.174 6.637 5.891 144 HB3 GLU 20 HB3 GLU 20 14.032 7.967 5.931 145 HG2 GLU 20 HG3 GLU 20 12.243 6.555 5.274 146 HG3 GLU 20 HG2 GLU 20 13.348 5.224 4.966 147 H ASP 21 H ASP 21 15.707 8.600 2.056 148 HA ASP 21 HA ASP 21 17.687 9.961 3.757 149 HB2 ASP 21 HB2 ASP 21 18.849 8.677 2.052 150 HB3 ASP 21 HB3 ASP 21 17.769 9.270 0.801 151 H VAL 22 H VAL 22 14.818 9.984 2.439 152 HA VAL 22 HA VAL 22 14.951 12.401 0.807 153 HB VAL 22 HB VAL 22 14.281 10.206 -0.141 154 HG11 VAL 22 HG21 VAL 22 12.144 9.199 0.474 155 HG12 VAL 22 HG22 VAL 22 11.930 10.439 1.710 156 HG13 VAL 22 HG23 VAL 22 13.250 9.278 1.845 157 HG21 VAL 22 HG13 VAL 22 12.081 10.866 -1.148 158 HG22 VAL 22 HG11 VAL 22 13.400 12.034 -1.352 159 HG23 VAL 22 HG12 VAL 22 12.151 12.322 -0.140 160 H SER 23 H SER 23 12.903 13.680 0.724 161 HA SER 23 HA SER 23 11.740 14.619 3.065 162 HB2 SER 23 HB3 SER 23 10.313 14.381 0.424 163 HB3 SER 23 HB2 SER 23 10.131 15.639 1.637 164 HG SER 23 HG SER 23 12.395 16.153 1.172 165 HA PRO 24 HA PRO 24 9.374 12.015 5.192 166 HB2 PRO 24 HB3 PRO 24 6.735 11.739 4.271 167 HB3 PRO 24 HB2 PRO 24 7.289 12.904 5.478 168 HG2 PRO 24 HG3 PRO 24 6.931 13.249 2.522 169 HG3 PRO 24 HG2 PRO 24 6.463 14.346 3.827 170 HD2 PRO 24 HD2 PRO 24 8.639 14.886 2.471 171 HD3 PRO 24 HD3 PRO 24 8.744 14.943 4.249 172 H ALA 25 H ALA 25 9.493 9.849 5.221 173 HA ALA 25 HA ALA 25 11.006 8.783 3.329 174 HB1 ALA 25 HB1 ALA 25 10.619 7.756 5.517 175 HB2 ALA 25 HB2 ALA 25 10.663 6.601 4.182 176 HB3 ALA 25 HB3 ALA 25 9.121 7.072 4.890 177 H GLU 26 H GLU 26 10.961 7.556 1.580 178 HA GLU 26 HA GLU 26 8.408 7.518 0.228 179 HB2 GLU 26 HB2 GLU 26 10.973 8.714 -0.819 180 HB3 GLU 26 HB3 GLU 26 9.681 8.187 -1.894 181 HG2 GLU 26 HG3 GLU 26 8.146 9.696 -0.607 182 HG3 GLU 26 HG2 GLU 26 9.575 10.324 0.208 183 H LEU 27 H LEU 27 7.992 5.859 -1.026 184 HA LEU 27 HA LEU 27 10.000 3.724 -1.354 185 HB2 LEU 27 HB2 LEU 27 7.952 2.910 -0.433 186 HB3 LEU 27 HB3 LEU 27 6.988 3.865 -1.529 187 HG LEU 27 HG LEU 27 8.681 1.557 -2.490 188 HD11 LEU 27 HD11 LEU 27 6.719 0.182 -2.345 189 HD12 LEU 27 HD12 LEU 27 5.784 1.537 -1.709 190 HD13 LEU 27 HD13 LEU 27 7.094 0.839 -0.749 191 HD21 LEU 27 HD21 LEU 27 7.149 1.547 -4.383 192 HD22 LEU 27 HD22 LEU 27 7.868 3.146 -4.212 193 HD23 LEU 27 HD23 LEU 27 6.215 2.861 -3.668 194 H THR 28 H THR 28 10.559 3.133 -3.455 195 HA THR 28 HA THR 28 9.399 4.827 -5.548 196 HB THR 28 HB THR 28 12.311 4.063 -5.481 197 HG1 THR 28 HG1 THR 28 11.827 5.495 -3.741 198 HG21 THR 28 HG21 THR 28 12.435 5.927 -7.135 199 HG22 THR 28 HG22 THR 28 10.667 5.996 -7.107 200 HG23 THR 28 HG23 THR 28 11.491 4.540 -7.679 201 H TRP 29 H TRP 29 8.244 3.501 -6.747 202 HA TRP 29 HA TRP 29 9.260 0.814 -7.265 203 HB2 TRP 29 HB3 TRP 29 6.829 1.081 -6.840 204 HB3 TRP 29 HB2 TRP 29 6.711 2.096 -8.275 205 HD1 TRP 29 HD1 TRP 29 7.225 -1.569 -7.246 206 HE1 TRP 29 HE1 TRP 29 6.827 -3.075 -9.301 207 HE3 TRP 29 HE3 TRP 29 6.739 2.055 -10.808 208 HZ2 TRP 29 HZ2 TRP 29 6.365 -2.752 -12.054 209 HZ3 TRP 29 HZ3 TRP 29 6.321 1.368 -13.123 210 HH2 TRP 29 HH2 TRP 29 6.139 -0.982 -13.737 211 H ARG 30 H ARG 30 10.778 0.719 -8.644 212 HA ARG 30 HA ARG 30 10.654 2.334 -11.095 213 HB2 ARG 30 HB2 ARG 30 12.546 2.959 -9.731 214 HB3 ARG 30 HB3 ARG 30 13.007 1.271 -9.517 215 HG2 ARG 30 HG2 ARG 30 12.868 2.165 -12.296 216 HG3 ARG 30 HG3 ARG 30 14.105 2.962 -11.324 217 HD2 ARG 30 HD2 ARG 30 15.031 0.838 -10.694 218 HD3 ARG 30 HD3 ARG 30 13.745 -0.030 -11.523 219 HE ARG 30 HE ARG 30 15.326 1.754 -13.179 220 HH11 ARG 30 HH11 ARG 30 14.973 -1.500 -11.947 221 HH12 ARG 30 HH12 ARG 30 15.900 -2.225 -13.220 222 HH21 ARG 30 HH21 ARG 30 16.548 0.809 -14.858 223 HH22 ARG 30 HH22 ARG 30 16.793 -0.907 -14.885 224 H SER 31 H SER 31 10.026 1.102 -12.762 225 HA SER 31 HA SER 31 9.722 -1.650 -12.591 226 HB2 SER 31 HB3 SER 31 9.147 -1.593 -14.944 227 HB3 SER 31 HB2 SER 31 8.450 -0.198 -14.132 228 HG SER 31 HG SER 31 9.568 0.129 -16.224 229 H THR 32 H THR 32 10.749 -3.353 -13.525 230 HA THR 32 HA THR 32 13.506 -3.456 -13.138 231 HB THR 32 HB THR 32 11.931 -5.373 -14.860 232 HG1 THR 32 HG1 THR 32 12.111 -5.222 -12.014 233 HG21 THR 32 HG21 THR 32 14.372 -5.731 -14.736 234 HG22 THR 32 HG22 THR 32 13.473 -7.033 -13.957 235 HG23 THR 32 HG23 THR 32 14.260 -5.795 -12.978 236 H ASP 33 H ASP 33 11.640 -2.620 -15.941 237 HA ASP 33 HA ASP 33 13.860 -2.918 -17.785 238 HB2 ASP 33 HB2 ASP 33 11.560 -3.455 -18.501 239 HB3 ASP 33 HB3 ASP 33 11.095 -1.779 -18.230 240 H GLY 34 H GLY 34 12.296 -0.408 -15.941 241 HA2 GLY 34 HA3 GLY 34 13.402 1.570 -15.312 242 HA3 GLY 34 HA2 GLY 34 14.473 1.386 -16.691 243 H ASP 35 H ASP 35 11.036 1.104 -17.178 244 HA ASP 35 HA ASP 35 11.143 3.661 -18.631 245 HB2 ASP 35 HB2 ASP 35 10.819 1.617 -20.010 246 HB3 ASP 35 HB3 ASP 35 9.328 1.322 -19.136 247 H LYS 36 H LYS 36 9.904 2.236 -15.912 248 HA LYS 36 HA LYS 36 7.712 4.172 -15.732 249 HB2 LYS 36 HB2 LYS 36 6.987 1.813 -16.536 250 HB3 LYS 36 HB3 LYS 36 7.340 1.306 -14.894 251 HG2 LYS 36 HG2 LYS 36 5.680 2.897 -14.062 252 HG3 LYS 36 HG3 LYS 36 5.341 3.376 -15.727 253 HD2 LYS 36 HD2 LYS 36 4.730 1.067 -16.257 254 HD3 LYS 36 HD3 LYS 36 5.016 0.610 -14.581 255 HE2 LYS 36 HE2 LYS 36 2.931 2.546 -15.571 256 HE3 LYS 36 HE3 LYS 36 2.639 0.914 -14.988 257 HZ1 LYS 36 HZ1 LYS 36 2.134 2.475 -13.255 258 HZ2 LYS 36 HZ2 LYS 36 3.656 3.201 -13.396 259 HZ3 LYS 36 HZ3 LYS 36 3.529 1.620 -12.817 260 H VAL 37 H VAL 37 8.008 5.284 -13.875 261 HA VAL 37 HA VAL 37 9.049 3.858 -11.512 262 HB VAL 37 HB VAL 37 10.019 6.581 -12.427 263 HG11 VAL 37 HG21 VAL 37 9.882 6.428 -10.003 264 HG12 VAL 37 HG22 VAL 37 11.566 6.428 -10.527 265 HG13 VAL 37 HG23 VAL 37 10.798 4.921 -10.030 266 HG21 VAL 37 HG13 VAL 37 11.457 3.931 -12.318 267 HG22 VAL 37 HG11 VAL 37 12.202 5.484 -12.693 268 HG23 VAL 37 HG12 VAL 37 10.986 4.806 -13.775 269 H HIS 38 H HIS 38 7.767 4.152 -9.816 270 HA HIS 38 HA HIS 38 6.223 6.652 -9.599 271 HB2 HIS 38 HB3 HIS 38 4.876 4.600 -10.338 272 HB3 HIS 38 HB2 HIS 38 5.177 3.994 -8.711 273 HD1 HIS 38 HD1 HIS 38 3.024 6.285 -10.622 274 HD2 HIS 38 HD2 HIS 38 3.965 5.606 -6.632 275 HE1 HIS 38 HE1 HIS 38 1.250 7.470 -9.301 276 HE2 HIS 38 HE2 HIS 38 2.025 7.296 -6.912 277 H THR 39 H THR 39 6.660 7.675 -7.748 278 HA THR 39 HA THR 39 7.899 6.120 -5.594 279 HB THR 39 HB THR 39 7.811 9.132 -5.914 280 HG1 THR 39 HG1 THR 39 10.246 8.077 -6.299 281 HG21 THR 39 HG21 THR 39 8.186 8.280 -3.619 282 HG22 THR 39 HG22 THR 39 9.591 9.132 -4.265 283 HG23 THR 39 HG23 THR 39 9.576 7.368 -4.212 284 H VAL 40 H VAL 40 6.916 5.922 -3.615 285 HA VAL 40 HA VAL 40 4.308 7.244 -3.221 286 HB VAL 40 HB VAL 40 5.485 4.711 -2.091 287 HG11 VAL 40 HG21 VAL 40 4.398 5.784 -0.257 288 HG12 VAL 40 HG22 VAL 40 3.355 4.483 -0.835 289 HG13 VAL 40 HG23 VAL 40 2.992 6.157 -1.252 290 HG21 VAL 40 HG13 VAL 40 2.832 5.027 -3.424 291 HG22 VAL 40 HG11 VAL 40 3.820 3.575 -3.232 292 HG23 VAL 40 HG12 VAL 40 4.312 4.833 -4.375 293 H VAL 41 H VAL 41 4.145 8.799 -1.676 294 HA VAL 41 HA VAL 41 6.279 9.116 0.269 295 HB VAL 41 HB VAL 41 3.802 10.819 -0.070 296 HG11 VAL 41 HG21 VAL 41 5.133 12.500 1.194 297 HG12 VAL 41 HG22 VAL 41 6.377 11.273 1.440 298 HG13 VAL 41 HG23 VAL 41 4.772 11.048 2.130 299 HG21 VAL 41 HG13 VAL 41 5.106 10.897 -2.104 300 HG22 VAL 41 HG11 VAL 41 6.577 11.203 -1.183 301 HG23 VAL 41 HG12 VAL 41 5.294 12.413 -1.223 302 H LEU 42 H LEU 42 6.150 7.811 1.880 303 HA LEU 42 HA LEU 42 4.022 6.421 2.913 304 HB2 LEU 42 HB2 LEU 42 6.604 7.325 4.124 305 HB3 LEU 42 HB3 LEU 42 5.432 6.415 5.061 306 HG LEU 42 HG LEU 42 7.365 5.127 3.970 307 HD11 LEU 42 HD11 LEU 42 4.514 4.273 3.499 308 HD12 LEU 42 HD12 LEU 42 5.427 4.083 4.998 309 HD13 LEU 42 HD13 LEU 42 5.919 3.212 3.553 310 HD21 LEU 42 HD21 LEU 42 7.294 6.065 1.746 311 HD22 LEU 42 HD22 LEU 42 5.629 5.515 1.538 312 HD23 LEU 42 HD23 LEU 42 6.935 4.338 1.684 313 H SER 43 H SER 43 4.976 9.728 3.613 314 HA SER 43 HA SER 43 3.364 9.989 5.940 315 HB2 SER 43 HB3 SER 43 5.238 11.499 5.523 316 HB3 SER 43 HB2 SER 43 4.424 12.121 4.092 317 HG SER 43 HG SER 43 2.943 13.127 5.351 318 H THR 44 H THR 44 2.830 10.562 2.499 319 HA THR 44 HA THR 44 0.187 11.613 2.895 320 HB THR 44 HB THR 44 -0.073 11.349 0.438 321 HG1 THR 44 HG1 THR 44 1.976 9.638 0.739 322 HG21 THR 44 HG21 THR 44 2.515 12.644 1.287 323 HG22 THR 44 HG22 THR 44 0.917 13.391 1.325 324 HG23 THR 44 HG23 THR 44 1.653 12.960 -0.219 325 H ILE 45 H ILE 45 1.588 8.538 2.870 326 HA ILE 45 HA ILE 45 -0.752 7.039 2.210 327 HB ILE 45 HB ILE 45 1.821 6.250 3.562 328 HG12 ILE 45 HG13 ILE 45 2.069 7.010 1.228 329 HG13 ILE 45 HG12 ILE 45 2.443 5.310 1.414 330 HG21 ILE 45 HG21 ILE 45 -0.318 4.466 2.434 331 HG22 ILE 45 HG22 ILE 45 -0.052 4.772 4.151 332 HG23 ILE 45 HG23 ILE 45 1.189 3.964 3.196 333 HD11 ILE 45 HD11 ILE 45 -0.053 6.500 0.210 334 HD12 ILE 45 HD12 ILE 45 0.135 4.784 0.561 335 HD13 ILE 45 HD13 ILE 45 1.199 5.564 -0.614 336 H ASP 46 H ASP 46 -2.427 6.669 3.490 337 HA ASP 46 HA ASP 46 -2.426 7.321 6.292 338 HB2 ASP 46 HB2 ASP 46 -4.401 7.606 4.752 339 HB3 ASP 46 HB3 ASP 46 -4.546 5.863 4.705 340 H LYS 47 H LYS 47 -2.693 4.364 4.355 341 HA LYS 47 HA LYS 47 -1.904 2.775 6.705 342 HB2 LYS 47 HB2 LYS 47 -4.112 2.036 4.762 343 HB3 LYS 47 HB3 LYS 47 -3.506 1.023 6.056 344 HG2 LYS 47 HG2 LYS 47 -4.762 3.691 6.576 345 HG3 LYS 47 HG3 LYS 47 -5.688 2.191 6.483 346 HD2 LYS 47 HD2 LYS 47 -4.093 1.271 8.213 347 HD3 LYS 47 HD3 LYS 47 -3.522 2.924 8.428 348 HE2 LYS 47 HE2 LYS 47 -5.791 3.624 8.992 349 HE3 LYS 47 HE3 LYS 47 -6.357 1.969 8.788 350 HZ1 LYS 47 HZ1 LYS 47 -4.780 1.321 10.568 351 HZ2 LYS 47 HZ2 LYS 47 -6.006 2.367 11.097 352 HZ3 LYS 47 HZ3 LYS 47 -4.445 2.963 10.828 353 H LEU 48 H LEU 48 -0.586 0.998 6.209 354 HA LEU 48 HA LEU 48 -0.256 0.421 3.343 355 HB2 LEU 48 HB2 LEU 48 1.903 0.869 4.073 356 HB3 LEU 48 HB3 LEU 48 1.622 0.117 5.641 357 HG LEU 48 HG LEU 48 1.490 -2.093 4.426 358 HD11 LEU 48 HD11 LEU 48 2.936 -0.675 2.239 359 HD12 LEU 48 HD12 LEU 48 1.189 -0.890 2.181 360 HD13 LEU 48 HD13 LEU 48 2.252 -2.297 2.239 361 HD21 LEU 48 HD21 LEU 48 3.646 -0.628 5.365 362 HD22 LEU 48 HD22 LEU 48 4.170 -1.289 3.816 363 HD23 LEU 48 HD23 LEU 48 3.577 -2.368 5.078 364 H GLN 49 H GLN 49 -0.433 -1.647 2.682 365 HA GLN 49 HA GLN 49 -1.669 -3.549 4.558 366 HB2 GLN 49 HB2 GLN 49 -2.323 -3.211 1.643 367 HB3 GLN 49 HB3 GLN 49 -3.081 -4.336 2.750 368 HG2 GLN 49 HG2 GLN 49 -3.209 -1.349 3.055 369 HG3 GLN 49 HG3 GLN 49 -4.437 -2.316 2.241 370 HE21 GLN 49 HE21 GLN 49 -4.211 -4.545 4.073 371 HE22 GLN 49 HE22 GLN 49 -4.963 -4.046 5.544 372 H ALA 50 H ALA 50 -1.318 -5.736 4.092 373 HA ALA 50 HA ALA 50 0.497 -6.596 2.049 374 HB1 ALA 50 HB1 ALA 50 2.104 -5.587 3.605 375 HB2 ALA 50 HB2 ALA 50 2.283 -7.342 3.565 376 HB3 ALA 50 HB3 ALA 50 1.458 -6.574 4.921 377 H THR 51 H THR 51 0.407 -8.835 1.808 378 HA THR 51 HA THR 51 -1.844 -10.209 2.828 379 HB THR 51 HB THR 51 -0.768 -12.250 1.919 380 HG1 THR 51 HG1 THR 51 1.448 -11.075 2.346 381 HG21 THR 51 HG21 THR 51 -0.533 -11.423 -0.460 382 HG22 THR 51 HG22 THR 51 -0.808 -9.801 0.180 383 HG23 THR 51 HG23 THR 51 -2.056 -11.038 0.351 384 HA PRO 52 HA PRO 52 -0.287 -11.479 6.833 385 HB2 PRO 52 HB3 PRO 52 -2.505 -12.908 7.450 386 HB3 PRO 52 HB2 PRO 52 -2.479 -11.145 7.509 387 HG2 PRO 52 HG3 PRO 52 -3.478 -12.949 5.340 388 HG3 PRO 52 HG2 PRO 52 -4.254 -11.540 6.055 389 HD2 PRO 52 HD2 PRO 52 -2.959 -11.415 3.720 390 HD3 PRO 52 HD3 PRO 52 -2.943 -10.064 4.859 391 H ALA 53 H ALA 53 0.122 -13.590 7.856 392 HA ALA 53 HA ALA 53 1.125 -15.553 6.103 393 HB1 ALA 53 HB1 ALA 53 0.417 -15.831 9.021 394 HB2 ALA 53 HB2 ALA 53 1.956 -15.251 8.387 395 HB3 ALA 53 HB3 ALA 53 1.454 -16.917 8.097 396 H SER 54 H SER 54 -2.022 -14.946 7.271 397 HA SER 54 HA SER 54 -3.101 -17.566 6.864 398 HB2 SER 54 HB3 SER 54 -4.556 -14.920 6.919 399 HB3 SER 54 HB2 SER 54 -5.228 -16.514 7.239 400 HG SER 54 HG SER 54 -4.559 -15.047 9.086 401 H SER 55 H SER 55 -2.458 -14.792 4.922 402 HA SER 55 HA SER 55 -4.150 -15.444 2.717 403 HB2 SER 55 HB3 SER 55 -3.342 -13.127 3.062 404 HB3 SER 55 HB2 SER 55 -1.685 -13.682 2.861 405 HG SER 55 HG SER 55 -3.752 -13.640 0.917 406 H GLU 56 H GLU 56 -3.511 -16.329 0.709 407 HA GLU 56 HA GLU 56 -1.291 -18.216 0.905 408 HB2 GLU 56 HB2 GLU 56 -3.270 -17.999 -1.327 409 HB3 GLU 56 HB3 GLU 56 -2.271 -19.377 -0.905 410 HG2 GLU 56 HG3 GLU 56 -4.192 -20.103 -0.001 411 HG3 GLU 56 HG2 GLU 56 -3.634 -19.142 1.365 412 H LYS 57 H LYS 57 -1.747 -15.165 -0.013 413 HA LYS 57 HA LYS 57 -0.083 -15.302 -2.431 414 HB2 LYS 57 HB2 LYS 57 -1.555 -12.868 -1.524 415 HB3 LYS 57 HB3 LYS 57 -1.065 -13.307 -3.146 416 HG2 LYS 57 HG2 LYS 57 -3.239 -14.664 -1.578 417 HG3 LYS 57 HG3 LYS 57 -3.498 -13.428 -2.806 418 HD2 LYS 57 HD2 LYS 57 -2.252 -16.129 -3.204 419 HD3 LYS 57 HD3 LYS 57 -3.872 -15.650 -3.704 420 HE2 LYS 57 HE2 LYS 57 -2.796 -13.867 -5.109 421 HE3 LYS 57 HE3 LYS 57 -1.247 -14.606 -4.726 422 HZ1 LYS 57 HZ1 LYS 57 -1.997 -16.649 -5.756 423 HZ2 LYS 57 HZ2 LYS 57 -2.091 -15.368 -6.853 424 HZ3 LYS 57 HZ3 LYS 57 -3.495 -15.953 -6.113 425 H MET 58 H MET 58 1.188 -13.139 -2.679 426 HA MET 58 HA MET 58 2.092 -12.063 -0.106 427 HB2 MET 58 HB3 MET 58 4.226 -11.916 -2.011 428 HB3 MET 58 HB2 MET 58 4.243 -12.607 -0.408 429 HG2 MET 58 HG3 MET 58 5.020 -14.192 -2.052 430 HG3 MET 58 HG2 MET 58 3.542 -14.756 -1.296 431 HE1 MET 58 HE1 MET 58 3.174 -16.565 -3.169 432 HE2 MET 58 HE2 MET 58 4.685 -16.074 -3.934 433 HE3 MET 58 HE3 MET 58 3.215 -16.222 -4.898 434 H MET 59 H MET 59 1.445 -9.989 -0.185 435 HA MET 59 HA MET 59 1.994 -8.402 -2.534 436 HB2 MET 59 HB3 MET 59 -0.475 -9.733 -2.336 437 HB3 MET 59 HB2 MET 59 -0.801 -8.046 -1.964 438 HG2 MET 59 HG3 MET 59 0.254 -7.376 -4.053 439 HG3 MET 59 HG2 MET 59 0.586 -9.067 -4.426 440 HE1 MET 59 HE1 MET 59 -3.026 -10.513 -4.907 441 HE2 MET 59 HE2 MET 59 -2.105 -10.485 -3.403 442 HE3 MET 59 HE3 MET 59 -1.298 -10.869 -4.922 443 H LEU 60 H LEU 60 1.903 -6.231 -2.192 444 HA LEU 60 HA LEU 60 1.195 -5.299 0.523 445 HB2 LEU 60 HB2 LEU 60 3.498 -4.811 -1.187 446 HB3 LEU 60 HB3 LEU 60 2.722 -3.324 -0.679 447 HG LEU 60 HG LEU 60 2.856 -4.426 1.699 448 HD11 LEU 60 HD11 LEU 60 4.906 -5.712 1.974 449 HD12 LEU 60 HD12 LEU 60 5.105 -5.767 0.221 450 HD13 LEU 60 HD13 LEU 60 3.721 -6.564 0.979 451 HD21 LEU 60 HD21 LEU 60 5.215 -3.236 0.275 452 HD22 LEU 60 HD22 LEU 60 4.996 -3.324 2.021 453 HD23 LEU 60 HD23 LEU 60 3.903 -2.345 1.044 454 H ARG 61 H ARG 61 0.137 -3.210 0.641 455 HA ARG 61 HA ARG 61 -0.377 -1.796 -1.827 456 HB2 ARG 61 HB2 ARG 61 -2.332 -3.272 -1.699 457 HB3 ARG 61 HB3 ARG 61 -2.711 -2.641 -0.104 458 HG2 ARG 61 HG2 ARG 61 -2.983 -0.399 -1.088 459 HG3 ARG 61 HG3 ARG 61 -2.684 -1.087 -2.682 460 HD2 ARG 61 HD2 ARG 61 -5.057 -0.834 -2.339 461 HD3 ARG 61 HD3 ARG 61 -4.649 -2.543 -2.385 462 HE ARG 61 HE ARG 61 -4.686 -1.531 0.276 463 HH11 ARG 61 HH11 ARG 61 -6.741 -2.645 -2.324 464 HH12 ARG 61 HH12 ARG 61 -8.028 -3.125 -1.265 465 HH21 ARG 61 HH21 ARG 61 -6.418 -2.122 1.672 466 HH22 ARG 61 HH22 ARG 61 -7.839 -2.850 0.994 467 H LEU 62 H LEU 62 0.270 0.196 -1.382 468 HA LEU 62 HA LEU 62 0.073 1.244 1.340 469 HB2 LEU 62 HB2 LEU 62 1.671 1.883 -1.086 470 HB3 LEU 62 HB3 LEU 62 1.350 3.193 0.027 471 HG LEU 62 HG LEU 62 2.484 0.577 0.978 472 HD11 LEU 62 HD11 LEU 62 3.968 1.501 -0.781 473 HD12 LEU 62 HD12 LEU 62 4.714 1.461 0.822 474 HD13 LEU 62 HD13 LEU 62 4.099 2.983 0.164 475 HD21 LEU 62 HD21 LEU 62 2.671 3.362 2.083 476 HD22 LEU 62 HD22 LEU 62 3.270 1.883 2.834 477 HD23 LEU 62 HD23 LEU 62 1.536 2.125 2.623 478 H ILE 63 H ILE 63 -1.694 2.273 1.871 479 HA ILE 63 HA ILE 63 -3.559 3.345 -0.074 480 HB ILE 63 HB ILE 63 -3.887 3.643 2.888 481 HG12 ILE 63 HG13 ILE 63 -3.104 1.339 2.628 482 HG13 ILE 63 HG12 ILE 63 -4.800 1.386 3.091 483 HG21 ILE 63 HG21 ILE 63 -5.929 2.825 0.856 484 HG22 ILE 63 HG22 ILE 63 -5.519 4.510 1.166 485 HG23 ILE 63 HG23 ILE 63 -6.184 3.513 2.457 486 HD11 ILE 63 HD11 ILE 63 -3.761 0.928 0.321 487 HD12 ILE 63 HD12 ILE 63 -5.450 0.920 0.824 488 HD13 ILE 63 HD13 ILE 63 -4.344 -0.311 1.430 489 H GLY 64 H GLY 64 -3.232 5.434 -0.775 490 HA2 GLY 64 HA3 GLY 64 -1.909 7.376 0.903 491 HA3 GLY 64 HA2 GLY 64 -2.584 7.671 -0.683 492 H LYS 65 H LYS 65 -2.808 9.084 2.002 493 HA LYS 65 HA LYS 65 -5.334 8.798 3.128 494 HB2 LYS 65 HB2 LYS 65 -3.413 11.076 2.937 495 HB3 LYS 65 HB3 LYS 65 -5.054 11.415 3.460 496 HG2 LYS 65 HG2 LYS 65 -4.267 11.000 5.500 497 HG3 LYS 65 HG3 LYS 65 -4.406 9.319 5.055 498 HD2 LYS 65 HD2 LYS 65 -2.084 9.214 4.476 499 HD3 LYS 65 HD3 LYS 65 -1.922 10.962 4.643 500 HE2 LYS 65 HE2 LYS 65 -2.303 10.843 7.003 501 HE3 LYS 65 HE3 LYS 65 -2.702 9.134 6.898 502 HZ1 LYS 65 HZ1 LYS 65 -0.040 10.282 6.257 503 HZ2 LYS 65 HZ2 LYS 65 -0.443 8.636 6.315 504 HZ3 LYS 65 HZ3 LYS 65 -0.447 9.560 7.734 505 H VAL 66 H VAL 66 -7.334 9.402 2.580 506 HA VAL 66 HA VAL 66 -7.771 10.502 -0.066 507 HB VAL 66 HB VAL 66 -9.175 8.657 0.714 508 HG11 VAL 66 HG21 VAL 66 -10.916 9.033 2.410 509 HG12 VAL 66 HG22 VAL 66 -10.207 10.611 2.756 510 HG13 VAL 66 HG23 VAL 66 -9.286 9.142 3.076 511 HG21 VAL 66 HG13 VAL 66 -10.081 10.111 -0.985 512 HG22 VAL 66 HG11 VAL 66 -10.704 11.207 0.249 513 HG23 VAL 66 HG12 VAL 66 -11.369 9.581 0.097 514 H ASP 67 H ASP 67 -9.129 12.339 -0.422 515 HA ASP 67 HA ASP 67 -8.280 14.499 1.291 516 HB2 ASP 67 HB2 ASP 67 -8.327 14.620 -1.238 517 HB3 ASP 67 HB3 ASP 67 -10.082 14.705 -1.125 518 H GLU 68 H GLU 68 -9.355 15.041 3.029 519 HA GLU 68 HA GLU 68 -12.074 14.203 3.441 520 HB2 GLU 68 HB2 GLU 68 -10.118 15.674 5.168 521 HB3 GLU 68 HB3 GLU 68 -11.735 15.246 5.692 522 HG2 GLU 68 HG3 GLU 68 -9.632 13.293 4.798 523 HG3 GLU 68 HG2 GLU 68 -10.003 13.693 6.473 524 H SER 69 H SER 69 -10.448 17.135 2.550 525 HA SER 69 HA SER 69 -12.533 18.896 3.351 526 HB2 SER 69 HB3 SER 69 -11.280 20.351 1.482 527 HB3 SER 69 HB2 SER 69 -10.620 20.115 3.100 528 HG SER 69 HG SER 69 -10.012 18.282 1.033 529 H LYS 70 H LYS 70 -11.736 17.234 0.326 530 HA LYS 70 HA LYS 70 -14.180 18.213 -0.909 531 HB2 LYS 70 HB2 LYS 70 -12.178 16.207 -1.962 532 HB3 LYS 70 HB3 LYS 70 -13.456 16.994 -2.875 533 HG2 LYS 70 HG2 LYS 70 -11.068 18.336 -1.654 534 HG3 LYS 70 HG3 LYS 70 -11.330 18.011 -3.367 535 HD2 LYS 70 HD2 LYS 70 -13.155 19.695 -1.683 536 HD3 LYS 70 HD3 LYS 70 -11.829 20.353 -2.633 537 HE2 LYS 70 HE2 LYS 70 -14.107 18.725 -3.726 538 HE3 LYS 70 HE3 LYS 70 -14.031 20.483 -3.767 539 HZ1 LYS 70 HZ1 LYS 70 -13.328 19.556 -5.865 540 HZ2 LYS 70 HZ2 LYS 70 -12.145 18.618 -5.107 541 HZ3 LYS 70 HZ3 LYS 70 -12.011 20.303 -5.112 542 H LYS 71 H LYS 71 -14.794 16.849 1.357 543 HA LYS 71 HA LYS 71 -15.411 14.171 1.049 544 HB2 LYS 71 HB2 LYS 71 -17.094 14.525 2.797 545 HB3 LYS 71 HB3 LYS 71 -15.533 15.211 3.204 546 HG2 LYS 71 HG2 LYS 71 -16.309 17.415 2.601 547 HG3 LYS 71 HG3 LYS 71 -17.858 16.727 2.126 548 HD2 LYS 71 HD2 LYS 71 -16.707 16.451 4.871 549 HD3 LYS 71 HD3 LYS 71 -17.792 17.770 4.423 550 HE2 LYS 71 HE2 LYS 71 -19.481 16.068 3.781 551 HE3 LYS 71 HE3 LYS 71 -18.381 14.818 4.360 552 HZ1 LYS 71 HZ1 LYS 71 -19.994 15.329 6.043 553 HZ2 LYS 71 HZ2 LYS 71 -19.597 16.969 5.997 554 HZ3 LYS 71 HZ3 LYS 71 -18.471 15.845 6.564 555 H ARG 72 H ARG 72 -16.939 13.117 -0.043 556 HA ARG 72 HA ARG 72 -18.413 14.560 -2.000 557 HB2 ARG 72 HB2 ARG 72 -17.951 11.703 -1.393 558 HB3 ARG 72 HB3 ARG 72 -19.398 12.112 -2.313 559 HG2 ARG 72 HG2 ARG 72 -17.891 13.415 -3.837 560 HG3 ARG 72 HG3 ARG 72 -16.560 12.644 -3.011 561 HD2 ARG 72 HD2 ARG 72 -17.036 11.363 -4.977 562 HD3 ARG 72 HD3 ARG 72 -17.555 10.432 -3.575 563 HE ARG 72 HE ARG 72 -19.617 12.056 -4.779 564 HH11 ARG 72 HH11 ARG 72 -18.045 8.924 -4.778 565 HH12 ARG 72 HH12 ARG 72 -19.395 8.107 -5.504 566 HH21 ARG 72 HH21 ARG 72 -21.385 10.983 -5.756 567 HH22 ARG 72 HH22 ARG 72 -21.287 9.274 -6.053 568 H LYS 73 H LYS 73 -20.582 13.942 -2.511 569 HA LYS 73 HA LYS 73 -22.388 13.430 -0.300 570 HB2 LYS 73 HB2 LYS 73 -23.637 15.528 -1.621 571 HB3 LYS 73 HB3 LYS 73 -23.005 15.539 0.012 572 HG2 LYS 73 HG2 LYS 73 -22.093 17.404 -1.042 573 HG3 LYS 73 HG3 LYS 73 -20.797 16.215 -0.989 574 HD2 LYS 73 HD2 LYS 73 -21.552 15.559 -3.335 575 HD3 LYS 73 HD3 LYS 73 -22.466 17.065 -3.337 576 HE2 LYS 73 HE2 LYS 73 -20.431 18.329 -2.958 577 HE3 LYS 73 HE3 LYS 73 -19.504 16.835 -2.856 578 HZ1 LYS 73 HZ1 LYS 73 -20.020 16.375 -5.151 579 HZ2 LYS 73 HZ2 LYS 73 -19.298 17.896 -5.026 580 HZ3 LYS 73 HZ3 LYS 73 -20.965 17.769 -5.260 581 H ASP 74 H ASP 74 -24.597 12.875 -1.118 582 HA ASP 74 HA ASP 74 -24.132 11.335 -3.535 583 HB2 ASP 74 HB2 ASP 74 -25.132 10.493 -1.291 584 HB3 ASP 74 HB3 ASP 74 -26.622 11.193 -1.898 585 H ASN 75 H ASN 75 -26.892 11.041 -4.318 586 HA ASN 75 HA ASN 75 -26.949 13.104 -6.234 587 HB2 ASN 75 HB2 ASN 75 -29.175 12.186 -6.873 588 HB3 ASN 75 HB3 ASN 75 -27.907 10.974 -6.776 589 HD21 ASN 75 HD21 ASN 75 -29.315 9.286 -6.498 590 HD22 ASN 75 HD22 ASN 75 -30.213 9.044 -5.039 591 H GLU 76 H GLU 76 -28.282 12.959 -3.048 592 HA GLU 76 HA GLU 76 -30.075 15.219 -3.579 593 HB2 GLU 76 HB2 GLU 76 -30.811 13.257 -2.177 594 HB3 GLU 76 HB3 GLU 76 -29.615 13.741 -0.988 595 HG2 GLU 76 HG3 GLU 76 -30.765 15.962 -0.884 596 HG3 GLU 76 HG2 GLU 76 -32.061 15.249 -1.846 597 H GLY 77 H GLY 77 -26.944 14.619 -2.776 598 HA2 GLY 77 HA3 GLY 77 -25.283 16.162 -2.187 599 HA3 GLY 77 HA2 GLY 77 -26.541 17.282 -1.670 600 H ASN 78 H ASN 78 -26.365 13.924 -0.707 601 HA ASN 78 HA ASN 78 -26.665 14.640 2.028 602 HB2 ASN 78 HB2 ASN 78 -26.187 11.961 0.757 603 HB3 ASN 78 HB3 ASN 78 -26.627 12.201 2.444 604 HD21 ASN 78 HD21 ASN 78 -27.664 11.696 -0.676 605 HD22 ASN 78 HD22 ASN 78 -29.346 11.957 -0.437 606 H GLU 79 H GLU 79 -24.457 12.080 1.199 607 HA GLU 79 HA GLU 79 -22.020 13.383 1.589 608 HB2 GLU 79 HB2 GLU 79 -21.417 12.610 3.828 609 HB3 GLU 79 HB3 GLU 79 -22.781 13.714 3.900 610 HG2 GLU 79 HG3 GLU 79 -24.290 11.861 4.205 611 HG3 GLU 79 HG2 GLU 79 -22.957 10.732 3.981 612 H VAL 80 H VAL 80 -20.518 12.096 0.774 613 HA VAL 80 HA VAL 80 -20.838 9.170 0.995 614 HB VAL 80 HB VAL 80 -19.446 10.399 -1.356 615 HG11 VAL 80 HG21 VAL 80 -19.065 8.051 -0.911 616 HG12 VAL 80 HG22 VAL 80 -19.969 8.253 -2.414 617 HG13 VAL 80 HG23 VAL 80 -20.801 7.739 -0.946 618 HG21 VAL 80 HG13 VAL 80 -21.698 11.349 -1.429 619 HG22 VAL 80 HG11 VAL 80 -22.399 9.740 -1.261 620 HG23 VAL 80 HG12 VAL 80 -21.488 10.159 -2.712 621 H VAL 81 H VAL 81 -18.870 8.057 1.301 622 HA VAL 81 HA VAL 81 -16.601 9.832 1.814 623 HB VAL 81 HB VAL 81 -17.092 8.654 3.821 624 HG11 VAL 81 HG21 VAL 81 -18.485 6.880 2.921 625 HG12 VAL 81 HG22 VAL 81 -17.233 6.211 3.967 626 HG13 VAL 81 HG23 VAL 81 -17.068 6.102 2.215 627 HG21 VAL 81 HG13 VAL 81 -14.779 7.285 2.455 628 HG22 VAL 81 HG11 VAL 81 -15.066 7.316 4.194 629 HG23 VAL 81 HG12 VAL 81 -14.720 8.814 3.329 630 HA PRO 82 HA PRO 82 -15.133 8.214 -2.148 631 HB2 PRO 82 HB3 PRO 82 -12.992 10.077 -1.293 632 HB3 PRO 82 HB2 PRO 82 -13.804 9.935 -2.846 633 HG2 PRO 82 HG3 PRO 82 -14.355 11.900 -1.200 634 HG3 PRO 82 HG2 PRO 82 -15.606 11.161 -2.179 635 HD2 PRO 82 HD2 PRO 82 -15.105 10.913 0.701 636 HD3 PRO 82 HD3 PRO 82 -16.624 10.830 -0.195 637 H LYS 83 H LYS 83 -13.702 6.568 -2.492 638 HA LYS 83 HA LYS 83 -12.201 5.614 -0.232 639 HB2 LYS 83 HB2 LYS 83 -13.012 3.798 -1.297 640 HB3 LYS 83 HB3 LYS 83 -12.902 4.519 -2.899 641 HG2 LYS 83 HG2 LYS 83 -10.494 4.136 -2.895 642 HG3 LYS 83 HG3 LYS 83 -10.595 3.465 -1.268 643 HD2 LYS 83 HD2 LYS 83 -10.459 1.704 -2.963 644 HD3 LYS 83 HD3 LYS 83 -11.988 1.642 -2.088 645 HE2 LYS 83 HE2 LYS 83 -11.925 3.236 -4.581 646 HE3 LYS 83 HE3 LYS 83 -11.824 1.487 -4.750 647 HZ1 LYS 83 HZ1 LYS 83 -13.867 1.282 -3.476 648 HZ2 LYS 83 HZ2 LYS 83 -14.110 2.244 -4.842 649 HZ3 LYS 83 HZ3 LYS 83 -13.967 2.962 -3.320 650 HA PRO 84 HA PRO 84 -8.480 7.800 -1.013 651 HB2 PRO 84 HB3 PRO 84 -7.199 5.498 0.296 652 HB3 PRO 84 HB2 PRO 84 -7.219 7.197 0.773 653 HG2 PRO 84 HG3 PRO 84 -8.618 5.270 2.072 654 HG3 PRO 84 HG2 PRO 84 -9.121 6.965 2.003 655 HD2 PRO 84 HD2 PRO 84 -10.231 4.609 0.577 656 HD3 PRO 84 HD3 PRO 84 -11.010 6.124 1.068 657 H GLN 85 H GLN 85 -6.842 7.741 -2.504 658 HA GLN 85 HA GLN 85 -6.764 5.566 -4.356 659 HB2 GLN 85 HB2 GLN 85 -4.852 6.874 -5.382 660 HB3 GLN 85 HB3 GLN 85 -6.403 7.692 -5.320 661 HG2 GLN 85 HG2 GLN 85 -5.371 9.394 -4.382 662 HG3 GLN 85 HG3 GLN 85 -5.143 8.387 -2.955 663 HE21 GLN 85 HE21 GLN 85 -3.148 7.449 -2.581 664 HE22 GLN 85 HE22 GLN 85 -1.718 7.971 -3.400 665 H ARG 86 H ARG 86 -5.598 3.815 -4.294 666 HA ARG 86 HA ARG 86 -3.505 3.683 -2.219 667 HB2 ARG 86 HB2 ARG 86 -5.011 1.249 -3.128 668 HB3 ARG 86 HB3 ARG 86 -4.241 1.571 -1.570 669 HG2 ARG 86 HG2 ARG 86 -6.011 3.050 -0.939 670 HG3 ARG 86 HG3 ARG 86 -6.726 2.969 -2.543 671 HD2 ARG 86 HD2 ARG 86 -6.377 0.502 -0.876 672 HD3 ARG 86 HD3 ARG 86 -7.769 1.563 -0.660 673 HE ARG 86 HE ARG 86 -7.299 0.696 -3.382 674 HH11 ARG 86 HH11 ARG 86 -8.909 0.039 -0.345 675 HH12 ARG 86 HH12 ARG 86 -10.155 -0.935 -1.062 676 HH21 ARG 86 HH21 ARG 86 -8.945 -0.590 -4.341 677 HH22 ARG 86 HH22 ARG 86 -10.179 -1.302 -3.336 678 H HIS 87 H HIS 87 -1.675 2.511 -2.661 679 HA HIS 87 HA HIS 87 -1.222 1.902 -5.508 680 HB2 HIS 87 HB3 HIS 87 0.768 2.621 -3.348 681 HB3 HIS 87 HB2 HIS 87 1.147 2.370 -5.040 682 HD1 HIS 87 HD1 HIS 87 -0.433 4.129 -6.646 683 HD2 HIS 87 HD2 HIS 87 0.529 5.229 -2.754 684 HE1 HIS 87 HE1 HIS 87 -0.705 6.627 -6.559 685 HE2 HIS 87 HE2 HIS 87 0.062 7.284 -4.250 686 H MET 88 H MET 88 -1.256 -0.252 -5.870 687 HA MET 88 HA MET 88 -0.475 -1.996 -3.638 688 HB2 MET 88 HB3 MET 88 -2.790 -2.327 -4.396 689 HB3 MET 88 HB2 MET 88 -2.202 -2.689 -6.016 690 HG2 MET 88 HG3 MET 88 -0.870 -4.549 -4.989 691 HG3 MET 88 HG2 MET 88 -1.753 -4.268 -3.506 692 HE1 MET 88 HE1 MET 88 -4.182 -4.944 -3.050 693 HE2 MET 88 HE2 MET 88 -5.350 -5.381 -4.295 694 HE3 MET 88 HE3 MET 88 -4.706 -3.740 -4.227 695 H PHE 89 H PHE 89 1.237 -3.245 -3.780 696 HA PHE 89 HA PHE 89 2.430 -3.678 -6.434 697 HB2 PHE 89 HB3 PHE 89 4.158 -3.897 -4.043 698 HB3 PHE 89 HB2 PHE 89 4.501 -3.184 -5.617 699 HD1 PHE 89 HD2 PHE 89 3.625 -0.902 -6.127 700 HD2 PHE 89 HD1 PHE 89 3.542 -2.557 -2.215 701 HE1 PHE 89 HE2 PHE 89 3.360 1.352 -5.189 702 HE2 PHE 89 HE1 PHE 89 3.278 -0.309 -1.269 703 HZ PHE 89 HZ PHE 89 3.126 1.632 -2.723 704 H SER 90 H SER 90 2.417 -5.729 -7.019 705 HA SER 90 HA SER 90 1.829 -7.784 -5.077 706 HB2 SER 90 HB3 SER 90 2.165 -8.003 -8.072 707 HB3 SER 90 HB2 SER 90 1.495 -9.234 -7.012 708 HG SER 90 HG SER 90 -0.212 -7.788 -6.531 709 H PHE 91 H PHE 91 3.278 -9.062 -4.194 710 HA PHE 91 HA PHE 91 5.956 -9.192 -5.407 711 HB2 PHE 91 HB3 PHE 91 4.997 -9.465 -2.574 712 HB3 PHE 91 HB2 PHE 91 6.507 -10.224 -3.069 713 HD1 PHE 91 HD2 PHE 91 8.112 -8.629 -4.434 714 HD2 PHE 91 HD1 PHE 91 5.116 -7.333 -1.713 715 HE1 PHE 91 HE2 PHE 91 9.314 -6.508 -4.131 716 HE2 PHE 91 HE1 PHE 91 6.321 -5.211 -1.406 717 HZ PHE 91 HZ PHE 91 8.415 -4.793 -2.618 718 H ASN 92 H ASN 92 7.087 -11.342 -4.807 719 HA ASN 92 HA ASN 92 5.256 -13.545 -5.500 720 HB2 ASN 92 HB2 ASN 92 8.135 -13.142 -6.338 721 HB3 ASN 92 HB3 ASN 92 7.162 -14.556 -6.720 722 HD21 ASN 92 HD21 ASN 92 4.734 -13.022 -7.261 723 HD22 ASN 92 HD22 ASN 92 4.997 -12.234 -8.772 724 H ASN 93 H ASN 93 7.084 -12.300 -3.110 725 HA ASN 93 HA ASN 93 7.318 -14.923 -1.827 726 HB2 ASN 93 HB2 ASN 93 9.554 -14.198 -2.784 727 HB3 ASN 93 HB3 ASN 93 9.498 -12.822 -1.695 728 HD21 ASN 93 HD21 ASN 93 11.478 -14.873 -1.806 729 HD22 ASN 93 HD22 ASN 93 11.476 -15.667 -0.268 730 H ARG 94 H ARG 94 6.524 -14.912 0.176 731 HA ARG 94 HA ARG 94 5.249 -12.567 1.146 732 HB2 ARG 94 HB2 ARG 94 4.514 -15.006 1.458 733 HB3 ARG 94 HB3 ARG 94 5.679 -15.061 2.764 734 HG2 ARG 94 HG2 ARG 94 3.685 -12.865 2.763 735 HG3 ARG 94 HG3 ARG 94 3.140 -14.489 3.180 736 HD2 ARG 94 HD2 ARG 94 4.688 -14.619 4.978 737 HD3 ARG 94 HD3 ARG 94 5.488 -13.139 4.464 738 HE ARG 94 HE ARG 94 3.024 -12.248 4.935 739 HH11 ARG 94 HH11 ARG 94 5.039 -14.380 6.845 740 HH12 ARG 94 HH12 ARG 94 4.388 -13.848 8.363 741 HH21 ARG 94 HH21 ARG 94 2.174 -11.537 6.936 742 HH22 ARG 94 HH22 ARG 94 2.763 -12.226 8.414 743 H THR 95 H THR 95 8.339 -14.023 1.687 744 HA THR 95 HA THR 95 8.918 -12.715 4.144 745 HB THR 95 HB THR 95 10.831 -13.697 2.017 746 HG1 THR 95 HG1 THR 95 10.956 -15.428 3.792 747 HG21 THR 95 HG21 THR 95 11.816 -12.091 3.584 748 HG22 THR 95 HG22 THR 95 12.482 -13.711 3.804 749 HG23 THR 95 HG23 THR 95 11.281 -13.087 4.936 750 H VAL 96 H VAL 96 10.077 -12.048 0.843 751 HA VAL 96 HA VAL 96 11.180 -9.582 1.060 752 HB VAL 96 HB VAL 96 9.263 -10.474 -1.112 753 HG11 VAL 96 HG21 VAL 96 10.428 -8.823 -2.531 754 HG12 VAL 96 HG22 VAL 96 11.331 -8.265 -1.123 755 HG13 VAL 96 HG23 VAL 96 9.576 -8.063 -1.182 756 HG21 VAL 96 HG13 VAL 96 11.286 -11.134 -2.323 757 HG22 VAL 96 HG11 VAL 96 11.153 -11.997 -0.791 758 HG23 VAL 96 HG12 VAL 96 12.278 -10.649 -0.947 759 H MET 97 H MET 97 7.725 -10.155 0.409 760 HA MET 97 HA MET 97 7.065 -7.428 0.579 761 HB2 MET 97 HB3 MET 97 4.792 -8.114 0.426 762 HB3 MET 97 HB2 MET 97 5.756 -9.183 -0.586 763 HG2 MET 97 HG3 MET 97 4.814 -10.888 0.402 764 HG3 MET 97 HG2 MET 97 5.609 -10.427 1.907 765 HE1 MET 97 HE1 MET 97 4.401 -10.055 3.952 766 HE2 MET 97 HE2 MET 97 2.885 -9.168 4.115 767 HE3 MET 97 HE3 MET 97 4.318 -8.355 3.482 768 H ASP 98 H ASP 98 7.370 -9.919 3.034 769 HA ASP 98 HA ASP 98 6.023 -8.453 5.094 770 HB2 ASP 98 HB2 ASP 98 6.451 -10.870 5.307 771 HB3 ASP 98 HB3 ASP 98 8.189 -10.563 5.314 772 H ASN 99 H ASN 99 9.182 -8.501 3.724 773 HA ASN 99 HA ASN 99 10.485 -6.994 5.783 774 HB2 ASN 99 HB2 ASN 99 11.247 -7.632 2.920 775 HB3 ASN 99 HB3 ASN 99 12.308 -6.808 4.051 776 HD21 ASN 99 HD21 ASN 99 12.412 -9.456 2.619 777 HD22 ASN 99 HD22 ASN 99 12.735 -10.601 3.877 778 H ILE 100 H ILE 100 9.363 -6.331 2.516 779 HA ILE 100 HA ILE 100 9.794 -3.574 2.414 780 HB ILE 100 HB ILE 100 7.641 -5.276 1.138 781 HG12 ILE 100 HG13 ILE 100 9.989 -5.848 0.585 782 HG13 ILE 100 HG12 ILE 100 9.083 -5.265 -0.808 783 HG21 ILE 100 HG21 ILE 100 7.223 -3.496 -0.401 784 HG22 ILE 100 HG22 ILE 100 8.526 -2.532 0.280 785 HG23 ILE 100 HG23 ILE 100 7.073 -2.838 1.229 786 HD11 ILE 100 HD11 ILE 100 10.080 -3.021 -0.417 787 HD12 ILE 100 HD12 ILE 100 11.234 -4.278 -0.870 788 HD13 ILE 100 HD13 ILE 100 11.108 -3.761 0.810 789 H LYS 101 H LYS 101 6.847 -5.364 3.268 790 HA LYS 101 HA LYS 101 5.220 -3.239 3.958 791 HB2 LYS 101 HB2 LYS 101 4.129 -5.270 3.791 792 HB3 LYS 101 HB3 LYS 101 5.355 -6.129 4.721 793 HG2 LYS 101 HG2 LYS 101 4.232 -4.309 6.508 794 HG3 LYS 101 HG3 LYS 101 2.873 -4.959 5.590 795 HD2 LYS 101 HD2 LYS 101 2.981 -6.598 7.158 796 HD3 LYS 101 HD3 LYS 101 4.214 -7.240 6.072 797 HE2 LYS 101 HE2 LYS 101 5.961 -6.089 7.427 798 HE3 LYS 101 HE3 LYS 101 4.677 -5.541 8.522 799 HZ1 LYS 101 HZ1 LYS 101 5.417 -8.377 8.000 800 HZ2 LYS 101 HZ2 LYS 101 4.157 -7.861 9.006 801 HZ3 LYS 101 HZ3 LYS 101 5.755 -7.490 9.404 802 H MET 102 H MET 102 7.424 -5.122 6.050 803 HA MET 102 HA MET 102 6.657 -3.730 8.398 804 HB2 MET 102 HB3 MET 102 8.232 -5.010 9.546 805 HB3 MET 102 HB2 MET 102 7.811 -6.045 8.193 806 HG2 MET 102 HG3 MET 102 9.767 -5.454 7.023 807 HG3 MET 102 HG2 MET 102 10.176 -4.270 8.252 808 HE1 MET 102 HE1 MET 102 11.879 -6.748 7.044 809 HE2 MET 102 HE2 MET 102 12.756 -7.291 8.472 810 HE3 MET 102 HE3 MET 102 12.593 -5.567 8.136 811 H THR 103 H THR 103 8.935 -3.115 5.881 812 HA THR 103 HA THR 103 10.543 -1.201 7.201 813 HB THR 103 HB THR 103 9.832 -1.573 4.284 814 HG1 THR 103 HG1 THR 103 11.126 -3.231 4.855 815 HG21 THR 103 HG21 THR 103 11.745 -0.140 3.769 816 HG22 THR 103 HG22 THR 103 11.907 0.239 5.489 817 HG23 THR 103 HG23 THR 103 10.452 0.729 4.613 818 H LEU 104 H LEU 104 7.668 -0.977 5.175 819 HA LEU 104 HA LEU 104 7.562 1.848 5.211 820 HB2 LEU 104 HB2 LEU 104 5.388 -0.147 4.585 821 HB3 LEU 104 HB3 LEU 104 5.347 1.549 4.188 822 HG LEU 104 HG LEU 104 7.532 -0.170 3.097 823 HD11 LEU 104 HD11 LEU 104 5.619 -1.421 2.500 824 HD12 LEU 104 HD12 LEU 104 6.092 -0.481 1.085 825 HD13 LEU 104 HD13 LEU 104 4.729 0.037 2.077 826 HD21 LEU 104 HD21 LEU 104 7.615 2.271 2.852 827 HD22 LEU 104 HD22 LEU 104 6.067 2.194 2.004 828 HD23 LEU 104 HD23 LEU 104 7.500 1.427 1.310 829 H GLN 105 H GLN 105 5.409 -0.556 6.730 830 HA GLN 105 HA GLN 105 3.787 1.186 8.105 831 HB2 GLN 105 HB2 GLN 105 4.701 -1.508 9.087 832 HB3 GLN 105 HB3 GLN 105 3.336 -0.612 9.730 833 HG2 GLN 105 HG2 GLN 105 2.370 -0.682 7.404 834 HG3 GLN 105 HG3 GLN 105 3.635 -1.843 7.018 835 HE21 GLN 105 HE21 GLN 105 3.665 -3.816 8.150 836 HE22 GLN 105 HE22 GLN 105 2.215 -4.464 8.815 837 H GLN 106 H GLN 106 7.091 0.364 8.946 838 HA GLN 106 HA GLN 106 6.914 1.241 11.649 839 HB2 GLN 106 HB2 GLN 106 9.126 0.646 9.758 840 HB3 GLN 106 HB3 GLN 106 9.466 1.411 11.282 841 HG2 GLN 106 HG2 GLN 106 8.381 -0.482 12.437 842 HG3 GLN 106 HG3 GLN 106 8.156 -1.254 10.868 843 HE21 GLN 106 HE21 GLN 106 9.951 -2.010 9.747 844 HE22 GLN 106 HE22 GLN 106 11.462 -2.311 10.536 845 H ILE 107 H ILE 107 7.546 2.638 8.581 846 HA ILE 107 HA ILE 107 8.221 5.285 9.461 847 HB ILE 107 HB ILE 107 7.098 4.276 6.827 848 HG12 ILE 107 HG13 ILE 107 9.981 4.902 7.405 849 HG13 ILE 107 HG12 ILE 107 9.319 3.290 7.606 850 HG21 ILE 107 HG21 ILE 107 8.580 6.835 7.357 851 HG22 ILE 107 HG22 ILE 107 6.823 6.692 7.257 852 HG23 ILE 107 HG23 ILE 107 7.816 6.317 5.854 853 HD11 ILE 107 HD11 ILE 107 9.449 4.883 5.060 854 HD12 ILE 107 HD12 ILE 107 8.699 3.299 5.228 855 HD13 ILE 107 HD13 ILE 107 10.431 3.481 5.484 856 H ILE 108 H ILE 108 5.325 3.585 8.350 857 HA ILE 108 HA ILE 108 3.674 5.885 8.271 858 HB ILE 108 HB ILE 108 2.670 3.074 8.664 859 HG12 ILE 108 HG13 ILE 108 4.086 4.348 6.382 860 HG13 ILE 108 HG12 ILE 108 4.156 2.693 6.954 861 HG21 ILE 108 HG21 ILE 108 1.010 4.880 8.714 862 HG22 ILE 108 HG22 ILE 108 0.804 3.851 7.294 863 HG23 ILE 108 HG23 ILE 108 1.570 5.434 7.135 864 HD11 ILE 108 HD11 ILE 108 1.872 2.364 5.998 865 HD12 ILE 108 HD12 ILE 108 3.150 2.680 4.824 866 HD13 ILE 108 HD13 ILE 108 2.029 3.966 5.270 867 H SER 109 H SER 109 4.111 3.352 10.718 868 HA SER 109 HA SER 109 2.382 4.384 12.653 869 HB2 SER 109 HB3 SER 109 4.972 2.878 13.077 870 HB3 SER 109 HB2 SER 109 3.687 3.074 14.270 871 HG SER 109 HG SER 109 3.879 1.325 12.182 872 H ARG 110 H ARG 110 5.552 5.293 11.662 873 HA ARG 110 HA ARG 110 6.221 7.005 13.793 874 HB2 ARG 110 HB2 ARG 110 8.090 6.546 12.526 875 HB3 ARG 110 HB3 ARG 110 7.158 6.407 11.068 876 HG2 ARG 110 HG2 ARG 110 7.023 8.749 10.841 877 HG3 ARG 110 HG3 ARG 110 7.931 8.991 12.342 878 HD2 ARG 110 HD2 ARG 110 9.800 7.736 11.345 879 HD3 ARG 110 HD3 ARG 110 8.893 7.608 9.847 880 HE ARG 110 HE ARG 110 9.173 10.317 10.691 881 HH11 ARG 110 HH11 ARG 110 10.821 7.690 9.084 882 HH12 ARG 110 HH12 ARG 110 11.869 8.727 8.174 883 HH21 ARG 110 HH21 ARG 110 10.550 11.700 9.497 884 HH22 ARG 110 HH22 ARG 110 11.721 11.018 8.418 885 H TYR 111 H TYR 111 4.249 7.292 10.935 886 HA TYR 111 HA TYR 111 3.932 10.145 11.349 887 HB2 TYR 111 HB3 TYR 111 3.288 8.320 9.067 888 HB3 TYR 111 HB2 TYR 111 2.583 9.927 9.167 889 HD1 TYR 111 HD2 TYR 111 4.015 11.926 9.010 890 HD2 TYR 111 HD1 TYR 111 5.614 8.018 8.608 891 HE1 TYR 111 HE2 TYR 111 6.079 12.874 8.071 892 HE2 TYR 111 HE1 TYR 111 7.684 8.947 7.662 893 HH TYR 111 HH TYR 111 8.394 12.302 7.756 894 H LYS 112 H LYS 112 2.255 7.169 11.846 895 HA LYS 112 HA LYS 112 -0.336 8.266 12.286 896 HB2 LYS 112 HB2 LYS 112 1.032 5.762 13.271 897 HB3 LYS 112 HB3 LYS 112 -0.588 6.192 13.796 898 HG2 LYS 112 HG2 LYS 112 -1.457 5.347 11.942 899 HG3 LYS 112 HG3 LYS 112 -0.361 6.305 10.938 900 HD2 LYS 112 HD2 LYS 112 1.238 4.660 10.863 901 HD3 LYS 112 HD3 LYS 112 0.699 3.909 12.357 902 HE2 LYS 112 HE2 LYS 112 -0.841 3.850 9.774 903 HE3 LYS 112 HE3 LYS 112 0.267 2.593 10.314 904 HZ1 LYS 112 HZ1 LYS 112 -2.192 3.461 11.716 905 HZ2 LYS 112 HZ2 LYS 112 -1.106 2.301 12.291 906 HZ3 LYS 112 HZ3 LYS 112 -1.986 2.004 10.872 907 H ASP 113 H ASP 113 2.534 7.789 14.229 908 HA ASP 113 HA ASP 113 1.494 8.794 16.662 909 HB2 ASP 113 HB2 ASP 113 3.559 7.505 16.584 910 HB3 ASP 113 HB3 ASP 113 4.318 8.732 15.581 911 H ALA 114 H ALA 114 2.201 10.261 13.716 912 HA ALA 114 HA ALA 114 2.489 12.923 14.935 913 HB1 ALA 114 HB1 ALA 114 3.372 13.652 12.782 914 HB2 ALA 114 HB2 ALA 114 3.108 12.041 12.117 915 HB3 ALA 114 HB3 ALA 114 4.288 12.281 13.405 916 H ASP 115 H ASP 115 0.068 11.052 14.061 917 HA ASP 115 HA ASP 115 -1.450 13.240 12.799 918 HB2 ASP 115 HB2 ASP 115 -1.102 11.383 11.215 919 HB3 ASP 115 HB3 ASP 115 -1.830 10.270 12.362 920 H1 GLY 242 H1 GLY 242 -9.825 -15.991 34.178 921 H2 GLY 242 H2 GLY 242 -8.897 -16.043 32.766 922 H3 GLY 242 H3 GLY 242 -10.555 -16.345 32.695 923 HA2 GLY 242 HA2 GLY 242 -11.035 -14.079 33.358 924 HA3 GLY 242 HA3 GLY 242 -9.308 -13.761 33.436 925 H GLY 243 H GLY 243 -11.063 -12.286 31.823 926 HA2 GLY 243 HA3 GLY 243 -10.764 -11.372 29.685 927 HA3 GLY 243 HA2 GLY 243 -9.885 -12.819 29.212 928 H GLY 244 H GLY 244 -12.719 -11.142 28.833 929 HA2 GLY 244 HA3 GLY 244 -14.192 -13.595 28.093 930 HA3 GLY 244 HA2 GLY 244 -14.965 -12.112 28.637 931 H GLY 245 H GLY 245 -12.259 -11.935 26.483 932 HA2 GLY 245 HA3 GLY 245 -14.100 -11.436 24.240 933 HA3 GLY 245 HA2 GLY 245 -12.853 -10.268 24.644 934 H TYR 246 H TYR 246 -13.561 -13.327 23.193 935 HA TYR 246 HA TYR 246 -11.119 -13.195 21.680 936 HB2 TYR 246 HB3 TYR 246 -10.328 -14.366 23.694 937 HB3 TYR 246 HB2 TYR 246 -11.598 -15.568 23.498 938 HD1 TYR 246 HD1 TYR 246 -8.647 -14.126 21.730 939 HD2 TYR 246 HD2 TYR 246 -11.176 -17.505 22.274 940 HE1 TYR 246 HE1 TYR 246 -7.148 -15.468 20.317 941 HE2 TYR 246 HE2 TYR 246 -9.682 -18.855 20.862 942 HH TYR 246 HH TYR 246 -8.008 -18.480 19.060 943 H ASP 247 H ASP 247 -12.205 -13.206 19.799 944 HA ASP 247 HA ASP 247 -14.061 -15.423 19.280 945 HB2 ASP 247 HB2 ASP 247 -14.882 -13.178 18.688 946 HB3 ASP 247 HB3 ASP 247 -13.488 -12.937 17.642 947 H VAL 248 H VAL 248 -13.561 -17.022 17.856 948 HA VAL 248 HA VAL 248 -10.822 -17.256 17.016 949 HB VAL 248 HB VAL 248 -13.130 -19.051 16.245 950 HG11 VAL 248 HG21 VAL 248 -11.396 -20.751 15.964 951 HG12 VAL 248 HG22 VAL 248 -10.160 -19.567 16.385 952 HG13 VAL 248 HG23 VAL 248 -11.109 -19.365 14.913 953 HG21 VAL 248 HG13 VAL 248 -12.503 -20.447 18.153 954 HG22 VAL 248 HG11 VAL 248 -13.029 -18.847 18.672 955 HG23 VAL 248 HG12 VAL 248 -11.311 -19.243 18.644 956 H GLU 249 H GLU 249 -10.957 -15.227 15.780 957 HA GLU 249 HA GLU 249 -12.546 -15.035 13.444 958 HB2 GLU 249 HB2 GLU 249 -11.602 -13.095 14.718 959 HB3 GLU 249 HB3 GLU 249 -10.017 -13.514 14.083 960 HG2 GLU 249 HG3 GLU 249 -10.968 -11.720 12.793 961 HG3 GLU 249 HG2 GLU 249 -10.858 -13.174 11.801 962 H MET 250 H MET 250 -12.299 -16.068 11.637 963 HA MET 250 HA MET 250 -9.632 -16.507 10.539 964 HB2 MET 250 HB3 MET 250 -10.344 -18.609 11.744 965 HB3 MET 250 HB2 MET 250 -11.708 -18.710 10.640 966 HG2 MET 250 HG3 MET 250 -10.105 -18.810 8.752 967 HG3 MET 250 HG2 MET 250 -8.791 -18.862 9.926 968 HE1 MET 250 HE1 MET 250 -7.878 -21.060 8.816 969 HE2 MET 250 HE2 MET 250 -9.189 -21.050 7.637 970 HE3 MET 250 HE3 MET 250 -8.841 -22.513 8.556 971 H GLU 251 H GLU 251 -11.370 -14.550 9.914 972 HA GLU 251 HA GLU 251 -13.340 -15.149 8.013 973 HB2 GLU 251 HB2 GLU 251 -13.013 -13.016 9.362 974 HB3 GLU 251 HB3 GLU 251 -11.794 -12.566 8.177 975 HG2 GLU 251 HG3 GLU 251 -13.490 -12.711 6.409 976 HG3 GLU 251 HG2 GLU 251 -14.703 -13.093 7.628 977 H SER 252 H SER 252 -13.318 -15.220 5.814 978 HA SER 252 HA SER 252 -10.921 -16.110 4.596 979 HB2 SER 252 HB3 SER 252 -13.610 -15.415 3.398 980 HB3 SER 252 HB2 SER 252 -12.305 -16.229 2.538 981 HG SER 252 HG SER 252 -13.090 -17.326 4.977 982 H GLU 253 H GLU 253 -9.342 -14.800 4.146 983 HA GLU 253 HA GLU 253 -9.538 -12.020 3.805 984 HB2 GLU 253 HB2 GLU 253 -7.304 -13.863 2.936 985 HB3 GLU 253 HB3 GLU 253 -7.181 -12.121 3.143 986 HG2 GLU 253 HG3 GLU 253 -7.875 -14.030 5.361 987 HG3 GLU 253 HG2 GLU 253 -6.238 -13.479 5.008 988 H GLU 254 H GLU 254 -9.562 -14.670 1.497 989 HA GLU 254 HA GLU 254 -9.029 -13.089 -0.782 990 HB2 GLU 254 HB2 GLU 254 -9.933 -15.090 -2.059 991 HB3 GLU 254 HB3 GLU 254 -8.544 -15.359 -1.030 992 HG2 GLU 254 HG3 GLU 254 -9.972 -17.194 -0.800 993 HG3 GLU 254 HG2 GLU 254 -10.110 -16.269 0.687 994 H GLU 255 H GLU 255 -11.936 -13.564 1.012 995 HA GLU 255 HA GLU 255 -13.788 -12.963 -1.031 996 HB2 GLU 255 HB2 GLU 255 -13.931 -12.612 1.954 997 HB3 GLU 255 HB3 GLU 255 -15.267 -12.195 0.891 998 HG2 GLU 255 HG3 GLU 255 -15.159 -14.560 0.032 999 HG3 GLU 255 HG2 GLU 255 -14.050 -14.899 1.357 1000 H SER 256 H SER 256 -11.623 -10.991 0.805 1001 HA SER 256 HA SER 256 -12.827 -8.526 -0.125 1002 HB2 SER 256 HB3 SER 256 -10.194 -9.000 1.303 1003 HB3 SER 256 HB2 SER 256 -10.958 -7.433 1.032 1004 HG SER 256 HG SER 256 -11.342 -9.088 3.054 1005 H ASP 257 H ASP 257 -12.749 -8.923 -2.369 1006 HA ASP 257 HA ASP 257 -10.459 -9.710 -3.795 1007 HB2 ASP 257 HB2 ASP 257 -12.956 -8.259 -4.651 1008 HB3 ASP 257 HB3 ASP 257 -11.680 -8.681 -5.787 1009 H ASP 258 H ASP 258 -11.429 -6.638 -2.553 1010 HA ASP 258 HA ASP 258 -9.938 -4.909 -4.156 1011 HB2 ASP 258 HB2 ASP 258 -10.840 -4.796 -1.301 1012 HB3 ASP 258 HB3 ASP 258 -9.732 -3.571 -1.908 1013 H ASP 259 H ASP 259 -8.958 -6.983 -1.511 1014 HA ASP 259 HA ASP 259 -6.192 -6.593 -2.221 1015 HB2 ASP 259 HB2 ASP 259 -5.530 -6.060 0.160 1016 HB3 ASP 259 HB3 ASP 259 -6.319 -4.763 -0.725 1017 H GLY 260 H GLY 260 -7.602 -7.758 0.842 1018 HA2 GLY 260 HA3 GLY 260 -7.713 -10.071 1.471 1019 HA3 GLY 260 HA2 GLY 260 -6.608 -10.434 0.145 1020 H PHE 261 H PHE 261 -5.987 -7.685 2.073 1021 HA PHE 261 HA PHE 261 -3.631 -9.003 3.229 1022 HB2 PHE 261 HB3 PHE 261 -3.903 -6.046 2.733 1023 HB3 PHE 261 HB2 PHE 261 -2.433 -6.974 2.978 1024 HD1 PHE 261 HD2 PHE 261 -3.270 -9.202 0.956 1025 HD2 PHE 261 HD1 PHE 261 -3.151 -4.959 0.771 1026 HE1 PHE 261 HE2 PHE 261 -3.000 -9.319 -1.483 1027 HE2 PHE 261 HE1 PHE 261 -2.879 -5.070 -1.664 1028 HZ PHE 261 HZ PHE 261 -2.805 -7.248 -2.798 1029 H VAL 262 H VAL 262 -2.803 -7.506 5.161 1030 HA VAL 262 HA VAL 262 -5.042 -6.396 6.682 1031 HB VAL 262 HB VAL 262 -4.784 -8.766 7.399 1032 HG11 VAL 262 HG21 VAL 262 -2.398 -9.033 7.050 1033 HG12 VAL 262 HG22 VAL 262 -2.823 -9.412 8.720 1034 HG13 VAL 262 HG23 VAL 262 -2.062 -7.870 8.332 1035 HG21 VAL 262 HG13 VAL 262 -4.718 -8.306 9.812 1036 HG22 VAL 262 HG11 VAL 262 -5.701 -7.132 8.938 1037 HG23 VAL 262 HG12 VAL 262 -4.079 -6.697 9.476 1038 H GLU 263 H GLU 263 -4.473 -4.716 8.033 1039 HA GLU 263 HA GLU 263 -1.836 -3.580 7.767 1040 HB2 GLU 263 HB2 GLU 263 -3.876 -2.157 7.904 1041 HB3 GLU 263 HB3 GLU 263 -4.142 -2.734 9.542 1042 HG2 GLU 263 HG3 GLU 263 -1.780 -1.819 10.015 1043 HG3 GLU 263 HG2 GLU 263 -1.993 -0.930 8.507 1044 H VAL 264 H VAL 264 -0.158 -4.053 9.070 1045 HA VAL 264 HA VAL 264 -0.752 -5.548 11.532 1046 HB VAL 264 HB VAL 264 1.940 -5.361 10.158 1047 HG11 VAL 264 HG21 VAL 264 2.443 -7.361 11.468 1048 HG12 VAL 264 HG22 VAL 264 0.826 -7.324 12.168 1049 HG13 VAL 264 HG23 VAL 264 1.966 -6.027 12.519 1050 HG21 VAL 264 HG13 VAL 264 0.299 -6.338 8.615 1051 HG22 VAL 264 HG11 VAL 264 -0.167 -7.509 9.849 1052 HG23 VAL 264 HG12 VAL 264 1.459 -7.544 9.170 1053 H ASP 265 H ASP 265 -0.973 -4.105 13.140 1054 HA ASP 265 HA ASP 265 1.083 -2.027 13.416 1055 HB2 ASP 265 HB2 ASP 265 -0.472 -0.829 14.866 1056 HB3 ASP 265 HB3 ASP 265 -1.217 -1.160 13.322 Start of MODEL 9 1 H2 PRO 1 H2 PRO 1 18.942 -5.008 3.443 2 H3 PRO 1 H3 PRO 1 18.093 -6.113 4.294 3 HA PRO 1 HA PRO 1 17.927 -5.380 1.621 4 HB2 PRO 1 HB3 PRO 1 17.227 -8.107 1.491 5 HB3 PRO 1 HB2 PRO 1 18.548 -7.303 0.630 6 HG2 PRO 1 HG3 PRO 1 18.603 -8.825 3.182 7 HG3 PRO 1 HG2 PRO 1 19.848 -8.680 1.930 8 HD2 PRO 1 HD2 PRO 1 20.101 -7.384 4.244 9 HD3 PRO 1 HD3 PRO 1 20.582 -6.611 2.724 10 H SER 2 H SER 2 16.285 -4.218 2.785 11 HA SER 2 HA SER 2 13.861 -5.761 3.158 12 HB2 SER 2 HB3 SER 2 14.897 -5.756 5.375 13 HB3 SER 2 HB2 SER 2 14.959 -4.012 5.310 14 HG SER 2 HG SER 2 12.714 -3.943 5.317 15 H HIS 3 H HIS 3 15.511 -2.727 2.816 16 HA HIS 3 HA HIS 3 13.044 -1.206 2.582 17 HB2 HIS 3 HB3 HIS 3 15.975 -0.473 2.415 18 HB3 HIS 3 HB2 HIS 3 14.709 0.677 2.019 19 HD1 HIS 3 HD1 HIS 3 15.979 -1.348 4.966 20 HD2 HIS 3 HD2 HIS 3 13.698 2.029 4.149 21 HE1 HIS 3 HE1 HIS 3 15.551 -0.264 7.193 22 HE2 HIS 3 HE2 HIS 3 14.254 1.827 6.665 23 H SER 4 H SER 4 14.070 -3.336 0.621 24 HA SER 4 HA SER 4 13.254 -1.991 -1.782 25 HB2 SER 4 HB3 SER 4 16.080 -3.087 -1.767 26 HB3 SER 4 HB2 SER 4 15.245 -2.266 -3.090 27 HG SER 4 HG SER 4 15.179 -0.654 -0.992 28 H GLY 5 H GLY 5 12.574 -3.426 -3.326 29 HA2 GLY 5 HA3 GLY 5 13.300 -6.131 -3.537 30 HA3 GLY 5 HA2 GLY 5 11.847 -6.015 -2.547 31 H ALA 6 H ALA 6 12.140 -7.176 -5.233 32 HA ALA 6 HA ALA 6 11.098 -5.280 -7.097 33 HB1 ALA 6 HB1 ALA 6 11.207 -8.280 -7.365 34 HB2 ALA 6 HB2 ALA 6 12.511 -7.169 -7.789 35 HB3 ALA 6 HB3 ALA 6 10.982 -7.105 -8.663 36 H ALA 7 H ALA 7 8.997 -5.025 -7.832 37 HA ALA 7 HA ALA 7 6.891 -6.773 -6.831 38 HB1 ALA 7 HB1 ALA 7 6.887 -3.818 -6.242 39 HB2 ALA 7 HB2 ALA 7 7.080 -5.113 -5.060 40 HB3 ALA 7 HB3 ALA 7 5.556 -4.934 -5.935 41 H ILE 8 H ILE 8 4.933 -6.557 -7.911 42 HA ILE 8 HA ILE 8 5.064 -5.315 -10.568 43 HB ILE 8 HB ILE 8 3.171 -7.333 -9.334 44 HG12 ILE 8 HG13 ILE 8 3.938 -8.775 -11.231 45 HG13 ILE 8 HG12 ILE 8 5.119 -7.545 -11.635 46 HG21 ILE 8 HG21 ILE 8 3.000 -6.075 -12.057 47 HG22 ILE 8 HG22 ILE 8 1.887 -5.827 -10.712 48 HG23 ILE 8 HG23 ILE 8 2.006 -7.413 -11.479 49 HD11 ILE 8 HD11 ILE 8 4.998 -9.116 -9.074 50 HD12 ILE 8 HD12 ILE 8 6.183 -7.866 -9.453 51 HD13 ILE 8 HD13 ILE 8 6.137 -9.354 -10.399 52 H PHE 9 H PHE 9 4.218 -3.369 -10.797 53 HA PHE 9 HA PHE 9 2.055 -2.602 -8.969 54 HB2 PHE 9 HB3 PHE 9 4.036 -1.358 -8.416 55 HB3 PHE 9 HB2 PHE 9 4.300 -0.936 -10.100 56 HD1 PHE 9 HD1 PHE 9 1.795 -0.490 -7.373 57 HD2 PHE 9 HD2 PHE 9 3.632 1.112 -10.857 58 HE1 PHE 9 HE1 PHE 9 0.614 1.638 -7.022 59 HE2 PHE 9 HE2 PHE 9 2.441 3.232 -10.518 60 HZ PHE 9 HZ PHE 9 0.931 3.499 -8.596 61 H GLU 10 H GLU 10 0.222 -2.632 -10.036 62 HA GLU 10 HA GLU 10 -1.392 -2.274 -11.574 63 HB2 GLU 10 HB2 GLU 10 0.559 -0.378 -12.878 64 HB3 GLU 10 HB3 GLU 10 -1.173 -0.455 -13.171 65 HG2 GLU 10 HG3 GLU 10 -1.535 0.105 -10.779 66 HG3 GLU 10 HG2 GLU 10 0.201 0.364 -10.630 67 H LYS 11 H LYS 11 0.113 -4.436 -11.818 68 HA LYS 11 HA LYS 11 0.143 -6.238 -13.151 69 HB2 LYS 11 HB2 LYS 11 -0.957 -4.527 -15.360 70 HB3 LYS 11 HB3 LYS 11 -1.021 -6.283 -15.235 71 HG2 LYS 11 HG2 LYS 11 -2.309 -4.381 -13.326 72 HG3 LYS 11 HG3 LYS 11 -3.147 -5.205 -14.626 73 HD2 LYS 11 HD2 LYS 11 -2.999 -7.227 -13.569 74 HD3 LYS 11 HD3 LYS 11 -1.621 -6.748 -12.601 75 HE2 LYS 11 HE2 LYS 11 -3.529 -6.874 -11.167 76 HE3 LYS 11 HE3 LYS 11 -3.106 -5.180 -11.401 77 HZ1 LYS 11 HZ1 LYS 11 -5.283 -6.631 -12.799 78 HZ2 LYS 11 HZ2 LYS 11 -4.862 -5.015 -13.063 79 HZ3 LYS 11 HZ3 LYS 11 -5.478 -5.495 -11.564 80 H VAL 12 H VAL 12 2.144 -3.723 -13.503 81 HA VAL 12 HA VAL 12 3.770 -5.240 -15.438 82 HB VAL 12 HB VAL 12 3.723 -3.139 -16.409 83 HG11 VAL 12 HG21 VAL 12 2.486 -1.998 -14.625 84 HG12 VAL 12 HG22 VAL 12 3.817 -1.008 -15.235 85 HG13 VAL 12 HG23 VAL 12 3.975 -1.856 -13.690 86 HG21 VAL 12 HG13 VAL 12 5.910 -2.019 -15.845 87 HG22 VAL 12 HG11 VAL 12 6.010 -3.745 -16.206 88 HG23 VAL 12 HG12 VAL 12 6.074 -3.193 -14.531 89 H SER 13 H SER 13 5.629 -6.135 -14.779 90 HA SER 13 HA SER 13 6.234 -6.177 -11.991 91 HB2 SER 13 HB3 SER 13 6.555 -8.183 -13.378 92 HB3 SER 13 HB2 SER 13 7.780 -7.336 -14.322 93 HG SER 13 HG SER 13 9.189 -7.598 -12.759 94 H GLY 14 H GLY 14 7.720 -5.131 -10.879 95 HA2 GLY 14 HA3 GLY 14 9.908 -3.809 -12.201 96 HA3 GLY 14 HA2 GLY 14 8.741 -2.735 -11.466 97 H ILE 15 H ILE 15 10.461 -2.004 -10.103 98 HA ILE 15 HA ILE 15 11.004 -3.862 -7.912 99 HB ILE 15 HB ILE 15 12.857 -1.669 -8.748 100 HG12 ILE 15 HG13 ILE 15 12.614 -3.377 -10.542 101 HG13 ILE 15 HG12 ILE 15 14.226 -3.278 -9.877 102 HG21 ILE 15 HG21 ILE 15 13.125 -2.376 -6.454 103 HG22 ILE 15 HG22 ILE 15 14.505 -2.912 -7.413 104 HG23 ILE 15 HG23 ILE 15 13.245 -4.059 -6.966 105 HD11 ILE 15 HD11 ILE 15 13.518 -5.561 -10.329 106 HD12 ILE 15 HD12 ILE 15 12.189 -5.359 -9.187 107 HD13 ILE 15 HD13 ILE 15 13.857 -5.293 -8.618 108 H ILE 16 H ILE 16 11.206 -2.946 -5.859 109 HA ILE 16 HA ILE 16 10.026 -0.266 -5.575 110 HB ILE 16 HB ILE 16 9.036 -2.786 -4.620 111 HG12 ILE 16 HG13 ILE 16 8.028 0.025 -4.181 112 HG13 ILE 16 HG12 ILE 16 7.797 -0.892 -5.664 113 HG21 ILE 16 HG21 ILE 16 10.319 -2.383 -2.586 114 HG22 ILE 16 HG22 ILE 16 8.594 -2.185 -2.274 115 HG23 ILE 16 HG23 ILE 16 9.628 -0.765 -2.449 116 HD11 ILE 16 HD11 ILE 16 6.773 -1.661 -2.947 117 HD12 ILE 16 HD12 ILE 16 6.529 -2.567 -4.439 118 HD13 ILE 16 HD13 ILE 16 5.821 -0.961 -4.256 119 H ALA 17 H ALA 17 11.127 1.102 -4.319 120 HA ALA 17 HA ALA 17 13.062 -0.010 -2.418 121 HB1 ALA 17 HB1 ALA 17 14.681 1.747 -3.081 122 HB2 ALA 17 HB2 ALA 17 13.629 2.140 -4.447 123 HB3 ALA 17 HB3 ALA 17 14.370 0.537 -4.323 124 H ILE 18 H ILE 18 12.243 0.599 -0.531 125 HA ILE 18 HA ILE 18 11.151 3.232 -0.071 126 HB ILE 18 HB ILE 18 11.910 1.249 2.062 127 HG12 ILE 18 HG13 ILE 18 9.258 0.914 1.925 128 HG13 ILE 18 HG12 ILE 18 9.568 1.259 0.226 129 HG21 ILE 18 HG21 ILE 18 10.296 2.471 3.407 130 HG22 ILE 18 HG22 ILE 18 9.893 3.497 2.031 131 HG23 ILE 18 HG23 ILE 18 11.505 3.588 2.752 132 HD11 ILE 18 HD11 ILE 18 9.570 -1.112 0.658 133 HD12 ILE 18 HD12 ILE 18 10.860 -0.915 1.840 134 HD13 ILE 18 HD13 ILE 18 11.158 -0.566 0.138 135 H ASN 19 H ASN 19 12.493 4.915 0.367 136 HA ASN 19 HA ASN 19 15.069 4.327 1.670 137 HB2 ASN 19 HB2 ASN 19 15.820 4.874 -0.447 138 HB3 ASN 19 HB3 ASN 19 14.471 5.959 -0.752 139 HD21 ASN 19 HD21 ASN 19 14.605 8.071 -0.167 140 HD22 ASN 19 HD22 ASN 19 16.066 8.812 0.390 141 H GLU 20 H GLU 20 15.275 5.340 3.613 142 HA GLU 20 HA GLU 20 13.943 7.958 3.669 143 HB2 GLU 20 HB2 GLU 20 15.198 6.481 5.992 144 HB3 GLU 20 HB3 GLU 20 14.200 7.916 6.068 145 HG2 GLU 20 HG3 GLU 20 12.292 6.613 5.261 146 HG3 GLU 20 HG2 GLU 20 13.312 5.178 5.269 147 H ASP 21 H ASP 21 15.796 8.545 2.201 148 HA ASP 21 HA ASP 21 17.766 9.853 3.947 149 HB2 ASP 21 HB2 ASP 21 18.961 8.633 2.235 150 HB3 ASP 21 HB3 ASP 21 17.878 9.222 0.984 151 H VAL 22 H VAL 22 14.911 9.930 2.570 152 HA VAL 22 HA VAL 22 15.135 12.379 0.989 153 HB VAL 22 HB VAL 22 14.499 10.201 -0.026 154 HG11 VAL 22 HG21 VAL 22 13.311 9.381 1.997 155 HG12 VAL 22 HG22 VAL 22 12.454 9.106 0.484 156 HG13 VAL 22 HG23 VAL 22 11.956 10.418 1.553 157 HG21 VAL 22 HG13 VAL 22 13.719 12.038 -1.275 158 HG22 VAL 22 HG11 VAL 22 12.419 12.364 -0.124 159 HG23 VAL 22 HG12 VAL 22 12.354 10.915 -1.134 160 H SER 23 H SER 23 13.067 13.643 0.816 161 HA SER 23 HA SER 23 11.881 14.612 3.147 162 HB2 SER 23 HB3 SER 23 11.770 15.355 0.574 163 HB3 SER 23 HB2 SER 23 10.275 14.427 0.614 164 HG SER 23 HG SER 23 9.752 16.506 1.140 165 HA PRO 24 HA PRO 24 9.497 11.990 5.233 166 HB2 PRO 24 HB3 PRO 24 6.840 11.774 4.432 167 HB3 PRO 24 HB2 PRO 24 7.465 12.992 5.548 168 HG2 PRO 24 HG3 PRO 24 7.058 13.181 2.580 169 HG3 PRO 24 HG2 PRO 24 6.556 14.325 3.834 170 HD2 PRO 24 HD2 PRO 24 8.738 14.864 2.496 171 HD3 PRO 24 HD3 PRO 24 8.833 14.955 4.273 172 H ALA 25 H ALA 25 9.511 9.803 5.239 173 HA ALA 25 HA ALA 25 11.055 8.758 3.370 174 HB1 ALA 25 HB1 ALA 25 9.081 6.942 4.670 175 HB2 ALA 25 HB2 ALA 25 10.409 7.699 5.553 176 HB3 ALA 25 HB3 ALA 25 10.750 6.619 4.199 177 H GLU 26 H GLU 26 11.056 7.628 1.564 178 HA GLU 26 HA GLU 26 8.546 7.664 0.120 179 HB2 GLU 26 HB2 GLU 26 11.152 8.888 -0.690 180 HB3 GLU 26 HB3 GLU 26 10.131 8.180 -1.937 181 HG2 GLU 26 HG3 GLU 26 8.297 9.632 -1.274 182 HG3 GLU 26 HG2 GLU 26 9.297 10.320 0.005 183 H LEU 27 H LEU 27 8.059 5.976 -1.026 184 HA LEU 27 HA LEU 27 10.024 3.814 -1.424 185 HB2 LEU 27 HB2 LEU 27 7.976 3.024 -0.473 186 HB3 LEU 27 HB3 LEU 27 7.009 4.005 -1.544 187 HG LEU 27 HG LEU 27 8.651 1.673 -2.546 188 HD11 LEU 27 HD11 LEU 27 6.624 0.362 -2.421 189 HD12 LEU 27 HD12 LEU 27 5.772 1.725 -1.696 190 HD13 LEU 27 HD13 LEU 27 7.088 0.937 -0.819 191 HD21 LEU 27 HD21 LEU 27 7.845 3.302 -4.244 192 HD22 LEU 27 HD22 LEU 27 6.192 3.015 -3.700 193 HD23 LEU 27 HD23 LEU 27 7.121 1.707 -4.431 194 H THR 28 H THR 28 10.509 3.217 -3.544 195 HA THR 28 HA THR 28 9.279 4.871 -5.612 196 HB THR 28 HB THR 28 12.248 4.356 -5.477 197 HG1 THR 28 HG1 THR 28 12.107 5.972 -4.087 198 HG21 THR 28 HG21 THR 28 12.278 6.056 -7.292 199 HG22 THR 28 HG22 THR 28 10.509 5.996 -7.315 200 HG23 THR 28 HG23 THR 28 11.452 4.561 -7.738 201 H TRP 29 H TRP 29 8.239 3.527 -6.829 202 HA TRP 29 HA TRP 29 9.250 0.833 -7.253 203 HB2 TRP 29 HB3 TRP 29 6.828 1.146 -6.902 204 HB3 TRP 29 HB2 TRP 29 6.759 2.176 -8.329 205 HD1 TRP 29 HD1 TRP 29 7.204 -1.515 -7.338 206 HE1 TRP 29 HE1 TRP 29 6.722 -2.981 -9.400 207 HE3 TRP 29 HE3 TRP 29 6.704 2.175 -10.827 208 HZ2 TRP 29 HZ2 TRP 29 6.207 -2.601 -12.151 209 HZ3 TRP 29 HZ3 TRP 29 6.215 1.544 -13.144 210 HH2 TRP 29 HH2 TRP 29 5.973 -0.796 -13.797 211 H ARG 30 H ARG 30 10.799 0.662 -8.584 212 HA ARG 30 HA ARG 30 10.806 2.205 -11.088 213 HB2 ARG 30 HB2 ARG 30 12.643 2.842 -9.640 214 HB3 ARG 30 HB3 ARG 30 13.067 1.153 -9.377 215 HG2 ARG 30 HG2 ARG 30 13.075 2.013 -12.172 216 HG3 ARG 30 HG3 ARG 30 14.285 2.786 -11.146 217 HD2 ARG 30 HD2 ARG 30 15.074 0.617 -10.423 218 HD3 ARG 30 HD3 ARG 30 13.848 -0.195 -11.389 219 HE ARG 30 HE ARG 30 15.547 1.553 -12.917 220 HH11 ARG 30 HH11 ARG 30 15.225 -1.671 -11.595 221 HH12 ARG 30 HH12 ARG 30 16.381 -2.375 -12.677 222 HH21 ARG 30 HH21 ARG 30 17.075 0.633 -14.344 223 HH22 ARG 30 HH22 ARG 30 17.441 -1.059 -14.238 224 H SER 31 H SER 31 10.347 0.946 -12.799 225 HA SER 31 HA SER 31 9.785 -1.749 -12.511 226 HB2 SER 31 HB3 SER 31 9.446 -1.800 -14.919 227 HB3 SER 31 HB2 SER 31 8.779 -0.318 -14.242 228 HG SER 31 HG SER 31 10.231 -0.321 -16.246 229 H THR 32 H THR 32 10.668 -3.574 -13.471 230 HA THR 32 HA THR 32 13.343 -4.032 -12.824 231 HB THR 32 HB THR 32 11.682 -5.685 -14.737 232 HG1 THR 32 HG1 THR 32 11.752 -5.794 -11.887 233 HG21 THR 32 HG21 THR 32 14.027 -6.368 -14.542 234 HG22 THR 32 HG22 THR 32 12.961 -7.555 -13.792 235 HG23 THR 32 HG23 THR 32 13.869 -6.427 -12.786 236 H ASP 33 H ASP 33 11.821 -3.047 -15.820 237 HA ASP 33 HA ASP 33 14.221 -3.386 -17.392 238 HB2 ASP 33 HB2 ASP 33 11.991 -3.624 -18.417 239 HB3 ASP 33 HB3 ASP 33 11.646 -1.940 -18.046 240 H GLY 34 H GLY 34 12.666 -0.871 -15.556 241 HA2 GLY 34 HA3 GLY 34 13.860 0.942 -14.631 242 HA3 GLY 34 HA2 GLY 34 15.042 0.793 -15.921 243 H ASP 35 H ASP 35 11.725 0.738 -16.828 244 HA ASP 35 HA ASP 35 12.118 3.347 -18.100 245 HB2 ASP 35 HB2 ASP 35 11.723 1.461 -19.608 246 HB3 ASP 35 HB3 ASP 35 10.204 1.142 -18.793 247 H LYS 36 H LYS 36 10.159 1.671 -15.814 248 HA LYS 36 HA LYS 36 8.252 3.924 -15.766 249 HB2 LYS 36 HB2 LYS 36 7.621 1.358 -16.330 250 HB3 LYS 36 HB3 LYS 36 7.503 1.309 -14.580 251 HG2 LYS 36 HG2 LYS 36 5.888 3.159 -14.665 252 HG3 LYS 36 HG3 LYS 36 5.994 3.135 -16.427 253 HD2 LYS 36 HD2 LYS 36 5.349 0.709 -16.312 254 HD3 LYS 36 HD3 LYS 36 4.981 0.965 -14.606 255 HE2 LYS 36 HE2 LYS 36 3.693 2.316 -16.960 256 HE3 LYS 36 HE3 LYS 36 2.952 1.143 -15.884 257 HZ1 LYS 36 HZ1 LYS 36 3.140 2.721 -14.076 258 HZ2 LYS 36 HZ2 LYS 36 2.271 3.399 -15.358 259 HZ3 LYS 36 HZ3 LYS 36 3.879 3.851 -15.095 260 H VAL 37 H VAL 37 8.350 5.120 -13.946 261 HA VAL 37 HA VAL 37 9.298 3.841 -11.464 262 HB VAL 37 HB VAL 37 10.192 6.557 -12.479 263 HG11 VAL 37 HG21 VAL 37 9.905 6.548 -10.061 264 HG12 VAL 37 HG22 VAL 37 11.615 6.618 -10.488 265 HG13 VAL 37 HG23 VAL 37 10.905 5.100 -9.937 266 HG21 VAL 37 HG13 VAL 37 11.772 4.018 -12.070 267 HG22 VAL 37 HG11 VAL 37 12.427 5.577 -12.569 268 HG23 VAL 37 HG12 VAL 37 11.313 4.710 -13.627 269 H HIS 38 H HIS 38 7.898 4.105 -9.878 270 HA HIS 38 HA HIS 38 6.229 6.528 -9.810 271 HB2 HIS 38 HB3 HIS 38 5.149 4.277 -10.588 272 HB3 HIS 38 HB2 HIS 38 5.220 3.893 -8.870 273 HD1 HIS 38 HD1 HIS 38 3.047 5.331 -11.304 274 HD2 HIS 38 HD2 HIS 38 3.854 6.098 -7.298 275 HE1 HIS 38 HE1 HIS 38 1.092 6.664 -10.466 276 HE2 HIS 38 HE2 HIS 38 1.736 7.336 -8.127 277 H THR 39 H THR 39 6.502 7.595 -7.926 278 HA THR 39 HA THR 39 7.784 6.126 -5.735 279 HB THR 39 HB THR 39 7.562 9.116 -6.153 280 HG1 THR 39 HG1 THR 39 9.854 7.467 -6.508 281 HG21 THR 39 HG21 THR 39 9.258 9.283 -4.430 282 HG22 THR 39 HG22 THR 39 9.318 7.526 -4.284 283 HG23 THR 39 HG23 THR 39 7.863 8.402 -3.802 284 H VAL 40 H VAL 40 6.928 6.100 -3.652 285 HA VAL 40 HA VAL 40 4.255 7.304 -3.257 286 HB VAL 40 HB VAL 40 5.478 4.773 -2.172 287 HG11 VAL 40 HG21 VAL 40 3.044 6.232 -1.203 288 HG12 VAL 40 HG22 VAL 40 4.470 5.771 -0.275 289 HG13 VAL 40 HG23 VAL 40 3.361 4.532 -0.862 290 HG21 VAL 40 HG13 VAL 40 3.713 3.645 -3.210 291 HG22 VAL 40 HG11 VAL 40 4.262 4.831 -4.396 292 HG23 VAL 40 HG12 VAL 40 2.795 5.135 -3.452 293 H VAL 41 H VAL 41 4.098 8.834 -1.664 294 HA VAL 41 HA VAL 41 6.290 9.149 0.233 295 HB VAL 41 HB VAL 41 3.827 10.877 -0.100 296 HG11 VAL 41 HG21 VAL 41 4.742 11.057 2.136 297 HG12 VAL 41 HG22 VAL 41 5.135 12.522 1.236 298 HG13 VAL 41 HG23 VAL 41 6.366 11.288 1.490 299 HG21 VAL 41 HG13 VAL 41 5.187 10.985 -2.095 300 HG22 VAL 41 HG11 VAL 41 6.638 11.253 -1.128 301 HG23 VAL 41 HG12 VAL 41 5.373 12.480 -1.176 302 H LEU 42 H LEU 42 6.201 7.858 1.830 303 HA LEU 42 HA LEU 42 4.137 6.362 2.823 304 HB2 LEU 42 HB2 LEU 42 6.705 7.309 4.022 305 HB3 LEU 42 HB3 LEU 42 5.570 6.366 4.974 306 HG LEU 42 HG LEU 42 7.478 5.103 3.862 307 HD11 LEU 42 HD11 LEU 42 5.435 4.111 4.833 308 HD12 LEU 42 HD12 LEU 42 6.080 3.196 3.480 309 HD13 LEU 42 HD13 LEU 42 4.665 4.219 3.249 310 HD21 LEU 42 HD21 LEU 42 7.092 4.381 1.552 311 HD22 LEU 42 HD22 LEU 42 7.416 6.113 1.658 312 HD23 LEU 42 HD23 LEU 42 5.766 5.535 1.419 313 H SER 43 H SER 43 5.000 9.654 3.688 314 HA SER 43 HA SER 43 3.372 9.688 6.041 315 HB2 SER 43 HB3 SER 43 4.568 11.955 4.470 316 HB3 SER 43 HB2 SER 43 3.821 12.104 6.060 317 HG SER 43 HG SER 43 5.891 11.813 6.554 318 H THR 44 H THR 44 2.877 10.474 2.669 319 HA THR 44 HA THR 44 0.268 11.601 3.150 320 HB THR 44 HB THR 44 -0.022 11.582 0.719 321 HG1 THR 44 HG1 THR 44 2.033 9.744 0.867 322 HG21 THR 44 HG21 THR 44 1.216 13.434 1.697 323 HG22 THR 44 HG22 THR 44 1.875 13.028 0.113 324 HG23 THR 44 HG23 THR 44 2.717 12.517 1.573 325 H ILE 45 H ILE 45 1.586 8.528 3.049 326 HA ILE 45 HA ILE 45 -0.786 7.095 2.315 327 HB ILE 45 HB ILE 45 1.744 6.152 3.666 328 HG12 ILE 45 HG13 ILE 45 2.106 7.086 1.384 329 HG13 ILE 45 HG12 ILE 45 2.459 5.372 1.489 330 HG21 ILE 45 HG21 ILE 45 -0.152 4.675 4.067 331 HG22 ILE 45 HG22 ILE 45 1.051 3.923 3.026 332 HG23 ILE 45 HG23 ILE 45 -0.433 4.565 2.330 333 HD11 ILE 45 HD11 ILE 45 0.193 4.924 0.518 334 HD12 ILE 45 HD12 ILE 45 1.315 5.748 -0.564 335 HD13 ILE 45 HD13 ILE 45 0.039 6.660 0.249 336 H ASP 46 H ASP 46 -2.397 6.543 3.606 337 HA ASP 46 HA ASP 46 -2.356 7.154 6.439 338 HB2 ASP 46 HB2 ASP 46 -4.386 7.729 5.433 339 HB3 ASP 46 HB3 ASP 46 -4.446 6.264 4.481 340 H LYS 47 H LYS 47 -2.518 4.324 4.364 341 HA LYS 47 HA LYS 47 -2.035 2.588 6.681 342 HB2 LYS 47 HB2 LYS 47 -4.538 2.843 5.482 343 HB3 LYS 47 HB3 LYS 47 -3.855 1.410 4.726 344 HG2 LYS 47 HG2 LYS 47 -5.082 0.635 6.559 345 HG3 LYS 47 HG3 LYS 47 -3.396 0.566 7.070 346 HD2 LYS 47 HD2 LYS 47 -3.625 2.405 8.475 347 HD3 LYS 47 HD3 LYS 47 -5.084 2.967 7.661 348 HE2 LYS 47 HE2 LYS 47 -6.267 0.952 8.518 349 HE3 LYS 47 HE3 LYS 47 -4.812 0.527 9.415 350 HZ1 LYS 47 HZ1 LYS 47 -6.414 2.999 9.783 351 HZ2 LYS 47 HZ2 LYS 47 -5.013 2.605 10.639 352 HZ3 LYS 47 HZ3 LYS 47 -6.402 1.663 10.819 353 H LEU 48 H LEU 48 -0.507 1.018 6.167 354 HA LEU 48 HA LEU 48 -0.268 0.357 3.314 355 HB2 LEU 48 HB2 LEU 48 1.903 0.871 4.013 356 HB3 LEU 48 HB3 LEU 48 1.667 0.088 5.569 357 HG LEU 48 HG LEU 48 1.551 -2.103 4.351 358 HD11 LEU 48 HD11 LEU 48 2.917 -0.731 2.098 359 HD12 LEU 48 HD12 LEU 48 1.156 -0.820 2.121 360 HD13 LEU 48 HD13 LEU 48 2.116 -2.300 2.132 361 HD21 LEU 48 HD21 LEU 48 4.177 -1.229 3.614 362 HD22 LEU 48 HD22 LEU 48 3.674 -2.334 4.889 363 HD23 LEU 48 HD23 LEU 48 3.711 -0.594 5.190 364 H GLN 49 H GLN 49 -0.514 -1.662 2.669 365 HA GLN 49 HA GLN 49 -1.646 -3.576 4.603 366 HB2 GLN 49 HB2 GLN 49 -2.327 -3.455 1.684 367 HB3 GLN 49 HB3 GLN 49 -3.153 -4.354 2.946 368 HG2 GLN 49 HG2 GLN 49 -3.679 -2.038 3.948 369 HG3 GLN 49 HG3 GLN 49 -3.241 -1.427 2.357 370 HE21 GLN 49 HE21 GLN 49 -4.822 -4.498 2.970 371 HE22 GLN 49 HE22 GLN 49 -6.321 -4.086 2.219 372 H ALA 50 H ALA 50 -1.243 -5.783 4.187 373 HA ALA 50 HA ALA 50 0.417 -6.628 2.011 374 HB1 ALA 50 HB1 ALA 50 2.079 -5.580 3.577 375 HB2 ALA 50 HB2 ALA 50 2.360 -7.292 3.253 376 HB3 ALA 50 HB3 ALA 50 1.621 -6.796 4.775 377 H THR 51 H THR 51 0.267 -8.830 1.714 378 HA THR 51 HA THR 51 -1.847 -10.307 2.761 379 HB THR 51 HB THR 51 -0.613 -12.316 1.937 380 HG1 THR 51 HG1 THR 51 1.505 -11.055 2.395 381 HG21 THR 51 HG21 THR 51 -0.447 -11.556 -0.452 382 HG22 THR 51 HG22 THR 51 -0.767 -9.919 0.127 383 HG23 THR 51 HG23 THR 51 -1.977 -11.183 0.347 384 HA PRO 52 HA PRO 52 -0.523 -11.374 6.884 385 HB2 PRO 52 HB3 PRO 52 -2.562 -13.135 7.294 386 HB3 PRO 52 HB2 PRO 52 -2.771 -11.386 7.386 387 HG2 PRO 52 HG3 PRO 52 -3.341 -13.244 5.115 388 HG3 PRO 52 HG2 PRO 52 -4.342 -11.956 5.770 389 HD2 PRO 52 HD2 PRO 52 -2.906 -11.604 3.561 390 HD3 PRO 52 HD3 PRO 52 -3.099 -10.302 4.740 391 H ALA 53 H ALA 53 0.035 -13.369 8.042 392 HA ALA 53 HA ALA 53 1.477 -15.220 6.435 393 HB1 ALA 53 HB1 ALA 53 1.938 -16.386 8.534 394 HB2 ALA 53 HB2 ALA 53 0.731 -15.396 9.355 395 HB3 ALA 53 HB3 ALA 53 2.188 -14.648 8.701 396 H SER 54 H SER 54 -1.782 -14.997 7.305 397 HA SER 54 HA SER 54 -2.390 -17.800 6.965 398 HB2 SER 54 HB3 SER 54 -3.735 -16.246 8.417 399 HB3 SER 54 HB2 SER 54 -4.280 -15.436 6.956 400 HG SER 54 HG SER 54 -5.235 -17.383 6.287 401 H SER 55 H SER 55 -2.099 -14.953 5.049 402 HA SER 55 HA SER 55 -3.516 -15.865 2.746 403 HB2 SER 55 HB3 SER 55 -2.932 -13.431 3.216 404 HB3 SER 55 HB2 SER 55 -1.260 -13.841 2.865 405 HG SER 55 HG SER 55 -3.428 -13.556 1.162 406 H GLU 56 H GLU 56 -2.654 -16.832 0.863 407 HA GLU 56 HA GLU 56 -0.129 -18.246 1.284 408 HB2 GLU 56 HB2 GLU 56 -2.044 -18.596 -0.989 409 HB3 GLU 56 HB3 GLU 56 -0.778 -19.696 -0.482 410 HG2 GLU 56 HG3 GLU 56 -2.620 -20.738 0.361 411 HG3 GLU 56 HG2 GLU 56 -2.132 -19.758 1.737 412 H LYS 57 H LYS 57 -1.467 -15.592 -0.146 413 HA LYS 57 HA LYS 57 0.274 -15.432 -2.417 414 HB2 LYS 57 HB2 LYS 57 -1.851 -13.626 -1.347 415 HB3 LYS 57 HB3 LYS 57 -0.927 -13.264 -2.783 416 HG2 LYS 57 HG2 LYS 57 -3.017 -14.165 -3.445 417 HG3 LYS 57 HG3 LYS 57 -1.782 -15.365 -3.745 418 HD2 LYS 57 HD2 LYS 57 -3.765 -16.405 -2.845 419 HD3 LYS 57 HD3 LYS 57 -2.384 -16.540 -1.755 420 HE2 LYS 57 HE2 LYS 57 -4.424 -16.007 -0.533 421 HE3 LYS 57 HE3 LYS 57 -3.223 -14.726 -0.413 422 HZ1 LYS 57 HZ1 LYS 57 -4.440 -13.480 -2.096 423 HZ2 LYS 57 HZ2 LYS 57 -5.435 -13.831 -0.776 424 HZ3 LYS 57 HZ3 LYS 57 -5.590 -14.716 -2.208 425 H MET 58 H MET 58 1.295 -13.138 -2.738 426 HA MET 58 HA MET 58 2.186 -11.973 -0.200 427 HB2 MET 58 HB3 MET 58 4.284 -11.759 -2.152 428 HB3 MET 58 HB2 MET 58 4.363 -12.401 -0.534 429 HG2 MET 58 HG3 MET 58 5.179 -14.010 -2.126 430 HG3 MET 58 HG2 MET 58 3.724 -14.607 -1.352 431 HE1 MET 58 HE1 MET 58 3.455 -16.198 -4.897 432 HE2 MET 58 HE2 MET 58 3.467 -16.482 -3.157 433 HE3 MET 58 HE3 MET 58 4.934 -15.939 -3.972 434 H MET 59 H MET 59 1.382 -9.956 -0.304 435 HA MET 59 HA MET 59 1.971 -8.298 -2.591 436 HB2 MET 59 HB3 MET 59 -0.843 -9.110 -1.941 437 HB3 MET 59 HB2 MET 59 -0.504 -7.582 -2.732 438 HG2 MET 59 HG3 MET 59 -0.826 -8.791 -4.591 439 HG3 MET 59 HG2 MET 59 0.853 -9.249 -4.339 440 HE1 MET 59 HE1 MET 59 -2.827 -10.125 -3.922 441 HE2 MET 59 HE2 MET 59 -2.377 -10.610 -2.286 442 HE3 MET 59 HE3 MET 59 -2.841 -11.829 -3.469 443 H LEU 60 H LEU 60 2.144 -6.204 -2.083 444 HA LEU 60 HA LEU 60 1.188 -5.298 0.576 445 HB2 LEU 60 HB2 LEU 60 3.488 -4.590 -1.108 446 HB3 LEU 60 HB3 LEU 60 2.657 -3.224 -0.403 447 HG LEU 60 HG LEU 60 2.936 -4.525 1.825 448 HD11 LEU 60 HD11 LEU 60 3.748 -6.606 0.900 449 HD12 LEU 60 HD12 LEU 60 4.997 -5.834 1.888 450 HD13 LEU 60 HD13 LEU 60 5.092 -5.756 0.126 451 HD21 LEU 60 HD21 LEU 60 3.979 -2.433 1.428 452 HD22 LEU 60 HD22 LEU 60 5.151 -3.165 0.336 453 HD23 LEU 60 HD23 LEU 60 5.200 -3.538 2.056 454 H ARG 61 H ARG 61 0.249 -3.132 0.672 455 HA ARG 61 HA ARG 61 -0.407 -1.763 -1.767 456 HB2 ARG 61 HB2 ARG 61 -2.297 -3.323 -1.550 457 HB3 ARG 61 HB3 ARG 61 -2.661 -2.655 0.029 458 HG2 ARG 61 HG2 ARG 61 -2.919 -0.419 -1.122 459 HG3 ARG 61 HG3 ARG 61 -2.880 -1.313 -2.642 460 HD2 ARG 61 HD2 ARG 61 -4.682 -2.682 -1.013 461 HD3 ARG 61 HD3 ARG 61 -5.034 -0.981 -0.762 462 HE ARG 61 HE ARG 61 -4.857 -1.258 -3.479 463 HH11 ARG 61 HH11 ARG 61 -6.755 -2.677 -0.918 464 HH12 ARG 61 HH12 ARG 61 -8.100 -3.069 -1.938 465 HH21 ARG 61 HH21 ARG 61 -6.641 -1.752 -4.845 466 HH22 ARG 61 HH22 ARG 61 -8.030 -2.554 -4.176 467 H LEU 62 H LEU 62 0.188 0.256 -1.357 468 HA LEU 62 HA LEU 62 0.041 1.306 1.377 469 HB2 LEU 62 HB2 LEU 62 1.617 1.964 -1.071 470 HB3 LEU 62 HB3 LEU 62 1.343 3.235 0.092 471 HG LEU 62 HG LEU 62 2.447 0.582 0.949 472 HD11 LEU 62 HD11 LEU 62 3.909 1.440 -0.838 473 HD12 LEU 62 HD12 LEU 62 4.700 1.443 0.745 474 HD13 LEU 62 HD13 LEU 62 4.081 2.950 0.057 475 HD21 LEU 62 HD21 LEU 62 1.603 2.134 2.638 476 HD22 LEU 62 HD22 LEU 62 2.741 3.354 2.066 477 HD23 LEU 62 HD23 LEU 62 3.338 1.857 2.782 478 H ILE 63 H ILE 63 -1.782 2.315 1.888 479 HA ILE 63 HA ILE 63 -3.532 3.415 -0.145 480 HB ILE 63 HB ILE 63 -4.047 3.667 2.791 481 HG12 ILE 63 HG13 ILE 63 -3.237 1.372 2.525 482 HG13 ILE 63 HG12 ILE 63 -4.961 1.402 2.889 483 HG21 ILE 63 HG21 ILE 63 -5.901 2.988 0.519 484 HG22 ILE 63 HG22 ILE 63 -5.601 4.618 1.117 485 HG23 ILE 63 HG23 ILE 63 -6.346 3.417 2.169 486 HD11 ILE 63 HD11 ILE 63 -4.444 -0.250 1.218 487 HD12 ILE 63 HD12 ILE 63 -3.723 0.989 0.193 488 HD13 ILE 63 HD13 ILE 63 -5.451 1.027 0.537 489 H GLY 64 H GLY 64 -3.074 5.451 -0.851 490 HA2 GLY 64 HA3 GLY 64 -1.832 7.402 0.858 491 HA3 GLY 64 HA2 GLY 64 -2.449 7.689 -0.753 492 H LYS 65 H LYS 65 -2.741 9.192 1.792 493 HA LYS 65 HA LYS 65 -5.295 8.785 2.896 494 HB2 LYS 65 HB2 LYS 65 -3.369 11.081 2.930 495 HB3 LYS 65 HB3 LYS 65 -4.958 11.214 3.674 496 HG2 LYS 65 HG2 LYS 65 -4.375 9.962 5.429 497 HG3 LYS 65 HG3 LYS 65 -3.509 8.811 4.411 498 HD2 LYS 65 HD2 LYS 65 -1.546 9.980 4.502 499 HD3 LYS 65 HD3 LYS 65 -2.339 11.501 4.895 500 HE2 LYS 65 HE2 LYS 65 -2.004 9.133 6.716 501 HE3 LYS 65 HE3 LYS 65 -1.102 10.639 6.806 502 HZ1 LYS 65 HZ1 LYS 65 -3.982 10.219 7.355 503 HZ2 LYS 65 HZ2 LYS 65 -3.310 11.755 7.153 504 HZ3 LYS 65 HZ3 LYS 65 -2.792 10.768 8.427 505 H VAL 66 H VAL 66 -7.215 9.447 2.401 506 HA VAL 66 HA VAL 66 -7.689 10.958 -0.023 507 HB VAL 66 HB VAL 66 -9.095 9.007 0.641 508 HG11 VAL 66 HG21 VAL 66 -10.087 10.854 2.795 509 HG12 VAL 66 HG22 VAL 66 -9.188 9.355 3.023 510 HG13 VAL 66 HG23 VAL 66 -10.821 9.311 2.357 511 HG21 VAL 66 HG13 VAL 66 -9.944 10.642 -0.956 512 HG22 VAL 66 HG11 VAL 66 -10.621 11.589 0.368 513 HG23 VAL 66 HG12 VAL 66 -11.242 9.974 0.031 514 H ASP 67 H ASP 67 -9.391 12.792 0.208 515 HA ASP 67 HA ASP 67 -8.154 14.842 1.649 516 HB2 ASP 67 HB2 ASP 67 -9.562 15.204 -0.381 517 HB3 ASP 67 HB3 ASP 67 -10.989 14.874 0.603 518 H GLU 68 H GLU 68 -8.585 15.840 3.475 519 HA GLU 68 HA GLU 68 -9.285 14.326 5.661 520 HB2 GLU 68 HB2 GLU 68 -9.281 17.324 5.535 521 HB3 GLU 68 HB3 GLU 68 -9.160 16.359 6.984 522 HG2 GLU 68 HG3 GLU 68 -7.016 17.081 6.557 523 HG3 GLU 68 HG2 GLU 68 -7.027 15.421 5.972 524 H SER 69 H SER 69 -11.424 16.146 3.629 525 HA SER 69 HA SER 69 -13.482 16.472 5.589 526 HB2 SER 69 HB3 SER 69 -14.891 17.118 3.638 527 HB3 SER 69 HB2 SER 69 -13.386 18.022 3.761 528 HG SER 69 HG SER 69 -12.533 16.844 2.090 529 H LYS 70 H LYS 70 -12.358 13.834 3.918 530 HA LYS 70 HA LYS 70 -13.090 11.836 3.253 531 HB2 LYS 70 HB2 LYS 70 -14.853 12.111 5.677 532 HB3 LYS 70 HB3 LYS 70 -14.271 10.632 4.938 533 HG2 LYS 70 HG2 LYS 70 -12.496 12.712 6.157 534 HG3 LYS 70 HG3 LYS 70 -13.036 11.259 6.977 535 HD2 LYS 70 HD2 LYS 70 -11.495 11.263 4.396 536 HD3 LYS 70 HD3 LYS 70 -10.747 11.111 5.985 537 HE2 LYS 70 HE2 LYS 70 -12.848 9.258 4.899 538 HE3 LYS 70 HE3 LYS 70 -11.118 8.945 4.809 539 HZ1 LYS 70 HZ1 LYS 70 -11.079 9.096 7.267 540 HZ2 LYS 70 HZ2 LYS 70 -11.989 7.800 6.682 541 HZ3 LYS 70 HZ3 LYS 70 -12.769 9.183 7.263 542 H LYS 71 H LYS 71 -16.266 12.366 4.616 543 HA LYS 71 HA LYS 71 -17.452 11.482 2.237 544 HB2 LYS 71 HB2 LYS 71 -19.595 11.880 3.397 545 HB3 LYS 71 HB3 LYS 71 -18.472 10.856 4.268 546 HG2 LYS 71 HG2 LYS 71 -17.786 12.885 5.560 547 HG3 LYS 71 HG3 LYS 71 -19.147 13.694 4.795 548 HD2 LYS 71 HD2 LYS 71 -19.428 11.126 6.302 549 HD3 LYS 71 HD3 LYS 71 -19.591 12.695 7.089 550 HE2 LYS 71 HE2 LYS 71 -21.217 11.783 4.737 551 HE3 LYS 71 HE3 LYS 71 -21.729 11.591 6.406 552 HZ1 LYS 71 HZ1 LYS 71 -21.742 13.945 6.694 553 HZ2 LYS 71 HZ2 LYS 71 -22.662 13.572 5.320 554 HZ3 LYS 71 HZ3 LYS 71 -21.100 14.202 5.150 555 H ARG 72 H ARG 72 -18.210 12.498 0.574 556 HA ARG 72 HA ARG 72 -18.115 15.442 0.605 557 HB2 ARG 72 HB2 ARG 72 -17.257 15.441 -1.567 558 HB3 ARG 72 HB3 ARG 72 -16.431 14.078 -0.832 559 HG2 ARG 72 HG2 ARG 72 -17.892 12.544 -1.925 560 HG3 ARG 72 HG3 ARG 72 -18.881 13.858 -2.557 561 HD2 ARG 72 HD2 ARG 72 -15.960 13.482 -3.192 562 HD3 ARG 72 HD3 ARG 72 -17.272 12.896 -4.206 563 HE ARG 72 HE ARG 72 -17.868 15.150 -4.679 564 HH11 ARG 72 HH11 ARG 72 -14.889 14.833 -2.845 565 HH12 ARG 72 HH12 ARG 72 -14.295 16.395 -3.297 566 HH21 ARG 72 HH21 ARG 72 -17.077 17.208 -5.274 567 HH22 ARG 72 HH22 ARG 72 -15.535 17.744 -4.683 568 H LYS 73 H LYS 73 -19.384 16.272 -1.360 569 HA LYS 73 HA LYS 73 -22.090 15.130 -1.306 570 HB2 LYS 73 HB2 LYS 73 -21.146 17.960 -0.979 571 HB3 LYS 73 HB3 LYS 73 -22.640 17.664 -1.818 572 HG2 LYS 73 HG2 LYS 73 -22.932 18.214 0.560 573 HG3 LYS 73 HG3 LYS 73 -23.629 16.670 0.085 574 HD2 LYS 73 HD2 LYS 73 -22.505 16.312 2.126 575 HD3 LYS 73 HD3 LYS 73 -21.563 15.609 0.807 576 HE2 LYS 73 HE2 LYS 73 -20.052 17.427 0.796 577 HE3 LYS 73 HE3 LYS 73 -21.036 18.339 1.936 578 HZ1 LYS 73 HZ1 LYS 73 -19.160 17.403 3.065 579 HZ2 LYS 73 HZ2 LYS 73 -19.516 15.852 2.502 580 HZ3 LYS 73 HZ3 LYS 73 -20.555 16.609 3.600 581 H ASP 74 H ASP 74 -23.059 14.905 -3.305 582 HA ASP 74 HA ASP 74 -21.439 15.682 -5.609 583 HB2 ASP 74 HB2 ASP 74 -22.605 13.331 -5.129 584 HB3 ASP 74 HB3 ASP 74 -23.954 14.147 -5.896 585 H ASN 75 H ASN 75 -23.653 15.698 -7.432 586 HA ASN 75 HA ASN 75 -24.213 18.398 -7.535 587 HB2 ASN 75 HB2 ASN 75 -25.849 17.853 -9.256 588 HB3 ASN 75 HB3 ASN 75 -24.393 16.888 -9.448 589 HD21 ASN 75 HD21 ASN 75 -27.012 16.363 -10.485 590 HD22 ASN 75 HD22 ASN 75 -27.526 14.851 -9.828 591 H GLU 76 H GLU 76 -25.998 15.906 -5.818 592 HA GLU 76 HA GLU 76 -28.103 17.875 -5.215 593 HB2 GLU 76 HB2 GLU 76 -28.804 15.823 -6.409 594 HB3 GLU 76 HB3 GLU 76 -28.214 14.868 -5.059 595 HG2 GLU 76 HG3 GLU 76 -29.808 16.041 -3.598 596 HG3 GLU 76 HG2 GLU 76 -30.462 16.850 -5.019 597 H GLY 77 H GLY 77 -25.374 16.652 -3.916 598 HA2 GLY 77 HA3 GLY 77 -24.545 16.652 -1.730 599 HA3 GLY 77 HA2 GLY 77 -26.098 17.319 -1.213 600 H ASN 78 H ASN 78 -26.019 14.520 -3.133 601 HA ASN 78 HA ASN 78 -27.500 12.890 -1.413 602 HB2 ASN 78 HB2 ASN 78 -26.555 11.075 -3.026 603 HB3 ASN 78 HB3 ASN 78 -27.599 12.332 -3.682 604 HD21 ASN 78 HD21 ASN 78 -26.939 13.453 -5.267 605 HD22 ASN 78 HD22 ASN 78 -25.330 13.496 -5.849 606 H GLU 79 H GLU 79 -24.138 13.389 -1.810 607 HA GLU 79 HA GLU 79 -22.481 13.192 -0.245 608 HB2 GLU 79 HB2 GLU 79 -24.296 11.233 1.161 609 HB3 GLU 79 HB3 GLU 79 -22.681 11.663 1.702 610 HG2 GLU 79 HG3 GLU 79 -23.346 13.944 2.014 611 HG3 GLU 79 HG2 GLU 79 -24.962 13.590 1.401 612 H VAL 80 H VAL 80 -20.858 12.413 -1.304 613 HA VAL 80 HA VAL 80 -20.891 9.532 -2.015 614 HB VAL 80 HB VAL 80 -18.852 11.424 -3.094 615 HG11 VAL 80 HG21 VAL 80 -18.903 9.906 -5.010 616 HG12 VAL 80 HG22 VAL 80 -20.188 8.980 -4.237 617 HG13 VAL 80 HG23 VAL 80 -18.587 9.051 -3.501 618 HG21 VAL 80 HG13 VAL 80 -20.292 11.927 -5.036 619 HG22 VAL 80 HG11 VAL 80 -20.932 12.597 -3.535 620 HG23 VAL 80 HG12 VAL 80 -21.640 11.134 -4.219 621 H VAL 81 H VAL 81 -19.071 8.287 -1.430 622 HA VAL 81 HA VAL 81 -17.286 9.646 0.449 623 HB VAL 81 HB VAL 81 -18.496 7.943 1.630 624 HG11 VAL 81 HG21 VAL 81 -17.540 5.995 -0.460 625 HG12 VAL 81 HG22 VAL 81 -19.200 6.535 -0.205 626 HG13 VAL 81 HG23 VAL 81 -18.390 5.566 1.025 627 HG21 VAL 81 HG13 VAL 81 -16.654 6.520 2.433 628 HG22 VAL 81 HG11 VAL 81 -16.185 8.211 2.279 629 HG23 VAL 81 HG12 VAL 81 -15.676 7.041 1.063 630 HA PRO 82 HA PRO 82 -14.468 9.129 -3.032 631 HB2 PRO 82 HB3 PRO 82 -12.789 10.686 -1.192 632 HB3 PRO 82 HB2 PRO 82 -13.214 11.002 -2.865 633 HG2 PRO 82 HG3 PRO 82 -14.238 12.378 -0.848 634 HG3 PRO 82 HG2 PRO 82 -15.132 12.089 -2.320 635 HD2 PRO 82 HD2 PRO 82 -15.466 10.894 0.335 636 HD3 PRO 82 HD3 PRO 82 -16.660 11.169 -0.944 637 H LYS 83 H LYS 83 -13.221 7.373 -3.222 638 HA LYS 83 HA LYS 83 -12.160 6.127 -0.843 639 HB2 LYS 83 HB2 LYS 83 -12.887 4.435 -2.130 640 HB3 LYS 83 HB3 LYS 83 -12.571 5.269 -3.646 641 HG2 LYS 83 HG2 LYS 83 -10.155 4.796 -3.313 642 HG3 LYS 83 HG3 LYS 83 -10.576 3.871 -1.872 643 HD2 LYS 83 HD2 LYS 83 -10.380 2.233 -3.508 644 HD3 LYS 83 HD3 LYS 83 -12.116 2.532 -3.454 645 HE2 LYS 83 HE2 LYS 83 -10.291 3.898 -5.419 646 HE3 LYS 83 HE3 LYS 83 -11.048 2.345 -5.753 647 HZ1 LYS 83 HZ1 LYS 83 -13.219 3.435 -5.385 648 HZ2 LYS 83 HZ2 LYS 83 -12.369 4.068 -6.699 649 HZ3 LYS 83 HZ3 LYS 83 -12.430 4.925 -5.246 650 HA PRO 84 HA PRO 84 -8.230 8.086 -0.998 651 HB2 PRO 84 HB3 PRO 84 -7.296 5.671 0.392 652 HB3 PRO 84 HB2 PRO 84 -7.280 7.357 0.917 653 HG2 PRO 84 HG3 PRO 84 -8.965 5.490 1.946 654 HG3 PRO 84 HG2 PRO 84 -9.341 7.220 1.868 655 HD2 PRO 84 HD2 PRO 84 -10.385 4.981 0.204 656 HD3 PRO 84 HD3 PRO 84 -11.139 6.523 0.651 657 H GLN 85 H GLN 85 -6.613 8.009 -2.426 658 HA GLN 85 HA GLN 85 -6.545 5.846 -4.304 659 HB2 GLN 85 HB2 GLN 85 -4.348 7.434 -4.884 660 HB3 GLN 85 HB3 GLN 85 -5.932 7.536 -5.624 661 HG2 GLN 85 HG2 GLN 85 -5.367 9.719 -4.983 662 HG3 GLN 85 HG3 GLN 85 -6.556 9.162 -3.811 663 HE21 GLN 85 HE21 GLN 85 -3.192 8.207 -3.823 664 HE22 GLN 85 HE22 GLN 85 -2.766 9.005 -2.355 665 H ARG 86 H ARG 86 -5.391 4.102 -4.206 666 HA ARG 86 HA ARG 86 -3.235 4.029 -2.229 667 HB2 ARG 86 HB2 ARG 86 -4.104 1.690 -1.664 668 HB3 ARG 86 HB3 ARG 86 -5.057 3.065 -1.118 669 HG2 ARG 86 HG2 ARG 86 -6.484 2.793 -3.119 670 HG3 ARG 86 HG3 ARG 86 -5.641 1.293 -3.466 671 HD2 ARG 86 HD2 ARG 86 -6.337 0.470 -1.275 672 HD3 ARG 86 HD3 ARG 86 -7.222 1.959 -0.995 673 HE ARG 86 HE ARG 86 -8.009 0.699 -3.423 674 HH11 ARG 86 HH11 ARG 86 -8.441 0.576 0.057 675 HH12 ARG 86 HH12 ARG 86 -10.001 -0.177 -0.047 676 HH21 ARG 86 HH21 ARG 86 -10.043 -0.311 -3.545 677 HH22 ARG 86 HH22 ARG 86 -10.907 -0.682 -2.086 678 H HIS 87 H HIS 87 -1.572 2.633 -2.581 679 HA HIS 87 HA HIS 87 -1.230 1.901 -5.408 680 HB2 HIS 87 HB3 HIS 87 0.803 2.467 -3.246 681 HB3 HIS 87 HB2 HIS 87 1.184 2.119 -4.918 682 HD1 HIS 87 HD1 HIS 87 0.104 3.973 -6.668 683 HD2 HIS 87 HD2 HIS 87 0.546 5.101 -2.691 684 HE1 HIS 87 HE1 HIS 87 0.060 6.482 -6.665 685 HE2 HIS 87 HE2 HIS 87 0.209 7.141 -4.244 686 H MET 88 H MET 88 -1.439 -0.227 -5.778 687 HA MET 88 HA MET 88 -0.701 -2.087 -3.620 688 HB2 MET 88 HB3 MET 88 -3.038 -2.314 -4.267 689 HB3 MET 88 HB2 MET 88 -2.577 -2.497 -5.954 690 HG2 MET 88 HG3 MET 88 -1.327 -4.553 -5.315 691 HG3 MET 88 HG2 MET 88 -1.994 -4.394 -3.696 692 HE1 MET 88 HE1 MET 88 -5.678 -5.262 -4.029 693 HE2 MET 88 HE2 MET 88 -4.808 -3.774 -3.648 694 HE3 MET 88 HE3 MET 88 -4.267 -5.309 -2.974 695 H PHE 89 H PHE 89 1.097 -3.273 -3.888 696 HA PHE 89 HA PHE 89 1.965 -3.740 -6.662 697 HB2 PHE 89 HB3 PHE 89 3.941 -4.080 -4.501 698 HB3 PHE 89 HB2 PHE 89 4.104 -3.270 -6.055 699 HD1 PHE 89 HD2 PHE 89 3.415 -0.921 -6.310 700 HD2 PHE 89 HD1 PHE 89 3.366 -2.870 -2.531 701 HE1 PHE 89 HE2 PHE 89 3.301 1.265 -5.191 702 HE2 PHE 89 HE1 PHE 89 3.263 -0.690 -1.405 703 HZ PHE 89 HZ PHE 89 3.148 1.379 -2.736 704 H SER 90 H SER 90 2.334 -5.852 -7.245 705 HA SER 90 HA SER 90 1.667 -7.859 -5.236 706 HB2 SER 90 HB3 SER 90 0.452 -7.947 -7.387 707 HB3 SER 90 HB2 SER 90 1.975 -8.198 -8.224 708 HG SER 90 HG SER 90 0.752 -10.138 -7.728 709 H PHE 91 H PHE 91 3.124 -9.117 -4.380 710 HA PHE 91 HA PHE 91 5.883 -8.898 -5.395 711 HB2 PHE 91 HB3 PHE 91 4.889 -9.547 -2.601 712 HB3 PHE 91 HB2 PHE 91 6.581 -9.406 -3.073 713 HD1 PHE 91 HD1 PHE 91 3.426 -7.389 -3.242 714 HD2 PHE 91 HD2 PHE 91 7.618 -7.418 -2.678 715 HE1 PHE 91 HE1 PHE 91 3.392 -4.975 -2.727 716 HE2 PHE 91 HE2 PHE 91 7.581 -5.032 -2.179 717 HZ PHE 91 HZ PHE 91 5.335 -3.774 -2.374 718 H ASN 92 H ASN 92 7.258 -10.908 -4.895 719 HA ASN 92 HA ASN 92 5.644 -13.185 -5.823 720 HB2 ASN 92 HB2 ASN 92 8.574 -12.617 -6.307 721 HB3 ASN 92 HB3 ASN 92 7.673 -13.989 -6.948 722 HD21 ASN 92 HD21 ASN 92 6.035 -13.592 -8.507 723 HD22 ASN 92 HD22 ASN 92 6.079 -12.168 -9.491 724 H ASN 93 H ASN 93 7.161 -12.074 -3.158 725 HA ASN 93 HA ASN 93 7.439 -14.760 -2.076 726 HB2 ASN 93 HB2 ASN 93 9.675 -14.030 -2.996 727 HB3 ASN 93 HB3 ASN 93 9.658 -12.718 -1.830 728 HD21 ASN 93 HD21 ASN 93 11.494 -14.997 -2.163 729 HD22 ASN 93 HD22 ASN 93 11.519 -15.795 -0.630 730 H ARG 94 H ARG 94 6.621 -14.898 -0.152 731 HA ARG 94 HA ARG 94 5.277 -12.785 1.104 732 HB2 ARG 94 HB2 ARG 94 4.573 -15.085 1.350 733 HB3 ARG 94 HB3 ARG 94 6.085 -15.497 2.121 734 HG2 ARG 94 HG2 ARG 94 4.351 -15.357 3.767 735 HG3 ARG 94 HG3 ARG 94 5.515 -14.053 4.008 736 HD2 ARG 94 HD2 ARG 94 4.060 -12.499 2.908 737 HD3 ARG 94 HD3 ARG 94 2.912 -13.781 2.544 738 HE ARG 94 HE ARG 94 2.061 -13.550 4.642 739 HH11 ARG 94 HH11 ARG 94 5.291 -12.183 4.633 740 HH12 ARG 94 HH12 ARG 94 5.194 -11.625 6.275 741 HH21 ARG 94 HH21 ARG 94 1.950 -12.820 6.812 742 HH22 ARG 94 HH22 ARG 94 3.307 -12.000 7.513 743 H THR 95 H THR 95 8.518 -13.981 1.461 744 HA THR 95 HA THR 95 9.020 -12.735 3.987 745 HB THR 95 HB THR 95 10.944 -13.739 1.884 746 HG1 THR 95 HG1 THR 95 10.597 -15.644 2.748 747 HG21 THR 95 HG21 THR 95 12.599 -13.736 3.690 748 HG22 THR 95 HG22 THR 95 11.408 -13.019 4.776 749 HG23 THR 95 HG23 THR 95 11.984 -12.112 3.380 750 H VAL 96 H VAL 96 10.254 -12.021 0.718 751 HA VAL 96 HA VAL 96 11.352 -9.557 1.021 752 HB VAL 96 HB VAL 96 9.503 -10.366 -1.244 753 HG11 VAL 96 HG21 VAL 96 10.792 -8.754 -2.580 754 HG12 VAL 96 HG22 VAL 96 11.698 -8.288 -1.141 755 HG13 VAL 96 HG23 VAL 96 9.965 -7.973 -1.231 756 HG21 VAL 96 HG13 VAL 96 11.528 -11.120 -2.382 757 HG22 VAL 96 HG11 VAL 96 11.304 -11.989 -0.866 758 HG23 VAL 96 HG12 VAL 96 12.498 -10.696 -0.973 759 H MET 97 H MET 97 7.903 -10.160 0.309 760 HA MET 97 HA MET 97 7.216 -7.427 0.452 761 HB2 MET 97 HB3 MET 97 4.969 -8.122 0.233 762 HB3 MET 97 HB2 MET 97 5.942 -9.250 -0.707 763 HG2 MET 97 HG3 MET 97 4.942 -10.897 0.350 764 HG3 MET 97 HG2 MET 97 5.722 -10.372 1.841 765 HE1 MET 97 HE1 MET 97 2.984 -9.061 3.966 766 HE2 MET 97 HE2 MET 97 4.502 -8.367 3.394 767 HE3 MET 97 HE3 MET 97 4.426 -10.071 3.843 768 H ASP 98 H ASP 98 7.552 -9.908 2.903 769 HA ASP 98 HA ASP 98 6.085 -8.512 4.924 770 HB2 ASP 98 HB2 ASP 98 6.649 -10.926 5.106 771 HB3 ASP 98 HB3 ASP 98 8.349 -10.492 5.279 772 H ASN 99 H ASN 99 9.292 -8.480 3.684 773 HA ASN 99 HA ASN 99 10.492 -6.930 5.772 774 HB2 ASN 99 HB2 ASN 99 11.324 -7.601 2.933 775 HB3 ASN 99 HB3 ASN 99 12.349 -6.725 4.056 776 HD21 ASN 99 HD21 ASN 99 12.451 -9.436 2.696 777 HD22 ASN 99 HD22 ASN 99 12.827 -10.520 3.991 778 H ILE 100 H ILE 100 9.479 -6.294 2.447 779 HA ILE 100 HA ILE 100 9.825 -3.534 2.340 780 HB ILE 100 HB ILE 100 7.681 -5.279 1.086 781 HG12 ILE 100 HG13 ILE 100 10.022 -5.827 0.509 782 HG13 ILE 100 HG12 ILE 100 9.108 -5.242 -0.879 783 HG21 ILE 100 HG21 ILE 100 8.523 -2.536 0.187 784 HG22 ILE 100 HG22 ILE 100 7.103 -2.834 1.182 785 HG23 ILE 100 HG23 ILE 100 7.203 -3.517 -0.442 786 HD11 ILE 100 HD11 ILE 100 11.252 -4.236 -0.944 787 HD12 ILE 100 HD12 ILE 100 11.135 -3.740 0.743 788 HD13 ILE 100 HD13 ILE 100 10.094 -2.990 -0.468 789 H LYS 101 H LYS 101 6.884 -5.370 3.235 790 HA LYS 101 HA LYS 101 5.214 -3.290 3.909 791 HB2 LYS 101 HB2 LYS 101 4.347 -5.501 3.740 792 HB3 LYS 101 HB3 LYS 101 5.445 -6.106 4.979 793 HG2 LYS 101 HG2 LYS 101 3.325 -4.086 5.577 794 HG3 LYS 101 HG3 LYS 101 2.991 -5.795 5.562 795 HD2 LYS 101 HD2 LYS 101 4.782 -4.274 7.414 796 HD3 LYS 101 HD3 LYS 101 3.342 -5.188 7.822 797 HE2 LYS 101 HE2 LYS 101 6.060 -6.248 7.017 798 HE3 LYS 101 HE3 LYS 101 5.222 -6.438 8.558 799 HZ1 LYS 101 HZ1 LYS 101 5.092 -8.466 7.255 800 HZ2 LYS 101 HZ2 LYS 101 4.330 -7.634 5.992 801 HZ3 LYS 101 HZ3 LYS 101 3.547 -7.805 7.477 802 H MET 102 H MET 102 7.457 -5.077 6.022 803 HA MET 102 HA MET 102 6.650 -3.683 8.355 804 HB2 MET 102 HB3 MET 102 8.347 -4.885 9.498 805 HB3 MET 102 HB2 MET 102 7.769 -5.975 8.244 806 HG2 MET 102 HG3 MET 102 9.650 -5.495 6.873 807 HG3 MET 102 HG2 MET 102 10.192 -4.270 7.987 808 HE1 MET 102 HE1 MET 102 11.317 -6.334 11.086 809 HE2 MET 102 HE2 MET 102 9.731 -5.613 10.820 810 HE3 MET 102 HE3 MET 102 11.187 -4.734 10.357 811 H THR 103 H THR 103 8.920 -3.067 5.845 812 HA THR 103 HA THR 103 10.526 -1.148 7.148 813 HB THR 103 HB THR 103 9.803 -1.521 4.237 814 HG1 THR 103 HG1 THR 103 11.050 -3.214 4.861 815 HG21 THR 103 HG21 THR 103 11.713 -0.106 3.712 816 HG22 THR 103 HG22 THR 103 11.928 0.238 5.431 817 HG23 THR 103 HG23 THR 103 10.460 0.773 4.603 818 H LEU 104 H LEU 104 7.669 -0.937 5.096 819 HA LEU 104 HA LEU 104 7.548 1.894 5.121 820 HB2 LEU 104 HB2 LEU 104 5.392 -0.108 4.452 821 HB3 LEU 104 HB3 LEU 104 5.362 1.582 4.045 822 HG LEU 104 HG LEU 104 7.579 -0.115 3.003 823 HD11 LEU 104 HD11 LEU 104 4.776 -0.019 1.963 824 HD12 LEU 104 HD12 LEU 104 5.717 -1.443 2.409 825 HD13 LEU 104 HD13 LEU 104 6.160 -0.502 0.985 826 HD21 LEU 104 HD21 LEU 104 7.633 2.292 2.676 827 HD22 LEU 104 HD22 LEU 104 6.047 2.199 1.905 828 HD23 LEU 104 HD23 LEU 104 7.446 1.429 1.151 829 H GLN 105 H GLN 105 5.389 -0.534 6.581 830 HA GLN 105 HA GLN 105 3.765 1.218 7.959 831 HB2 GLN 105 HB2 GLN 105 4.555 -1.583 8.734 832 HB3 GLN 105 HB3 GLN 105 3.297 -0.669 9.553 833 HG2 GLN 105 HG2 GLN 105 2.221 -0.418 7.276 834 HG3 GLN 105 HG3 GLN 105 3.356 -1.649 6.732 835 HE21 GLN 105 HE21 GLN 105 1.658 -3.019 6.208 836 HE22 GLN 105 HE22 GLN 105 0.757 -3.863 7.411 837 H GLN 106 H GLN 106 7.024 0.295 8.789 838 HA GLN 106 HA GLN 106 6.937 1.041 11.518 839 HB2 GLN 106 HB2 GLN 106 9.020 0.547 9.494 840 HB3 GLN 106 HB3 GLN 106 9.484 1.486 10.887 841 HG2 GLN 106 HG2 GLN 106 8.708 -0.347 12.340 842 HG3 GLN 106 HG3 GLN 106 8.337 -1.288 10.896 843 HE21 GLN 106 HE21 GLN 106 10.025 -2.040 9.609 844 HE22 GLN 106 HE22 GLN 106 11.649 -2.153 10.204 845 H ILE 107 H ILE 107 7.281 2.661 8.529 846 HA ILE 107 HA ILE 107 8.005 5.246 9.596 847 HB ILE 107 HB ILE 107 6.956 4.447 6.862 848 HG12 ILE 107 HG13 ILE 107 9.848 4.938 7.478 849 HG13 ILE 107 HG12 ILE 107 9.145 3.345 7.695 850 HG21 ILE 107 HG21 ILE 107 8.011 6.527 6.100 851 HG22 ILE 107 HG22 ILE 107 8.378 6.931 7.776 852 HG23 ILE 107 HG23 ILE 107 6.698 6.784 7.245 853 HD11 ILE 107 HD11 ILE 107 10.146 3.350 5.570 854 HD12 ILE 107 HD12 ILE 107 9.460 4.923 5.164 855 HD13 ILE 107 HD13 ILE 107 8.415 3.510 5.280 856 H ILE 108 H ILE 108 5.160 3.645 8.241 857 HA ILE 108 HA ILE 108 3.532 5.963 8.181 858 HB ILE 108 HB ILE 108 2.448 3.166 8.408 859 HG12 ILE 108 HG13 ILE 108 4.063 4.428 6.239 860 HG13 ILE 108 HG12 ILE 108 4.111 2.784 6.835 861 HG21 ILE 108 HG21 ILE 108 1.069 5.383 8.226 862 HG22 ILE 108 HG22 ILE 108 0.600 3.970 7.283 863 HG23 ILE 108 HG23 ILE 108 1.505 5.283 6.521 864 HD11 ILE 108 HD11 ILE 108 3.247 2.801 4.621 865 HD12 ILE 108 HD12 ILE 108 2.022 3.992 5.058 866 HD13 ILE 108 HD13 ILE 108 1.950 2.362 5.734 867 H SER 109 H SER 109 3.614 3.225 10.447 868 HA SER 109 HA SER 109 1.705 4.228 12.253 869 HB2 SER 109 HB3 SER 109 2.621 1.857 12.146 870 HB3 SER 109 HB2 SER 109 4.058 2.462 12.969 871 HG SER 109 HG SER 109 2.235 1.513 14.269 872 H ARG 110 H ARG 110 4.957 4.999 11.621 873 HA ARG 110 HA ARG 110 5.624 6.301 14.050 874 HB2 ARG 110 HB2 ARG 110 7.536 5.739 12.887 875 HB3 ARG 110 HB3 ARG 110 6.743 5.926 11.354 876 HG2 ARG 110 HG2 ARG 110 6.924 8.286 11.476 877 HG3 ARG 110 HG3 ARG 110 7.740 8.175 13.044 878 HD2 ARG 110 HD2 ARG 110 9.488 6.819 11.999 879 HD3 ARG 110 HD3 ARG 110 8.675 6.970 10.450 880 HE ARG 110 HE ARG 110 9.289 9.518 11.572 881 HH11 ARG 110 HH11 ARG 110 10.604 6.788 9.869 882 HH12 ARG 110 HH12 ARG 110 11.860 7.690 9.075 883 HH21 ARG 110 HH21 ARG 110 10.948 10.755 10.557 884 HH22 ARG 110 HH22 ARG 110 12.060 9.962 9.487 885 H TYR 111 H TYR 111 4.234 7.243 10.963 886 HA TYR 111 HA TYR 111 4.322 10.045 11.662 887 HB2 TYR 111 HB3 TYR 111 3.711 8.501 9.200 888 HB3 TYR 111 HB2 TYR 111 3.008 10.106 9.354 889 HD1 TYR 111 HD2 TYR 111 4.512 12.081 9.630 890 HD2 TYR 111 HD1 TYR 111 6.010 8.208 8.759 891 HE1 TYR 111 HE2 TYR 111 6.650 13.074 8.936 892 HE2 TYR 111 HE1 TYR 111 8.159 9.182 8.062 893 HH TYR 111 HH TYR 111 9.008 12.396 8.718 894 H LYS 112 H LYS 112 2.034 7.433 11.573 895 HA LYS 112 HA LYS 112 -0.278 9.110 11.904 896 HB2 LYS 112 HB2 LYS 112 0.033 6.161 12.541 897 HB3 LYS 112 HB3 LYS 112 -1.477 7.043 12.363 898 HG2 LYS 112 HG2 LYS 112 -1.374 7.035 10.110 899 HG3 LYS 112 HG3 LYS 112 0.392 7.123 10.080 900 HD2 LYS 112 HD2 LYS 112 -0.288 4.954 9.292 901 HD3 LYS 112 HD3 LYS 112 0.473 4.784 10.865 902 HE2 LYS 112 HE2 LYS 112 -1.476 3.411 10.751 903 HE3 LYS 112 HE3 LYS 112 -1.734 4.701 11.915 904 HZ1 LYS 112 HZ1 LYS 112 -3.681 4.404 10.548 905 HZ2 LYS 112 HZ2 LYS 112 -2.775 4.622 9.132 906 HZ3 LYS 112 HZ3 LYS 112 -2.979 5.903 10.213 907 H ASP 113 H ASP 113 2.185 7.864 13.897 908 HA ASP 113 HA ASP 113 0.919 8.240 16.418 909 HB2 ASP 113 HB2 ASP 113 2.896 6.846 16.237 910 HB3 ASP 113 HB3 ASP 113 3.828 8.185 15.585 911 H ALA 114 H ALA 114 2.192 10.296 14.031 912 HA ALA 114 HA ALA 114 2.026 12.613 15.845 913 HB1 ALA 114 HB1 ALA 114 3.795 13.678 14.522 914 HB2 ALA 114 HB2 ALA 114 3.933 12.220 13.539 915 HB3 ALA 114 HB3 ALA 114 4.349 12.173 15.253 916 H ASP 115 H ASP 115 -0.101 11.490 14.265 917 HA ASP 115 HA ASP 115 -0.622 13.768 12.491 918 HB2 ASP 115 HB2 ASP 115 0.127 11.859 11.102 919 HB3 ASP 115 HB3 ASP 115 -1.178 10.887 11.763 920 H1 GLY 242 H1 GLY 242 7.482 -22.034 -18.718 921 H2 GLY 242 H2 GLY 242 7.393 -23.190 -17.488 922 H3 GLY 242 H3 GLY 242 7.966 -23.626 -19.014 923 HA2 GLY 242 HA2 GLY 242 9.888 -22.206 -18.749 924 HA3 GLY 242 HA3 GLY 242 9.290 -21.720 -17.169 925 H GLY 243 H GLY 243 11.104 -22.506 -16.073 926 HA2 GLY 243 HA3 GLY 243 10.911 -25.274 -15.359 927 HA3 GLY 243 HA2 GLY 243 12.349 -24.928 -16.306 928 H GLY 244 H GLY 244 12.549 -25.900 -13.750 929 HA2 GLY 244 HA3 GLY 244 13.993 -25.484 -11.992 930 HA3 GLY 244 HA2 GLY 244 14.142 -23.822 -12.546 931 H GLY 245 H GLY 245 12.313 -22.384 -12.090 932 HA2 GLY 245 HA3 GLY 245 10.365 -23.091 -10.136 933 HA3 GLY 245 HA2 GLY 245 11.713 -22.220 -9.413 934 H TYR 246 H TYR 246 9.620 -20.878 -9.040 935 HA TYR 246 HA TYR 246 8.545 -18.914 -9.323 936 HB2 TYR 246 HB3 TYR 246 10.660 -17.860 -9.779 937 HB3 TYR 246 HB2 TYR 246 10.670 -18.470 -11.428 938 HD1 TYR 246 HD1 TYR 246 9.114 -16.042 -9.137 939 HD2 TYR 246 HD2 TYR 246 9.463 -17.341 -13.171 940 HE1 TYR 246 HE1 TYR 246 8.030 -13.971 -9.888 941 HE2 TYR 246 HE2 TYR 246 8.380 -15.270 -13.935 942 HH TYR 246 HH TYR 246 6.818 -13.557 -12.993 943 H ASP 247 H ASP 247 6.544 -19.059 -10.020 944 HA ASP 247 HA ASP 247 5.959 -20.105 -12.657 945 HB2 ASP 247 HB2 ASP 247 4.143 -19.136 -10.437 946 HB3 ASP 247 HB3 ASP 247 3.575 -19.803 -11.965 947 H VAL 248 H VAL 248 5.331 -18.920 -14.383 948 HA VAL 248 HA VAL 248 5.949 -16.100 -14.216 949 HB VAL 248 HB VAL 248 6.743 -17.638 -16.066 950 HG11 VAL 248 HG21 VAL 248 3.906 -17.319 -17.020 951 HG12 VAL 248 HG22 VAL 248 4.697 -18.818 -16.536 952 HG13 VAL 248 HG23 VAL 248 5.238 -17.962 -17.980 953 HG21 VAL 248 HG13 VAL 248 6.950 -15.228 -16.231 954 HG22 VAL 248 HG11 VAL 248 5.311 -15.112 -16.870 955 HG23 VAL 248 HG12 VAL 248 6.567 -15.923 -17.805 956 H GLU 249 H GLU 249 3.360 -17.495 -13.222 957 HA GLU 249 HA GLU 249 1.533 -15.551 -14.470 958 HB2 GLU 249 HB2 GLU 249 0.958 -17.983 -14.849 959 HB3 GLU 249 HB3 GLU 249 0.696 -18.117 -13.114 960 HG2 GLU 249 HG3 GLU 249 -1.412 -17.796 -14.221 961 HG3 GLU 249 HG2 GLU 249 -1.028 -16.366 -13.262 962 H MET 250 H MET 250 1.062 -13.933 -13.183 963 HA MET 250 HA MET 250 1.079 -14.371 -10.280 964 HB2 MET 250 HB3 MET 250 1.883 -11.883 -11.789 965 HB3 MET 250 HB2 MET 250 1.840 -12.035 -10.038 966 HG2 MET 250 HG3 MET 250 3.630 -13.590 -10.041 967 HG3 MET 250 HG2 MET 250 3.555 -13.769 -11.792 968 HE1 MET 250 HE1 MET 250 3.247 -10.764 -12.802 969 HE2 MET 250 HE2 MET 250 4.343 -11.951 -13.508 970 HE3 MET 250 HE3 MET 250 4.943 -10.355 -13.060 971 H GLU 251 H GLU 251 -0.489 -13.073 -13.001 972 HA GLU 251 HA GLU 251 -2.425 -11.512 -11.593 973 HB2 GLU 251 HB2 GLU 251 -2.261 -12.461 -14.448 974 HB3 GLU 251 HB3 GLU 251 -3.473 -11.353 -13.842 975 HG2 GLU 251 HG3 GLU 251 -1.777 -9.720 -13.310 976 HG3 GLU 251 HG2 GLU 251 -0.513 -10.848 -13.798 977 H SER 252 H SER 252 -4.290 -12.202 -10.763 978 HA SER 252 HA SER 252 -5.766 -14.428 -11.673 979 HB2 SER 252 HB3 SER 252 -5.357 -15.857 -9.643 980 HB3 SER 252 HB2 SER 252 -3.969 -15.709 -10.720 981 HG SER 252 HG SER 252 -3.255 -13.977 -9.294 982 H GLU 253 H GLU 253 -7.418 -15.044 -9.822 983 HA GLU 253 HA GLU 253 -8.676 -12.623 -8.987 984 HB2 GLU 253 HB2 GLU 253 -9.884 -14.694 -9.698 985 HB3 GLU 253 HB3 GLU 253 -9.336 -15.475 -8.223 986 HG2 GLU 253 HG3 GLU 253 -11.594 -14.733 -7.944 987 HG3 GLU 253 HG2 GLU 253 -10.526 -13.777 -6.918 988 H GLU 254 H GLU 254 -6.481 -14.878 -7.616 989 HA GLU 254 HA GLU 254 -6.959 -14.538 -4.883 990 HB2 GLU 254 HB2 GLU 254 -4.366 -15.180 -6.293 991 HB3 GLU 254 HB3 GLU 254 -4.633 -15.336 -4.566 992 HG2 GLU 254 HG3 GLU 254 -4.910 -17.486 -5.301 993 HG3 GLU 254 HG2 GLU 254 -6.571 -16.903 -5.256 994 H GLU 255 H GLU 255 -5.546 -12.393 -7.154 995 HA GLU 255 HA GLU 255 -3.764 -10.919 -5.611 996 HB2 GLU 255 HB2 GLU 255 -5.577 -10.005 -7.843 997 HB3 GLU 255 HB3 GLU 255 -4.258 -9.047 -7.187 998 HG2 GLU 255 HG3 GLU 255 -2.665 -10.759 -7.873 999 HG3 GLU 255 HG2 GLU 255 -3.986 -11.732 -8.519 1000 H SER 256 H SER 256 -7.256 -10.867 -5.640 1001 HA SER 256 HA SER 256 -8.778 -9.961 -4.240 1002 HB2 SER 256 HB3 SER 256 -6.366 -9.619 -2.472 1003 HB3 SER 256 HB2 SER 256 -8.042 -9.509 -1.930 1004 HG SER 256 HG SER 256 -6.831 -11.781 -3.141 1005 H ASP 257 H ASP 257 -9.259 -8.229 -5.586 1006 HA ASP 257 HA ASP 257 -7.870 -5.780 -5.663 1007 HB2 ASP 257 HB2 ASP 257 -9.510 -6.523 -7.375 1008 HB3 ASP 257 HB3 ASP 257 -10.804 -6.270 -6.210 1009 H ASP 258 H ASP 258 -10.413 -6.991 -3.589 1010 HA ASP 258 HA ASP 258 -11.130 -4.562 -2.353 1011 HB2 ASP 258 HB2 ASP 258 -11.274 -7.417 -1.379 1012 HB3 ASP 258 HB3 ASP 258 -11.918 -6.056 -0.468 1013 H ASP 259 H ASP 259 -9.248 -7.198 -0.946 1014 HA ASP 259 HA ASP 259 -7.052 -5.585 -0.261 1015 HB2 ASP 259 HB2 ASP 259 -7.297 -5.703 2.234 1016 HB3 ASP 259 HB3 ASP 259 -8.409 -4.609 1.430 1017 H GLY 260 H GLY 260 -8.359 -8.180 1.815 1018 HA2 GLY 260 HA3 GLY 260 -7.631 -10.356 2.090 1019 HA3 GLY 260 HA2 GLY 260 -6.886 -10.250 0.500 1020 H PHE 261 H PHE 261 -6.115 -7.905 2.874 1021 HA PHE 261 HA PHE 261 -3.479 -9.111 3.321 1022 HB2 PHE 261 HB3 PHE 261 -4.080 -6.157 3.086 1023 HB3 PHE 261 HB2 PHE 261 -2.496 -6.894 3.269 1024 HD1 PHE 261 HD2 PHE 261 -2.975 -9.143 1.225 1025 HD2 PHE 261 HD1 PHE 261 -3.637 -4.952 1.130 1026 HE1 PHE 261 HE2 PHE 261 -2.741 -9.160 -1.216 1027 HE2 PHE 261 HE1 PHE 261 -3.401 -4.958 -1.309 1028 HZ PHE 261 HZ PHE 261 -2.952 -7.068 -2.493 1029 H VAL 262 H VAL 262 -2.418 -7.787 5.269 1030 HA VAL 262 HA VAL 262 -4.444 -7.014 7.233 1031 HB VAL 262 HB VAL 262 -3.817 -9.421 7.628 1032 HG11 VAL 262 HG21 VAL 262 -1.640 -9.896 8.646 1033 HG12 VAL 262 HG22 VAL 262 -1.137 -8.236 8.331 1034 HG13 VAL 262 HG23 VAL 262 -1.479 -9.323 6.986 1035 HG21 VAL 262 HG13 VAL 262 -3.116 -7.457 9.806 1036 HG22 VAL 262 HG11 VAL 262 -3.508 -9.159 10.047 1037 HG23 VAL 262 HG12 VAL 262 -4.729 -8.056 9.414 1038 H GLU 263 H GLU 263 -3.785 -5.397 8.619 1039 HA GLU 263 HA GLU 263 -1.227 -4.137 8.025 1040 HB2 GLU 263 HB2 GLU 263 -3.414 -2.852 8.285 1041 HB3 GLU 263 HB3 GLU 263 -3.314 -3.208 10.003 1042 HG2 GLU 263 HG3 GLU 263 -1.028 -2.112 9.945 1043 HG3 GLU 263 HG2 GLU 263 -1.470 -1.529 8.338 1044 H VAL 264 H VAL 264 0.532 -4.499 9.227 1045 HA VAL 264 HA VAL 264 0.202 -6.065 11.685 1046 HB VAL 264 HB VAL 264 2.690 -5.677 10.005 1047 HG11 VAL 264 HG21 VAL 264 3.582 -7.564 11.295 1048 HG12 VAL 264 HG22 VAL 264 2.109 -7.597 12.262 1049 HG13 VAL 264 HG23 VAL 264 3.181 -6.199 12.338 1050 HG21 VAL 264 HG13 VAL 264 0.772 -8.007 10.111 1051 HG22 VAL 264 HG11 VAL 264 2.299 -7.975 9.228 1052 HG23 VAL 264 HG12 VAL 264 0.986 -6.894 8.760 1053 H ASP 265 H ASP 265 0.050 -4.693 13.368 1054 HA ASP 265 HA ASP 265 2.285 -2.852 13.793 1055 HB2 ASP 265 HB2 ASP 265 0.368 -1.518 12.953 1056 HB3 ASP 265 HB3 ASP 265 -0.606 -2.109 14.281 Start of MODEL 10 1 H2 PRO 1 H2 PRO 1 19.786 -6.045 5.046 2 H3 PRO 1 H3 PRO 1 18.253 -6.569 4.872 3 HA PRO 1 HA PRO 1 19.719 -4.719 3.396 4 HB2 PRO 1 HB3 PRO 1 17.924 -5.783 1.477 5 HB3 PRO 1 HB2 PRO 1 19.688 -5.699 1.376 6 HG2 PRO 1 HG3 PRO 1 17.951 -7.940 2.235 7 HG3 PRO 1 HG2 PRO 1 19.548 -7.981 1.471 8 HD2 PRO 1 HD2 PRO 1 19.251 -8.571 4.062 9 HD3 PRO 1 HD3 PRO 1 20.663 -7.663 3.491 10 H SER 2 H SER 2 16.530 -6.248 3.013 11 HA SER 2 HA SER 2 14.423 -5.438 3.072 12 HB2 SER 2 HB3 SER 2 13.710 -4.325 5.053 13 HB3 SER 2 HB2 SER 2 15.021 -5.385 5.539 14 HG SER 2 HG SER 2 16.372 -3.383 5.187 15 H HIS 3 H HIS 3 13.180 -3.115 3.439 16 HA HIS 3 HA HIS 3 12.707 -1.066 2.614 17 HB2 HIS 3 HB3 HIS 3 15.704 -0.922 2.748 18 HB3 HIS 3 HB2 HIS 3 14.790 0.401 2.040 19 HD1 HIS 3 HD1 HIS 3 15.070 -1.478 5.339 20 HD2 HIS 3 HD2 HIS 3 13.874 2.207 3.824 21 HE1 HIS 3 HE1 HIS 3 14.569 -0.046 7.346 22 HE2 HIS 3 HE2 HIS 3 14.024 2.234 6.407 23 H SER 4 H SER 4 13.818 -3.432 0.745 24 HA SER 4 HA SER 4 13.026 -2.106 -1.682 25 HB2 SER 4 HB3 SER 4 15.847 -3.212 -1.549 26 HB3 SER 4 HB2 SER 4 15.047 -2.501 -2.953 27 HG SER 4 HG SER 4 14.965 -0.799 -0.866 28 H GLY 5 H GLY 5 12.507 -3.557 -3.316 29 HA2 GLY 5 HA3 GLY 5 13.136 -6.269 -3.445 30 HA3 GLY 5 HA2 GLY 5 11.660 -6.121 -2.496 31 H ALA 6 H ALA 6 12.039 -7.297 -5.179 32 HA ALA 6 HA ALA 6 11.098 -5.386 -7.072 33 HB1 ALA 6 HB1 ALA 6 11.167 -8.385 -7.339 34 HB2 ALA 6 HB2 ALA 6 12.505 -7.294 -7.705 35 HB3 ALA 6 HB3 ALA 6 11.017 -7.206 -8.646 36 H ALA 7 H ALA 7 9.042 -5.088 -7.907 37 HA ALA 7 HA ALA 7 6.850 -6.769 -6.993 38 HB1 ALA 7 HB1 ALA 7 6.815 -3.806 -6.445 39 HB2 ALA 7 HB2 ALA 7 7.076 -5.057 -5.229 40 HB3 ALA 7 HB3 ALA 7 5.536 -4.967 -6.086 41 H ILE 8 H ILE 8 4.806 -6.184 -8.001 42 HA ILE 8 HA ILE 8 5.179 -5.136 -10.739 43 HB ILE 8 HB ILE 8 3.266 -7.199 -9.602 44 HG12 ILE 8 HG13 ILE 8 4.180 -8.612 -11.471 45 HG13 ILE 8 HG12 ILE 8 5.362 -7.355 -11.774 46 HG21 ILE 8 HG21 ILE 8 3.199 -5.968 -12.344 47 HG22 ILE 8 HG22 ILE 8 2.014 -5.735 -11.060 48 HG23 ILE 8 HG23 ILE 8 2.214 -7.325 -11.797 49 HD11 ILE 8 HD11 ILE 8 5.082 -8.959 -9.248 50 HD12 ILE 8 HD12 ILE 8 6.257 -7.671 -9.515 51 HD13 ILE 8 HD13 ILE 8 6.329 -9.145 -10.480 52 H PHE 9 H PHE 9 4.115 -3.340 -11.249 53 HA PHE 9 HA PHE 9 2.007 -2.467 -9.402 54 HB2 PHE 9 HB3 PHE 9 3.966 -1.041 -9.285 55 HB3 PHE 9 HB2 PHE 9 3.960 -0.836 -11.031 56 HD1 PHE 9 HD1 PHE 9 1.910 -0.164 -8.001 57 HD2 PHE 9 HD2 PHE 9 2.893 0.980 -11.979 58 HE1 PHE 9 HE1 PHE 9 0.569 1.881 -7.744 59 HE2 PHE 9 HE2 PHE 9 1.546 3.021 -11.730 60 HZ PHE 9 HZ PHE 9 0.382 3.475 -9.609 61 H GLU 10 H GLU 10 0.181 -3.110 -10.390 62 HA GLU 10 HA GLU 10 -1.467 -3.349 -11.925 63 HB2 GLU 10 HB2 GLU 10 -0.253 -0.848 -13.084 64 HB3 GLU 10 HB3 GLU 10 -1.847 -1.482 -13.477 65 HG2 GLU 10 HG3 GLU 10 -2.329 -1.295 -10.967 66 HG3 GLU 10 HG2 GLU 10 -0.901 -0.266 -10.912 67 H LYS 11 H LYS 11 0.338 -5.083 -12.410 68 HA LYS 11 HA LYS 11 0.648 -6.678 -13.957 69 HB2 LYS 11 HB2 LYS 11 -0.466 -4.796 -16.016 70 HB3 LYS 11 HB3 LYS 11 -0.274 -6.541 -16.168 71 HG2 LYS 11 HG2 LYS 11 -2.001 -5.179 -14.144 72 HG3 LYS 11 HG3 LYS 11 -2.587 -5.870 -15.643 73 HD2 LYS 11 HD2 LYS 11 -2.259 -8.003 -14.907 74 HD3 LYS 11 HD3 LYS 11 -1.033 -7.536 -13.750 75 HE2 LYS 11 HE2 LYS 11 -3.011 -8.146 -12.549 76 HE3 LYS 11 HE3 LYS 11 -2.793 -6.400 -12.449 77 HZ1 LYS 11 HZ1 LYS 11 -4.436 -6.113 -14.177 78 HZ2 LYS 11 HZ2 LYS 11 -5.093 -6.990 -12.892 79 HZ3 LYS 11 HZ3 LYS 11 -4.635 -7.788 -14.311 80 H VAL 12 H VAL 12 2.191 -3.636 -14.191 81 HA VAL 12 HA VAL 12 4.225 -4.840 -15.934 82 HB VAL 12 HB VAL 12 4.059 -2.597 -16.584 83 HG11 VAL 12 HG21 VAL 12 4.049 -1.800 -13.681 84 HG12 VAL 12 HG22 VAL 12 2.649 -1.824 -14.755 85 HG13 VAL 12 HG23 VAL 12 3.974 -0.703 -15.061 86 HG21 VAL 12 HG13 VAL 12 6.282 -2.771 -14.550 87 HG22 VAL 12 HG11 VAL 12 6.143 -1.501 -15.775 88 HG23 VAL 12 HG12 VAL 12 6.372 -3.179 -16.268 89 H SER 13 H SER 13 6.041 -5.701 -15.203 90 HA SER 13 HA SER 13 6.340 -5.974 -12.345 91 HB2 SER 13 HB3 SER 13 6.578 -7.920 -13.909 92 HB3 SER 13 HB2 SER 13 8.043 -7.169 -14.537 93 HG SER 13 HG SER 13 7.683 -8.623 -12.283 94 H GLY 14 H GLY 14 7.832 -5.056 -11.101 95 HA2 GLY 14 HA3 GLY 14 10.172 -3.834 -12.256 96 HA3 GLY 14 HA2 GLY 14 9.024 -2.706 -11.572 97 H ILE 15 H ILE 15 10.610 -2.069 -10.080 98 HA ILE 15 HA ILE 15 11.024 -3.980 -7.908 99 HB ILE 15 HB ILE 15 12.965 -1.821 -8.628 100 HG12 ILE 15 HG13 ILE 15 12.717 -3.489 -10.473 101 HG13 ILE 15 HG12 ILE 15 14.317 -3.408 -9.778 102 HG21 ILE 15 HG21 ILE 15 13.239 -4.284 -6.923 103 HG22 ILE 15 HG22 ILE 15 13.115 -2.622 -6.345 104 HG23 ILE 15 HG23 ILE 15 14.526 -3.133 -7.270 105 HD11 ILE 15 HD11 ILE 15 13.924 -5.450 -8.571 106 HD12 ILE 15 HD12 ILE 15 13.617 -5.674 -10.297 107 HD13 ILE 15 HD13 ILE 15 12.266 -5.502 -9.174 108 H ILE 16 H ILE 16 11.170 -3.080 -5.821 109 HA ILE 16 HA ILE 16 10.011 -0.385 -5.559 110 HB ILE 16 HB ILE 16 8.975 -2.895 -4.643 111 HG12 ILE 16 HG13 ILE 16 8.028 -0.063 -4.202 112 HG13 ILE 16 HG12 ILE 16 7.739 -1.008 -5.658 113 HG21 ILE 16 HG21 ILE 16 10.231 -2.561 -2.588 114 HG22 ILE 16 HG22 ILE 16 8.507 -2.322 -2.293 115 HG23 ILE 16 HG23 ILE 16 9.581 -0.928 -2.431 116 HD11 ILE 16 HD11 ILE 16 6.757 -1.685 -2.899 117 HD12 ILE 16 HD12 ILE 16 6.448 -2.613 -4.365 118 HD13 ILE 16 HD13 ILE 16 5.794 -0.984 -4.199 119 H ALA 17 H ALA 17 11.107 0.977 -4.302 120 HA ALA 17 HA ALA 17 12.965 -0.128 -2.319 121 HB1 ALA 17 HB1 ALA 17 14.640 1.580 -2.953 122 HB2 ALA 17 HB2 ALA 17 13.646 1.975 -4.361 123 HB3 ALA 17 HB3 ALA 17 14.344 0.358 -4.187 124 H ILE 18 H ILE 18 12.124 0.531 -0.471 125 HA ILE 18 HA ILE 18 11.018 3.176 -0.097 126 HB ILE 18 HB ILE 18 11.651 1.202 2.073 127 HG12 ILE 18 HG13 ILE 18 9.009 0.920 1.846 128 HG13 ILE 18 HG12 ILE 18 9.364 1.282 0.161 129 HG21 ILE 18 HG21 ILE 18 9.707 3.507 1.944 130 HG22 ILE 18 HG22 ILE 18 11.292 3.555 2.721 131 HG23 ILE 18 HG23 ILE 18 10.028 2.485 3.345 132 HD11 ILE 18 HD11 ILE 18 9.308 -1.079 0.510 133 HD12 ILE 18 HD12 ILE 18 10.523 -0.959 1.778 134 HD13 ILE 18 HD13 ILE 18 10.942 -0.574 0.110 135 H ASN 19 H ASN 19 12.397 4.830 0.215 136 HA ASN 19 HA ASN 19 14.917 4.282 1.632 137 HB2 ASN 19 HB2 ASN 19 15.667 4.864 -0.488 138 HB3 ASN 19 HB3 ASN 19 14.320 5.956 -0.770 139 HD21 ASN 19 HD21 ASN 19 14.461 8.058 -0.131 140 HD22 ASN 19 HD22 ASN 19 15.919 8.781 0.463 141 H GLU 20 H GLU 20 15.026 5.231 3.607 142 HA GLU 20 HA GLU 20 13.681 7.849 3.709 143 HB2 GLU 20 HB2 GLU 20 14.866 6.461 6.102 144 HB3 GLU 20 HB3 GLU 20 13.556 7.627 6.044 145 HG2 GLU 20 HG3 GLU 20 11.986 6.060 5.529 146 HG3 GLU 20 HG2 GLU 20 13.154 4.996 4.754 147 H ASP 21 H ASP 21 15.610 8.428 2.340 148 HA ASP 21 HA ASP 21 17.482 9.739 4.190 149 HB2 ASP 21 HB2 ASP 21 18.759 8.513 2.534 150 HB3 ASP 21 HB3 ASP 21 17.748 9.120 1.231 151 H VAL 22 H VAL 22 14.692 9.840 2.660 152 HA VAL 22 HA VAL 22 15.034 12.259 1.055 153 HB VAL 22 HB VAL 22 14.387 10.078 0.055 154 HG11 VAL 22 HG21 VAL 22 12.234 9.084 0.488 155 HG12 VAL 22 HG22 VAL 22 11.843 10.379 1.619 156 HG13 VAL 22 HG23 VAL 22 13.141 9.246 1.992 157 HG21 VAL 22 HG13 VAL 22 13.674 11.894 -1.262 158 HG22 VAL 22 HG11 VAL 22 12.352 12.275 -0.153 159 HG23 VAL 22 HG12 VAL 22 12.282 10.802 -1.128 160 H SER 23 H SER 23 13.010 13.572 0.777 161 HA SER 23 HA SER 23 11.733 14.587 3.037 162 HB2 SER 23 HB3 SER 23 11.735 15.276 0.430 163 HB3 SER 23 HB2 SER 23 10.210 14.399 0.462 164 HG SER 23 HG SER 23 10.916 16.573 2.151 165 HA PRO 24 HA PRO 24 9.303 12.048 5.092 166 HB2 PRO 24 HB3 PRO 24 6.673 11.799 4.166 167 HB3 PRO 24 HB2 PRO 24 7.241 13.003 5.327 168 HG2 PRO 24 HG3 PRO 24 6.940 13.235 2.349 169 HG3 PRO 24 HG2 PRO 24 6.429 14.375 3.602 170 HD2 PRO 24 HD2 PRO 24 8.650 14.887 2.314 171 HD3 PRO 24 HD3 PRO 24 8.702 14.965 4.095 172 H ALA 25 H ALA 25 9.375 9.874 5.160 173 HA ALA 25 HA ALA 25 10.923 8.747 3.345 174 HB1 ALA 25 HB1 ALA 25 10.296 7.767 5.552 175 HB2 ALA 25 HB2 ALA 25 10.566 6.622 4.236 176 HB3 ALA 25 HB3 ALA 25 8.925 7.024 4.730 177 H GLU 26 H GLU 26 10.916 7.531 1.570 178 HA GLU 26 HA GLU 26 8.407 7.566 0.135 179 HB2 GLU 26 HB2 GLU 26 11.023 8.731 -0.814 180 HB3 GLU 26 HB3 GLU 26 9.770 8.220 -1.943 181 HG2 GLU 26 HG3 GLU 26 8.200 9.743 -0.695 182 HG3 GLU 26 HG2 GLU 26 9.618 10.368 0.146 183 H LEU 27 H LEU 27 7.963 5.913 -1.081 184 HA LEU 27 HA LEU 27 9.906 3.720 -1.373 185 HB2 LEU 27 HB2 LEU 27 7.813 3.016 -0.458 186 HB3 LEU 27 HB3 LEU 27 6.907 3.971 -1.600 187 HG LEU 27 HG LEU 27 8.520 1.556 -2.439 188 HD11 LEU 27 HD11 LEU 27 5.611 1.728 -1.710 189 HD12 LEU 27 HD12 LEU 27 6.871 0.966 -0.731 190 HD13 LEU 27 HD13 LEU 27 6.461 0.304 -2.314 191 HD21 LEU 27 HD21 LEU 27 7.829 3.120 -4.247 192 HD22 LEU 27 HD22 LEU 27 6.151 2.924 -3.745 193 HD23 LEU 27 HD23 LEU 27 7.050 1.546 -4.381 194 H THR 28 H THR 28 10.480 3.076 -3.447 195 HA THR 28 HA THR 28 9.407 4.755 -5.597 196 HB THR 28 HB THR 28 12.314 4.004 -5.448 197 HG1 THR 28 HG1 THR 28 11.320 5.554 -3.750 198 HG21 THR 28 HG21 THR 28 12.471 5.912 -7.053 199 HG22 THR 28 HG22 THR 28 10.704 5.958 -7.075 200 HG23 THR 28 HG23 THR 28 11.563 4.526 -7.653 201 H TRP 29 H TRP 29 8.294 3.380 -6.783 202 HA TRP 29 HA TRP 29 9.362 0.714 -7.262 203 HB2 TRP 29 HB3 TRP 29 6.953 0.931 -6.896 204 HB3 TRP 29 HB2 TRP 29 6.831 2.017 -8.278 205 HD1 TRP 29 HD1 TRP 29 7.594 -1.690 -7.488 206 HE1 TRP 29 HE1 TRP 29 7.083 -3.075 -9.600 207 HE3 TRP 29 HE3 TRP 29 6.513 2.123 -10.697 208 HZ2 TRP 29 HZ2 TRP 29 6.334 -2.600 -12.270 209 HZ3 TRP 29 HZ3 TRP 29 5.899 1.570 -13.006 210 HH2 TRP 29 HH2 TRP 29 5.816 -0.734 -13.777 211 H ARG 30 H ARG 30 10.774 0.405 -8.732 212 HA ARG 30 HA ARG 30 10.823 2.120 -11.129 213 HB2 ARG 30 HB2 ARG 30 12.690 2.669 -9.693 214 HB3 ARG 30 HB3 ARG 30 13.079 0.964 -9.476 215 HG2 ARG 30 HG2 ARG 30 13.082 1.803 -12.256 216 HG3 ARG 30 HG3 ARG 30 14.259 2.662 -11.263 217 HD2 ARG 30 HD2 ARG 30 15.246 0.630 -10.548 218 HD3 ARG 30 HD3 ARG 30 13.965 -0.340 -11.272 219 HE ARG 30 HE ARG 30 15.165 1.173 -13.298 220 HH11 ARG 30 HH11 ARG 30 16.017 -1.413 -11.097 221 HH12 ARG 30 HH12 ARG 30 17.226 -2.084 -12.144 222 HH21 ARG 30 HH21 ARG 30 16.762 0.295 -14.683 223 HH22 ARG 30 HH22 ARG 30 17.648 -1.111 -14.189 224 H SER 31 H SER 31 10.572 0.986 -13.002 225 HA SER 31 HA SER 31 9.892 -1.712 -12.967 226 HB2 SER 31 HB3 SER 31 10.872 -0.083 -15.319 227 HB3 SER 31 HB2 SER 31 9.952 -1.582 -15.409 228 HG SER 31 HG SER 31 8.691 0.196 -13.833 229 H THR 32 H THR 32 10.934 -3.550 -13.499 230 HA THR 32 HA THR 32 13.581 -3.854 -12.663 231 HB THR 32 HB THR 32 12.092 -5.752 -14.489 232 HG1 THR 32 HG1 THR 32 12.011 -5.543 -11.640 233 HG21 THR 32 HG21 THR 32 13.413 -7.467 -13.333 234 HG22 THR 32 HG22 THR 32 14.217 -6.213 -12.389 235 HG23 THR 32 HG23 THR 32 14.457 -6.292 -14.133 236 H ASP 33 H ASP 33 12.179 -3.444 -15.860 237 HA ASP 33 HA ASP 33 14.682 -3.795 -17.231 238 HB2 ASP 33 HB2 ASP 33 11.913 -3.013 -18.150 239 HB3 ASP 33 HB3 ASP 33 13.277 -3.270 -19.213 240 H GLY 34 H GLY 34 13.218 -1.292 -15.555 241 HA2 GLY 34 HA3 GLY 34 13.996 0.886 -15.325 242 HA3 GLY 34 HA2 GLY 34 14.990 0.664 -16.756 243 H ASP 35 H ASP 35 11.661 -0.186 -16.942 244 HA ASP 35 HA ASP 35 11.241 1.570 -19.112 245 HB2 ASP 35 HB2 ASP 35 10.149 -0.623 -18.917 246 HB3 ASP 35 HB3 ASP 35 9.206 0.001 -17.573 247 H LYS 36 H LYS 36 9.717 1.514 -15.894 248 HA LYS 36 HA LYS 36 9.344 4.404 -16.088 249 HB2 LYS 36 HB2 LYS 36 7.010 4.361 -15.755 250 HB3 LYS 36 HB3 LYS 36 7.308 3.162 -17.006 251 HG2 LYS 36 HG2 LYS 36 7.369 1.492 -15.030 252 HG3 LYS 36 HG3 LYS 36 6.537 2.778 -14.167 253 HD2 LYS 36 HD2 LYS 36 5.582 1.638 -16.769 254 HD3 LYS 36 HD3 LYS 36 5.031 1.095 -15.184 255 HE2 LYS 36 HE2 LYS 36 3.441 2.631 -15.665 256 HE3 LYS 36 HE3 LYS 36 4.586 3.644 -14.815 257 HZ1 LYS 36 HZ1 LYS 36 5.461 4.370 -16.955 258 HZ2 LYS 36 HZ2 LYS 36 3.816 4.719 -16.824 259 HZ3 LYS 36 HZ3 LYS 36 4.328 3.412 -17.763 260 H VAL 37 H VAL 37 8.627 5.364 -14.008 261 HA VAL 37 HA VAL 37 9.373 3.740 -11.659 262 HB VAL 37 HB VAL 37 10.333 6.566 -12.194 263 HG11 VAL 37 HG21 VAL 37 9.896 6.167 -9.831 264 HG12 VAL 37 HG22 VAL 37 11.626 6.310 -10.141 265 HG13 VAL 37 HG23 VAL 37 10.906 4.721 -9.880 266 HG21 VAL 37 HG13 VAL 37 11.524 4.915 -13.551 267 HG22 VAL 37 HG11 VAL 37 11.894 3.986 -12.098 268 HG23 VAL 37 HG12 VAL 37 12.570 5.603 -12.307 269 H HIS 38 H HIS 38 8.135 4.087 -9.868 270 HA HIS 38 HA HIS 38 6.306 6.391 -9.807 271 HB2 HIS 38 HB3 HIS 38 5.211 4.212 -10.599 272 HB3 HIS 38 HB2 HIS 38 5.476 3.643 -8.953 273 HD1 HIS 38 HD1 HIS 38 3.299 5.840 -10.990 274 HD2 HIS 38 HD2 HIS 38 3.914 4.974 -6.972 275 HE1 HIS 38 HE1 HIS 38 1.333 6.828 -9.779 276 HE2 HIS 38 HE2 HIS 38 1.861 6.504 -7.339 277 H THR 39 H THR 39 6.756 7.505 -7.980 278 HA THR 39 HA THR 39 7.898 6.023 -5.723 279 HB THR 39 HB THR 39 7.723 9.028 -6.086 280 HG1 THR 39 HG1 THR 39 9.034 7.755 -7.673 281 HG21 THR 39 HG21 THR 39 8.024 8.200 -3.760 282 HG22 THR 39 HG22 THR 39 9.404 9.127 -4.353 283 HG23 THR 39 HG23 THR 39 9.490 7.364 -4.288 284 H VAL 40 H VAL 40 6.958 5.989 -3.689 285 HA VAL 40 HA VAL 40 4.311 7.263 -3.371 286 HB VAL 40 HB VAL 40 5.406 4.663 -2.322 287 HG11 VAL 40 HG21 VAL 40 4.466 5.727 -0.396 288 HG12 VAL 40 HG22 VAL 40 3.341 4.489 -0.956 289 HG13 VAL 40 HG23 VAL 40 3.027 6.188 -1.302 290 HG21 VAL 40 HG13 VAL 40 2.716 5.179 -3.522 291 HG22 VAL 40 HG11 VAL 40 3.591 3.652 -3.373 292 HG23 VAL 40 HG12 VAL 40 4.140 4.875 -4.528 293 H VAL 41 H VAL 41 4.148 8.767 -1.791 294 HA VAL 41 HA VAL 41 6.300 9.116 0.132 295 HB VAL 41 HB VAL 41 3.819 10.808 -0.244 296 HG11 VAL 41 HG21 VAL 41 4.780 11.092 1.954 297 HG12 VAL 41 HG22 VAL 41 5.141 12.520 0.985 298 HG13 VAL 41 HG23 VAL 41 6.387 11.305 1.265 299 HG21 VAL 41 HG13 VAL 41 5.135 10.836 -2.275 300 HG22 VAL 41 HG11 VAL 41 6.598 11.186 -1.353 301 HG23 VAL 41 HG12 VAL 41 5.299 12.377 -1.435 302 H LEU 42 H LEU 42 6.186 7.885 1.814 303 HA LEU 42 HA LEU 42 4.058 6.460 2.836 304 HB2 LEU 42 HB2 LEU 42 6.630 7.389 4.031 305 HB3 LEU 42 HB3 LEU 42 5.443 6.565 5.026 306 HG LEU 42 HG LEU 42 7.334 5.163 4.004 307 HD11 LEU 42 HD11 LEU 42 5.258 4.341 5.108 308 HD12 LEU 42 HD12 LEU 42 5.909 3.261 3.883 309 HD13 LEU 42 HD13 LEU 42 4.503 4.262 3.515 310 HD21 LEU 42 HD21 LEU 42 5.569 5.444 1.574 311 HD22 LEU 42 HD22 LEU 42 6.863 4.262 1.769 312 HD23 LEU 42 HD23 LEU 42 7.244 5.985 1.725 313 H SER 43 H SER 43 4.858 9.816 3.442 314 HA SER 43 HA SER 43 3.227 10.004 5.777 315 HB2 SER 43 HB3 SER 43 4.468 12.058 3.990 316 HB3 SER 43 HB2 SER 43 3.398 12.507 5.316 317 HG SER 43 HG SER 43 5.072 12.296 6.539 318 H THR 44 H THR 44 2.718 10.610 2.333 319 HA THR 44 HA THR 44 0.026 11.519 2.687 320 HB THR 44 HB THR 44 -0.245 11.211 0.277 321 HG1 THR 44 HG1 THR 44 2.053 9.638 0.596 322 HG21 THR 44 HG21 THR 44 1.530 12.709 -0.500 323 HG22 THR 44 HG22 THR 44 2.440 12.397 0.978 324 HG23 THR 44 HG23 THR 44 0.887 13.229 1.057 325 H ILE 45 H ILE 45 1.592 8.546 2.825 326 HA ILE 45 HA ILE 45 -0.677 6.880 2.288 327 HB ILE 45 HB ILE 45 1.997 6.267 3.531 328 HG12 ILE 45 HG13 ILE 45 2.170 7.033 1.221 329 HG13 ILE 45 HG12 ILE 45 2.551 5.328 1.339 330 HG21 ILE 45 HG21 ILE 45 0.263 4.667 4.183 331 HG22 ILE 45 HG22 ILE 45 1.494 3.941 3.145 332 HG23 ILE 45 HG23 ILE 45 -0.081 4.368 2.477 333 HD11 ILE 45 HD11 ILE 45 1.232 5.650 -0.624 334 HD12 ILE 45 HD12 ILE 45 0.020 6.563 0.278 335 HD13 ILE 45 HD13 ILE 45 0.212 4.836 0.568 336 H ASP 46 H ASP 46 -2.315 6.800 3.682 337 HA ASP 46 HA ASP 46 -2.078 7.454 6.441 338 HB2 ASP 46 HB2 ASP 46 -4.149 7.771 5.034 339 HB3 ASP 46 HB3 ASP 46 -4.371 6.031 5.094 340 H LYS 47 H LYS 47 -2.257 4.472 4.593 341 HA LYS 47 HA LYS 47 -1.524 2.953 6.973 342 HB2 LYS 47 HB2 LYS 47 -4.095 3.082 6.698 343 HB3 LYS 47 HB3 LYS 47 -3.856 2.041 5.293 344 HG2 LYS 47 HG2 LYS 47 -4.455 0.763 7.286 345 HG3 LYS 47 HG3 LYS 47 -2.854 0.345 6.697 346 HD2 LYS 47 HD2 LYS 47 -2.844 0.514 9.112 347 HD3 LYS 47 HD3 LYS 47 -1.853 1.782 8.405 348 HE2 LYS 47 HE2 LYS 47 -3.183 2.698 10.195 349 HE3 LYS 47 HE3 LYS 47 -3.722 3.342 8.647 350 HZ1 LYS 47 HZ1 LYS 47 -5.635 2.023 8.685 351 HZ2 LYS 47 HZ2 LYS 47 -5.505 2.608 10.264 352 HZ3 LYS 47 HZ3 LYS 47 -5.047 1.016 9.912 353 H LEU 48 H LEU 48 -0.690 0.831 6.433 354 HA LEU 48 HA LEU 48 -0.396 0.376 3.551 355 HB2 LEU 48 HB2 LEU 48 1.806 0.852 4.175 356 HB3 LEU 48 HB3 LEU 48 1.610 0.064 5.737 357 HG LEU 48 HG LEU 48 1.416 -2.118 4.461 358 HD11 LEU 48 HD11 LEU 48 1.086 -0.830 2.262 359 HD12 LEU 48 HD12 LEU 48 2.112 -2.265 2.265 360 HD13 LEU 48 HD13 LEU 48 2.844 -0.664 2.289 361 HD21 LEU 48 HD21 LEU 48 3.630 -0.609 5.319 362 HD22 LEU 48 HD22 LEU 48 4.084 -1.441 3.831 363 HD23 LEU 48 HD23 LEU 48 3.468 -2.364 5.201 364 H GLN 49 H GLN 49 -0.569 -1.674 2.857 365 HA GLN 49 HA GLN 49 -1.633 -3.660 4.743 366 HB2 GLN 49 HB2 GLN 49 -2.511 -3.142 1.909 367 HB3 GLN 49 HB3 GLN 49 -3.072 -4.472 2.906 368 HG2 GLN 49 HG2 GLN 49 -3.501 -1.559 3.522 369 HG3 GLN 49 HG3 GLN 49 -4.695 -2.638 2.803 370 HE21 GLN 49 HE21 GLN 49 -5.628 -4.256 4.082 371 HE22 GLN 49 HE22 GLN 49 -5.563 -4.196 5.808 372 H ALA 50 H ALA 50 -1.310 -5.836 4.089 373 HA ALA 50 HA ALA 50 0.510 -6.517 1.983 374 HB1 ALA 50 HB1 ALA 50 2.092 -5.530 3.597 375 HB2 ALA 50 HB2 ALA 50 2.353 -7.266 3.419 376 HB3 ALA 50 HB3 ALA 50 1.512 -6.646 4.838 377 H THR 51 H THR 51 0.296 -8.669 1.504 378 HA THR 51 HA THR 51 -1.756 -10.289 2.478 379 HB THR 51 HB THR 51 -0.444 -12.207 1.547 380 HG1 THR 51 HG1 THR 51 1.631 -10.983 2.069 381 HG21 THR 51 HG21 THR 51 -0.286 -11.283 -0.809 382 HG22 THR 51 HG22 THR 51 -0.770 -9.730 -0.120 383 HG23 THR 51 HG23 THR 51 -1.852 -11.120 -0.005 384 HA PRO 52 HA PRO 52 -0.320 -11.383 6.537 385 HB2 PRO 52 HB3 PRO 52 -2.225 -13.299 6.930 386 HB3 PRO 52 HB2 PRO 52 -2.557 -11.572 7.057 387 HG2 PRO 52 HG3 PRO 52 -3.008 -13.417 4.748 388 HG3 PRO 52 HG2 PRO 52 -4.102 -12.229 5.445 389 HD2 PRO 52 HD2 PRO 52 -2.725 -11.705 3.237 390 HD3 PRO 52 HD3 PRO 52 -2.985 -10.453 4.458 391 H ALA 53 H ALA 53 0.483 -13.306 7.634 392 HA ALA 53 HA ALA 53 2.013 -15.053 6.038 393 HB1 ALA 53 HB1 ALA 53 1.128 -15.433 8.901 394 HB2 ALA 53 HB2 ALA 53 2.558 -14.543 8.380 395 HB3 ALA 53 HB3 ALA 53 2.451 -16.280 8.098 396 H SER 54 H SER 54 -1.246 -15.124 7.127 397 HA SER 54 HA SER 54 -1.768 -17.887 6.648 398 HB2 SER 54 HB3 SER 54 -3.088 -16.240 8.109 399 HB3 SER 54 HB2 SER 54 -3.802 -15.659 6.610 400 HG SER 54 HG SER 54 -4.059 -18.162 7.865 401 H SER 55 H SER 55 -1.586 -15.047 4.675 402 HA SER 55 HA SER 55 -3.175 -15.939 2.486 403 HB2 SER 55 HB3 SER 55 -2.586 -13.529 2.775 404 HB3 SER 55 HB2 SER 55 -0.893 -13.934 2.528 405 HG SER 55 HG SER 55 -2.967 -13.737 0.694 406 H GLU 56 H GLU 56 -2.508 -16.892 0.534 407 HA GLU 56 HA GLU 56 -0.095 -18.507 0.695 408 HB2 GLU 56 HB2 GLU 56 -1.924 -18.425 -1.650 409 HB3 GLU 56 HB3 GLU 56 -0.931 -19.752 -1.083 410 HG2 GLU 56 HG3 GLU 56 -2.989 -20.469 -0.457 411 HG3 GLU 56 HG2 GLU 56 -2.491 -19.620 0.998 412 H LYS 57 H LYS 57 -0.904 -15.494 -0.252 413 HA LYS 57 HA LYS 57 0.824 -15.453 -2.624 414 HB2 LYS 57 HB2 LYS 57 -1.101 -13.311 -1.824 415 HB3 LYS 57 HB3 LYS 57 -0.438 -13.635 -3.414 416 HG2 LYS 57 HG2 LYS 57 -2.392 -15.391 -1.951 417 HG3 LYS 57 HG3 LYS 57 -2.804 -14.265 -3.241 418 HD2 LYS 57 HD2 LYS 57 -0.928 -16.592 -3.480 419 HD3 LYS 57 HD3 LYS 57 -2.610 -16.613 -3.988 420 HE2 LYS 57 HE2 LYS 57 -2.108 -14.761 -5.552 421 HE3 LYS 57 HE3 LYS 57 -0.419 -14.854 -5.065 422 HZ1 LYS 57 HZ1 LYS 57 -0.292 -17.074 -5.937 423 HZ2 LYS 57 HZ2 LYS 57 -0.874 -16.039 -7.140 424 HZ3 LYS 57 HZ3 LYS 57 -1.936 -17.068 -6.326 425 H MET 58 H MET 58 1.580 -13.012 -2.915 426 HA MET 58 HA MET 58 2.490 -11.860 -0.390 427 HB2 MET 58 HB3 MET 58 4.568 -11.464 -2.251 428 HB3 MET 58 HB2 MET 58 4.648 -12.342 -0.746 429 HG2 MET 58 HG3 MET 58 5.508 -13.622 -2.646 430 HG3 MET 58 HG2 MET 58 4.158 -14.419 -1.862 431 HE1 MET 58 HE1 MET 58 3.780 -16.051 -3.866 432 HE2 MET 58 HE2 MET 58 5.178 -15.361 -4.689 433 HE3 MET 58 HE3 MET 58 3.651 -15.548 -5.550 434 H MET 59 H MET 59 1.632 -9.879 -0.456 435 HA MET 59 HA MET 59 2.064 -8.171 -2.737 436 HB2 MET 59 HB3 MET 59 -0.629 -9.280 -2.105 437 HB3 MET 59 HB2 MET 59 -0.514 -7.637 -2.715 438 HG2 MET 59 HG3 MET 59 -0.681 -8.590 -4.723 439 HG3 MET 59 HG2 MET 59 1.010 -9.030 -4.508 440 HE1 MET 59 HE1 MET 59 -2.695 -10.182 -4.395 441 HE2 MET 59 HE2 MET 59 -2.239 -10.466 -2.715 442 HE3 MET 59 HE3 MET 59 -2.583 -11.830 -3.779 443 H LEU 60 H LEU 60 2.146 -6.075 -2.168 444 HA LEU 60 HA LEU 60 1.142 -5.284 0.504 445 HB2 LEU 60 HB2 LEU 60 3.495 -4.581 -1.061 446 HB3 LEU 60 HB3 LEU 60 2.628 -3.177 -0.483 447 HG LEU 60 HG LEU 60 2.759 -4.325 1.827 448 HD11 LEU 60 HD11 LEU 60 4.759 -5.689 2.127 449 HD12 LEU 60 HD12 LEU 60 4.989 -5.733 0.375 450 HD13 LEU 60 HD13 LEU 60 3.567 -6.498 1.099 451 HD21 LEU 60 HD21 LEU 60 4.976 -3.352 2.176 452 HD22 LEU 60 HD22 LEU 60 3.902 -2.290 1.264 453 HD23 LEU 60 HD23 LEU 60 5.160 -3.205 0.432 454 H ARG 61 H ARG 61 -0.029 -3.303 0.681 455 HA ARG 61 HA ARG 61 -0.581 -1.775 -1.706 456 HB2 ARG 61 HB2 ARG 61 -2.514 -3.312 -1.601 457 HB3 ARG 61 HB3 ARG 61 -2.880 -2.725 0.013 458 HG2 ARG 61 HG2 ARG 61 -3.100 -0.423 -0.983 459 HG3 ARG 61 HG3 ARG 61 -2.986 -1.185 -2.568 460 HD2 ARG 61 HD2 ARG 61 -5.071 -1.805 -0.486 461 HD3 ARG 61 HD3 ARG 61 -5.281 -0.687 -1.823 462 HE ARG 61 HE ARG 61 -5.055 -3.610 -2.039 463 HH11 ARG 61 HH11 ARG 61 -5.743 -0.503 -3.536 464 HH12 ARG 61 HH12 ARG 61 -6.771 -1.171 -4.759 465 HH21 ARG 61 HH21 ARG 61 -6.474 -4.473 -3.641 466 HH22 ARG 61 HH22 ARG 61 -7.171 -3.409 -4.834 467 H LEU 62 H LEU 62 0.011 0.200 -1.233 468 HA LEU 62 HA LEU 62 0.019 1.111 1.536 469 HB2 LEU 62 HB2 LEU 62 1.297 2.155 -0.991 470 HB3 LEU 62 HB3 LEU 62 1.299 3.071 0.487 471 HG LEU 62 HG LEU 62 2.349 0.906 1.498 472 HD11 LEU 62 HD11 LEU 62 3.039 0.598 -1.419 473 HD12 LEU 62 HD12 LEU 62 2.014 -0.486 -0.478 474 HD13 LEU 62 HD13 LEU 62 3.727 -0.332 -0.087 475 HD21 LEU 62 HD21 LEU 62 4.568 1.736 1.012 476 HD22 LEU 62 HD22 LEU 62 3.455 3.075 1.329 477 HD23 LEU 62 HD23 LEU 62 3.920 2.691 -0.328 478 H ILE 63 H ILE 63 -1.694 2.152 2.262 479 HA ILE 63 HA ILE 63 -3.686 3.214 0.431 480 HB ILE 63 HB ILE 63 -3.934 3.467 3.397 481 HG12 ILE 63 HG13 ILE 63 -3.050 1.187 3.078 482 HG13 ILE 63 HG12 ILE 63 -4.709 1.181 3.667 483 HG21 ILE 63 HG21 ILE 63 -5.683 4.331 1.923 484 HG22 ILE 63 HG22 ILE 63 -6.280 3.042 2.966 485 HG23 ILE 63 HG23 ILE 63 -5.928 2.711 1.271 486 HD11 ILE 63 HD11 ILE 63 -3.900 0.771 0.810 487 HD12 ILE 63 HD12 ILE 63 -5.522 0.635 1.488 488 HD13 ILE 63 HD13 ILE 63 -4.271 -0.512 1.960 489 H GLY 64 H GLY 64 -3.836 5.356 -0.058 490 HA2 GLY 64 HA3 GLY 64 -2.184 7.224 1.453 491 HA3 GLY 64 HA2 GLY 64 -3.022 7.565 -0.046 492 H LYS 65 H LYS 65 -3.026 9.197 2.333 493 HA LYS 65 HA LYS 65 -5.445 8.875 3.754 494 HB2 LYS 65 HB2 LYS 65 -3.693 11.264 3.240 495 HB3 LYS 65 HB3 LYS 65 -5.228 11.425 4.074 496 HG2 LYS 65 HG2 LYS 65 -3.894 11.176 5.875 497 HG3 LYS 65 HG3 LYS 65 -4.181 9.484 5.555 498 HD2 LYS 65 HD2 LYS 65 -2.077 9.274 4.442 499 HD3 LYS 65 HD3 LYS 65 -1.823 11.018 4.500 500 HE2 LYS 65 HE2 LYS 65 -2.059 9.250 6.916 501 HE3 LYS 65 HE3 LYS 65 -0.532 9.763 6.212 502 HZ1 LYS 65 HZ1 LYS 65 -1.182 12.062 6.647 503 HZ2 LYS 65 HZ2 LYS 65 -1.124 11.155 8.071 504 HZ3 LYS 65 HZ3 LYS 65 -2.615 11.536 7.372 505 H VAL 66 H VAL 66 -7.465 9.359 3.269 506 HA VAL 66 HA VAL 66 -8.118 10.335 0.640 507 HB VAL 66 HB VAL 66 -9.476 8.591 1.685 508 HG11 VAL 66 HG21 VAL 66 -10.281 10.696 3.679 509 HG12 VAL 66 HG22 VAL 66 -9.282 9.280 4.009 510 HG13 VAL 66 HG23 VAL 66 -10.973 9.078 3.547 511 HG21 VAL 66 HG13 VAL 66 -11.703 9.521 1.254 512 HG22 VAL 66 HG11 VAL 66 -10.538 9.965 0.007 513 HG23 VAL 66 HG12 VAL 66 -11.005 11.142 1.235 514 H ASP 67 H ASP 67 -9.566 12.182 0.357 515 HA ASP 67 HA ASP 67 -8.709 14.357 2.133 516 HB2 ASP 67 HB2 ASP 67 -8.003 14.460 -0.269 517 HB3 ASP 67 HB3 ASP 67 -9.702 14.565 -0.714 518 H GLU 68 H GLU 68 -10.176 15.640 3.098 519 HA GLU 68 HA GLU 68 -12.859 14.589 3.238 520 HB2 GLU 68 HB2 GLU 68 -11.634 16.862 4.764 521 HB3 GLU 68 HB3 GLU 68 -13.141 16.052 5.142 522 HG2 GLU 68 HG3 GLU 68 -10.387 14.850 5.230 523 HG3 GLU 68 HG2 GLU 68 -11.376 15.325 6.604 524 H SER 69 H SER 69 -11.250 17.393 1.940 525 HA SER 69 HA SER 69 -13.713 18.865 1.619 526 HB2 SER 69 HB3 SER 69 -12.217 20.496 0.383 527 HB3 SER 69 HB2 SER 69 -11.822 20.211 2.074 528 HG SER 69 HG SER 69 -10.519 18.436 0.514 529 H LYS 70 H LYS 70 -11.590 16.888 -0.363 530 HA LYS 70 HA LYS 70 -12.944 17.465 -2.815 531 HB2 LYS 70 HB2 LYS 70 -10.888 15.515 -1.951 532 HB3 LYS 70 HB3 LYS 70 -11.687 15.279 -3.486 533 HG2 LYS 70 HG2 LYS 70 -9.616 16.399 -3.843 534 HG3 LYS 70 HG3 LYS 70 -10.924 17.526 -4.172 535 HD2 LYS 70 HD2 LYS 70 -10.506 18.742 -2.213 536 HD3 LYS 70 HD3 LYS 70 -9.551 17.436 -1.508 537 HE2 LYS 70 HE2 LYS 70 -7.836 17.787 -3.233 538 HE3 LYS 70 HE3 LYS 70 -8.774 19.131 -3.878 539 HZ1 LYS 70 HZ1 LYS 70 -8.467 20.328 -1.840 540 HZ2 LYS 70 HZ2 LYS 70 -6.952 19.820 -2.386 541 HZ3 LYS 70 HZ3 LYS 70 -7.705 19.007 -1.110 542 H LYS 71 H LYS 71 -14.914 16.778 -0.989 543 HA LYS 71 HA LYS 71 -15.682 14.092 -1.230 544 HB2 LYS 71 HB2 LYS 71 -17.858 14.805 -0.393 545 HB3 LYS 71 HB3 LYS 71 -16.539 15.430 0.574 546 HG2 LYS 71 HG2 LYS 71 -16.743 17.560 -0.739 547 HG3 LYS 71 HG3 LYS 71 -18.235 16.880 -1.380 548 HD2 LYS 71 HD2 LYS 71 -17.676 17.101 1.547 549 HD3 LYS 71 HD3 LYS 71 -18.482 18.389 0.651 550 HE2 LYS 71 HE2 LYS 71 -19.437 15.546 0.800 551 HE3 LYS 71 HE3 LYS 71 -19.981 16.810 1.890 552 HZ1 LYS 71 HZ1 LYS 71 -21.550 16.514 0.093 553 HZ2 LYS 71 HZ2 LYS 71 -20.340 16.792 -1.058 554 HZ3 LYS 71 HZ3 LYS 71 -20.822 18.035 -0.027 555 H ARG 72 H ARG 72 -16.713 13.049 -2.799 556 HA ARG 72 HA ARG 72 -16.806 14.503 -5.312 557 HB2 ARG 72 HB2 ARG 72 -16.347 12.520 -6.393 558 HB3 ARG 72 HB3 ARG 72 -15.611 12.191 -4.830 559 HG2 ARG 72 HG2 ARG 72 -17.295 10.737 -4.216 560 HG3 ARG 72 HG3 ARG 72 -18.430 11.395 -5.382 561 HD2 ARG 72 HD2 ARG 72 -17.586 9.149 -5.995 562 HD3 ARG 72 HD3 ARG 72 -17.249 10.382 -7.204 563 HE ARG 72 HE ARG 72 -14.951 10.425 -5.993 564 HH11 ARG 72 HH11 ARG 72 -16.922 7.578 -6.565 565 HH12 ARG 72 HH12 ARG 72 -15.561 6.519 -6.744 566 HH21 ARG 72 HH21 ARG 72 -13.158 9.011 -6.225 567 HH22 ARG 72 HH22 ARG 72 -13.429 7.327 -6.547 568 H LYS 73 H LYS 73 -18.441 13.496 -6.916 569 HA LYS 73 HA LYS 73 -21.103 13.696 -5.683 570 HB2 LYS 73 HB2 LYS 73 -20.384 14.737 -8.419 571 HB3 LYS 73 HB3 LYS 73 -21.822 15.081 -7.467 572 HG2 LYS 73 HG2 LYS 73 -19.073 15.893 -6.629 573 HG3 LYS 73 HG3 LYS 73 -20.147 16.935 -7.565 574 HD2 LYS 73 HD2 LYS 73 -21.473 17.350 -5.784 575 HD3 LYS 73 HD3 LYS 73 -21.273 15.718 -5.141 576 HE2 LYS 73 HE2 LYS 73 -20.184 17.185 -3.619 577 HE3 LYS 73 HE3 LYS 73 -18.926 16.349 -4.541 578 HZ1 LYS 73 HZ1 LYS 73 -19.925 19.098 -5.086 579 HZ2 LYS 73 HZ2 LYS 73 -18.708 18.296 -5.943 580 HZ3 LYS 73 HZ3 LYS 73 -18.463 18.716 -4.325 581 H ASP 74 H ASP 74 -22.803 12.584 -6.801 582 HA ASP 74 HA ASP 74 -21.795 10.310 -8.357 583 HB2 ASP 74 HB2 ASP 74 -23.086 9.974 -6.173 584 HB3 ASP 74 HB3 ASP 74 -24.499 10.532 -7.053 585 H ASN 75 H ASN 75 -24.523 9.705 -9.368 586 HA ASN 75 HA ASN 75 -24.151 10.925 -11.865 587 HB2 ASN 75 HB2 ASN 75 -25.208 8.736 -11.531 588 HB3 ASN 75 HB3 ASN 75 -26.618 9.528 -10.835 589 HD21 ASN 75 HD21 ASN 75 -24.801 8.915 -13.717 590 HD22 ASN 75 HD22 ASN 75 -26.015 9.434 -14.831 591 H GLU 76 H GLU 76 -26.184 11.838 -9.159 592 HA GLU 76 HA GLU 76 -27.573 13.845 -10.764 593 HB2 GLU 76 HB2 GLU 76 -27.855 13.039 -7.861 594 HB3 GLU 76 HB3 GLU 76 -28.826 14.275 -8.652 595 HG2 GLU 76 HG3 GLU 76 -28.688 11.438 -9.601 596 HG3 GLU 76 HG2 GLU 76 -29.887 12.005 -8.435 597 H GLY 77 H GLY 77 -24.720 13.522 -9.375 598 HA2 GLY 77 HA3 GLY 77 -23.073 15.014 -8.729 599 HA3 GLY 77 HA2 GLY 77 -24.167 16.319 -9.174 600 H ASN 78 H ASN 78 -25.116 13.848 -6.951 601 HA ASN 78 HA ASN 78 -25.731 15.850 -5.034 602 HB2 ASN 78 HB2 ASN 78 -26.732 14.067 -3.710 603 HB3 ASN 78 HB3 ASN 78 -27.232 13.960 -5.391 604 HD21 ASN 78 HD21 ASN 78 -26.478 12.233 -6.655 605 HD22 ASN 78 HD22 ASN 78 -25.949 10.775 -5.904 606 H GLU 79 H GLU 79 -24.027 12.826 -4.169 607 HA GLU 79 HA GLU 79 -21.478 13.857 -3.909 608 HB2 GLU 79 HB2 GLU 79 -21.231 14.151 -1.477 609 HB3 GLU 79 HB3 GLU 79 -22.259 15.377 -2.201 610 HG2 GLU 79 HG3 GLU 79 -24.218 14.253 -1.359 611 HG3 GLU 79 HG2 GLU 79 -23.204 12.949 -0.742 612 H VAL 80 H VAL 80 -20.096 12.261 -3.567 613 HA VAL 80 HA VAL 80 -20.961 9.925 -1.977 614 HB VAL 80 HB VAL 80 -18.843 9.639 -4.062 615 HG11 VAL 80 HG21 VAL 80 -19.145 7.871 -2.438 616 HG12 VAL 80 HG22 VAL 80 -19.588 7.308 -4.049 617 HG13 VAL 80 HG23 VAL 80 -20.846 7.720 -2.884 618 HG21 VAL 80 HG13 VAL 80 -20.716 10.575 -5.319 619 HG22 VAL 80 HG11 VAL 80 -21.799 9.362 -4.635 620 HG23 VAL 80 HG12 VAL 80 -20.495 8.872 -5.716 621 H VAL 81 H VAL 81 -19.339 9.127 -0.578 622 HA VAL 81 HA VAL 81 -16.957 10.808 -0.435 623 HB VAL 81 HB VAL 81 -18.112 10.661 1.694 624 HG11 VAL 81 HG21 VAL 81 -18.295 8.541 2.927 625 HG12 VAL 81 HG22 VAL 81 -17.725 7.679 1.497 626 HG13 VAL 81 HG23 VAL 81 -19.257 8.548 1.452 627 HG21 VAL 81 HG13 VAL 81 -16.264 9.884 3.102 628 HG22 VAL 81 HG11 VAL 81 -15.694 10.843 1.736 629 HG23 VAL 81 HG12 VAL 81 -15.543 9.086 1.703 630 HA PRO 82 HA PRO 82 -15.155 7.411 -2.731 631 HB2 PRO 82 HB3 PRO 82 -12.836 8.752 -3.169 632 HB3 PRO 82 HB2 PRO 82 -14.261 8.877 -4.191 633 HG2 PRO 82 HG3 PRO 82 -13.301 10.692 -2.051 634 HG3 PRO 82 HG2 PRO 82 -14.034 11.098 -3.600 635 HD2 PRO 82 HD2 PRO 82 -15.374 11.203 -1.301 636 HD3 PRO 82 HD3 PRO 82 -16.145 10.731 -2.810 637 H LYS 83 H LYS 83 -14.024 5.765 -1.997 638 HA LYS 83 HA LYS 83 -12.800 5.795 0.563 639 HB2 LYS 83 HB2 LYS 83 -13.277 3.835 -1.591 640 HB3 LYS 83 HB3 LYS 83 -11.848 3.525 -0.615 641 HG2 LYS 83 HG2 LYS 83 -13.920 2.371 0.160 642 HG3 LYS 83 HG3 LYS 83 -13.135 3.373 1.378 643 HD2 LYS 83 HD2 LYS 83 -15.502 3.721 1.519 644 HD3 LYS 83 HD3 LYS 83 -14.769 5.179 0.857 645 HE2 LYS 83 HE2 LYS 83 -15.394 4.410 -1.410 646 HE3 LYS 83 HE3 LYS 83 -16.203 3.021 -0.686 647 HZ1 LYS 83 HZ1 LYS 83 -17.775 4.777 -1.177 648 HZ2 LYS 83 HZ2 LYS 83 -16.903 5.877 -0.235 649 HZ3 LYS 83 HZ3 LYS 83 -17.667 4.556 0.496 650 HA PRO 84 HA PRO 84 -8.918 7.590 -0.146 651 HB2 PRO 84 HB3 PRO 84 -7.674 5.314 1.271 652 HB3 PRO 84 HB2 PRO 84 -7.593 7.043 1.615 653 HG2 PRO 84 HG3 PRO 84 -9.076 5.301 3.069 654 HG3 PRO 84 HG2 PRO 84 -9.488 7.014 2.878 655 HD2 PRO 84 HD2 PRO 84 -10.770 4.627 1.711 656 HD3 PRO 84 HD3 PRO 84 -11.433 6.249 1.979 657 H GLN 85 H GLN 85 -7.577 7.579 -1.802 658 HA GLN 85 HA GLN 85 -7.309 5.356 -3.523 659 HB2 GLN 85 HB2 GLN 85 -5.613 6.756 -4.702 660 HB3 GLN 85 HB3 GLN 85 -7.161 7.557 -4.478 661 HG2 GLN 85 HG2 GLN 85 -5.760 9.238 -3.883 662 HG3 GLN 85 HG3 GLN 85 -6.007 8.467 -2.318 663 HE21 GLN 85 HE21 GLN 85 -4.099 9.115 -1.450 664 HE22 GLN 85 HE22 GLN 85 -2.561 8.529 -1.971 665 H ARG 86 H ARG 86 -5.672 3.954 -3.774 666 HA ARG 86 HA ARG 86 -3.579 3.996 -1.783 667 HB2 ARG 86 HB2 ARG 86 -4.214 1.643 -1.055 668 HB3 ARG 86 HB3 ARG 86 -5.231 2.956 -0.504 669 HG2 ARG 86 HG2 ARG 86 -6.855 2.418 -2.260 670 HG3 ARG 86 HG3 ARG 86 -5.856 1.036 -2.726 671 HD2 ARG 86 HD2 ARG 86 -6.095 0.093 -0.499 672 HD3 ARG 86 HD3 ARG 86 -6.994 1.494 0.013 673 HE ARG 86 HE ARG 86 -8.433 0.499 -2.091 674 HH11 ARG 86 HH11 ARG 86 -7.307 -0.761 0.975 675 HH12 ARG 86 HH12 ARG 86 -8.586 -1.926 1.127 676 HH21 ARG 86 HH21 ARG 86 -10.146 -1.019 -1.887 677 HH22 ARG 86 HH22 ARG 86 -10.204 -2.063 -0.503 678 H HIS 87 H HIS 87 -1.832 2.755 -2.224 679 HA HIS 87 HA HIS 87 -1.579 2.152 -5.088 680 HB2 HIS 87 HB3 HIS 87 0.480 2.871 -2.996 681 HB3 HIS 87 HB2 HIS 87 0.831 2.620 -4.690 682 HD1 HIS 87 HD1 HIS 87 -0.763 4.366 -6.288 683 HD2 HIS 87 HD2 HIS 87 0.172 5.464 -2.385 684 HE1 HIS 87 HE1 HIS 87 -1.123 6.851 -6.172 685 HE2 HIS 87 HE2 HIS 87 -0.580 7.492 -3.799 686 H MET 88 H MET 88 -1.589 0.034 -5.540 687 HA MET 88 HA MET 88 -0.589 -1.832 -3.508 688 HB2 MET 88 HB3 MET 88 -2.827 -2.424 -4.087 689 HB3 MET 88 HB2 MET 88 -2.495 -2.250 -5.808 690 HG2 MET 88 HG3 MET 88 -0.890 -4.146 -5.616 691 HG3 MET 88 HG2 MET 88 -1.428 -4.371 -3.959 692 HE1 MET 88 HE1 MET 88 -4.833 -5.926 -4.170 693 HE2 MET 88 HE2 MET 88 -4.438 -4.257 -3.759 694 HE3 MET 88 HE3 MET 88 -3.393 -5.566 -3.219 695 H PHE 89 H PHE 89 1.170 -3.085 -3.876 696 HA PHE 89 HA PHE 89 1.944 -3.368 -6.694 697 HB2 PHE 89 HB3 PHE 89 3.774 -3.270 -4.286 698 HB3 PHE 89 HB2 PHE 89 4.280 -3.534 -5.951 699 HD1 PHE 89 HD1 PHE 89 2.709 -1.071 -3.688 700 HD2 PHE 89 HD2 PHE 89 4.679 -1.736 -7.391 701 HE1 PHE 89 HE1 PHE 89 2.915 1.363 -4.010 702 HE2 PHE 89 HE2 PHE 89 4.885 0.691 -7.719 703 HZ PHE 89 HZ PHE 89 4.005 2.244 -6.028 704 H SER 90 H SER 90 2.307 -5.450 -7.367 705 HA SER 90 HA SER 90 1.596 -7.538 -5.465 706 HB2 SER 90 HB3 SER 90 2.017 -7.779 -8.442 707 HB3 SER 90 HB2 SER 90 1.244 -8.949 -7.396 708 HG SER 90 HG SER 90 -0.544 -7.811 -7.413 709 H PHE 91 H PHE 91 3.105 -8.800 -4.576 710 HA PHE 91 HA PHE 91 5.847 -8.518 -5.609 711 HB2 PHE 91 HB3 PHE 91 4.855 -9.272 -2.842 712 HB3 PHE 91 HB2 PHE 91 6.550 -9.142 -3.302 713 HD1 PHE 91 HD1 PHE 91 3.429 -7.074 -3.401 714 HD2 PHE 91 HD2 PHE 91 7.622 -7.182 -2.835 715 HE1 PHE 91 HE1 PHE 91 3.426 -4.681 -2.807 716 HE2 PHE 91 HE2 PHE 91 7.613 -4.808 -2.255 717 HZ PHE 91 HZ PHE 91 5.408 -3.525 -2.363 718 H ASN 92 H ASN 92 7.266 -10.507 -5.079 719 HA ASN 92 HA ASN 92 5.753 -12.856 -6.006 720 HB2 ASN 92 HB2 ASN 92 8.493 -11.847 -6.710 721 HB3 ASN 92 HB3 ASN 92 8.063 -13.534 -6.955 722 HD21 ASN 92 HD21 ASN 92 8.282 -13.389 -9.167 723 HD22 ASN 92 HD22 ASN 92 7.141 -12.561 -10.165 724 H ASN 93 H ASN 93 7.427 -11.652 -3.402 725 HA ASN 93 HA ASN 93 7.924 -14.364 -2.419 726 HB2 ASN 93 HB2 ASN 93 10.039 -13.356 -3.318 727 HB3 ASN 93 HB3 ASN 93 9.883 -12.076 -2.129 728 HD21 ASN 93 HD21 ASN 93 12.039 -13.927 -2.455 729 HD22 ASN 93 HD22 ASN 93 12.175 -14.813 -0.977 730 H ARG 94 H ARG 94 6.986 -14.677 -0.601 731 HA ARG 94 HA ARG 94 5.549 -12.854 0.907 732 HB2 ARG 94 HB2 ARG 94 4.948 -15.064 1.239 733 HB3 ARG 94 HB3 ARG 94 6.605 -15.597 1.381 734 HG2 ARG 94 HG2 ARG 94 5.646 -15.830 3.509 735 HG3 ARG 94 HG3 ARG 94 6.704 -14.420 3.578 736 HD2 ARG 94 HD2 ARG 94 4.763 -12.975 3.228 737 HD3 ARG 94 HD3 ARG 94 3.721 -14.396 3.247 738 HE ARG 94 HE ARG 94 4.812 -14.733 5.571 739 HH11 ARG 94 HH11 ARG 94 3.849 -11.687 4.162 740 HH12 ARG 94 HH12 ARG 94 3.677 -10.887 5.690 741 HH21 ARG 94 HH21 ARG 94 4.598 -13.699 7.576 742 HH22 ARG 94 HH22 ARG 94 4.113 -12.033 7.641 743 H THR 95 H THR 95 8.891 -13.905 1.266 744 HA THR 95 HA THR 95 9.245 -12.687 3.817 745 HB THR 95 HB THR 95 11.289 -13.592 1.783 746 HG1 THR 95 HG1 THR 95 9.961 -14.824 3.967 747 HG21 THR 95 HG21 THR 95 12.892 -13.516 3.609 748 HG22 THR 95 HG22 THR 95 11.642 -12.928 4.707 749 HG23 THR 95 HG23 THR 95 12.177 -11.923 3.359 750 H VAL 96 H VAL 96 10.558 -11.850 0.618 751 HA VAL 96 HA VAL 96 11.615 -9.387 1.042 752 HB VAL 96 HB VAL 96 9.874 -10.192 -1.312 753 HG11 VAL 96 HG21 VAL 96 11.956 -8.005 -1.109 754 HG12 VAL 96 HG22 VAL 96 10.210 -7.757 -1.140 755 HG13 VAL 96 HG23 VAL 96 11.030 -8.439 -2.548 756 HG21 VAL 96 HG13 VAL 96 12.016 -10.740 -2.398 757 HG22 VAL 96 HG11 VAL 96 11.759 -11.710 -0.948 758 HG23 VAL 96 HG12 VAL 96 12.873 -10.344 -0.909 759 H MET 97 H MET 97 8.209 -9.989 0.166 760 HA MET 97 HA MET 97 7.489 -7.267 0.380 761 HB2 MET 97 HB3 MET 97 5.262 -7.972 0.024 762 HB3 MET 97 HB2 MET 97 6.295 -9.043 -0.918 763 HG2 MET 97 HG3 MET 97 5.269 -10.755 0.002 764 HG3 MET 97 HG2 MET 97 5.951 -10.296 1.562 765 HE1 MET 97 HE1 MET 97 4.551 -8.285 3.079 766 HE2 MET 97 HE2 MET 97 4.582 -9.998 3.486 767 HE3 MET 97 HE3 MET 97 3.065 -9.103 3.565 768 H ASP 98 H ASP 98 7.696 -9.862 2.746 769 HA ASP 98 HA ASP 98 6.147 -8.505 4.743 770 HB2 ASP 98 HB2 ASP 98 6.598 -10.966 4.794 771 HB3 ASP 98 HB3 ASP 98 8.283 -10.604 5.172 772 H ASN 99 H ASN 99 9.387 -8.473 3.647 773 HA ASN 99 HA ASN 99 10.477 -6.939 5.823 774 HB2 ASN 99 HB2 ASN 99 11.491 -7.511 3.022 775 HB3 ASN 99 HB3 ASN 99 12.435 -6.718 4.270 776 HD21 ASN 99 HD21 ASN 99 12.662 -9.323 2.770 777 HD22 ASN 99 HD22 ASN 99 12.888 -10.495 4.015 778 H ILE 100 H ILE 100 9.192 -6.379 2.629 779 HA ILE 100 HA ILE 100 9.691 -3.605 2.428 780 HB ILE 100 HB ILE 100 7.533 -5.334 1.188 781 HG12 ILE 100 HG13 ILE 100 9.877 -5.851 0.578 782 HG13 ILE 100 HG12 ILE 100 8.939 -5.260 -0.790 783 HG21 ILE 100 HG21 ILE 100 6.938 -2.892 1.306 784 HG22 ILE 100 HG22 ILE 100 7.032 -3.568 -0.320 785 HG23 ILE 100 HG23 ILE 100 8.350 -2.583 0.300 786 HD11 ILE 100 HD11 ILE 100 11.072 -4.228 -0.867 787 HD12 ILE 100 HD12 ILE 100 10.965 -3.752 0.826 788 HD13 ILE 100 HD13 ILE 100 9.903 -3.001 -0.365 789 H LYS 101 H LYS 101 6.689 -5.344 3.473 790 HA LYS 101 HA LYS 101 5.240 -3.074 4.050 791 HB2 LYS 101 HB2 LYS 101 4.038 -4.643 5.657 792 HB3 LYS 101 HB3 LYS 101 3.983 -5.025 3.949 793 HG2 LYS 101 HG2 LYS 101 5.349 -6.802 4.192 794 HG3 LYS 101 HG3 LYS 101 6.143 -6.129 5.602 795 HD2 LYS 101 HD2 LYS 101 3.294 -6.838 5.908 796 HD3 LYS 101 HD3 LYS 101 4.429 -8.179 5.743 797 HE2 LYS 101 HE2 LYS 101 5.792 -6.901 7.548 798 HE3 LYS 101 HE3 LYS 101 4.265 -6.084 7.874 799 HZ1 LYS 101 HZ1 LYS 101 3.244 -8.262 8.242 800 HZ2 LYS 101 HZ2 LYS 101 4.534 -7.999 9.306 801 HZ3 LYS 101 HZ3 LYS 101 4.738 -9.019 7.966 802 H MET 102 H MET 102 7.473 -4.982 6.067 803 HA MET 102 HA MET 102 6.794 -3.660 8.490 804 HB2 MET 102 HB3 MET 102 8.537 -4.894 9.515 805 HB3 MET 102 HB2 MET 102 7.861 -5.953 8.291 806 HG2 MET 102 HG3 MET 102 10.099 -6.296 8.026 807 HG3 MET 102 HG2 MET 102 9.782 -5.070 6.808 808 HE1 MET 102 HE1 MET 102 10.118 -4.607 10.736 809 HE2 MET 102 HE2 MET 102 11.852 -4.316 10.858 810 HE3 MET 102 HE3 MET 102 11.255 -5.877 10.296 811 H THR 103 H THR 103 8.965 -3.033 5.900 812 HA THR 103 HA THR 103 10.567 -1.055 7.107 813 HB THR 103 HB THR 103 9.697 -1.490 4.246 814 HG1 THR 103 HG1 THR 103 11.092 -3.094 5.139 815 HG21 THR 103 HG21 THR 103 10.242 0.848 4.571 816 HG22 THR 103 HG22 THR 103 11.465 0.026 3.588 817 HG23 THR 103 HG23 THR 103 11.794 0.394 5.282 818 H LEU 104 H LEU 104 7.602 -0.913 5.183 819 HA LEU 104 HA LEU 104 7.382 1.916 5.333 820 HB2 LEU 104 HB2 LEU 104 5.270 -0.120 4.624 821 HB3 LEU 104 HB3 LEU 104 5.204 1.590 4.289 822 HG LEU 104 HG LEU 104 7.419 -0.049 3.128 823 HD11 LEU 104 HD11 LEU 104 4.615 0.150 2.103 824 HD12 LEU 104 HD12 LEU 104 5.523 -1.312 2.490 825 HD13 LEU 104 HD13 LEU 104 5.993 -0.321 1.111 826 HD21 LEU 104 HD21 LEU 104 7.282 1.614 1.361 827 HD22 LEU 104 HD22 LEU 104 7.533 2.362 2.937 828 HD23 LEU 104 HD23 LEU 104 5.927 2.370 2.204 829 H GLN 105 H GLN 105 5.375 -0.658 6.714 830 HA GLN 105 HA GLN 105 3.660 0.693 8.283 831 HB2 GLN 105 HB2 GLN 105 5.147 -1.755 9.149 832 HB3 GLN 105 HB3 GLN 105 3.648 -1.166 9.857 833 HG2 GLN 105 HG2 GLN 105 3.942 -1.888 6.974 834 HG3 GLN 105 HG3 GLN 105 3.442 -3.007 8.209 835 HE21 GLN 105 HE21 GLN 105 1.547 -3.305 7.036 836 HE22 GLN 105 HE22 GLN 105 0.250 -2.166 7.103 837 H GLN 106 H GLN 106 7.070 0.253 8.992 838 HA GLN 106 HA GLN 106 6.976 1.142 11.672 839 HB2 GLN 106 HB2 GLN 106 9.069 0.795 9.603 840 HB3 GLN 106 HB3 GLN 106 9.455 1.715 11.030 841 HG2 GLN 106 HG2 GLN 106 8.808 -0.222 12.414 842 HG3 GLN 106 HG3 GLN 106 8.523 -1.136 10.932 843 HE21 GLN 106 HE21 GLN 106 10.258 -1.810 9.699 844 HE22 GLN 106 HE22 GLN 106 11.884 -1.786 10.298 845 H ILE 107 H ILE 107 7.686 2.635 8.601 846 HA ILE 107 HA ILE 107 8.160 5.291 9.437 847 HB ILE 107 HB ILE 107 7.008 4.236 6.840 848 HG12 ILE 107 HG13 ILE 107 9.882 4.934 7.399 849 HG13 ILE 107 HG12 ILE 107 9.257 3.305 7.586 850 HG21 ILE 107 HG21 ILE 107 8.384 6.851 7.398 851 HG22 ILE 107 HG22 ILE 107 6.647 6.622 7.186 852 HG23 ILE 107 HG23 ILE 107 7.744 6.298 5.851 853 HD11 ILE 107 HD11 ILE 107 9.301 4.916 5.047 854 HD12 ILE 107 HD12 ILE 107 8.652 3.287 5.220 855 HD13 ILE 107 HD13 ILE 107 10.373 3.578 5.459 856 H ILE 108 H ILE 108 5.259 3.566 8.394 857 HA ILE 108 HA ILE 108 3.533 5.798 8.302 858 HB ILE 108 HB ILE 108 2.678 2.986 8.988 859 HG12 ILE 108 HG13 ILE 108 4.195 3.929 6.716 860 HG13 ILE 108 HG12 ILE 108 3.804 2.288 7.167 861 HG21 ILE 108 HG21 ILE 108 1.388 5.224 7.435 862 HG22 ILE 108 HG22 ILE 108 0.887 4.577 8.999 863 HG23 ILE 108 HG23 ILE 108 0.741 3.587 7.547 864 HD11 ILE 108 HD11 ILE 108 1.531 2.740 6.080 865 HD12 ILE 108 HD12 ILE 108 2.943 2.527 5.044 866 HD13 ILE 108 HD13 ILE 108 2.323 4.151 5.364 867 H SER 109 H SER 109 3.825 3.279 10.808 868 HA SER 109 HA SER 109 2.385 4.483 12.841 869 HB2 SER 109 HB3 SER 109 4.937 2.895 13.184 870 HB3 SER 109 HB2 SER 109 3.636 3.078 14.363 871 HG SER 109 HG SER 109 3.711 1.570 11.990 872 H ARG 110 H ARG 110 5.594 5.162 11.688 873 HA ARG 110 HA ARG 110 6.480 6.744 13.871 874 HB2 ARG 110 HB2 ARG 110 7.400 6.173 11.114 875 HB3 ARG 110 HB3 ARG 110 8.101 7.547 11.911 876 HG2 ARG 110 HG2 ARG 110 8.936 6.121 13.661 877 HG3 ARG 110 HG3 ARG 110 8.073 4.751 12.951 878 HD2 ARG 110 HD2 ARG 110 9.380 5.067 10.878 879 HD3 ARG 110 HD3 ARG 110 10.311 6.307 11.695 880 HE ARG 110 HE ARG 110 10.580 4.153 13.320 881 HH11 ARG 110 HH11 ARG 110 11.124 4.710 9.912 882 HH12 ARG 110 HH12 ARG 110 12.335 3.480 9.768 883 HH21 ARG 110 HH21 ARG 110 12.156 2.519 13.141 884 HH22 ARG 110 HH22 ARG 110 12.924 2.225 11.613 885 H TYR 111 H TYR 111 4.583 7.330 11.030 886 HA TYR 111 HA TYR 111 4.885 10.199 11.372 887 HB2 TYR 111 HB3 TYR 111 4.045 8.475 9.137 888 HB3 TYR 111 HB2 TYR 111 3.278 10.055 9.242 889 HD1 TYR 111 HD2 TYR 111 4.899 12.089 9.575 890 HD2 TYR 111 HD1 TYR 111 6.100 8.284 8.157 891 HE1 TYR 111 HE2 TYR 111 6.929 13.101 8.615 892 HE2 TYR 111 HE1 TYR 111 8.142 9.266 7.191 893 HH TYR 111 HH TYR 111 9.198 12.403 7.943 894 H LYS 112 H LYS 112 2.629 7.647 11.902 895 HA LYS 112 HA LYS 112 0.345 9.309 12.312 896 HB2 LYS 112 HB2 LYS 112 0.992 6.513 13.275 897 HB3 LYS 112 HB3 LYS 112 -0.558 7.309 13.529 898 HG2 LYS 112 HG2 LYS 112 -1.209 6.988 11.411 899 HG3 LYS 112 HG3 LYS 112 0.409 7.285 10.763 900 HD2 LYS 112 HD2 LYS 112 -0.212 4.972 10.399 901 HD3 LYS 112 HD3 LYS 112 1.110 5.079 11.546 902 HE2 LYS 112 HE2 LYS 112 -0.530 3.450 12.257 903 HE3 LYS 112 HE3 LYS 112 -0.428 4.782 13.395 904 HZ1 LYS 112 HZ1 LYS 112 -2.440 5.706 12.497 905 HZ2 LYS 112 HZ2 LYS 112 -2.727 4.103 12.935 906 HZ3 LYS 112 HZ3 LYS 112 -2.525 4.509 11.310 907 H ASP 113 H ASP 113 3.067 8.354 14.227 908 HA ASP 113 HA ASP 113 2.042 9.246 16.729 909 HB2 ASP 113 HB2 ASP 113 3.948 7.697 16.573 910 HB3 ASP 113 HB3 ASP 113 4.907 8.954 15.799 911 H ALA 114 H ALA 114 3.095 10.825 13.932 912 HA ALA 114 HA ALA 114 3.395 13.364 15.405 913 HB1 ALA 114 HB1 ALA 114 5.527 12.635 14.450 914 HB2 ALA 114 HB2 ALA 114 4.948 14.115 13.687 915 HB3 ALA 114 HB3 ALA 114 4.788 12.572 12.849 916 H ASP 115 H ASP 115 1.033 12.009 14.131 917 HA ASP 115 HA ASP 115 0.320 14.156 12.241 918 HB2 ASP 115 HB2 ASP 115 0.414 11.910 11.185 919 HB3 ASP 115 HB3 ASP 115 -0.793 11.340 12.328 920 H1 GLY 242 H1 GLY 242 -18.638 -13.444 19.197 921 H2 GLY 242 H2 GLY 242 -19.892 -12.708 18.335 922 H3 GLY 242 H3 GLY 242 -19.467 -14.309 18.006 923 HA2 GLY 242 HA2 GLY 242 -20.159 -14.969 20.235 924 HA3 GLY 242 HA3 GLY 242 -20.653 -13.308 20.532 925 H GLY 243 H GLY 243 -21.853 -12.660 18.125 926 HA2 GLY 243 HA3 GLY 243 -23.935 -14.707 17.764 927 HA3 GLY 243 HA2 GLY 243 -24.397 -13.057 18.163 928 H GLY 244 H GLY 244 -24.799 -11.732 16.525 929 HA2 GLY 244 HA3 GLY 244 -24.733 -10.778 14.438 930 HA3 GLY 244 HA2 GLY 244 -23.267 -11.698 14.127 931 H GLY 245 H GLY 245 -23.374 -13.256 12.667 932 HA2 GLY 245 HA3 GLY 245 -24.510 -15.221 11.788 933 HA3 GLY 245 HA2 GLY 245 -26.029 -14.359 12.002 934 H TYR 246 H TYR 246 -26.651 -12.807 10.515 935 HA TYR 246 HA TYR 246 -25.293 -13.044 7.936 936 HB2 TYR 246 HB3 TYR 246 -27.986 -11.793 8.505 937 HB3 TYR 246 HB2 TYR 246 -27.348 -12.287 6.939 938 HD1 TYR 246 HD2 TYR 246 -26.720 -14.847 6.765 939 HD2 TYR 246 HD1 TYR 246 -29.430 -13.217 9.609 940 HE1 TYR 246 HE2 TYR 246 -27.732 -17.067 7.065 941 HE2 TYR 246 HE1 TYR 246 -30.446 -15.433 9.920 942 HH TYR 246 HH TYR 246 -29.017 -18.266 8.894 943 H ASP 247 H ASP 247 -25.533 -10.959 10.538 944 HA ASP 247 HA ASP 247 -24.799 -8.631 8.907 945 HB2 ASP 247 HB2 ASP 247 -25.342 -7.237 10.790 946 HB3 ASP 247 HB3 ASP 247 -26.679 -8.353 10.548 947 H VAL 248 H VAL 248 -23.005 -7.373 9.524 948 HA VAL 248 HA VAL 248 -20.777 -7.152 9.795 949 HB VAL 248 HB VAL 248 -21.728 -6.726 12.092 950 HG11 VAL 248 HG21 VAL 248 -21.103 -8.261 13.900 951 HG12 VAL 248 HG22 VAL 248 -20.580 -9.442 12.700 952 HG13 VAL 248 HG23 VAL 248 -22.277 -8.968 12.791 953 HG21 VAL 248 HG13 VAL 248 -19.523 -6.580 13.153 954 HG22 VAL 248 HG11 VAL 248 -19.499 -6.026 11.480 955 HG23 VAL 248 HG12 VAL 248 -18.860 -7.617 11.892 956 H GLU 249 H GLU 249 -21.499 -9.597 8.512 957 HA GLU 249 HA GLU 249 -19.742 -11.647 9.527 958 HB2 GLU 249 HB2 GLU 249 -20.484 -12.994 7.718 959 HB3 GLU 249 HB3 GLU 249 -21.892 -12.099 8.269 960 HG2 GLU 249 HG3 GLU 249 -21.391 -10.449 6.415 961 HG3 GLU 249 HG2 GLU 249 -20.249 -11.642 5.803 962 H MET 250 H MET 250 -18.060 -12.603 7.967 963 HA MET 250 HA MET 250 -16.614 -10.448 6.612 964 HB2 MET 250 HB3 MET 250 -15.460 -12.080 8.885 965 HB3 MET 250 HB2 MET 250 -14.533 -11.004 7.849 966 HG2 MET 250 HG3 MET 250 -16.751 -10.204 9.719 967 HG3 MET 250 HG2 MET 250 -15.023 -9.949 9.965 968 HE1 MET 250 HE1 MET 250 -16.589 -6.366 9.310 969 HE2 MET 250 HE2 MET 250 -15.708 -7.363 10.469 970 HE3 MET 250 HE3 MET 250 -17.390 -7.732 10.086 971 H GLU 251 H GLU 251 -17.907 -12.480 5.423 972 HA GLU 251 HA GLU 251 -16.438 -14.826 5.045 973 HB2 GLU 251 HB2 GLU 251 -17.932 -15.214 3.198 974 HB3 GLU 251 HB3 GLU 251 -18.825 -14.531 4.549 975 HG2 GLU 251 HG3 GLU 251 -19.005 -12.435 3.502 976 HG3 GLU 251 HG2 GLU 251 -17.803 -12.860 2.286 977 H SER 252 H SER 252 -14.884 -15.395 3.653 978 HA SER 252 HA SER 252 -13.007 -15.173 2.427 979 HB2 SER 252 HB3 SER 252 -13.261 -14.121 0.209 980 HB3 SER 252 HB2 SER 252 -14.600 -15.183 0.608 981 HG SER 252 HG SER 252 -15.207 -12.730 1.444 982 H GLU 253 H GLU 253 -12.998 -13.597 4.617 983 HA GLU 253 HA GLU 253 -12.350 -10.885 4.166 984 HB2 GLU 253 HB2 GLU 253 -13.054 -11.731 6.357 985 HB3 GLU 253 HB3 GLU 253 -11.582 -12.689 6.463 986 HG2 GLU 253 HG3 GLU 253 -10.277 -10.591 6.360 987 HG3 GLU 253 HG2 GLU 253 -11.789 -9.691 6.422 988 H GLU 254 H GLU 254 -10.297 -13.701 4.828 989 HA GLU 254 HA GLU 254 -7.868 -12.264 4.437 990 HB2 GLU 254 HB2 GLU 254 -6.764 -14.440 4.589 991 HB3 GLU 254 HB3 GLU 254 -7.956 -14.258 5.865 992 HG2 GLU 254 HG3 GLU 254 -8.453 -15.764 3.311 993 HG3 GLU 254 HG2 GLU 254 -7.862 -16.504 4.795 994 H GLU 255 H GLU 255 -10.072 -13.947 2.383 995 HA GLU 255 HA GLU 255 -8.350 -14.264 0.153 996 HB2 GLU 255 HB2 GLU 255 -11.351 -14.012 0.288 997 HB3 GLU 255 HB3 GLU 255 -10.456 -14.476 -1.149 998 HG2 GLU 255 HG3 GLU 255 -10.414 -15.997 1.445 999 HG3 GLU 255 HG2 GLU 255 -11.458 -16.377 0.078 1000 H SER 256 H SER 256 -11.022 -11.926 0.631 1001 HA SER 256 HA SER 256 -9.536 -9.633 0.132 1002 HB2 SER 256 HB3 SER 256 -9.393 -10.813 -2.141 1003 HB3 SER 256 HB2 SER 256 -11.083 -10.363 -2.342 1004 HG SER 256 HG SER 256 -8.818 -8.677 -2.057 1005 H ASP 257 H ASP 257 -11.165 -9.583 1.965 1006 HA ASP 257 HA ASP 257 -13.851 -8.815 1.234 1007 HB2 ASP 257 HB2 ASP 257 -13.609 -9.753 3.418 1008 HB3 ASP 257 HB3 ASP 257 -12.311 -8.640 3.832 1009 H ASP 258 H ASP 258 -11.329 -6.967 2.935 1010 HA ASP 258 HA ASP 258 -12.105 -4.529 1.576 1011 HB2 ASP 258 HB2 ASP 258 -11.391 -4.361 3.897 1012 HB3 ASP 258 HB3 ASP 258 -9.864 -5.145 3.518 1013 H ASP 259 H ASP 259 -9.485 -6.843 1.630 1014 HA ASP 259 HA ASP 259 -8.845 -6.437 -1.102 1015 HB2 ASP 259 HB2 ASP 259 -7.781 -4.419 -0.001 1016 HB3 ASP 259 HB3 ASP 259 -6.681 -5.542 0.796 1017 H GLY 260 H GLY 260 -8.165 -7.905 1.988 1018 HA2 GLY 260 HA3 GLY 260 -7.902 -10.300 2.067 1019 HA3 GLY 260 HA2 GLY 260 -7.069 -10.206 0.520 1020 H PHE 261 H PHE 261 -5.923 -7.684 2.148 1021 HA PHE 261 HA PHE 261 -3.576 -9.131 3.068 1022 HB2 PHE 261 HB3 PHE 261 -3.998 -6.154 2.748 1023 HB3 PHE 261 HB2 PHE 261 -2.467 -6.962 3.051 1024 HD1 PHE 261 HD2 PHE 261 -3.956 -9.112 0.861 1025 HD2 PHE 261 HD1 PHE 261 -2.350 -5.171 0.957 1026 HE1 PHE 261 HE2 PHE 261 -3.587 -9.204 -1.567 1027 HE2 PHE 261 HE1 PHE 261 -1.974 -5.265 -1.469 1028 HZ PHE 261 HZ PHE 261 -2.604 -7.272 -2.737 1029 H VAL 262 H VAL 262 -2.529 -7.955 5.067 1030 HA VAL 262 HA VAL 262 -4.665 -7.411 7.020 1031 HB VAL 262 HB VAL 262 -3.621 -9.637 7.379 1032 HG11 VAL 262 HG21 VAL 262 -1.112 -8.049 7.890 1033 HG12 VAL 262 HG22 VAL 262 -1.384 -9.187 6.571 1034 HG13 VAL 262 HG23 VAL 262 -1.325 -9.764 8.237 1035 HG21 VAL 262 HG13 VAL 262 -4.598 -8.480 9.256 1036 HG22 VAL 262 HG11 VAL 262 -3.102 -7.585 9.522 1037 HG23 VAL 262 HG12 VAL 262 -3.144 -9.329 9.778 1038 H GLU 263 H GLU 263 -4.399 -5.680 8.328 1039 HA GLU 263 HA GLU 263 -2.306 -3.803 7.770 1040 HB2 GLU 263 HB2 GLU 263 -4.604 -3.098 8.401 1041 HB3 GLU 263 HB3 GLU 263 -4.358 -3.794 9.998 1042 HG2 GLU 263 HG3 GLU 263 -2.435 -2.235 10.296 1043 HG3 GLU 263 HG2 GLU 263 -2.898 -1.469 8.778 1044 H VAL 264 H VAL 264 -0.352 -3.808 8.675 1045 HA VAL 264 HA VAL 264 0.085 -5.549 10.991 1046 HB VAL 264 HB VAL 264 2.202 -4.268 9.266 1047 HG11 VAL 264 HG21 VAL 264 2.244 -6.694 11.062 1048 HG12 VAL 264 HG22 VAL 264 2.949 -5.120 11.430 1049 HG13 VAL 264 HG23 VAL 264 3.599 -6.091 10.110 1050 HG21 VAL 264 HG13 VAL 264 2.297 -6.416 8.041 1051 HG22 VAL 264 HG11 VAL 264 0.772 -5.561 7.802 1052 HG23 VAL 264 HG12 VAL 264 0.848 -6.939 8.898 1053 H ASP 265 H ASP 265 -0.256 -4.441 12.806 1054 HA ASP 265 HA ASP 265 1.002 -1.795 13.090 1055 HB2 ASP 265 HB2 ASP 265 -1.476 -1.669 12.927 1056 HB3 ASP 265 HB3 ASP 265 -1.602 -2.708 14.329 Start of MODEL 11 1 H2 PRO 1 H2 PRO 1 17.890 -7.376 0.948 2 H3 PRO 1 H3 PRO 1 16.783 -8.456 1.470 3 HA PRO 1 HA PRO 1 16.491 -6.162 -0.102 4 HB2 PRO 1 HB3 PRO 1 14.350 -7.839 -0.935 5 HB3 PRO 1 HB2 PRO 1 15.585 -7.073 -1.946 6 HG2 PRO 1 HG3 PRO 1 15.501 -9.814 -0.819 7 HG3 PRO 1 HG2 PRO 1 16.266 -9.228 -2.307 8 HD2 PRO 1 HD2 PRO 1 17.747 -9.879 -0.187 9 HD3 PRO 1 HD3 PRO 1 18.166 -8.474 -1.181 10 H SER 2 H SER 2 15.940 -5.261 1.873 11 HA SER 2 HA SER 2 13.431 -6.266 3.026 12 HB2 SER 2 HB3 SER 2 14.282 -5.163 5.180 13 HB3 SER 2 HB2 SER 2 15.068 -6.656 4.685 14 HG SER 2 HG SER 2 16.500 -4.889 5.318 15 H HIS 3 H HIS 3 15.425 -3.351 2.642 16 HA HIS 3 HA HIS 3 13.052 -1.654 2.805 17 HB2 HIS 3 HB3 HIS 3 15.967 -0.927 2.361 18 HB3 HIS 3 HB2 HIS 3 14.661 0.220 2.612 19 HD1 HIS 3 HD1 HIS 3 16.792 -2.274 4.439 20 HD2 HIS 3 HD2 HIS 3 13.911 0.610 5.250 21 HE1 HIS 3 HE1 HIS 3 16.824 -1.968 6.935 22 HE2 HIS 3 HE2 HIS 3 14.959 -0.346 7.412 23 H SER 4 H SER 4 13.868 -3.594 0.630 24 HA SER 4 HA SER 4 13.043 -2.076 -1.645 25 HB2 SER 4 HB3 SER 4 15.065 -2.395 -2.992 26 HB3 SER 4 HB2 SER 4 15.431 -1.432 -1.563 27 HG SER 4 HG SER 4 16.259 -3.987 -2.253 28 H GLY 5 H GLY 5 12.613 -3.511 -3.456 29 HA2 GLY 5 HA3 GLY 5 13.216 -6.231 -3.576 30 HA3 GLY 5 HA2 GLY 5 11.716 -6.077 -2.665 31 H ALA 6 H ALA 6 12.247 -7.230 -5.372 32 HA ALA 6 HA ALA 6 11.211 -5.345 -7.255 33 HB1 ALA 6 HB1 ALA 6 11.459 -8.322 -7.634 34 HB2 ALA 6 HB2 ALA 6 12.785 -7.178 -7.844 35 HB3 ALA 6 HB3 ALA 6 11.363 -7.075 -8.881 36 H ALA 7 H ALA 7 9.115 -4.921 -7.712 37 HA ALA 7 HA ALA 7 7.053 -6.890 -6.988 38 HB1 ALA 7 HB1 ALA 7 6.927 -3.949 -6.335 39 HB2 ALA 7 HB2 ALA 7 7.101 -5.267 -5.177 40 HB3 ALA 7 HB3 ALA 7 5.612 -5.105 -6.113 41 H ILE 8 H ILE 8 5.041 -6.579 -8.069 42 HA ILE 8 HA ILE 8 5.323 -5.444 -10.762 43 HB ILE 8 HB ILE 8 3.332 -7.383 -9.561 44 HG12 ILE 8 HG13 ILE 8 4.148 -8.892 -11.379 45 HG13 ILE 8 HG12 ILE 8 5.370 -7.699 -11.773 46 HG21 ILE 8 HG21 ILE 8 2.219 -7.472 -11.712 47 HG22 ILE 8 HG22 ILE 8 3.313 -6.241 -12.342 48 HG23 ILE 8 HG23 ILE 8 2.181 -5.834 -11.053 49 HD11 ILE 8 HD11 ILE 8 5.104 -9.175 -9.170 50 HD12 ILE 8 HD12 ILE 8 6.342 -7.979 -9.554 51 HD13 ILE 8 HD13 ILE 8 6.279 -9.502 -10.444 52 H PHE 9 H PHE 9 4.337 -3.639 -11.297 53 HA PHE 9 HA PHE 9 1.985 -2.808 -9.787 54 HB2 PHE 9 HB3 PHE 9 3.821 -1.608 -8.765 55 HB3 PHE 9 HB2 PHE 9 4.422 -1.111 -10.337 56 HD1 PHE 9 HD1 PHE 9 1.747 -0.610 -7.856 57 HD2 PHE 9 HD2 PHE 9 3.567 0.798 -11.432 58 HE1 PHE 9 HE1 PHE 9 0.508 1.503 -7.657 59 HE2 PHE 9 HE2 PHE 9 2.318 2.904 -11.245 60 HZ PHE 9 HZ PHE 9 0.787 3.261 -9.352 61 H GLU 10 H GLU 10 0.400 -2.511 -11.177 62 HA GLU 10 HA GLU 10 -0.792 -2.124 -13.049 63 HB2 GLU 10 HB2 GLU 10 1.612 -0.524 -13.947 64 HB3 GLU 10 HB3 GLU 10 0.037 -0.526 -14.727 65 HG2 GLU 10 HG3 GLU 10 -0.974 0.392 -12.726 66 HG3 GLU 10 HG2 GLU 10 0.589 0.361 -11.918 67 H LYS 11 H LYS 11 0.579 -4.450 -12.788 68 HA LYS 11 HA LYS 11 0.627 -6.365 -13.980 69 HB2 LYS 11 HB2 LYS 11 0.285 -4.730 -16.480 70 HB3 LYS 11 HB3 LYS 11 0.009 -6.460 -16.297 71 HG2 LYS 11 HG2 LYS 11 -1.498 -4.336 -14.834 72 HG3 LYS 11 HG3 LYS 11 -2.071 -5.125 -16.291 73 HD2 LYS 11 HD2 LYS 11 -2.474 -7.073 -15.204 74 HD3 LYS 11 HD3 LYS 11 -1.266 -6.772 -13.973 75 HE2 LYS 11 HE2 LYS 11 -2.738 -4.943 -13.135 76 HE3 LYS 11 HE3 LYS 11 -3.978 -5.517 -14.247 77 HZ1 LYS 11 HZ1 LYS 11 -4.329 -6.451 -12.069 78 HZ2 LYS 11 HZ2 LYS 11 -2.759 -7.076 -12.034 79 HZ3 LYS 11 HZ3 LYS 11 -3.882 -7.683 -13.137 80 H VAL 12 H VAL 12 2.833 -3.881 -14.367 81 HA VAL 12 HA VAL 12 4.704 -5.584 -15.837 82 HB VAL 12 HB VAL 12 4.883 -3.505 -16.842 83 HG11 VAL 12 HG21 VAL 12 4.653 -2.208 -14.133 84 HG12 VAL 12 HG22 VAL 12 3.389 -2.293 -15.361 85 HG13 VAL 12 HG23 VAL 12 4.852 -1.355 -15.668 86 HG21 VAL 12 HG13 VAL 12 6.965 -2.412 -15.987 87 HG22 VAL 12 HG11 VAL 12 7.098 -4.157 -16.218 88 HG23 VAL 12 HG12 VAL 12 6.889 -3.497 -14.593 89 H SER 13 H SER 13 6.355 -6.560 -14.873 90 HA SER 13 HA SER 13 6.626 -6.401 -12.023 91 HB2 SER 13 HB3 SER 13 6.907 -8.540 -13.295 92 HB3 SER 13 HB2 SER 13 8.385 -7.878 -13.993 93 HG SER 13 HG SER 13 9.013 -9.039 -12.231 94 H GLY 14 H GLY 14 7.873 -5.090 -10.943 95 HA2 GLY 14 HA3 GLY 14 10.233 -3.945 -12.228 96 HA3 GLY 14 HA2 GLY 14 9.033 -2.874 -11.528 97 H ILE 15 H ILE 15 10.608 -2.062 -10.096 98 HA ILE 15 HA ILE 15 11.246 -3.873 -7.900 99 HB ILE 15 HB ILE 15 13.033 -1.622 -8.689 100 HG12 ILE 15 HG13 ILE 15 12.817 -3.236 -10.572 101 HG13 ILE 15 HG12 ILE 15 14.426 -3.133 -9.905 102 HG21 ILE 15 HG21 ILE 15 13.297 -2.476 -6.435 103 HG22 ILE 15 HG22 ILE 15 14.705 -2.868 -7.420 104 HG23 ILE 15 HG23 ILE 15 13.505 -4.108 -7.070 105 HD11 ILE 15 HD11 ILE 15 12.451 -5.303 -9.342 106 HD12 ILE 15 HD12 ILE 15 14.114 -5.223 -8.760 107 HD13 ILE 15 HD13 ILE 15 13.789 -5.396 -10.488 108 H ILE 16 H ILE 16 11.444 -2.920 -5.851 109 HA ILE 16 HA ILE 16 10.161 -0.290 -5.578 110 HB ILE 16 HB ILE 16 9.157 -2.842 -4.741 111 HG12 ILE 16 HG13 ILE 16 8.110 -0.054 -4.268 112 HG13 ILE 16 HG12 ILE 16 7.951 -0.930 -5.785 113 HG21 ILE 16 HG21 ILE 16 8.593 -2.320 -2.403 114 HG22 ILE 16 HG22 ILE 16 9.619 -0.887 -2.481 115 HG23 ILE 16 HG23 ILE 16 10.333 -2.492 -2.634 116 HD11 ILE 16 HD11 ILE 16 6.813 -1.768 -3.136 117 HD12 ILE 16 HD12 ILE 16 6.648 -2.645 -4.655 118 HD13 ILE 16 HD13 ILE 16 5.917 -1.051 -4.475 119 H ALA 17 H ALA 17 11.196 1.059 -4.247 120 HA ALA 17 HA ALA 17 13.044 -0.073 -2.275 121 HB1 ALA 17 HB1 ALA 17 14.709 1.661 -2.857 122 HB2 ALA 17 HB2 ALA 17 13.715 2.093 -4.255 123 HB3 ALA 17 HB3 ALA 17 14.424 0.476 -4.131 124 H ILE 18 H ILE 18 12.219 0.554 -0.392 125 HA ILE 18 HA ILE 18 11.079 3.176 0.009 126 HB ILE 18 HB ILE 18 11.820 1.235 2.183 127 HG12 ILE 18 HG13 ILE 18 9.187 0.845 2.011 128 HG13 ILE 18 HG12 ILE 18 9.498 1.204 0.316 129 HG21 ILE 18 HG21 ILE 18 10.153 2.453 3.473 130 HG22 ILE 18 HG22 ILE 18 9.782 3.461 2.075 131 HG23 ILE 18 HG23 ILE 18 11.373 3.571 2.838 132 HD11 ILE 18 HD11 ILE 18 11.056 -0.606 0.170 133 HD12 ILE 18 HD12 ILE 18 9.529 -1.186 0.822 134 HD13 ILE 18 HD13 ILE 18 10.899 -0.926 1.895 135 H ASN 19 H ASN 19 12.366 4.889 0.454 136 HA ASN 19 HA ASN 19 14.934 4.380 1.802 137 HB2 ASN 19 HB2 ASN 19 15.656 4.886 -0.353 138 HB3 ASN 19 HB3 ASN 19 14.321 5.997 -0.642 139 HD21 ASN 19 HD21 ASN 19 14.499 8.105 -0.036 140 HD22 ASN 19 HD22 ASN 19 15.986 8.821 0.490 141 H GLU 20 H GLU 20 14.984 5.379 3.782 142 HA GLU 20 HA GLU 20 13.687 8.016 3.750 143 HB2 GLU 20 HB2 GLU 20 14.889 6.655 6.166 144 HB3 GLU 20 HB3 GLU 20 13.780 8.009 6.138 145 HG2 GLU 20 HG3 GLU 20 11.986 6.574 5.418 146 HG3 GLU 20 HG2 GLU 20 13.095 5.212 5.336 147 H ASP 21 H ASP 21 15.621 8.553 2.338 148 HA ASP 21 HA ASP 21 17.494 9.894 4.167 149 HB2 ASP 21 HB2 ASP 21 18.785 8.614 2.579 150 HB3 ASP 21 HB3 ASP 21 17.788 9.162 1.241 151 H VAL 22 H VAL 22 14.730 9.953 2.628 152 HA VAL 22 HA VAL 22 15.033 12.375 1.024 153 HB VAL 22 HB VAL 22 14.426 10.176 0.024 154 HG11 VAL 22 HG21 VAL 22 13.165 9.341 1.954 155 HG12 VAL 22 HG22 VAL 22 12.290 9.154 0.436 156 HG13 VAL 22 HG23 VAL 22 11.855 10.449 1.552 157 HG21 VAL 22 HG13 VAL 22 12.335 10.884 -1.188 158 HG22 VAL 22 HG11 VAL 22 13.718 11.986 -1.296 159 HG23 VAL 22 HG12 VAL 22 12.380 12.357 -0.209 160 H SER 23 H SER 23 12.938 13.634 0.759 161 HA SER 23 HA SER 23 11.683 14.627 3.026 162 HB2 SER 23 HB3 SER 23 10.365 14.310 0.335 163 HB3 SER 23 HB2 SER 23 10.099 15.582 1.515 164 HG SER 23 HG SER 23 12.638 15.694 1.003 165 HA PRO 24 HA PRO 24 9.275 12.007 5.118 166 HB2 PRO 24 HB3 PRO 24 6.635 11.807 4.225 167 HB3 PRO 24 HB2 PRO 24 7.229 12.992 5.392 168 HG2 PRO 24 HG3 PRO 24 6.893 13.260 2.423 169 HG3 PRO 24 HG2 PRO 24 6.406 14.391 3.695 170 HD2 PRO 24 HD2 PRO 24 8.612 14.890 2.374 171 HD3 PRO 24 HD3 PRO 24 8.689 14.975 4.152 172 H ALA 25 H ALA 25 9.297 9.819 5.125 173 HA ALA 25 HA ALA 25 10.875 8.763 3.304 174 HB1 ALA 25 HB1 ALA 25 10.070 7.709 5.475 175 HB2 ALA 25 HB2 ALA 25 10.585 6.660 4.153 176 HB3 ALA 25 HB3 ALA 25 8.868 6.906 4.461 177 H GLU 26 H GLU 26 10.932 7.700 1.473 178 HA GLU 26 HA GLU 26 8.440 7.657 0.005 179 HB2 GLU 26 HB2 GLU 26 11.033 8.919 -0.837 180 HB3 GLU 26 HB3 GLU 26 9.934 8.270 -2.051 181 HG2 GLU 26 HG3 GLU 26 8.147 9.709 -1.187 182 HG3 GLU 26 HG2 GLU 26 9.269 10.374 -0.003 183 H LEU 27 H LEU 27 8.001 5.952 -1.116 184 HA LEU 27 HA LEU 27 9.973 3.771 -1.384 185 HB2 LEU 27 HB2 LEU 27 7.891 3.047 -0.437 186 HB3 LEU 27 HB3 LEU 27 6.958 3.976 -1.581 187 HG LEU 27 HG LEU 27 8.588 1.558 -2.392 188 HD11 LEU 27 HD11 LEU 27 6.906 0.993 -0.695 189 HD12 LEU 27 HD12 LEU 27 6.550 0.294 -2.274 190 HD13 LEU 27 HD13 LEU 27 5.664 1.719 -1.723 191 HD21 LEU 27 HD21 LEU 27 6.248 2.935 -3.737 192 HD22 LEU 27 HD22 LEU 27 7.104 1.515 -4.336 193 HD23 LEU 27 HD23 LEU 27 7.933 3.064 -4.236 194 H THR 28 H THR 28 10.527 3.112 -3.463 195 HA THR 28 HA THR 28 9.401 4.772 -5.602 196 HB THR 28 HB THR 28 12.303 3.976 -5.521 197 HG1 THR 28 HG1 THR 28 11.291 5.582 -3.822 198 HG21 THR 28 HG21 THR 28 11.487 4.530 -7.703 199 HG22 THR 28 HG22 THR 28 12.453 5.889 -7.122 200 HG23 THR 28 HG23 THR 28 10.684 5.977 -7.085 201 H TRP 29 H TRP 29 8.241 3.393 -6.770 202 HA TRP 29 HA TRP 29 9.304 0.721 -7.259 203 HB2 TRP 29 HB3 TRP 29 6.894 0.867 -6.815 204 HB3 TRP 29 HB2 TRP 29 6.703 1.959 -8.185 205 HD1 TRP 29 HD1 TRP 29 7.473 -1.742 -7.419 206 HE1 TRP 29 HE1 TRP 29 7.026 -3.127 -9.546 207 HE3 TRP 29 HE3 TRP 29 6.476 2.076 -10.655 208 HZ2 TRP 29 HZ2 TRP 29 6.353 -2.644 -12.244 209 HZ3 TRP 29 HZ3 TRP 29 5.927 1.531 -12.980 210 HH2 TRP 29 HH2 TRP 29 5.872 -0.772 -13.763 211 H ARG 30 H ARG 30 10.777 0.597 -8.670 212 HA ARG 30 HA ARG 30 10.632 2.190 -11.148 213 HB2 ARG 30 HB2 ARG 30 12.591 2.795 -9.952 214 HB3 ARG 30 HB3 ARG 30 12.926 1.122 -9.516 215 HG2 ARG 30 HG2 ARG 30 13.081 0.856 -12.138 216 HG3 ARG 30 HG3 ARG 30 13.468 2.571 -12.026 217 HD2 ARG 30 HD2 ARG 30 15.246 2.099 -10.452 218 HD3 ARG 30 HD3 ARG 30 14.804 0.392 -10.460 219 HE ARG 30 HE ARG 30 15.590 1.573 -13.007 220 HH11 ARG 30 HH11 ARG 30 16.477 -0.381 -10.240 221 HH12 ARG 30 HH12 ARG 30 17.860 -1.081 -11.019 222 HH21 ARG 30 HH21 ARG 30 17.422 0.648 -14.035 223 HH22 ARG 30 HH22 ARG 30 18.395 -0.501 -13.170 224 H SER 31 H SER 31 10.202 0.967 -12.938 225 HA SER 31 HA SER 31 9.827 -1.810 -12.685 226 HB2 SER 31 HB3 SER 31 9.356 -1.836 -15.057 227 HB3 SER 31 HB2 SER 31 8.617 -0.408 -14.346 228 HG SER 31 HG SER 31 9.832 -0.175 -16.389 229 H THR 32 H THR 32 10.978 -3.510 -13.504 230 HA THR 32 HA THR 32 13.659 -3.523 -12.833 231 HB THR 32 HB THR 32 12.369 -5.465 -14.744 232 HG1 THR 32 HG1 THR 32 12.295 -5.437 -11.891 233 HG21 THR 32 HG21 THR 32 14.539 -5.802 -12.668 234 HG22 THR 32 HG22 THR 32 14.784 -5.758 -14.414 235 HG23 THR 32 HG23 THR 32 13.876 -7.082 -13.683 236 H ASP 33 H ASP 33 12.188 -2.658 -15.866 237 HA ASP 33 HA ASP 33 14.615 -2.923 -17.404 238 HB2 ASP 33 HB2 ASP 33 11.806 -2.043 -17.968 239 HB3 ASP 33 HB3 ASP 33 13.086 -1.757 -19.124 240 H GLY 34 H GLY 34 13.340 -0.610 -15.313 241 HA2 GLY 34 HA3 GLY 34 14.128 1.509 -14.808 242 HA3 GLY 34 HA2 GLY 34 15.246 1.383 -16.159 243 H ASP 35 H ASP 35 11.910 0.744 -16.679 244 HA ASP 35 HA ASP 35 11.799 3.006 -18.507 245 HB2 ASP 35 HB2 ASP 35 11.245 0.896 -19.477 246 HB3 ASP 35 HB3 ASP 35 10.098 0.562 -18.193 247 H LYS 36 H LYS 36 9.962 1.601 -15.858 248 HA LYS 36 HA LYS 36 8.409 4.096 -15.663 249 HB2 LYS 36 HB2 LYS 36 7.697 1.277 -15.334 250 HB3 LYS 36 HB3 LYS 36 7.199 2.281 -13.986 251 HG2 LYS 36 HG2 LYS 36 5.968 3.723 -15.498 252 HG3 LYS 36 HG3 LYS 36 6.505 2.751 -16.863 253 HD2 LYS 36 HD2 LYS 36 5.429 0.776 -15.792 254 HD3 LYS 36 HD3 LYS 36 4.777 1.861 -14.560 255 HE2 LYS 36 HE2 LYS 36 3.725 3.169 -16.449 256 HE3 LYS 36 HE3 LYS 36 4.177 1.829 -17.499 257 HZ1 LYS 36 HZ1 LYS 36 2.392 1.656 -15.126 258 HZ2 LYS 36 HZ2 LYS 36 2.854 0.350 -16.104 259 HZ3 LYS 36 HZ3 LYS 36 1.912 1.593 -16.750 260 H VAL 37 H VAL 37 8.243 5.132 -13.725 261 HA VAL 37 HA VAL 37 9.488 3.964 -11.348 262 HB VAL 37 HB VAL 37 10.236 6.724 -12.365 263 HG11 VAL 37 HG21 VAL 37 11.007 5.312 -9.814 264 HG12 VAL 37 HG22 VAL 37 9.944 6.714 -9.950 265 HG13 VAL 37 HG23 VAL 37 11.650 6.856 -10.368 266 HG21 VAL 37 HG13 VAL 37 11.929 4.258 -11.948 267 HG22 VAL 37 HG11 VAL 37 12.530 5.852 -12.409 268 HG23 VAL 37 HG12 VAL 37 11.475 4.958 -13.502 269 H HIS 38 H HIS 38 7.979 4.043 -9.863 270 HA HIS 38 HA HIS 38 6.159 6.355 -9.757 271 HB2 HIS 38 HB3 HIS 38 5.298 4.036 -10.588 272 HB3 HIS 38 HB2 HIS 38 5.381 3.617 -8.880 273 HD1 HIS 38 HD1 HIS 38 3.272 5.244 -11.366 274 HD2 HIS 38 HD2 HIS 38 3.652 5.304 -7.230 275 HE1 HIS 38 HE1 HIS 38 1.152 6.277 -10.512 276 HE2 HIS 38 HE2 HIS 38 1.541 6.558 -8.039 277 H THR 39 H THR 39 6.624 7.471 -7.947 278 HA THR 39 HA THR 39 7.819 6.002 -5.717 279 HB THR 39 HB THR 39 7.640 9.000 -6.067 280 HG1 THR 39 HG1 THR 39 8.802 7.931 -7.793 281 HG21 THR 39 HG21 THR 39 8.102 8.128 -3.786 282 HG22 THR 39 HG22 THR 39 9.437 9.066 -4.461 283 HG23 THR 39 HG23 THR 39 9.524 7.303 -4.433 284 H VAL 40 H VAL 40 6.936 6.012 -3.646 285 HA VAL 40 HA VAL 40 4.280 7.277 -3.319 286 HB VAL 40 HB VAL 40 5.402 4.717 -2.201 287 HG11 VAL 40 HG21 VAL 40 3.313 4.559 -0.864 288 HG12 VAL 40 HG22 VAL 40 2.995 6.248 -1.256 289 HG13 VAL 40 HG23 VAL 40 4.423 5.815 -0.320 290 HG21 VAL 40 HG13 VAL 40 2.721 5.154 -3.446 291 HG22 VAL 40 HG11 VAL 40 3.628 3.653 -3.263 292 HG23 VAL 40 HG12 VAL 40 4.160 4.867 -4.433 293 H VAL 41 H VAL 41 4.087 8.797 -1.738 294 HA VAL 41 HA VAL 41 6.258 9.159 0.168 295 HB VAL 41 HB VAL 41 3.785 10.856 -0.241 296 HG11 VAL 41 HG21 VAL 41 4.637 11.094 2.012 297 HG12 VAL 41 HG22 VAL 41 5.041 12.542 1.091 298 HG13 VAL 41 HG23 VAL 41 6.276 11.324 1.406 299 HG21 VAL 41 HG13 VAL 41 5.299 12.437 -1.344 300 HG22 VAL 41 HG11 VAL 41 5.244 10.894 -2.195 301 HG23 VAL 41 HG12 VAL 41 6.624 11.287 -1.170 302 H LEU 42 H LEU 42 6.172 7.903 1.807 303 HA LEU 42 HA LEU 42 4.102 6.433 2.845 304 HB2 LEU 42 HB2 LEU 42 6.659 7.420 4.034 305 HB3 LEU 42 HB3 LEU 42 5.514 6.518 5.010 306 HG LEU 42 HG LEU 42 7.455 5.233 3.928 307 HD11 LEU 42 HD11 LEU 42 4.634 4.276 3.507 308 HD12 LEU 42 HD12 LEU 42 5.503 4.251 5.042 309 HD13 LEU 42 HD13 LEU 42 6.075 3.280 3.695 310 HD21 LEU 42 HD21 LEU 42 7.297 6.109 1.673 311 HD22 LEU 42 HD22 LEU 42 5.649 5.493 1.530 312 HD23 LEU 42 HD23 LEU 42 6.999 4.369 1.678 313 H SER 43 H SER 43 4.805 9.804 3.485 314 HA SER 43 HA SER 43 3.194 9.847 5.869 315 HB2 SER 43 HB3 SER 43 4.472 12.041 4.272 316 HB3 SER 43 HB2 SER 43 3.503 12.335 5.715 317 HG SER 43 HG SER 43 5.259 10.404 6.241 318 H THR 44 H THR 44 2.711 10.612 2.460 319 HA THR 44 HA THR 44 0.053 11.605 2.884 320 HB THR 44 HB THR 44 -0.266 11.347 0.457 321 HG1 THR 44 HG1 THR 44 1.918 9.690 0.724 322 HG21 THR 44 HG21 THR 44 2.393 12.570 1.188 323 HG22 THR 44 HG22 THR 44 0.822 13.365 1.282 324 HG23 THR 44 HG23 THR 44 1.484 12.899 -0.285 325 H ILE 45 H ILE 45 1.553 8.581 2.820 326 HA ILE 45 HA ILE 45 -0.700 6.965 2.274 327 HB ILE 45 HB ILE 45 1.910 6.345 3.631 328 HG12 ILE 45 HG13 ILE 45 2.145 7.039 1.305 329 HG13 ILE 45 HG12 ILE 45 2.489 5.328 1.467 330 HG21 ILE 45 HG21 ILE 45 1.389 4.006 3.287 331 HG22 ILE 45 HG22 ILE 45 -0.170 4.438 2.590 332 HG23 ILE 45 HG23 ILE 45 0.154 4.768 4.292 333 HD11 ILE 45 HD11 ILE 45 0.125 4.890 0.684 334 HD12 ILE 45 HD12 ILE 45 1.213 5.594 -0.515 335 HD13 ILE 45 HD13 ILE 45 0.025 6.610 0.308 336 H ASP 46 H ASP 46 -2.364 6.678 3.506 337 HA ASP 46 HA ASP 46 -2.547 7.445 6.245 338 HB2 ASP 46 HB2 ASP 46 -4.435 7.541 4.619 339 HB3 ASP 46 HB3 ASP 46 -4.436 5.791 4.562 340 H LYS 47 H LYS 47 -2.611 4.332 4.543 341 HA LYS 47 HA LYS 47 -1.550 3.003 6.930 342 HB2 LYS 47 HB2 LYS 47 -3.937 1.917 5.382 343 HB3 LYS 47 HB3 LYS 47 -3.116 1.135 6.726 344 HG2 LYS 47 HG2 LYS 47 -4.596 3.745 6.947 345 HG3 LYS 47 HG3 LYS 47 -5.262 2.167 7.359 346 HD2 LYS 47 HD2 LYS 47 -3.534 1.863 9.051 347 HD3 LYS 47 HD3 LYS 47 -2.836 3.423 8.621 348 HE2 LYS 47 HE2 LYS 47 -5.626 3.008 9.679 349 HE3 LYS 47 HE3 LYS 47 -4.244 3.525 10.645 350 HZ1 LYS 47 HZ1 LYS 47 -5.660 5.375 9.913 351 HZ2 LYS 47 HZ2 LYS 47 -5.308 5.007 8.295 352 HZ3 LYS 47 HZ3 LYS 47 -4.076 5.513 9.342 353 H LEU 48 H LEU 48 -0.370 1.091 6.410 354 HA LEU 48 HA LEU 48 -0.234 0.512 3.536 355 HB2 LEU 48 HB2 LEU 48 1.974 0.946 4.076 356 HB3 LEU 48 HB3 LEU 48 1.807 0.254 5.687 357 HG LEU 48 HG LEU 48 1.571 -2.003 4.561 358 HD11 LEU 48 HD11 LEU 48 1.115 -0.949 2.306 359 HD12 LEU 48 HD12 LEU 48 2.265 -2.284 2.349 360 HD13 LEU 48 HD13 LEU 48 2.846 -0.624 2.238 361 HD21 LEU 48 HD21 LEU 48 3.679 -2.276 5.104 362 HD22 LEU 48 HD22 LEU 48 3.800 -0.519 5.290 363 HD23 LEU 48 HD23 LEU 48 4.205 -1.277 3.752 364 H GLN 49 H GLN 49 -0.419 -1.539 2.875 365 HA GLN 49 HA GLN 49 -1.498 -3.467 4.798 366 HB2 GLN 49 HB2 GLN 49 -2.491 -3.013 1.994 367 HB3 GLN 49 HB3 GLN 49 -3.164 -4.131 3.178 368 HG2 GLN 49 HG2 GLN 49 -3.616 -2.090 4.623 369 HG3 GLN 49 HG3 GLN 49 -3.257 -1.134 3.191 370 HE21 GLN 49 HE21 GLN 49 -4.403 -3.175 1.412 371 HE22 GLN 49 HE22 GLN 49 -6.117 -3.016 1.566 372 H ALA 50 H ALA 50 -1.320 -5.641 4.131 373 HA ALA 50 HA ALA 50 0.338 -6.404 1.909 374 HB1 ALA 50 HB1 ALA 50 2.183 -7.287 3.243 375 HB2 ALA 50 HB2 ALA 50 1.420 -6.711 4.724 376 HB3 ALA 50 HB3 ALA 50 2.027 -5.549 3.536 377 H THR 51 H THR 51 0.304 -8.704 1.655 378 HA THR 51 HA THR 51 -2.041 -10.038 2.319 379 HB THR 51 HB THR 51 -0.729 -12.142 1.842 380 HG1 THR 51 HG1 THR 51 1.313 -11.084 2.566 381 HG21 THR 51 HG21 THR 51 -0.588 -9.856 -0.108 382 HG22 THR 51 HG22 THR 51 -1.872 -11.057 0.041 383 HG23 THR 51 HG23 THR 51 -0.274 -11.538 -0.536 384 HA PRO 52 HA PRO 52 -1.465 -10.927 6.652 385 HB2 PRO 52 HB3 PRO 52 -3.875 -12.123 6.926 386 HB3 PRO 52 HB2 PRO 52 -3.711 -10.372 6.787 387 HG2 PRO 52 HG3 PRO 52 -4.382 -12.380 4.675 388 HG3 PRO 52 HG2 PRO 52 -5.166 -10.846 5.032 389 HD2 PRO 52 HD2 PRO 52 -3.390 -11.124 3.041 390 HD3 PRO 52 HD3 PRO 52 -3.510 -9.629 3.969 391 H ALA 53 H ALA 53 -1.517 -12.932 7.972 392 HA ALA 53 HA ALA 53 -0.278 -15.146 6.838 393 HB1 ALA 53 HB1 ALA 53 -2.056 -15.103 9.278 394 HB2 ALA 53 HB2 ALA 53 -0.336 -14.716 9.250 395 HB3 ALA 53 HB3 ALA 53 -0.878 -16.352 8.875 396 H SER 54 H SER 54 -3.635 -14.280 6.956 397 HA SER 54 HA SER 54 -4.696 -16.844 6.308 398 HB2 SER 54 HB3 SER 54 -5.866 -14.789 7.378 399 HB3 SER 54 HB2 SER 54 -6.082 -14.242 5.719 400 HG SER 54 HG SER 54 -6.932 -16.584 5.506 401 H SER 55 H SER 55 -3.279 -14.279 4.474 402 HA SER 55 HA SER 55 -4.391 -15.193 1.948 403 HB2 SER 55 HB3 SER 55 -3.929 -12.750 2.362 404 HB3 SER 55 HB2 SER 55 -2.218 -13.147 2.447 405 HG SER 55 HG SER 55 -3.952 -13.179 0.229 406 H GLU 56 H GLU 56 -3.358 -16.473 0.499 407 HA GLU 56 HA GLU 56 -0.941 -17.819 1.366 408 HB2 GLU 56 HB2 GLU 56 -2.789 -18.279 -0.936 409 HB3 GLU 56 HB3 GLU 56 -1.371 -19.258 -0.619 410 HG2 GLU 56 HG3 GLU 56 -3.716 -18.910 1.219 411 HG3 GLU 56 HG2 GLU 56 -3.358 -20.314 0.221 412 H LYS 57 H LYS 57 -1.649 -15.126 -0.363 413 HA LYS 57 HA LYS 57 0.503 -15.446 -2.338 414 HB2 LYS 57 HB2 LYS 57 -1.234 -13.037 -2.215 415 HB3 LYS 57 HB3 LYS 57 -0.538 -13.828 -3.613 416 HG2 LYS 57 HG2 LYS 57 -2.880 -14.830 -2.012 417 HG3 LYS 57 HG3 LYS 57 -2.969 -14.026 -3.576 418 HD2 LYS 57 HD2 LYS 57 -1.668 -16.664 -2.974 419 HD3 LYS 57 HD3 LYS 57 -3.201 -16.431 -3.807 420 HE2 LYS 57 HE2 LYS 57 -2.001 -15.196 -5.580 421 HE3 LYS 57 HE3 LYS 57 -0.486 -15.548 -4.750 422 HZ1 LYS 57 HZ1 LYS 57 -0.881 -17.109 -6.535 423 HZ2 LYS 57 HZ2 LYS 57 -2.358 -17.565 -5.848 424 HZ3 LYS 57 HZ3 LYS 57 -0.911 -17.904 -5.042 425 H MET 58 H MET 58 1.436 -13.065 -2.776 426 HA MET 58 HA MET 58 2.246 -11.904 -0.196 427 HB2 MET 58 HB3 MET 58 4.408 -11.845 -2.105 428 HB3 MET 58 HB2 MET 58 4.404 -12.520 -0.495 429 HG2 MET 58 HG3 MET 58 3.254 -14.022 -2.814 430 HG3 MET 58 HG2 MET 58 4.966 -14.075 -2.451 431 HE1 MET 58 HE1 MET 58 3.660 -17.573 -1.266 432 HE2 MET 58 HE2 MET 58 4.828 -16.727 -2.279 433 HE3 MET 58 HE3 MET 58 3.108 -16.637 -2.654 434 H MET 59 H MET 59 1.478 -9.868 -0.389 435 HA MET 59 HA MET 59 2.235 -8.245 -2.626 436 HB2 MET 59 HB3 MET 59 -0.619 -9.114 -2.287 437 HB3 MET 59 HB2 MET 59 -0.229 -7.567 -3.020 438 HG2 MET 59 HG3 MET 59 -0.308 -8.767 -4.919 439 HG3 MET 59 HG2 MET 59 1.352 -9.158 -4.482 440 HE1 MET 59 HE1 MET 59 -2.263 -10.378 -4.897 441 HE2 MET 59 HE2 MET 59 -2.158 -10.468 -3.140 442 HE3 MET 59 HE3 MET 59 -2.275 -11.947 -4.092 443 H LEU 60 H LEU 60 2.106 -6.092 -2.234 444 HA LEU 60 HA LEU 60 1.171 -5.273 0.451 445 HB2 LEU 60 HB2 LEU 60 3.473 -4.547 -1.185 446 HB3 LEU 60 HB3 LEU 60 2.614 -3.159 -0.554 447 HG LEU 60 HG LEU 60 2.827 -4.348 1.732 448 HD11 LEU 60 HD11 LEU 60 3.626 -6.498 0.955 449 HD12 LEU 60 HD12 LEU 60 4.860 -5.693 1.937 450 HD13 LEU 60 HD13 LEU 60 5.009 -5.720 0.177 451 HD21 LEU 60 HD21 LEU 60 5.179 -3.173 0.291 452 HD22 LEU 60 HD22 LEU 60 5.042 -3.356 2.037 453 HD23 LEU 60 HD23 LEU 60 3.934 -2.289 1.173 454 H ARG 61 H ARG 61 0.276 -3.105 0.617 455 HA ARG 61 HA ARG 61 -0.593 -1.692 -1.708 456 HB2 ARG 61 HB2 ARG 61 -2.433 -3.356 -1.368 457 HB3 ARG 61 HB3 ARG 61 -2.731 -2.616 0.198 458 HG2 ARG 61 HG2 ARG 61 -3.179 -0.472 -0.924 459 HG3 ARG 61 HG3 ARG 61 -2.969 -1.271 -2.481 460 HD2 ARG 61 HD2 ARG 61 -4.763 -2.918 -1.387 461 HD3 ARG 61 HD3 ARG 61 -5.192 -1.439 -0.535 462 HE ARG 61 HE ARG 61 -4.997 -0.810 -3.240 463 HH11 ARG 61 HH11 ARG 61 -6.989 -2.770 -1.131 464 HH12 ARG 61 HH12 ARG 61 -8.362 -2.742 -2.193 465 HH21 ARG 61 HH21 ARG 61 -6.810 -0.796 -4.649 466 HH22 ARG 61 HH22 ARG 61 -8.258 -1.631 -4.183 467 H LEU 62 H LEU 62 0.048 0.297 -1.223 468 HA LEU 62 HA LEU 62 -0.110 1.203 1.559 469 HB2 LEU 62 HB2 LEU 62 1.322 2.271 -0.868 470 HB3 LEU 62 HB3 LEU 62 1.148 3.230 0.576 471 HG LEU 62 HG LEU 62 2.227 1.218 1.789 472 HD11 LEU 62 HD11 LEU 62 3.739 -0.071 0.310 473 HD12 LEU 62 HD12 LEU 62 2.904 0.635 -1.074 474 HD13 LEU 62 HD13 LEU 62 2.027 -0.403 0.049 475 HD21 LEU 62 HD21 LEU 62 3.375 3.341 1.476 476 HD22 LEU 62 HD22 LEU 62 3.851 2.845 -0.149 477 HD23 LEU 62 HD23 LEU 62 4.482 1.977 1.259 478 H ILE 63 H ILE 63 -1.883 2.138 2.179 479 HA ILE 63 HA ILE 63 -3.833 3.291 0.371 480 HB ILE 63 HB ILE 63 -3.945 3.521 3.363 481 HG12 ILE 63 HG13 ILE 63 -3.224 1.220 3.003 482 HG13 ILE 63 HG12 ILE 63 -4.886 1.273 3.583 483 HG21 ILE 63 HG21 ILE 63 -6.241 3.544 3.143 484 HG22 ILE 63 HG22 ILE 63 -6.205 2.734 1.584 485 HG23 ILE 63 HG23 ILE 63 -5.697 4.418 1.710 486 HD11 ILE 63 HD11 ILE 63 -4.044 0.872 0.733 487 HD12 ILE 63 HD12 ILE 63 -5.694 0.862 1.353 488 HD13 ILE 63 HD13 ILE 63 -4.557 -0.390 1.849 489 H GLY 64 H GLY 64 -3.789 5.486 -0.146 490 HA2 GLY 64 HA3 GLY 64 -2.238 7.234 1.620 491 HA3 GLY 64 HA2 GLY 64 -2.738 7.636 -0.002 492 H LYS 65 H LYS 65 -3.037 9.143 2.497 493 HA LYS 65 HA LYS 65 -5.571 8.878 3.632 494 HB2 LYS 65 HB2 LYS 65 -3.770 11.280 3.396 495 HB3 LYS 65 HB3 LYS 65 -5.295 11.313 4.261 496 HG2 LYS 65 HG2 LYS 65 -4.125 10.734 6.054 497 HG3 LYS 65 HG3 LYS 65 -4.017 9.135 5.343 498 HD2 LYS 65 HD2 LYS 65 -1.894 9.609 4.390 499 HD3 LYS 65 HD3 LYS 65 -2.036 11.321 4.781 500 HE2 LYS 65 HE2 LYS 65 -1.750 9.051 6.731 501 HE3 LYS 65 HE3 LYS 65 -0.528 10.251 6.332 502 HZ1 LYS 65 HZ1 LYS 65 -2.015 11.956 7.239 503 HZ2 LYS 65 HZ2 LYS 65 -1.588 10.805 8.398 504 HZ3 LYS 65 HZ3 LYS 65 -3.118 10.755 7.688 505 H VAL 66 H VAL 66 -7.529 9.458 3.066 506 HA VAL 66 HA VAL 66 -7.946 10.747 0.486 507 HB VAL 66 HB VAL 66 -9.245 8.719 1.209 508 HG11 VAL 66 HG21 VAL 66 -9.624 9.253 3.524 509 HG12 VAL 66 HG22 VAL 66 -11.173 9.060 2.700 510 HG13 VAL 66 HG23 VAL 66 -10.566 10.674 3.072 511 HG21 VAL 66 HG13 VAL 66 -10.904 11.140 0.535 512 HG22 VAL 66 HG11 VAL 66 -11.370 9.459 0.288 513 HG23 VAL 66 HG12 VAL 66 -10.021 10.140 -0.618 514 H ASP 67 H ASP 67 -9.716 12.440 0.422 515 HA ASP 67 HA ASP 67 -8.938 14.459 2.378 516 HB2 ASP 67 HB2 ASP 67 -8.781 15.036 -0.009 517 HB3 ASP 67 HB3 ASP 67 -10.515 14.779 -0.179 518 H GLU 68 H GLU 68 -10.101 14.352 4.166 519 HA GLU 68 HA GLU 68 -12.958 13.927 4.126 520 HB2 GLU 68 HB2 GLU 68 -11.073 14.565 6.373 521 HB3 GLU 68 HB3 GLU 68 -12.776 14.203 6.576 522 HG2 GLU 68 HG3 GLU 68 -10.785 12.314 5.351 523 HG3 GLU 68 HG2 GLU 68 -11.234 12.319 7.052 524 H SER 69 H SER 69 -11.090 16.503 3.388 525 HA SER 69 HA SER 69 -12.195 18.526 5.063 526 HB2 SER 69 HB3 SER 69 -9.956 18.711 4.101 527 HB3 SER 69 HB2 SER 69 -10.647 18.805 2.486 528 HG SER 69 HG SER 69 -11.410 20.618 4.514 529 H LYS 70 H LYS 70 -12.766 17.494 1.706 530 HA LYS 70 HA LYS 70 -15.389 18.761 1.958 531 HB2 LYS 70 HB2 LYS 70 -15.330 19.359 -0.468 532 HB3 LYS 70 HB3 LYS 70 -14.251 20.290 0.554 533 HG2 LYS 70 HG2 LYS 70 -13.264 17.909 -0.960 534 HG3 LYS 70 HG3 LYS 70 -13.402 19.492 -1.717 535 HD2 LYS 70 HD2 LYS 70 -12.016 20.413 0.133 536 HD3 LYS 70 HD3 LYS 70 -11.771 18.764 0.694 537 HE2 LYS 70 HE2 LYS 70 -10.844 18.203 -1.543 538 HE3 LYS 70 HE3 LYS 70 -10.922 19.914 -1.954 539 HZ1 LYS 70 HZ1 LYS 70 -8.728 19.356 -1.205 540 HZ2 LYS 70 HZ2 LYS 70 -9.322 18.683 0.230 541 HZ3 LYS 70 HZ3 LYS 70 -9.451 20.351 -0.048 542 H LYS 71 H LYS 71 -16.643 17.046 2.169 543 HA LYS 71 HA LYS 71 -16.223 14.557 0.976 544 HB2 LYS 71 HB2 LYS 71 -18.728 15.755 2.137 545 HB3 LYS 71 HB3 LYS 71 -18.546 14.069 1.698 546 HG2 LYS 71 HG2 LYS 71 -16.809 13.796 3.355 547 HG3 LYS 71 HG3 LYS 71 -16.899 15.511 3.759 548 HD2 LYS 71 HD2 LYS 71 -19.255 13.666 3.961 549 HD3 LYS 71 HD3 LYS 71 -18.141 13.926 5.306 550 HE2 LYS 71 HE2 LYS 71 -18.639 16.366 5.114 551 HE3 LYS 71 HE3 LYS 71 -19.860 15.962 3.910 552 HZ1 LYS 71 HZ1 LYS 71 -21.026 14.652 5.556 553 HZ2 LYS 71 HZ2 LYS 71 -20.820 16.238 6.113 554 HZ3 LYS 71 HZ3 LYS 71 -19.841 14.999 6.716 555 H ARG 72 H ARG 72 -17.225 13.578 -0.733 556 HA ARG 72 HA ARG 72 -18.093 15.352 -2.855 557 HB2 ARG 72 HB2 ARG 72 -17.580 13.666 -4.343 558 HB3 ARG 72 HB3 ARG 72 -16.505 13.227 -3.024 559 HG2 ARG 72 HG2 ARG 72 -17.959 11.496 -2.311 560 HG3 ARG 72 HG3 ARG 72 -19.238 12.034 -3.401 561 HD2 ARG 72 HD2 ARG 72 -16.571 10.861 -4.167 562 HD3 ARG 72 HD3 ARG 72 -18.154 10.114 -4.365 563 HE ARG 72 HE ARG 72 -18.582 12.156 -5.871 564 HH11 ARG 72 HH11 ARG 72 -15.521 10.465 -5.568 565 HH12 ARG 72 HH12 ARG 72 -14.960 10.947 -7.135 566 HH21 ARG 72 HH21 ARG 72 -17.851 12.778 -7.927 567 HH22 ARG 72 HH22 ARG 72 -16.289 12.267 -8.485 568 H LYS 73 H LYS 73 -19.980 14.191 -4.252 569 HA LYS 73 HA LYS 73 -22.207 13.967 -2.341 570 HB2 LYS 73 HB2 LYS 73 -22.350 15.365 -5.009 571 HB3 LYS 73 HB3 LYS 73 -23.508 15.431 -3.686 572 HG2 LYS 73 HG2 LYS 73 -20.705 16.430 -3.422 573 HG3 LYS 73 HG3 LYS 73 -22.029 17.458 -3.976 574 HD2 LYS 73 HD2 LYS 73 -22.953 17.568 -1.909 575 HD3 LYS 73 HD3 LYS 73 -22.459 15.924 -1.496 576 HE2 LYS 73 HE2 LYS 73 -21.199 17.425 -0.126 577 HE3 LYS 73 HE3 LYS 73 -20.117 16.736 -1.345 578 HZ1 LYS 73 HZ1 LYS 73 -19.780 19.121 -1.067 579 HZ2 LYS 73 HZ2 LYS 73 -21.385 19.421 -1.500 580 HZ3 LYS 73 HZ3 LYS 73 -20.314 18.759 -2.630 581 H ASP 74 H ASP 74 -23.919 12.623 -2.904 582 HA ASP 74 HA ASP 74 -23.364 10.710 -5.044 583 HB2 ASP 74 HB2 ASP 74 -23.931 10.011 -2.660 584 HB3 ASP 74 HB3 ASP 74 -25.548 10.605 -2.961 585 H ASN 75 H ASN 75 -26.115 9.959 -5.479 586 HA ASN 75 HA ASN 75 -26.555 11.509 -7.739 587 HB2 ASN 75 HB2 ASN 75 -28.434 9.680 -6.260 588 HB3 ASN 75 HB3 ASN 75 -28.774 10.382 -7.838 589 HD21 ASN 75 HD21 ASN 75 -26.785 8.121 -6.077 590 HD22 ASN 75 HD22 ASN 75 -26.189 7.275 -7.464 591 H GLU 76 H GLU 76 -27.856 12.048 -4.475 592 HA GLU 76 HA GLU 76 -29.819 13.918 -5.563 593 HB2 GLU 76 HB2 GLU 76 -30.283 12.321 -3.630 594 HB3 GLU 76 HB3 GLU 76 -29.261 13.365 -2.659 595 HG2 GLU 76 HG3 GLU 76 -31.492 14.007 -2.250 596 HG3 GLU 76 HG2 GLU 76 -30.753 15.257 -3.254 597 H GLY 77 H GLY 77 -26.663 13.858 -4.488 598 HA2 GLY 77 HA3 GLY 77 -25.178 15.705 -4.436 599 HA3 GLY 77 HA2 GLY 77 -26.564 16.778 -4.248 600 H ASN 78 H ASN 78 -26.278 13.884 -2.411 601 HA ASN 78 HA ASN 78 -26.487 15.364 0.012 602 HB2 ASN 78 HB2 ASN 78 -26.464 13.015 1.043 603 HB3 ASN 78 HB3 ASN 78 -27.769 13.389 -0.076 604 HD21 ASN 78 HD21 ASN 78 -28.079 12.275 -1.745 605 HD22 ASN 78 HD22 ASN 78 -27.127 10.946 -2.236 606 H GLU 79 H GLU 79 -24.345 12.571 -0.154 607 HA GLU 79 HA GLU 79 -21.897 13.874 -0.356 608 HB2 GLU 79 HB2 GLU 79 -21.155 13.780 2.056 609 HB3 GLU 79 HB3 GLU 79 -22.305 15.050 1.664 610 HG2 GLU 79 HG3 GLU 79 -24.099 13.753 2.590 611 HG3 GLU 79 HG2 GLU 79 -22.988 12.437 2.971 612 H VAL 80 H VAL 80 -20.393 12.400 -0.711 613 HA VAL 80 HA VAL 80 -20.592 9.746 0.538 614 HB VAL 80 HB VAL 80 -19.253 10.111 -2.114 615 HG11 VAL 80 HG21 VAL 80 -19.749 7.723 -2.351 616 HG12 VAL 80 HG22 VAL 80 -20.578 7.746 -0.795 617 HG13 VAL 80 HG23 VAL 80 -18.847 8.071 -0.876 618 HG21 VAL 80 HG13 VAL 80 -22.191 9.489 -1.791 619 HG22 VAL 80 HG11 VAL 80 -21.283 9.403 -3.299 620 HG23 VAL 80 HG12 VAL 80 -21.513 10.957 -2.497 621 H VAL 81 H VAL 81 -18.573 8.934 1.145 622 HA VAL 81 HA VAL 81 -16.403 10.886 0.930 623 HB VAL 81 HB VAL 81 -17.009 8.828 3.021 624 HG11 VAL 81 HG21 VAL 81 -14.892 9.397 4.111 625 HG12 VAL 81 HG22 VAL 81 -14.483 10.467 2.771 626 HG13 VAL 81 HG23 VAL 81 -14.597 8.728 2.507 627 HG21 VAL 81 HG13 VAL 81 -16.582 11.800 3.161 628 HG22 VAL 81 HG11 VAL 81 -16.933 10.750 4.533 629 HG23 VAL 81 HG12 VAL 81 -18.131 10.964 3.257 630 HA PRO 82 HA PRO 82 -14.940 8.130 -2.301 631 HB2 PRO 82 HB3 PRO 82 -12.626 9.890 -1.653 632 HB3 PRO 82 HB2 PRO 82 -13.276 9.430 -3.218 633 HG2 PRO 82 HG3 PRO 82 -13.768 11.787 -2.137 634 HG3 PRO 82 HG2 PRO 82 -14.948 10.974 -3.141 635 HD2 PRO 82 HD2 PRO 82 -14.988 11.479 -0.287 636 HD3 PRO 82 HD3 PRO 82 -16.319 11.060 -1.375 637 H LYS 83 H LYS 83 -13.570 6.397 -2.372 638 HA LYS 83 HA LYS 83 -12.360 5.509 0.075 639 HB2 LYS 83 HB2 LYS 83 -12.390 4.378 -2.724 640 HB3 LYS 83 HB3 LYS 83 -11.520 3.621 -1.396 641 HG2 LYS 83 HG2 LYS 83 -13.608 3.379 -0.162 642 HG3 LYS 83 HG3 LYS 83 -14.485 4.135 -1.494 643 HD2 LYS 83 HD2 LYS 83 -13.840 2.325 -2.978 644 HD3 LYS 83 HD3 LYS 83 -12.876 1.590 -1.696 645 HE2 LYS 83 HE2 LYS 83 -15.035 0.471 -1.949 646 HE3 LYS 83 HE3 LYS 83 -14.884 1.234 -0.369 647 HZ1 LYS 83 HZ1 LYS 83 -17.067 1.581 -1.416 648 HZ2 LYS 83 HZ2 LYS 83 -16.322 2.429 -2.676 649 HZ3 LYS 83 HZ3 LYS 83 -16.264 3.035 -1.098 650 HA PRO 84 HA PRO 84 -8.594 7.755 -0.337 651 HB2 PRO 84 HB3 PRO 84 -7.438 5.413 1.073 652 HB3 PRO 84 HB2 PRO 84 -7.385 7.128 1.496 653 HG2 PRO 84 HG3 PRO 84 -8.962 5.397 2.805 654 HG3 PRO 84 HG2 PRO 84 -9.436 7.081 2.524 655 HD2 PRO 84 HD2 PRO 84 -10.393 4.596 1.200 656 HD3 PRO 84 HD3 PRO 84 -11.250 6.115 1.523 657 H GLN 85 H GLN 85 -7.017 7.814 -1.819 658 HA GLN 85 HA GLN 85 -6.830 5.766 -3.756 659 HB2 GLN 85 HB2 GLN 85 -4.913 7.185 -4.655 660 HB3 GLN 85 HB3 GLN 85 -6.506 7.912 -4.613 661 HG2 GLN 85 HG2 GLN 85 -5.293 9.636 -3.789 662 HG3 GLN 85 HG3 GLN 85 -5.667 8.801 -2.288 663 HE21 GLN 85 HE21 GLN 85 -3.317 7.636 -4.602 664 HE22 GLN 85 HE22 GLN 85 -1.930 7.925 -3.613 665 H ARG 86 H ARG 86 -5.810 3.957 -3.640 666 HA ARG 86 HA ARG 86 -3.592 3.740 -1.733 667 HB2 ARG 86 HB2 ARG 86 -5.274 1.468 -2.802 668 HB3 ARG 86 HB3 ARG 86 -4.235 1.476 -1.371 669 HG2 ARG 86 HG2 ARG 86 -5.727 2.751 -0.151 670 HG3 ARG 86 HG3 ARG 86 -6.574 3.327 -1.572 671 HD2 ARG 86 HD2 ARG 86 -6.601 0.417 -0.896 672 HD3 ARG 86 HD3 ARG 86 -7.679 1.530 -0.052 673 HE ARG 86 HE ARG 86 -7.783 1.817 -2.903 674 HH11 ARG 86 HH11 ARG 86 -8.996 -0.048 -0.200 675 HH12 ARG 86 HH12 ARG 86 -10.481 -0.468 -0.992 676 HH21 ARG 86 HH21 ARG 86 -9.748 1.276 -3.945 677 HH22 ARG 86 HH22 ARG 86 -10.904 0.273 -3.126 678 H HIS 87 H HIS 87 -1.872 2.320 -2.250 679 HA HIS 87 HA HIS 87 -1.371 2.020 -5.142 680 HB2 HIS 87 HB3 HIS 87 0.543 2.633 -2.884 681 HB3 HIS 87 HB2 HIS 87 1.036 2.344 -4.536 682 HD1 HIS 87 HD1 HIS 87 -0.428 4.132 -6.260 683 HD2 HIS 87 HD2 HIS 87 0.433 5.260 -2.356 684 HE1 HIS 87 HE1 HIS 87 -0.543 6.637 -6.239 685 HE2 HIS 87 HE2 HIS 87 0.224 7.297 -3.934 686 H MET 88 H MET 88 -1.432 -0.092 -5.641 687 HA MET 88 HA MET 88 -0.622 -2.033 -3.577 688 HB2 MET 88 HB3 MET 88 -3.015 -2.200 -4.106 689 HB3 MET 88 HB2 MET 88 -2.631 -2.394 -5.810 690 HG2 MET 88 HG3 MET 88 -1.376 -4.462 -5.215 691 HG3 MET 88 HG2 MET 88 -1.982 -4.293 -3.572 692 HE1 MET 88 HE1 MET 88 -5.010 -3.432 -3.835 693 HE2 MET 88 HE2 MET 88 -4.376 -4.718 -2.809 694 HE3 MET 88 HE3 MET 88 -5.747 -5.035 -3.871 695 H PHE 89 H PHE 89 1.179 -3.178 -4.010 696 HA PHE 89 HA PHE 89 1.738 -3.656 -6.874 697 HB2 PHE 89 HB3 PHE 89 3.978 -4.031 -5.027 698 HB3 PHE 89 HB2 PHE 89 3.913 -3.156 -6.552 699 HD1 PHE 89 HD2 PHE 89 3.199 -0.821 -6.603 700 HD2 PHE 89 HD1 PHE 89 3.728 -2.893 -2.948 701 HE1 PHE 89 HE2 PHE 89 3.223 1.307 -5.411 702 HE2 PHE 89 HE1 PHE 89 3.761 -0.755 -1.733 703 HZ PHE 89 HZ PHE 89 3.574 1.322 -2.916 704 H SER 90 H SER 90 2.390 -5.748 -7.452 705 HA SER 90 HA SER 90 1.649 -7.772 -5.500 706 HB2 SER 90 HB3 SER 90 2.116 -8.066 -8.465 707 HB3 SER 90 HB2 SER 90 1.504 -9.313 -7.397 708 HG SER 90 HG SER 90 -0.391 -8.517 -7.788 709 H PHE 91 H PHE 91 3.135 -9.001 -4.531 710 HA PHE 91 HA PHE 91 5.918 -8.625 -5.403 711 HB2 PHE 91 HB3 PHE 91 4.724 -9.337 -2.720 712 HB3 PHE 91 HB2 PHE 91 6.456 -9.274 -3.028 713 HD1 PHE 91 HD1 PHE 91 3.428 -7.119 -3.528 714 HD2 PHE 91 HD2 PHE 91 7.529 -7.339 -2.482 715 HE1 PHE 91 HE1 PHE 91 3.450 -4.707 -3.016 716 HE2 PHE 91 HE2 PHE 91 7.543 -4.950 -1.990 717 HZ PHE 91 HZ PHE 91 5.392 -3.599 -2.410 718 H ASN 92 H ASN 92 7.425 -10.416 -5.147 719 HA ASN 92 HA ASN 92 6.120 -12.821 -6.196 720 HB2 ASN 92 HB2 ASN 92 8.983 -11.869 -6.441 721 HB3 ASN 92 HB3 ASN 92 8.346 -13.344 -7.159 722 HD21 ASN 92 HD21 ASN 92 8.524 -9.898 -7.378 723 HD22 ASN 92 HD22 ASN 92 7.772 -9.755 -8.923 724 H ASN 93 H ASN 93 7.434 -11.724 -3.365 725 HA ASN 93 HA ASN 93 8.043 -14.441 -2.478 726 HB2 ASN 93 HB2 ASN 93 10.149 -13.275 -3.240 727 HB3 ASN 93 HB3 ASN 93 9.892 -12.116 -1.946 728 HD21 ASN 93 HD21 ASN 93 12.103 -13.953 -2.374 729 HD22 ASN 93 HD22 ASN 93 12.194 -14.939 -0.955 730 H ARG 94 H ARG 94 7.172 -14.853 -0.599 731 HA ARG 94 HA ARG 94 5.535 -13.090 0.821 732 HB2 ARG 94 HB2 ARG 94 5.308 -15.533 0.884 733 HB3 ARG 94 HB3 ARG 94 6.832 -15.650 1.735 734 HG2 ARG 94 HG2 ARG 94 5.133 -15.906 3.339 735 HG3 ARG 94 HG3 ARG 94 5.815 -14.292 3.565 736 HD2 ARG 94 HD2 ARG 94 3.991 -13.338 2.285 737 HD3 ARG 94 HD3 ARG 94 3.310 -14.941 2.034 738 HE ARG 94 HE ARG 94 3.685 -14.202 4.801 739 HH11 ARG 94 HH11 ARG 94 1.484 -14.167 2.071 740 HH12 ARG 94 HH12 ARG 94 0.064 -14.124 3.065 741 HH21 ARG 94 HH21 ARG 94 1.815 -14.115 6.100 742 HH22 ARG 94 HH22 ARG 94 0.252 -14.062 5.348 743 H THR 95 H THR 95 8.890 -13.934 1.177 744 HA THR 95 HA THR 95 9.202 -12.797 3.778 745 HB THR 95 HB THR 95 11.320 -13.462 1.730 746 HG1 THR 95 HG1 THR 95 10.843 -15.463 2.206 747 HG21 THR 95 HG21 THR 95 11.512 -13.185 4.722 748 HG22 THR 95 HG22 THR 95 11.986 -11.944 3.565 749 HG23 THR 95 HG23 THR 95 12.836 -13.490 3.597 750 H VAL 96 H VAL 96 10.538 -11.851 0.623 751 HA VAL 96 HA VAL 96 11.472 -9.355 1.085 752 HB VAL 96 HB VAL 96 9.790 -10.165 -1.308 753 HG11 VAL 96 HG21 VAL 96 11.817 -7.939 -1.013 754 HG12 VAL 96 HG22 VAL 96 10.070 -7.743 -1.145 755 HG13 VAL 96 HG23 VAL 96 10.989 -8.393 -2.502 756 HG21 VAL 96 HG13 VAL 96 11.926 -10.701 -2.373 757 HG22 VAL 96 HG11 VAL 96 11.704 -11.659 -0.910 758 HG23 VAL 96 HG12 VAL 96 12.789 -10.268 -0.898 759 H MET 97 H MET 97 8.072 -10.090 0.210 760 HA MET 97 HA MET 97 7.295 -7.377 0.427 761 HB2 MET 97 HB3 MET 97 5.094 -8.120 0.050 762 HB3 MET 97 HB2 MET 97 6.144 -9.197 -0.867 763 HG2 MET 97 HG3 MET 97 5.093 -10.892 0.061 764 HG3 MET 97 HG2 MET 97 5.789 -10.434 1.615 765 HE1 MET 97 HE1 MET 97 4.489 -8.510 3.167 766 HE2 MET 97 HE2 MET 97 4.335 -10.222 3.563 767 HE3 MET 97 HE3 MET 97 2.917 -9.172 3.615 768 H ASP 98 H ASP 98 7.569 -9.977 2.754 769 HA ASP 98 HA ASP 98 6.019 -8.688 4.801 770 HB2 ASP 98 HB2 ASP 98 6.427 -11.121 4.821 771 HB3 ASP 98 HB3 ASP 98 8.151 -10.824 5.040 772 H ASN 99 H ASN 99 9.203 -8.486 3.605 773 HA ASN 99 HA ASN 99 10.264 -7.027 5.868 774 HB2 ASN 99 HB2 ASN 99 11.363 -7.537 3.086 775 HB3 ASN 99 HB3 ASN 99 12.257 -6.778 4.392 776 HD21 ASN 99 HD21 ASN 99 12.570 -9.326 2.822 777 HD22 ASN 99 HD22 ASN 99 12.783 -10.529 4.040 778 H ILE 100 H ILE 100 9.253 -6.386 2.553 779 HA ILE 100 HA ILE 100 9.700 -3.629 2.458 780 HB ILE 100 HB ILE 100 7.539 -5.288 1.121 781 HG12 ILE 100 HG13 ILE 100 9.895 -5.863 0.560 782 HG13 ILE 100 HG12 ILE 100 8.994 -5.240 -0.818 783 HG21 ILE 100 HG21 ILE 100 7.029 -2.824 1.276 784 HG22 ILE 100 HG22 ILE 100 7.123 -3.480 -0.358 785 HG23 ILE 100 HG23 ILE 100 8.466 -2.551 0.294 786 HD11 ILE 100 HD11 ILE 100 11.011 -3.775 0.850 787 HD12 ILE 100 HD12 ILE 100 10.000 -3.017 -0.380 788 HD13 ILE 100 HD13 ILE 100 11.161 -4.268 -0.837 789 H LYS 101 H LYS 101 6.682 -5.379 3.412 790 HA LYS 101 HA LYS 101 5.179 -3.134 3.949 791 HB2 LYS 101 HB2 LYS 101 3.874 -4.695 5.403 792 HB3 LYS 101 HB3 LYS 101 4.070 -5.221 3.746 793 HG2 LYS 101 HG2 LYS 101 5.604 -6.821 4.340 794 HG3 LYS 101 HG3 LYS 101 5.937 -6.051 5.879 795 HD2 LYS 101 HD2 LYS 101 3.166 -6.893 5.602 796 HD3 LYS 101 HD3 LYS 101 4.310 -8.232 5.510 797 HE2 LYS 101 HE2 LYS 101 5.371 -7.004 7.579 798 HE3 LYS 101 HE3 LYS 101 3.736 -6.363 7.751 799 HZ1 LYS 101 HZ1 LYS 101 3.980 -8.366 9.041 800 HZ2 LYS 101 HZ2 LYS 101 4.501 -9.234 7.682 801 HZ3 LYS 101 HZ3 LYS 101 2.909 -8.657 7.761 802 H MET 102 H MET 102 7.440 -4.947 5.976 803 HA MET 102 HA MET 102 6.597 -3.621 8.379 804 HB2 MET 102 HB3 MET 102 8.217 -4.943 9.519 805 HB3 MET 102 HB2 MET 102 7.534 -5.973 8.272 806 HG2 MET 102 HG3 MET 102 9.728 -6.475 8.079 807 HG3 MET 102 HG2 MET 102 9.583 -5.196 6.886 808 HE1 MET 102 HE1 MET 102 10.862 -6.237 10.395 809 HE2 MET 102 HE2 MET 102 9.754 -4.938 10.835 810 HE3 MET 102 HE3 MET 102 11.491 -4.727 11.052 811 H THR 103 H THR 103 8.892 -3.084 5.886 812 HA THR 103 HA THR 103 10.541 -1.195 7.199 813 HB THR 103 HB THR 103 9.830 -1.571 4.283 814 HG1 THR 103 HG1 THR 103 11.092 -3.254 4.771 815 HG21 THR 103 HG21 THR 103 11.965 0.165 5.491 816 HG22 THR 103 HG22 THR 103 10.524 0.710 4.621 817 HG23 THR 103 HG23 THR 103 11.785 -0.205 3.772 818 H LEU 104 H LEU 104 7.757 -0.896 5.034 819 HA LEU 104 HA LEU 104 7.617 1.911 5.165 820 HB2 LEU 104 HB2 LEU 104 5.427 -0.065 4.539 821 HB3 LEU 104 HB3 LEU 104 5.381 1.640 4.179 822 HG LEU 104 HG LEU 104 7.525 -0.064 3.000 823 HD11 LEU 104 HD11 LEU 104 6.037 -0.318 1.016 824 HD12 LEU 104 HD12 LEU 104 4.699 0.166 2.060 825 HD13 LEU 104 HD13 LEU 104 5.608 -1.301 2.413 826 HD21 LEU 104 HD21 LEU 104 7.389 1.562 1.220 827 HD22 LEU 104 HD22 LEU 104 7.680 2.339 2.775 828 HD23 LEU 104 HD23 LEU 104 6.065 2.360 2.065 829 H GLN 105 H GLN 105 5.519 -0.552 6.648 830 HA GLN 105 HA GLN 105 3.911 1.116 8.129 831 HB2 GLN 105 HB2 GLN 105 4.856 -1.671 8.719 832 HB3 GLN 105 HB3 GLN 105 3.708 -0.841 9.759 833 HG2 GLN 105 HG2 GLN 105 2.186 -0.591 7.870 834 HG3 GLN 105 HG3 GLN 105 3.350 -1.417 6.841 835 HE21 GLN 105 HE21 GLN 105 3.538 -3.586 6.922 836 HE22 GLN 105 HE22 GLN 105 2.449 -4.601 7.796 837 H GLN 106 H GLN 106 7.233 0.280 8.825 838 HA GLN 106 HA GLN 106 7.226 1.026 11.547 839 HB2 GLN 106 HB2 GLN 106 9.235 0.608 9.438 840 HB3 GLN 106 HB3 GLN 106 9.720 1.612 10.778 841 HG2 GLN 106 HG2 GLN 106 9.135 -0.204 12.327 842 HG3 GLN 106 HG3 GLN 106 8.700 -1.207 10.943 843 HE21 GLN 106 HE21 GLN 106 10.299 -2.009 9.614 844 HE22 GLN 106 HE22 GLN 106 11.966 -2.028 10.082 845 H ILE 107 H ILE 107 7.829 2.681 8.546 846 HA ILE 107 HA ILE 107 8.293 5.307 9.532 847 HB ILE 107 HB ILE 107 7.122 4.394 6.891 848 HG12 ILE 107 HG13 ILE 107 10.026 4.979 7.373 849 HG13 ILE 107 HG12 ILE 107 9.372 3.373 7.644 850 HG21 ILE 107 HG21 ILE 107 6.828 6.748 7.277 851 HG22 ILE 107 HG22 ILE 107 8.027 6.480 6.017 852 HG23 ILE 107 HG23 ILE 107 8.546 6.934 7.638 853 HD11 ILE 107 HD11 ILE 107 10.294 3.362 5.489 854 HD12 ILE 107 HD12 ILE 107 9.558 4.911 5.079 855 HD13 ILE 107 HD13 ILE 107 8.552 3.477 5.256 856 H ILE 108 H ILE 108 5.407 3.588 8.387 857 HA ILE 108 HA ILE 108 3.739 5.880 8.448 858 HB ILE 108 HB ILE 108 2.718 3.066 8.717 859 HG12 ILE 108 HG13 ILE 108 4.198 4.362 6.489 860 HG13 ILE 108 HG12 ILE 108 4.217 2.691 7.003 861 HG21 ILE 108 HG21 ILE 108 1.667 5.399 7.123 862 HG22 ILE 108 HG22 ILE 108 1.168 5.036 8.771 863 HG23 ILE 108 HG23 ILE 108 0.841 3.881 7.482 864 HD11 ILE 108 HD11 ILE 108 1.945 2.449 6.007 865 HD12 ILE 108 HD12 ILE 108 3.244 2.780 4.861 866 HD13 ILE 108 HD13 ILE 108 2.144 4.073 5.340 867 H SER 109 H SER 109 4.052 3.141 10.722 868 HA SER 109 HA SER 109 2.456 4.156 12.773 869 HB2 SER 109 HB3 SER 109 3.447 1.856 12.676 870 HB3 SER 109 HB2 SER 109 5.006 2.556 13.105 871 HG SER 109 HG SER 109 3.581 1.662 14.843 872 H ARG 110 H ARG 110 5.633 5.033 11.721 873 HA ARG 110 HA ARG 110 6.427 6.534 13.996 874 HB2 ARG 110 HB2 ARG 110 7.358 6.156 11.223 875 HB3 ARG 110 HB3 ARG 110 7.890 7.616 11.996 876 HG2 ARG 110 HG2 ARG 110 8.889 6.273 13.774 877 HG3 ARG 110 HG3 ARG 110 8.293 4.822 12.958 878 HD2 ARG 110 HD2 ARG 110 9.578 5.421 10.970 879 HD3 ARG 110 HD3 ARG 110 10.196 6.834 11.802 880 HE ARG 110 HE ARG 110 10.862 4.682 13.392 881 HH11 ARG 110 HH11 ARG 110 11.492 5.717 10.108 882 HH12 ARG 110 HH12 ARG 110 13.008 4.894 9.996 883 HH21 ARG 110 HH21 ARG 110 12.866 3.577 13.249 884 HH22 ARG 110 HH22 ARG 110 13.801 3.678 11.791 885 H TYR 111 H TYR 111 4.552 7.173 11.139 886 HA TYR 111 HA TYR 111 4.491 10.004 11.732 887 HB2 TYR 111 HB3 TYR 111 3.701 8.378 9.373 888 HB3 TYR 111 HB2 TYR 111 3.012 9.982 9.585 889 HD1 TYR 111 HD2 TYR 111 4.643 11.948 9.883 890 HD2 TYR 111 HD1 TYR 111 5.820 8.119 8.519 891 HE1 TYR 111 HE2 TYR 111 6.712 12.922 8.970 892 HE2 TYR 111 HE1 TYR 111 7.899 9.062 7.598 893 HH TYR 111 HH TYR 111 8.924 12.269 8.310 894 H LYS 112 H LYS 112 2.483 7.192 12.038 895 HA LYS 112 HA LYS 112 0.061 8.625 12.538 896 HB2 LYS 112 HB2 LYS 112 0.892 5.784 13.195 897 HB3 LYS 112 HB3 LYS 112 -0.689 6.449 13.597 898 HG2 LYS 112 HG2 LYS 112 -1.419 6.238 11.506 899 HG3 LYS 112 HG3 LYS 112 0.085 6.871 10.827 900 HD2 LYS 112 HD2 LYS 112 0.005 4.661 10.080 901 HD3 LYS 112 HD3 LYS 112 1.108 4.622 11.443 902 HE2 LYS 112 HE2 LYS 112 -1.786 3.782 11.453 903 HE3 LYS 112 HE3 LYS 112 -0.377 2.740 11.464 904 HZ1 LYS 112 HZ1 LYS 112 -1.148 4.596 13.633 905 HZ2 LYS 112 HZ2 LYS 112 0.224 3.608 13.631 906 HZ3 LYS 112 HZ3 LYS 112 -1.315 2.915 13.655 907 H ASP 113 H ASP 113 2.843 7.774 14.394 908 HA ASP 113 HA ASP 113 1.812 8.363 16.964 909 HB2 ASP 113 HB2 ASP 113 3.917 7.195 16.759 910 HB3 ASP 113 HB3 ASP 113 4.613 8.516 15.830 911 H ALA 114 H ALA 114 2.641 10.266 14.259 912 HA ALA 114 HA ALA 114 2.512 12.730 15.872 913 HB1 ALA 114 HB1 ALA 114 4.659 12.451 14.736 914 HB2 ALA 114 HB2 ALA 114 3.772 13.834 14.095 915 HB3 ALA 114 HB3 ALA 114 3.826 12.324 13.186 916 H ASP 115 H ASP 115 0.338 11.053 14.693 917 HA ASP 115 HA ASP 115 -0.821 13.019 12.836 918 HB2 ASP 115 HB2 ASP 115 -0.541 10.845 11.790 919 HB3 ASP 115 HB3 ASP 115 -1.392 10.063 13.115 920 H1 GLY 242 H1 GLY 242 -4.863 -10.688 14.373 921 H2 GLY 242 H2 GLY 242 -6.075 -11.857 14.231 922 H3 GLY 242 H3 GLY 242 -5.144 -11.769 15.640 923 HA2 GLY 242 HA2 GLY 242 -7.057 -9.716 14.682 924 HA3 GLY 242 HA3 GLY 242 -7.322 -10.822 16.022 925 H GLY 243 H GLY 243 -5.314 -10.752 17.627 926 HA2 GLY 243 HA3 GLY 243 -3.925 -9.509 19.002 927 HA3 GLY 243 HA2 GLY 243 -4.120 -8.140 17.918 928 H GLY 244 H GLY 244 -5.027 -6.460 18.874 929 HA2 GLY 244 HA3 GLY 244 -6.643 -6.814 21.259 930 HA3 GLY 244 HA2 GLY 244 -6.114 -5.285 20.569 931 H GLY 245 H GLY 245 -8.096 -8.037 19.512 932 HA2 GLY 245 HA3 GLY 245 -10.058 -6.087 18.492 933 HA3 GLY 245 HA2 GLY 245 -9.813 -7.697 17.830 934 H TYR 246 H TYR 246 -12.234 -6.393 18.874 935 HA TYR 246 HA TYR 246 -12.854 -7.771 21.328 936 HB2 TYR 246 HB3 TYR 246 -13.772 -5.509 20.711 937 HB3 TYR 246 HB2 TYR 246 -14.729 -6.300 19.466 938 HD1 TYR 246 HD1 TYR 246 -14.040 -6.770 23.118 939 HD2 TYR 246 HD2 TYR 246 -16.934 -6.654 20.003 940 HE1 TYR 246 HE1 TYR 246 -15.822 -7.161 24.767 941 HE2 TYR 246 HE2 TYR 246 -18.722 -7.043 21.642 942 HH TYR 246 HH TYR 246 -18.937 -8.072 23.926 943 H ASP 247 H ASP 247 -13.069 -8.311 17.979 944 HA ASP 247 HA ASP 247 -14.252 -10.940 18.492 945 HB2 ASP 247 HB2 ASP 247 -15.505 -10.835 16.379 946 HB3 ASP 247 HB3 ASP 247 -16.027 -9.577 17.491 947 H VAL 248 H VAL 248 -13.495 -12.596 17.104 948 HA VAL 248 HA VAL 248 -10.806 -12.008 16.113 949 HB VAL 248 HB VAL 248 -11.240 -13.887 17.740 950 HG11 VAL 248 HG21 VAL 248 -12.487 -15.198 15.333 951 HG12 VAL 248 HG22 VAL 248 -13.302 -14.748 16.830 952 HG13 VAL 248 HG23 VAL 248 -12.074 -16.013 16.841 953 HG21 VAL 248 HG13 VAL 248 -9.948 -14.631 15.121 954 HG22 VAL 248 HG11 VAL 248 -9.693 -15.446 16.665 955 HG23 VAL 248 HG12 VAL 248 -9.181 -13.771 16.457 956 H GLU 249 H GLU 249 -13.705 -11.801 14.858 957 HA GLU 249 HA GLU 249 -13.505 -13.379 12.479 958 HB2 GLU 249 HB2 GLU 249 -15.655 -12.646 13.566 959 HB3 GLU 249 HB3 GLU 249 -15.303 -11.012 13.036 960 HG2 GLU 249 HG3 GLU 249 -15.561 -13.315 11.126 961 HG3 GLU 249 HG2 GLU 249 -16.934 -12.339 11.640 962 H MET 250 H MET 250 -12.251 -12.934 10.826 963 HA MET 250 HA MET 250 -12.045 -10.244 9.790 964 HB2 MET 250 HB3 MET 250 -10.178 -10.453 11.477 965 HB3 MET 250 HB2 MET 250 -9.519 -11.757 10.502 966 HG2 MET 250 HG3 MET 250 -9.246 -10.209 8.625 967 HG3 MET 250 HG2 MET 250 -9.894 -8.903 9.616 968 HE1 MET 250 HE1 MET 250 -8.614 -9.367 12.452 969 HE2 MET 250 HE2 MET 250 -8.658 -7.805 11.635 970 HE3 MET 250 HE3 MET 250 -7.144 -8.402 12.316 971 H GLU 251 H GLU 251 -13.374 -12.418 8.801 972 HA GLU 251 HA GLU 251 -11.602 -13.890 7.032 973 HB2 GLU 251 HB2 GLU 251 -13.402 -15.020 8.310 974 HB3 GLU 251 HB3 GLU 251 -14.591 -14.156 7.357 975 HG2 GLU 251 HG3 GLU 251 -12.545 -15.802 5.958 976 HG3 GLU 251 HG2 GLU 251 -13.877 -16.610 6.776 977 H SER 252 H SER 252 -11.060 -13.081 5.227 978 HA SER 252 HA SER 252 -13.094 -11.837 3.515 979 HB2 SER 252 HB3 SER 252 -10.278 -10.863 4.012 980 HB3 SER 252 HB2 SER 252 -11.224 -10.363 2.610 981 HG SER 252 HG SER 252 -12.875 -9.725 4.205 982 H GLU 253 H GLU 253 -11.757 -14.516 3.852 983 HA GLU 253 HA GLU 253 -10.097 -14.899 1.552 984 HB2 GLU 253 HB2 GLU 253 -11.531 -16.952 3.249 985 HB3 GLU 253 HB3 GLU 253 -10.216 -17.271 2.124 986 HG2 GLU 253 HG3 GLU 253 -8.709 -15.931 3.489 987 HG3 GLU 253 HG2 GLU 253 -10.027 -15.579 4.605 988 H GLU 254 H GLU 254 -13.487 -15.389 2.370 989 HA GLU 254 HA GLU 254 -14.193 -16.573 -0.136 990 HB2 GLU 254 HB2 GLU 254 -15.846 -15.215 1.997 991 HB3 GLU 254 HB3 GLU 254 -16.539 -15.971 0.571 992 HG2 GLU 254 HG3 GLU 254 -14.962 -17.328 2.736 993 HG3 GLU 254 HG2 GLU 254 -16.694 -17.458 2.431 994 H GLU 255 H GLU 255 -13.728 -13.364 1.015 995 HA GLU 255 HA GLU 255 -15.185 -12.074 -1.101 996 HB2 GLU 255 HB2 GLU 255 -13.157 -10.890 0.795 997 HB3 GLU 255 HB3 GLU 255 -14.325 -10.005 -0.176 998 HG2 GLU 255 HG3 GLU 255 -16.143 -11.092 1.086 999 HG3 GLU 255 HG2 GLU 255 -14.932 -11.874 2.098 1000 H SER 256 H SER 256 -11.749 -12.416 -0.249 1001 HA SER 256 HA SER 256 -10.929 -12.722 -2.943 1002 HB2 SER 256 HB3 SER 256 -9.668 -10.577 -3.107 1003 HB3 SER 256 HB2 SER 256 -11.416 -10.351 -3.049 1004 HG SER 256 HG SER 256 -9.940 -10.301 -0.664 1005 H ASP 257 H ASP 257 -9.620 -14.387 -2.319 1006 HA ASP 257 HA ASP 257 -7.829 -14.171 -0.082 1007 HB2 ASP 257 HB2 ASP 257 -6.890 -16.317 -0.981 1008 HB3 ASP 257 HB3 ASP 257 -8.602 -16.373 -0.586 1009 H ASP 258 H ASP 258 -7.665 -13.689 -3.504 1010 HA ASP 258 HA ASP 258 -4.848 -13.275 -3.660 1011 HB2 ASP 258 HB2 ASP 258 -7.110 -12.452 -5.479 1012 HB3 ASP 258 HB3 ASP 258 -5.429 -12.066 -5.823 1013 H ASP 259 H ASP 259 -7.164 -11.527 -2.084 1014 HA ASP 259 HA ASP 259 -5.489 -9.127 -2.155 1015 HB2 ASP 259 HB2 ASP 259 -8.524 -9.082 -2.091 1016 HB3 ASP 259 HB3 ASP 259 -7.460 -7.683 -2.090 1017 H GLY 260 H GLY 260 -7.541 -7.934 -0.296 1018 HA2 GLY 260 HA3 GLY 260 -8.127 -7.929 1.913 1019 HA3 GLY 260 HA2 GLY 260 -7.738 -9.642 1.970 1020 H PHE 261 H PHE 261 -5.555 -7.053 1.059 1021 HA PHE 261 HA PHE 261 -3.565 -7.988 2.863 1022 HB2 PHE 261 HB3 PHE 261 -3.554 -5.328 1.440 1023 HB3 PHE 261 HB2 PHE 261 -2.171 -6.286 1.957 1024 HD1 PHE 261 HD2 PHE 261 -3.294 -8.967 0.924 1025 HD2 PHE 261 HD1 PHE 261 -2.915 -5.115 -0.822 1026 HE1 PHE 261 HE2 PHE 261 -3.231 -9.991 -1.307 1027 HE2 PHE 261 HE1 PHE 261 -2.852 -6.132 -3.059 1028 HZ PHE 261 HZ PHE 261 -3.013 -8.571 -3.303 1029 H VAL 262 H VAL 262 -2.919 -7.160 4.803 1030 HA VAL 262 HA VAL 262 -4.552 -4.981 5.936 1031 HB VAL 262 HB VAL 262 -4.616 -6.165 8.082 1032 HG11 VAL 262 HG21 VAL 262 -6.195 -7.949 7.474 1033 HG12 VAL 262 HG22 VAL 262 -5.684 -7.809 5.791 1034 HG13 VAL 262 HG23 VAL 262 -6.496 -6.457 6.581 1035 HG21 VAL 262 HG13 VAL 262 -3.948 -8.539 8.207 1036 HG22 VAL 262 HG11 VAL 262 -2.583 -7.462 7.900 1037 HG23 VAL 262 HG12 VAL 262 -3.271 -8.409 6.582 1038 H GLU 263 H GLU 263 -3.552 -4.024 7.903 1039 HA GLU 263 HA GLU 263 -0.650 -3.930 7.654 1040 HB2 GLU 263 HB2 GLU 263 -0.806 -2.047 9.284 1041 HB3 GLU 263 HB3 GLU 263 -1.675 -1.769 7.784 1042 HG2 GLU 263 HG3 GLU 263 -3.763 -2.087 8.821 1043 HG3 GLU 263 HG2 GLU 263 -3.024 -2.754 10.280 1044 H VAL 264 H VAL 264 0.750 -4.487 9.281 1045 HA VAL 264 HA VAL 264 -0.338 -6.381 11.197 1046 HB VAL 264 HB VAL 264 1.562 -7.137 9.876 1047 HG11 VAL 264 HG21 VAL 264 2.668 -5.003 9.475 1048 HG12 VAL 264 HG22 VAL 264 3.795 -6.183 10.143 1049 HG13 VAL 264 HG23 VAL 264 3.134 -4.914 11.173 1050 HG21 VAL 264 HG13 VAL 264 2.225 -6.742 12.792 1051 HG22 VAL 264 HG11 VAL 264 3.038 -7.880 11.717 1052 HG23 VAL 264 HG12 VAL 264 1.324 -8.081 12.081 1053 H ASP 265 H ASP 265 -1.079 -5.492 12.980 1054 HA ASP 265 HA ASP 265 0.395 -3.292 14.222 1055 HB2 ASP 265 HB2 ASP 265 -1.598 -2.922 15.581 1056 HB3 ASP 265 HB3 ASP 265 -2.020 -2.936 13.886 Start of MODEL 12 1 H2 PRO 1 H2 PRO 1 14.691 -8.448 1.455 2 H3 PRO 1 H3 PRO 1 13.937 -7.056 1.045 3 HA PRO 1 HA PRO 1 16.415 -7.458 2.104 4 HB2 PRO 1 HB3 PRO 1 16.724 -5.555 -0.144 5 HB3 PRO 1 HB2 PRO 1 17.907 -6.658 0.582 6 HG2 PRO 1 HG3 PRO 1 16.768 -7.227 -1.763 7 HG3 PRO 1 HG2 PRO 1 17.105 -8.494 -0.571 8 HD2 PRO 1 HD2 PRO 1 14.503 -7.155 -1.229 9 HD3 PRO 1 HD3 PRO 1 14.832 -8.863 -0.895 10 H SER 2 H SER 2 14.513 -6.651 3.403 11 HA SER 2 HA SER 2 13.351 -5.058 4.500 12 HB2 SER 2 HB3 SER 2 14.885 -3.262 5.420 13 HB3 SER 2 HB2 SER 2 15.369 -4.928 5.697 14 HG SER 2 HG SER 2 16.901 -4.748 4.100 15 H HIS 3 H HIS 3 15.402 -2.567 3.108 16 HA HIS 3 HA HIS 3 12.988 -1.030 2.617 17 HB2 HIS 3 HB3 HIS 3 15.925 -0.394 2.689 18 HB3 HIS 3 HB2 HIS 3 14.807 0.738 1.949 19 HD1 HIS 3 HD1 HIS 3 15.371 -0.958 5.312 20 HD2 HIS 3 HD2 HIS 3 13.689 2.479 3.685 21 HE1 HIS 3 HE1 HIS 3 14.698 0.462 7.270 22 HE2 HIS 3 HE2 HIS 3 13.883 2.626 6.264 23 H SER 4 H SER 4 14.014 -3.287 0.799 24 HA SER 4 HA SER 4 13.205 -2.010 -1.625 25 HB2 SER 4 HB3 SER 4 15.243 -2.401 -2.924 26 HB3 SER 4 HB2 SER 4 15.547 -1.291 -1.588 27 HG SER 4 HG SER 4 16.125 -3.426 -0.450 28 H GLY 5 H GLY 5 12.708 -3.468 -3.266 29 HA2 GLY 5 HA3 GLY 5 13.370 -6.174 -3.390 30 HA3 GLY 5 HA2 GLY 5 11.892 -6.038 -2.440 31 H ALA 6 H ALA 6 12.290 -7.214 -5.133 32 HA ALA 6 HA ALA 6 11.294 -5.298 -7.010 33 HB1 ALA 6 HB1 ALA 6 11.488 -8.285 -7.342 34 HB2 ALA 6 HB2 ALA 6 12.787 -7.135 -7.672 35 HB3 ALA 6 HB3 ALA 6 11.302 -7.080 -8.619 36 H ALA 7 H ALA 7 9.206 -5.006 -7.744 37 HA ALA 7 HA ALA 7 7.108 -6.837 -6.839 38 HB1 ALA 7 HB1 ALA 7 5.667 -5.012 -6.087 39 HB2 ALA 7 HB2 ALA 7 6.967 -3.858 -6.393 40 HB3 ALA 7 HB3 ALA 7 7.157 -5.084 -5.140 41 H ILE 8 H ILE 8 5.076 -6.496 -7.931 42 HA ILE 8 HA ILE 8 5.441 -5.533 -10.695 43 HB ILE 8 HB ILE 8 3.531 -7.579 -9.511 44 HG12 ILE 8 HG13 ILE 8 4.603 -9.088 -11.234 45 HG13 ILE 8 HG12 ILE 8 5.800 -7.834 -11.494 46 HG21 ILE 8 HG21 ILE 8 2.669 -7.883 -11.784 47 HG22 ILE 8 HG22 ILE 8 3.648 -6.517 -12.322 48 HG23 ILE 8 HG23 ILE 8 2.356 -6.268 -11.149 49 HD11 ILE 8 HD11 ILE 8 5.304 -9.298 -8.916 50 HD12 ILE 8 HD12 ILE 8 6.506 -8.031 -9.167 51 HD13 ILE 8 HD13 ILE 8 6.645 -9.563 -10.031 52 H PHE 9 H PHE 9 4.307 -3.811 -11.324 53 HA PHE 9 HA PHE 9 2.120 -2.954 -9.564 54 HB2 PHE 9 HB3 PHE 9 4.034 -1.458 -9.401 55 HB3 PHE 9 HB2 PHE 9 4.058 -1.261 -11.146 56 HD1 PHE 9 HD1 PHE 9 1.969 -0.634 -8.144 57 HD2 PHE 9 HD2 PHE 9 2.863 0.451 -12.158 58 HE1 PHE 9 HE1 PHE 9 0.510 1.332 -7.934 59 HE2 PHE 9 HE2 PHE 9 1.398 2.416 -11.957 60 HZ PHE 9 HZ PHE 9 0.220 2.860 -9.842 61 H GLU 10 H GLU 10 0.335 -3.631 -10.610 62 HA GLU 10 HA GLU 10 -1.295 -3.811 -12.183 63 HB2 GLU 10 HB2 GLU 10 0.090 -1.464 -13.486 64 HB3 GLU 10 HB3 GLU 10 -1.556 -2.004 -13.796 65 HG2 GLU 10 HG3 GLU 10 -2.031 -1.565 -11.366 66 HG3 GLU 10 HG2 GLU 10 -0.462 -0.766 -11.293 67 H LYS 11 H LYS 11 0.619 -5.567 -12.449 68 HA LYS 11 HA LYS 11 0.934 -7.308 -13.844 69 HB2 LYS 11 HB2 LYS 11 -0.068 -5.612 -16.112 70 HB3 LYS 11 HB3 LYS 11 0.103 -7.365 -16.091 71 HG2 LYS 11 HG2 LYS 11 -1.700 -5.803 -14.292 72 HG3 LYS 11 HG3 LYS 11 -2.219 -6.618 -15.754 73 HD2 LYS 11 HD2 LYS 11 -1.899 -8.694 -14.817 74 HD3 LYS 11 HD3 LYS 11 -0.828 -8.084 -13.573 75 HE2 LYS 11 HE2 LYS 11 -2.744 -6.878 -12.600 76 HE3 LYS 11 HE3 LYS 11 -3.793 -7.641 -13.791 77 HZ1 LYS 11 HZ1 LYS 11 -2.213 -9.033 -11.696 78 HZ2 LYS 11 HZ2 LYS 11 -3.129 -9.809 -12.883 79 HZ3 LYS 11 HZ3 LYS 11 -3.893 -8.841 -11.723 80 H VAL 12 H VAL 12 2.486 -4.308 -14.224 81 HA VAL 12 HA VAL 12 4.567 -5.582 -15.850 82 HB VAL 12 HB VAL 12 4.366 -3.419 -16.682 83 HG11 VAL 12 HG21 VAL 12 4.226 -2.387 -13.858 84 HG12 VAL 12 HG22 VAL 12 2.880 -2.510 -14.993 85 HG13 VAL 12 HG23 VAL 12 4.210 -1.397 -15.317 86 HG21 VAL 12 HG13 VAL 12 6.681 -3.861 -16.277 87 HG22 VAL 12 HG11 VAL 12 6.531 -3.370 -14.587 88 HG23 VAL 12 HG12 VAL 12 6.380 -2.170 -15.878 89 H SER 13 H SER 13 6.310 -6.432 -15.027 90 HA SER 13 HA SER 13 6.693 -6.445 -12.188 91 HB2 SER 13 HB3 SER 13 8.712 -7.894 -12.829 92 HB3 SER 13 HB2 SER 13 7.114 -8.522 -13.232 93 HG SER 13 HG SER 13 7.427 -7.960 -15.352 94 H GLY 14 H GLY 14 7.929 -5.184 -11.032 95 HA2 GLY 14 HA3 GLY 14 10.233 -3.889 -12.250 96 HA3 GLY 14 HA2 GLY 14 9.004 -2.860 -11.543 97 H ILE 15 H ILE 15 10.567 -2.073 -10.058 98 HA ILE 15 HA ILE 15 11.127 -3.946 -7.894 99 HB ILE 15 HB ILE 15 12.978 -1.701 -8.585 100 HG12 ILE 15 HG13 ILE 15 12.738 -3.300 -10.501 101 HG13 ILE 15 HG12 ILE 15 14.351 -3.154 -9.854 102 HG21 ILE 15 HG21 ILE 15 14.604 -3.074 -7.330 103 HG22 ILE 15 HG22 ILE 15 13.321 -4.231 -6.987 104 HG23 ILE 15 HG23 ILE 15 13.219 -2.589 -6.353 105 HD11 ILE 15 HD11 ILE 15 14.137 -5.279 -8.766 106 HD12 ILE 15 HD12 ILE 15 13.751 -5.422 -10.486 107 HD13 ILE 15 HD13 ILE 15 12.454 -5.395 -9.287 108 H ILE 16 H ILE 16 11.277 -3.025 -5.811 109 HA ILE 16 HA ILE 16 10.050 -0.366 -5.548 110 HB ILE 16 HB ILE 16 9.039 -2.894 -4.640 111 HG12 ILE 16 HG13 ILE 16 8.035 -0.080 -4.212 112 HG13 ILE 16 HG12 ILE 16 7.800 -1.014 -5.683 113 HG21 ILE 16 HG21 ILE 16 10.280 -2.508 -2.575 114 HG22 ILE 16 HG22 ILE 16 8.546 -2.332 -2.302 115 HG23 ILE 16 HG23 ILE 16 9.568 -0.900 -2.434 116 HD11 ILE 16 HD11 ILE 16 6.497 -2.653 -4.453 117 HD12 ILE 16 HD12 ILE 16 5.821 -1.034 -4.256 118 HD13 ILE 16 HD13 ILE 16 6.770 -1.759 -2.958 119 H ALA 17 H ALA 17 11.129 0.995 -4.284 120 HA ALA 17 HA ALA 17 13.022 -0.107 -2.332 121 HB1 ALA 17 HB1 ALA 17 13.652 2.009 -4.381 122 HB2 ALA 17 HB2 ALA 17 14.383 0.405 -4.210 123 HB3 ALA 17 HB3 ALA 17 14.666 1.637 -2.982 124 H ILE 18 H ILE 18 12.249 0.563 -0.460 125 HA ILE 18 HA ILE 18 11.119 3.188 -0.069 126 HB ILE 18 HB ILE 18 11.946 1.255 2.088 127 HG12 ILE 18 HG13 ILE 18 9.293 0.938 2.046 128 HG13 ILE 18 HG12 ILE 18 9.542 1.267 0.336 129 HG21 ILE 18 HG21 ILE 18 11.583 3.581 2.783 130 HG22 ILE 18 HG22 ILE 18 10.358 2.495 3.455 131 HG23 ILE 18 HG23 ILE 18 9.961 3.528 2.082 132 HD11 ILE 18 HD11 ILE 18 9.538 -1.107 0.829 133 HD12 ILE 18 HD12 ILE 18 10.916 -0.890 1.903 134 HD13 ILE 18 HD13 ILE 18 11.082 -0.575 0.175 135 H ASN 19 H ASN 19 12.420 4.913 0.280 136 HA ASN 19 HA ASN 19 15.067 4.420 1.470 137 HB2 ASN 19 HB2 ASN 19 15.680 4.967 -0.697 138 HB3 ASN 19 HB3 ASN 19 14.290 6.020 -0.929 139 HD21 ASN 19 HD21 ASN 19 14.396 8.131 -0.320 140 HD22 ASN 19 HD22 ASN 19 15.868 8.910 0.151 141 H GLU 20 H GLU 20 15.260 5.388 3.431 142 HA GLU 20 HA GLU 20 13.861 7.974 3.578 143 HB2 GLU 20 HB2 GLU 20 15.234 6.537 5.861 144 HB3 GLU 20 HB3 GLU 20 14.056 7.834 5.958 145 HG2 GLU 20 HG3 GLU 20 12.278 6.434 5.464 146 HG3 GLU 20 HG2 GLU 20 13.329 5.195 4.789 147 H ASP 21 H ASP 21 15.643 8.603 2.063 148 HA ASP 21 HA ASP 21 17.674 9.944 3.717 149 HB2 ASP 21 HB2 ASP 21 18.771 8.674 1.950 150 HB3 ASP 21 HB3 ASP 21 17.672 9.328 0.745 151 H VAL 22 H VAL 22 14.768 9.997 2.389 152 HA VAL 22 HA VAL 22 14.969 12.435 0.789 153 HB VAL 22 HB VAL 22 14.310 10.253 -0.204 154 HG11 VAL 22 HG21 VAL 22 13.168 9.440 1.853 155 HG12 VAL 22 HG22 VAL 22 12.299 9.133 0.353 156 HG13 VAL 22 HG23 VAL 22 11.791 10.448 1.412 157 HG21 VAL 22 HG13 VAL 22 12.223 12.411 -0.269 158 HG22 VAL 22 HG11 VAL 22 12.131 10.949 -1.262 159 HG23 VAL 22 HG12 VAL 22 13.490 12.073 -1.449 160 H SER 23 H SER 23 12.833 13.660 0.643 161 HA SER 23 HA SER 23 11.686 14.653 2.956 162 HB2 SER 23 HB3 SER 23 10.202 14.235 0.367 163 HB3 SER 23 HB2 SER 23 10.011 15.550 1.518 164 HG SER 23 HG SER 23 12.035 16.326 0.928 165 HA PRO 24 HA PRO 24 9.421 12.000 5.212 166 HB2 PRO 24 HB3 PRO 24 6.746 11.771 4.468 167 HB3 PRO 24 HB2 PRO 24 7.390 12.999 5.563 168 HG2 PRO 24 HG3 PRO 24 6.923 13.167 2.603 169 HG3 PRO 24 HG2 PRO 24 6.450 14.322 3.855 170 HD2 PRO 24 HD2 PRO 24 8.597 14.844 2.464 171 HD3 PRO 24 HD3 PRO 24 8.738 14.952 4.237 172 H ALA 25 H ALA 25 9.452 9.808 5.233 173 HA ALA 25 HA ALA 25 10.972 8.796 3.319 174 HB1 ALA 25 HB1 ALA 25 10.794 6.681 4.203 175 HB2 ALA 25 HB2 ALA 25 9.107 6.905 4.654 176 HB3 ALA 25 HB3 ALA 25 10.374 7.745 5.549 177 H GLU 26 H GLU 26 10.940 7.647 1.522 178 HA GLU 26 HA GLU 26 8.385 7.578 0.174 179 HB2 GLU 26 HB2 GLU 26 10.885 8.947 -0.741 180 HB3 GLU 26 HB3 GLU 26 9.830 8.208 -1.944 181 HG2 GLU 26 HG3 GLU 26 7.967 9.551 -1.160 182 HG3 GLU 26 HG2 GLU 26 8.988 10.261 0.089 183 H LEU 27 H LEU 27 7.963 5.913 -1.061 184 HA LEU 27 HA LEU 27 9.963 3.765 -1.366 185 HB2 LEU 27 HB2 LEU 27 7.918 2.985 -0.399 186 HB3 LEU 27 HB3 LEU 27 6.948 3.907 -1.517 187 HG LEU 27 HG LEU 27 8.634 1.568 -2.420 188 HD11 LEU 27 HD11 LEU 27 7.090 0.852 -0.671 189 HD12 LEU 27 HD12 LEU 27 6.625 0.222 -2.251 190 HD13 LEU 27 HD13 LEU 27 5.756 1.595 -1.558 191 HD21 LEU 27 HD21 LEU 27 7.054 1.496 -4.289 192 HD22 LEU 27 HD22 LEU 27 7.821 3.078 -4.194 193 HD23 LEU 27 HD23 LEU 27 6.171 2.865 -3.615 194 H THR 28 H THR 28 10.472 3.099 -3.457 195 HA THR 28 HA THR 28 9.289 4.723 -5.586 196 HB THR 28 HB THR 28 12.231 4.083 -5.464 197 HG1 THR 28 HG1 THR 28 11.537 5.587 -3.798 198 HG21 THR 28 HG21 THR 28 10.530 5.871 -7.193 199 HG22 THR 28 HG22 THR 28 11.411 4.418 -7.693 200 HG23 THR 28 HG23 THR 28 12.299 5.863 -7.207 201 H TRP 29 H TRP 29 8.188 3.310 -6.748 202 HA TRP 29 HA TRP 29 9.286 0.668 -7.243 203 HB2 TRP 29 HB3 TRP 29 6.852 0.897 -6.943 204 HB3 TRP 29 HB2 TRP 29 6.786 1.958 -8.347 205 HD1 TRP 29 HD1 TRP 29 7.436 -1.733 -7.445 206 HE1 TRP 29 HE1 TRP 29 7.022 -3.169 -9.539 207 HE3 TRP 29 HE3 TRP 29 6.652 2.003 -10.841 208 HZ2 TRP 29 HZ2 TRP 29 6.443 -2.766 -12.269 209 HZ3 TRP 29 HZ3 TRP 29 6.170 1.389 -13.169 210 HH2 TRP 29 HH2 TRP 29 6.070 -0.943 -13.870 211 H ARG 30 H ARG 30 10.885 0.594 -8.560 212 HA ARG 30 HA ARG 30 10.812 2.183 -11.029 213 HB2 ARG 30 HB2 ARG 30 12.707 2.791 -9.681 214 HB3 ARG 30 HB3 ARG 30 13.108 1.102 -9.394 215 HG2 ARG 30 HG2 ARG 30 13.059 1.850 -12.208 216 HG3 ARG 30 HG3 ARG 30 14.278 2.702 -11.256 217 HD2 ARG 30 HD2 ARG 30 15.159 0.612 -10.454 218 HD3 ARG 30 HD3 ARG 30 13.900 -0.296 -11.280 219 HE ARG 30 HE ARG 30 15.516 1.345 -13.021 220 HH11 ARG 30 HH11 ARG 30 15.228 -1.760 -11.457 221 HH12 ARG 30 HH12 ARG 30 16.280 -2.576 -12.567 222 HH21 ARG 30 HH21 ARG 30 16.912 0.283 -14.508 223 HH22 ARG 30 HH22 ARG 30 17.239 -1.410 -14.305 224 H SER 31 H SER 31 10.252 0.990 -12.738 225 HA SER 31 HA SER 31 9.883 -1.761 -12.679 226 HB2 SER 31 HB3 SER 31 9.699 -1.590 -15.159 227 HB3 SER 31 HB2 SER 31 8.752 -0.363 -14.317 228 HG SER 31 HG SER 31 10.453 1.114 -14.708 229 H THR 32 H THR 32 11.023 -3.471 -13.455 230 HA THR 32 HA THR 32 13.752 -3.544 -12.924 231 HB THR 32 HB THR 32 12.225 -5.465 -14.698 232 HG1 THR 32 HG1 THR 32 12.562 -5.474 -11.862 233 HG21 THR 32 HG21 THR 32 14.665 -5.827 -12.949 234 HG22 THR 32 HG22 THR 32 14.645 -5.819 -14.713 235 HG23 THR 32 HG23 THR 32 13.837 -7.111 -13.827 236 H ASP 33 H ASP 33 12.031 -2.738 -15.847 237 HA ASP 33 HA ASP 33 14.202 -3.008 -17.654 238 HB2 ASP 33 HB2 ASP 33 11.657 -1.398 -17.885 239 HB3 ASP 33 HB3 ASP 33 12.724 -1.847 -19.194 240 H GLY 34 H GLY 34 13.089 -0.550 -15.474 241 HA2 GLY 34 HA3 GLY 34 14.282 1.388 -14.870 242 HA3 GLY 34 HA2 GLY 34 15.224 1.243 -16.348 243 H ASP 35 H ASP 35 11.964 0.781 -16.936 244 HA ASP 35 HA ASP 35 11.849 3.267 -18.398 245 HB2 ASP 35 HB2 ASP 35 11.124 1.276 -19.536 246 HB3 ASP 35 HB3 ASP 35 9.971 0.934 -18.256 247 H LYS 36 H LYS 36 9.356 1.658 -16.479 248 HA LYS 36 HA LYS 36 8.238 4.231 -15.772 249 HB2 LYS 36 HB2 LYS 36 7.341 1.395 -15.450 250 HB3 LYS 36 HB3 LYS 36 6.599 2.665 -14.485 251 HG2 LYS 36 HG2 LYS 36 5.659 3.692 -16.307 252 HG3 LYS 36 HG3 LYS 36 6.819 2.986 -17.425 253 HD2 LYS 36 HD2 LYS 36 4.683 1.915 -17.747 254 HD3 LYS 36 HD3 LYS 36 5.787 0.761 -16.994 255 HE2 LYS 36 HE2 LYS 36 3.688 0.561 -15.887 256 HE3 LYS 36 HE3 LYS 36 4.790 1.378 -14.783 257 HZ1 LYS 36 HZ1 LYS 36 2.590 2.403 -14.828 258 HZ2 LYS 36 HZ2 LYS 36 2.756 2.722 -16.479 259 HZ3 LYS 36 HZ3 LYS 36 3.779 3.481 -15.366 260 H VAL 37 H VAL 37 8.149 5.123 -13.849 261 HA VAL 37 HA VAL 37 9.279 3.729 -11.514 262 HB VAL 37 HB VAL 37 10.046 6.543 -12.363 263 HG11 VAL 37 HG21 VAL 37 10.840 4.991 -9.901 264 HG12 VAL 37 HG22 VAL 37 9.731 6.362 -9.939 265 HG13 VAL 37 HG23 VAL 37 11.428 6.588 -10.359 266 HG21 VAL 37 HG13 VAL 37 12.318 5.666 -12.492 267 HG22 VAL 37 HG11 VAL 37 11.249 4.788 -13.585 268 HG23 VAL 37 HG12 VAL 37 11.736 4.059 -12.053 269 H HIS 38 H HIS 38 7.973 3.934 -9.798 270 HA HIS 38 HA HIS 38 5.982 6.108 -9.753 271 HB2 HIS 38 HB3 HIS 38 5.169 3.781 -10.542 272 HB3 HIS 38 HB2 HIS 38 5.372 3.322 -8.854 273 HD1 HIS 38 HD1 HIS 38 3.080 5.021 -11.166 274 HD2 HIS 38 HD2 HIS 38 3.609 4.733 -7.055 275 HE1 HIS 38 HE1 HIS 38 0.938 5.851 -10.153 276 HE2 HIS 38 HE2 HIS 38 1.407 5.934 -7.681 277 H THR 39 H THR 39 6.405 7.285 -7.952 278 HA THR 39 HA THR 39 7.706 5.911 -5.710 279 HB THR 39 HB THR 39 7.452 8.888 -6.186 280 HG1 THR 39 HG1 THR 39 8.752 8.266 -7.806 281 HG21 THR 39 HG21 THR 39 9.251 9.073 -4.573 282 HG22 THR 39 HG22 THR 39 9.318 7.317 -4.413 283 HG23 THR 39 HG23 THR 39 7.894 8.201 -3.857 284 H VAL 40 H VAL 40 6.848 5.923 -3.628 285 HA VAL 40 HA VAL 40 4.194 7.179 -3.240 286 HB VAL 40 HB VAL 40 5.376 4.669 -2.058 287 HG11 VAL 40 HG21 VAL 40 4.355 5.772 -0.222 288 HG12 VAL 40 HG22 VAL 40 3.237 4.520 -0.766 289 HG13 VAL 40 HG23 VAL 40 2.950 6.206 -1.191 290 HG21 VAL 40 HG13 VAL 40 4.132 4.730 -4.312 291 HG22 VAL 40 HG11 VAL 40 2.687 4.955 -3.320 292 HG23 VAL 40 HG12 VAL 40 3.681 3.506 -3.119 293 H VAL 41 H VAL 41 4.063 8.747 -1.698 294 HA VAL 41 HA VAL 41 6.235 9.107 0.210 295 HB VAL 41 HB VAL 41 3.765 10.812 -0.184 296 HG11 VAL 41 HG21 VAL 41 5.049 12.500 1.129 297 HG12 VAL 41 HG22 VAL 41 6.276 11.271 1.434 298 HG13 VAL 41 HG23 VAL 41 4.643 11.056 2.055 299 HG21 VAL 41 HG13 VAL 41 5.165 10.869 -2.163 300 HG22 VAL 41 HG11 VAL 41 6.584 11.213 -1.174 301 HG23 VAL 41 HG12 VAL 41 5.284 12.397 -1.293 302 H LEU 42 H LEU 42 6.128 7.862 1.857 303 HA LEU 42 HA LEU 42 4.036 6.410 2.882 304 HB2 LEU 42 HB2 LEU 42 6.587 7.387 4.102 305 HB3 LEU 42 HB3 LEU 42 5.428 6.469 5.048 306 HG LEU 42 HG LEU 42 7.392 5.209 3.967 307 HD11 LEU 42 HD11 LEU 42 4.550 4.293 3.578 308 HD12 LEU 42 HD12 LEU 42 5.507 4.143 5.055 309 HD13 LEU 42 HD13 LEU 42 5.973 3.257 3.607 310 HD21 LEU 42 HD21 LEU 42 7.262 6.100 1.722 311 HD22 LEU 42 HD22 LEU 42 5.611 5.495 1.553 312 HD23 LEU 42 HD23 LEU 42 6.953 4.361 1.705 313 H SER 43 H SER 43 4.848 9.758 3.574 314 HA SER 43 HA SER 43 3.182 9.882 5.900 315 HB2 SER 43 HB3 SER 43 4.453 12.037 4.240 316 HB3 SER 43 HB2 SER 43 3.504 12.359 5.690 317 HG SER 43 HG SER 43 5.217 11.908 6.784 318 H THR 44 H THR 44 2.756 10.638 2.474 319 HA THR 44 HA THR 44 0.110 11.682 2.826 320 HB THR 44 HB THR 44 -0.138 11.429 0.384 321 HG1 THR 44 HG1 THR 44 1.991 9.722 0.727 322 HG21 THR 44 HG21 THR 44 2.512 12.609 1.219 323 HG22 THR 44 HG22 THR 44 0.952 13.433 1.227 324 HG23 THR 44 HG23 THR 44 1.680 12.939 -0.301 325 H ILE 45 H ILE 45 1.502 8.651 2.943 326 HA ILE 45 HA ILE 45 -0.829 7.105 2.339 327 HB ILE 45 HB ILE 45 1.763 6.376 3.691 328 HG12 ILE 45 HG13 ILE 45 2.044 7.106 1.361 329 HG13 ILE 45 HG12 ILE 45 2.386 5.400 1.546 330 HG21 ILE 45 HG21 ILE 45 1.163 4.077 3.323 331 HG22 ILE 45 HG22 ILE 45 -0.353 4.563 2.568 332 HG23 ILE 45 HG23 ILE 45 -0.083 4.872 4.284 333 HD11 ILE 45 HD11 ILE 45 -0.058 6.654 0.322 334 HD12 ILE 45 HD12 ILE 45 0.054 4.939 0.711 335 HD13 ILE 45 HD13 ILE 45 1.160 5.647 -0.472 336 H ASP 46 H ASP 46 -2.387 6.538 3.686 337 HA ASP 46 HA ASP 46 -2.337 7.316 6.468 338 HB2 ASP 46 HB2 ASP 46 -4.376 7.528 5.013 339 HB3 ASP 46 HB3 ASP 46 -4.468 5.786 4.976 340 H LYS 47 H LYS 47 -2.615 4.297 4.614 341 HA LYS 47 HA LYS 47 -1.604 2.818 6.947 342 HB2 LYS 47 HB2 LYS 47 -3.951 1.934 5.241 343 HB3 LYS 47 HB3 LYS 47 -3.229 1.019 6.554 344 HG2 LYS 47 HG2 LYS 47 -4.575 3.685 6.915 345 HG3 LYS 47 HG3 LYS 47 -5.379 2.130 7.115 346 HD2 LYS 47 HD2 LYS 47 -3.722 1.544 8.855 347 HD3 LYS 47 HD3 LYS 47 -3.037 3.160 8.694 348 HE2 LYS 47 HE2 LYS 47 -5.235 4.115 9.297 349 HE3 LYS 47 HE3 LYS 47 -5.850 2.481 9.542 350 HZ1 LYS 47 HZ1 LYS 47 -3.656 3.777 11.059 351 HZ2 LYS 47 HZ2 LYS 47 -4.150 2.177 11.264 352 HZ3 LYS 47 HZ3 LYS 47 -5.208 3.441 11.634 353 H LEU 48 H LEU 48 -0.483 0.866 6.372 354 HA LEU 48 HA LEU 48 -0.263 0.393 3.475 355 HB2 LEU 48 HB2 LEU 48 1.934 0.882 4.088 356 HB3 LEU 48 HB3 LEU 48 1.762 0.068 5.639 357 HG LEU 48 HG LEU 48 1.566 -2.095 4.346 358 HD11 LEU 48 HD11 LEU 48 2.939 -0.642 2.146 359 HD12 LEU 48 HD12 LEU 48 1.179 -0.746 2.168 360 HD13 LEU 48 HD13 LEU 48 2.152 -2.217 2.122 361 HD21 LEU 48 HD21 LEU 48 4.204 -1.323 3.639 362 HD22 LEU 48 HD22 LEU 48 3.654 -2.348 4.963 363 HD23 LEU 48 HD23 LEU 48 3.765 -0.595 5.183 364 H GLN 49 H GLN 49 -0.542 -1.598 2.760 365 HA GLN 49 HA GLN 49 -1.611 -3.592 4.649 366 HB2 GLN 49 HB2 GLN 49 -2.318 -3.262 1.748 367 HB3 GLN 49 HB3 GLN 49 -3.046 -4.384 2.874 368 HG2 GLN 49 HG2 GLN 49 -3.218 -1.404 3.175 369 HG3 GLN 49 HG3 GLN 49 -4.422 -2.374 2.326 370 HE21 GLN 49 HE21 GLN 49 -5.731 -3.776 3.505 371 HE22 GLN 49 HE22 GLN 49 -5.914 -3.633 5.218 372 H ALA 50 H ALA 50 -1.211 -5.762 4.142 373 HA ALA 50 HA ALA 50 0.456 -6.547 1.947 374 HB1 ALA 50 HB1 ALA 50 2.336 -7.357 3.319 375 HB2 ALA 50 HB2 ALA 50 1.604 -6.628 4.750 376 HB3 ALA 50 HB3 ALA 50 2.172 -5.601 3.429 377 H THR 51 H THR 51 0.284 -8.753 1.601 378 HA THR 51 HA THR 51 -1.906 -10.182 2.571 379 HB THR 51 HB THR 51 -0.714 -12.210 1.717 380 HG1 THR 51 HG1 THR 51 1.427 -11.192 2.219 381 HG21 THR 51 HG21 THR 51 -0.531 -11.389 -0.658 382 HG22 THR 51 HG22 THR 51 -0.850 -9.768 -0.036 383 HG23 THR 51 HG23 THR 51 -2.062 -11.038 0.150 384 HA PRO 52 HA PRO 52 -0.617 -11.302 6.687 385 HB2 PRO 52 HB3 PRO 52 -2.847 -12.730 7.228 386 HB3 PRO 52 HB2 PRO 52 -2.862 -10.965 7.165 387 HG2 PRO 52 HG3 PRO 52 -3.618 -12.933 5.038 388 HG3 PRO 52 HG2 PRO 52 -4.512 -11.531 5.611 389 HD2 PRO 52 HD2 PRO 52 -3.052 -11.433 3.389 390 HD3 PRO 52 HD3 PRO 52 -3.137 -10.051 4.484 391 H ALA 53 H ALA 53 -0.284 -13.330 7.879 392 HA ALA 53 HA ALA 53 0.912 -15.404 6.464 393 HB1 ALA 53 HB1 ALA 53 1.261 -15.034 8.852 394 HB2 ALA 53 HB2 ALA 53 0.761 -16.696 8.536 395 HB3 ALA 53 HB3 ALA 53 -0.398 -15.534 9.178 396 H SER 54 H SER 54 -2.409 -14.825 7.248 397 HA SER 54 HA SER 54 -3.474 -17.386 6.709 398 HB2 SER 54 HB3 SER 54 -4.837 -14.706 6.405 399 HB3 SER 54 HB2 SER 54 -5.601 -16.262 6.709 400 HG SER 54 HG SER 54 -4.890 -14.554 8.508 401 H SER 55 H SER 55 -2.469 -14.766 4.715 402 HA SER 55 HA SER 55 -3.906 -15.588 2.357 403 HB2 SER 55 HB3 SER 55 -3.307 -13.185 2.763 404 HB3 SER 55 HB2 SER 55 -1.610 -13.631 2.655 405 HG SER 55 HG SER 55 -3.571 -13.606 0.632 406 H GLU 56 H GLU 56 -3.087 -16.719 0.622 407 HA GLU 56 HA GLU 56 -0.578 -18.130 1.017 408 HB2 GLU 56 HB2 GLU 56 -2.650 -18.328 -1.132 409 HB3 GLU 56 HB3 GLU 56 -1.209 -19.324 -1.055 410 HG2 GLU 56 HG3 GLU 56 -3.462 -19.259 0.921 411 HG3 GLU 56 HG2 GLU 56 -3.051 -20.548 -0.201 412 H LYS 57 H LYS 57 -1.572 -15.259 -0.211 413 HA LYS 57 HA LYS 57 0.269 -15.239 -2.491 414 HB2 LYS 57 HB2 LYS 57 -1.548 -12.988 -1.746 415 HB3 LYS 57 HB3 LYS 57 -0.921 -13.407 -3.326 416 HG2 LYS 57 HG2 LYS 57 -3.055 -14.870 -1.801 417 HG3 LYS 57 HG3 LYS 57 -3.285 -13.860 -3.223 418 HD2 LYS 57 HD2 LYS 57 -1.771 -16.448 -3.064 419 HD3 LYS 57 HD3 LYS 57 -3.342 -16.204 -3.820 420 HE2 LYS 57 HE2 LYS 57 -2.287 -14.617 -5.399 421 HE3 LYS 57 HE3 LYS 57 -0.727 -14.983 -4.664 422 HZ1 LYS 57 HZ1 LYS 57 -2.479 -16.926 -6.060 423 HZ2 LYS 57 HZ2 LYS 57 -0.998 -17.288 -5.336 424 HZ3 LYS 57 HZ3 LYS 57 -1.052 -16.258 -6.673 425 H MET 58 H MET 58 1.227 -12.974 -2.805 426 HA MET 58 HA MET 58 2.167 -11.836 -0.276 427 HB2 MET 58 HB3 MET 58 4.212 -11.774 -2.304 428 HB3 MET 58 HB2 MET 58 4.295 -12.431 -0.686 429 HG2 MET 58 HG3 MET 58 4.789 -14.239 -2.089 430 HG3 MET 58 HG2 MET 58 3.133 -14.489 -1.590 431 HE1 MET 58 HE1 MET 58 2.766 -16.264 -3.522 432 HE2 MET 58 HE2 MET 58 4.451 -16.053 -4.000 433 HE3 MET 58 HE3 MET 58 3.173 -15.961 -5.211 434 H MET 59 H MET 59 1.466 -9.784 -0.351 435 HA MET 59 HA MET 59 1.885 -8.176 -2.707 436 HB2 MET 59 HB3 MET 59 -0.521 -9.605 -2.466 437 HB3 MET 59 HB2 MET 59 -0.910 -7.939 -2.065 438 HG2 MET 59 HG3 MET 59 0.017 -7.196 -4.183 439 HG3 MET 59 HG2 MET 59 0.461 -8.856 -4.590 440 HE1 MET 59 HE1 MET 59 -3.070 -10.557 -4.912 441 HE2 MET 59 HE2 MET 59 -2.094 -10.455 -3.448 442 HE3 MET 59 HE3 MET 59 -1.325 -10.798 -4.997 443 H LEU 60 H LEU 60 2.041 -6.063 -2.218 444 HA LEU 60 HA LEU 60 1.169 -5.182 0.471 445 HB2 LEU 60 HB2 LEU 60 3.424 -4.471 -1.261 446 HB3 LEU 60 HB3 LEU 60 2.607 -3.095 -0.558 447 HG LEU 60 HG LEU 60 2.919 -4.383 1.685 448 HD11 LEU 60 HD11 LEU 60 5.074 -5.607 -0.025 449 HD12 LEU 60 HD12 LEU 60 3.736 -6.466 0.750 450 HD13 LEU 60 HD13 LEU 60 4.981 -5.684 1.737 451 HD21 LEU 60 HD21 LEU 60 5.120 -3.345 1.938 452 HD22 LEU 60 HD22 LEU 60 3.945 -2.270 1.183 453 HD23 LEU 60 HD23 LEU 60 5.172 -3.068 0.198 454 H ARG 61 H ARG 61 0.217 -3.056 0.638 455 HA ARG 61 HA ARG 61 -0.547 -1.620 -1.732 456 HB2 ARG 61 HB2 ARG 61 -2.437 -3.210 -1.450 457 HB3 ARG 61 HB3 ARG 61 -2.723 -2.550 0.148 458 HG2 ARG 61 HG2 ARG 61 -2.851 -0.283 -1.181 459 HG3 ARG 61 HG3 ARG 61 -3.268 -1.365 -2.507 460 HD2 ARG 61 HD2 ARG 61 -4.657 -1.218 0.159 461 HD3 ARG 61 HD3 ARG 61 -5.256 -0.546 -1.351 462 HE ARG 61 HE ARG 61 -4.972 -3.132 -1.962 463 HH11 ARG 61 HH11 ARG 61 -6.427 -1.559 0.796 464 HH12 ARG 61 HH12 ARG 61 -7.657 -2.767 1.015 465 HH21 ARG 61 HH21 ARG 61 -6.617 -4.729 -1.707 466 HH22 ARG 61 HH22 ARG 61 -7.780 -4.536 -0.439 467 H LEU 62 H LEU 62 0.108 0.357 -1.269 468 HA LEU 62 HA LEU 62 0.038 1.312 1.488 469 HB2 LEU 62 HB2 LEU 62 1.548 2.017 -0.974 470 HB3 LEU 62 HB3 LEU 62 1.259 3.306 0.173 471 HG LEU 62 HG LEU 62 2.396 0.687 1.080 472 HD11 LEU 62 HD11 LEU 62 4.642 1.500 0.818 473 HD12 LEU 62 HD12 LEU 62 4.046 3.016 0.130 474 HD13 LEU 62 HD13 LEU 62 3.831 1.504 -0.755 475 HD21 LEU 62 HD21 LEU 62 3.324 2.026 2.863 476 HD22 LEU 62 HD22 LEU 62 1.579 2.260 2.751 477 HD23 LEU 62 HD23 LEU 62 2.677 3.488 2.122 478 H ILE 63 H ILE 63 -1.657 2.387 2.149 479 HA ILE 63 HA ILE 63 -3.686 3.330 0.293 480 HB ILE 63 HB ILE 63 -3.827 3.685 3.268 481 HG12 ILE 63 HG13 ILE 63 -3.032 1.382 2.976 482 HG13 ILE 63 HG12 ILE 63 -4.684 1.425 3.575 483 HG21 ILE 63 HG21 ILE 63 -5.966 2.874 1.324 484 HG22 ILE 63 HG22 ILE 63 -5.599 4.545 1.746 485 HG23 ILE 63 HG23 ILE 63 -6.172 3.426 2.984 486 HD11 ILE 63 HD11 ILE 63 -3.883 0.937 0.734 487 HD12 ILE 63 HD12 ILE 63 -5.518 0.912 1.389 488 HD13 ILE 63 HD13 ILE 63 -4.343 -0.293 1.908 489 H GLY 64 H GLY 64 -3.318 5.397 -0.524 490 HA2 GLY 64 HA3 GLY 64 -2.034 7.414 1.074 491 HA3 GLY 64 HA2 GLY 64 -2.768 7.655 -0.495 492 H LYS 65 H LYS 65 -2.928 9.045 2.236 493 HA LYS 65 HA LYS 65 -5.423 8.767 3.408 494 HB2 LYS 65 HB2 LYS 65 -3.586 11.122 3.083 495 HB3 LYS 65 HB3 LYS 65 -5.170 11.338 3.804 496 HG2 LYS 65 HG2 LYS 65 -4.276 10.805 5.755 497 HG3 LYS 65 HG3 LYS 65 -4.032 9.181 5.154 498 HD2 LYS 65 HD2 LYS 65 -1.827 9.568 4.604 499 HD3 LYS 65 HD3 LYS 65 -2.044 11.317 4.531 500 HE2 LYS 65 HE2 LYS 65 -0.796 10.856 6.495 501 HE3 LYS 65 HE3 LYS 65 -2.430 11.257 7.006 502 HZ1 LYS 65 HZ1 LYS 65 -1.263 8.538 6.810 503 HZ2 LYS 65 HZ2 LYS 65 -2.880 8.865 7.210 504 HZ3 LYS 65 HZ3 LYS 65 -1.635 9.377 8.234 505 H VAL 66 H VAL 66 -7.455 9.392 2.895 506 HA VAL 66 HA VAL 66 -7.978 10.467 0.276 507 HB VAL 66 HB VAL 66 -9.428 8.757 1.358 508 HG11 VAL 66 HG21 VAL 66 -9.444 9.614 3.627 509 HG12 VAL 66 HG22 VAL 66 -11.091 9.468 3.014 510 HG13 VAL 66 HG23 VAL 66 -10.316 11.051 3.096 511 HG21 VAL 66 HG13 VAL 66 -10.233 10.088 -0.530 512 HG22 VAL 66 HG11 VAL 66 -10.860 11.296 0.591 513 HG23 VAL 66 HG12 VAL 66 -11.541 9.670 0.576 514 H ASP 67 H ASP 67 -9.561 12.319 0.096 515 HA ASP 67 HA ASP 67 -8.264 14.613 1.104 516 HB2 ASP 67 HB2 ASP 67 -10.772 14.211 -0.516 517 HB3 ASP 67 HB3 ASP 67 -10.128 15.789 -0.117 518 H GLU 68 H GLU 68 -8.561 14.209 3.404 519 HA GLU 68 HA GLU 68 -11.143 14.674 4.569 520 HB2 GLU 68 HB2 GLU 68 -8.362 14.497 5.660 521 HB3 GLU 68 HB3 GLU 68 -9.719 14.939 6.681 522 HG2 GLU 68 HG3 GLU 68 -9.799 12.446 5.039 523 HG3 GLU 68 HG2 GLU 68 -8.952 12.478 6.583 524 H SER 69 H SER 69 -8.728 16.596 3.226 525 HA SER 69 HA SER 69 -8.904 18.926 4.789 526 HB2 SER 69 HB3 SER 69 -8.110 19.989 2.554 527 HB3 SER 69 HB2 SER 69 -7.062 18.815 3.352 528 HG SER 69 HG SER 69 -7.131 18.006 1.372 529 H LYS 70 H LYS 70 -10.708 17.787 1.977 530 HA LYS 70 HA LYS 70 -12.912 19.487 2.758 531 HB2 LYS 70 HB2 LYS 70 -13.000 19.861 0.048 532 HB3 LYS 70 HB3 LYS 70 -12.430 21.041 1.216 533 HG2 LYS 70 HG2 LYS 70 -10.799 20.961 -0.462 534 HG3 LYS 70 HG3 LYS 70 -10.124 20.060 0.887 535 HD2 LYS 70 HD2 LYS 70 -10.632 17.972 -0.186 536 HD3 LYS 70 HD3 LYS 70 -11.504 18.799 -1.475 537 HE2 LYS 70 HE2 LYS 70 -9.406 19.943 -2.101 538 HE3 LYS 70 HE3 LYS 70 -8.558 18.998 -0.882 539 HZ1 LYS 70 HZ1 LYS 70 -8.997 17.007 -2.067 540 HZ2 LYS 70 HZ2 LYS 70 -8.412 18.126 -3.195 541 HZ3 LYS 70 HZ3 LYS 70 -10.065 17.786 -3.127 542 H LYS 71 H LYS 71 -14.197 17.778 3.209 543 HA LYS 71 HA LYS 71 -14.434 15.461 1.689 544 HB2 LYS 71 HB2 LYS 71 -16.413 16.736 3.562 545 HB3 LYS 71 HB3 LYS 71 -16.594 15.136 2.879 546 HG2 LYS 71 HG2 LYS 71 -14.552 14.424 4.008 547 HG3 LYS 71 HG3 LYS 71 -14.375 16.040 4.697 548 HD2 LYS 71 HD2 LYS 71 -16.819 14.349 5.092 549 HD3 LYS 71 HD3 LYS 71 -15.450 14.312 6.204 550 HE2 LYS 71 HE2 LYS 71 -17.187 16.669 5.510 551 HE3 LYS 71 HE3 LYS 71 -17.171 15.793 7.036 552 HZ1 LYS 71 HZ1 LYS 71 -14.958 17.427 5.923 553 HZ2 LYS 71 HZ2 LYS 71 -14.856 16.509 7.339 554 HZ3 LYS 71 HZ3 LYS 71 -15.925 17.815 7.254 555 H ARG 72 H ARG 72 -15.852 14.845 0.137 556 HA ARG 72 HA ARG 72 -16.886 16.961 -1.527 557 HB2 ARG 72 HB2 ARG 72 -16.910 15.427 -3.224 558 HB3 ARG 72 HB3 ARG 72 -15.774 14.602 -2.170 559 HG2 ARG 72 HG2 ARG 72 -17.415 13.092 -1.429 560 HG3 ARG 72 HG3 ARG 72 -18.721 14.048 -2.122 561 HD2 ARG 72 HD2 ARG 72 -16.558 12.701 -3.731 562 HD3 ARG 72 HD3 ARG 72 -18.158 12.019 -3.441 563 HE ARG 72 HE ARG 72 -18.334 14.641 -4.531 564 HH11 ARG 72 HH11 ARG 72 -17.659 11.317 -5.417 565 HH12 ARG 72 HH12 ARG 72 -18.235 11.506 -7.043 566 HH21 ARG 72 HH21 ARG 72 -19.087 14.884 -6.676 567 HH22 ARG 72 HH22 ARG 72 -19.024 13.531 -7.761 568 H LYS 73 H LYS 73 -19.166 16.535 -2.478 569 HA LYS 73 HA LYS 73 -21.026 15.410 -0.601 570 HB2 LYS 73 HB2 LYS 73 -22.237 17.837 -1.190 571 HB3 LYS 73 HB3 LYS 73 -21.660 17.296 0.372 572 HG2 LYS 73 HG2 LYS 73 -20.661 19.353 0.091 573 HG3 LYS 73 HG3 LYS 73 -19.395 18.223 -0.376 574 HD2 LYS 73 HD2 LYS 73 -20.340 18.519 -2.749 575 HD3 LYS 73 HD3 LYS 73 -21.092 19.975 -2.102 576 HE2 LYS 73 HE2 LYS 73 -18.151 19.335 -2.035 577 HE3 LYS 73 HE3 LYS 73 -18.929 20.469 -3.139 578 HZ1 LYS 73 HZ1 LYS 73 -18.771 20.719 -0.180 579 HZ2 LYS 73 HZ2 LYS 73 -19.624 21.772 -1.195 580 HZ3 LYS 73 HZ3 LYS 73 -17.944 21.659 -1.321 581 H ASP 74 H ASP 74 -23.159 15.181 -1.427 582 HA ASP 74 HA ASP 74 -22.957 14.506 -4.247 583 HB2 ASP 74 HB2 ASP 74 -23.735 13.023 -2.204 584 HB3 ASP 74 HB3 ASP 74 -25.274 13.799 -2.531 585 H ASN 75 H ASN 75 -25.812 14.380 -4.680 586 HA ASN 75 HA ASN 75 -26.148 16.945 -5.797 587 HB2 ASN 75 HB2 ASN 75 -27.174 14.863 -6.677 588 HB3 ASN 75 HB3 ASN 75 -28.298 14.876 -5.321 589 HD21 ASN 75 HD21 ASN 75 -27.146 17.695 -7.073 590 HD22 ASN 75 HD22 ASN 75 -28.671 18.127 -7.755 591 H GLU 76 H GLU 76 -27.176 15.582 -2.741 592 HA GLU 76 HA GLU 76 -28.976 17.808 -2.231 593 HB2 GLU 76 HB2 GLU 76 -28.244 15.443 -0.501 594 HB3 GLU 76 HB3 GLU 76 -29.488 16.633 -0.133 595 HG2 GLU 76 HG3 GLU 76 -29.486 14.862 -2.546 596 HG3 GLU 76 HG2 GLU 76 -30.366 14.513 -1.057 597 H GLY 77 H GLY 77 -25.792 17.267 -2.145 598 HA2 GLY 77 HA3 GLY 77 -23.998 18.305 -1.122 599 HA3 GLY 77 HA2 GLY 77 -25.148 19.443 -0.421 600 H ASN 78 H ASN 78 -25.478 16.027 0.008 601 HA ASN 78 HA ASN 78 -25.800 16.306 2.803 602 HB2 ASN 78 HB2 ASN 78 -25.981 13.850 2.800 603 HB3 ASN 78 HB3 ASN 78 -27.013 14.601 1.587 604 HD21 ASN 78 HD21 ASN 78 -26.592 14.239 -0.564 605 HD22 ASN 78 HD22 ASN 78 -25.512 13.004 -1.097 606 H GLU 79 H GLU 79 -23.256 15.185 0.789 607 HA GLU 79 HA GLU 79 -21.002 15.585 1.154 608 HB2 GLU 79 HB2 GLU 79 -21.666 15.422 4.044 609 HB3 GLU 79 HB3 GLU 79 -20.013 15.389 3.460 610 HG2 GLU 79 HG3 GLU 79 -20.584 17.566 2.266 611 HG3 GLU 79 HG2 GLU 79 -22.033 17.592 3.269 612 H VAL 80 H VAL 80 -19.627 14.113 0.644 613 HA VAL 80 HA VAL 80 -20.154 11.340 1.455 614 HB VAL 80 HB VAL 80 -19.024 11.974 -1.238 615 HG11 VAL 80 HG21 VAL 80 -20.689 9.687 -0.202 616 HG12 VAL 80 HG22 VAL 80 -18.942 9.690 -0.442 617 HG13 VAL 80 HG23 VAL 80 -20.024 9.816 -1.829 618 HG21 VAL 80 HG13 VAL 80 -21.989 11.892 -0.657 619 HG22 VAL 80 HG11 VAL 80 -21.263 11.891 -2.265 620 HG23 VAL 80 HG12 VAL 80 -21.067 13.290 -1.211 621 H VAL 81 H VAL 81 -18.280 10.137 1.676 622 HA VAL 81 HA VAL 81 -15.819 11.714 1.534 623 HB VAL 81 HB VAL 81 -16.623 9.492 3.385 624 HG11 VAL 81 HG21 VAL 81 -13.890 10.747 3.076 625 HG12 VAL 81 HG22 VAL 81 -14.314 9.074 2.711 626 HG13 VAL 81 HG23 VAL 81 -14.361 9.654 4.377 627 HG21 VAL 81 HG13 VAL 81 -16.164 11.137 5.133 628 HG22 VAL 81 HG11 VAL 81 -17.391 11.709 4.003 629 HG23 VAL 81 HG12 VAL 81 -15.741 12.324 3.899 630 HA PRO 82 HA PRO 82 -15.174 9.082 -2.067 631 HB2 PRO 82 HB3 PRO 82 -12.600 10.526 -1.760 632 HB3 PRO 82 HB2 PRO 82 -13.591 10.291 -3.192 633 HG2 PRO 82 HG3 PRO 82 -13.531 12.587 -1.897 634 HG3 PRO 82 HG2 PRO 82 -14.987 12.021 -2.688 635 HD2 PRO 82 HD2 PRO 82 -14.369 12.220 0.154 636 HD3 PRO 82 HD3 PRO 82 -15.937 12.191 -0.662 637 H LYS 83 H LYS 83 -13.691 7.378 -2.555 638 HA LYS 83 HA LYS 83 -12.501 6.197 -0.215 639 HB2 LYS 83 HB2 LYS 83 -13.477 4.552 -1.415 640 HB3 LYS 83 HB3 LYS 83 -13.098 5.269 -2.975 641 HG2 LYS 83 HG2 LYS 83 -10.788 4.503 -2.741 642 HG3 LYS 83 HG3 LYS 83 -11.172 3.822 -1.157 643 HD2 LYS 83 HD2 LYS 83 -12.831 2.346 -2.214 644 HD3 LYS 83 HD3 LYS 83 -12.404 3.007 -3.792 645 HE2 LYS 83 HE2 LYS 83 -10.133 2.169 -3.543 646 HE3 LYS 83 HE3 LYS 83 -10.524 1.546 -1.940 647 HZ1 LYS 83 HZ1 LYS 83 -11.779 0.666 -4.484 648 HZ2 LYS 83 HZ2 LYS 83 -12.140 0.060 -2.947 649 HZ3 LYS 83 HZ3 LYS 83 -10.610 -0.194 -3.617 650 HA PRO 84 HA PRO 84 -8.562 8.043 -0.560 651 HB2 PRO 84 HB3 PRO 84 -7.566 5.551 0.648 652 HB3 PRO 84 HB2 PRO 84 -7.489 7.208 1.250 653 HG2 PRO 84 HG3 PRO 84 -9.138 5.306 2.280 654 HG3 PRO 84 HG2 PRO 84 -9.463 7.046 2.345 655 HD2 PRO 84 HD2 PRO 84 -10.737 4.955 0.675 656 HD3 PRO 84 HD3 PRO 84 -11.357 6.529 1.205 657 H GLN 85 H GLN 85 -6.888 7.995 -1.980 658 HA GLN 85 HA GLN 85 -6.893 5.914 -3.982 659 HB2 GLN 85 HB2 GLN 85 -4.687 7.677 -4.346 660 HB3 GLN 85 HB3 GLN 85 -6.133 7.525 -5.327 661 HG2 GLN 85 HG2 GLN 85 -6.236 9.731 -4.772 662 HG3 GLN 85 HG3 GLN 85 -7.187 9.033 -3.466 663 HE21 GLN 85 HE21 GLN 85 -4.680 7.947 -2.244 664 HE22 GLN 85 HE22 GLN 85 -3.955 9.300 -1.462 665 H ARG 86 H ARG 86 -5.814 4.142 -3.802 666 HA ARG 86 HA ARG 86 -3.581 4.073 -1.900 667 HB2 ARG 86 HB2 ARG 86 -5.041 1.593 -2.718 668 HB3 ARG 86 HB3 ARG 86 -4.240 1.970 -1.193 669 HG2 ARG 86 HG2 ARG 86 -6.037 3.330 -0.481 670 HG3 ARG 86 HG3 ARG 86 -6.768 3.331 -2.082 671 HD2 ARG 86 HD2 ARG 86 -6.493 0.953 -0.253 672 HD3 ARG 86 HD3 ARG 86 -7.976 1.845 -0.585 673 HE ARG 86 HE ARG 86 -6.800 0.876 -2.981 674 HH11 ARG 86 HH11 ARG 86 -8.722 -0.124 -0.228 675 HH12 ARG 86 HH12 ARG 86 -9.442 -1.463 -1.066 676 HH21 ARG 86 HH21 ARG 86 -7.741 -0.874 -4.076 677 HH22 ARG 86 HH22 ARG 86 -8.882 -1.893 -3.253 678 H HIS 87 H HIS 87 -1.901 2.477 -2.363 679 HA HIS 87 HA HIS 87 -1.475 2.129 -5.261 680 HB2 HIS 87 HB3 HIS 87 0.616 2.789 -3.172 681 HB3 HIS 87 HB2 HIS 87 0.885 2.658 -4.900 682 HD1 HIS 87 HD1 HIS 87 -0.981 4.462 -6.218 683 HD2 HIS 87 HD2 HIS 87 0.518 5.379 -2.449 684 HE1 HIS 87 HE1 HIS 87 -1.309 6.942 -5.941 685 HE2 HIS 87 HE2 HIS 87 -0.366 7.483 -3.668 686 H MET 88 H MET 88 -1.479 0.009 -5.701 687 HA MET 88 HA MET 88 -0.618 -1.859 -3.588 688 HB2 MET 88 HB3 MET 88 -3.001 -2.057 -4.200 689 HB3 MET 88 HB2 MET 88 -2.543 -2.337 -5.871 690 HG2 MET 88 HG3 MET 88 -1.309 -4.365 -5.126 691 HG3 MET 88 HG2 MET 88 -1.971 -4.113 -3.513 692 HE1 MET 88 HE1 MET 88 -4.639 -4.417 -2.932 693 HE2 MET 88 HE2 MET 88 -5.835 -4.491 -4.227 694 HE3 MET 88 HE3 MET 88 -4.817 -3.064 -4.048 695 H PHE 89 H PHE 89 1.172 -3.068 -3.969 696 HA PHE 89 HA PHE 89 1.841 -3.503 -6.796 697 HB2 PHE 89 HB3 PHE 89 3.724 -3.469 -4.430 698 HB3 PHE 89 HB2 PHE 89 4.175 -3.672 -6.120 699 HD1 PHE 89 HD1 PHE 89 2.693 -1.291 -3.717 700 HD2 PHE 89 HD2 PHE 89 4.576 -1.810 -7.487 701 HE1 PHE 89 HE1 PHE 89 2.933 1.154 -3.924 702 HE2 PHE 89 HE2 PHE 89 4.813 0.629 -7.708 703 HZ PHE 89 HZ PHE 89 3.992 2.114 -5.924 704 H SER 90 H SER 90 2.313 -5.609 -7.417 705 HA SER 90 HA SER 90 1.497 -7.660 -5.509 706 HB2 SER 90 HB3 SER 90 1.976 -7.915 -8.476 707 HB3 SER 90 HB2 SER 90 1.235 -9.117 -7.440 708 HG SER 90 HG SER 90 -0.394 -7.425 -7.006 709 H PHE 91 H PHE 91 2.946 -8.920 -4.560 710 HA PHE 91 HA PHE 91 5.710 -8.783 -5.562 711 HB2 PHE 91 HB3 PHE 91 4.670 -9.440 -2.784 712 HB3 PHE 91 HB2 PHE 91 6.369 -9.353 -3.240 713 HD1 PHE 91 HD1 PHE 91 3.308 -7.204 -3.494 714 HD2 PHE 91 HD2 PHE 91 7.465 -7.424 -2.726 715 HE1 PHE 91 HE1 PHE 91 3.351 -4.797 -2.952 716 HE2 PHE 91 HE2 PHE 91 7.506 -5.041 -2.198 717 HZ PHE 91 HZ PHE 91 5.343 -3.687 -2.467 718 H ASN 92 H ASN 92 7.041 -10.789 -5.164 719 HA ASN 92 HA ASN 92 5.385 -13.139 -5.826 720 HB2 ASN 92 HB2 ASN 92 8.109 -12.340 -6.860 721 HB3 ASN 92 HB3 ASN 92 7.442 -13.954 -7.073 722 HD21 ASN 92 HD21 ASN 92 8.192 -12.003 -9.073 723 HD22 ASN 92 HD22 ASN 92 6.773 -11.699 -10.015 724 H ASN 93 H ASN 93 7.415 -11.823 -3.536 725 HA ASN 93 HA ASN 93 7.962 -14.504 -2.455 726 HB2 ASN 93 HB2 ASN 93 10.018 -13.370 -3.360 727 HB3 ASN 93 HB3 ASN 93 9.775 -12.100 -2.169 728 HD21 ASN 93 HD21 ASN 93 12.023 -13.899 -2.485 729 HD22 ASN 93 HD22 ASN 93 12.172 -14.752 -0.986 730 H ARG 94 H ARG 94 6.926 -14.795 -0.618 731 HA ARG 94 HA ARG 94 5.449 -12.796 0.679 732 HB2 ARG 94 HB2 ARG 94 4.798 -15.118 0.825 733 HB3 ARG 94 HB3 ARG 94 6.290 -15.522 1.642 734 HG2 ARG 94 HG2 ARG 94 4.673 -15.451 3.317 735 HG3 ARG 94 HG3 ARG 94 5.568 -13.936 3.468 736 HD2 ARG 94 HD2 ARG 94 3.759 -12.953 1.947 737 HD3 ARG 94 HD3 ARG 94 2.844 -14.406 2.331 738 HE ARG 94 HE ARG 94 3.156 -12.140 3.976 739 HH11 ARG 94 HH11 ARG 94 2.916 -15.627 4.132 740 HH12 ARG 94 HH12 ARG 94 2.523 -15.651 5.819 741 HH21 ARG 94 HH21 ARG 94 2.626 -12.156 6.183 742 HH22 ARG 94 HH22 ARG 94 2.363 -13.668 6.993 743 H THR 95 H THR 95 8.715 -13.888 1.124 744 HA THR 95 HA THR 95 9.027 -12.778 3.746 745 HB THR 95 HB THR 95 11.038 -13.691 1.688 746 HG1 THR 95 HG1 THR 95 9.996 -15.437 2.546 747 HG21 THR 95 HG21 THR 95 11.510 -12.859 4.548 748 HG22 THR 95 HG22 THR 95 11.997 -11.956 3.113 749 HG23 THR 95 HG23 THR 95 12.716 -13.534 3.450 750 H VAL 96 H VAL 96 10.011 -11.809 0.494 751 HA VAL 96 HA VAL 96 11.188 -9.355 1.147 752 HB VAL 96 HB VAL 96 9.660 -10.080 -1.381 753 HG11 VAL 96 HG21 VAL 96 11.692 -7.903 -0.800 754 HG12 VAL 96 HG22 VAL 96 9.988 -7.683 -1.198 755 HG13 VAL 96 HG23 VAL 96 11.101 -8.320 -2.410 756 HG21 VAL 96 HG13 VAL 96 11.906 -10.615 -2.281 757 HG22 VAL 96 HG11 VAL 96 11.473 -11.650 -0.920 758 HG23 VAL 96 HG12 VAL 96 12.604 -10.317 -0.687 759 H MET 97 H MET 97 7.859 -9.996 0.031 760 HA MET 97 HA MET 97 7.053 -7.329 0.279 761 HB2 MET 97 HB3 MET 97 4.842 -8.142 0.039 762 HB3 MET 97 HB2 MET 97 5.895 -9.206 -0.902 763 HG2 MET 97 HG3 MET 97 4.990 -10.910 0.134 764 HG3 MET 97 HG2 MET 97 5.751 -10.357 1.630 765 HE1 MET 97 HE1 MET 97 4.362 -8.366 3.173 766 HE2 MET 97 HE2 MET 97 4.475 -10.061 3.646 767 HE3 MET 97 HE3 MET 97 2.935 -9.210 3.777 768 H ASP 98 H ASP 98 7.532 -9.835 2.640 769 HA ASP 98 HA ASP 98 6.100 -8.596 4.772 770 HB2 ASP 98 HB2 ASP 98 6.756 -10.976 4.819 771 HB3 ASP 98 HB3 ASP 98 8.461 -10.493 4.851 772 H ASN 99 H ASN 99 9.373 -8.486 3.550 773 HA ASN 99 HA ASN 99 10.313 -6.933 5.791 774 HB2 ASN 99 HB2 ASN 99 12.506 -7.082 4.740 775 HB3 ASN 99 HB3 ASN 99 11.728 -8.633 4.782 776 HD21 ASN 99 HD21 ASN 99 12.511 -9.726 3.294 777 HD22 ASN 99 HD22 ASN 99 12.612 -9.281 1.636 778 H ILE 100 H ILE 100 9.370 -6.368 2.516 779 HA ILE 100 HA ILE 100 9.923 -3.578 2.393 780 HB ILE 100 HB ILE 100 7.768 -5.269 1.080 781 HG12 ILE 100 HG13 ILE 100 10.112 -5.776 0.469 782 HG13 ILE 100 HG12 ILE 100 9.179 -5.151 -0.889 783 HG21 ILE 100 HG21 ILE 100 7.203 -2.810 1.283 784 HG22 ILE 100 HG22 ILE 100 7.225 -3.476 -0.350 785 HG23 ILE 100 HG23 ILE 100 8.579 -2.511 0.222 786 HD11 ILE 100 HD11 ILE 100 10.138 -2.913 -0.421 787 HD12 ILE 100 HD12 ILE 100 11.319 -4.127 -0.922 788 HD13 ILE 100 HD13 ILE 100 11.188 -3.671 0.776 789 H LYS 101 H LYS 101 6.944 -5.371 3.205 790 HA LYS 101 HA LYS 101 5.314 -3.237 3.855 791 HB2 LYS 101 HB2 LYS 101 4.265 -5.313 3.641 792 HB3 LYS 101 HB3 LYS 101 5.400 -6.112 4.729 793 HG2 LYS 101 HG2 LYS 101 4.200 -4.262 6.357 794 HG3 LYS 101 HG3 LYS 101 2.885 -4.755 5.292 795 HD2 LYS 101 HD2 LYS 101 2.754 -6.289 7.045 796 HD3 LYS 101 HD3 LYS 101 3.665 -7.164 5.813 797 HE2 LYS 101 HE2 LYS 101 5.763 -6.409 6.955 798 HE3 LYS 101 HE3 LYS 101 4.751 -5.755 8.245 799 HZ1 LYS 101 HZ1 LYS 101 5.133 -8.592 7.478 800 HZ2 LYS 101 HZ2 LYS 101 3.830 -8.090 8.438 801 HZ3 LYS 101 HZ3 LYS 101 5.414 -7.854 8.976 802 H MET 102 H MET 102 7.458 -5.128 6.007 803 HA MET 102 HA MET 102 6.685 -3.778 8.373 804 HB2 MET 102 HB3 MET 102 8.501 -4.904 9.459 805 HB3 MET 102 HB2 MET 102 7.785 -6.022 8.311 806 HG2 MET 102 HG3 MET 102 10.013 -6.385 7.981 807 HG3 MET 102 HG2 MET 102 9.664 -5.203 6.729 808 HE1 MET 102 HE1 MET 102 11.859 -4.310 10.678 809 HE2 MET 102 HE2 MET 102 11.309 -5.906 10.167 810 HE3 MET 102 HE3 MET 102 10.135 -4.671 10.619 811 H THR 103 H THR 103 8.944 -3.039 5.871 812 HA THR 103 HA THR 103 10.491 -1.112 7.247 813 HB THR 103 HB THR 103 9.888 -1.539 4.318 814 HG1 THR 103 HG1 THR 103 11.276 -3.094 4.905 815 HG21 THR 103 HG21 THR 103 11.668 0.002 3.796 816 HG22 THR 103 HG22 THR 103 11.873 0.378 5.511 817 HG23 THR 103 HG23 THR 103 10.372 0.817 4.686 818 H LEU 104 H LEU 104 7.659 -0.910 5.138 819 HA LEU 104 HA LEU 104 7.515 1.920 5.216 820 HB2 LEU 104 HB2 LEU 104 5.351 -0.073 4.524 821 HB3 LEU 104 HB3 LEU 104 5.337 1.626 4.140 822 HG LEU 104 HG LEU 104 7.557 -0.056 3.079 823 HD11 LEU 104 HD11 LEU 104 4.761 0.034 2.031 824 HD12 LEU 104 HD12 LEU 104 5.718 -1.385 2.455 825 HD13 LEU 104 HD13 LEU 104 6.153 -0.416 1.050 826 HD21 LEU 104 HD21 LEU 104 7.455 1.521 1.263 827 HD22 LEU 104 HD22 LEU 104 7.590 2.364 2.805 828 HD23 LEU 104 HD23 LEU 104 6.028 2.264 1.986 829 H GLN 105 H GLN 105 5.394 -0.548 6.639 830 HA GLN 105 HA GLN 105 3.743 1.086 8.088 831 HB2 GLN 105 HB2 GLN 105 4.747 -1.634 8.909 832 HB3 GLN 105 HB3 GLN 105 3.359 -0.822 9.618 833 HG2 GLN 105 HG2 GLN 105 2.217 -0.854 7.502 834 HG3 GLN 105 HG3 GLN 105 3.630 -1.555 6.728 835 HE21 GLN 105 HE21 GLN 105 0.997 -2.572 6.727 836 HE22 GLN 105 HE22 GLN 105 1.059 -4.135 7.469 837 H GLN 106 H GLN 106 7.050 0.247 8.850 838 HA GLN 106 HA GLN 106 7.068 1.039 11.553 839 HB2 GLN 106 HB2 GLN 106 9.043 0.639 9.409 840 HB3 GLN 106 HB3 GLN 106 9.537 1.660 10.732 841 HG2 GLN 106 HG2 GLN 106 9.027 -0.163 12.298 842 HG3 GLN 106 HG3 GLN 106 8.599 -1.184 10.924 843 HE21 GLN 106 HE21 GLN 106 10.213 -1.884 9.526 844 HE22 GLN 106 HE22 GLN 106 11.886 -1.857 9.974 845 H ILE 107 H ILE 107 7.839 2.654 8.561 846 HA ILE 107 HA ILE 107 8.291 5.270 9.471 847 HB ILE 107 HB ILE 107 7.117 4.284 6.856 848 HG12 ILE 107 HG13 ILE 107 10.002 4.939 7.397 849 HG13 ILE 107 HG12 ILE 107 9.363 3.319 7.603 850 HG21 ILE 107 HG21 ILE 107 7.906 6.354 5.896 851 HG22 ILE 107 HG22 ILE 107 8.521 6.873 7.464 852 HG23 ILE 107 HG23 ILE 107 6.784 6.667 7.216 853 HD11 ILE 107 HD11 ILE 107 10.483 3.616 5.460 854 HD12 ILE 107 HD12 ILE 107 9.347 4.900 5.047 855 HD13 ILE 107 HD13 ILE 107 8.773 3.248 5.256 856 H ILE 108 H ILE 108 5.369 3.612 8.360 857 HA ILE 108 HA ILE 108 3.676 5.867 8.376 858 HB ILE 108 HB ILE 108 2.826 3.008 8.846 859 HG12 ILE 108 HG13 ILE 108 4.078 4.330 6.529 860 HG13 ILE 108 HG12 ILE 108 4.108 2.651 7.013 861 HG21 ILE 108 HG21 ILE 108 0.979 4.473 9.062 862 HG22 ILE 108 HG22 ILE 108 0.858 3.743 7.461 863 HG23 ILE 108 HG23 ILE 108 1.453 5.398 7.636 864 HD11 ILE 108 HD11 ILE 108 3.014 2.658 4.979 865 HD12 ILE 108 HD12 ILE 108 2.076 4.098 5.380 866 HD13 ILE 108 HD13 ILE 108 1.704 2.556 6.161 867 H SER 109 H SER 109 3.923 3.225 10.782 868 HA SER 109 HA SER 109 2.358 4.446 12.762 869 HB2 SER 109 HB3 SER 109 4.691 2.548 13.078 870 HB3 SER 109 HB2 SER 109 3.516 2.932 14.336 871 HG SER 109 HG SER 109 3.010 1.002 13.186 872 H ARG 110 H ARG 110 5.630 5.016 11.778 873 HA ARG 110 HA ARG 110 6.520 6.470 14.040 874 HB2 ARG 110 HB2 ARG 110 7.437 5.933 11.308 875 HB3 ARG 110 HB3 ARG 110 8.011 7.439 11.963 876 HG2 ARG 110 HG2 ARG 110 8.923 6.203 13.877 877 HG3 ARG 110 HG3 ARG 110 8.345 4.713 13.119 878 HD2 ARG 110 HD2 ARG 110 9.731 5.094 11.199 879 HD3 ARG 110 HD3 ARG 110 10.239 6.650 11.834 880 HE ARG 110 HE ARG 110 10.874 4.608 13.677 881 HH11 ARG 110 HH11 ARG 110 11.873 5.893 10.576 882 HH12 ARG 110 HH12 ARG 110 13.511 5.342 10.731 883 HH21 ARG 110 HH21 ARG 110 13.021 3.897 13.902 884 HH22 ARG 110 HH22 ARG 110 14.171 4.209 12.637 885 H TYR 111 H TYR 111 4.776 7.251 11.129 886 HA TYR 111 HA TYR 111 4.917 10.077 11.657 887 HB2 TYR 111 HB3 TYR 111 3.873 8.416 9.430 888 HB3 TYR 111 HB2 TYR 111 3.259 10.054 9.609 889 HD1 TYR 111 HD2 TYR 111 5.026 11.950 9.769 890 HD2 TYR 111 HD1 TYR 111 5.879 8.041 8.406 891 HE1 TYR 111 HE2 TYR 111 7.078 12.787 8.695 892 HE2 TYR 111 HE1 TYR 111 7.938 8.844 7.324 893 HH TYR 111 HH TYR 111 9.189 11.999 7.904 894 H LYS 112 H LYS 112 2.681 7.454 12.069 895 HA LYS 112 HA LYS 112 0.429 9.051 12.799 896 HB2 LYS 112 HB2 LYS 112 1.145 6.181 13.422 897 HB3 LYS 112 HB3 LYS 112 -0.393 6.921 13.854 898 HG2 LYS 112 HG2 LYS 112 -1.194 6.629 11.811 899 HG3 LYS 112 HG3 LYS 112 0.258 7.312 11.072 900 HD2 LYS 112 HD2 LYS 112 -0.023 5.021 10.362 901 HD3 LYS 112 HD3 LYS 112 1.402 5.164 11.379 902 HE2 LYS 112 HE2 LYS 112 -0.003 4.383 13.294 903 HE3 LYS 112 HE3 LYS 112 -1.285 4.091 12.132 904 HZ1 LYS 112 HZ1 LYS 112 -0.047 2.078 12.653 905 HZ2 LYS 112 HZ2 LYS 112 1.375 2.784 12.063 906 HZ3 LYS 112 HZ3 LYS 112 0.081 2.479 11.013 907 H ASP 113 H ASP 113 3.244 7.861 14.439 908 HA ASP 113 HA ASP 113 2.413 8.420 17.087 909 HB2 ASP 113 HB2 ASP 113 4.338 6.988 16.639 910 HB3 ASP 113 HB3 ASP 113 5.180 8.326 15.867 911 H ALA 114 H ALA 114 3.315 10.354 14.445 912 HA ALA 114 HA ALA 114 3.574 12.704 16.205 913 HB1 ALA 114 HB1 ALA 114 5.637 12.204 14.972 914 HB2 ALA 114 HB2 ALA 114 4.936 13.746 14.483 915 HB3 ALA 114 HB3 ALA 114 4.749 12.328 13.453 916 H ASP 115 H ASP 115 1.138 11.423 15.055 917 HA ASP 115 HA ASP 115 0.024 13.877 13.934 918 HB2 ASP 115 HB2 ASP 115 0.611 12.502 11.977 919 HB3 ASP 115 HB3 ASP 115 -0.341 11.176 12.623 920 H1 GLY 242 H1 GLY 242 -5.009 -17.946 10.662 921 H2 GLY 242 H2 GLY 242 -4.413 -16.712 9.669 922 H3 GLY 242 H3 GLY 242 -5.694 -16.401 10.732 923 HA2 GLY 242 HA2 GLY 242 -2.924 -17.109 11.527 924 HA3 GLY 242 HA3 GLY 242 -3.612 -15.494 11.576 925 H GLY 243 H GLY 243 -3.216 -18.445 13.220 926 HA2 GLY 243 HA3 GLY 243 -3.549 -17.895 15.723 927 HA3 GLY 243 HA2 GLY 243 -5.227 -17.702 15.232 928 H GLY 244 H GLY 244 -6.089 -19.391 16.373 929 HA2 GLY 244 HA3 GLY 244 -6.911 -21.569 16.341 930 HA3 GLY 244 HA2 GLY 244 -5.656 -22.003 15.189 931 H GLY 245 H GLY 245 -3.360 -21.761 16.229 932 HA2 GLY 245 HA3 GLY 245 -1.843 -22.446 17.817 933 HA3 GLY 245 HA2 GLY 245 -3.108 -22.279 19.024 934 H TYR 246 H TYR 246 -4.037 -24.066 19.831 935 HA TYR 246 HA TYR 246 -3.083 -26.646 18.958 936 HB2 TYR 246 HB3 TYR 246 -5.108 -25.885 21.071 937 HB3 TYR 246 HB2 TYR 246 -4.527 -27.520 20.788 938 HD1 TYR 246 HD1 TYR 246 -2.155 -28.086 21.282 939 HD2 TYR 246 HD2 TYR 246 -3.826 -24.312 22.309 940 HE1 TYR 246 HE1 TYR 246 -0.286 -27.688 22.827 941 HE2 TYR 246 HE2 TYR 246 -1.959 -23.900 23.853 942 HH TYR 246 HH TYR 246 -0.312 -25.218 25.137 943 H ASP 247 H ASP 247 -5.639 -24.583 18.247 944 HA ASP 247 HA ASP 247 -7.381 -26.717 17.258 945 HB2 ASP 247 HB2 ASP 247 -7.760 -23.794 17.817 946 HB3 ASP 247 HB3 ASP 247 -8.853 -24.619 16.712 947 H VAL 248 H VAL 248 -7.980 -26.881 15.103 948 HA VAL 248 HA VAL 248 -6.084 -25.760 13.214 949 HB VAL 248 HB VAL 248 -7.261 -27.179 11.532 950 HG11 VAL 248 HG21 VAL 248 -6.339 -28.606 14.023 951 HG12 VAL 248 HG22 VAL 248 -5.309 -28.018 12.719 952 HG13 VAL 248 HG23 VAL 248 -6.459 -29.319 12.415 953 HG21 VAL 248 HG13 VAL 248 -8.881 -28.843 12.290 954 HG22 VAL 248 HG11 VAL 248 -9.480 -27.208 12.564 955 HG23 VAL 248 HG12 VAL 248 -8.844 -28.150 13.911 956 H GLU 249 H GLU 249 -7.642 -23.809 14.364 957 HA GLU 249 HA GLU 249 -9.854 -23.140 12.642 958 HB2 GLU 249 HB2 GLU 249 -9.833 -22.519 15.042 959 HB3 GLU 249 HB3 GLU 249 -8.452 -21.472 14.742 960 HG2 GLU 249 HG3 GLU 249 -9.867 -20.186 13.147 961 HG3 GLU 249 HG2 GLU 249 -11.241 -21.159 13.665 962 H MET 250 H MET 250 -9.748 -22.002 10.819 963 HA MET 250 HA MET 250 -7.258 -20.536 10.227 964 HB2 MET 250 HB3 MET 250 -8.997 -21.946 8.196 965 HB3 MET 250 HB2 MET 250 -7.439 -21.186 7.912 966 HG2 MET 250 HG3 MET 250 -7.941 -23.646 9.570 967 HG3 MET 250 HG2 MET 250 -7.238 -23.599 7.955 968 HE1 MET 250 HE1 MET 250 -6.001 -25.042 10.543 969 HE2 MET 250 HE2 MET 250 -4.294 -24.634 10.382 970 HE3 MET 250 HE3 MET 250 -5.222 -25.112 8.962 971 H GLU 251 H GLU 251 -9.687 -19.631 11.469 972 HA GLU 251 HA GLU 251 -11.404 -18.391 9.580 973 HB2 GLU 251 HB2 GLU 251 -12.006 -19.097 11.891 974 HB3 GLU 251 HB3 GLU 251 -11.112 -17.716 12.500 975 HG2 GLU 251 HG3 GLU 251 -13.442 -17.177 12.433 976 HG3 GLU 251 HG2 GLU 251 -12.607 -16.243 11.191 977 H SER 252 H SER 252 -10.454 -17.055 8.288 978 HA SER 252 HA SER 252 -9.619 -14.463 9.127 979 HB2 SER 252 HB3 SER 252 -7.480 -16.291 7.996 980 HB3 SER 252 HB2 SER 252 -7.296 -14.564 8.294 981 HG SER 252 HG SER 252 -8.174 -15.750 10.527 982 H GLU 253 H GLU 253 -9.775 -16.913 6.616 983 HA GLU 253 HA GLU 253 -9.107 -15.495 4.368 984 HB2 GLU 253 HB2 GLU 253 -9.488 -17.940 4.516 985 HB3 GLU 253 HB3 GLU 253 -11.217 -17.644 4.607 986 HG2 GLU 253 HG3 GLU 253 -10.674 -18.276 2.378 987 HG3 GLU 253 HG2 GLU 253 -11.097 -16.567 2.394 988 H GLU 254 H GLU 254 -12.387 -15.946 5.697 989 HA GLU 254 HA GLU 254 -13.643 -14.455 3.644 990 HB2 GLU 254 HB2 GLU 254 -14.564 -15.415 6.341 991 HB3 GLU 254 HB3 GLU 254 -15.602 -14.449 5.307 992 HG2 GLU 254 HG3 GLU 254 -16.156 -16.735 5.006 993 HG3 GLU 254 HG2 GLU 254 -15.368 -16.164 3.544 994 H GLU 255 H GLU 255 -12.715 -13.615 6.964 995 HA GLU 255 HA GLU 255 -13.983 -11.064 6.881 996 HB2 GLU 255 HB2 GLU 255 -11.997 -12.285 8.779 997 HB3 GLU 255 HB3 GLU 255 -12.674 -10.678 9.005 998 HG2 GLU 255 HG3 GLU 255 -14.866 -11.542 9.254 999 HG3 GLU 255 HG2 GLU 255 -14.362 -13.146 8.728 1000 H SER 256 H SER 256 -10.738 -12.179 6.166 1001 HA SER 256 HA SER 256 -9.866 -9.402 5.844 1002 HB2 SER 256 HB3 SER 256 -8.268 -11.968 5.827 1003 HB3 SER 256 HB2 SER 256 -7.599 -10.344 5.695 1004 HG SER 256 HG SER 256 -8.429 -9.902 7.775 1005 H ASP 257 H ASP 257 -11.634 -11.031 3.979 1006 HA ASP 257 HA ASP 257 -10.002 -11.305 1.604 1007 HB2 ASP 257 HB2 ASP 257 -11.866 -12.878 2.051 1008 HB3 ASP 257 HB3 ASP 257 -13.003 -11.544 1.890 1009 H ASP 258 H ASP 258 -11.949 -8.890 3.071 1010 HA ASP 258 HA ASP 258 -12.856 -7.461 0.855 1011 HB2 ASP 258 HB2 ASP 258 -13.611 -7.001 3.153 1012 HB3 ASP 258 HB3 ASP 258 -12.019 -6.355 3.542 1013 H ASP 259 H ASP 259 -9.834 -7.143 2.664 1014 HA ASP 259 HA ASP 259 -8.764 -5.503 0.482 1015 HB2 ASP 259 HB2 ASP 259 -7.487 -6.163 3.147 1016 HB3 ASP 259 HB3 ASP 259 -6.834 -5.073 1.929 1017 H GLY 260 H GLY 260 -8.446 -8.569 2.084 1018 HA2 GLY 260 HA3 GLY 260 -7.427 -10.513 1.317 1019 HA3 GLY 260 HA2 GLY 260 -6.752 -9.601 -0.029 1020 H PHE 261 H PHE 261 -6.112 -7.728 2.467 1021 HA PHE 261 HA PHE 261 -3.518 -8.955 3.065 1022 HB2 PHE 261 HB3 PHE 261 -3.985 -5.997 2.705 1023 HB3 PHE 261 HB2 PHE 261 -2.442 -6.822 2.860 1024 HD1 PHE 261 HD2 PHE 261 -3.174 -9.080 0.857 1025 HD2 PHE 261 HD1 PHE 261 -3.469 -4.844 0.724 1026 HE1 PHE 261 HE2 PHE 261 -3.019 -9.150 -1.594 1027 HE2 PHE 261 HE1 PHE 261 -3.314 -4.908 -1.724 1028 HZ PHE 261 HZ PHE 261 -3.089 -7.060 -2.889 1029 H VAL 262 H VAL 262 -2.495 -7.578 4.971 1030 HA VAL 262 HA VAL 262 -4.539 -6.520 6.782 1031 HB VAL 262 HB VAL 262 -4.077 -8.930 7.388 1032 HG11 VAL 262 HG21 VAL 262 -1.353 -7.848 8.096 1033 HG12 VAL 262 HG22 VAL 262 -1.718 -9.026 6.836 1034 HG13 VAL 262 HG23 VAL 262 -1.966 -9.443 8.532 1035 HG21 VAL 262 HG13 VAL 262 -3.346 -6.841 9.437 1036 HG22 VAL 262 HG11 VAL 262 -3.835 -8.498 9.794 1037 HG23 VAL 262 HG12 VAL 262 -4.973 -7.388 9.031 1038 H GLU 263 H GLU 263 -3.719 -4.946 8.245 1039 HA GLU 263 HA GLU 263 -1.030 -4.004 7.564 1040 HB2 GLU 263 HB2 GLU 263 -1.683 -1.827 8.413 1041 HB3 GLU 263 HB3 GLU 263 -2.833 -2.371 7.207 1042 HG2 GLU 263 HG3 GLU 263 -4.331 -1.651 8.704 1043 HG3 GLU 263 HG2 GLU 263 -4.060 -3.234 9.432 1044 H VAL 264 H VAL 264 0.546 -3.921 9.038 1045 HA VAL 264 HA VAL 264 -0.066 -5.044 11.674 1046 HB VAL 264 HB VAL 264 2.622 -4.728 10.309 1047 HG11 VAL 264 HG21 VAL 264 2.799 -4.691 12.746 1048 HG12 VAL 264 HG22 VAL 264 3.457 -6.191 12.094 1049 HG13 VAL 264 HG23 VAL 264 1.864 -6.181 12.847 1050 HG21 VAL 264 HG13 VAL 264 0.900 -7.181 10.697 1051 HG22 VAL 264 HG11 VAL 264 2.530 -7.166 10.021 1052 HG23 VAL 264 HG12 VAL 264 1.212 -6.360 9.169 1053 H ASP 265 H ASP 265 -0.466 -3.553 13.149 1054 HA ASP 265 HA ASP 265 0.960 -0.989 13.030 1055 HB2 ASP 265 HB2 ASP 265 -1.545 -0.959 13.052 1056 HB3 ASP 265 HB3 ASP 265 -1.499 -1.684 14.642 Start of MODEL 13 1 H2 PRO 1 H2 PRO 1 17.425 -7.546 0.602 2 H3 PRO 1 H3 PRO 1 16.446 -8.327 1.646 3 HA PRO 1 HA PRO 1 15.853 -6.481 -0.339 4 HB2 PRO 1 HB3 PRO 1 13.540 -8.086 -0.396 5 HB3 PRO 1 HB2 PRO 1 14.647 -7.766 -1.740 6 HG2 PRO 1 HG3 PRO 1 14.571 -10.068 0.142 7 HG3 PRO 1 HG2 PRO 1 15.028 -10.028 -1.572 8 HD2 PRO 1 HD2 PRO 1 16.896 -10.242 0.310 9 HD3 PRO 1 HD3 PRO 1 17.168 -9.217 -1.110 10 H SER 2 H SER 2 16.053 -5.457 1.791 11 HA SER 2 HA SER 2 13.820 -5.982 3.592 12 HB2 SER 2 HB3 SER 2 16.073 -5.969 4.564 13 HB3 SER 2 HB2 SER 2 16.244 -4.313 4.039 14 HG SER 2 HG SER 2 15.050 -5.270 6.245 15 H HIS 3 H HIS 3 15.582 -3.042 2.653 16 HA HIS 3 HA HIS 3 13.061 -1.556 2.715 17 HB2 HIS 3 HB3 HIS 3 15.954 -0.677 2.528 18 HB3 HIS 3 HB2 HIS 3 14.607 0.442 2.382 19 HD1 HIS 3 HD1 HIS 3 16.137 -1.935 4.916 20 HD2 HIS 3 HD2 HIS 3 13.680 1.413 4.745 21 HE1 HIS 3 HE1 HIS 3 15.786 -1.230 7.304 22 HE2 HIS 3 HE2 HIS 3 14.164 0.693 7.182 23 H SER 4 H SER 4 13.932 -3.473 0.610 24 HA SER 4 HA SER 4 13.137 -1.990 -1.709 25 HB2 SER 4 HB3 SER 4 15.945 -3.140 -1.727 26 HB3 SER 4 HB2 SER 4 15.120 -2.344 -3.071 27 HG SER 4 HG SER 4 15.069 -0.712 -0.962 28 H GLY 5 H GLY 5 12.583 -3.403 -3.436 29 HA2 GLY 5 HA3 GLY 5 13.198 -6.138 -3.579 30 HA3 GLY 5 HA2 GLY 5 11.696 -5.966 -2.676 31 H ALA 6 H ALA 6 12.390 -7.026 -5.455 32 HA ALA 6 HA ALA 6 11.255 -5.193 -7.306 33 HB1 ALA 6 HB1 ALA 6 11.347 -6.996 -8.910 34 HB2 ALA 6 HB2 ALA 6 11.636 -8.164 -7.617 35 HB3 ALA 6 HB3 ALA 6 12.844 -6.929 -7.980 36 H ALA 7 H ALA 7 9.120 -4.767 -7.641 37 HA ALA 7 HA ALA 7 7.135 -6.792 -6.837 38 HB1 ALA 7 HB1 ALA 7 7.256 -5.111 -5.061 39 HB2 ALA 7 HB2 ALA 7 5.697 -5.064 -5.888 40 HB3 ALA 7 HB3 ALA 7 6.922 -3.844 -6.241 41 H ILE 8 H ILE 8 5.074 -6.565 -7.800 42 HA ILE 8 HA ILE 8 5.097 -5.376 -10.486 43 HB ILE 8 HB ILE 8 3.284 -7.406 -9.154 44 HG12 ILE 8 HG13 ILE 8 3.986 -8.811 -11.147 45 HG13 ILE 8 HG12 ILE 8 5.195 -7.585 -11.485 46 HG21 ILE 8 HG21 ILE 8 2.012 -7.516 -11.232 47 HG22 ILE 8 HG22 ILE 8 2.966 -6.181 -11.882 48 HG23 ILE 8 HG23 ILE 8 1.917 -5.918 -10.487 49 HD11 ILE 8 HD11 ILE 8 5.009 -9.234 -8.977 50 HD12 ILE 8 HD12 ILE 8 6.229 -8.007 -9.316 51 HD13 ILE 8 HD13 ILE 8 6.152 -9.469 -10.298 52 H PHE 9 H PHE 9 4.155 -3.484 -10.771 53 HA PHE 9 HA PHE 9 2.010 -2.727 -8.921 54 HB2 PHE 9 HB3 PHE 9 3.948 -1.418 -8.358 55 HB3 PHE 9 HB2 PHE 9 4.227 -1.013 -10.046 56 HD1 PHE 9 HD1 PHE 9 1.962 -0.455 -7.182 57 HD2 PHE 9 HD2 PHE 9 3.207 0.850 -11.033 58 HE1 PHE 9 HE1 PHE 9 0.692 1.627 -6.886 59 HE2 PHE 9 HE2 PHE 9 1.928 2.928 -10.745 60 HZ PHE 9 HZ PHE 9 0.670 3.319 -8.669 61 H GLU 10 H GLU 10 0.161 -2.674 -9.979 62 HA GLU 10 HA GLU 10 -1.405 -2.487 -11.594 63 HB2 GLU 10 HB2 GLU 10 0.535 -0.509 -12.814 64 HB3 GLU 10 HB3 GLU 10 -1.134 -0.736 -13.319 65 HG2 GLU 10 HG3 GLU 10 -1.796 -0.159 -10.957 66 HG3 GLU 10 HG2 GLU 10 -0.125 0.344 -10.709 67 H LYS 11 H LYS 11 0.148 -4.603 -11.692 68 HA LYS 11 HA LYS 11 0.241 -6.458 -12.946 69 HB2 LYS 11 HB2 LYS 11 -0.748 -4.835 -15.270 70 HB3 LYS 11 HB3 LYS 11 -0.805 -6.587 -15.094 71 HG2 LYS 11 HG2 LYS 11 -2.204 -4.640 -13.308 72 HG3 LYS 11 HG3 LYS 11 -2.968 -5.504 -14.628 73 HD2 LYS 11 HD2 LYS 11 -2.821 -7.513 -13.518 74 HD3 LYS 11 HD3 LYS 11 -1.555 -6.950 -12.450 75 HE2 LYS 11 HE2 LYS 11 -3.200 -5.407 -11.434 76 HE3 LYS 11 HE3 LYS 11 -4.454 -6.156 -12.422 77 HZ1 LYS 11 HZ1 LYS 11 -2.812 -7.493 -10.338 78 HZ2 LYS 11 HZ2 LYS 11 -3.898 -8.292 -11.355 79 HZ3 LYS 11 HZ3 LYS 11 -4.464 -7.144 -10.251 80 H VAL 12 H VAL 12 2.117 -3.758 -13.631 81 HA VAL 12 HA VAL 12 3.871 -5.324 -15.378 82 HB VAL 12 HB VAL 12 3.810 -3.216 -16.343 83 HG11 VAL 12 HG21 VAL 12 2.517 -2.069 -14.654 84 HG12 VAL 12 HG22 VAL 12 3.915 -1.095 -15.120 85 HG13 VAL 12 HG23 VAL 12 3.929 -1.992 -13.597 86 HG21 VAL 12 HG13 VAL 12 6.123 -3.212 -14.417 87 HG22 VAL 12 HG11 VAL 12 5.964 -2.077 -15.765 88 HG23 VAL 12 HG12 VAL 12 6.103 -3.806 -16.081 89 H SER 13 H SER 13 5.695 -6.211 -14.673 90 HA SER 13 HA SER 13 6.290 -6.149 -11.866 91 HB2 SER 13 HB3 SER 13 6.493 -8.218 -13.253 92 HB3 SER 13 HB2 SER 13 7.846 -7.471 -14.100 93 HG SER 13 HG SER 13 8.044 -8.905 -11.997 94 H GLY 14 H GLY 14 7.768 -4.992 -10.845 95 HA2 GLY 14 HA3 GLY 14 9.954 -3.766 -12.301 96 HA3 GLY 14 HA2 GLY 14 8.819 -2.674 -11.528 97 H ILE 15 H ILE 15 10.517 -1.899 -10.174 98 HA ILE 15 HA ILE 15 11.179 -3.762 -8.031 99 HB ILE 15 HB ILE 15 12.959 -1.499 -8.813 100 HG12 ILE 15 HG13 ILE 15 12.717 -3.120 -10.693 101 HG13 ILE 15 HG12 ILE 15 14.337 -2.999 -10.056 102 HG21 ILE 15 HG21 ILE 15 14.645 -2.746 -7.563 103 HG22 ILE 15 HG22 ILE 15 13.447 -3.984 -7.197 104 HG23 ILE 15 HG23 ILE 15 13.250 -2.352 -6.560 105 HD11 ILE 15 HD11 ILE 15 14.074 -5.090 -8.903 106 HD12 ILE 15 HD12 ILE 15 13.698 -5.275 -10.620 107 HD13 ILE 15 HD13 ILE 15 12.394 -5.186 -9.435 108 H ILE 16 H ILE 16 11.419 -2.865 -5.958 109 HA ILE 16 HA ILE 16 10.131 -0.250 -5.597 110 HB ILE 16 HB ILE 16 9.174 -2.815 -4.742 111 HG12 ILE 16 HG13 ILE 16 8.149 -0.034 -4.181 112 HG13 ILE 16 HG12 ILE 16 7.890 -0.912 -5.681 113 HG21 ILE 16 HG21 ILE 16 9.732 -0.894 -2.476 114 HG22 ILE 16 HG22 ILE 16 10.470 -2.481 -2.695 115 HG23 ILE 16 HG23 ILE 16 8.741 -2.350 -2.372 116 HD11 ILE 16 HD11 ILE 16 6.659 -2.625 -4.475 117 HD12 ILE 16 HD12 ILE 16 5.951 -1.029 -4.221 118 HD13 ILE 16 HD13 ILE 16 6.942 -1.766 -2.961 119 H ALA 17 H ALA 17 11.203 1.093 -4.299 120 HA ALA 17 HA ALA 17 13.072 -0.056 -2.359 121 HB1 ALA 17 HB1 ALA 17 14.447 0.547 -4.201 122 HB2 ALA 17 HB2 ALA 17 14.709 1.718 -2.909 123 HB3 ALA 17 HB3 ALA 17 13.710 2.149 -4.301 124 H ILE 18 H ILE 18 12.212 0.513 -0.474 125 HA ILE 18 HA ILE 18 11.093 3.127 -0.007 126 HB ILE 18 HB ILE 18 11.876 1.134 2.111 127 HG12 ILE 18 HG13 ILE 18 9.221 0.823 1.999 128 HG13 ILE 18 HG12 ILE 18 9.518 1.179 0.302 129 HG21 ILE 18 HG21 ILE 18 11.498 3.468 2.816 130 HG22 ILE 18 HG22 ILE 18 10.297 2.356 3.487 131 HG23 ILE 18 HG23 ILE 18 9.872 3.391 2.124 132 HD11 ILE 18 HD11 ILE 18 10.751 -1.037 1.903 133 HD12 ILE 18 HD12 ILE 18 11.139 -0.651 0.228 134 HD13 ILE 18 HD13 ILE 18 9.518 -1.181 0.656 135 H ASN 19 H ASN 19 12.459 4.792 0.224 136 HA ASN 19 HA ASN 19 15.044 4.273 1.524 137 HB2 ASN 19 HB2 ASN 19 15.693 4.814 -0.639 138 HB3 ASN 19 HB3 ASN 19 14.326 5.893 -0.881 139 HD21 ASN 19 HD21 ASN 19 14.455 8.001 -0.216 140 HD22 ASN 19 HD22 ASN 19 15.946 8.753 0.243 141 H GLU 20 H GLU 20 15.107 5.179 3.524 142 HA GLU 20 HA GLU 20 13.850 7.828 3.618 143 HB2 GLU 20 HB2 GLU 20 15.065 6.214 5.873 144 HB3 GLU 20 HB3 GLU 20 14.213 7.735 6.035 145 HG2 GLU 20 HG3 GLU 20 12.190 6.604 5.137 146 HG3 GLU 20 HG2 GLU 20 13.079 5.089 5.249 147 H ASP 21 H ASP 21 15.689 8.391 2.138 148 HA ASP 21 HA ASP 21 17.680 9.667 3.871 149 HB2 ASP 21 HB2 ASP 21 18.837 8.405 2.159 150 HB3 ASP 21 HB3 ASP 21 17.784 9.050 0.910 151 H VAL 22 H VAL 22 14.823 9.806 2.480 152 HA VAL 22 HA VAL 22 15.116 12.264 0.928 153 HB VAL 22 HB VAL 22 14.437 10.116 -0.127 154 HG11 VAL 22 HG21 VAL 22 12.385 9.040 0.349 155 HG12 VAL 22 HG22 VAL 22 11.864 10.364 1.391 156 HG13 VAL 22 HG23 VAL 22 13.193 9.319 1.892 157 HG21 VAL 22 HG13 VAL 22 12.289 10.915 -1.215 158 HG22 VAL 22 HG11 VAL 22 13.713 11.959 -1.376 159 HG23 VAL 22 HG12 VAL 22 12.453 12.361 -0.209 160 H SER 23 H SER 23 13.069 13.584 0.782 161 HA SER 23 HA SER 23 11.896 14.513 3.121 162 HB2 SER 23 HB3 SER 23 10.079 15.295 1.503 163 HB3 SER 23 HB2 SER 23 11.713 15.769 1.074 164 HG SER 23 HG SER 23 10.759 13.348 0.057 165 HA PRO 24 HA PRO 24 9.501 11.946 5.209 166 HB2 PRO 24 HB3 PRO 24 6.839 11.735 4.377 167 HB3 PRO 24 HB2 PRO 24 7.453 12.907 5.548 168 HG2 PRO 24 HG3 PRO 24 7.046 13.211 2.591 169 HG3 PRO 24 HG2 PRO 24 6.584 14.324 3.885 170 HD2 PRO 24 HD2 PRO 24 8.745 14.857 2.527 171 HD3 PRO 24 HD3 PRO 24 8.879 14.905 4.301 172 H ALA 25 H ALA 25 9.551 9.778 5.214 173 HA ALA 25 HA ALA 25 11.016 8.652 3.355 174 HB1 ALA 25 HB1 ALA 25 8.968 6.930 4.667 175 HB2 ALA 25 HB2 ALA 25 10.339 7.622 5.534 176 HB3 ALA 25 HB3 ALA 25 10.612 6.522 4.180 177 H GLU 26 H GLU 26 10.986 7.592 1.522 178 HA GLU 26 HA GLU 26 8.449 7.546 0.139 179 HB2 GLU 26 HB2 GLU 26 10.924 8.983 -0.716 180 HB3 GLU 26 HB3 GLU 26 9.922 8.225 -1.952 181 HG2 GLU 26 HG3 GLU 26 7.993 9.486 -1.179 182 HG3 GLU 26 HG2 GLU 26 8.970 10.219 0.090 183 H LEU 27 H LEU 27 8.037 5.883 -1.063 184 HA LEU 27 HA LEU 27 10.048 3.758 -1.413 185 HB2 LEU 27 HB2 LEU 27 8.015 2.954 -0.457 186 HB3 LEU 27 HB3 LEU 27 7.032 3.908 -1.537 187 HG LEU 27 HG LEU 27 8.680 1.560 -2.497 188 HD11 LEU 27 HD11 LEU 27 7.082 0.881 -0.759 189 HD12 LEU 27 HD12 LEU 27 6.669 0.246 -2.351 190 HD13 LEU 27 HD13 LEU 27 5.785 1.629 -1.698 191 HD21 LEU 27 HD21 LEU 27 7.130 1.560 -4.381 192 HD22 LEU 27 HD22 LEU 27 7.907 3.136 -4.243 193 HD23 LEU 27 HD23 LEU 27 6.249 2.920 -3.685 194 H THR 28 H THR 28 10.581 3.140 -3.505 195 HA THR 28 HA THR 28 9.429 4.829 -5.609 196 HB THR 28 HB THR 28 12.329 4.014 -5.555 197 HG1 THR 28 HG1 THR 28 11.263 6.574 -4.885 198 HG21 THR 28 HG21 THR 28 12.452 5.925 -7.184 199 HG22 THR 28 HG22 THR 28 10.680 5.946 -7.169 200 HG23 THR 28 HG23 THR 28 11.548 4.516 -7.742 201 H TRP 29 H TRP 29 8.245 3.485 -6.791 202 HA TRP 29 HA TRP 29 9.256 0.805 -7.316 203 HB2 TRP 29 HB3 TRP 29 6.843 1.066 -6.847 204 HB3 TRP 29 HB2 TRP 29 6.692 2.106 -8.261 205 HD1 TRP 29 HD1 TRP 29 7.373 -1.579 -7.346 206 HE1 TRP 29 HE1 TRP 29 6.839 -3.041 -9.397 207 HE3 TRP 29 HE3 TRP 29 6.418 2.124 -10.721 208 HZ2 TRP 29 HZ2 TRP 29 6.116 -2.655 -12.096 209 HZ3 TRP 29 HZ3 TRP 29 5.803 1.495 -13.010 210 HH2 TRP 29 HH2 TRP 29 5.659 -0.842 -13.686 211 H ARG 30 H ARG 30 10.758 0.708 -8.714 212 HA ARG 30 HA ARG 30 10.649 2.352 -11.157 213 HB2 ARG 30 HB2 ARG 30 12.525 2.909 -9.716 214 HB3 ARG 30 HB3 ARG 30 12.980 1.225 -9.584 215 HG2 ARG 30 HG2 ARG 30 12.959 2.531 -12.250 216 HG3 ARG 30 HG3 ARG 30 14.290 2.844 -11.139 217 HD2 ARG 30 HD2 ARG 30 14.497 0.349 -10.912 218 HD3 ARG 30 HD3 ARG 30 13.372 0.223 -12.254 219 HE ARG 30 HE ARG 30 15.414 1.925 -13.065 220 HH11 ARG 30 HH11 ARG 30 15.036 -1.432 -12.162 221 HH12 ARG 30 HH12 ARG 30 16.359 -1.977 -13.145 222 HH21 ARG 30 HH21 ARG 30 17.153 1.214 -14.354 223 HH22 ARG 30 HH22 ARG 30 17.566 -0.473 -14.386 224 H SER 31 H SER 31 10.122 1.151 -12.922 225 HA SER 31 HA SER 31 9.676 -1.598 -12.710 226 HB2 SER 31 HB3 SER 31 9.201 -1.548 -15.104 227 HB3 SER 31 HB2 SER 31 8.484 -0.151 -14.308 228 HG SER 31 HG SER 31 9.764 0.099 -16.372 229 H THR 32 H THR 32 10.689 -3.348 -13.567 230 HA THR 32 HA THR 32 13.400 -3.549 -13.010 231 HB THR 32 HB THR 32 11.841 -5.402 -14.824 232 HG1 THR 32 HG1 THR 32 11.994 -5.351 -11.971 233 HG21 THR 32 HG21 THR 32 13.304 -7.129 -13.884 234 HG22 THR 32 HG22 THR 32 14.140 -5.908 -12.924 235 HG23 THR 32 HG23 THR 32 14.249 -5.871 -14.683 236 H ASP 33 H ASP 33 11.818 -2.655 -15.958 237 HA ASP 33 HA ASP 33 14.176 -3.058 -17.599 238 HB2 ASP 33 HB2 ASP 33 12.018 -3.604 -18.559 239 HB3 ASP 33 HB3 ASP 33 11.425 -1.980 -18.237 240 H GLY 34 H GLY 34 12.935 -0.593 -15.622 241 HA2 GLY 34 HA3 GLY 34 13.802 1.540 -15.260 242 HA3 GLY 34 HA2 GLY 34 14.864 1.313 -16.646 243 H ASP 35 H ASP 35 11.520 0.670 -16.941 244 HA ASP 35 HA ASP 35 11.324 2.598 -19.068 245 HB2 ASP 35 HB2 ASP 35 10.490 0.377 -19.468 246 HB3 ASP 35 HB3 ASP 35 9.429 0.502 -18.076 247 H LYS 36 H LYS 36 9.876 2.072 -15.908 248 HA LYS 36 HA LYS 36 8.903 4.810 -15.933 249 HB2 LYS 36 HB2 LYS 36 6.640 4.223 -15.248 250 HB3 LYS 36 HB3 LYS 36 6.999 3.515 -16.814 251 HG2 LYS 36 HG2 LYS 36 7.401 1.383 -15.790 252 HG3 LYS 36 HG3 LYS 36 7.119 2.065 -14.199 253 HD2 LYS 36 HD2 LYS 36 5.158 0.846 -15.052 254 HD3 LYS 36 HD3 LYS 36 4.813 2.553 -14.776 255 HE2 LYS 36 HE2 LYS 36 5.073 2.981 -17.169 256 HE3 LYS 36 HE3 LYS 36 5.442 1.278 -17.431 257 HZ1 LYS 36 HZ1 LYS 36 3.147 1.763 -17.950 258 HZ2 LYS 36 HZ2 LYS 36 2.880 2.347 -16.388 259 HZ3 LYS 36 HZ3 LYS 36 3.239 0.712 -16.631 260 H VAL 37 H VAL 37 8.068 5.448 -13.818 261 HA VAL 37 HA VAL 37 9.134 3.981 -11.531 262 HB VAL 37 HB VAL 37 10.031 6.796 -12.231 263 HG11 VAL 37 HG21 VAL 37 9.562 6.596 -9.845 264 HG12 VAL 37 HG22 VAL 37 11.293 6.756 -10.144 265 HG13 VAL 37 HG23 VAL 37 10.607 5.178 -9.752 266 HG21 VAL 37 HG13 VAL 37 12.287 5.875 -12.224 267 HG22 VAL 37 HG11 VAL 37 11.278 5.053 -13.414 268 HG23 VAL 37 HG12 VAL 37 11.643 4.271 -11.876 269 H HIS 38 H HIS 38 7.880 4.174 -9.836 270 HA HIS 38 HA HIS 38 5.991 6.419 -9.691 271 HB2 HIS 38 HB3 HIS 38 5.230 3.979 -10.469 272 HB3 HIS 38 HB2 HIS 38 5.169 3.752 -8.728 273 HD1 HIS 38 HD1 HIS 38 3.440 5.382 -11.565 274 HD2 HIS 38 HD2 HIS 38 3.172 5.339 -7.417 275 HE1 HIS 38 HE1 HIS 38 1.226 6.438 -11.023 276 HE2 HIS 38 HE2 HIS 38 1.111 6.475 -8.510 277 H THR 39 H THR 39 6.593 7.513 -7.917 278 HA THR 39 HA THR 39 7.819 6.020 -5.718 279 HB THR 39 HB THR 39 7.773 9.013 -6.155 280 HG1 THR 39 HG1 THR 39 9.339 8.668 -7.533 281 HG21 THR 39 HG21 THR 39 9.528 7.288 -4.404 282 HG22 THR 39 HG22 THR 39 8.172 8.259 -3.832 283 HG23 THR 39 HG23 THR 39 9.586 9.046 -4.540 284 H VAL 40 H VAL 40 6.941 5.955 -3.687 285 HA VAL 40 HA VAL 40 4.326 7.265 -3.275 286 HB VAL 40 HB VAL 40 5.520 4.742 -2.143 287 HG11 VAL 40 HG21 VAL 40 3.423 4.540 -0.823 288 HG12 VAL 40 HG22 VAL 40 3.068 6.218 -1.234 289 HG13 VAL 40 HG23 VAL 40 4.499 5.827 -0.283 290 HG21 VAL 40 HG13 VAL 40 2.848 5.104 -3.441 291 HG22 VAL 40 HG11 VAL 40 3.758 3.613 -3.182 292 HG23 VAL 40 HG12 VAL 40 4.313 4.789 -4.382 293 H VAL 41 H VAL 41 4.200 8.847 -1.743 294 HA VAL 41 HA VAL 41 6.362 9.164 0.181 295 HB VAL 41 HB VAL 41 3.903 10.896 -0.181 296 HG11 VAL 41 HG21 VAL 41 4.802 11.103 2.049 297 HG12 VAL 41 HG22 VAL 41 5.230 12.552 1.139 298 HG13 VAL 41 HG23 VAL 41 6.435 11.297 1.417 299 HG21 VAL 41 HG13 VAL 41 6.718 11.278 -1.198 300 HG22 VAL 41 HG11 VAL 41 5.435 12.486 -1.279 301 HG23 VAL 41 HG12 VAL 41 5.281 10.974 -2.174 302 H LEU 42 H LEU 42 6.240 7.891 1.814 303 HA LEU 42 HA LEU 42 4.096 6.474 2.805 304 HB2 LEU 42 HB2 LEU 42 6.693 7.318 4.028 305 HB3 LEU 42 HB3 LEU 42 5.505 6.424 4.963 306 HG LEU 42 HG LEU 42 7.395 5.096 3.863 307 HD11 LEU 42 HD11 LEU 42 5.931 3.222 3.472 308 HD12 LEU 42 HD12 LEU 42 4.547 4.297 3.309 309 HD13 LEU 42 HD13 LEU 42 5.368 4.141 4.863 310 HD21 LEU 42 HD21 LEU 42 5.686 5.567 1.428 311 HD22 LEU 42 HD22 LEU 42 6.956 4.352 1.564 312 HD23 LEU 42 HD23 LEU 42 7.365 6.066 1.651 313 H SER 43 H SER 43 4.994 9.780 3.511 314 HA SER 43 HA SER 43 3.402 9.939 5.879 315 HB2 SER 43 HB3 SER 43 5.291 11.452 5.569 316 HB3 SER 43 HB2 SER 43 4.508 12.150 4.156 317 HG SER 43 HG SER 43 3.262 13.304 5.407 318 H THR 44 H THR 44 2.891 10.632 2.456 319 HA THR 44 HA THR 44 0.247 11.683 2.885 320 HB THR 44 HB THR 44 -0.031 11.576 0.455 321 HG1 THR 44 HG1 THR 44 2.065 9.795 0.656 322 HG21 THR 44 HG21 THR 44 2.684 12.616 1.263 323 HG22 THR 44 HG22 THR 44 1.158 13.493 1.370 324 HG23 THR 44 HG23 THR 44 1.816 13.056 -0.206 325 H ILE 45 H ILE 45 1.647 8.651 2.885 326 HA ILE 45 HA ILE 45 -0.639 7.103 2.206 327 HB ILE 45 HB ILE 45 1.925 6.400 3.613 328 HG12 ILE 45 HG13 ILE 45 2.200 7.073 1.267 329 HG13 ILE 45 HG12 ILE 45 2.541 5.369 1.486 330 HG21 ILE 45 HG21 ILE 45 -0.216 4.564 2.574 331 HG22 ILE 45 HG22 ILE 45 0.140 4.881 4.271 332 HG23 ILE 45 HG23 ILE 45 1.332 4.075 3.255 333 HD11 ILE 45 HD11 ILE 45 0.242 4.868 0.640 334 HD12 ILE 45 HD12 ILE 45 1.315 5.620 -0.543 335 HD13 ILE 45 HD13 ILE 45 0.074 6.584 0.264 336 H ASP 46 H ASP 46 -2.344 6.808 3.436 337 HA ASP 46 HA ASP 46 -2.523 7.477 6.197 338 HB2 ASP 46 HB2 ASP 46 -4.502 7.707 4.941 339 HB3 ASP 46 HB3 ASP 46 -4.335 6.118 4.214 340 H LYS 47 H LYS 47 -2.373 4.394 4.409 341 HA LYS 47 HA LYS 47 -1.379 3.053 6.786 342 HB2 LYS 47 HB2 LYS 47 -3.969 2.953 6.760 343 HB3 LYS 47 HB3 LYS 47 -3.776 1.857 5.388 344 HG2 LYS 47 HG2 LYS 47 -4.087 0.632 7.461 345 HG3 LYS 47 HG3 LYS 47 -2.493 0.325 6.777 346 HD2 LYS 47 HD2 LYS 47 -1.516 1.913 8.357 347 HD3 LYS 47 HD3 LYS 47 -3.111 2.230 9.037 348 HE2 LYS 47 HE2 LYS 47 -3.286 -0.091 9.739 349 HE3 LYS 47 HE3 LYS 47 -1.728 -0.449 9.000 350 HZ1 LYS 47 HZ1 LYS 47 -1.499 -0.165 11.371 351 HZ2 LYS 47 HZ2 LYS 47 -2.189 1.381 11.290 352 HZ3 LYS 47 HZ3 LYS 47 -0.692 1.088 10.566 353 H LEU 48 H LEU 48 -0.481 0.947 6.295 354 HA LEU 48 HA LEU 48 -0.255 0.384 3.417 355 HB2 LEU 48 HB2 LEU 48 1.938 0.804 4.081 356 HB3 LEU 48 HB3 LEU 48 1.694 0.052 5.650 357 HG LEU 48 HG LEU 48 1.494 -2.151 4.433 358 HD11 LEU 48 HD11 LEU 48 2.917 -0.754 2.214 359 HD12 LEU 48 HD12 LEU 48 1.162 -0.918 2.202 360 HD13 LEU 48 HD13 LEU 48 2.184 -2.357 2.226 361 HD21 LEU 48 HD21 LEU 48 4.174 -1.415 3.778 362 HD22 LEU 48 HD22 LEU 48 3.579 -2.435 5.087 363 HD23 LEU 48 HD23 LEU 48 3.695 -0.683 5.309 364 H GLN 49 H GLN 49 -0.452 -1.723 2.788 365 HA GLN 49 HA GLN 49 -1.578 -3.636 4.732 366 HB2 GLN 49 HB2 GLN 49 -2.426 -3.328 1.857 367 HB3 GLN 49 HB3 GLN 49 -3.140 -4.394 3.056 368 HG2 GLN 49 HG2 GLN 49 -3.170 -1.398 3.236 369 HG3 GLN 49 HG3 GLN 49 -4.480 -2.367 2.565 370 HE21 GLN 49 HE21 GLN 49 -4.300 -4.508 4.472 371 HE22 GLN 49 HE22 GLN 49 -4.861 -3.883 5.991 372 H ALA 50 H ALA 50 -1.242 -5.851 4.167 373 HA ALA 50 HA ALA 50 0.357 -6.598 1.901 374 HB1 ALA 50 HB1 ALA 50 2.107 -5.678 3.349 375 HB2 ALA 50 HB2 ALA 50 2.276 -7.430 3.187 376 HB3 ALA 50 HB3 ALA 50 1.579 -6.743 4.651 377 H THR 51 H THR 51 0.297 -8.828 1.558 378 HA THR 51 HA THR 51 -1.965 -10.209 2.414 379 HB THR 51 HB THR 51 -0.834 -12.255 1.565 380 HG1 THR 51 HG1 THR 51 1.341 -11.257 2.196 381 HG21 THR 51 HG21 THR 51 -0.431 -11.372 -0.775 382 HG22 THR 51 HG22 THR 51 -0.778 -9.770 -0.117 383 HG23 THR 51 HG23 THR 51 -2.013 -11.029 -0.066 384 HA PRO 52 HA PRO 52 -0.923 -11.568 6.533 385 HB2 PRO 52 HB3 PRO 52 -3.147 -13.091 6.814 386 HB3 PRO 52 HB2 PRO 52 -3.194 -11.329 6.902 387 HG2 PRO 52 HG3 PRO 52 -3.784 -13.120 4.576 388 HG3 PRO 52 HG2 PRO 52 -4.736 -11.779 5.207 389 HD2 PRO 52 HD2 PRO 52 -3.158 -11.473 3.095 390 HD3 PRO 52 HD3 PRO 52 -3.313 -10.193 4.305 391 H ALA 53 H ALA 53 -0.609 -13.655 7.620 392 HA ALA 53 HA ALA 53 0.745 -15.603 6.170 393 HB1 ALA 53 HB1 ALA 53 0.957 -15.374 8.577 394 HB2 ALA 53 HB2 ALA 53 0.487 -17.021 8.156 395 HB3 ALA 53 HB3 ALA 53 -0.713 -15.897 8.792 396 H SER 54 H SER 54 -2.669 -15.222 6.772 397 HA SER 54 HA SER 54 -3.480 -17.830 5.963 398 HB2 SER 54 HB3 SER 54 -4.815 -16.203 7.364 399 HB3 SER 54 HB2 SER 54 -5.128 -15.299 5.887 400 HG SER 54 HG SER 54 -6.194 -17.090 5.046 401 H SER 55 H SER 55 -2.615 -14.952 4.299 402 HA SER 55 HA SER 55 -3.935 -15.497 1.827 403 HB2 SER 55 HB3 SER 55 -3.239 -13.210 2.350 404 HB3 SER 55 HB2 SER 55 -1.565 -13.737 2.500 405 HG SER 55 HG SER 55 -1.347 -13.626 0.414 406 H GLU 56 H GLU 56 -3.287 -16.766 0.167 407 HA GLU 56 HA GLU 56 -0.982 -18.432 0.451 408 HB2 GLU 56 HB2 GLU 56 -3.210 -19.112 -0.515 409 HB3 GLU 56 HB3 GLU 56 -2.807 -18.129 -1.894 410 HG2 GLU 56 HG3 GLU 56 -0.767 -19.479 -2.177 411 HG3 GLU 56 HG2 GLU 56 -1.417 -20.527 -0.936 412 H LYS 57 H LYS 57 -1.680 -15.396 -0.772 413 HA LYS 57 HA LYS 57 0.528 -15.444 -2.715 414 HB2 LYS 57 HB2 LYS 57 -1.371 -13.167 -2.486 415 HB3 LYS 57 HB3 LYS 57 -0.538 -13.775 -3.904 416 HG2 LYS 57 HG2 LYS 57 -2.871 -15.079 -2.534 417 HG3 LYS 57 HG3 LYS 57 -2.937 -14.175 -4.046 418 HD2 LYS 57 HD2 LYS 57 -1.341 -16.668 -3.566 419 HD3 LYS 57 HD3 LYS 57 -2.921 -16.634 -4.336 420 HE2 LYS 57 HE2 LYS 57 -1.964 -15.129 -6.071 421 HE3 LYS 57 HE3 LYS 57 -0.387 -15.338 -5.312 422 HZ1 LYS 57 HZ1 LYS 57 -0.529 -17.708 -5.758 423 HZ2 LYS 57 HZ2 LYS 57 -0.646 -16.817 -7.188 424 HZ3 LYS 57 HZ3 LYS 57 -2.034 -17.498 -6.502 425 H MET 58 H MET 58 1.554 -13.196 -2.886 426 HA MET 58 HA MET 58 2.127 -12.139 -0.197 427 HB2 MET 58 HB3 MET 58 4.385 -12.167 -2.045 428 HB3 MET 58 HB2 MET 58 4.324 -12.628 -0.357 429 HG2 MET 58 HG3 MET 58 3.271 -14.409 -2.524 430 HG3 MET 58 HG2 MET 58 4.952 -14.442 -2.017 431 HE1 MET 58 HE1 MET 58 4.739 -17.031 -1.481 432 HE2 MET 58 HE2 MET 58 3.047 -17.008 -1.977 433 HE3 MET 58 HE3 MET 58 3.501 -17.715 -0.426 434 H MET 59 H MET 59 1.506 -10.035 -0.303 435 HA MET 59 HA MET 59 2.268 -8.397 -2.565 436 HB2 MET 59 HB3 MET 59 -0.635 -9.040 -2.035 437 HB3 MET 59 HB2 MET 59 -0.115 -7.671 -2.997 438 HG2 MET 59 HG3 MET 59 0.936 -9.196 -4.577 439 HG3 MET 59 HG2 MET 59 0.433 -10.566 -3.604 440 HE1 MET 59 HE1 MET 59 -1.881 -11.796 -3.994 441 HE2 MET 59 HE2 MET 59 -3.331 -10.800 -4.099 442 HE3 MET 59 HE3 MET 59 -2.196 -10.568 -2.775 443 H LEU 60 H LEU 60 1.905 -6.182 -2.245 444 HA LEU 60 HA LEU 60 1.206 -5.378 0.517 445 HB2 LEU 60 HB2 LEU 60 3.500 -4.770 -1.168 446 HB3 LEU 60 HB3 LEU 60 2.702 -3.327 -0.578 447 HG LEU 60 HG LEU 60 2.862 -4.537 1.736 448 HD11 LEU 60 HD11 LEU 60 3.744 -6.644 0.905 449 HD12 LEU 60 HD12 LEU 60 4.904 -5.832 1.965 450 HD13 LEU 60 HD13 LEU 60 5.131 -5.795 0.217 451 HD21 LEU 60 HD21 LEU 60 5.185 -3.255 0.344 452 HD22 LEU 60 HD22 LEU 60 5.028 -3.468 2.086 453 HD23 LEU 60 HD23 LEU 60 3.894 -2.432 1.217 454 H ARG 61 H ARG 61 0.198 -3.244 0.717 455 HA ARG 61 HA ARG 61 -0.481 -1.813 -1.692 456 HB2 ARG 61 HB2 ARG 61 -2.364 -3.386 -1.482 457 HB3 ARG 61 HB3 ARG 61 -2.716 -2.743 0.109 458 HG2 ARG 61 HG2 ARG 61 -3.106 -0.530 -0.911 459 HG3 ARG 61 HG3 ARG 61 -2.860 -1.258 -2.498 460 HD2 ARG 61 HD2 ARG 61 -5.202 -1.153 -2.139 461 HD3 ARG 61 HD3 ARG 61 -4.727 -2.836 -1.958 462 HE ARG 61 HE ARG 61 -4.679 -1.758 0.584 463 HH11 ARG 61 HH11 ARG 61 -7.023 -2.286 -1.940 464 HH12 ARG 61 HH12 ARG 61 -8.389 -2.339 -0.864 465 HH21 ARG 61 HH21 ARG 61 -6.487 -1.805 2.035 466 HH22 ARG 61 HH22 ARG 61 -8.076 -2.068 1.390 467 H LEU 62 H LEU 62 0.131 0.186 -1.274 468 HA LEU 62 HA LEU 62 0.042 1.204 1.469 469 HB2 LEU 62 HB2 LEU 62 1.563 1.878 -0.998 470 HB3 LEU 62 HB3 LEU 62 1.274 3.169 0.139 471 HG LEU 62 HG LEU 62 2.451 0.554 1.027 472 HD11 LEU 62 HD11 LEU 62 4.664 1.441 0.792 473 HD12 LEU 62 HD12 LEU 62 4.030 2.973 0.183 474 HD13 LEU 62 HD13 LEU 62 3.866 1.509 -0.784 475 HD21 LEU 62 HD21 LEU 62 3.272 1.835 2.865 476 HD22 LEU 62 HD22 LEU 62 1.541 2.128 2.691 477 HD23 LEU 62 HD23 LEU 62 2.702 3.330 2.128 478 H ILE 63 H ILE 63 -1.750 2.197 2.050 479 HA ILE 63 HA ILE 63 -3.558 3.386 0.111 480 HB ILE 63 HB ILE 63 -4.105 3.730 2.993 481 HG12 ILE 63 HG13 ILE 63 -3.056 1.482 2.961 482 HG13 ILE 63 HG12 ILE 63 -4.755 1.449 3.425 483 HG21 ILE 63 HG21 ILE 63 -5.667 4.290 1.135 484 HG22 ILE 63 HG22 ILE 63 -6.341 3.242 2.380 485 HG23 ILE 63 HG23 ILE 63 -5.836 2.560 0.836 486 HD11 ILE 63 HD11 ILE 63 -4.179 -0.378 1.957 487 HD12 ILE 63 HD12 ILE 63 -3.657 0.764 0.720 488 HD13 ILE 63 HD13 ILE 63 -5.351 0.701 1.207 489 H GLY 64 H GLY 64 -3.529 5.542 -0.360 490 HA2 GLY 64 HA3 GLY 64 -2.218 7.322 1.576 491 HA3 GLY 64 HA2 GLY 64 -2.567 7.735 -0.086 492 H LYS 65 H LYS 65 -3.225 9.284 2.232 493 HA LYS 65 HA LYS 65 -5.759 8.818 3.290 494 HB2 LYS 65 HB2 LYS 65 -4.223 11.383 2.936 495 HB3 LYS 65 HB3 LYS 65 -5.762 11.298 3.776 496 HG2 LYS 65 HG2 LYS 65 -4.145 11.226 5.455 497 HG3 LYS 65 HG3 LYS 65 -4.672 9.569 5.284 498 HD2 LYS 65 HD2 LYS 65 -2.654 8.884 4.615 499 HD3 LYS 65 HD3 LYS 65 -2.415 10.286 3.580 500 HE2 LYS 65 HE2 LYS 65 -0.753 10.364 5.282 501 HE3 LYS 65 HE3 LYS 65 -1.940 11.609 5.637 502 HZ1 LYS 65 HZ1 LYS 65 -2.940 10.143 7.275 503 HZ2 LYS 65 HZ2 LYS 65 -1.312 10.421 7.624 504 HZ3 LYS 65 HZ3 LYS 65 -1.786 8.954 6.938 505 H VAL 66 H VAL 66 -7.777 9.214 2.657 506 HA VAL 66 HA VAL 66 -8.332 9.726 -0.070 507 HB VAL 66 HB VAL 66 -9.707 8.318 1.457 508 HG11 VAL 66 HG21 VAL 66 -10.692 10.961 2.509 509 HG12 VAL 66 HG22 VAL 66 -9.761 9.758 3.401 510 HG13 VAL 66 HG23 VAL 66 -11.402 9.386 2.869 511 HG21 VAL 66 HG13 VAL 66 -11.260 10.476 0.043 512 HG22 VAL 66 HG11 VAL 66 -11.858 8.877 0.487 513 HG23 VAL 66 HG12 VAL 66 -10.575 9.038 -0.715 514 H ASP 67 H ASP 67 -10.020 11.400 -0.687 515 HA ASP 67 HA ASP 67 -8.862 13.923 -0.520 516 HB2 ASP 67 HB2 ASP 67 -10.294 13.171 -2.389 517 HB3 ASP 67 HB3 ASP 67 -11.697 13.239 -1.324 518 H GLU 68 H GLU 68 -9.313 15.713 0.545 519 HA GLU 68 HA GLU 68 -10.014 15.606 3.208 520 HB2 GLU 68 HB2 GLU 68 -9.788 17.896 1.303 521 HB3 GLU 68 HB3 GLU 68 -10.218 18.156 2.980 522 HG2 GLU 68 HG3 GLU 68 -7.855 18.516 2.574 523 HG3 GLU 68 HG2 GLU 68 -8.119 17.181 3.690 524 H SER 69 H SER 69 -12.140 15.957 0.486 525 HA SER 69 HA SER 69 -14.276 17.181 1.941 526 HB2 SER 69 HB3 SER 69 -14.122 17.433 -0.465 527 HB3 SER 69 HB2 SER 69 -14.305 15.694 -0.689 528 HG SER 69 HG SER 69 -16.366 16.167 0.636 529 H LYS 70 H LYS 70 -12.968 14.138 2.045 530 HA LYS 70 HA LYS 70 -13.568 12.081 2.687 531 HB2 LYS 70 HB2 LYS 70 -15.607 13.462 4.407 532 HB3 LYS 70 HB3 LYS 70 -14.688 12.005 4.736 533 HG2 LYS 70 HG2 LYS 70 -13.418 14.699 4.436 534 HG3 LYS 70 HG3 LYS 70 -13.946 14.042 5.977 535 HD2 LYS 70 HD2 LYS 70 -12.438 12.146 5.703 536 HD3 LYS 70 HD3 LYS 70 -11.936 12.768 4.129 537 HE2 LYS 70 HE2 LYS 70 -11.049 14.775 5.197 538 HE3 LYS 70 HE3 LYS 70 -11.582 14.185 6.769 539 HZ1 LYS 70 HZ1 LYS 70 -10.070 12.297 6.504 540 HZ2 LYS 70 HZ2 LYS 70 -9.244 13.770 6.466 541 HZ3 LYS 70 HZ3 LYS 70 -9.530 12.927 5.031 542 H LYS 71 H LYS 71 -16.848 13.209 3.257 543 HA LYS 71 HA LYS 71 -17.868 11.100 1.660 544 HB2 LYS 71 HB2 LYS 71 -20.055 11.797 2.442 545 HB3 LYS 71 HB3 LYS 71 -18.926 11.626 3.770 546 HG2 LYS 71 HG2 LYS 71 -18.574 14.080 3.694 547 HG3 LYS 71 HG3 LYS 71 -19.874 14.142 2.509 548 HD2 LYS 71 HD2 LYS 71 -20.168 12.906 5.217 549 HD3 LYS 71 HD3 LYS 71 -20.565 14.594 4.899 550 HE2 LYS 71 HE2 LYS 71 -21.804 12.178 3.599 551 HE3 LYS 71 HE3 LYS 71 -22.543 13.157 4.858 552 HZ1 LYS 71 HZ1 LYS 71 -23.418 13.814 2.750 553 HZ2 LYS 71 HZ2 LYS 71 -21.874 14.023 2.102 554 HZ3 LYS 71 HZ3 LYS 71 -22.425 15.064 3.313 555 H ARG 72 H ARG 72 -18.673 11.202 -0.349 556 HA ARG 72 HA ARG 72 -18.709 13.857 -1.613 557 HB2 ARG 72 HB2 ARG 72 -17.384 13.161 -3.333 558 HB3 ARG 72 HB3 ARG 72 -16.785 12.071 -2.094 559 HG2 ARG 72 HG2 ARG 72 -18.207 10.308 -2.931 560 HG3 ARG 72 HG3 ARG 72 -18.862 11.393 -4.156 561 HD2 ARG 72 HD2 ARG 72 -16.028 10.403 -3.899 562 HD3 ARG 72 HD3 ARG 72 -17.173 10.048 -5.190 563 HE ARG 72 HE ARG 72 -17.002 12.407 -5.839 564 HH11 ARG 72 HH11 ARG 72 -14.472 11.074 -3.812 565 HH12 ARG 72 HH12 ARG 72 -13.296 12.249 -4.279 566 HH21 ARG 72 HH21 ARG 72 -15.454 13.954 -6.463 567 HH22 ARG 72 HH22 ARG 72 -13.860 13.905 -5.785 568 H LYS 73 H LYS 73 -19.893 13.694 -3.828 569 HA LYS 73 HA LYS 73 -22.335 12.130 -3.411 570 HB2 LYS 73 HB2 LYS 73 -22.169 14.889 -4.596 571 HB3 LYS 73 HB3 LYS 73 -23.625 13.963 -4.340 572 HG2 LYS 73 HG2 LYS 73 -23.817 15.036 -2.412 573 HG3 LYS 73 HG3 LYS 73 -22.471 14.037 -1.842 574 HD2 LYS 73 HD2 LYS 73 -21.154 15.863 -3.240 575 HD3 LYS 73 HD3 LYS 73 -22.511 16.848 -2.708 576 HE2 LYS 73 HE2 LYS 73 -22.062 16.180 -0.379 577 HE3 LYS 73 HE3 LYS 73 -20.669 15.253 -0.930 578 HZ1 LYS 73 HZ1 LYS 73 -20.996 18.186 -1.241 579 HZ2 LYS 73 HZ2 LYS 73 -19.643 17.283 -1.700 580 HZ3 LYS 73 HZ3 LYS 73 -20.044 17.433 -0.064 581 H ASP 74 H ASP 74 -23.622 11.858 -5.463 582 HA ASP 74 HA ASP 74 -21.757 11.081 -7.576 583 HB2 ASP 74 HB2 ASP 74 -23.467 9.488 -6.463 584 HB3 ASP 74 HB3 ASP 74 -24.646 10.316 -7.457 585 H ASN 75 H ASN 75 -23.901 10.959 -9.597 586 HA ASN 75 HA ASN 75 -23.313 13.457 -10.764 587 HB2 ASN 75 HB2 ASN 75 -23.662 11.417 -12.057 588 HB3 ASN 75 HB3 ASN 75 -25.353 11.386 -11.575 589 HD21 ASN 75 HD21 ASN 75 -22.951 12.985 -13.503 590 HD22 ASN 75 HD22 ASN 75 -24.052 13.845 -14.518 591 H GLU 76 H GLU 76 -25.925 12.394 -8.772 592 HA GLU 76 HA GLU 76 -27.569 14.691 -9.530 593 HB2 GLU 76 HB2 GLU 76 -28.718 12.584 -9.599 594 HB3 GLU 76 HB3 GLU 76 -28.184 12.167 -7.997 595 HG2 GLU 76 HG3 GLU 76 -29.439 14.080 -7.144 596 HG3 GLU 76 HG2 GLU 76 -30.108 14.326 -8.752 597 H GLY 77 H GLY 77 -25.079 14.153 -7.657 598 HA2 GLY 77 HA3 GLY 77 -24.214 15.261 -5.805 599 HA3 GLY 77 HA2 GLY 77 -25.664 16.269 -5.824 600 H ASN 78 H ASN 78 -25.805 12.809 -5.717 601 HA ASN 78 HA ASN 78 -27.289 12.989 -3.261 602 HB2 ASN 78 HB2 ASN 78 -27.711 10.536 -3.673 603 HB3 ASN 78 HB3 ASN 78 -28.267 11.639 -4.931 604 HD21 ASN 78 HD21 ASN 78 -26.993 11.874 -6.790 605 HD22 ASN 78 HD22 ASN 78 -26.172 10.512 -7.414 606 H GLU 79 H GLU 79 -25.102 10.253 -3.931 607 HA GLU 79 HA GLU 79 -23.169 11.113 -2.023 608 HB2 GLU 79 HB2 GLU 79 -23.612 9.266 -0.372 609 HB3 GLU 79 HB3 GLU 79 -24.761 10.595 -0.361 610 HG2 GLU 79 HG3 GLU 79 -26.378 9.321 -1.501 611 HG3 GLU 79 HG2 GLU 79 -25.234 8.019 -1.817 612 H VAL 80 H VAL 80 -21.299 10.250 -2.595 613 HA VAL 80 HA VAL 80 -21.257 7.359 -3.235 614 HB VAL 80 HB VAL 80 -19.094 9.200 -4.193 615 HG11 VAL 80 HG21 VAL 80 -18.695 7.410 -5.818 616 HG12 VAL 80 HG22 VAL 80 -20.035 6.498 -5.125 617 HG13 VAL 80 HG23 VAL 80 -18.603 6.837 -4.154 618 HG21 VAL 80 HG13 VAL 80 -21.141 10.078 -5.192 619 HG22 VAL 80 HG11 VAL 80 -21.557 8.467 -5.774 620 HG23 VAL 80 HG12 VAL 80 -20.135 9.293 -6.410 621 H VAL 81 H VAL 81 -19.551 6.225 -2.232 622 HA VAL 81 HA VAL 81 -18.044 7.826 -0.297 623 HB VAL 81 HB VAL 81 -19.425 6.276 0.912 624 HG11 VAL 81 HG21 VAL 81 -19.265 3.844 0.623 625 HG12 VAL 81 HG22 VAL 81 -18.209 4.087 -0.766 626 HG13 VAL 81 HG23 VAL 81 -19.880 4.646 -0.821 627 HG21 VAL 81 HG13 VAL 81 -17.739 5.008 2.152 628 HG22 VAL 81 HG11 VAL 81 -17.189 6.645 1.795 629 HG23 VAL 81 HG12 VAL 81 -16.578 5.286 0.855 630 HA PRO 82 HA PRO 82 -14.851 6.680 -3.234 631 HB2 PRO 82 HB3 PRO 82 -13.212 8.690 -2.588 632 HB3 PRO 82 HB2 PRO 82 -14.607 8.917 -3.637 633 HG2 PRO 82 HG3 PRO 82 -14.310 9.505 -0.734 634 HG3 PRO 82 HG2 PRO 82 -15.072 10.485 -1.985 635 HD2 PRO 82 HD2 PRO 82 -16.450 8.959 -0.255 636 HD3 PRO 82 HD3 PRO 82 -16.996 9.285 -1.901 637 H LYS 83 H LYS 83 -13.195 5.347 -2.954 638 HA LYS 83 HA LYS 83 -12.255 4.841 -0.252 639 HB2 LYS 83 HB2 LYS 83 -11.783 3.419 -2.877 640 HB3 LYS 83 HB3 LYS 83 -10.955 2.975 -1.392 641 HG2 LYS 83 HG2 LYS 83 -12.772 1.485 -1.640 642 HG3 LYS 83 HG3 LYS 83 -13.215 2.613 -0.358 643 HD2 LYS 83 HD2 LYS 83 -14.467 3.934 -2.080 644 HD3 LYS 83 HD3 LYS 83 -14.155 2.627 -3.223 645 HE2 LYS 83 HE2 LYS 83 -15.337 1.066 -1.767 646 HE3 LYS 83 HE3 LYS 83 -15.627 2.360 -0.605 647 HZ1 LYS 83 HZ1 LYS 83 -17.562 2.030 -1.970 648 HZ2 LYS 83 HZ2 LYS 83 -16.662 2.231 -3.384 649 HZ3 LYS 83 HZ3 LYS 83 -16.882 3.538 -2.334 650 HA PRO 84 HA PRO 84 -8.736 7.453 -0.561 651 HB2 PRO 84 HB3 PRO 84 -7.295 5.386 0.978 652 HB3 PRO 84 HB2 PRO 84 -7.581 7.086 1.356 653 HG2 PRO 84 HG3 PRO 84 -8.869 5.073 2.615 654 HG3 PRO 84 HG2 PRO 84 -9.598 6.666 2.348 655 HD2 PRO 84 HD2 PRO 84 -10.121 4.084 0.975 656 HD3 PRO 84 HD3 PRO 84 -11.210 5.453 1.264 657 H GLN 85 H GLN 85 -7.208 7.679 -2.027 658 HA GLN 85 HA GLN 85 -6.661 5.773 -3.983 659 HB2 GLN 85 HB2 GLN 85 -4.775 7.354 -4.606 660 HB3 GLN 85 HB3 GLN 85 -6.380 8.058 -4.540 661 HG2 GLN 85 HG2 GLN 85 -5.642 9.576 -3.140 662 HG3 GLN 85 HG3 GLN 85 -5.260 8.314 -1.976 663 HE21 GLN 85 HE21 GLN 85 -3.235 7.145 -3.784 664 HE22 GLN 85 HE22 GLN 85 -1.871 8.203 -3.689 665 H ARG 86 H ARG 86 -5.519 3.980 -3.899 666 HA ARG 86 HA ARG 86 -3.293 3.889 -2.009 667 HB2 ARG 86 HB2 ARG 86 -4.038 1.505 -1.478 668 HB3 ARG 86 HB3 ARG 86 -4.988 2.824 -0.814 669 HG2 ARG 86 HG2 ARG 86 -6.493 2.535 -2.832 670 HG3 ARG 86 HG3 ARG 86 -5.699 0.982 -3.053 671 HD2 ARG 86 HD2 ARG 86 -6.343 0.349 -0.826 672 HD3 ARG 86 HD3 ARG 86 -7.074 1.918 -0.547 673 HE ARG 86 HE ARG 86 -8.114 0.327 -2.756 674 HH11 ARG 86 HH11 ARG 86 -8.471 1.442 0.545 675 HH12 ARG 86 HH12 ARG 86 -10.156 1.050 0.631 676 HH21 ARG 86 HH21 ARG 86 -10.342 -0.212 -2.633 677 HH22 ARG 86 HH22 ARG 86 -11.218 0.117 -1.172 678 H HIS 87 H HIS 87 -1.632 2.524 -2.451 679 HA HIS 87 HA HIS 87 -1.346 1.888 -5.309 680 HB2 HIS 87 HB3 HIS 87 0.749 2.501 -3.218 681 HB3 HIS 87 HB2 HIS 87 1.061 2.245 -4.922 682 HD1 HIS 87 HD1 HIS 87 -0.475 4.097 -6.462 683 HD2 HIS 87 HD2 HIS 87 0.663 5.105 -2.595 684 HE1 HIS 87 HE1 HIS 87 -0.595 6.600 -6.349 685 HE2 HIS 87 HE2 HIS 87 0.330 7.187 -4.087 686 H MET 88 H MET 88 -1.343 -0.250 -5.770 687 HA MET 88 HA MET 88 -0.592 -2.091 -3.603 688 HB2 MET 88 HB3 MET 88 -2.859 -2.419 -4.487 689 HB3 MET 88 HB2 MET 88 -2.192 -2.672 -6.097 690 HG2 MET 88 HG3 MET 88 -0.957 -4.624 -5.253 691 HG3 MET 88 HG2 MET 88 -1.695 -4.385 -3.675 692 HE1 MET 88 HE1 MET 88 -5.421 -5.158 -4.287 693 HE2 MET 88 HE2 MET 88 -4.803 -3.557 -4.694 694 HE3 MET 88 HE3 MET 88 -4.212 -4.388 -3.254 695 H PHE 89 H PHE 89 1.200 -3.232 -3.736 696 HA PHE 89 HA PHE 89 2.414 -3.656 -6.384 697 HB2 PHE 89 HB3 PHE 89 4.150 -3.830 -4.000 698 HB3 PHE 89 HB2 PHE 89 4.471 -3.106 -5.573 699 HD1 PHE 89 HD2 PHE 89 3.586 -0.836 -6.069 700 HD2 PHE 89 HD1 PHE 89 3.475 -2.518 -2.170 701 HE1 PHE 89 HE2 PHE 89 3.283 1.408 -5.120 702 HE2 PHE 89 HE1 PHE 89 3.176 -0.280 -1.211 703 HZ PHE 89 HZ PHE 89 3.002 1.669 -2.660 704 H SER 90 H SER 90 2.475 -5.727 -6.938 705 HA SER 90 HA SER 90 1.926 -7.725 -4.907 706 HB2 SER 90 HB3 SER 90 1.999 -7.925 -7.926 707 HB3 SER 90 HB2 SER 90 1.565 -9.243 -6.846 708 HG SER 90 HG SER 90 -0.374 -8.454 -6.821 709 H PHE 91 H PHE 91 3.402 -9.067 -4.137 710 HA PHE 91 HA PHE 91 6.035 -9.122 -5.455 711 HB2 PHE 91 HB3 PHE 91 5.194 -9.563 -2.598 712 HB3 PHE 91 HB2 PHE 91 6.728 -10.186 -3.193 713 HD1 PHE 91 HD2 PHE 91 8.263 -8.482 -4.393 714 HD2 PHE 91 HD1 PHE 91 5.106 -7.416 -1.762 715 HE1 PHE 91 HE2 PHE 91 9.321 -6.294 -4.020 716 HE2 PHE 91 HE1 PHE 91 6.162 -5.225 -1.383 717 HZ PHE 91 HZ PHE 91 8.268 -4.661 -2.514 718 H ASN 92 H ASN 92 7.233 -11.217 -5.114 719 HA ASN 92 HA ASN 92 5.420 -13.459 -5.718 720 HB2 ASN 92 HB2 ASN 92 8.250 -12.899 -6.627 721 HB3 ASN 92 HB3 ASN 92 7.455 -14.448 -6.866 722 HD21 ASN 92 HD21 ASN 92 7.678 -14.227 -9.106 723 HD22 ASN 92 HD22 ASN 92 6.663 -13.165 -10.022 724 H ASN 93 H ASN 93 7.349 -12.195 -3.355 725 HA ASN 93 HA ASN 93 7.896 -14.850 -2.229 726 HB2 ASN 93 HB2 ASN 93 9.971 -13.907 -3.128 727 HB3 ASN 93 HB3 ASN 93 9.737 -12.458 -2.168 728 HD21 ASN 93 HD21 ASN 93 10.392 -15.899 -2.011 729 HD22 ASN 93 HD22 ASN 93 11.115 -15.872 -0.441 730 H ARG 94 H ARG 94 7.185 -15.146 -0.285 731 HA ARG 94 HA ARG 94 5.565 -13.357 1.112 732 HB2 ARG 94 HB2 ARG 94 5.238 -15.656 1.483 733 HB3 ARG 94 HB3 ARG 94 6.925 -15.928 1.837 734 HG2 ARG 94 HG2 ARG 94 5.779 -16.130 3.868 735 HG3 ARG 94 HG3 ARG 94 6.605 -14.571 3.917 736 HD2 ARG 94 HD2 ARG 94 4.550 -13.457 3.282 737 HD3 ARG 94 HD3 ARG 94 3.719 -15.007 3.203 738 HE ARG 94 HE ARG 94 4.632 -13.647 5.635 739 HH11 ARG 94 HH11 ARG 94 2.881 -16.267 4.113 740 HH12 ARG 94 HH12 ARG 94 2.265 -16.894 5.607 741 HH21 ARG 94 HH21 ARG 94 3.810 -14.450 7.606 742 HH22 ARG 94 HH22 ARG 94 2.786 -15.851 7.601 743 H THR 95 H THR 95 8.995 -14.041 1.408 744 HA THR 95 HA THR 95 9.291 -12.770 3.946 745 HB THR 95 HB THR 95 11.389 -13.467 1.886 746 HG1 THR 95 HG1 THR 95 9.973 -14.953 3.745 747 HG21 THR 95 HG21 THR 95 12.144 -11.794 3.480 748 HG22 THR 95 HG22 THR 95 12.955 -13.338 3.758 749 HG23 THR 95 HG23 THR 95 11.642 -12.824 4.821 750 H VAL 96 H VAL 96 10.410 -11.877 0.692 751 HA VAL 96 HA VAL 96 11.276 -9.331 1.005 752 HB VAL 96 HB VAL 96 9.423 -10.275 -1.211 753 HG11 VAL 96 HG21 VAL 96 9.575 -7.848 -1.153 754 HG12 VAL 96 HG22 VAL 96 10.474 -8.475 -2.537 755 HG13 VAL 96 HG23 VAL 96 11.338 -7.933 -1.099 756 HG21 VAL 96 HG13 VAL 96 12.447 -10.256 -1.019 757 HG22 VAL 96 HG11 VAL 96 11.512 -10.705 -2.447 758 HG23 VAL 96 HG12 VAL 96 11.408 -11.681 -0.982 759 H MET 97 H MET 97 7.862 -10.156 0.310 760 HA MET 97 HA MET 97 6.993 -7.502 0.611 761 HB2 MET 97 HB3 MET 97 4.769 -8.359 0.483 762 HB3 MET 97 HB2 MET 97 5.798 -9.285 -0.606 763 HG2 MET 97 HG3 MET 97 5.034 -11.117 0.303 764 HG3 MET 97 HG2 MET 97 5.805 -10.675 1.825 765 HE1 MET 97 HE1 MET 97 4.515 -10.071 3.928 766 HE2 MET 97 HE2 MET 97 2.927 -9.305 3.933 767 HE3 MET 97 HE3 MET 97 4.301 -8.490 3.180 768 H ASP 98 H ASP 98 7.503 -10.047 2.974 769 HA ASP 98 HA ASP 98 6.038 -8.791 5.091 770 HB2 ASP 98 HB2 ASP 98 6.667 -11.178 5.178 771 HB3 ASP 98 HB3 ASP 98 8.370 -10.725 5.233 772 H ASN 99 H ASN 99 9.199 -8.535 3.750 773 HA ASN 99 HA ASN 99 10.346 -6.986 5.891 774 HB2 ASN 99 HB2 ASN 99 11.232 -7.562 3.045 775 HB3 ASN 99 HB3 ASN 99 12.194 -6.656 4.192 776 HD21 ASN 99 HD21 ASN 99 12.513 -9.274 2.754 777 HD22 ASN 99 HD22 ASN 99 12.946 -10.385 4.007 778 H ILE 100 H ILE 100 9.334 -6.362 2.566 779 HA ILE 100 HA ILE 100 9.740 -3.611 2.453 780 HB ILE 100 HB ILE 100 7.638 -5.343 1.128 781 HG12 ILE 100 HG13 ILE 100 10.011 -5.871 0.628 782 HG13 ILE 100 HG12 ILE 100 9.126 -5.306 -0.785 783 HG21 ILE 100 HG21 ILE 100 8.494 -2.601 0.248 784 HG22 ILE 100 HG22 ILE 100 7.056 -2.892 1.219 785 HG23 ILE 100 HG23 ILE 100 7.185 -3.582 -0.400 786 HD11 ILE 100 HD11 ILE 100 11.273 -4.287 -0.784 787 HD12 ILE 100 HD12 ILE 100 11.072 -3.751 0.885 788 HD13 ILE 100 HD13 ILE 100 10.076 -3.049 -0.392 789 H LYS 101 H LYS 101 6.846 -5.451 3.381 790 HA LYS 101 HA LYS 101 5.161 -3.312 3.967 791 HB2 LYS 101 HB2 LYS 101 4.067 -5.348 3.878 792 HB3 LYS 101 HB3 LYS 101 5.311 -6.187 4.796 793 HG2 LYS 101 HG2 LYS 101 4.454 -4.649 6.738 794 HG3 LYS 101 HG3 LYS 101 3.000 -4.572 5.752 795 HD2 LYS 101 HD2 LYS 101 2.781 -6.353 7.373 796 HD3 LYS 101 HD3 LYS 101 2.914 -7.043 5.760 797 HE2 LYS 101 HE2 LYS 101 5.255 -7.548 6.147 798 HE3 LYS 101 HE3 LYS 101 5.171 -6.823 7.745 799 HZ1 LYS 101 HZ1 LYS 101 4.989 -9.316 7.651 800 HZ2 LYS 101 HZ2 LYS 101 3.463 -9.112 6.935 801 HZ3 LYS 101 HZ3 LYS 101 3.751 -8.530 8.496 802 H MET 102 H MET 102 7.323 -5.159 6.129 803 HA MET 102 HA MET 102 6.558 -3.733 8.455 804 HB2 MET 102 HB3 MET 102 8.228 -4.976 9.600 805 HB3 MET 102 HB2 MET 102 7.556 -6.047 8.382 806 HG2 MET 102 HG3 MET 102 9.696 -6.518 8.055 807 HG3 MET 102 HG2 MET 102 9.591 -5.130 6.983 808 HE1 MET 102 HE1 MET 102 11.437 -5.044 11.205 809 HE2 MET 102 HE2 MET 102 10.753 -6.474 10.434 810 HE3 MET 102 HE3 MET 102 9.699 -5.159 10.946 811 H THR 103 H THR 103 8.830 -3.151 5.949 812 HA THR 103 HA THR 103 10.442 -1.209 7.218 813 HB THR 103 HB THR 103 9.702 -1.615 4.316 814 HG1 THR 103 HG1 THR 103 10.939 -3.317 4.934 815 HG21 THR 103 HG21 THR 103 11.640 -0.239 3.776 816 HG22 THR 103 HG22 THR 103 11.851 0.125 5.492 817 HG23 THR 103 HG23 THR 103 10.396 0.672 4.648 818 H LEU 104 H LEU 104 7.579 -0.998 5.152 819 HA LEU 104 HA LEU 104 7.509 1.828 5.134 820 HB2 LEU 104 HB2 LEU 104 5.323 -0.152 4.504 821 HB3 LEU 104 HB3 LEU 104 5.291 1.541 4.098 822 HG LEU 104 HG LEU 104 7.484 -0.184 3.047 823 HD11 LEU 104 HD11 LEU 104 4.685 -0.007 2.007 824 HD12 LEU 104 HD12 LEU 104 5.596 -1.457 2.428 825 HD13 LEU 104 HD13 LEU 104 6.055 -0.503 1.019 826 HD21 LEU 104 HD21 LEU 104 6.018 2.172 1.940 827 HD22 LEU 104 HD22 LEU 104 7.435 1.392 1.233 828 HD23 LEU 104 HD23 LEU 104 7.574 2.244 2.769 829 H GLN 105 H GLN 105 5.318 -0.509 6.680 830 HA GLN 105 HA GLN 105 3.739 1.303 8.031 831 HB2 GLN 105 HB2 GLN 105 4.574 -1.434 8.962 832 HB3 GLN 105 HB3 GLN 105 3.305 -0.484 9.715 833 HG2 GLN 105 HG2 GLN 105 2.134 -0.484 7.513 834 HG3 GLN 105 HG3 GLN 105 3.345 -1.631 6.947 835 HE21 GLN 105 HE21 GLN 105 3.471 -3.655 7.947 836 HE22 GLN 105 HE22 GLN 105 2.119 -4.325 8.774 837 H GLN 106 H GLN 106 6.987 0.278 8.833 838 HA GLN 106 HA GLN 106 7.046 1.051 11.539 839 HB2 GLN 106 HB2 GLN 106 8.979 0.485 9.417 840 HB3 GLN 106 HB3 GLN 106 9.559 1.557 10.665 841 HG2 GLN 106 HG2 GLN 106 8.936 -0.153 12.348 842 HG3 GLN 106 HG3 GLN 106 8.499 -1.229 11.017 843 HE21 GLN 106 HE21 GLN 106 10.096 -2.091 9.721 844 HE22 GLN 106 HE22 GLN 106 11.766 -2.080 10.178 845 H ILE 107 H ILE 107 7.175 2.692 8.564 846 HA ILE 107 HA ILE 107 7.973 5.273 9.601 847 HB ILE 107 HB ILE 107 6.843 4.480 6.903 848 HG12 ILE 107 HG13 ILE 107 9.766 4.887 7.438 849 HG13 ILE 107 HG12 ILE 107 9.020 3.316 7.686 850 HG21 ILE 107 HG21 ILE 107 7.925 6.522 6.101 851 HG22 ILE 107 HG22 ILE 107 8.370 6.919 7.759 852 HG23 ILE 107 HG23 ILE 107 6.668 6.825 7.295 853 HD11 ILE 107 HD11 ILE 107 8.203 3.552 5.276 854 HD12 ILE 107 HD12 ILE 107 9.910 3.213 5.543 855 HD13 ILE 107 HD13 ILE 107 9.387 4.852 5.146 856 H ILE 108 H ILE 108 5.093 3.684 8.326 857 HA ILE 108 HA ILE 108 3.480 6.016 8.211 858 HB ILE 108 HB ILE 108 2.430 3.204 8.449 859 HG12 ILE 108 HG13 ILE 108 4.009 4.503 6.272 860 HG13 ILE 108 HG12 ILE 108 4.139 2.877 6.906 861 HG21 ILE 108 HG21 ILE 108 1.507 5.609 6.874 862 HG22 ILE 108 HG22 ILE 108 0.771 4.983 8.346 863 HG23 ILE 108 HG23 ILE 108 0.737 4.019 6.873 864 HD11 ILE 108 HD11 ILE 108 3.275 2.876 4.663 865 HD12 ILE 108 HD12 ILE 108 1.939 3.914 5.157 866 HD13 ILE 108 HD13 ILE 108 2.065 2.273 5.796 867 H SER 109 H SER 109 3.399 3.274 10.461 868 HA SER 109 HA SER 109 1.575 4.400 12.285 869 HB2 SER 109 HB3 SER 109 3.713 2.352 12.905 870 HB3 SER 109 HB2 SER 109 2.152 2.557 13.704 871 HG SER 109 HG SER 109 1.616 1.023 12.315 872 H ARG 110 H ARG 110 4.817 5.002 11.603 873 HA ARG 110 HA ARG 110 5.585 6.174 14.094 874 HB2 ARG 110 HB2 ARG 110 7.467 5.541 12.923 875 HB3 ARG 110 HB3 ARG 110 6.699 5.815 11.391 876 HG2 ARG 110 HG2 ARG 110 7.018 8.144 11.562 877 HG3 ARG 110 HG3 ARG 110 7.773 7.968 13.156 878 HD2 ARG 110 HD2 ARG 110 9.484 6.536 12.146 879 HD3 ARG 110 HD3 ARG 110 8.740 6.760 10.573 880 HE ARG 110 HE ARG 110 9.523 9.215 11.859 881 HH11 ARG 110 HH11 ARG 110 10.514 6.558 9.842 882 HH12 ARG 110 HH12 ARG 110 11.743 7.455 9.000 883 HH21 ARG 110 HH21 ARG 110 11.160 10.427 10.784 884 HH22 ARG 110 HH22 ARG 110 12.109 9.665 9.547 885 H TYR 111 H TYR 111 4.401 7.289 10.960 886 HA TYR 111 HA TYR 111 4.535 10.052 11.649 887 HB2 TYR 111 HB3 TYR 111 3.560 8.481 9.327 888 HB3 TYR 111 HB2 TYR 111 2.916 10.104 9.527 889 HD1 TYR 111 HD2 TYR 111 4.472 12.058 9.503 890 HD2 TYR 111 HD1 TYR 111 5.789 8.120 8.620 891 HE1 TYR 111 HE2 TYR 111 6.516 12.978 8.487 892 HE2 TYR 111 HE1 TYR 111 7.838 9.021 7.604 893 HH TYR 111 HH TYR 111 8.813 12.245 7.992 894 H LYS 112 H LYS 112 2.040 7.581 11.744 895 HA LYS 112 HA LYS 112 -0.069 9.419 12.380 896 HB2 LYS 112 HB2 LYS 112 0.036 6.422 12.862 897 HB3 LYS 112 HB3 LYS 112 -1.398 7.441 12.883 898 HG2 LYS 112 HG2 LYS 112 -1.561 7.460 10.655 899 HG3 LYS 112 HG3 LYS 112 0.190 7.560 10.426 900 HD2 LYS 112 HD2 LYS 112 -0.372 5.444 9.612 901 HD3 LYS 112 HD3 LYS 112 0.257 5.138 11.218 902 HE2 LYS 112 HE2 LYS 112 -2.640 5.210 10.388 903 HE3 LYS 112 HE3 LYS 112 -1.683 3.811 10.840 904 HZ1 LYS 112 HZ1 LYS 112 -2.458 6.020 12.651 905 HZ2 LYS 112 HZ2 LYS 112 -1.494 4.697 13.082 906 HZ3 LYS 112 HZ3 LYS 112 -3.109 4.460 12.641 907 H ASP 113 H ASP 113 2.452 7.923 14.108 908 HA ASP 113 HA ASP 113 1.328 8.296 16.728 909 HB2 ASP 113 HB2 ASP 113 2.987 6.564 16.419 910 HB3 ASP 113 HB3 ASP 113 4.137 7.721 15.762 911 H ALA 114 H ALA 114 2.863 10.203 14.378 912 HA ALA 114 HA ALA 114 3.383 12.332 16.345 913 HB1 ALA 114 HB1 ALA 114 5.023 13.234 14.783 914 HB2 ALA 114 HB2 ALA 114 4.672 11.930 13.648 915 HB3 ALA 114 HB3 ALA 114 5.410 11.567 15.208 916 H ASP 115 H ASP 115 0.913 11.531 14.766 917 HA ASP 115 HA ASP 115 0.442 14.159 13.534 918 HB2 ASP 115 HB2 ASP 115 0.588 12.460 11.781 919 HB3 ASP 115 HB3 ASP 115 -0.621 11.484 12.603 920 H1 GLY 242 H1 GLY 242 1.376 -19.589 -22.616 921 H2 GLY 242 H2 GLY 242 1.735 -20.841 -23.688 922 H3 GLY 242 H3 GLY 242 0.348 -20.927 -22.726 923 HA2 GLY 242 HA2 GLY 242 -0.275 -20.344 -24.956 924 HA3 GLY 242 HA3 GLY 242 -0.574 -18.997 -23.866 925 H GLY 243 H GLY 243 -0.530 -17.911 -26.057 926 HA2 GLY 243 HA3 GLY 243 2.081 -16.682 -26.369 927 HA3 GLY 243 HA2 GLY 243 1.488 -17.556 -27.774 928 H GLY 244 H GLY 244 0.171 -15.270 -25.381 929 HA2 GLY 244 HA3 GLY 244 -0.254 -13.104 -26.995 930 HA3 GLY 244 HA2 GLY 244 -1.639 -14.143 -27.301 931 H GLY 245 H GLY 245 -3.256 -13.050 -26.321 932 HA2 GLY 245 HA3 GLY 245 -4.598 -12.791 -24.413 933 HA3 GLY 245 HA2 GLY 245 -3.171 -12.990 -23.408 934 H TYR 246 H TYR 246 -2.783 -11.240 -22.273 935 HA TYR 246 HA TYR 246 -2.568 -9.088 -21.619 936 HB2 TYR 246 HB3 TYR 246 -2.103 -8.619 -24.572 937 HB3 TYR 246 HB2 TYR 246 -1.757 -7.454 -23.297 938 HD1 TYR 246 HD2 TYR 246 -0.091 -8.205 -21.462 939 HD2 TYR 246 HD1 TYR 246 -0.471 -10.146 -25.228 940 HE1 TYR 246 HE2 TYR 246 2.148 -9.179 -21.179 941 HE2 TYR 246 HE1 TYR 246 1.768 -11.122 -24.956 942 HH TYR 246 HH TYR 246 3.414 -11.157 -22.019 943 H ASP 247 H ASP 247 -5.119 -9.969 -21.874 944 HA ASP 247 HA ASP 247 -6.739 -7.993 -23.218 945 HB2 ASP 247 HB2 ASP 247 -7.720 -10.125 -23.204 946 HB3 ASP 247 HB3 ASP 247 -7.275 -10.422 -21.530 947 H VAL 248 H VAL 248 -7.467 -6.148 -22.336 948 HA VAL 248 HA VAL 248 -6.430 -5.432 -19.733 949 HB VAL 248 HB VAL 248 -8.130 -3.664 -21.484 950 HG11 VAL 248 HG21 VAL 248 -7.656 -2.830 -19.247 951 HG12 VAL 248 HG22 VAL 248 -6.803 -1.873 -20.459 952 HG13 VAL 248 HG23 VAL 248 -5.927 -3.071 -19.506 953 HG21 VAL 248 HG13 VAL 248 -6.365 -4.627 -22.878 954 HG22 VAL 248 HG11 VAL 248 -5.155 -4.104 -21.708 955 HG23 VAL 248 HG12 VAL 248 -6.101 -2.909 -22.595 956 H GLU 249 H GLU 249 -8.294 -7.389 -19.436 957 HA GLU 249 HA GLU 249 -10.320 -5.948 -17.884 958 HB2 GLU 249 HB2 GLU 249 -11.394 -6.748 -19.952 959 HB3 GLU 249 HB3 GLU 249 -10.846 -8.379 -19.606 960 HG2 GLU 249 HG3 GLU 249 -12.223 -8.416 -17.593 961 HG3 GLU 249 HG2 GLU 249 -12.775 -6.778 -17.943 962 H MET 250 H MET 250 -9.954 -6.446 -15.831 963 HA MET 250 HA MET 250 -9.734 -9.099 -14.855 964 HB2 MET 250 HB3 MET 250 -7.335 -8.866 -14.026 965 HB3 MET 250 HB2 MET 250 -7.539 -9.214 -15.737 966 HG2 MET 250 HG3 MET 250 -7.272 -6.776 -16.186 967 HG3 MET 250 HG2 MET 250 -6.873 -6.565 -14.483 968 HE1 MET 250 HE1 MET 250 -3.534 -6.219 -16.688 969 HE2 MET 250 HE2 MET 250 -4.714 -5.319 -15.735 970 HE3 MET 250 HE3 MET 250 -5.158 -5.951 -17.320 971 H GLU 251 H GLU 251 -11.069 -6.576 -14.373 972 HA GLU 251 HA GLU 251 -10.048 -5.599 -11.862 973 HB2 GLU 251 HB2 GLU 251 -12.592 -4.963 -13.318 974 HB3 GLU 251 HB3 GLU 251 -11.932 -4.069 -11.975 975 HG2 GLU 251 HG3 GLU 251 -11.311 -2.740 -13.726 976 HG3 GLU 251 HG2 GLU 251 -9.885 -3.763 -13.562 977 H SER 252 H SER 252 -10.237 -7.361 -10.528 978 HA SER 252 HA SER 252 -12.991 -8.104 -9.803 979 HB2 SER 252 HB3 SER 252 -11.990 -10.222 -8.910 980 HB3 SER 252 HB2 SER 252 -11.832 -10.042 -10.655 981 HG SER 252 HG SER 252 -9.897 -10.080 -8.680 982 H GLU 253 H GLU 253 -11.226 -5.887 -9.006 983 HA GLU 253 HA GLU 253 -10.105 -6.200 -6.471 984 HB2 GLU 253 HB2 GLU 253 -11.462 -3.690 -7.465 985 HB3 GLU 253 HB3 GLU 253 -10.141 -3.807 -6.313 986 HG2 GLU 253 HG3 GLU 253 -9.969 -4.503 -9.237 987 HG3 GLU 253 HG2 GLU 253 -9.414 -3.000 -8.508 988 H GLU 254 H GLU 254 -13.277 -4.912 -7.386 989 HA GLU 254 HA GLU 254 -14.286 -4.452 -4.838 990 HB2 GLU 254 HB2 GLU 254 -16.002 -5.333 -7.151 991 HB3 GLU 254 HB3 GLU 254 -16.431 -4.255 -5.835 992 HG2 GLU 254 HG3 GLU 254 -16.155 -2.794 -7.567 993 HG3 GLU 254 HG2 GLU 254 -14.557 -2.746 -6.824 994 H GLU 255 H GLU 255 -13.860 -7.446 -6.485 995 HA GLU 255 HA GLU 255 -15.888 -8.886 -5.068 996 HB2 GLU 255 HB2 GLU 255 -13.530 -9.865 -6.674 997 HB3 GLU 255 HB3 GLU 255 -14.834 -10.880 -6.075 998 HG2 GLU 255 HG3 GLU 255 -15.106 -8.622 -8.044 999 HG3 GLU 255 HG2 GLU 255 -15.147 -10.345 -8.420 1000 H SER 256 H SER 256 -12.337 -9.282 -5.036 1001 HA SER 256 HA SER 256 -12.256 -9.199 -2.159 1002 HB2 SER 256 HB3 SER 256 -11.645 -11.816 -3.563 1003 HB3 SER 256 HB2 SER 256 -11.341 -11.479 -1.863 1004 HG SER 256 HG SER 256 -13.879 -10.871 -2.374 1005 H ASP 257 H ASP 257 -10.864 -8.790 -5.145 1006 HA ASP 257 HA ASP 257 -8.125 -9.303 -4.332 1007 HB2 ASP 257 HB2 ASP 257 -9.318 -8.334 -6.930 1008 HB3 ASP 257 HB3 ASP 257 -7.586 -8.495 -6.662 1009 H ASP 258 H ASP 258 -10.248 -6.791 -3.942 1010 HA ASP 258 HA ASP 258 -8.706 -4.518 -4.489 1011 HB2 ASP 258 HB2 ASP 258 -11.095 -4.371 -3.945 1012 HB3 ASP 258 HB3 ASP 258 -10.759 -4.900 -2.300 1013 H ASP 259 H ASP 259 -9.143 -6.181 -1.376 1014 HA ASP 259 HA ASP 259 -6.405 -5.342 -0.771 1015 HB2 ASP 259 HB2 ASP 259 -6.965 -5.474 1.662 1016 HB3 ASP 259 HB3 ASP 259 -7.778 -4.185 0.797 1017 H GLY 260 H GLY 260 -8.275 -7.707 1.104 1018 HA2 GLY 260 HA3 GLY 260 -7.837 -9.956 1.446 1019 HA3 GLY 260 HA2 GLY 260 -6.931 -9.951 -0.067 1020 H PHE 261 H PHE 261 -6.087 -7.576 2.209 1021 HA PHE 261 HA PHE 261 -3.642 -9.032 2.895 1022 HB2 PHE 261 HB3 PHE 261 -3.962 -6.043 2.608 1023 HB3 PHE 261 HB2 PHE 261 -2.460 -6.926 2.839 1024 HD1 PHE 261 HD2 PHE 261 -2.941 -9.122 0.844 1025 HD2 PHE 261 HD1 PHE 261 -3.527 -4.922 0.620 1026 HE1 PHE 261 HE2 PHE 261 -2.652 -9.213 -1.589 1027 HE2 PHE 261 HE1 PHE 261 -3.240 -5.012 -1.817 1028 HZ PHE 261 HZ PHE 261 -2.801 -7.160 -2.929 1029 H VAL 262 H VAL 262 -2.612 -8.137 4.907 1030 HA VAL 262 HA VAL 262 -4.589 -7.014 6.777 1031 HB VAL 262 HB VAL 262 -4.008 -9.442 7.247 1032 HG11 VAL 262 HG21 VAL 262 -1.663 -9.391 6.625 1033 HG12 VAL 262 HG22 VAL 262 -1.848 -9.910 8.300 1034 HG13 VAL 262 HG23 VAL 262 -1.321 -8.266 7.940 1035 HG21 VAL 262 HG13 VAL 262 -3.306 -7.417 9.368 1036 HG22 VAL 262 HG11 VAL 262 -3.723 -9.105 9.661 1037 HG23 VAL 262 HG12 VAL 262 -4.921 -8.004 8.980 1038 H GLU 263 H GLU 263 -3.621 -5.612 8.398 1039 HA GLU 263 HA GLU 263 -1.031 -4.552 7.519 1040 HB2 GLU 263 HB2 GLU 263 -1.706 -2.416 8.589 1041 HB3 GLU 263 HB3 GLU 263 -2.720 -2.873 7.236 1042 HG2 GLU 263 HG3 GLU 263 -3.425 -3.151 10.153 1043 HG3 GLU 263 HG2 GLU 263 -4.007 -1.904 9.047 1044 H VAL 264 H VAL 264 0.612 -4.787 8.831 1045 HA VAL 264 HA VAL 264 0.066 -5.997 11.444 1046 HB VAL 264 HB VAL 264 2.629 -6.115 9.806 1047 HG11 VAL 264 HG21 VAL 264 3.251 -7.897 11.382 1048 HG12 VAL 264 HG22 VAL 264 1.771 -7.608 12.297 1049 HG13 VAL 264 HG23 VAL 264 3.012 -6.357 12.209 1050 HG21 VAL 264 HG13 VAL 264 0.452 -8.181 10.195 1051 HG22 VAL 264 HG11 VAL 264 1.974 -8.432 9.340 1052 HG23 VAL 264 HG12 VAL 264 0.785 -7.292 8.708 1053 H ASP 265 H ASP 265 -0.006 -4.420 12.927 1054 HA ASP 265 HA ASP 265 2.082 -2.366 12.941 1055 HB2 ASP 265 HB2 ASP 265 -0.543 -2.600 14.410 1056 HB3 ASP 265 HB3 ASP 265 0.649 -1.384 14.810 Start of MODEL 14 1 H2 PRO 1 H2 PRO 1 19.534 -6.262 2.637 2 H3 PRO 1 H3 PRO 1 18.140 -7.003 3.048 3 HA PRO 1 HA PRO 1 18.331 -4.646 2.038 4 HB2 PRO 1 HB3 PRO 1 17.104 -5.669 -0.329 5 HB3 PRO 1 HB2 PRO 1 18.572 -4.689 -0.194 6 HG2 PRO 1 HG3 PRO 1 18.528 -7.334 -0.978 7 HG3 PRO 1 HG2 PRO 1 19.938 -6.504 -0.296 8 HD2 PRO 1 HD2 PRO 1 17.956 -8.305 1.064 9 HD3 PRO 1 HD3 PRO 1 19.718 -8.244 1.238 10 H SER 2 H SER 2 16.750 -4.482 3.614 11 HA SER 2 HA SER 2 14.274 -5.961 3.294 12 HB2 SER 2 HB3 SER 2 13.676 -4.752 5.447 13 HB3 SER 2 HB2 SER 2 15.054 -5.839 5.536 14 HG SER 2 HG SER 2 14.986 -3.279 6.147 15 H HIS 3 H HIS 3 15.465 -2.651 2.996 16 HA HIS 3 HA HIS 3 12.748 -1.684 2.592 17 HB2 HIS 3 HB3 HIS 3 13.625 0.551 2.738 18 HB3 HIS 3 HB2 HIS 3 14.278 -0.397 4.059 19 HD1 HIS 3 HD1 HIS 3 16.797 -0.502 4.265 20 HD2 HIS 3 HD2 HIS 3 15.519 1.246 0.719 21 HE1 HIS 3 HE1 HIS 3 18.851 0.518 3.234 22 HE2 HIS 3 HE2 HIS 3 18.012 1.730 1.189 23 H SER 4 H SER 4 13.922 -3.429 0.662 24 HA SER 4 HA SER 4 13.169 -1.982 -1.687 25 HB2 SER 4 HB3 SER 4 15.245 -2.332 -2.961 26 HB3 SER 4 HB2 SER 4 15.506 -1.269 -1.577 27 HG SER 4 HG SER 4 16.702 -2.750 -0.613 28 H GLY 5 H GLY 5 12.721 -3.393 -3.436 29 HA2 GLY 5 HA3 GLY 5 13.368 -6.107 -3.593 30 HA3 GLY 5 HA2 GLY 5 11.868 -5.980 -2.679 31 H ALA 6 H ALA 6 12.509 -7.042 -5.438 32 HA ALA 6 HA ALA 6 11.374 -5.198 -7.291 33 HB1 ALA 6 HB1 ALA 6 12.990 -6.912 -7.963 34 HB2 ALA 6 HB2 ALA 6 11.503 -6.976 -8.906 35 HB3 ALA 6 HB3 ALA 6 11.787 -8.160 -7.628 36 H ALA 7 H ALA 7 9.228 -4.787 -7.594 37 HA ALA 7 HA ALA 7 7.272 -6.864 -6.836 38 HB1 ALA 7 HB1 ALA 7 6.956 -3.913 -6.305 39 HB2 ALA 7 HB2 ALA 7 7.301 -5.144 -5.091 40 HB3 ALA 7 HB3 ALA 7 5.762 -5.169 -5.959 41 H ILE 8 H ILE 8 5.188 -6.626 -7.812 42 HA ILE 8 HA ILE 8 5.308 -5.504 -10.531 43 HB ILE 8 HB ILE 8 3.496 -7.614 -9.313 44 HG12 ILE 8 HG13 ILE 8 4.484 -9.047 -11.157 45 HG13 ILE 8 HG12 ILE 8 5.664 -7.773 -11.416 46 HG21 ILE 8 HG21 ILE 8 2.468 -7.833 -11.501 47 HG22 ILE 8 HG22 ILE 8 3.463 -6.511 -12.111 48 HG23 ILE 8 HG23 ILE 8 2.259 -6.203 -10.860 49 HD11 ILE 8 HD11 ILE 8 5.294 -9.365 -8.891 50 HD12 ILE 8 HD12 ILE 8 6.471 -8.074 -9.127 51 HD13 ILE 8 HD13 ILE 8 6.588 -9.556 -10.074 52 H PHE 9 H PHE 9 4.395 -3.583 -10.733 53 HA PHE 9 HA PHE 9 2.139 -2.946 -8.969 54 HB2 PHE 9 HB3 PHE 9 4.005 -1.517 -8.462 55 HB3 PHE 9 HB2 PHE 9 4.256 -1.154 -10.162 56 HD1 PHE 9 HD1 PHE 9 1.858 -0.675 -7.367 57 HD2 PHE 9 HD2 PHE 9 3.271 0.711 -11.130 58 HE1 PHE 9 HE1 PHE 9 0.511 1.364 -7.119 59 HE2 PHE 9 HE2 PHE 9 1.915 2.746 -10.892 60 HZ PHE 9 HZ PHE 9 0.532 3.078 -8.884 61 H GLU 10 H GLU 10 0.380 -3.391 -10.127 62 HA GLU 10 HA GLU 10 -1.228 -3.302 -11.719 63 HB2 GLU 10 HB2 GLU 10 0.331 -0.983 -12.861 64 HB3 GLU 10 HB3 GLU 10 -1.343 -1.387 -13.206 65 HG2 GLU 10 HG3 GLU 10 -1.854 -1.010 -10.804 66 HG3 GLU 10 HG2 GLU 10 -0.205 -0.421 -10.599 67 H LYS 11 H LYS 11 0.418 -5.209 -12.078 68 HA LYS 11 HA LYS 11 0.688 -6.858 -13.582 69 HB2 LYS 11 HB2 LYS 11 -0.251 -4.954 -15.706 70 HB3 LYS 11 HB3 LYS 11 -0.212 -6.713 -15.796 71 HG2 LYS 11 HG2 LYS 11 -1.827 -5.144 -13.833 72 HG3 LYS 11 HG3 LYS 11 -2.460 -5.809 -15.326 73 HD2 LYS 11 HD2 LYS 11 -2.259 -7.968 -14.555 74 HD3 LYS 11 HD3 LYS 11 -1.108 -7.528 -13.313 75 HE2 LYS 11 HE2 LYS 11 -2.870 -6.293 -12.162 76 HE3 LYS 11 HE3 LYS 11 -4.022 -6.806 -13.391 77 HZ1 LYS 11 HZ1 LYS 11 -4.194 -8.212 -11.455 78 HZ2 LYS 11 HZ2 LYS 11 -2.549 -8.592 -11.528 79 HZ3 LYS 11 HZ3 LYS 11 -3.591 -9.114 -12.752 80 H VAL 12 H VAL 12 2.402 -3.958 -13.799 81 HA VAL 12 HA VAL 12 4.361 -5.209 -15.584 82 HB VAL 12 HB VAL 12 4.235 -3.018 -16.323 83 HG11 VAL 12 HG21 VAL 12 2.743 -2.161 -14.604 84 HG12 VAL 12 HG22 VAL 12 4.073 -1.036 -14.896 85 HG13 VAL 12 HG23 VAL 12 4.086 -2.074 -13.466 86 HG21 VAL 12 HG13 VAL 12 6.394 -3.056 -14.219 87 HG22 VAL 12 HG11 VAL 12 6.269 -1.838 -15.492 88 HG23 VAL 12 HG12 VAL 12 6.541 -3.527 -15.915 89 H SER 13 H SER 13 6.088 -6.187 -14.830 90 HA SER 13 HA SER 13 6.591 -6.284 -12.011 91 HB2 SER 13 HB3 SER 13 8.513 -7.779 -12.769 92 HB3 SER 13 HB2 SER 13 6.891 -8.328 -13.194 93 HG SER 13 HG SER 13 7.550 -8.313 -15.181 94 H GLY 14 H GLY 14 7.962 -5.089 -10.884 95 HA2 GLY 14 HA3 GLY 14 10.170 -3.755 -12.227 96 HA3 GLY 14 HA2 GLY 14 8.972 -2.736 -11.462 97 H ILE 15 H ILE 15 10.659 -1.930 -10.116 98 HA ILE 15 HA ILE 15 11.396 -3.763 -7.972 99 HB ILE 15 HB ILE 15 13.086 -1.462 -8.808 100 HG12 ILE 15 HG13 ILE 15 12.839 -3.084 -10.675 101 HG13 ILE 15 HG12 ILE 15 14.469 -2.938 -10.079 102 HG21 ILE 15 HG21 ILE 15 13.482 -2.290 -6.559 103 HG22 ILE 15 HG22 ILE 15 14.851 -2.664 -7.606 104 HG23 ILE 15 HG23 ILE 15 13.694 -3.925 -7.188 105 HD11 ILE 15 HD11 ILE 15 12.586 -5.158 -9.413 106 HD12 ILE 15 HD12 ILE 15 14.281 -5.038 -8.940 107 HD13 ILE 15 HD13 ILE 15 13.848 -5.218 -10.643 108 H ILE 16 H ILE 16 11.680 -2.828 -5.900 109 HA ILE 16 HA ILE 16 10.348 -0.233 -5.560 110 HB ILE 16 HB ILE 16 9.440 -2.810 -4.655 111 HG12 ILE 16 HG13 ILE 16 8.306 -0.059 -4.217 112 HG13 ILE 16 HG12 ILE 16 8.166 -0.951 -5.724 113 HG21 ILE 16 HG21 ILE 16 10.657 -2.336 -2.584 114 HG22 ILE 16 HG22 ILE 16 8.915 -2.245 -2.325 115 HG23 ILE 16 HG23 ILE 16 9.865 -0.765 -2.468 116 HD11 ILE 16 HD11 ILE 16 6.964 -2.721 -4.553 117 HD12 ILE 16 HD12 ILE 16 6.157 -1.161 -4.399 118 HD13 ILE 16 HD13 ILE 16 7.096 -1.804 -3.052 119 H ALA 17 H ALA 17 11.398 1.132 -4.288 120 HA ALA 17 HA ALA 17 13.207 0.037 -2.265 121 HB1 ALA 17 HB1 ALA 17 14.823 1.868 -2.804 122 HB2 ALA 17 HB2 ALA 17 13.892 2.157 -4.280 123 HB3 ALA 17 HB3 ALA 17 14.675 0.593 -4.010 124 H ILE 18 H ILE 18 12.333 0.642 -0.428 125 HA ILE 18 HA ILE 18 11.067 3.195 -0.019 126 HB ILE 18 HB ILE 18 11.899 1.191 2.066 127 HG12 ILE 18 HG13 ILE 18 9.241 0.892 1.983 128 HG13 ILE 18 HG12 ILE 18 9.512 1.313 0.296 129 HG21 ILE 18 HG21 ILE 18 9.926 3.464 2.176 130 HG22 ILE 18 HG22 ILE 18 11.568 3.502 2.826 131 HG23 ILE 18 HG23 ILE 18 10.369 2.390 3.505 132 HD11 ILE 18 HD11 ILE 18 10.742 -0.975 1.790 133 HD12 ILE 18 HD12 ILE 18 11.138 -0.517 0.134 134 HD13 ILE 18 HD13 ILE 18 9.511 -1.053 0.534 135 H ASN 19 H ASN 19 12.459 4.886 0.012 136 HA ASN 19 HA ASN 19 15.046 4.503 1.347 137 HB2 ASN 19 HB2 ASN 19 15.563 5.070 -0.858 138 HB3 ASN 19 HB3 ASN 19 14.177 6.141 -1.006 139 HD21 ASN 19 HD21 ASN 19 14.318 8.233 -0.283 140 HD22 ASN 19 HD22 ASN 19 15.823 8.987 0.109 141 H GLU 20 H GLU 20 15.093 5.381 3.375 142 HA GLU 20 HA GLU 20 13.728 7.979 3.541 143 HB2 GLU 20 HB2 GLU 20 15.017 6.365 5.760 144 HB3 GLU 20 HB3 GLU 20 14.053 7.817 5.953 145 HG2 GLU 20 HG3 GLU 20 12.095 6.672 5.179 146 HG3 GLU 20 HG2 GLU 20 13.039 5.225 4.861 147 H ASP 21 H ASP 21 15.529 8.645 2.062 148 HA ASP 21 HA ASP 21 17.499 9.965 3.797 149 HB2 ASP 21 HB2 ASP 21 18.657 8.740 2.047 150 HB3 ASP 21 HB3 ASP 21 17.591 9.405 0.819 151 H VAL 22 H VAL 22 14.647 10.014 2.349 152 HA VAL 22 HA VAL 22 14.836 12.547 0.895 153 HB VAL 22 HB VAL 22 14.307 10.398 -0.248 154 HG11 VAL 22 HG21 VAL 22 11.578 10.355 0.881 155 HG12 VAL 22 HG22 VAL 22 12.896 9.731 1.871 156 HG13 VAL 22 HG23 VAL 22 12.590 9.036 0.280 157 HG21 VAL 22 HG13 VAL 22 12.160 12.495 -0.335 158 HG22 VAL 22 HG11 VAL 22 12.186 11.092 -1.404 159 HG23 VAL 22 HG12 VAL 22 13.513 12.266 -1.444 160 H SER 23 H SER 23 12.582 13.629 0.699 161 HA SER 23 HA SER 23 11.445 14.568 3.029 162 HB2 SER 23 HB3 SER 23 9.371 14.770 1.358 163 HB3 SER 23 HB2 SER 23 10.814 15.748 1.130 164 HG SER 23 HG SER 23 10.300 13.236 -0.130 165 HA PRO 24 HA PRO 24 9.445 11.843 5.398 166 HB2 PRO 24 HB3 PRO 24 6.732 11.612 4.949 167 HB3 PRO 24 HB2 PRO 24 7.468 12.881 5.932 168 HG2 PRO 24 HG3 PRO 24 6.749 12.931 3.011 169 HG3 PRO 24 HG2 PRO 24 6.307 14.108 4.256 170 HD2 PRO 24 HD2 PRO 24 8.334 14.691 2.742 171 HD3 PRO 24 HD3 PRO 24 8.613 14.799 4.495 172 H ALA 25 H ALA 25 9.540 9.631 5.347 173 HA ALA 25 HA ALA 25 10.920 8.672 3.405 174 HB1 ALA 25 HB1 ALA 25 8.923 6.727 4.400 175 HB2 ALA 25 HB2 ALA 25 10.127 7.436 5.477 176 HB3 ALA 25 HB3 ALA 25 10.640 6.518 4.058 177 H GLU 26 H GLU 26 10.956 7.929 1.456 178 HA GLU 26 HA GLU 26 8.453 7.813 0.002 179 HB2 GLU 26 HB2 GLU 26 10.974 9.151 -0.596 180 HB3 GLU 26 HB3 GLU 26 10.473 8.061 -1.879 181 HG2 GLU 26 HG3 GLU 26 9.634 10.137 -2.398 182 HG3 GLU 26 HG2 GLU 26 8.257 9.206 -1.854 183 H LEU 27 H LEU 27 7.987 6.039 -1.079 184 HA LEU 27 HA LEU 27 9.950 3.848 -1.335 185 HB2 LEU 27 HB2 LEU 27 7.766 3.263 -0.449 186 HB3 LEU 27 HB3 LEU 27 6.968 4.112 -1.747 187 HG LEU 27 HG LEU 27 8.600 1.606 -2.193 188 HD11 LEU 27 HD11 LEU 27 6.725 1.288 -0.633 189 HD12 LEU 27 HD12 LEU 27 6.512 0.436 -2.163 190 HD13 LEU 27 HD13 LEU 27 5.639 1.949 -1.864 191 HD21 LEU 27 HD21 LEU 27 7.220 1.436 -4.240 192 HD22 LEU 27 HD22 LEU 27 8.207 2.894 -4.241 193 HD23 LEU 27 HD23 LEU 27 6.486 2.993 -3.866 194 H THR 28 H THR 28 10.561 3.219 -3.390 195 HA THR 28 HA THR 28 9.482 4.838 -5.583 196 HB THR 28 HB THR 28 12.375 3.998 -5.419 197 HG1 THR 28 HG1 THR 28 11.791 5.543 -3.752 198 HG21 THR 28 HG21 THR 28 11.608 4.401 -7.657 199 HG22 THR 28 HG22 THR 28 12.589 5.780 -7.156 200 HG23 THR 28 HG23 THR 28 10.824 5.905 -7.161 201 H TRP 29 H TRP 29 8.301 3.429 -6.681 202 HA TRP 29 HA TRP 29 9.380 0.754 -7.156 203 HB2 TRP 29 HB3 TRP 29 6.982 0.877 -6.642 204 HB3 TRP 29 HB2 TRP 29 6.738 1.965 -8.007 205 HD1 TRP 29 HD1 TRP 29 7.512 -1.731 -7.249 206 HE1 TRP 29 HE1 TRP 29 7.005 -3.121 -9.354 207 HE3 TRP 29 HE3 TRP 29 6.484 2.085 -10.478 208 HZ2 TRP 29 HZ2 TRP 29 6.275 -2.639 -12.040 209 HZ3 TRP 29 HZ3 TRP 29 5.883 1.540 -12.790 210 HH2 TRP 29 HH2 TRP 29 5.784 -0.772 -13.558 211 H ARG 30 H ARG 30 10.853 0.703 -8.598 212 HA ARG 30 HA ARG 30 10.572 2.309 -11.044 213 HB2 ARG 30 HB2 ARG 30 12.447 3.028 -9.715 214 HB3 ARG 30 HB3 ARG 30 13.007 1.367 -9.516 215 HG2 ARG 30 HG2 ARG 30 12.786 2.284 -12.286 216 HG3 ARG 30 HG3 ARG 30 13.993 3.123 -11.316 217 HD2 ARG 30 HD2 ARG 30 15.075 1.098 -10.766 218 HD3 ARG 30 HD3 ARG 30 13.779 0.122 -11.448 219 HE ARG 30 HE ARG 30 14.872 1.779 -13.449 220 HH11 ARG 30 HH11 ARG 30 15.754 -0.965 -11.473 221 HH12 ARG 30 HH12 ARG 30 16.810 -1.654 -12.665 222 HH21 ARG 30 HH21 ARG 30 16.283 0.881 -15.026 223 HH22 ARG 30 HH22 ARG 30 17.124 -0.594 -14.679 224 H SER 31 H SER 31 10.133 1.108 -12.808 225 HA SER 31 HA SER 31 9.775 -1.643 -12.629 226 HB2 SER 31 HB3 SER 31 9.428 -1.582 -15.068 227 HB3 SER 31 HB2 SER 31 8.571 -0.278 -14.252 228 HG SER 31 HG SER 31 10.136 -0.004 -16.266 229 H THR 32 H THR 32 10.848 -3.371 -13.541 230 HA THR 32 HA THR 32 13.605 -3.476 -13.084 231 HB THR 32 HB THR 32 12.095 -5.362 -14.898 232 HG1 THR 32 HG1 THR 32 12.181 -5.295 -12.046 233 HG21 THR 32 HG21 THR 32 13.626 -7.031 -13.976 234 HG22 THR 32 HG22 THR 32 14.375 -5.798 -12.963 235 HG23 THR 32 HG23 THR 32 14.526 -5.708 -14.716 236 H ASP 33 H ASP 33 11.734 -2.720 -15.914 237 HA ASP 33 HA ASP 33 13.904 -2.795 -17.781 238 HB2 ASP 33 HB2 ASP 33 12.140 -1.615 -19.212 239 HB3 ASP 33 HB3 ASP 33 11.783 -3.255 -18.697 240 H GLY 34 H GLY 34 12.424 -0.439 -15.684 241 HA2 GLY 34 HA3 GLY 34 13.400 1.555 -14.982 242 HA3 GLY 34 HA2 GLY 34 14.565 1.418 -16.288 243 H ASP 35 H ASP 35 11.549 0.915 -17.568 244 HA ASP 35 HA ASP 35 11.638 3.452 -18.904 245 HB2 ASP 35 HB2 ASP 35 11.077 1.618 -20.268 246 HB3 ASP 35 HB3 ASP 35 9.862 1.060 -19.134 247 H LYS 36 H LYS 36 9.860 2.128 -16.235 248 HA LYS 36 HA LYS 36 8.492 4.698 -15.989 249 HB2 LYS 36 HB2 LYS 36 6.368 3.708 -15.451 250 HB3 LYS 36 HB3 LYS 36 6.888 3.081 -17.010 251 HG2 LYS 36 HG2 LYS 36 7.790 1.104 -15.725 252 HG3 LYS 36 HG3 LYS 36 6.859 1.695 -14.364 253 HD2 LYS 36 HD2 LYS 36 5.643 1.156 -17.064 254 HD3 LYS 36 HD3 LYS 36 5.710 -0.048 -15.782 255 HE2 LYS 36 HE2 LYS 36 4.337 1.258 -14.357 256 HE3 LYS 36 HE3 LYS 36 4.474 2.660 -15.405 257 HZ1 LYS 36 HZ1 LYS 36 2.335 1.562 -15.650 258 HZ2 LYS 36 HZ2 LYS 36 3.101 0.126 -16.109 259 HZ3 LYS 36 HZ3 LYS 36 3.215 1.494 -17.093 260 H VAL 37 H VAL 37 7.753 5.133 -13.855 261 HA VAL 37 HA VAL 37 8.907 3.596 -11.681 262 HB VAL 37 HB VAL 37 10.741 5.062 -12.575 263 HG11 VAL 37 HG21 VAL 37 10.704 7.444 -12.042 264 HG12 VAL 37 HG22 VAL 37 9.029 7.294 -11.511 265 HG13 VAL 37 HG23 VAL 37 9.449 7.003 -13.200 266 HG21 VAL 37 HG13 VAL 37 9.820 5.428 -9.736 267 HG22 VAL 37 HG11 VAL 37 11.409 5.923 -10.327 268 HG23 VAL 37 HG12 VAL 37 10.944 4.223 -10.374 269 H HIS 38 H HIS 38 7.798 3.904 -9.781 270 HA HIS 38 HA HIS 38 5.998 6.218 -9.588 271 HB2 HIS 38 HB3 HIS 38 4.692 4.165 -10.078 272 HB3 HIS 38 HB2 HIS 38 5.370 3.437 -8.630 273 HD1 HIS 38 HD1 HIS 38 2.678 5.618 -9.800 274 HD2 HIS 38 HD2 HIS 38 4.480 4.721 -6.145 275 HE1 HIS 38 HE1 HIS 38 1.127 6.509 -8.039 276 HE2 HIS 38 HE2 HIS 38 2.393 6.231 -5.887 277 H THR 39 H THR 39 6.936 7.442 -8.058 278 HA THR 39 HA THR 39 8.022 6.110 -5.686 279 HB THR 39 HB THR 39 8.097 9.057 -6.391 280 HG1 THR 39 HG1 THR 39 10.482 8.123 -6.668 281 HG21 THR 39 HG21 THR 39 9.746 7.449 -4.440 282 HG22 THR 39 HG22 THR 39 8.406 8.507 -4.002 283 HG23 THR 39 HG23 THR 39 9.864 9.187 -4.731 284 H VAL 40 H VAL 40 6.905 6.133 -3.766 285 HA VAL 40 HA VAL 40 4.509 7.852 -3.667 286 HB VAL 40 HB VAL 40 4.042 5.386 -3.943 287 HG11 VAL 40 HG21 VAL 40 4.039 4.279 -1.602 288 HG12 VAL 40 HG22 VAL 40 5.453 5.327 -1.403 289 HG13 VAL 40 HG23 VAL 40 5.382 4.167 -2.741 290 HG21 VAL 40 HG13 VAL 40 2.941 6.725 -1.485 291 HG22 VAL 40 HG11 VAL 40 2.205 5.377 -2.352 292 HG23 VAL 40 HG12 VAL 40 2.354 6.950 -3.133 293 H VAL 41 H VAL 41 4.030 8.929 -1.787 294 HA VAL 41 HA VAL 41 6.248 9.242 0.066 295 HB VAL 41 HB VAL 41 3.672 10.828 -0.123 296 HG11 VAL 41 HG21 VAL 41 4.655 10.974 2.090 297 HG12 VAL 41 HG22 VAL 41 4.891 12.501 1.245 298 HG13 VAL 41 HG23 VAL 41 6.227 11.362 1.401 299 HG21 VAL 41 HG13 VAL 41 4.941 11.100 -2.154 300 HG22 VAL 41 HG11 VAL 41 6.412 11.417 -1.234 301 HG23 VAL 41 HG12 VAL 41 5.077 12.566 -1.185 302 H LEU 42 H LEU 42 6.262 7.909 1.644 303 HA LEU 42 HA LEU 42 4.243 6.342 2.690 304 HB2 LEU 42 HB2 LEU 42 6.827 7.312 3.814 305 HB3 LEU 42 HB3 LEU 42 5.712 6.423 4.837 306 HG LEU 42 HG LEU 42 7.564 5.086 3.732 307 HD11 LEU 42 HD11 LEU 42 4.756 4.173 3.156 308 HD12 LEU 42 HD12 LEU 42 5.446 4.239 4.778 309 HD13 LEU 42 HD13 LEU 42 6.161 3.189 3.564 310 HD21 LEU 42 HD21 LEU 42 7.467 6.022 1.497 311 HD22 LEU 42 HD22 LEU 42 5.798 5.469 1.316 312 HD23 LEU 42 HD23 LEU 42 7.105 4.295 1.454 313 H SER 43 H SER 43 5.023 9.665 3.532 314 HA SER 43 HA SER 43 3.423 9.618 5.913 315 HB2 SER 43 HB3 SER 43 5.168 11.182 5.943 316 HB3 SER 43 HB2 SER 43 4.717 11.843 4.374 317 HG SER 43 HG SER 43 2.904 11.965 6.526 318 H THR 44 H THR 44 2.914 10.600 2.566 319 HA THR 44 HA THR 44 0.238 11.494 3.038 320 HB THR 44 HB THR 44 -0.059 11.381 0.590 321 HG1 THR 44 HG1 THR 44 2.069 9.709 0.770 322 HG21 THR 44 HG21 THR 44 1.675 13.025 -0.016 323 HG22 THR 44 HG22 THR 44 2.534 12.644 1.477 324 HG23 THR 44 HG23 THR 44 0.932 13.380 1.544 325 H ILE 45 H ILE 45 1.719 8.470 2.922 326 HA ILE 45 HA ILE 45 -0.652 6.957 2.308 327 HB ILE 45 HB ILE 45 1.962 6.060 3.535 328 HG12 ILE 45 HG13 ILE 45 2.203 7.039 1.262 329 HG13 ILE 45 HG12 ILE 45 2.587 5.328 1.314 330 HG21 ILE 45 HG21 ILE 45 1.288 3.825 2.875 331 HG22 ILE 45 HG22 ILE 45 -0.225 4.457 2.231 332 HG23 ILE 45 HG23 ILE 45 0.094 4.534 3.964 333 HD11 ILE 45 HD11 ILE 45 1.325 5.608 -0.633 334 HD12 ILE 45 HD12 ILE 45 0.161 6.662 0.169 335 HD13 ILE 45 HD13 ILE 45 0.184 4.937 0.537 336 H ASP 46 H ASP 46 -2.241 6.638 3.711 337 HA ASP 46 HA ASP 46 -1.891 7.218 6.528 338 HB2 ASP 46 HB2 ASP 46 -3.918 8.004 5.492 339 HB3 ASP 46 HB3 ASP 46 -4.286 6.417 4.889 340 H LYS 47 H LYS 47 -2.559 4.417 4.491 341 HA LYS 47 HA LYS 47 -2.019 2.690 6.819 342 HB2 LYS 47 HB2 LYS 47 -4.027 1.895 4.721 343 HB3 LYS 47 HB3 LYS 47 -3.777 1.206 6.311 344 HG2 LYS 47 HG2 LYS 47 -4.804 3.997 5.986 345 HG3 LYS 47 HG3 LYS 47 -5.878 2.603 5.906 346 HD2 LYS 47 HD2 LYS 47 -4.960 1.922 8.148 347 HD3 LYS 47 HD3 LYS 47 -4.167 3.497 8.217 348 HE2 LYS 47 HE2 LYS 47 -6.295 4.621 8.059 349 HE3 LYS 47 HE3 LYS 47 -7.127 3.086 7.832 350 HZ1 LYS 47 HZ1 LYS 47 -5.707 3.974 10.280 351 HZ2 LYS 47 HZ2 LYS 47 -6.397 2.446 10.075 352 HZ3 LYS 47 HZ3 LYS 47 -7.380 3.820 10.088 353 H LEU 48 H LEU 48 -0.685 0.964 6.337 354 HA LEU 48 HA LEU 48 -0.375 0.376 3.482 355 HB2 LEU 48 HB2 LEU 48 1.810 0.827 4.081 356 HB3 LEU 48 HB3 LEU 48 1.577 0.204 5.713 357 HG LEU 48 HG LEU 48 1.451 -2.107 4.717 358 HD11 LEU 48 HD11 LEU 48 2.172 -2.489 2.524 359 HD12 LEU 48 HD12 LEU 48 2.714 -0.824 2.332 360 HD13 LEU 48 HD13 LEU 48 0.991 -1.184 2.396 361 HD21 LEU 48 HD21 LEU 48 4.058 -1.045 3.918 362 HD22 LEU 48 HD22 LEU 48 3.653 -2.381 4.999 363 HD23 LEU 48 HD23 LEU 48 3.556 -0.713 5.574 364 H GLN 49 H GLN 49 -0.598 -1.631 2.816 365 HA GLN 49 HA GLN 49 -1.767 -3.564 4.695 366 HB2 GLN 49 HB2 GLN 49 -2.557 -3.152 1.820 367 HB3 GLN 49 HB3 GLN 49 -3.309 -4.246 2.965 368 HG2 GLN 49 HG2 GLN 49 -3.329 -1.246 3.173 369 HG3 GLN 49 HG3 GLN 49 -4.656 -2.238 2.577 370 HE21 GLN 49 HE21 GLN 49 -4.218 -4.329 4.563 371 HE22 GLN 49 HE22 GLN 49 -4.802 -3.702 6.061 372 H ALA 50 H ALA 50 -1.412 -5.728 4.192 373 HA ALA 50 HA ALA 50 0.224 -6.557 1.990 374 HB1 ALA 50 HB1 ALA 50 1.952 -5.563 3.461 375 HB2 ALA 50 HB2 ALA 50 2.147 -7.311 3.307 376 HB3 ALA 50 HB3 ALA 50 1.433 -6.632 4.769 377 H THR 51 H THR 51 0.036 -8.752 1.673 378 HA THR 51 HA THR 51 -2.178 -10.140 2.617 379 HB THR 51 HB THR 51 -0.992 -12.201 1.815 380 HG1 THR 51 HG1 THR 51 1.154 -11.192 2.352 381 HG21 THR 51 HG21 THR 51 -2.278 -11.047 0.190 382 HG22 THR 51 HG22 THR 51 -0.716 -11.400 -0.564 383 HG23 THR 51 HG23 THR 51 -1.062 -9.778 0.038 384 HA PRO 52 HA PRO 52 -1.033 -11.408 6.744 385 HB2 PRO 52 HB3 PRO 52 -3.221 -12.978 7.089 386 HB3 PRO 52 HB2 PRO 52 -3.295 -11.217 7.175 387 HG2 PRO 52 HG3 PRO 52 -3.931 -13.029 4.880 388 HG3 PRO 52 HG2 PRO 52 -4.866 -11.681 5.520 389 HD2 PRO 52 HD2 PRO 52 -3.341 -11.410 3.357 390 HD3 PRO 52 HD3 PRO 52 -3.488 -10.108 4.542 391 H ALA 53 H ALA 53 -0.666 -13.486 7.857 392 HA ALA 53 HA ALA 53 0.693 -15.403 6.316 393 HB1 ALA 53 HB1 ALA 53 0.732 -16.761 8.341 394 HB2 ALA 53 HB2 ALA 53 -0.503 -15.731 9.066 395 HB3 ALA 53 HB3 ALA 53 1.095 -15.075 8.713 396 H SER 54 H SER 54 -2.634 -15.087 7.264 397 HA SER 54 HA SER 54 -3.535 -17.679 6.574 398 HB2 SER 54 HB3 SER 54 -4.768 -15.976 7.963 399 HB3 SER 54 HB2 SER 54 -5.102 -15.091 6.482 400 HG SER 54 HG SER 54 -5.760 -17.768 6.386 401 H SER 55 H SER 55 -2.714 -14.875 4.752 402 HA SER 55 HA SER 55 -4.137 -15.546 2.362 403 HB2 SER 55 HB3 SER 55 -3.452 -13.203 2.829 404 HB3 SER 55 HB2 SER 55 -1.767 -13.702 2.765 405 HG SER 55 HG SER 55 -3.537 -13.207 0.722 406 H GLU 56 H GLU 56 -3.501 -16.757 0.682 407 HA GLU 56 HA GLU 56 -1.052 -18.290 0.891 408 HB2 GLU 56 HB2 GLU 56 -3.298 -18.345 -1.081 409 HB3 GLU 56 HB3 GLU 56 -1.918 -19.425 -1.143 410 HG2 GLU 56 HG3 GLU 56 -3.895 -19.215 1.100 411 HG3 GLU 56 HG2 GLU 56 -3.809 -20.485 -0.114 412 H LYS 57 H LYS 57 -1.759 -15.326 -0.114 413 HA LYS 57 HA LYS 57 0.063 -15.364 -2.435 414 HB2 LYS 57 HB2 LYS 57 -1.454 -12.911 -1.988 415 HB3 LYS 57 HB3 LYS 57 -1.261 -13.843 -3.459 416 HG2 LYS 57 HG2 LYS 57 -3.149 -14.639 -1.268 417 HG3 LYS 57 HG3 LYS 57 -3.616 -13.571 -2.585 418 HD2 LYS 57 HD2 LYS 57 -2.538 -16.352 -2.905 419 HD3 LYS 57 HD3 LYS 57 -4.250 -15.946 -2.924 420 HE2 LYS 57 HE2 LYS 57 -2.161 -14.946 -4.844 421 HE3 LYS 57 HE3 LYS 57 -3.364 -16.183 -5.185 422 HZ1 LYS 57 HZ1 LYS 57 -4.125 -13.441 -4.366 423 HZ2 LYS 57 HZ2 LYS 57 -5.101 -14.622 -5.089 424 HZ3 LYS 57 HZ3 LYS 57 -3.880 -13.863 -5.983 425 H MET 58 H MET 58 1.074 -13.090 -2.662 426 HA MET 58 HA MET 58 1.977 -12.046 -0.071 427 HB2 MET 58 HB3 MET 58 4.072 -12.013 -2.063 428 HB3 MET 58 HB2 MET 58 4.123 -12.641 -0.430 429 HG2 MET 58 HG3 MET 58 2.844 -14.223 -2.617 430 HG3 MET 58 HG2 MET 58 4.582 -14.249 -2.392 431 HE1 MET 58 HE1 MET 58 4.433 -16.906 -2.112 432 HE2 MET 58 HE2 MET 58 2.681 -16.831 -2.302 433 HE3 MET 58 HE3 MET 58 3.384 -17.699 -0.937 434 H MET 59 H MET 59 1.374 -9.936 -0.141 435 HA MET 59 HA MET 59 1.851 -8.372 -2.523 436 HB2 MET 59 HB3 MET 59 -0.590 -9.715 -2.309 437 HB3 MET 59 HB2 MET 59 -0.948 -8.057 -1.850 438 HG2 MET 59 HG3 MET 59 -0.018 -7.253 -3.938 439 HG3 MET 59 HG2 MET 59 0.421 -8.898 -4.395 440 HE1 MET 59 HE1 MET 59 -1.364 -10.822 -4.841 441 HE2 MET 59 HE2 MET 59 -3.109 -10.568 -4.827 442 HE3 MET 59 HE3 MET 59 -2.195 -10.502 -3.319 443 H LEU 60 H LEU 60 1.737 -6.196 -2.208 444 HA LEU 60 HA LEU 60 1.087 -5.246 0.519 445 HB2 LEU 60 HB2 LEU 60 3.392 -4.794 -1.207 446 HB3 LEU 60 HB3 LEU 60 2.656 -3.298 -0.666 447 HG LEU 60 HG LEU 60 2.784 -4.505 1.690 448 HD11 LEU 60 HD11 LEU 60 5.055 -5.731 0.145 449 HD12 LEU 60 HD12 LEU 60 3.704 -6.593 0.892 450 HD13 LEU 60 HD13 LEU 60 4.881 -5.738 1.901 451 HD21 LEU 60 HD21 LEU 60 3.764 -2.378 1.189 452 HD22 LEU 60 HD22 LEU 60 5.062 -3.156 0.282 453 HD23 LEU 60 HD23 LEU 60 4.941 -3.390 2.026 454 H ARG 61 H ARG 61 -0.060 -3.253 0.656 455 HA ARG 61 HA ARG 61 -0.563 -1.769 -1.756 456 HB2 ARG 61 HB2 ARG 61 -2.493 -3.243 -1.805 457 HB3 ARG 61 HB3 ARG 61 -2.919 -2.787 -0.165 458 HG2 ARG 61 HG2 ARG 61 -3.764 -0.790 -0.772 459 HG3 ARG 61 HG3 ARG 61 -2.632 -0.592 -2.107 460 HD2 ARG 61 HD2 ARG 61 -4.649 -0.892 -3.173 461 HD3 ARG 61 HD3 ARG 61 -3.952 -2.495 -3.212 462 HE ARG 61 HE ARG 61 -5.545 -2.392 -0.944 463 HH11 ARG 61 HH11 ARG 61 -5.967 -2.040 -4.414 464 HH12 ARG 61 HH12 ARG 61 -7.580 -2.677 -4.413 465 HH21 ARG 61 HH21 ARG 61 -7.667 -3.204 -0.943 466 HH22 ARG 61 HH22 ARG 61 -8.556 -3.336 -2.429 467 H LEU 62 H LEU 62 -0.013 0.220 -1.284 468 HA LEU 62 HA LEU 62 -0.184 1.163 1.486 469 HB2 LEU 62 HB2 LEU 62 1.325 2.052 -0.956 470 HB3 LEU 62 HB3 LEU 62 1.161 3.119 0.412 471 HG LEU 62 HG LEU 62 2.153 1.215 1.804 472 HD11 LEU 62 HD11 LEU 62 2.570 0.185 -0.970 473 HD12 LEU 62 HD12 LEU 62 1.883 -0.641 0.426 474 HD13 LEU 62 HD13 LEU 62 3.610 -0.292 0.371 475 HD21 LEU 62 HD21 LEU 62 3.457 3.179 1.255 476 HD22 LEU 62 HD22 LEU 62 3.839 2.509 -0.330 477 HD23 LEU 62 HD23 LEU 62 4.461 1.729 1.133 478 H ILE 63 H ILE 63 -1.928 2.262 2.054 479 HA ILE 63 HA ILE 63 -3.727 3.306 0.039 480 HB ILE 63 HB ILE 63 -4.243 3.552 2.973 481 HG12 ILE 63 HG13 ILE 63 -3.384 1.265 2.731 482 HG13 ILE 63 HG12 ILE 63 -5.106 1.263 3.093 483 HG21 ILE 63 HG21 ILE 63 -6.544 3.191 2.325 484 HG22 ILE 63 HG22 ILE 63 -6.052 2.843 0.668 485 HG23 ILE 63 HG23 ILE 63 -5.830 4.462 1.333 486 HD11 ILE 63 HD11 ILE 63 -5.614 0.795 0.784 487 HD12 ILE 63 HD12 ILE 63 -4.490 -0.406 1.427 488 HD13 ILE 63 HD13 ILE 63 -3.903 0.880 0.373 489 H GLY 64 H GLY 64 -3.271 5.309 -0.677 490 HA2 GLY 64 HA3 GLY 64 -1.893 7.205 0.998 491 HA3 GLY 64 HA2 GLY 64 -2.431 7.475 -0.648 492 H LYS 65 H LYS 65 -2.677 9.039 1.871 493 HA LYS 65 HA LYS 65 -5.242 8.903 2.949 494 HB2 LYS 65 HB2 LYS 65 -3.206 11.113 2.810 495 HB3 LYS 65 HB3 LYS 65 -4.727 11.278 3.688 496 HG2 LYS 65 HG2 LYS 65 -4.104 9.841 5.319 497 HG3 LYS 65 HG3 LYS 65 -3.133 8.865 4.210 498 HD2 LYS 65 HD2 LYS 65 -1.329 10.257 4.353 499 HD3 LYS 65 HD3 LYS 65 -2.258 11.601 5.007 500 HE2 LYS 65 HE2 LYS 65 -1.416 9.064 6.373 501 HE3 LYS 65 HE3 LYS 65 -0.944 10.708 6.779 502 HZ1 LYS 65 HZ1 LYS 65 -3.609 9.466 7.141 503 HZ2 LYS 65 HZ2 LYS 65 -3.325 11.120 7.324 504 HZ3 LYS 65 HZ3 LYS 65 -2.558 10.013 8.345 505 H VAL 66 H VAL 66 -7.120 9.742 2.494 506 HA VAL 66 HA VAL 66 -7.511 10.787 -0.179 507 HB VAL 66 HB VAL 66 -9.040 9.094 0.733 508 HG11 VAL 66 HG21 VAL 66 -9.083 9.751 3.059 509 HG12 VAL 66 HG22 VAL 66 -10.723 9.707 2.413 510 HG13 VAL 66 HG23 VAL 66 -9.905 11.253 2.641 511 HG21 VAL 66 HG13 VAL 66 -10.366 11.721 0.107 512 HG22 VAL 66 HG11 VAL 66 -11.160 10.145 0.067 513 HG23 VAL 66 HG12 VAL 66 -9.847 10.499 -1.055 514 H ASP 67 H ASP 67 -8.700 12.686 -0.609 515 HA ASP 67 HA ASP 67 -8.296 14.782 1.419 516 HB2 ASP 67 HB2 ASP 67 -7.017 15.095 -0.682 517 HB3 ASP 67 HB3 ASP 67 -8.529 15.089 -1.583 518 H GLU 68 H GLU 68 -10.193 14.672 2.507 519 HA GLU 68 HA GLU 68 -12.718 14.413 1.190 520 HB2 GLU 68 HB2 GLU 68 -12.251 15.249 4.035 521 HB3 GLU 68 HB3 GLU 68 -13.708 14.563 3.365 522 HG2 GLU 68 HG3 GLU 68 -12.867 12.779 4.417 523 HG3 GLU 68 HG2 GLU 68 -12.098 12.548 2.851 524 H SER 69 H SER 69 -10.667 16.993 1.471 525 HA SER 69 HA SER 69 -12.331 19.111 2.161 526 HB2 SER 69 HB3 SER 69 -9.943 19.102 0.321 527 HB3 SER 69 HB2 SER 69 -10.596 20.461 1.211 528 HG SER 69 HG SER 69 -10.216 18.985 3.125 529 H LYS 70 H LYS 70 -11.772 17.463 -0.908 530 HA LYS 70 HA LYS 70 -13.975 19.053 -1.996 531 HB2 LYS 70 HB2 LYS 70 -12.954 18.173 -4.265 532 HB3 LYS 70 HB3 LYS 70 -12.421 19.666 -3.510 533 HG2 LYS 70 HG2 LYS 70 -10.480 18.554 -4.188 534 HG3 LYS 70 HG3 LYS 70 -10.586 18.270 -2.448 535 HD2 LYS 70 HD2 LYS 70 -11.373 16.086 -2.755 536 HD3 LYS 70 HD3 LYS 70 -11.705 16.365 -4.455 537 HE2 LYS 70 HE2 LYS 70 -9.298 16.572 -4.886 538 HE3 LYS 70 HE3 LYS 70 -8.971 16.305 -3.175 539 HZ1 LYS 70 HZ1 LYS 70 -10.222 14.360 -5.041 540 HZ2 LYS 70 HZ2 LYS 70 -9.972 14.099 -3.391 541 HZ3 LYS 70 HZ3 LYS 70 -8.648 14.284 -4.425 542 H LYS 71 H LYS 71 -15.433 17.632 -0.991 543 HA LYS 71 HA LYS 71 -15.660 14.918 -1.473 544 HB2 LYS 71 HB2 LYS 71 -17.894 16.893 -1.048 545 HB3 LYS 71 HB3 LYS 71 -18.014 15.157 -0.864 546 HG2 LYS 71 HG2 LYS 71 -16.443 15.238 0.994 547 HG3 LYS 71 HG3 LYS 71 -16.304 16.988 0.801 548 HD2 LYS 71 HD2 LYS 71 -18.920 15.606 1.269 549 HD3 LYS 71 HD3 LYS 71 -17.907 16.176 2.595 550 HE2 LYS 71 HE2 LYS 71 -19.074 17.843 0.376 551 HE3 LYS 71 HE3 LYS 71 -19.677 17.765 2.027 552 HZ1 LYS 71 HZ1 LYS 71 -17.001 18.764 1.216 553 HZ2 LYS 71 HZ2 LYS 71 -17.580 18.681 2.802 554 HZ3 LYS 71 HZ3 LYS 71 -18.312 19.720 1.687 555 H ARG 72 H ARG 72 -16.573 13.731 -3.088 556 HA ARG 72 HA ARG 72 -16.986 15.198 -5.566 557 HB2 ARG 72 HB2 ARG 72 -16.039 13.455 -6.658 558 HB3 ARG 72 HB3 ARG 72 -15.388 13.083 -5.072 559 HG2 ARG 72 HG2 ARG 72 -17.037 11.416 -4.731 560 HG3 ARG 72 HG3 ARG 72 -17.899 11.869 -6.190 561 HD2 ARG 72 HD2 ARG 72 -15.874 11.277 -7.462 562 HD3 ARG 72 HD3 ARG 72 -15.129 10.706 -5.984 563 HE ARG 72 HE ARG 72 -17.667 9.484 -6.678 564 HH11 ARG 72 HH11 ARG 72 -14.176 9.289 -6.905 565 HH12 ARG 72 HH12 ARG 72 -14.160 7.578 -7.196 566 HH21 ARG 72 HH21 ARG 72 -17.645 7.222 -7.075 567 HH22 ARG 72 HH22 ARG 72 -16.132 6.404 -7.286 568 H LYS 73 H LYS 73 -18.655 14.030 -7.076 569 HA LYS 73 HA LYS 73 -21.082 13.655 -5.481 570 HB2 LYS 73 HB2 LYS 73 -21.037 15.106 -8.072 571 HB3 LYS 73 HB3 LYS 73 -22.336 15.048 -6.904 572 HG2 LYS 73 HG2 LYS 73 -21.561 17.100 -6.389 573 HG3 LYS 73 HG3 LYS 73 -20.424 16.176 -5.402 574 HD2 LYS 73 HD2 LYS 73 -18.974 16.123 -7.518 575 HD3 LYS 73 HD3 LYS 73 -19.998 17.440 -8.086 576 HE2 LYS 73 HE2 LYS 73 -18.391 17.422 -5.541 577 HE3 LYS 73 HE3 LYS 73 -17.967 18.280 -7.018 578 HZ1 LYS 73 HZ1 LYS 73 -19.938 19.631 -6.775 579 HZ2 LYS 73 HZ2 LYS 73 -19.000 19.733 -5.375 580 HZ3 LYS 73 HZ3 LYS 73 -20.399 18.784 -5.387 581 H ASP 74 H ASP 74 -22.937 12.717 -6.930 582 HA ASP 74 HA ASP 74 -21.787 10.335 -8.094 583 HB2 ASP 74 HB2 ASP 74 -23.917 10.541 -6.599 584 HB3 ASP 74 HB3 ASP 74 -24.708 10.957 -8.110 585 H ASN 75 H ASN 75 -23.704 9.763 -10.126 586 HA ASN 75 HA ASN 75 -22.377 11.011 -12.280 587 HB2 ASN 75 HB2 ASN 75 -24.078 9.898 -13.721 588 HB3 ASN 75 HB3 ASN 75 -23.279 8.818 -12.591 589 HD21 ASN 75 HD21 ASN 75 -24.897 7.310 -12.660 590 HD22 ASN 75 HD22 ASN 75 -26.449 7.562 -11.938 591 H GLU 76 H GLU 76 -25.071 12.030 -10.441 592 HA GLU 76 HA GLU 76 -25.976 13.876 -12.530 593 HB2 GLU 76 HB2 GLU 76 -27.591 12.487 -11.173 594 HB3 GLU 76 HB3 GLU 76 -27.134 13.450 -9.783 595 HG2 GLU 76 HG3 GLU 76 -27.829 15.473 -11.098 596 HG3 GLU 76 HG2 GLU 76 -28.538 14.360 -12.266 597 H GLY 77 H GLY 77 -23.900 13.734 -9.925 598 HA2 GLY 77 HA3 GLY 77 -22.626 15.543 -9.065 599 HA3 GLY 77 HA2 GLY 77 -23.901 16.640 -9.592 600 H ASN 78 H ASN 78 -24.400 13.663 -7.762 601 HA ASN 78 HA ASN 78 -25.792 15.140 -5.733 602 HB2 ASN 78 HB2 ASN 78 -25.257 12.198 -6.020 603 HB3 ASN 78 HB3 ASN 78 -26.275 12.904 -4.767 604 HD21 ASN 78 HD21 ASN 78 -26.019 11.812 -7.947 605 HD22 ASN 78 HD22 ASN 78 -27.616 12.157 -8.455 606 H GLU 79 H GLU 79 -24.087 12.382 -4.639 607 HA GLU 79 HA GLU 79 -21.888 13.823 -3.458 608 HB2 GLU 79 HB2 GLU 79 -23.992 12.590 -1.722 609 HB3 GLU 79 HB3 GLU 79 -22.451 13.181 -1.148 610 HG2 GLU 79 HG3 GLU 79 -23.214 15.426 -2.148 611 HG3 GLU 79 HG2 GLU 79 -24.819 14.703 -2.134 612 H VAL 80 H VAL 80 -20.212 12.460 -3.817 613 HA VAL 80 HA VAL 80 -20.582 9.704 -2.797 614 HB VAL 80 HB VAL 80 -18.525 10.355 -4.874 615 HG11 VAL 80 HG21 VAL 80 -18.216 8.327 -3.559 616 HG12 VAL 80 HG22 VAL 80 -18.507 7.966 -5.260 617 HG13 VAL 80 HG23 VAL 80 -19.798 7.751 -4.081 618 HG21 VAL 80 HG13 VAL 80 -21.321 9.358 -5.387 619 HG22 VAL 80 HG11 VAL 80 -20.019 9.372 -6.577 620 HG23 VAL 80 HG12 VAL 80 -20.630 10.890 -5.923 621 H VAL 81 H VAL 81 -18.881 8.912 -1.581 622 HA VAL 81 HA VAL 81 -16.760 10.845 -1.027 623 HB VAL 81 HB VAL 81 -18.018 10.421 1.001 624 HG11 VAL 81 HG21 VAL 81 -18.965 8.251 0.476 625 HG12 VAL 81 HG22 VAL 81 -18.134 8.203 2.029 626 HG13 VAL 81 HG23 VAL 81 -17.372 7.507 0.601 627 HG21 VAL 81 HG13 VAL 81 -15.632 10.780 1.225 628 HG22 VAL 81 HG11 VAL 81 -15.338 9.050 1.051 629 HG23 VAL 81 HG12 VAL 81 -16.204 9.658 2.462 630 HA PRO 82 HA PRO 82 -14.628 7.814 -3.529 631 HB2 PRO 82 HB3 PRO 82 -12.412 9.362 -3.786 632 HB3 PRO 82 HB2 PRO 82 -13.821 9.467 -4.834 633 HG2 PRO 82 HG3 PRO 82 -13.056 11.151 -2.515 634 HG3 PRO 82 HG2 PRO 82 -13.778 11.639 -4.046 635 HD2 PRO 82 HD2 PRO 82 -15.182 11.439 -1.793 636 HD3 PRO 82 HD3 PRO 82 -15.873 11.041 -3.362 637 H LYS 83 H LYS 83 -13.229 6.282 -3.049 638 HA LYS 83 HA LYS 83 -12.189 6.067 -0.406 639 HB2 LYS 83 HB2 LYS 83 -11.789 4.396 -2.892 640 HB3 LYS 83 HB3 LYS 83 -11.164 3.962 -1.305 641 HG2 LYS 83 HG2 LYS 83 -13.351 3.737 -0.414 642 HG3 LYS 83 HG3 LYS 83 -14.078 4.437 -1.861 643 HD2 LYS 83 HD2 LYS 83 -13.359 2.529 -3.176 644 HD3 LYS 83 HD3 LYS 83 -12.544 1.842 -1.768 645 HE2 LYS 83 HE2 LYS 83 -14.731 0.798 -2.193 646 HE3 LYS 83 HE3 LYS 83 -14.657 1.590 -0.624 647 HZ1 LYS 83 HZ1 LYS 83 -16.741 2.018 -1.818 648 HZ2 LYS 83 HZ2 LYS 83 -15.873 2.785 -3.054 649 HZ3 LYS 83 HZ3 LYS 83 -15.887 3.443 -1.498 650 HA PRO 84 HA PRO 84 -8.300 8.109 -0.823 651 HB2 PRO 84 HB3 PRO 84 -7.199 5.855 0.749 652 HB3 PRO 84 HB2 PRO 84 -7.163 7.587 1.082 653 HG2 PRO 84 HG3 PRO 84 -8.763 5.908 2.440 654 HG3 PRO 84 HG2 PRO 84 -9.237 7.575 2.076 655 HD2 PRO 84 HD2 PRO 84 -10.144 5.032 0.832 656 HD3 PRO 84 HD3 PRO 84 -11.026 6.550 1.087 657 H GLN 85 H GLN 85 -6.706 8.019 -2.327 658 HA GLN 85 HA GLN 85 -6.726 5.757 -4.071 659 HB2 GLN 85 HB2 GLN 85 -5.452 7.004 -5.590 660 HB3 GLN 85 HB3 GLN 85 -6.469 8.196 -4.798 661 HG2 GLN 85 HG2 GLN 85 -3.596 7.620 -4.202 662 HG3 GLN 85 HG3 GLN 85 -4.221 9.025 -5.067 663 HE21 GLN 85 HE21 GLN 85 -2.744 8.538 -2.481 664 HE22 GLN 85 HE22 GLN 85 -3.656 9.376 -1.296 665 H ARG 86 H ARG 86 -5.723 4.058 -3.791 666 HA ARG 86 HA ARG 86 -3.407 3.981 -2.024 667 HB2 ARG 86 HB2 ARG 86 -4.141 1.584 -1.590 668 HB3 ARG 86 HB3 ARG 86 -5.188 2.853 -0.976 669 HG2 ARG 86 HG2 ARG 86 -6.605 2.591 -2.981 670 HG3 ARG 86 HG3 ARG 86 -5.651 1.184 -3.428 671 HD2 ARG 86 HD2 ARG 86 -6.293 0.109 -1.374 672 HD3 ARG 86 HD3 ARG 86 -7.176 1.535 -0.854 673 HE ARG 86 HE ARG 86 -8.105 0.570 -3.370 674 HH11 ARG 86 HH11 ARG 86 -8.289 -0.023 0.077 675 HH12 ARG 86 HH12 ARG 86 -9.837 -0.796 -0.008 676 HH21 ARG 86 HH21 ARG 86 -10.158 -0.428 -3.488 677 HH22 ARG 86 HH22 ARG 86 -10.912 -1.014 -2.038 678 H HIS 87 H HIS 87 -1.914 2.178 -2.383 679 HA HIS 87 HA HIS 87 -1.381 1.929 -5.274 680 HB2 HIS 87 HB3 HIS 87 0.584 2.639 -3.085 681 HB3 HIS 87 HB2 HIS 87 0.939 2.568 -4.796 682 HD1 HIS 87 HD1 HIS 87 -0.833 4.333 -6.210 683 HD2 HIS 87 HD2 HIS 87 0.167 5.151 -2.258 684 HE1 HIS 87 HE1 HIS 87 -1.380 6.763 -5.859 685 HE2 HIS 87 HE2 HIS 87 -0.676 7.259 -3.495 686 H MET 88 H MET 88 -1.260 -0.198 -5.750 687 HA MET 88 HA MET 88 -0.502 -2.028 -3.580 688 HB2 MET 88 HB3 MET 88 -2.780 -2.306 -4.545 689 HB3 MET 88 HB2 MET 88 -2.035 -2.681 -6.091 690 HG2 MET 88 HG3 MET 88 -0.812 -4.533 -4.920 691 HG3 MET 88 HG2 MET 88 -1.853 -4.247 -3.543 692 HE1 MET 88 HE1 MET 88 -5.286 -5.511 -4.571 693 HE2 MET 88 HE2 MET 88 -4.763 -3.830 -4.493 694 HE3 MET 88 HE3 MET 88 -4.210 -4.980 -3.278 695 H PHE 89 H PHE 89 1.285 -3.215 -3.725 696 HA PHE 89 HA PHE 89 2.424 -3.652 -6.403 697 HB2 PHE 89 HB3 PHE 89 4.105 -3.972 -3.967 698 HB3 PHE 89 HB2 PHE 89 4.560 -3.442 -5.582 699 HD1 PHE 89 HD2 PHE 89 3.370 -1.157 -6.273 700 HD2 PHE 89 HD1 PHE 89 4.234 -2.394 -2.306 701 HE1 PHE 89 HE2 PHE 89 3.314 1.174 -5.532 702 HE2 PHE 89 HE1 PHE 89 4.185 -0.046 -1.568 703 HZ PHE 89 HZ PHE 89 3.819 1.715 -3.113 704 H SER 90 H SER 90 2.327 -5.680 -7.031 705 HA SER 90 HA SER 90 1.660 -7.753 -5.137 706 HB2 SER 90 HB3 SER 90 2.042 -7.901 -8.131 707 HB3 SER 90 HB2 SER 90 1.332 -9.149 -7.119 708 HG SER 90 HG SER 90 -0.287 -7.530 -6.555 709 H PHE 91 H PHE 91 3.102 -9.046 -4.229 710 HA PHE 91 HA PHE 91 5.775 -9.199 -5.448 711 HB2 PHE 91 HB3 PHE 91 4.843 -9.501 -2.607 712 HB3 PHE 91 HB2 PHE 91 6.353 -10.238 -3.131 713 HD1 PHE 91 HD2 PHE 91 7.976 -8.648 -4.424 714 HD2 PHE 91 HD1 PHE 91 4.899 -7.353 -1.805 715 HE1 PHE 91 HE2 PHE 91 9.149 -6.509 -4.120 716 HE2 PHE 91 HE1 PHE 91 6.065 -5.206 -1.494 717 HZ PHE 91 HZ PHE 91 8.189 -4.781 -2.654 718 H ASN 92 H ASN 92 6.906 -11.264 -5.139 719 HA ASN 92 HA ASN 92 5.119 -13.506 -5.747 720 HB2 ASN 92 HB2 ASN 92 6.700 -12.699 -7.527 721 HB3 ASN 92 HB3 ASN 92 8.036 -13.125 -6.466 722 HD21 ASN 92 HD21 ASN 92 5.496 -14.291 -8.486 723 HD22 ASN 92 HD22 ASN 92 6.042 -15.925 -8.564 724 H ASN 93 H ASN 93 7.181 -12.214 -3.438 725 HA ASN 93 HA ASN 93 7.724 -14.859 -2.274 726 HB2 ASN 93 HB2 ASN 93 9.763 -13.909 -3.247 727 HB3 ASN 93 HB3 ASN 93 9.545 -12.445 -2.304 728 HD21 ASN 93 HD21 ASN 93 10.340 -15.841 -2.155 729 HD22 ASN 93 HD22 ASN 93 11.074 -15.791 -0.591 730 H ARG 94 H ARG 94 6.944 -15.121 -0.345 731 HA ARG 94 HA ARG 94 5.435 -13.245 1.050 732 HB2 ARG 94 HB2 ARG 94 4.952 -15.475 1.515 733 HB3 ARG 94 HB3 ARG 94 6.631 -15.888 1.762 734 HG2 ARG 94 HG2 ARG 94 5.543 -15.962 3.863 735 HG3 ARG 94 HG3 ARG 94 6.602 -14.549 3.841 736 HD2 ARG 94 HD2 ARG 94 4.657 -13.166 3.232 737 HD3 ARG 94 HD3 ARG 94 3.634 -14.586 3.418 738 HE ARG 94 HE ARG 94 5.113 -14.264 5.767 739 HH11 ARG 94 HH11 ARG 94 2.541 -12.703 4.011 740 HH12 ARG 94 HH12 ARG 94 1.866 -11.937 5.411 741 HH21 ARG 94 HH21 ARG 94 4.236 -13.278 7.629 742 HH22 ARG 94 HH22 ARG 94 2.825 -12.281 7.482 743 H THR 95 H THR 95 8.843 -14.044 1.295 744 HA THR 95 HA THR 95 9.234 -12.769 3.815 745 HB THR 95 HB THR 95 11.235 -13.517 1.677 746 HG1 THR 95 HG1 THR 95 10.581 -15.423 2.410 747 HG21 THR 95 HG21 THR 95 12.921 -13.285 3.387 748 HG22 THR 95 HG22 THR 95 11.698 -12.846 4.579 749 HG23 THR 95 HG23 THR 95 12.035 -11.770 3.222 750 H VAL 96 H VAL 96 10.243 -11.865 0.526 751 HA VAL 96 HA VAL 96 11.137 -9.323 0.835 752 HB VAL 96 HB VAL 96 9.246 -10.254 -1.350 753 HG11 VAL 96 HG21 VAL 96 10.323 -8.480 -2.698 754 HG12 VAL 96 HG22 VAL 96 11.201 -7.942 -1.265 755 HG13 VAL 96 HG23 VAL 96 9.439 -7.831 -1.314 756 HG21 VAL 96 HG13 VAL 96 11.295 -10.732 -2.617 757 HG22 VAL 96 HG11 VAL 96 11.224 -11.684 -1.135 758 HG23 VAL 96 HG12 VAL 96 12.274 -10.271 -1.224 759 H MET 97 H MET 97 7.707 -10.127 0.174 760 HA MET 97 HA MET 97 6.838 -7.482 0.497 761 HB2 MET 97 HB3 MET 97 4.613 -8.352 0.449 762 HB3 MET 97 HB2 MET 97 5.614 -9.274 -0.669 763 HG2 MET 97 HG3 MET 97 4.905 -11.110 0.271 764 HG3 MET 97 HG2 MET 97 5.706 -10.651 1.772 765 HE1 MET 97 HE1 MET 97 2.850 -9.303 3.939 766 HE2 MET 97 HE2 MET 97 4.161 -8.443 3.129 767 HE3 MET 97 HE3 MET 97 4.469 -10.000 3.896 768 H ASP 98 H ASP 98 7.427 -10.004 2.875 769 HA ASP 98 HA ASP 98 6.001 -8.694 4.986 770 HB2 ASP 98 HB2 ASP 98 6.534 -11.063 5.190 771 HB3 ASP 98 HB3 ASP 98 8.258 -10.711 5.088 772 H ASN 99 H ASN 99 9.129 -8.476 3.578 773 HA ASN 99 HA ASN 99 10.355 -6.960 5.705 774 HB2 ASN 99 HB2 ASN 99 11.181 -7.565 2.851 775 HB3 ASN 99 HB3 ASN 99 12.188 -6.675 3.978 776 HD21 ASN 99 HD21 ASN 99 12.417 -9.315 2.562 777 HD22 ASN 99 HD22 ASN 99 12.830 -10.421 3.821 778 H ILE 100 H ILE 100 9.270 -6.315 2.411 779 HA ILE 100 HA ILE 100 9.676 -3.559 2.336 780 HB ILE 100 HB ILE 100 7.548 -5.253 1.016 781 HG12 ILE 100 HG13 ILE 100 9.880 -5.808 0.446 782 HG13 ILE 100 HG12 ILE 100 9.011 -5.140 -0.930 783 HG21 ILE 100 HG21 ILE 100 6.912 -2.856 1.135 784 HG22 ILE 100 HG22 ILE 100 7.165 -3.434 -0.512 785 HG23 ILE 100 HG23 ILE 100 8.400 -2.463 0.280 786 HD11 ILE 100 HD11 ILE 100 10.033 -2.931 -0.400 787 HD12 ILE 100 HD12 ILE 100 11.175 -4.182 -0.901 788 HD13 ILE 100 HD13 ILE 100 11.028 -3.755 0.804 789 H LYS 101 H LYS 101 6.753 -5.378 3.229 790 HA LYS 101 HA LYS 101 5.135 -3.245 3.933 791 HB2 LYS 101 HB2 LYS 101 4.080 -5.319 3.782 792 HB3 LYS 101 HB3 LYS 101 5.277 -6.118 4.800 793 HG2 LYS 101 HG2 LYS 101 4.271 -4.417 6.584 794 HG3 LYS 101 HG3 LYS 101 2.866 -4.579 5.534 795 HD2 LYS 101 HD2 LYS 101 2.597 -6.257 7.153 796 HD3 LYS 101 HD3 LYS 101 3.218 -7.096 5.733 797 HE2 LYS 101 HE2 LYS 101 5.521 -6.933 6.741 798 HE3 LYS 101 HE3 LYS 101 4.756 -6.279 8.193 799 HZ1 LYS 101 HZ1 LYS 101 3.720 -8.805 7.154 800 HZ2 LYS 101 HZ2 LYS 101 3.869 -8.277 8.753 801 HZ3 LYS 101 HZ3 LYS 101 5.231 -8.842 7.916 802 H MET 102 H MET 102 7.345 -5.149 6.010 803 HA MET 102 HA MET 102 6.677 -3.759 8.387 804 HB2 MET 102 HB3 MET 102 8.464 -4.959 9.433 805 HB3 MET 102 HB2 MET 102 7.693 -6.044 8.290 806 HG2 MET 102 HG3 MET 102 9.876 -6.490 7.928 807 HG3 MET 102 HG2 MET 102 9.559 -5.297 6.685 808 HE1 MET 102 HE1 MET 102 11.138 -5.999 10.158 809 HE2 MET 102 HE2 MET 102 10.093 -4.637 10.559 810 HE3 MET 102 HE3 MET 102 11.845 -4.444 10.593 811 H THR 103 H THR 103 8.868 -3.096 5.809 812 HA THR 103 HA THR 103 10.521 -1.217 7.141 813 HB THR 103 HB THR 103 9.817 -1.572 4.222 814 HG1 THR 103 HG1 THR 103 11.047 -3.280 4.951 815 HG21 THR 103 HG21 THR 103 10.481 0.724 4.628 816 HG22 THR 103 HG22 THR 103 11.722 -0.153 3.717 817 HG23 THR 103 HG23 THR 103 11.950 0.166 5.439 818 H LEU 104 H LEU 104 7.661 -0.949 5.095 819 HA LEU 104 HA LEU 104 7.585 1.870 5.107 820 HB2 LEU 104 HB2 LEU 104 5.367 -0.100 4.599 821 HB3 LEU 104 HB3 LEU 104 5.333 1.589 4.164 822 HG LEU 104 HG LEU 104 7.431 -0.210 3.026 823 HD11 LEU 104 HD11 LEU 104 4.600 0.080 2.112 824 HD12 LEU 104 HD12 LEU 104 5.463 -1.405 2.511 825 HD13 LEU 104 HD13 LEU 104 5.904 -0.488 1.072 826 HD21 LEU 104 HD21 LEU 104 7.347 1.355 1.194 827 HD22 LEU 104 HD22 LEU 104 7.636 2.199 2.710 828 HD23 LEU 104 HD23 LEU 104 6.026 2.211 1.985 829 H GLN 105 H GLN 105 5.441 -0.482 6.710 830 HA GLN 105 HA GLN 105 3.910 1.245 8.187 831 HB2 GLN 105 HB2 GLN 105 4.949 -1.355 9.289 832 HB3 GLN 105 HB3 GLN 105 3.490 -0.517 9.780 833 HG2 GLN 105 HG2 GLN 105 2.593 -0.888 7.499 834 HG3 GLN 105 HG3 GLN 105 4.019 -1.864 7.152 835 HE21 GLN 105 HE21 GLN 105 4.362 -3.744 8.423 836 HE22 GLN 105 HE22 GLN 105 3.022 -4.575 9.114 837 H GLN 106 H GLN 106 7.246 0.366 8.831 838 HA GLN 106 HA GLN 106 7.405 1.173 11.516 839 HB2 GLN 106 HB2 GLN 106 9.275 0.741 9.283 840 HB3 GLN 106 HB3 GLN 106 9.854 1.732 10.593 841 HG2 GLN 106 HG2 GLN 106 9.355 -0.093 12.163 842 HG3 GLN 106 HG3 GLN 106 8.838 -1.085 10.800 843 HE21 GLN 106 HE21 GLN 106 10.368 -1.943 9.413 844 HE22 GLN 106 HE22 GLN 106 12.063 -1.931 9.779 845 H ILE 107 H ILE 107 7.425 2.788 8.513 846 HA ILE 107 HA ILE 107 8.098 5.442 9.477 847 HB ILE 107 HB ILE 107 6.960 4.516 6.828 848 HG12 ILE 107 HG13 ILE 107 9.879 4.985 7.332 849 HG13 ILE 107 HG12 ILE 107 9.156 3.417 7.634 850 HG21 ILE 107 HG21 ILE 107 7.958 6.563 5.950 851 HG22 ILE 107 HG22 ILE 107 8.456 7.009 7.580 852 HG23 ILE 107 HG23 ILE 107 6.740 6.872 7.183 853 HD11 ILE 107 HD11 ILE 107 9.506 4.864 5.044 854 HD12 ILE 107 HD12 ILE 107 8.323 3.574 5.221 855 HD13 ILE 107 HD13 ILE 107 10.031 3.239 5.495 856 H ILE 108 H ILE 108 5.286 3.693 8.220 857 HA ILE 108 HA ILE 108 3.580 5.941 8.158 858 HB ILE 108 HB ILE 108 2.588 3.114 8.462 859 HG12 ILE 108 HG13 ILE 108 4.218 4.339 6.309 860 HG13 ILE 108 HG12 ILE 108 4.144 2.671 6.835 861 HG21 ILE 108 HG21 ILE 108 1.596 5.350 6.705 862 HG22 ILE 108 HG22 ILE 108 1.027 5.089 8.349 863 HG23 ILE 108 HG23 ILE 108 0.765 3.848 7.123 864 HD11 ILE 108 HD11 ILE 108 2.005 2.419 5.657 865 HD12 ILE 108 HD12 ILE 108 3.339 2.868 4.591 866 HD13 ILE 108 HD13 ILE 108 2.156 4.081 5.081 867 H SER 109 H SER 109 3.731 3.240 10.511 868 HA SER 109 HA SER 109 1.984 4.291 12.408 869 HB2 SER 109 HB3 SER 109 4.488 2.669 12.919 870 HB3 SER 109 HB2 SER 109 3.117 2.839 14.016 871 HG SER 109 HG SER 109 2.422 1.122 13.017 872 H ARG 110 H ARG 110 5.220 5.187 11.596 873 HA ARG 110 HA ARG 110 5.874 6.671 13.926 874 HB2 ARG 110 HB2 ARG 110 7.034 6.072 11.364 875 HB3 ARG 110 HB3 ARG 110 7.240 7.763 11.719 876 HG2 ARG 110 HG2 ARG 110 8.295 7.153 13.837 877 HG3 ARG 110 HG3 ARG 110 8.058 5.459 13.402 878 HD2 ARG 110 HD2 ARG 110 9.414 5.741 11.422 879 HD3 ARG 110 HD3 ARG 110 9.619 7.445 11.789 880 HE ARG 110 HE ARG 110 10.634 6.303 13.986 881 HH11 ARG 110 HH11 ARG 110 11.146 5.676 10.584 882 HH12 ARG 110 HH12 ARG 110 12.763 5.080 10.797 883 HH21 ARG 110 HH21 ARG 110 12.779 5.532 14.280 884 HH22 ARG 110 HH22 ARG 110 13.693 5.000 12.905 885 H TYR 111 H TYR 111 4.286 7.342 10.908 886 HA TYR 111 HA TYR 111 4.126 10.173 11.481 887 HB2 TYR 111 HB3 TYR 111 3.511 8.477 9.102 888 HB3 TYR 111 HB2 TYR 111 2.838 10.098 9.207 889 HD1 TYR 111 HD2 TYR 111 4.331 12.063 9.210 890 HD2 TYR 111 HD1 TYR 111 5.857 8.126 8.782 891 HE1 TYR 111 HE2 TYR 111 6.483 12.987 8.456 892 HE2 TYR 111 HE1 TYR 111 8.015 9.032 8.033 893 HH TYR 111 HH TYR 111 8.881 12.248 8.414 894 H LYS 112 H LYS 112 2.094 7.362 11.647 895 HA LYS 112 HA LYS 112 -0.338 8.826 12.081 896 HB2 LYS 112 HB2 LYS 112 0.423 5.970 12.746 897 HB3 LYS 112 HB3 LYS 112 -1.190 6.641 12.963 898 HG2 LYS 112 HG2 LYS 112 -1.683 6.412 10.806 899 HG3 LYS 112 HG3 LYS 112 -0.125 7.070 10.295 900 HD2 LYS 112 HD2 LYS 112 -0.257 4.800 9.549 901 HD3 LYS 112 HD3 LYS 112 0.911 4.890 10.852 902 HE2 LYS 112 HE2 LYS 112 -0.420 2.945 11.166 903 HE3 LYS 112 HE3 LYS 112 -0.841 4.112 12.414 904 HZ1 LYS 112 HZ1 LYS 112 -2.392 3.677 9.921 905 HZ2 LYS 112 HZ2 LYS 112 -2.814 4.698 11.202 906 HZ3 LYS 112 HZ3 LYS 112 -2.787 3.024 11.430 907 H ASP 113 H ASP 113 2.316 7.705 14.002 908 HA ASP 113 HA ASP 113 1.172 8.256 16.550 909 HB2 ASP 113 HB2 ASP 113 3.065 6.754 16.352 910 HB3 ASP 113 HB3 ASP 113 4.045 8.023 15.627 911 H ALA 114 H ALA 114 2.305 10.184 14.027 912 HA ALA 114 HA ALA 114 2.891 12.461 15.776 913 HB1 ALA 114 HB1 ALA 114 3.811 13.523 13.777 914 HB2 ALA 114 HB2 ALA 114 3.322 12.134 12.807 915 HB3 ALA 114 HB3 ALA 114 4.553 11.949 14.056 916 H ASP 115 H ASP 115 0.284 11.103 14.418 917 HA ASP 115 HA ASP 115 -1.046 13.690 14.013 918 HB2 ASP 115 HB2 ASP 115 -0.582 12.620 11.818 919 HB3 ASP 115 HB3 ASP 115 -1.491 11.211 12.338 920 H1 GLY 242 H1 GLY 242 -1.389 -14.082 -22.579 921 H2 GLY 242 H2 GLY 242 -1.176 -14.982 -21.164 922 H3 GLY 242 H3 GLY 242 -1.029 -15.731 -22.670 923 HA2 GLY 242 HA2 GLY 242 0.920 -14.406 -23.177 924 HA3 GLY 242 HA3 GLY 242 0.766 -13.624 -21.611 925 H GLY 243 H GLY 243 2.058 -14.396 -20.101 926 HA2 GLY 243 HA3 GLY 243 3.549 -16.800 -20.465 927 HA3 GLY 243 HA2 GLY 243 3.547 -15.783 -19.031 928 H GLY 244 H GLY 244 2.940 -18.798 -20.037 929 HA2 GLY 244 HA3 GLY 244 2.057 -20.541 -18.757 930 HA3 GLY 244 HA2 GLY 244 1.247 -19.355 -17.742 931 H GLY 245 H GLY 245 -0.816 -18.706 -18.226 932 HA2 GLY 245 HA3 GLY 245 -2.810 -18.584 -19.409 933 HA3 GLY 245 HA2 GLY 245 -2.026 -19.395 -20.757 934 H TYR 246 H TYR 246 -1.469 -21.088 -17.944 935 HA TYR 246 HA TYR 246 -3.360 -23.151 -18.777 936 HB2 TYR 246 HB3 TYR 246 -1.262 -23.365 -16.613 937 HB3 TYR 246 HB2 TYR 246 -2.037 -24.674 -17.501 938 HD1 TYR 246 HD1 TYR 246 -1.728 -24.315 -20.204 939 HD2 TYR 246 HD2 TYR 246 0.942 -23.008 -17.162 940 HE1 TYR 246 HE1 TYR 246 0.120 -24.338 -21.824 941 HE2 TYR 246 HE2 TYR 246 2.796 -23.024 -18.775 942 HH TYR 246 HH TYR 246 2.302 -23.339 -22.142 943 H ASP 247 H ASP 247 -4.541 -20.935 -17.654 944 HA ASP 247 HA ASP 247 -5.299 -21.824 -14.959 945 HB2 ASP 247 HB2 ASP 247 -4.994 -18.964 -15.899 946 HB3 ASP 247 HB3 ASP 247 -5.485 -19.477 -14.292 947 H VAL 248 H VAL 248 -7.428 -22.084 -14.681 948 HA VAL 248 HA VAL 248 -9.299 -20.960 -16.620 949 HB VAL 248 HB VAL 248 -9.615 -23.294 -15.773 950 HG11 VAL 248 HG21 VAL 248 -10.207 -21.924 -13.155 951 HG12 VAL 248 HG22 VAL 248 -8.869 -23.021 -13.494 952 HG13 VAL 248 HG23 VAL 248 -10.526 -23.622 -13.510 953 HG21 VAL 248 HG13 VAL 248 -12.026 -23.113 -15.354 954 HG22 VAL 248 HG11 VAL 248 -11.509 -22.086 -16.690 955 HG23 VAL 248 HG12 VAL 248 -11.845 -21.376 -15.112 956 H GLU 249 H GLU 249 -7.608 -19.916 -14.136 957 HA GLU 249 HA GLU 249 -9.580 -17.919 -13.292 958 HB2 GLU 249 HB2 GLU 249 -9.452 -19.665 -11.556 959 HB3 GLU 249 HB3 GLU 249 -7.709 -19.469 -11.484 960 HG2 GLU 249 HG3 GLU 249 -8.089 -17.110 -10.759 961 HG3 GLU 249 HG2 GLU 249 -9.807 -17.494 -10.646 962 H MET 250 H MET 250 -8.750 -15.997 -13.860 963 HA MET 250 HA MET 250 -5.816 -15.741 -13.994 964 HB2 MET 250 HB3 MET 250 -7.958 -14.237 -15.505 965 HB3 MET 250 HB2 MET 250 -6.241 -13.874 -15.592 966 HG2 MET 250 HG3 MET 250 -7.546 -16.451 -16.431 967 HG3 MET 250 HG2 MET 250 -6.982 -15.174 -17.507 968 HE1 MET 250 HE1 MET 250 -5.514 -16.856 -18.916 969 HE2 MET 250 HE2 MET 250 -6.151 -18.158 -17.912 970 HE3 MET 250 HE3 MET 250 -4.414 -18.028 -18.191 971 H GLU 251 H GLU 251 -8.392 -15.019 -12.201 972 HA GLU 251 HA GLU 251 -8.029 -12.297 -11.551 973 HB2 GLU 251 HB2 GLU 251 -9.474 -14.606 -10.285 974 HB3 GLU 251 HB3 GLU 251 -9.466 -13.015 -9.552 975 HG2 GLU 251 HG3 GLU 251 -11.490 -13.356 -10.833 976 HG3 GLU 251 HG2 GLU 251 -10.510 -12.086 -11.562 977 H SER 252 H SER 252 -6.828 -11.357 -10.022 978 HA SER 252 HA SER 252 -5.189 -13.096 -8.298 979 HB2 SER 252 HB3 SER 252 -3.415 -11.248 -8.564 980 HB3 SER 252 HB2 SER 252 -3.665 -12.330 -9.935 981 HG SER 252 HG SER 252 -4.569 -10.745 -11.058 982 H GLU 253 H GLU 253 -5.615 -9.581 -8.624 983 HA GLU 253 HA GLU 253 -5.904 -9.295 -5.781 984 HB2 GLU 253 HB2 GLU 253 -6.095 -6.900 -6.235 985 HB3 GLU 253 HB3 GLU 253 -4.704 -7.600 -7.058 986 HG2 GLU 253 HG3 GLU 253 -6.137 -7.817 -9.071 987 HG3 GLU 253 HG2 GLU 253 -7.353 -6.854 -8.242 988 H GLU 254 H GLU 254 -7.935 -9.915 -8.375 989 HA GLU 254 HA GLU 254 -10.309 -8.617 -7.589 990 HB2 GLU 254 HB2 GLU 254 -9.858 -11.112 -9.225 991 HB3 GLU 254 HB3 GLU 254 -11.429 -10.363 -9.019 992 HG2 GLU 254 HG3 GLU 254 -10.526 -9.719 -11.121 993 HG3 GLU 254 HG2 GLU 254 -10.560 -8.313 -10.064 994 H GLU 255 H GLU 255 -8.696 -11.414 -6.408 995 HA GLU 255 HA GLU 255 -10.929 -12.668 -5.161 996 HB2 GLU 255 HB2 GLU 255 -7.991 -12.856 -4.497 997 HB3 GLU 255 HB3 GLU 255 -9.241 -13.949 -3.924 998 HG2 GLU 255 HG3 GLU 255 -9.680 -14.647 -6.227 999 HG3 GLU 255 HG2 GLU 255 -8.413 -13.558 -6.792 1000 H SER 256 H SER 256 -8.958 -9.971 -4.438 1001 HA SER 256 HA SER 256 -9.705 -9.865 -1.636 1002 HB2 SER 256 HB3 SER 256 -8.147 -7.945 -3.384 1003 HB3 SER 256 HB2 SER 256 -8.392 -7.753 -1.650 1004 HG SER 256 HG SER 256 -6.596 -8.847 -1.571 1005 H ASP 257 H ASP 257 -11.528 -8.959 -0.966 1006 HA ASP 257 HA ASP 257 -13.188 -7.455 -2.799 1007 HB2 ASP 257 HB2 ASP 257 -13.617 -8.289 0.078 1008 HB3 ASP 257 HB3 ASP 257 -14.807 -7.428 -0.889 1009 H ASP 258 H ASP 258 -12.151 -6.876 0.551 1010 HA ASP 258 HA ASP 258 -12.279 -4.015 0.128 1011 HB2 ASP 258 HB2 ASP 258 -11.646 -5.710 2.538 1012 HB3 ASP 258 HB3 ASP 258 -11.495 -3.956 2.553 1013 H ASP 259 H ASP 259 -9.816 -6.209 1.390 1014 HA ASP 259 HA ASP 259 -7.840 -5.038 -0.386 1015 HB2 ASP 259 HB2 ASP 259 -7.687 -4.813 2.599 1016 HB3 ASP 259 HB3 ASP 259 -6.207 -5.017 1.670 1017 H GLY 260 H GLY 260 -8.647 -7.430 2.074 1018 HA2 GLY 260 HA3 GLY 260 -8.251 -9.722 2.006 1019 HA3 GLY 260 HA2 GLY 260 -7.343 -9.489 0.516 1020 H PHE 261 H PHE 261 -6.130 -7.259 2.411 1021 HA PHE 261 HA PHE 261 -3.876 -8.908 3.239 1022 HB2 PHE 261 HB3 PHE 261 -4.019 -5.909 2.987 1023 HB3 PHE 261 HB2 PHE 261 -2.569 -6.896 3.118 1024 HD1 PHE 261 HD2 PHE 261 -3.242 -9.026 1.136 1025 HD2 PHE 261 HD1 PHE 261 -3.708 -4.805 0.975 1026 HE1 PHE 261 HE2 PHE 261 -3.112 -9.109 -1.317 1027 HE2 PHE 261 HE1 PHE 261 -3.586 -4.880 -1.473 1028 HZ PHE 261 HZ PHE 261 -3.283 -7.033 -2.627 1029 H VAL 262 H VAL 262 -2.693 -7.701 5.213 1030 HA VAL 262 HA VAL 262 -4.704 -6.738 7.122 1031 HB VAL 262 HB VAL 262 -4.230 -9.148 7.581 1032 HG11 VAL 262 HG21 VAL 262 -2.074 -9.771 8.558 1033 HG12 VAL 262 HG22 VAL 262 -1.453 -8.158 8.209 1034 HG13 VAL 262 HG23 VAL 262 -1.904 -9.235 6.887 1035 HG21 VAL 262 HG13 VAL 262 -4.995 -7.675 9.356 1036 HG22 VAL 262 HG11 VAL 262 -3.329 -7.212 9.708 1037 HG23 VAL 262 HG12 VAL 262 -3.861 -8.872 9.985 1038 H GLU 263 H GLU 263 -4.037 -5.064 8.383 1039 HA GLU 263 HA GLU 263 -1.400 -3.945 7.897 1040 HB2 GLU 263 HB2 GLU 263 -3.571 -2.584 8.096 1041 HB3 GLU 263 HB3 GLU 263 -3.486 -2.904 9.821 1042 HG2 GLU 263 HG3 GLU 263 -1.143 -1.889 9.712 1043 HG3 GLU 263 HG2 GLU 263 -1.616 -1.294 8.119 1044 H VAL 264 H VAL 264 0.302 -4.399 9.169 1045 HA VAL 264 HA VAL 264 -0.242 -5.809 11.693 1046 HB VAL 264 HB VAL 264 2.320 -5.736 10.078 1047 HG11 VAL 264 HG21 VAL 264 2.746 -6.114 12.439 1048 HG12 VAL 264 HG22 VAL 264 3.011 -7.603 11.531 1049 HG13 VAL 264 HG23 VAL 264 1.535 -7.395 12.472 1050 HG21 VAL 264 HG13 VAL 264 0.242 -7.914 10.312 1051 HG22 VAL 264 HG11 VAL 264 1.773 -8.034 9.444 1052 HG23 VAL 264 HG12 VAL 264 0.532 -6.909 8.893 1053 H ASP 265 H ASP 265 -0.392 -4.284 13.238 1054 HA ASP 265 HA ASP 265 1.952 -2.737 13.877 1055 HB2 ASP 265 HB2 ASP 265 0.832 -1.257 12.273 1056 HB3 ASP 265 HB3 ASP 265 -0.640 -1.337 13.215 Start of MODEL 15 1 H2 PRO 1 H2 PRO 1 15.452 -6.331 -1.432 2 H3 PRO 1 H3 PRO 1 16.166 -4.971 -0.870 3 HA PRO 1 HA PRO 1 15.698 -7.427 0.375 4 HB2 PRO 1 HB3 PRO 1 18.058 -6.547 1.650 5 HB3 PRO 1 HB2 PRO 1 17.811 -8.069 0.785 6 HG2 PRO 1 HG3 PRO 1 18.983 -5.515 -0.180 7 HG3 PRO 1 HG2 PRO 1 19.368 -7.180 -0.651 8 HD2 PRO 1 HD2 PRO 1 17.974 -5.613 -2.285 9 HD3 PRO 1 HD3 PRO 1 17.545 -7.324 -2.103 10 H SER 2 H SER 2 14.842 -7.003 2.327 11 HA SER 2 HA SER 2 13.757 -5.875 3.937 12 HB2 SER 2 HB3 SER 2 15.102 -4.379 5.330 13 HB3 SER 2 HB2 SER 2 15.996 -5.820 4.889 14 HG SER 2 HG SER 2 17.353 -4.656 3.744 15 H HIS 3 H HIS 3 15.507 -3.020 2.821 16 HA HIS 3 HA HIS 3 12.989 -1.540 2.814 17 HB2 HIS 3 HB3 HIS 3 15.855 -0.594 2.511 18 HB3 HIS 3 HB2 HIS 3 14.449 0.456 2.628 19 HD1 HIS 3 HD1 HIS 3 16.346 -2.092 4.717 20 HD2 HIS 3 HD2 HIS 3 13.757 1.132 5.177 21 HE1 HIS 3 HE1 HIS 3 16.200 -1.687 7.195 22 HE2 HIS 3 HE2 HIS 3 14.682 0.312 7.450 23 H SER 4 H SER 4 13.912 -3.481 0.722 24 HA SER 4 HA SER 4 13.075 -2.021 -1.593 25 HB2 SER 4 HB3 SER 4 15.125 -2.403 -2.928 26 HB3 SER 4 HB2 SER 4 15.413 -1.315 -1.572 27 HG SER 4 HG SER 4 16.650 -2.763 -0.622 28 H GLY 5 H GLY 5 12.529 -3.437 -3.315 29 HA2 GLY 5 HA3 GLY 5 13.182 -6.175 -3.437 30 HA3 GLY 5 HA2 GLY 5 11.651 -5.992 -2.590 31 H ALA 6 H ALA 6 12.217 -7.181 -5.253 32 HA ALA 6 HA ALA 6 11.316 -5.242 -7.171 33 HB1 ALA 6 HB1 ALA 6 11.478 -6.994 -8.807 34 HB2 ALA 6 HB2 ALA 6 11.666 -8.208 -7.537 35 HB3 ALA 6 HB3 ALA 6 12.916 -6.986 -7.786 36 H ALA 7 H ALA 7 9.221 -4.721 -7.507 37 HA ALA 7 HA ALA 7 7.147 -6.713 -6.836 38 HB1 ALA 7 HB1 ALA 7 5.662 -4.895 -6.142 39 HB2 ALA 7 HB2 ALA 7 6.948 -3.726 -6.452 40 HB3 ALA 7 HB3 ALA 7 7.138 -4.923 -5.172 41 H ILE 8 H ILE 8 5.169 -6.524 -7.975 42 HA ILE 8 HA ILE 8 5.473 -5.566 -10.739 43 HB ILE 8 HB ILE 8 3.482 -7.474 -9.478 44 HG12 ILE 8 HG13 ILE 8 4.501 -9.084 -11.168 45 HG13 ILE 8 HG12 ILE 8 5.784 -7.904 -11.379 46 HG21 ILE 8 HG21 ILE 8 2.418 -6.128 -11.202 47 HG22 ILE 8 HG22 ILE 8 2.566 -7.815 -11.698 48 HG23 ILE 8 HG23 ILE 8 3.669 -6.604 -12.350 49 HD11 ILE 8 HD11 ILE 8 6.453 -9.654 -9.848 50 HD12 ILE 8 HD12 ILE 8 5.069 -9.304 -8.815 51 HD13 ILE 8 HD13 ILE 8 6.351 -8.107 -9.010 52 H PHE 9 H PHE 9 4.378 -3.884 -11.441 53 HA PHE 9 HA PHE 9 2.028 -2.990 -9.970 54 HB2 PHE 9 HB3 PHE 9 3.838 -1.695 -9.030 55 HB3 PHE 9 HB2 PHE 9 4.434 -1.290 -10.633 56 HD1 PHE 9 HD1 PHE 9 1.561 -0.809 -8.341 57 HD2 PHE 9 HD2 PHE 9 3.724 0.639 -11.706 58 HE1 PHE 9 HE1 PHE 9 0.256 1.270 -8.289 59 HE2 PHE 9 HE2 PHE 9 2.413 2.717 -11.662 60 HZ PHE 9 HZ PHE 9 0.677 3.034 -9.948 61 H GLU 10 H GLU 10 0.461 -2.970 -11.417 62 HA GLU 10 HA GLU 10 -0.739 -2.695 -13.307 63 HB2 GLU 10 HB2 GLU 10 1.582 -0.990 -14.234 64 HB3 GLU 10 HB3 GLU 10 0.033 -1.128 -15.050 65 HG2 GLU 10 HG3 GLU 10 -1.036 -0.273 -12.959 66 HG3 GLU 10 HG2 GLU 10 0.584 0.068 -12.355 67 H LYS 11 H LYS 11 0.703 -4.912 -12.936 68 HA LYS 11 HA LYS 11 0.967 -6.870 -14.015 69 HB2 LYS 11 HB2 LYS 11 0.373 -5.392 -16.563 70 HB3 LYS 11 HB3 LYS 11 0.324 -7.134 -16.323 71 HG2 LYS 11 HG2 LYS 11 -1.405 -5.158 -14.902 72 HG3 LYS 11 HG3 LYS 11 -1.918 -6.086 -16.299 73 HD2 LYS 11 HD2 LYS 11 -2.723 -7.478 -14.712 74 HD3 LYS 11 HD3 LYS 11 -1.055 -8.025 -14.642 75 HE2 LYS 11 HE2 LYS 11 -0.566 -6.602 -12.811 76 HE3 LYS 11 HE3 LYS 11 -2.122 -5.803 -12.969 77 HZ1 LYS 11 HZ1 LYS 11 -2.093 -7.382 -11.133 78 HZ2 LYS 11 HZ2 LYS 11 -1.705 -8.640 -12.195 79 HZ3 LYS 11 HZ3 LYS 11 -3.203 -7.864 -12.314 80 H VAL 12 H VAL 12 3.024 -4.370 -14.288 81 HA VAL 12 HA VAL 12 4.972 -5.952 -15.812 82 HB VAL 12 HB VAL 12 5.021 -3.879 -16.865 83 HG11 VAL 12 HG21 VAL 12 4.772 -2.567 -14.166 84 HG12 VAL 12 HG22 VAL 12 3.507 -2.703 -15.389 85 HG13 VAL 12 HG23 VAL 12 4.938 -1.720 -15.705 86 HG21 VAL 12 HG13 VAL 12 7.274 -4.421 -16.279 87 HG22 VAL 12 HG11 VAL 12 7.064 -3.761 -14.652 88 HG23 VAL 12 HG12 VAL 12 7.065 -2.682 -16.055 89 H SER 13 H SER 13 6.671 -6.818 -14.816 90 HA SER 13 HA SER 13 6.905 -6.568 -11.967 91 HB2 SER 13 HB3 SER 13 7.276 -8.730 -13.131 92 HB3 SER 13 HB2 SER 13 8.690 -8.040 -13.923 93 HG SER 13 HG SER 13 8.472 -9.115 -11.465 94 H GLY 14 H GLY 14 7.936 -5.018 -11.004 95 HA2 GLY 14 HA3 GLY 14 10.335 -3.897 -12.250 96 HA3 GLY 14 HA2 GLY 14 9.107 -2.843 -11.571 97 H ILE 15 H ILE 15 10.624 -1.988 -10.080 98 HA ILE 15 HA ILE 15 11.263 -3.828 -7.919 99 HB ILE 15 HB ILE 15 13.034 -1.542 -8.638 100 HG12 ILE 15 HG13 ILE 15 12.863 -3.146 -10.539 101 HG13 ILE 15 HG12 ILE 15 14.463 -2.992 -9.862 102 HG21 ILE 15 HG21 ILE 15 13.293 -2.395 -6.393 103 HG22 ILE 15 HG22 ILE 15 14.706 -2.811 -7.363 104 HG23 ILE 15 HG23 ILE 15 13.485 -4.034 -7.017 105 HD11 ILE 15 HD11 ILE 15 12.560 -5.238 -9.350 106 HD12 ILE 15 HD12 ILE 15 14.205 -5.100 -8.725 107 HD13 ILE 15 HD13 ILE 15 13.929 -5.265 -10.463 108 H ILE 16 H ILE 16 11.381 -2.927 -5.850 109 HA ILE 16 HA ILE 16 10.088 -0.302 -5.553 110 HB ILE 16 HB ILE 16 9.125 -2.862 -4.684 111 HG12 ILE 16 HG13 ILE 16 8.086 -0.074 -4.184 112 HG13 ILE 16 HG12 ILE 16 7.835 -0.990 -5.664 113 HG21 ILE 16 HG21 ILE 16 10.369 -2.519 -2.616 114 HG22 ILE 16 HG22 ILE 16 8.638 -2.346 -2.324 115 HG23 ILE 16 HG23 ILE 16 9.660 -0.912 -2.435 116 HD11 ILE 16 HD11 ILE 16 6.869 -1.779 -2.927 117 HD12 ILE 16 HD12 ILE 16 6.589 -2.670 -4.422 118 HD13 ILE 16 HD13 ILE 16 5.885 -1.067 -4.206 119 H ALA 17 H ALA 17 11.159 1.056 -4.275 120 HA ALA 17 HA ALA 17 13.008 -0.068 -2.299 121 HB1 ALA 17 HB1 ALA 17 13.680 2.050 -4.327 122 HB2 ALA 17 HB2 ALA 17 14.430 0.460 -4.105 123 HB3 ALA 17 HB3 ALA 17 14.652 1.715 -2.888 124 H ILE 18 H ILE 18 12.226 0.581 -0.420 125 HA ILE 18 HA ILE 18 11.072 3.191 -0.029 126 HB ILE 18 HB ILE 18 11.954 1.274 2.123 127 HG12 ILE 18 HG13 ILE 18 9.307 0.944 2.154 128 HG13 ILE 18 HG12 ILE 18 9.493 1.296 0.440 129 HG21 ILE 18 HG21 ILE 18 11.612 3.645 2.767 130 HG22 ILE 18 HG22 ILE 18 10.464 2.539 3.544 131 HG23 ILE 18 HG23 ILE 18 9.946 3.529 2.179 132 HD11 ILE 18 HD11 ILE 18 10.940 -0.875 1.918 133 HD12 ILE 18 HD12 ILE 18 11.017 -0.542 0.187 134 HD13 ILE 18 HD13 ILE 18 9.510 -1.088 0.914 135 H ASN 19 H ASN 19 12.414 4.887 0.094 136 HA ASN 19 HA ASN 19 15.056 4.483 1.322 137 HB2 ASN 19 HB2 ASN 19 15.664 4.851 -0.874 138 HB3 ASN 19 HB3 ASN 19 14.254 5.850 -1.201 139 HD21 ASN 19 HD21 ASN 19 14.326 8.011 -0.826 140 HD22 ASN 19 HD22 ASN 19 15.786 8.860 -0.444 141 H GLU 20 H GLU 20 15.416 5.706 3.112 142 HA GLU 20 HA GLU 20 13.933 8.243 3.080 143 HB2 GLU 20 HB2 GLU 20 15.527 7.243 5.425 144 HB3 GLU 20 HB3 GLU 20 14.185 8.368 5.409 145 HG2 GLU 20 HG3 GLU 20 12.607 6.662 5.164 146 HG3 GLU 20 HG2 GLU 20 13.844 5.488 4.727 147 H ASP 21 H ASP 21 15.655 8.782 1.408 148 HA ASP 21 HA ASP 21 17.689 10.322 2.878 149 HB2 ASP 21 HB2 ASP 21 18.762 8.956 1.159 150 HB3 ASP 21 HB3 ASP 21 17.607 9.506 -0.044 151 H VAL 22 H VAL 22 14.747 10.149 1.712 152 HA VAL 22 HA VAL 22 14.720 12.493 -0.038 153 HB VAL 22 HB VAL 22 14.102 10.214 -0.835 154 HG11 VAL 22 HG21 VAL 22 11.635 10.416 0.845 155 HG12 VAL 22 HG22 VAL 22 13.087 9.572 1.373 156 HG13 VAL 22 HG23 VAL 22 12.234 9.033 -0.070 157 HG21 VAL 22 HG13 VAL 22 13.156 11.932 -2.146 158 HG22 VAL 22 HG11 VAL 22 11.926 12.278 -0.927 159 HG23 VAL 22 HG12 VAL 22 11.861 10.763 -1.830 160 H SER 23 H SER 23 12.469 13.572 -0.089 161 HA SER 23 HA SER 23 11.522 14.691 2.263 162 HB2 SER 23 HB3 SER 23 9.295 14.524 0.615 163 HB3 SER 23 HB2 SER 23 10.511 15.798 0.554 164 HG SER 23 HG SER 23 10.301 13.444 -1.015 165 HA PRO 24 HA PRO 24 9.560 12.167 4.963 166 HB2 PRO 24 HB3 PRO 24 6.837 11.808 4.401 167 HB3 PRO 24 HB2 PRO 24 7.511 13.091 5.411 168 HG2 PRO 24 HG3 PRO 24 6.838 13.135 2.482 169 HG3 PRO 24 HG2 PRO 24 6.456 14.344 3.717 170 HD2 PRO 24 HD2 PRO 24 8.476 14.825 2.149 171 HD3 PRO 24 HD3 PRO 24 8.764 14.990 3.896 172 H ALA 25 H ALA 25 9.701 9.983 5.135 173 HA ALA 25 HA ALA 25 11.072 8.858 3.194 174 HB1 ALA 25 HB1 ALA 25 10.921 6.747 4.165 175 HB2 ALA 25 HB2 ALA 25 9.324 7.082 4.836 176 HB3 ALA 25 HB3 ALA 25 10.741 7.914 5.478 177 H GLU 26 H GLU 26 10.928 7.717 1.414 178 HA GLU 26 HA GLU 26 8.279 7.520 0.282 179 HB2 GLU 26 HB2 GLU 26 10.660 8.909 -0.953 180 HB3 GLU 26 HB3 GLU 26 9.335 8.294 -1.934 181 HG2 GLU 26 HG3 GLU 26 7.769 9.694 -0.671 182 HG3 GLU 26 HG2 GLU 26 9.109 10.328 0.275 183 H LEU 27 H LEU 27 7.899 5.907 -1.089 184 HA LEU 27 HA LEU 27 9.936 3.786 -1.371 185 HB2 LEU 27 HB2 LEU 27 7.892 2.983 -0.430 186 HB3 LEU 27 HB3 LEU 27 6.922 3.907 -1.545 187 HG LEU 27 HG LEU 27 8.613 1.571 -2.449 188 HD11 LEU 27 HD11 LEU 27 7.033 0.878 -0.704 189 HD12 LEU 27 HD12 LEU 27 6.619 0.223 -2.289 190 HD13 LEU 27 HD13 LEU 27 5.719 1.598 -1.641 191 HD21 LEU 27 HD21 LEU 27 7.107 1.523 -4.348 192 HD22 LEU 27 HD22 LEU 27 7.791 3.139 -4.199 193 HD23 LEU 27 HD23 LEU 27 6.141 2.830 -3.660 194 H THR 28 H THR 28 10.482 3.125 -3.466 195 HA THR 28 HA THR 28 9.318 4.762 -5.604 196 HB THR 28 HB THR 28 12.249 4.075 -5.471 197 HG1 THR 28 HG1 THR 28 11.053 5.783 -3.940 198 HG21 THR 28 HG21 THR 28 10.581 5.898 -7.192 199 HG22 THR 28 HG22 THR 28 11.476 4.458 -7.700 200 HG23 THR 28 HG23 THR 28 12.349 5.899 -7.177 201 H TRP 29 H TRP 29 8.195 3.358 -6.776 202 HA TRP 29 HA TRP 29 9.291 0.717 -7.285 203 HB2 TRP 29 HB3 TRP 29 6.856 0.944 -6.960 204 HB3 TRP 29 HB2 TRP 29 6.776 1.984 -8.379 205 HD1 TRP 29 HD1 TRP 29 7.509 -1.685 -7.438 206 HE1 TRP 29 HE1 TRP 29 7.105 -3.153 -9.514 207 HE3 TRP 29 HE3 TRP 29 6.588 1.993 -10.856 208 HZ2 TRP 29 HZ2 TRP 29 6.488 -2.794 -12.234 209 HZ3 TRP 29 HZ3 TRP 29 6.095 1.340 -13.168 210 HH2 TRP 29 HH2 TRP 29 6.047 -0.998 -13.847 211 H ARG 30 H ARG 30 10.865 0.624 -8.631 212 HA ARG 30 HA ARG 30 10.787 2.239 -11.089 213 HB2 ARG 30 HB2 ARG 30 12.640 2.893 -9.684 214 HB3 ARG 30 HB3 ARG 30 13.111 1.215 -9.448 215 HG2 ARG 30 HG2 ARG 30 13.037 2.059 -12.236 216 HG3 ARG 30 HG3 ARG 30 14.221 2.914 -11.248 217 HD2 ARG 30 HD2 ARG 30 15.247 0.877 -10.587 218 HD3 ARG 30 HD3 ARG 30 13.966 -0.093 -11.308 219 HE ARG 30 HE ARG 30 15.209 1.546 -13.263 220 HH11 ARG 30 HH11 ARG 30 15.813 -1.327 -11.351 221 HH12 ARG 30 HH12 ARG 30 16.896 -2.028 -12.510 222 HH21 ARG 30 HH21 ARG 30 16.635 0.628 -14.788 223 HH22 ARG 30 HH22 ARG 30 17.344 -0.923 -14.477 224 H SER 31 H SER 31 10.409 1.058 -12.871 225 HA SER 31 HA SER 31 9.986 -1.687 -12.839 226 HB2 SER 31 HB3 SER 31 10.684 0.049 -15.220 227 HB3 SER 31 HB2 SER 31 9.929 -1.542 -15.294 228 HG SER 31 HG SER 31 8.776 0.577 -13.826 229 H THR 32 H THR 32 11.156 -3.438 -13.412 230 HA THR 32 HA THR 32 13.913 -3.494 -12.932 231 HB THR 32 HB THR 32 12.363 -5.527 -14.545 232 HG1 THR 32 HG1 THR 32 12.649 -5.314 -11.714 233 HG21 THR 32 HG21 THR 32 14.780 -5.774 -12.744 234 HG22 THR 32 HG22 THR 32 14.782 -5.886 -14.504 235 HG23 THR 32 HG23 THR 32 13.958 -7.114 -13.544 236 H ASP 33 H ASP 33 12.052 -3.028 -15.836 237 HA ASP 33 HA ASP 33 14.226 -3.230 -17.691 238 HB2 ASP 33 HB2 ASP 33 12.035 -3.668 -18.533 239 HB3 ASP 33 HB3 ASP 33 11.409 -2.159 -17.883 240 H GLY 34 H GLY 34 12.887 -0.747 -15.684 241 HA2 GLY 34 HA3 GLY 34 14.126 1.212 -15.143 242 HA3 GLY 34 HA2 GLY 34 14.871 1.143 -16.731 243 H ASP 35 H ASP 35 11.739 0.508 -17.307 244 HA ASP 35 HA ASP 35 11.336 3.010 -18.552 245 HB2 ASP 35 HB2 ASP 35 10.472 0.950 -19.509 246 HB3 ASP 35 HB3 ASP 35 9.395 0.769 -18.134 247 H LYS 36 H LYS 36 8.982 1.508 -16.371 248 HA LYS 36 HA LYS 36 7.990 4.137 -15.704 249 HB2 LYS 36 HB2 LYS 36 7.050 1.351 -15.096 250 HB3 LYS 36 HB3 LYS 36 6.347 2.754 -14.300 251 HG2 LYS 36 HG2 LYS 36 5.347 3.511 -16.192 252 HG3 LYS 36 HG3 LYS 36 6.541 2.757 -17.244 253 HD2 LYS 36 HD2 LYS 36 4.449 1.577 -17.484 254 HD3 LYS 36 HD3 LYS 36 5.584 0.530 -16.626 255 HE2 LYS 36 HE2 LYS 36 3.408 0.410 -15.582 256 HE3 LYS 36 HE3 LYS 36 4.546 1.197 -14.494 257 HZ1 LYS 36 HZ1 LYS 36 2.635 2.651 -16.232 258 HZ2 LYS 36 HZ2 LYS 36 3.622 3.316 -15.032 259 HZ3 LYS 36 HZ3 LYS 36 2.345 2.287 -14.604 260 H VAL 37 H VAL 37 7.967 5.097 -13.802 261 HA VAL 37 HA VAL 37 9.204 3.785 -11.479 262 HB VAL 37 HB VAL 37 9.959 6.582 -12.378 263 HG11 VAL 37 HG21 VAL 37 9.861 6.346 -9.949 264 HG12 VAL 37 HG22 VAL 37 11.525 6.532 -10.502 265 HG13 VAL 37 HG23 VAL 37 10.925 4.940 -10.038 266 HG21 VAL 37 HG13 VAL 37 12.209 5.678 -12.713 267 HG22 VAL 37 HG11 VAL 37 11.037 4.886 -13.767 268 HG23 VAL 37 HG12 VAL 37 11.622 4.061 -12.319 269 H HIS 38 H HIS 38 7.800 3.900 -9.875 270 HA HIS 38 HA HIS 38 5.963 6.203 -9.723 271 HB2 HIS 38 HB3 HIS 38 5.042 3.913 -10.495 272 HB3 HIS 38 HB2 HIS 38 5.255 3.449 -8.811 273 HD1 HIS 38 HD1 HIS 38 3.119 5.481 -11.071 274 HD2 HIS 38 HD2 HIS 38 3.464 4.717 -6.997 275 HE1 HIS 38 HE1 HIS 38 1.001 6.348 -10.041 276 HE2 HIS 38 HE2 HIS 38 1.273 5.978 -7.568 277 H THR 39 H THR 39 6.551 7.360 -7.972 278 HA THR 39 HA THR 39 7.756 5.950 -5.712 279 HB THR 39 HB THR 39 7.587 8.935 -6.202 280 HG1 THR 39 HG1 THR 39 9.064 8.489 -7.666 281 HG21 THR 39 HG21 THR 39 9.408 7.352 -4.391 282 HG22 THR 39 HG22 THR 39 7.944 8.177 -3.850 283 HG23 THR 39 HG23 THR 39 9.289 9.108 -4.512 284 H VAL 40 H VAL 40 6.844 5.915 -3.670 285 HA VAL 40 HA VAL 40 4.201 7.195 -3.315 286 HB VAL 40 HB VAL 40 5.369 4.663 -2.178 287 HG11 VAL 40 HG21 VAL 40 3.283 4.491 -0.828 288 HG12 VAL 40 HG22 VAL 40 2.961 6.180 -1.221 289 HG13 VAL 40 HG23 VAL 40 4.397 5.749 -0.296 290 HG21 VAL 40 HG13 VAL 40 4.078 4.794 -4.399 291 HG22 VAL 40 HG11 VAL 40 2.656 5.010 -3.371 292 HG23 VAL 40 HG12 VAL 40 3.642 3.545 -3.227 293 H VAL 41 H VAL 41 4.035 8.752 -1.756 294 HA VAL 41 HA VAL 41 6.220 9.125 0.127 295 HB VAL 41 HB VAL 41 3.744 10.833 -0.156 296 HG11 VAL 41 HG21 VAL 41 4.875 11.118 1.970 297 HG12 VAL 41 HG22 VAL 41 5.149 12.544 0.970 298 HG13 VAL 41 HG23 VAL 41 6.421 11.337 1.154 299 HG21 VAL 41 HG13 VAL 41 5.117 12.363 -1.488 300 HG22 VAL 41 HG11 VAL 41 4.953 10.792 -2.273 301 HG23 VAL 41 HG12 VAL 41 6.451 11.209 -1.438 302 H LEU 42 H LEU 42 6.148 7.912 1.803 303 HA LEU 42 HA LEU 42 4.024 6.492 2.853 304 HB2 LEU 42 HB2 LEU 42 6.633 7.371 4.027 305 HB3 LEU 42 HB3 LEU 42 5.465 6.467 4.978 306 HG LEU 42 HG LEU 42 7.377 5.172 3.848 307 HD11 LEU 42 HD11 LEU 42 5.437 4.159 4.930 308 HD12 LEU 42 HD12 LEU 42 5.916 3.261 3.496 309 HD13 LEU 42 HD13 LEU 42 4.514 4.324 3.436 310 HD21 LEU 42 HD21 LEU 42 5.588 5.587 1.459 311 HD22 LEU 42 HD22 LEU 42 6.862 4.373 1.572 312 HD23 LEU 42 HD23 LEU 42 7.275 6.089 1.625 313 H SER 43 H SER 43 4.955 9.801 3.495 314 HA SER 43 HA SER 43 3.414 10.030 5.896 315 HB2 SER 43 HB3 SER 43 5.279 11.524 5.551 316 HB3 SER 43 HB2 SER 43 4.554 12.142 4.073 317 HG SER 43 HG SER 43 3.069 12.312 6.436 318 H THR 44 H THR 44 2.811 10.569 2.470 319 HA THR 44 HA THR 44 0.177 11.649 2.930 320 HB THR 44 HB THR 44 -0.149 11.445 0.502 321 HG1 THR 44 HG1 THR 44 1.966 9.717 0.734 322 HG21 THR 44 HG21 THR 44 0.984 13.428 1.349 323 HG22 THR 44 HG22 THR 44 1.631 12.969 -0.226 324 HG23 THR 44 HG23 THR 44 2.538 12.600 1.241 325 H ILE 45 H ILE 45 1.594 8.638 3.012 326 HA ILE 45 HA ILE 45 -0.737 7.086 2.404 327 HB ILE 45 HB ILE 45 1.890 6.309 3.654 328 HG12 ILE 45 HG13 ILE 45 2.089 7.129 1.339 329 HG13 ILE 45 HG12 ILE 45 2.457 5.422 1.466 330 HG21 ILE 45 HG21 ILE 45 -0.269 4.554 2.514 331 HG22 ILE 45 HG22 ILE 45 0.031 4.807 4.233 332 HG23 ILE 45 HG23 ILE 45 1.253 4.032 3.230 333 HD11 ILE 45 HD11 ILE 45 0.138 4.934 0.658 334 HD12 ILE 45 HD12 ILE 45 1.171 5.755 -0.515 335 HD13 ILE 45 HD13 ILE 45 -0.058 6.664 0.372 336 H ASP 46 H ASP 46 -2.317 6.735 3.746 337 HA ASP 46 HA ASP 46 -2.273 7.436 6.510 338 HB2 ASP 46 HB2 ASP 46 -4.346 7.706 5.448 339 HB3 ASP 46 HB3 ASP 46 -4.259 6.140 4.663 340 H LYS 47 H LYS 47 -2.353 4.381 4.687 341 HA LYS 47 HA LYS 47 -1.263 2.975 6.999 342 HB2 LYS 47 HB2 LYS 47 -4.011 2.913 6.444 343 HB3 LYS 47 HB3 LYS 47 -3.388 1.373 5.842 344 HG2 LYS 47 HG2 LYS 47 -4.070 1.080 8.115 345 HG3 LYS 47 HG3 LYS 47 -2.306 1.064 8.084 346 HD2 LYS 47 HD2 LYS 47 -2.400 3.524 8.641 347 HD3 LYS 47 HD3 LYS 47 -4.119 3.296 8.940 348 HE2 LYS 47 HE2 LYS 47 -1.901 1.828 10.331 349 HE3 LYS 47 HE3 LYS 47 -2.777 3.200 10.999 350 HZ1 LYS 47 HZ1 LYS 47 -3.826 0.495 10.384 351 HZ2 LYS 47 HZ2 LYS 47 -4.831 1.818 10.729 352 HZ3 LYS 47 HZ3 LYS 47 -3.740 1.264 11.893 353 H LEU 48 H LEU 48 -0.577 0.750 6.430 354 HA LEU 48 HA LEU 48 -0.308 0.340 3.529 355 HB2 LEU 48 HB2 LEU 48 1.892 0.814 4.165 356 HB3 LEU 48 HB3 LEU 48 1.706 -0.025 5.700 357 HG LEU 48 HG LEU 48 1.542 -2.168 4.389 358 HD11 LEU 48 HD11 LEU 48 1.122 -0.817 2.219 359 HD12 LEU 48 HD12 LEU 48 2.124 -2.267 2.164 360 HD13 LEU 48 HD13 LEU 48 2.882 -0.678 2.193 361 HD21 LEU 48 HD21 LEU 48 3.744 -0.613 5.186 362 HD22 LEU 48 HD22 LEU 48 4.163 -1.401 3.664 363 HD23 LEU 48 HD23 LEU 48 3.631 -2.372 5.035 364 H GLN 49 H GLN 49 -0.496 -1.734 2.826 365 HA GLN 49 HA GLN 49 -1.509 -3.745 4.725 366 HB2 GLN 49 HB2 GLN 49 -2.469 -3.131 1.945 367 HB3 GLN 49 HB3 GLN 49 -2.922 -4.571 2.829 368 HG2 GLN 49 HG2 GLN 49 -3.500 -1.771 3.755 369 HG3 GLN 49 HG3 GLN 49 -4.640 -2.795 2.885 370 HE21 GLN 49 HE21 GLN 49 -5.462 -4.664 3.918 371 HE22 GLN 49 HE22 GLN 49 -5.431 -4.808 5.644 372 H ALA 50 H ALA 50 -1.242 -5.927 4.009 373 HA ALA 50 HA ALA 50 0.456 -6.607 1.817 374 HB1 ALA 50 HB1 ALA 50 2.389 -7.363 3.060 375 HB2 ALA 50 HB2 ALA 50 1.642 -6.883 4.582 376 HB3 ALA 50 HB3 ALA 50 2.116 -5.651 3.408 377 H THR 51 H THR 51 0.337 -8.814 1.386 378 HA THR 51 HA THR 51 -1.799 -10.343 2.371 379 HB THR 51 HB THR 51 -0.653 -12.294 1.331 380 HG1 THR 51 HG1 THR 51 1.522 -11.093 1.805 381 HG21 THR 51 HG21 THR 51 -2.027 -11.031 -0.127 382 HG22 THR 51 HG22 THR 51 -0.509 -11.317 -0.993 383 HG23 THR 51 HG23 THR 51 -0.825 -9.746 -0.253 384 HA PRO 52 HA PRO 52 -0.394 -11.721 6.356 385 HB2 PRO 52 HB3 PRO 52 -2.296 -13.670 6.597 386 HB3 PRO 52 HB2 PRO 52 -2.631 -11.958 6.852 387 HG2 PRO 52 HG3 PRO 52 -3.058 -13.623 4.405 388 HG3 PRO 52 HG2 PRO 52 -4.161 -12.499 5.184 389 HD2 PRO 52 HD2 PRO 52 -2.792 -11.787 3.038 390 HD3 PRO 52 HD3 PRO 52 -3.031 -10.642 4.367 391 H ALA 53 H ALA 53 0.371 -13.724 7.355 392 HA ALA 53 HA ALA 53 1.976 -15.347 5.742 393 HB1 ALA 53 HB1 ALA 53 2.357 -15.067 8.136 394 HB2 ALA 53 HB2 ALA 53 2.226 -16.775 7.715 395 HB3 ALA 53 HB3 ALA 53 0.871 -15.950 8.485 396 H SER 54 H SER 54 -1.370 -15.606 6.633 397 HA SER 54 HA SER 54 -1.737 -18.323 5.838 398 HB2 SER 54 HB3 SER 54 -3.749 -16.085 6.155 399 HB3 SER 54 HB2 SER 54 -4.130 -17.796 6.007 400 HG SER 54 HG SER 54 -3.625 -18.090 8.033 401 H SER 55 H SER 55 -1.631 -15.300 4.198 402 HA SER 55 HA SER 55 -3.153 -15.882 1.913 403 HB2 SER 55 HB3 SER 55 -2.510 -13.584 2.335 404 HB3 SER 55 HB2 SER 55 -0.807 -14.025 2.339 405 HG SER 55 HG SER 55 -0.775 -13.870 0.251 406 H GLU 56 H GLU 56 -2.711 -16.948 0.038 407 HA GLU 56 HA GLU 56 -0.307 -18.549 -0.102 408 HB2 GLU 56 HB2 GLU 56 -2.170 -18.286 -2.392 409 HB3 GLU 56 HB3 GLU 56 -1.304 -19.699 -1.825 410 HG2 GLU 56 HG3 GLU 56 -3.349 -20.301 -1.152 411 HG3 GLU 56 HG2 GLU 56 -2.927 -19.333 0.254 412 H LYS 57 H LYS 57 -1.362 -15.503 -1.027 413 HA LYS 57 HA LYS 57 0.537 -15.273 -3.251 414 HB2 LYS 57 HB2 LYS 57 -1.421 -13.141 -2.557 415 HB3 LYS 57 HB3 LYS 57 -0.787 -13.591 -4.129 416 HG2 LYS 57 HG2 LYS 57 -2.742 -15.226 -2.548 417 HG3 LYS 57 HG3 LYS 57 -3.188 -14.123 -3.846 418 HD2 LYS 57 HD2 LYS 57 -1.294 -16.415 -4.163 419 HD3 LYS 57 HD3 LYS 57 -3.022 -16.567 -4.442 420 HE2 LYS 57 HE2 LYS 57 -1.150 -14.689 -5.870 421 HE3 LYS 57 HE3 LYS 57 -1.763 -16.204 -6.524 422 HZ1 LYS 57 HZ1 LYS 57 -3.420 -13.852 -5.779 423 HZ2 LYS 57 HZ2 LYS 57 -4.005 -15.310 -6.398 424 HZ3 LYS 57 HZ3 LYS 57 -3.024 -14.321 -7.354 425 H MET 58 H MET 58 1.461 -12.970 -3.379 426 HA MET 58 HA MET 58 2.104 -11.913 -0.717 427 HB2 MET 58 HB3 MET 58 4.304 -11.580 -2.549 428 HB3 MET 58 HB2 MET 58 4.305 -12.236 -0.931 429 HG2 MET 58 HG3 MET 58 5.225 -13.844 -2.446 430 HG3 MET 58 HG2 MET 58 3.700 -14.443 -1.820 431 HE1 MET 58 HE1 MET 58 3.742 -15.980 -5.407 432 HE2 MET 58 HE2 MET 58 3.522 -16.296 -3.686 433 HE3 MET 58 HE3 MET 58 5.097 -15.788 -4.293 434 H MET 59 H MET 59 1.337 -9.887 -0.710 435 HA MET 59 HA MET 59 1.880 -8.112 -2.935 436 HB2 MET 59 HB3 MET 59 -0.904 -9.042 -2.285 437 HB3 MET 59 HB2 MET 59 -0.625 -7.477 -3.022 438 HG2 MET 59 HG3 MET 59 0.426 -8.556 -4.917 439 HG3 MET 59 HG2 MET 59 0.202 -10.129 -4.171 440 HE1 MET 59 HE1 MET 59 -2.549 -10.312 -3.027 441 HE2 MET 59 HE2 MET 59 -2.017 -11.488 -4.228 442 HE3 MET 59 HE3 MET 59 -3.597 -10.721 -4.383 443 H LEU 60 H LEU 60 1.905 -6.027 -2.373 444 HA LEU 60 HA LEU 60 1.182 -5.306 0.399 445 HB2 LEU 60 HB2 LEU 60 3.454 -4.743 -1.283 446 HB3 LEU 60 HB3 LEU 60 2.678 -3.247 -0.802 447 HG LEU 60 HG LEU 60 2.778 -4.338 1.590 448 HD11 LEU 60 HD11 LEU 60 3.661 -6.474 0.903 449 HD12 LEU 60 HD12 LEU 60 4.842 -5.605 1.893 450 HD13 LEU 60 HD13 LEU 60 5.045 -5.679 0.141 451 HD21 LEU 60 HD21 LEU 60 4.897 -3.233 1.953 452 HD22 LEU 60 HD22 LEU 60 3.832 -2.258 0.939 453 HD23 LEU 60 HD23 LEU 60 5.165 -3.157 0.213 454 H ARG 61 H ARG 61 0.111 -3.233 0.713 455 HA ARG 61 HA ARG 61 -0.562 -1.674 -1.621 456 HB2 ARG 61 HB2 ARG 61 -2.488 -3.183 -1.491 457 HB3 ARG 61 HB3 ARG 61 -2.791 -2.653 0.157 458 HG2 ARG 61 HG2 ARG 61 -3.270 -0.426 -0.578 459 HG3 ARG 61 HG3 ARG 61 -2.788 -0.820 -2.226 460 HD2 ARG 61 HD2 ARG 61 -5.165 -0.802 -2.142 461 HD3 ARG 61 HD3 ARG 61 -4.646 -2.473 -2.296 462 HE ARG 61 HE ARG 61 -4.950 -2.193 0.367 463 HH11 ARG 61 HH11 ARG 61 -6.993 -1.538 -2.392 464 HH12 ARG 61 HH12 ARG 61 -8.473 -1.759 -1.512 465 HH21 ARG 61 HH21 ARG 61 -6.918 -2.486 1.533 466 HH22 ARG 61 HH22 ARG 61 -8.428 -2.303 0.705 467 H LEU 62 H LEU 62 0.049 0.280 -1.168 468 HA LEU 62 HA LEU 62 0.026 1.230 1.584 469 HB2 LEU 62 HB2 LEU 62 1.427 1.988 -0.926 470 HB3 LEU 62 HB3 LEU 62 1.183 3.243 0.270 471 HG LEU 62 HG LEU 62 2.350 0.605 1.071 472 HD11 LEU 62 HD11 LEU 62 4.591 1.412 0.722 473 HD12 LEU 62 HD12 LEU 62 3.975 2.939 0.080 474 HD13 LEU 62 HD13 LEU 62 3.714 1.442 -0.816 475 HD21 LEU 62 HD21 LEU 62 3.356 1.892 2.831 476 HD22 LEU 62 HD22 LEU 62 1.617 2.183 2.786 477 HD23 LEU 62 HD23 LEU 62 2.732 3.385 2.134 478 H ILE 63 H ILE 63 -1.677 2.229 2.305 479 HA ILE 63 HA ILE 63 -3.788 3.193 0.564 480 HB ILE 63 HB ILE 63 -3.809 3.514 3.541 481 HG12 ILE 63 HG13 ILE 63 -2.916 1.245 3.206 482 HG13 ILE 63 HG12 ILE 63 -4.520 1.229 3.923 483 HG21 ILE 63 HG21 ILE 63 -5.690 4.299 2.150 484 HG22 ILE 63 HG22 ILE 63 -6.152 3.104 3.360 485 HG23 ILE 63 HG23 ILE 63 -5.986 2.627 1.674 486 HD11 ILE 63 HD11 ILE 63 -5.491 0.617 1.817 487 HD12 ILE 63 HD12 ILE 63 -4.202 -0.508 2.251 488 HD13 ILE 63 HD13 ILE 63 -3.918 0.732 1.030 489 H GLY 64 H GLY 64 -3.451 5.297 -0.222 490 HA2 GLY 64 HA3 GLY 64 -2.158 7.285 1.418 491 HA3 GLY 64 HA2 GLY 64 -2.875 7.557 -0.151 492 H LYS 65 H LYS 65 -3.147 9.272 2.141 493 HA LYS 65 HA LYS 65 -5.645 8.850 3.427 494 HB2 LYS 65 HB2 LYS 65 -3.920 11.286 3.077 495 HB3 LYS 65 HB3 LYS 65 -5.494 11.378 3.845 496 HG2 LYS 65 HG2 LYS 65 -3.986 11.192 5.607 497 HG3 LYS 65 HG3 LYS 65 -4.645 9.581 5.431 498 HD2 LYS 65 HD2 LYS 65 -2.683 8.723 4.671 499 HD3 LYS 65 HD3 LYS 65 -2.178 10.238 3.940 500 HE2 LYS 65 HE2 LYS 65 -2.298 9.779 6.900 501 HE3 LYS 65 HE3 LYS 65 -0.846 9.529 5.938 502 HZ1 LYS 65 HZ1 LYS 65 -0.917 11.852 5.297 503 HZ2 LYS 65 HZ2 LYS 65 -0.864 11.705 6.979 504 HZ3 LYS 65 HZ3 LYS 65 -2.317 12.095 6.212 505 H VAL 66 H VAL 66 -7.672 9.386 2.836 506 HA VAL 66 HA VAL 66 -8.102 10.366 0.152 507 HB VAL 66 HB VAL 66 -9.523 8.584 0.950 508 HG11 VAL 66 HG21 VAL 66 -9.529 9.070 3.322 509 HG12 VAL 66 HG22 VAL 66 -11.179 8.923 2.718 510 HG13 VAL 66 HG23 VAL 66 -10.496 10.516 3.037 511 HG21 VAL 66 HG13 VAL 66 -11.071 11.137 0.579 512 HG22 VAL 66 HG11 VAL 66 -11.732 9.509 0.419 513 HG23 VAL 66 HG12 VAL 66 -10.485 10.067 -0.696 514 H ASP 67 H ASP 67 -9.384 12.188 -0.345 515 HA ASP 67 HA ASP 67 -8.626 14.442 1.260 516 HB2 ASP 67 HB2 ASP 67 -9.601 15.714 -0.653 517 HB3 ASP 67 HB3 ASP 67 -8.323 14.607 -1.109 518 H GLU 68 H GLU 68 -9.930 14.073 3.109 519 HA GLU 68 HA GLU 68 -12.788 13.890 2.858 520 HB2 GLU 68 HB2 GLU 68 -11.061 14.169 5.297 521 HB3 GLU 68 HB3 GLU 68 -12.765 13.806 5.307 522 HG2 GLU 68 HG3 GLU 68 -12.318 11.745 4.079 523 HG3 GLU 68 HG2 GLU 68 -10.612 12.131 4.175 524 H SER 69 H SER 69 -10.727 16.459 2.664 525 HA SER 69 HA SER 69 -12.034 18.371 4.287 526 HB2 SER 69 HB3 SER 69 -9.778 18.740 3.485 527 HB3 SER 69 HB2 SER 69 -10.344 18.775 1.816 528 HG SER 69 HG SER 69 -11.802 20.557 2.891 529 H LYS 70 H LYS 70 -12.525 17.283 0.972 530 HA LYS 70 HA LYS 70 -15.059 18.717 0.970 531 HB2 LYS 70 HB2 LYS 70 -14.385 19.058 -1.620 532 HB3 LYS 70 HB3 LYS 70 -14.147 20.271 -0.376 533 HG2 LYS 70 HG2 LYS 70 -12.148 20.183 -1.609 534 HG3 LYS 70 HG3 LYS 70 -11.817 19.346 -0.094 535 HD2 LYS 70 HD2 LYS 70 -12.060 17.203 -1.183 536 HD3 LYS 70 HD3 LYS 70 -12.531 17.987 -2.688 537 HE2 LYS 70 HE2 LYS 70 -10.321 19.086 -2.759 538 HE3 LYS 70 HE3 LYS 70 -9.861 18.189 -1.313 539 HZ1 LYS 70 HZ1 LYS 70 -10.441 17.125 -4.008 540 HZ2 LYS 70 HZ2 LYS 70 -10.396 16.129 -2.643 541 HZ3 LYS 70 HZ3 LYS 70 -9.010 16.988 -3.116 542 H LYS 71 H LYS 71 -16.418 17.059 0.959 543 HA LYS 71 HA LYS 71 -15.952 14.653 -0.404 544 HB2 LYS 71 HB2 LYS 71 -18.268 14.082 0.251 545 HB3 LYS 71 HB3 LYS 71 -17.231 14.545 1.586 546 HG2 LYS 71 HG2 LYS 71 -18.204 16.791 1.534 547 HG3 LYS 71 HG3 LYS 71 -19.275 16.242 0.250 548 HD2 LYS 71 HD2 LYS 71 -19.113 14.891 2.916 549 HD3 LYS 71 HD3 LYS 71 -20.240 16.212 2.601 550 HE2 LYS 71 HE2 LYS 71 -21.209 14.879 0.769 551 HE3 LYS 71 HE3 LYS 71 -20.101 13.569 1.169 552 HZ1 LYS 71 HZ1 LYS 71 -21.133 13.319 3.290 553 HZ2 LYS 71 HZ2 LYS 71 -22.349 13.291 2.114 554 HZ3 LYS 71 HZ3 LYS 71 -22.108 14.680 3.046 555 H ARG 72 H ARG 72 -16.779 13.898 -2.234 556 HA ARG 72 HA ARG 72 -17.113 15.742 -4.306 557 HB2 ARG 72 HB2 ARG 72 -16.971 12.807 -3.969 558 HB3 ARG 72 HB3 ARG 72 -17.687 13.403 -5.464 559 HG2 ARG 72 HG2 ARG 72 -15.300 12.932 -5.575 560 HG3 ARG 72 HG3 ARG 72 -15.711 14.562 -6.021 561 HD2 ARG 72 HD2 ARG 72 -14.969 15.343 -3.904 562 HD3 ARG 72 HD3 ARG 72 -14.667 13.708 -3.347 563 HE ARG 72 HE ARG 72 -12.764 13.612 -4.698 564 HH11 ARG 72 HH11 ARG 72 -14.392 16.695 -4.994 565 HH12 ARG 72 HH12 ARG 72 -13.057 17.468 -5.784 566 HH21 ARG 72 HH21 ARG 72 -11.006 14.624 -5.740 567 HH22 ARG 72 HH22 ARG 72 -11.138 16.286 -6.226 568 H LYS 73 H LYS 73 -18.702 15.166 -6.094 569 HA LYS 73 HA LYS 73 -21.450 15.293 -5.025 570 HB2 LYS 73 HB2 LYS 73 -20.587 16.967 -7.349 571 HB3 LYS 73 HB3 LYS 73 -21.932 17.218 -6.240 572 HG2 LYS 73 HG2 LYS 73 -19.114 17.346 -5.307 573 HG3 LYS 73 HG3 LYS 73 -19.890 18.751 -6.045 574 HD2 LYS 73 HD2 LYS 73 -21.413 18.939 -4.287 575 HD3 LYS 73 HD3 LYS 73 -21.140 17.275 -3.762 576 HE2 LYS 73 HE2 LYS 73 -18.861 17.848 -3.104 577 HE3 LYS 73 HE3 LYS 73 -19.145 19.520 -3.608 578 HZ1 LYS 73 HZ1 LYS 73 -19.398 19.319 -1.235 579 HZ2 LYS 73 HZ2 LYS 73 -20.563 18.105 -1.406 580 HZ3 LYS 73 HZ3 LYS 73 -20.898 19.681 -1.925 581 H ASP 74 H ASP 74 -23.077 14.473 -6.443 582 HA ASP 74 HA ASP 74 -21.997 12.877 -8.648 583 HB2 ASP 74 HB2 ASP 74 -23.427 11.901 -6.680 584 HB3 ASP 74 HB3 ASP 74 -24.769 12.581 -7.582 585 H ASN 75 H ASN 75 -24.376 12.584 -10.124 586 HA ASN 75 HA ASN 75 -24.128 14.760 -11.837 587 HB2 ASN 75 HB2 ASN 75 -26.468 12.869 -11.587 588 HB3 ASN 75 HB3 ASN 75 -26.161 13.937 -12.948 589 HD21 ASN 75 HD21 ASN 75 -26.354 11.017 -12.803 590 HD22 ASN 75 HD22 ASN 75 -24.867 10.417 -13.453 591 H GLU 76 H GLU 76 -26.263 14.417 -9.077 592 HA GLU 76 HA GLU 76 -27.649 16.893 -9.866 593 HB2 GLU 76 HB2 GLU 76 -29.047 14.862 -9.496 594 HB3 GLU 76 HB3 GLU 76 -28.511 14.848 -7.821 595 HG2 GLU 76 HG3 GLU 76 -29.457 17.132 -7.584 596 HG3 GLU 76 HG2 GLU 76 -30.145 16.958 -9.197 597 H GLY 77 H GLY 77 -25.155 15.937 -7.993 598 HA2 GLY 77 HA3 GLY 77 -24.001 17.238 -6.402 599 HA3 GLY 77 HA2 GLY 77 -25.448 18.215 -6.192 600 H ASN 78 H ASN 78 -25.921 14.882 -6.159 601 HA ASN 78 HA ASN 78 -27.042 14.584 -3.677 602 HB2 ASN 78 HB2 ASN 78 -25.431 12.550 -5.184 603 HB3 ASN 78 HB3 ASN 78 -26.625 12.198 -3.953 604 HD21 ASN 78 HD21 ASN 78 -26.044 13.281 -7.155 605 HD22 ASN 78 HD22 ASN 78 -27.631 13.084 -7.766 606 H GLU 79 H GLU 79 -23.755 14.220 -4.643 607 HA GLU 79 HA GLU 79 -21.789 14.574 -3.514 608 HB2 GLU 79 HB2 GLU 79 -23.464 14.366 -1.015 609 HB3 GLU 79 HB3 GLU 79 -21.708 14.434 -1.008 610 HG2 GLU 79 HG3 GLU 79 -21.829 16.552 -2.231 611 HG3 GLU 79 HG2 GLU 79 -23.578 16.534 -2.039 612 H VAL 80 H VAL 80 -20.254 13.147 -3.234 613 HA VAL 80 HA VAL 80 -21.023 10.344 -2.717 614 HB VAL 80 HB VAL 80 -18.715 11.084 -4.485 615 HG11 VAL 80 HG21 VAL 80 -19.098 8.855 -5.424 616 HG12 VAL 80 HG22 VAL 80 -20.468 8.637 -4.335 617 HG13 VAL 80 HG23 VAL 80 -18.840 8.802 -3.680 618 HG21 VAL 80 HG13 VAL 80 -20.637 12.204 -5.491 619 HG22 VAL 80 HG11 VAL 80 -21.558 10.701 -5.437 620 HG23 VAL 80 HG12 VAL 80 -20.137 10.828 -6.473 621 H VAL 81 H VAL 81 -19.522 9.152 -1.519 622 HA VAL 81 HA VAL 81 -17.244 10.701 -0.521 623 HB VAL 81 HB VAL 81 -18.645 10.084 1.336 624 HG11 VAL 81 HG21 VAL 81 -19.879 8.240 0.387 625 HG12 VAL 81 HG22 VAL 81 -19.135 7.740 1.904 626 HG13 VAL 81 HG23 VAL 81 -18.428 7.241 0.368 627 HG21 VAL 81 HG13 VAL 81 -17.079 8.753 2.689 628 HG22 VAL 81 HG11 VAL 81 -16.263 10.005 1.752 629 HG23 VAL 81 HG12 VAL 81 -16.200 8.325 1.221 630 HA PRO 82 HA PRO 82 -15.276 7.818 -3.330 631 HB2 PRO 82 HB3 PRO 82 -13.102 9.347 -3.708 632 HB3 PRO 82 HB2 PRO 82 -14.615 9.598 -4.567 633 HG2 PRO 82 HG3 PRO 82 -13.489 11.058 -2.253 634 HG3 PRO 82 HG2 PRO 82 -14.421 11.679 -3.617 635 HD2 PRO 82 HD2 PRO 82 -15.426 11.225 -1.126 636 HD3 PRO 82 HD3 PRO 82 -16.373 11.228 -2.613 637 H LYS 83 H LYS 83 -13.325 6.606 -3.294 638 HA LYS 83 HA LYS 83 -12.530 6.034 -0.553 639 HB2 LYS 83 HB2 LYS 83 -12.138 4.513 -3.135 640 HB3 LYS 83 HB3 LYS 83 -11.481 3.990 -1.594 641 HG2 LYS 83 HG2 LYS 83 -13.433 2.751 -1.837 642 HG3 LYS 83 HG3 LYS 83 -13.884 4.053 -0.739 643 HD2 LYS 83 HD2 LYS 83 -15.645 3.777 -2.343 644 HD3 LYS 83 HD3 LYS 83 -14.810 5.290 -2.701 645 HE2 LYS 83 HE2 LYS 83 -13.558 4.203 -4.478 646 HE3 LYS 83 HE3 LYS 83 -14.318 2.661 -4.090 647 HZ1 LYS 83 HZ1 LYS 83 -15.754 5.079 -5.032 648 HZ2 LYS 83 HZ2 LYS 83 -16.442 3.563 -4.727 649 HZ3 LYS 83 HZ3 LYS 83 -15.342 3.753 -5.996 650 HA PRO 84 HA PRO 84 -8.568 7.943 -0.727 651 HB2 PRO 84 HB3 PRO 84 -7.489 5.554 0.617 652 HB3 PRO 84 HB2 PRO 84 -7.515 7.233 1.158 653 HG2 PRO 84 HG3 PRO 84 -9.094 5.308 2.224 654 HG3 PRO 84 HG2 PRO 84 -9.551 7.018 2.159 655 HD2 PRO 84 HD2 PRO 84 -10.526 4.736 0.540 656 HD3 PRO 84 HD3 PRO 84 -11.349 6.239 0.993 657 H GLN 85 H GLN 85 -6.768 7.884 -2.028 658 HA GLN 85 HA GLN 85 -6.645 5.772 -3.962 659 HB2 GLN 85 HB2 GLN 85 -4.392 7.222 -4.468 660 HB3 GLN 85 HB3 GLN 85 -5.970 7.545 -5.160 661 HG2 GLN 85 HG2 GLN 85 -5.178 9.612 -4.422 662 HG3 GLN 85 HG3 GLN 85 -6.354 9.116 -3.213 663 HE21 GLN 85 HE21 GLN 85 -3.090 7.865 -3.484 664 HE22 GLN 85 HE22 GLN 85 -2.516 8.526 -1.999 665 H ARG 86 H ARG 86 -5.732 3.943 -3.667 666 HA ARG 86 HA ARG 86 -3.543 3.773 -1.720 667 HB2 ARG 86 HB2 ARG 86 -5.387 1.495 -2.445 668 HB3 ARG 86 HB3 ARG 86 -4.339 1.658 -1.028 669 HG2 ARG 86 HG2 ARG 86 -5.748 3.316 -0.080 670 HG3 ARG 86 HG3 ARG 86 -6.691 3.458 -1.556 671 HD2 ARG 86 HD2 ARG 86 -6.532 0.834 -0.131 672 HD3 ARG 86 HD3 ARG 86 -7.630 2.090 0.446 673 HE ARG 86 HE ARG 86 -7.730 1.142 -2.340 674 HH11 ARG 86 HH11 ARG 86 -9.306 1.745 0.736 675 HH12 ARG 86 HH12 ARG 86 -10.888 1.367 0.137 676 HH21 ARG 86 HH21 ARG 86 -9.818 0.646 -3.115 677 HH22 ARG 86 HH22 ARG 86 -11.180 0.735 -2.039 678 H HIS 87 H HIS 87 -1.776 2.545 -2.230 679 HA HIS 87 HA HIS 87 -1.458 2.041 -5.114 680 HB2 HIS 87 HB3 HIS 87 0.707 2.524 -3.058 681 HB3 HIS 87 HB2 HIS 87 0.873 2.581 -4.802 682 HD1 HIS 87 HD1 HIS 87 -0.404 4.677 -5.989 683 HD2 HIS 87 HD2 HIS 87 0.084 4.888 -1.871 684 HE1 HIS 87 HE1 HIS 87 -0.742 7.093 -5.390 685 HE2 HIS 87 HE2 HIS 87 -0.247 7.225 -2.923 686 H MET 88 H MET 88 -1.530 -0.097 -5.594 687 HA MET 88 HA MET 88 -0.690 -1.995 -3.510 688 HB2 MET 88 HB3 MET 88 -3.031 -2.191 -4.295 689 HB3 MET 88 HB2 MET 88 -2.440 -2.498 -5.923 690 HG2 MET 88 HG3 MET 88 -1.280 -4.507 -5.087 691 HG3 MET 88 HG2 MET 88 -1.975 -4.214 -3.498 692 HE1 MET 88 HE1 MET 88 -5.792 -4.828 -4.106 693 HE2 MET 88 HE2 MET 88 -4.935 -3.289 -4.093 694 HE3 MET 88 HE3 MET 88 -4.543 -4.525 -2.900 695 H PHE 89 H PHE 89 1.176 -3.028 -3.757 696 HA PHE 89 HA PHE 89 2.206 -3.388 -6.482 697 HB2 PHE 89 HB3 PHE 89 3.763 -2.944 -3.935 698 HB3 PHE 89 HB2 PHE 89 4.476 -3.308 -5.502 699 HD1 PHE 89 HD1 PHE 89 2.676 -0.805 -3.542 700 HD2 PHE 89 HD2 PHE 89 4.674 -1.630 -7.190 701 HE1 PHE 89 HE1 PHE 89 2.748 1.610 -4.039 702 HE2 PHE 89 HE2 PHE 89 4.737 0.773 -7.709 703 HZ PHE 89 HZ PHE 89 3.774 2.397 -6.129 704 H SER 90 H SER 90 2.465 -5.456 -7.075 705 HA SER 90 HA SER 90 1.947 -7.501 -5.088 706 HB2 SER 90 HB3 SER 90 2.207 -7.704 -8.095 707 HB3 SER 90 HB2 SER 90 1.663 -8.991 -7.024 708 HG SER 90 HG SER 90 -0.249 -8.122 -7.006 709 H PHE 91 H PHE 91 3.419 -8.866 -4.320 710 HA PHE 91 HA PHE 91 6.103 -8.804 -5.533 711 HB2 PHE 91 HB3 PHE 91 5.153 -9.261 -2.731 712 HB3 PHE 91 HB2 PHE 91 6.677 -9.975 -3.251 713 HD1 PHE 91 HD2 PHE 91 8.309 -8.344 -4.464 714 HD2 PHE 91 HD1 PHE 91 5.187 -7.129 -1.852 715 HE1 PHE 91 HE2 PHE 91 9.473 -6.216 -4.075 716 HE2 PHE 91 HE1 PHE 91 6.353 -5.003 -1.457 717 HZ PHE 91 HZ PHE 91 8.491 -4.539 -2.570 718 H ASN 92 H ASN 92 7.345 -10.918 -5.080 719 HA ASN 92 HA ASN 92 5.655 -13.160 -5.979 720 HB2 ASN 92 HB2 ASN 92 8.545 -12.506 -6.574 721 HB3 ASN 92 HB3 ASN 92 7.779 -14.025 -7.024 722 HD21 ASN 92 HD21 ASN 92 5.288 -13.062 -7.859 723 HD22 ASN 92 HD22 ASN 92 5.515 -12.125 -9.291 724 H ASN 93 H ASN 93 7.170 -12.010 -3.368 725 HA ASN 93 HA ASN 93 7.437 -14.669 -2.213 726 HB2 ASN 93 HB2 ASN 93 9.697 -13.915 -3.051 727 HB3 ASN 93 HB3 ASN 93 9.605 -12.580 -1.917 728 HD21 ASN 93 HD21 ASN 93 11.484 -14.830 -2.129 729 HD22 ASN 93 HD22 ASN 93 11.453 -15.604 -0.583 730 H ARG 94 H ARG 94 6.524 -14.748 -0.285 731 HA ARG 94 HA ARG 94 5.216 -12.441 0.750 732 HB2 ARG 94 HB2 ARG 94 4.591 -15.016 0.851 733 HB3 ARG 94 HB3 ARG 94 5.404 -14.885 2.397 734 HG2 ARG 94 HG2 ARG 94 3.735 -12.703 2.286 735 HG3 ARG 94 HG3 ARG 94 2.797 -14.077 1.664 736 HD2 ARG 94 HD2 ARG 94 4.413 -14.001 4.174 737 HD3 ARG 94 HD3 ARG 94 2.679 -13.972 4.046 738 HE ARG 94 HE ARG 94 3.120 -16.240 2.823 739 HH11 ARG 94 HH11 ARG 94 4.551 -15.015 5.769 740 HH12 ARG 94 HH12 ARG 94 4.902 -16.591 6.402 741 HH21 ARG 94 HH21 ARG 94 3.570 -18.306 3.644 742 HH22 ARG 94 HH22 ARG 94 4.341 -18.472 5.190 743 H THR 95 H THR 95 8.251 -13.948 1.379 744 HA THR 95 HA THR 95 8.667 -12.732 3.930 745 HB THR 95 HB THR 95 10.673 -13.763 1.916 746 HG1 THR 95 HG1 THR 95 9.318 -15.395 2.768 747 HG21 THR 95 HG21 THR 95 11.050 -13.057 4.826 748 HG22 THR 95 HG22 THR 95 11.643 -12.114 3.459 749 HG23 THR 95 HG23 THR 95 12.273 -13.737 3.750 750 H VAL 96 H VAL 96 9.998 -11.980 0.703 751 HA VAL 96 HA VAL 96 11.130 -9.541 1.067 752 HB VAL 96 HB VAL 96 9.302 -10.318 -1.225 753 HG11 VAL 96 HG21 VAL 96 11.340 -8.093 -1.025 754 HG12 VAL 96 HG22 VAL 96 9.588 -7.914 -1.185 755 HG13 VAL 96 HG23 VAL 96 10.534 -8.598 -2.510 756 HG21 VAL 96 HG13 VAL 96 11.361 -10.930 -2.384 757 HG22 VAL 96 HG11 VAL 96 11.210 -11.839 -0.880 758 HG23 VAL 96 HG12 VAL 96 12.315 -10.467 -0.974 759 H MET 97 H MET 97 7.693 -10.044 0.263 760 HA MET 97 HA MET 97 7.056 -7.318 0.501 761 HB2 MET 97 HB3 MET 97 4.784 -7.977 0.262 762 HB3 MET 97 HB2 MET 97 5.771 -9.022 -0.755 763 HG2 MET 97 HG3 MET 97 4.768 -10.745 0.148 764 HG3 MET 97 HG2 MET 97 5.539 -10.347 1.686 765 HE1 MET 97 HE1 MET 97 4.314 -8.480 3.386 766 HE2 MET 97 HE2 MET 97 4.231 -10.214 3.698 767 HE3 MET 97 HE3 MET 97 2.790 -9.211 3.895 768 H ASP 98 H ASP 98 7.259 -9.873 2.897 769 HA ASP 98 HA ASP 98 5.846 -8.449 4.936 770 HB2 ASP 98 HB2 ASP 98 6.229 -10.871 5.115 771 HB3 ASP 98 HB3 ASP 98 7.969 -10.598 5.185 772 H ASN 99 H ASN 99 9.064 -8.522 3.711 773 HA ASN 99 HA ASN 99 10.304 -7.050 5.839 774 HB2 ASN 99 HB2 ASN 99 11.175 -7.663 2.997 775 HB3 ASN 99 HB3 ASN 99 12.200 -6.889 4.191 776 HD21 ASN 99 HD21 ASN 99 12.294 -9.504 2.700 777 HD22 ASN 99 HD22 ASN 99 12.562 -10.675 3.942 778 H ILE 100 H ILE 100 9.258 -6.352 2.552 779 HA ILE 100 HA ILE 100 9.748 -3.595 2.480 780 HB ILE 100 HB ILE 100 7.619 -5.270 1.130 781 HG12 ILE 100 HG13 ILE 100 10.000 -5.794 0.644 782 HG13 ILE 100 HG12 ILE 100 9.107 -5.235 -0.768 783 HG21 ILE 100 HG21 ILE 100 7.030 -2.837 1.257 784 HG22 ILE 100 HG22 ILE 100 7.217 -3.465 -0.380 785 HG23 ILE 100 HG23 ILE 100 8.498 -2.501 0.343 786 HD11 ILE 100 HD11 ILE 100 10.037 -2.957 -0.342 787 HD12 ILE 100 HD12 ILE 100 11.226 -4.183 -0.799 788 HD13 ILE 100 HD13 ILE 100 11.071 -3.688 0.887 789 H LYS 101 H LYS 101 6.784 -5.366 3.312 790 HA LYS 101 HA LYS 101 5.188 -3.185 3.949 791 HB2 LYS 101 HB2 LYS 101 4.061 -5.212 3.750 792 HB3 LYS 101 HB3 LYS 101 5.196 -6.067 4.797 793 HG2 LYS 101 HG2 LYS 101 4.149 -4.249 6.516 794 HG3 LYS 101 HG3 LYS 101 2.774 -4.553 5.456 795 HD2 LYS 101 HD2 LYS 101 2.562 -6.142 7.173 796 HD3 LYS 101 HD3 LYS 101 3.260 -7.035 5.822 797 HE2 LYS 101 HE2 LYS 101 4.446 -7.698 7.767 798 HE3 LYS 101 HE3 LYS 101 5.524 -6.637 6.861 799 HZ1 LYS 101 HZ1 LYS 101 4.931 -4.826 8.350 800 HZ2 LYS 101 HZ2 LYS 101 5.555 -6.133 9.224 801 HZ3 LYS 101 HZ3 LYS 101 3.890 -5.836 9.215 802 H MET 102 H MET 102 7.323 -5.130 6.055 803 HA MET 102 HA MET 102 6.608 -3.741 8.421 804 HB2 MET 102 HB3 MET 102 8.302 -4.978 9.521 805 HB3 MET 102 HB2 MET 102 7.635 -6.046 8.298 806 HG2 MET 102 HG3 MET 102 9.821 -6.462 8.010 807 HG3 MET 102 HG2 MET 102 9.637 -5.132 6.877 808 HE1 MET 102 HE1 MET 102 9.868 -5.133 10.836 809 HE2 MET 102 HE2 MET 102 11.603 -4.885 11.027 810 HE3 MET 102 HE3 MET 102 11.000 -6.357 10.266 811 H THR 103 H THR 103 8.894 -3.123 5.889 812 HA THR 103 HA THR 103 10.475 -1.178 7.200 813 HB THR 103 HB THR 103 9.759 -1.503 4.279 814 HG1 THR 103 HG1 THR 103 11.024 -3.201 4.721 815 HG21 THR 103 HG21 THR 103 11.707 -0.114 3.807 816 HG22 THR 103 HG22 THR 103 11.884 0.206 5.536 817 HG23 THR 103 HG23 THR 103 10.443 0.767 4.679 818 H LEU 104 H LEU 104 7.690 -0.914 5.022 819 HA LEU 104 HA LEU 104 7.535 1.892 5.137 820 HB2 LEU 104 HB2 LEU 104 5.341 -0.100 4.507 821 HB3 LEU 104 HB3 LEU 104 5.315 1.602 4.123 822 HG LEU 104 HG LEU 104 7.507 -0.080 3.006 823 HD11 LEU 104 HD11 LEU 104 5.647 -1.406 2.435 824 HD12 LEU 104 HD12 LEU 104 6.048 -0.441 1.014 825 HD13 LEU 104 HD13 LEU 104 4.684 0.012 2.034 826 HD21 LEU 104 HD21 LEU 104 7.506 2.354 2.743 827 HD22 LEU 104 HD22 LEU 104 5.945 2.222 1.926 828 HD23 LEU 104 HD23 LEU 104 7.387 1.496 1.209 829 H GLN 105 H GLN 105 5.429 -0.552 6.624 830 HA GLN 105 HA GLN 105 3.842 1.108 8.119 831 HB2 GLN 105 HB2 GLN 105 4.785 -1.658 8.833 832 HB3 GLN 105 HB3 GLN 105 3.481 -0.814 9.660 833 HG2 GLN 105 HG2 GLN 105 2.254 -0.666 7.565 834 HG3 GLN 105 HG3 GLN 105 3.560 -1.513 6.751 835 HE21 GLN 105 HE21 GLN 105 0.837 -2.232 6.865 836 HE22 GLN 105 HE22 GLN 105 0.739 -3.774 7.638 837 H GLN 106 H GLN 106 7.176 0.308 8.784 838 HA GLN 106 HA GLN 106 7.233 1.071 11.505 839 HB2 GLN 106 HB2 GLN 106 9.198 0.766 9.320 840 HB3 GLN 106 HB3 GLN 106 9.681 1.688 10.713 841 HG2 GLN 106 HG2 GLN 106 9.155 -0.253 12.141 842 HG3 GLN 106 HG3 GLN 106 8.764 -1.167 10.684 843 HE21 GLN 106 HE21 GLN 106 10.363 -2.674 10.924 844 HE22 GLN 106 HE22 GLN 106 12.046 -2.305 10.765 845 H ILE 107 H ILE 107 7.622 2.680 8.470 846 HA ILE 107 HA ILE 107 8.182 5.300 9.436 847 HB ILE 107 HB ILE 107 7.060 4.358 6.781 848 HG12 ILE 107 HG13 ILE 107 9.941 4.991 7.354 849 HG13 ILE 107 HG12 ILE 107 9.298 3.375 7.560 850 HG21 ILE 107 HG21 ILE 107 7.899 6.446 5.877 851 HG22 ILE 107 HG22 ILE 107 8.447 6.935 7.481 852 HG23 ILE 107 HG23 ILE 107 6.722 6.726 7.158 853 HD11 ILE 107 HD11 ILE 107 9.336 4.959 5.005 854 HD12 ILE 107 HD12 ILE 107 8.697 3.329 5.199 855 HD13 ILE 107 HD13 ILE 107 10.417 3.632 5.426 856 H ILE 108 H ILE 108 5.318 3.590 8.308 857 HA ILE 108 HA ILE 108 3.581 5.812 8.232 858 HB ILE 108 HB ILE 108 2.799 2.930 8.696 859 HG12 ILE 108 HG13 ILE 108 4.127 4.263 6.442 860 HG13 ILE 108 HG12 ILE 108 4.120 2.574 6.905 861 HG21 ILE 108 HG21 ILE 108 1.392 5.324 7.592 862 HG22 ILE 108 HG22 ILE 108 0.832 4.127 8.767 863 HG23 ILE 108 HG23 ILE 108 0.941 3.704 7.062 864 HD11 ILE 108 HD11 ILE 108 1.830 2.413 5.920 865 HD12 ILE 108 HD12 ILE 108 3.137 2.734 4.779 866 HD13 ILE 108 HD13 ILE 108 2.074 4.046 5.288 867 H SER 109 H SER 109 3.664 3.197 10.645 868 HA SER 109 HA SER 109 2.163 4.371 12.631 869 HB2 SER 109 HB3 SER 109 2.886 2.032 12.717 870 HB3 SER 109 HB2 SER 109 4.558 2.543 12.932 871 HG SER 109 HG SER 109 2.403 2.651 14.736 872 H ARG 110 H ARG 110 5.393 5.036 11.636 873 HA ARG 110 HA ARG 110 6.246 6.530 13.884 874 HB2 ARG 110 HB2 ARG 110 8.079 5.998 12.645 875 HB3 ARG 110 HB3 ARG 110 7.156 5.919 11.176 876 HG2 ARG 110 HG2 ARG 110 7.242 8.255 10.903 877 HG3 ARG 110 HG3 ARG 110 8.121 8.452 12.433 878 HD2 ARG 110 HD2 ARG 110 9.877 6.966 11.527 879 HD3 ARG 110 HD3 ARG 110 9.022 6.938 9.996 880 HE ARG 110 HE ARG 110 9.624 9.602 10.817 881 HH11 ARG 110 HH11 ARG 110 10.935 6.712 9.386 882 HH12 ARG 110 HH12 ARG 110 12.196 7.527 8.512 883 HH21 ARG 110 HH21 ARG 110 11.267 10.724 9.669 884 HH22 ARG 110 HH22 ARG 110 12.380 9.831 8.682 885 H TYR 111 H TYR 111 4.072 7.139 11.304 886 HA TYR 111 HA TYR 111 4.247 10.026 11.705 887 HB2 TYR 111 HB3 TYR 111 3.394 8.298 9.433 888 HB3 TYR 111 HB2 TYR 111 2.610 9.860 9.601 889 HD1 TYR 111 HD2 TYR 111 3.984 11.942 9.493 890 HD2 TYR 111 HD1 TYR 111 5.641 8.117 8.701 891 HE1 TYR 111 HE2 TYR 111 5.926 13.015 8.435 892 HE2 TYR 111 HE1 TYR 111 7.595 9.169 7.640 893 HH TYR 111 HH TYR 111 8.256 12.499 7.922 894 H LYS 112 H LYS 112 2.666 7.321 12.654 895 HA LYS 112 HA LYS 112 0.142 8.602 13.268 896 HB2 LYS 112 HB2 LYS 112 1.261 5.858 13.563 897 HB3 LYS 112 HB3 LYS 112 -0.065 6.327 14.620 898 HG2 LYS 112 HG2 LYS 112 -1.409 5.709 12.947 899 HG3 LYS 112 HG3 LYS 112 -0.847 7.185 12.181 900 HD2 LYS 112 HD2 LYS 112 1.057 5.196 11.658 901 HD3 LYS 112 HD3 LYS 112 -0.527 4.568 11.227 902 HE2 LYS 112 HE2 LYS 112 0.754 7.126 10.351 903 HE3 LYS 112 HE3 LYS 112 0.408 5.734 9.344 904 HZ1 LYS 112 HZ1 LYS 112 -1.246 7.388 8.945 905 HZ2 LYS 112 HZ2 LYS 112 -1.578 7.544 10.591 906 HZ3 LYS 112 HZ3 LYS 112 -1.978 6.115 9.780 907 H ASP 113 H ASP 113 3.198 7.937 14.692 908 HA ASP 113 HA ASP 113 2.505 8.715 17.353 909 HB2 ASP 113 HB2 ASP 113 4.505 7.399 16.999 910 HB3 ASP 113 HB3 ASP 113 5.161 8.610 15.904 911 H ALA 114 H ALA 114 2.970 10.330 14.423 912 HA ALA 114 HA ALA 114 3.137 12.928 15.796 913 HB1 ALA 114 HB1 ALA 114 4.222 13.827 13.807 914 HB2 ALA 114 HB2 ALA 114 4.126 12.248 13.028 915 HB3 ALA 114 HB3 ALA 114 5.137 12.467 14.456 916 H ASP 115 H ASP 115 0.781 11.298 15.151 917 HA ASP 115 HA ASP 115 -0.502 12.683 12.949 918 HB2 ASP 115 HB2 ASP 115 -0.891 10.262 13.311 919 HB3 ASP 115 HB3 ASP 115 -1.635 10.628 14.856 920 H1 GLY 242 H1 GLY 242 -9.402 -35.556 9.644 921 H2 GLY 242 H2 GLY 242 -9.747 -34.353 8.506 922 H3 GLY 242 H3 GLY 242 -8.837 -33.982 9.879 923 HA2 GLY 242 HA2 GLY 242 -7.059 -35.433 9.133 924 HA3 GLY 242 HA3 GLY 242 -8.006 -35.806 7.699 925 H GLY 243 H GLY 243 -5.579 -34.884 7.209 926 HA2 GLY 243 HA3 GLY 243 -6.102 -32.385 5.879 927 HA3 GLY 243 HA2 GLY 243 -4.929 -32.248 7.185 928 H GLY 244 H GLY 244 -3.965 -31.575 4.835 929 HA2 GLY 244 HA3 GLY 244 -1.762 -32.289 4.046 930 HA3 GLY 244 HA2 GLY 244 -2.388 -33.931 4.005 931 H GLY 245 H GLY 245 -3.883 -34.518 2.363 932 HA2 GLY 245 HA3 GLY 245 -3.481 -33.050 -0.105 933 HA3 GLY 245 HA2 GLY 245 -4.309 -34.590 0.073 934 H TYR 246 H TYR 246 -6.052 -33.684 2.170 935 HA TYR 246 HA TYR 246 -7.670 -31.632 0.829 936 HB2 TYR 246 HB3 TYR 246 -8.689 -34.207 2.055 937 HB3 TYR 246 HB2 TYR 246 -9.711 -32.887 1.507 938 HD1 TYR 246 HD2 TYR 246 -9.855 -32.370 -0.921 939 HD2 TYR 246 HD1 TYR 246 -7.798 -35.798 0.529 940 HE1 TYR 246 HE2 TYR 246 -9.952 -33.371 -3.164 941 HE2 TYR 246 HE1 TYR 246 -7.895 -36.812 -1.707 942 HH TYR 246 HH TYR 246 -9.242 -36.648 -3.739 943 H ASP 247 H ASP 247 -8.206 -30.023 2.174 944 HA ASP 247 HA ASP 247 -7.500 -30.180 4.952 945 HB2 ASP 247 HB2 ASP 247 -8.666 -28.032 3.203 946 HB3 ASP 247 HB3 ASP 247 -8.633 -27.843 4.951 947 H VAL 248 H VAL 248 -8.849 -30.175 6.703 948 HA VAL 248 HA VAL 248 -11.481 -31.296 6.284 949 HB VAL 248 HB VAL 248 -9.928 -32.058 8.104 950 HG11 VAL 248 HG21 VAL 248 -9.047 -29.901 8.772 951 HG12 VAL 248 HG22 VAL 248 -9.771 -30.730 10.148 952 HG13 VAL 248 HG23 VAL 248 -10.636 -29.412 9.359 953 HG21 VAL 248 HG13 VAL 248 -12.285 -32.600 8.220 954 HG22 VAL 248 HG11 VAL 248 -12.630 -31.052 8.989 955 HG23 VAL 248 HG12 VAL 248 -11.665 -32.260 9.836 956 H GLU 249 H GLU 249 -10.295 -28.315 6.108 957 HA GLU 249 HA GLU 249 -12.664 -27.021 7.274 958 HB2 GLU 249 HB2 GLU 249 -11.249 -25.010 7.558 959 HB3 GLU 249 HB3 GLU 249 -10.652 -26.384 8.480 960 HG2 GLU 249 HG3 GLU 249 -9.066 -26.820 6.576 961 HG3 GLU 249 HG2 GLU 249 -9.551 -25.257 5.924 962 H MET 250 H MET 250 -13.685 -25.438 6.068 963 HA MET 250 HA MET 250 -12.804 -25.205 3.265 964 HB2 MET 250 HB3 MET 250 -15.636 -25.321 4.328 965 HB3 MET 250 HB2 MET 250 -15.206 -24.978 2.658 966 HG2 MET 250 HG3 MET 250 -14.634 -27.529 4.148 967 HG3 MET 250 HG2 MET 250 -15.883 -27.290 2.926 968 HE1 MET 250 HE1 MET 250 -13.098 -29.616 1.282 969 HE2 MET 250 HE2 MET 250 -14.801 -29.522 1.733 970 HE3 MET 250 HE3 MET 250 -13.558 -29.559 2.984 971 H GLU 251 H GLU 251 -12.392 -23.675 5.768 972 HA GLU 251 HA GLU 251 -13.762 -21.209 5.590 973 HB2 GLU 251 HB2 GLU 251 -12.664 -22.044 7.634 974 HB3 GLU 251 HB3 GLU 251 -11.098 -21.877 6.857 975 HG2 GLU 251 HG3 GLU 251 -11.331 -19.493 6.767 976 HG3 GLU 251 HG2 GLU 251 -12.986 -19.593 7.371 977 H SER 252 H SER 252 -13.305 -19.409 4.466 978 HA SER 252 HA SER 252 -10.805 -19.261 2.960 979 HB2 SER 252 HB3 SER 252 -13.550 -18.873 1.739 980 HB3 SER 252 HB2 SER 252 -12.011 -18.642 0.910 981 HG SER 252 HG SER 252 -11.639 -20.800 0.968 982 H GLU 253 H GLU 253 -11.434 -17.870 5.290 983 HA GLU 253 HA GLU 253 -12.360 -15.229 4.561 984 HB2 GLU 253 HB2 GLU 253 -11.091 -16.263 7.103 985 HB3 GLU 253 HB3 GLU 253 -11.678 -14.621 6.885 986 HG2 GLU 253 HG3 GLU 253 -13.939 -15.641 6.387 987 HG3 GLU 253 HG2 GLU 253 -13.270 -17.164 6.973 988 H GLU 254 H GLU 254 -9.391 -16.947 4.863 989 HA GLU 254 HA GLU 254 -7.563 -14.903 5.265 990 HB2 GLU 254 HB2 GLU 254 -7.131 -17.392 3.611 991 HB3 GLU 254 HB3 GLU 254 -5.882 -16.410 4.352 992 HG2 GLU 254 HG3 GLU 254 -6.026 -18.157 5.808 993 HG3 GLU 254 HG2 GLU 254 -7.112 -16.996 6.565 994 H GLU 255 H GLU 255 -8.776 -16.203 2.190 995 HA GLU 255 HA GLU 255 -7.207 -14.615 0.525 996 HB2 GLU 255 HB2 GLU 255 -9.021 -15.044 -1.199 997 HB3 GLU 255 HB3 GLU 255 -8.228 -16.447 -0.497 998 HG2 GLU 255 HG3 GLU 255 -10.157 -16.528 1.128 999 HG3 GLU 255 HG2 GLU 255 -10.967 -15.379 0.068 1000 H SER 256 H SER 256 -10.604 -14.074 1.451 1001 HA SER 256 HA SER 256 -11.864 -12.204 1.631 1002 HB2 SER 256 HB3 SER 256 -10.182 -11.756 3.398 1003 HB3 SER 256 HB2 SER 256 -9.232 -10.853 2.223 1004 HG SER 256 HG SER 256 -11.824 -10.248 3.197 1005 H ASP 257 H ASP 257 -12.727 -11.739 -0.295 1006 HA ASP 257 HA ASP 257 -11.310 -10.700 -2.521 1007 HB2 ASP 257 HB2 ASP 257 -13.373 -11.905 -2.859 1008 HB3 ASP 257 HB3 ASP 257 -14.262 -10.752 -1.872 1009 H ASP 258 H ASP 258 -12.641 -9.255 0.286 1010 HA ASP 258 HA ASP 258 -13.172 -6.657 -0.608 1011 HB2 ASP 258 HB2 ASP 258 -12.329 -7.698 2.093 1012 HB3 ASP 258 HB3 ASP 258 -12.746 -6.012 1.810 1013 H ASP 259 H ASP 259 -10.176 -8.130 0.507 1014 HA ASP 259 HA ASP 259 -8.606 -6.161 -0.850 1015 HB2 ASP 259 HB2 ASP 259 -8.809 -4.726 0.950 1016 HB3 ASP 259 HB3 ASP 259 -8.898 -6.031 2.126 1017 H GLY 260 H GLY 260 -8.246 -8.417 1.909 1018 HA2 GLY 260 HA3 GLY 260 -7.473 -10.655 1.545 1019 HA3 GLY 260 HA2 GLY 260 -6.638 -10.089 0.109 1020 H PHE 261 H PHE 261 -5.943 -7.786 2.237 1021 HA PHE 261 HA PHE 261 -3.446 -9.113 3.002 1022 HB2 PHE 261 HB3 PHE 261 -3.971 -6.147 2.820 1023 HB3 PHE 261 HB2 PHE 261 -2.411 -6.949 2.949 1024 HD1 PHE 261 HD2 PHE 261 -3.117 -9.142 0.877 1025 HD2 PHE 261 HD1 PHE 261 -3.438 -4.904 0.861 1026 HE1 PHE 261 HE2 PHE 261 -2.959 -9.142 -1.570 1027 HE2 PHE 261 HE1 PHE 261 -3.275 -4.903 -1.587 1028 HZ PHE 261 HZ PHE 261 -3.041 -7.023 -2.810 1029 H VAL 262 H VAL 262 -2.447 -8.018 5.017 1030 HA VAL 262 HA VAL 262 -4.465 -7.117 6.924 1031 HB VAL 262 HB VAL 262 -4.240 -9.595 7.213 1032 HG11 VAL 262 HG21 VAL 262 -2.199 -10.467 8.274 1033 HG12 VAL 262 HG22 VAL 262 -1.420 -8.906 8.015 1034 HG13 VAL 262 HG23 VAL 262 -1.917 -9.883 6.634 1035 HG21 VAL 262 HG13 VAL 262 -4.974 -8.208 9.059 1036 HG22 VAL 262 HG11 VAL 262 -3.300 -7.904 9.523 1037 HG23 VAL 262 HG12 VAL 262 -3.969 -9.531 9.649 1038 H GLU 263 H GLU 263 -3.685 -5.638 8.356 1039 HA GLU 263 HA GLU 263 -1.041 -4.598 7.924 1040 HB2 GLU 263 HB2 GLU 263 -3.107 -3.243 8.514 1041 HB3 GLU 263 HB3 GLU 263 -2.978 -3.901 10.138 1042 HG2 GLU 263 HG3 GLU 263 -0.721 -2.911 10.316 1043 HG3 GLU 263 HG2 GLU 263 -0.960 -2.172 8.731 1044 H VAL 264 H VAL 264 0.743 -5.405 8.877 1045 HA VAL 264 HA VAL 264 0.393 -6.969 11.347 1046 HB VAL 264 HB VAL 264 2.620 -7.210 9.310 1047 HG11 VAL 264 HG21 VAL 264 1.937 -8.947 11.685 1048 HG12 VAL 264 HG22 VAL 264 3.289 -7.819 11.589 1049 HG13 VAL 264 HG23 VAL 264 3.242 -9.231 10.532 1050 HG21 VAL 264 HG13 VAL 264 1.576 -9.354 8.701 1051 HG22 VAL 264 HG11 VAL 264 0.515 -7.984 8.367 1052 HG23 VAL 264 HG12 VAL 264 0.232 -8.995 9.785 1053 H ASP 265 H ASP 265 0.794 -5.558 12.933 1054 HA ASP 265 HA ASP 265 3.226 -3.922 12.767 1055 HB2 ASP 265 HB2 ASP 265 2.174 -2.461 14.455 1056 HB3 ASP 265 HB3 ASP 265 1.200 -2.581 13.009 Start of MODEL 16 1 H2 PRO 1 H2 PRO 1 18.182 -7.931 2.496 2 H3 PRO 1 H3 PRO 1 16.708 -8.367 1.948 3 HA PRO 1 HA PRO 1 17.823 -5.844 2.298 4 HB2 PRO 1 HB3 PRO 1 16.113 -5.427 0.091 5 HB3 PRO 1 HB2 PRO 1 17.855 -5.124 0.164 6 HG2 PRO 1 HG3 PRO 1 16.388 -7.487 -0.874 7 HG3 PRO 1 HG2 PRO 1 17.928 -6.791 -1.410 8 HD2 PRO 1 HD2 PRO 1 17.878 -9.058 -0.006 9 HD3 PRO 1 HD3 PRO 1 19.135 -7.843 0.286 10 H SER 2 H SER 2 16.074 -4.409 2.868 11 HA SER 2 HA SER 2 13.544 -5.825 3.379 12 HB2 SER 2 HB3 SER 2 13.419 -4.480 5.510 13 HB3 SER 2 HB2 SER 2 14.689 -5.695 5.481 14 HG SER 2 HG SER 2 15.700 -3.908 6.186 15 H HIS 3 H HIS 3 15.121 -2.691 2.927 16 HA HIS 3 HA HIS 3 12.496 -1.492 2.463 17 HB2 HIS 3 HB3 HIS 3 13.620 0.678 2.666 18 HB3 HIS 3 HB2 HIS 3 13.905 -0.330 4.075 19 HD1 HIS 3 HD1 HIS 3 16.336 -1.261 4.385 20 HD2 HIS 3 HD2 HIS 3 15.847 1.463 1.283 21 HE1 HIS 3 HE1 HIS 3 18.659 -0.556 3.740 22 HE2 HIS 3 HE2 HIS 3 18.341 1.151 1.907 23 H SER 4 H SER 4 13.941 -3.259 0.630 24 HA SER 4 HA SER 4 13.166 -1.869 -1.737 25 HB2 SER 4 HB3 SER 4 15.300 -2.101 -2.962 26 HB3 SER 4 HB2 SER 4 15.428 -0.975 -1.610 27 HG SER 4 HG SER 4 17.158 -2.626 -1.917 28 H GLY 5 H GLY 5 12.462 -3.302 -3.225 29 HA2 GLY 5 HA3 GLY 5 13.373 -5.976 -3.473 30 HA3 GLY 5 HA2 GLY 5 11.894 -5.917 -2.516 31 H ALA 6 H ALA 6 12.336 -7.052 -5.193 32 HA ALA 6 HA ALA 6 11.244 -5.215 -7.080 33 HB1 ALA 6 HB1 ALA 6 11.570 -8.194 -7.361 34 HB2 ALA 6 HB2 ALA 6 12.816 -6.993 -7.711 35 HB3 ALA 6 HB3 ALA 6 11.331 -7.021 -8.658 36 H ALA 7 H ALA 7 9.144 -4.960 -7.732 37 HA ALA 7 HA ALA 7 7.127 -6.896 -6.855 38 HB1 ALA 7 HB1 ALA 7 7.121 -5.204 -5.108 39 HB2 ALA 7 HB2 ALA 7 5.635 -5.111 -6.059 40 HB3 ALA 7 HB3 ALA 7 6.925 -3.936 -6.316 41 H ILE 8 H ILE 8 5.146 -6.744 -7.973 42 HA ILE 8 HA ILE 8 5.359 -5.589 -10.673 43 HB ILE 8 HB ILE 8 3.559 -7.722 -9.492 44 HG12 ILE 8 HG13 ILE 8 4.505 -9.101 -11.379 45 HG13 ILE 8 HG12 ILE 8 5.638 -7.797 -11.681 46 HG21 ILE 8 HG21 ILE 8 3.406 -6.541 -12.251 47 HG22 ILE 8 HG22 ILE 8 2.243 -6.292 -10.950 48 HG23 ILE 8 HG23 ILE 8 2.456 -7.899 -11.647 49 HD11 ILE 8 HD11 ILE 8 6.556 -8.091 -9.430 50 HD12 ILE 8 HD12 ILE 8 6.671 -9.563 -10.396 51 HD13 ILE 8 HD13 ILE 8 5.425 -9.415 -9.156 52 H PHE 9 H PHE 9 4.515 -3.634 -10.840 53 HA PHE 9 HA PHE 9 2.217 -2.993 -9.141 54 HB2 PHE 9 HB3 PHE 9 4.077 -1.587 -8.597 55 HB3 PHE 9 HB2 PHE 9 4.379 -1.232 -10.291 56 HD1 PHE 9 HD1 PHE 9 1.886 -0.745 -7.580 57 HD2 PHE 9 HD2 PHE 9 3.456 0.635 -11.286 58 HE1 PHE 9 HE1 PHE 9 0.523 1.295 -7.398 59 HE2 PHE 9 HE2 PHE 9 2.091 2.669 -11.112 60 HZ PHE 9 HZ PHE 9 0.621 3.001 -9.168 61 H GLU 10 H GLU 10 0.390 -3.169 -10.235 62 HA GLU 10 HA GLU 10 -1.200 -2.989 -11.829 63 HB2 GLU 10 HB2 GLU 10 0.586 -0.864 -13.022 64 HB3 GLU 10 HB3 GLU 10 -1.117 -1.115 -13.389 65 HG2 GLU 10 HG3 GLU 10 -1.577 -0.709 -10.944 66 HG3 GLU 10 HG2 GLU 10 0.094 -0.173 -10.808 67 H LYS 11 H LYS 11 0.559 -4.969 -12.042 68 HA LYS 11 HA LYS 11 0.684 -6.773 -13.356 69 HB2 LYS 11 HB2 LYS 11 -0.324 -5.121 -15.648 70 HB3 LYS 11 HB3 LYS 11 -0.297 -6.877 -15.533 71 HG2 LYS 11 HG2 LYS 11 -1.841 -5.068 -13.726 72 HG3 LYS 11 HG3 LYS 11 -2.521 -5.921 -15.097 73 HD2 LYS 11 HD2 LYS 11 -2.327 -7.952 -14.050 74 HD3 LYS 11 HD3 LYS 11 -1.100 -7.387 -12.939 75 HE2 LYS 11 HE2 LYS 11 -2.816 -5.940 -11.901 76 HE3 LYS 11 HE3 LYS 11 -4.023 -6.691 -12.939 77 HZ1 LYS 11 HZ1 LYS 11 -2.352 -8.106 -10.936 78 HZ2 LYS 11 HZ2 LYS 11 -3.522 -8.819 -11.924 79 HZ3 LYS 11 HZ3 LYS 11 -3.980 -7.700 -10.746 80 H VAL 12 H VAL 12 2.468 -3.991 -13.858 81 HA VAL 12 HA VAL 12 4.315 -5.399 -15.649 82 HB VAL 12 HB VAL 12 4.180 -3.218 -16.465 83 HG11 VAL 12 HG21 VAL 12 2.885 -2.247 -14.649 84 HG12 VAL 12 HG22 VAL 12 4.232 -1.199 -15.096 85 HG13 VAL 12 HG23 VAL 12 4.329 -2.190 -13.639 86 HG21 VAL 12 HG13 VAL 12 6.322 -2.091 -15.798 87 HG22 VAL 12 HG11 VAL 12 6.485 -3.788 -16.261 88 HG23 VAL 12 HG12 VAL 12 6.502 -3.337 -14.553 89 H SER 13 H SER 13 6.193 -6.214 -14.984 90 HA SER 13 HA SER 13 6.685 -6.410 -12.164 91 HB2 SER 13 HB3 SER 13 7.051 -8.310 -13.739 92 HB3 SER 13 HB2 SER 13 8.374 -7.405 -14.470 93 HG SER 13 HG SER 13 8.327 -8.872 -12.180 94 H GLY 14 H GLY 14 7.951 -5.186 -10.973 95 HA2 GLY 14 HA3 GLY 14 10.187 -3.785 -12.178 96 HA3 GLY 14 HA2 GLY 14 8.937 -2.787 -11.477 97 H ILE 15 H ILE 15 10.595 -1.995 -10.074 98 HA ILE 15 HA ILE 15 11.148 -3.810 -7.860 99 HB ILE 15 HB ILE 15 12.984 -1.587 -8.613 100 HG12 ILE 15 HG13 ILE 15 12.741 -3.187 -10.514 101 HG13 ILE 15 HG12 ILE 15 14.356 -3.081 -9.864 102 HG21 ILE 15 HG21 ILE 15 13.251 -2.444 -6.371 103 HG22 ILE 15 HG22 ILE 15 14.633 -2.913 -7.359 104 HG23 ILE 15 HG23 ILE 15 13.375 -4.089 -6.993 105 HD11 ILE 15 HD11 ILE 15 12.402 -5.262 -9.264 106 HD12 ILE 15 HD12 ILE 15 14.093 -5.189 -8.767 107 HD13 ILE 15 HD13 ILE 15 13.679 -5.341 -10.478 108 H ILE 16 H ILE 16 11.317 -2.853 -5.809 109 HA ILE 16 HA ILE 16 10.070 -0.199 -5.581 110 HB ILE 16 HB ILE 16 9.090 -2.723 -4.645 111 HG12 ILE 16 HG13 ILE 16 8.054 0.071 -4.169 112 HG13 ILE 16 HG12 ILE 16 7.840 -0.823 -5.667 113 HG21 ILE 16 HG21 ILE 16 10.352 -2.330 -2.593 114 HG22 ILE 16 HG22 ILE 16 8.622 -2.162 -2.299 115 HG23 ILE 16 HG23 ILE 16 9.635 -0.725 -2.442 116 HD11 ILE 16 HD11 ILE 16 5.861 -0.928 -4.259 117 HD12 ILE 16 HD12 ILE 16 6.819 -1.655 -2.969 118 HD13 ILE 16 HD13 ILE 16 6.576 -2.523 -4.483 119 H ALA 17 H ALA 17 11.130 1.196 -4.296 120 HA ALA 17 HA ALA 17 13.060 0.103 -2.380 121 HB1 ALA 17 HB1 ALA 17 14.653 1.901 -3.019 122 HB2 ALA 17 HB2 ALA 17 13.612 2.257 -4.406 123 HB3 ALA 17 HB3 ALA 17 14.386 0.672 -4.253 124 H ILE 18 H ILE 18 12.183 0.663 -0.518 125 HA ILE 18 HA ILE 18 11.086 3.284 -0.013 126 HB ILE 18 HB ILE 18 11.779 1.188 2.027 127 HG12 ILE 18 HG13 ILE 18 9.106 1.005 1.874 128 HG13 ILE 18 HG12 ILE 18 9.451 1.406 0.196 129 HG21 ILE 18 HG21 ILE 18 9.919 3.562 2.122 130 HG22 ILE 18 HG22 ILE 18 11.521 3.472 2.861 131 HG23 ILE 18 HG23 ILE 18 10.217 2.422 3.435 132 HD11 ILE 18 HD11 ILE 18 10.444 -0.947 1.753 133 HD12 ILE 18 HD12 ILE 18 11.062 -0.486 0.167 134 HD13 ILE 18 HD13 ILE 18 9.370 -0.932 0.355 135 H ASN 19 H ASN 19 12.572 4.894 0.177 136 HA ASN 19 HA ASN 19 15.048 4.275 1.643 137 HB2 ASN 19 HB2 ASN 19 15.827 4.906 -0.444 138 HB3 ASN 19 HB3 ASN 19 14.502 6.034 -0.707 139 HD21 ASN 19 HD21 ASN 19 14.681 8.105 -0.036 140 HD22 ASN 19 HD22 ASN 19 16.141 8.788 0.595 141 H GLU 20 H GLU 20 15.212 5.184 3.641 142 HA GLU 20 HA GLU 20 13.864 7.795 3.847 143 HB2 GLU 20 HB2 GLU 20 15.106 6.239 6.123 144 HB3 GLU 20 HB3 GLU 20 13.942 7.544 6.216 145 HG2 GLU 20 HG3 GLU 20 12.188 6.158 5.440 146 HG3 GLU 20 HG2 GLU 20 13.316 4.876 5.027 147 H ASP 21 H ASP 21 15.764 8.429 2.434 148 HA ASP 21 HA ASP 21 17.636 9.709 4.305 149 HB2 ASP 21 HB2 ASP 21 18.902 8.503 2.610 150 HB3 ASP 21 HB3 ASP 21 17.919 9.195 1.329 151 H VAL 22 H VAL 22 14.849 9.804 2.759 152 HA VAL 22 HA VAL 22 15.189 12.246 1.195 153 HB VAL 22 HB VAL 22 14.564 10.073 0.147 154 HG11 VAL 22 HG21 VAL 22 12.647 8.906 0.607 155 HG12 VAL 22 HG22 VAL 22 11.868 10.291 1.373 156 HG13 VAL 22 HG23 VAL 22 13.171 9.444 2.206 157 HG21 VAL 22 HG13 VAL 22 13.883 11.896 -1.166 158 HG22 VAL 22 HG11 VAL 22 12.568 12.302 -0.059 159 HG23 VAL 22 HG12 VAL 22 12.464 10.840 -1.044 160 H SER 23 H SER 23 13.180 13.556 0.907 161 HA SER 23 HA SER 23 11.863 14.526 3.148 162 HB2 SER 23 HB3 SER 23 10.691 14.341 0.376 163 HB3 SER 23 HB2 SER 23 10.367 15.567 1.591 164 HG SER 23 HG SER 23 12.574 16.212 1.385 165 HA PRO 24 HA PRO 24 9.408 12.104 5.169 166 HB2 PRO 24 HB3 PRO 24 6.818 11.748 4.151 167 HB3 PRO 24 HB2 PRO 24 7.306 12.974 5.326 168 HG2 PRO 24 HG3 PRO 24 7.064 13.181 2.345 169 HG3 PRO 24 HG2 PRO 24 6.545 14.335 3.583 170 HD2 PRO 24 HD2 PRO 24 8.767 14.816 2.278 171 HD3 PRO 24 HD3 PRO 24 8.804 14.965 4.054 172 H ALA 25 H ALA 25 9.584 9.958 5.333 173 HA ALA 25 HA ALA 25 11.106 8.711 3.573 174 HB1 ALA 25 HB1 ALA 25 10.264 6.490 4.433 175 HB2 ALA 25 HB2 ALA 25 9.161 7.442 5.435 176 HB3 ALA 25 HB3 ALA 25 10.905 7.645 5.603 177 H GLU 26 H GLU 26 11.059 7.442 1.830 178 HA GLU 26 HA GLU 26 8.563 7.667 0.375 179 HB2 GLU 26 HB2 GLU 26 9.654 9.701 -0.079 180 HB3 GLU 26 HB3 GLU 26 11.210 8.929 -0.301 181 HG2 GLU 26 HG3 GLU 26 10.282 7.815 -2.275 182 HG3 GLU 26 HG2 GLU 26 8.841 8.823 -2.108 183 H LEU 27 H LEU 27 8.120 6.088 -0.972 184 HA LEU 27 HA LEU 27 10.075 3.924 -1.405 185 HB2 LEU 27 HB2 LEU 27 8.018 3.157 -0.433 186 HB3 LEU 27 HB3 LEU 27 7.059 4.124 -1.523 187 HG LEU 27 HG LEU 27 8.696 1.770 -2.488 188 HD11 LEU 27 HD11 LEU 27 7.121 1.046 -0.754 189 HD12 LEU 27 HD12 LEU 27 6.668 0.454 -2.354 190 HD13 LEU 27 HD13 LEU 27 5.810 1.826 -1.644 191 HD21 LEU 27 HD21 LEU 27 7.879 3.395 -4.199 192 HD22 LEU 27 HD22 LEU 27 6.229 3.071 -3.666 193 HD23 LEU 27 HD23 LEU 27 7.196 1.782 -4.384 194 H THR 28 H THR 28 10.471 3.279 -3.549 195 HA THR 28 HA THR 28 9.219 4.906 -5.619 196 HB THR 28 HB THR 28 12.200 4.497 -5.455 197 HG1 THR 28 HG1 THR 28 10.583 6.296 -4.271 198 HG21 THR 28 HG21 THR 28 12.227 6.146 -7.291 199 HG22 THR 28 HG22 THR 28 10.458 6.102 -7.323 200 HG23 THR 28 HG23 THR 28 11.392 4.656 -7.733 201 H TRP 29 H TRP 29 8.200 3.481 -6.809 202 HA TRP 29 HA TRP 29 9.347 0.845 -7.245 203 HB2 TRP 29 HB3 TRP 29 6.910 1.023 -6.863 204 HB3 TRP 29 HB2 TRP 29 6.766 2.023 -8.305 205 HD1 TRP 29 HD1 TRP 29 7.335 -1.619 -7.238 206 HE1 TRP 29 HE1 TRP 29 6.972 -3.151 -9.275 207 HE3 TRP 29 HE3 TRP 29 6.833 1.957 -10.856 208 HZ2 TRP 29 HZ2 TRP 29 6.527 -2.872 -12.037 209 HZ3 TRP 29 HZ3 TRP 29 6.441 1.230 -13.169 210 HH2 TRP 29 HH2 TRP 29 6.290 -1.130 -13.747 211 H ARG 30 H ARG 30 10.852 0.691 -8.666 212 HA ARG 30 HA ARG 30 10.683 2.262 -11.148 213 HB2 ARG 30 HB2 ARG 30 12.667 2.858 -9.952 214 HB3 ARG 30 HB3 ARG 30 13.027 1.172 -9.586 215 HG2 ARG 30 HG2 ARG 30 12.867 1.761 -12.435 216 HG3 ARG 30 HG3 ARG 30 14.160 2.622 -11.592 217 HD2 ARG 30 HD2 ARG 30 15.049 0.578 -10.740 218 HD3 ARG 30 HD3 ARG 30 13.682 -0.346 -11.344 219 HE ARG 30 HE ARG 30 14.569 -0.204 -13.508 220 HH11 ARG 30 HH11 ARG 30 16.545 1.517 -11.191 221 HH12 ARG 30 HH12 ARG 30 17.961 1.506 -12.191 222 HH21 ARG 30 HH21 ARG 30 16.466 -0.254 -14.826 223 HH22 ARG 30 HH22 ARG 30 17.914 0.502 -14.249 224 H SER 31 H SER 31 10.090 1.061 -12.875 225 HA SER 31 HA SER 31 9.691 -1.685 -12.745 226 HB2 SER 31 HB3 SER 31 9.253 -1.615 -15.120 227 HB3 SER 31 HB2 SER 31 8.581 -0.168 -14.381 228 HG SER 31 HG SER 31 10.009 -0.125 -16.432 229 H THR 32 H THR 32 10.838 -3.445 -13.505 230 HA THR 32 HA THR 32 13.507 -3.564 -12.897 231 HB THR 32 HB THR 32 12.127 -5.274 -14.981 232 HG1 THR 32 HG1 THR 32 12.352 -5.662 -12.160 233 HG21 THR 32 HG21 THR 32 13.740 -6.990 -14.309 234 HG22 THR 32 HG22 THR 32 14.488 -5.857 -13.184 235 HG23 THR 32 HG23 THR 32 14.571 -5.559 -14.921 236 H ASP 33 H ASP 33 12.014 -2.844 -16.004 237 HA ASP 33 HA ASP 33 14.425 -2.870 -17.531 238 HB2 ASP 33 HB2 ASP 33 12.196 -3.273 -18.515 239 HB3 ASP 33 HB3 ASP 33 11.755 -1.604 -18.173 240 H GLY 34 H GLY 34 12.761 -0.456 -15.659 241 HA2 GLY 34 HA3 GLY 34 13.775 1.512 -14.861 242 HA3 GLY 34 HA2 GLY 34 14.964 1.399 -16.150 243 H ASP 35 H ASP 35 11.577 1.067 -16.866 244 HA ASP 35 HA ASP 35 11.827 3.481 -18.507 245 HB2 ASP 35 HB2 ASP 35 11.394 1.503 -19.805 246 HB3 ASP 35 HB3 ASP 35 10.039 1.086 -18.769 247 H LYS 36 H LYS 36 9.971 1.966 -16.020 248 HA LYS 36 HA LYS 36 8.237 4.336 -15.888 249 HB2 LYS 36 HB2 LYS 36 6.978 2.452 -16.787 250 HB3 LYS 36 HB3 LYS 36 7.476 1.441 -15.441 251 HG2 LYS 36 HG2 LYS 36 6.268 2.922 -13.917 252 HG3 LYS 36 HG3 LYS 36 5.716 3.869 -15.293 253 HD2 LYS 36 HD2 LYS 36 5.232 0.953 -15.325 254 HD3 LYS 36 HD3 LYS 36 4.231 1.962 -14.273 255 HE2 LYS 36 HE2 LYS 36 3.077 1.860 -16.301 256 HE3 LYS 36 HE3 LYS 36 3.842 3.432 -16.301 257 HZ1 LYS 36 HZ1 LYS 36 4.886 1.034 -17.707 258 HZ2 LYS 36 HZ2 LYS 36 5.546 2.591 -17.756 259 HZ3 LYS 36 HZ3 LYS 36 4.031 2.295 -18.438 260 H VAL 37 H VAL 37 8.147 5.294 -13.934 261 HA VAL 37 HA VAL 37 9.164 3.820 -11.593 262 HB VAL 37 HB VAL 37 9.990 6.631 -12.382 263 HG11 VAL 37 HG21 VAL 37 11.421 6.562 -10.396 264 HG12 VAL 37 HG22 VAL 37 10.740 4.994 -9.963 265 HG13 VAL 37 HG23 VAL 37 9.713 6.429 -9.974 266 HG21 VAL 37 HG13 VAL 37 12.247 5.710 -12.551 267 HG22 VAL 37 HG11 VAL 37 11.147 4.910 -13.675 268 HG23 VAL 37 HG12 VAL 37 11.624 4.101 -12.181 269 H HIS 38 H HIS 38 7.789 3.960 -9.953 270 HA HIS 38 HA HIS 38 5.918 6.233 -9.830 271 HB2 HIS 38 HB3 HIS 38 5.039 3.895 -10.567 272 HB3 HIS 38 HB2 HIS 38 5.218 3.503 -8.859 273 HD1 HIS 38 HD1 HIS 38 2.861 4.859 -11.217 274 HD2 HIS 38 HD2 HIS 38 3.645 5.415 -7.172 275 HE1 HIS 38 HE1 HIS 38 0.788 5.907 -10.265 276 HE2 HIS 38 HE2 HIS 38 1.408 6.495 -7.901 277 H THR 39 H THR 39 6.466 7.399 -8.094 278 HA THR 39 HA THR 39 7.762 6.108 -5.822 279 HB THR 39 HB THR 39 7.237 9.038 -6.358 280 HG1 THR 39 HG1 THR 39 9.808 8.406 -6.577 281 HG21 THR 39 HG21 THR 39 9.175 7.724 -4.459 282 HG22 THR 39 HG22 THR 39 7.632 8.437 -3.982 283 HG23 THR 39 HG23 THR 39 8.903 9.456 -4.663 284 H VAL 40 H VAL 40 6.955 6.085 -3.740 285 HA VAL 40 HA VAL 40 4.252 7.189 -3.299 286 HB VAL 40 HB VAL 40 5.484 4.633 -2.294 287 HG11 VAL 40 HG21 VAL 40 4.557 5.610 -0.336 288 HG12 VAL 40 HG22 VAL 40 3.406 4.399 -0.906 289 HG13 VAL 40 HG23 VAL 40 3.108 6.111 -1.204 290 HG21 VAL 40 HG13 VAL 40 2.749 5.038 -3.429 291 HG22 VAL 40 HG11 VAL 40 3.688 3.548 -3.305 292 HG23 VAL 40 HG12 VAL 40 4.160 4.792 -4.470 293 H VAL 41 H VAL 41 4.185 8.753 -1.769 294 HA VAL 41 HA VAL 41 6.431 9.053 0.063 295 HB VAL 41 HB VAL 41 4.029 10.859 -0.338 296 HG11 VAL 41 HG21 VAL 41 4.942 11.076 1.905 297 HG12 VAL 41 HG22 VAL 41 5.343 12.508 0.956 298 HG13 VAL 41 HG23 VAL 41 6.566 11.272 1.250 299 HG21 VAL 41 HG13 VAL 41 5.451 10.806 -2.308 300 HG22 VAL 41 HG11 VAL 41 6.871 11.126 -1.314 301 HG23 VAL 41 HG12 VAL 41 5.614 12.351 -1.475 302 H LEU 42 H LEU 42 6.293 7.812 1.745 303 HA LEU 42 HA LEU 42 4.126 6.486 2.791 304 HB2 LEU 42 HB2 LEU 42 6.720 7.325 4.012 305 HB3 LEU 42 HB3 LEU 42 5.501 6.515 4.979 306 HG LEU 42 HG LEU 42 7.364 5.083 3.977 307 HD11 LEU 42 HD11 LEU 42 5.833 3.229 3.635 308 HD12 LEU 42 HD12 LEU 42 4.485 4.352 3.491 309 HD13 LEU 42 HD13 LEU 42 5.354 4.202 5.020 310 HD21 LEU 42 HD21 LEU 42 7.377 5.944 1.717 311 HD22 LEU 42 HD22 LEU 42 5.690 5.467 1.501 312 HD23 LEU 42 HD23 LEU 42 6.933 4.235 1.710 313 H SER 43 H SER 43 5.040 9.809 3.391 314 HA SER 43 HA SER 43 3.471 10.047 5.776 315 HB2 SER 43 HB3 SER 43 5.360 11.530 5.412 316 HB3 SER 43 HB2 SER 43 4.583 12.193 3.978 317 HG SER 43 HG SER 43 2.810 12.739 5.534 318 H THR 44 H THR 44 2.890 10.499 2.349 319 HA THR 44 HA THR 44 0.257 11.617 2.786 320 HB THR 44 HB THR 44 -0.049 11.389 0.345 321 HG1 THR 44 HG1 THR 44 2.020 9.658 0.600 322 HG21 THR 44 HG21 THR 44 1.721 12.952 -0.343 323 HG22 THR 44 HG22 THR 44 2.584 12.614 1.156 324 HG23 THR 44 HG23 THR 44 1.006 13.400 1.205 325 H ILE 45 H ILE 45 1.607 8.632 3.054 326 HA ILE 45 HA ILE 45 -0.712 7.082 2.345 327 HB ILE 45 HB ILE 45 1.864 6.289 3.684 328 HG12 ILE 45 HG13 ILE 45 2.184 7.120 1.373 329 HG13 ILE 45 HG12 ILE 45 2.526 5.407 1.513 330 HG21 ILE 45 HG21 ILE 45 1.236 4.019 3.205 331 HG22 ILE 45 HG22 ILE 45 -0.255 4.561 2.442 332 HG23 ILE 45 HG23 ILE 45 -0.016 4.792 4.174 333 HD11 ILE 45 HD11 ILE 45 0.256 4.932 0.592 334 HD12 ILE 45 HD12 ILE 45 1.332 5.774 -0.526 335 HD13 ILE 45 HD13 ILE 45 0.065 6.666 0.321 336 H ASP 46 H ASP 46 -2.339 6.667 3.667 337 HA ASP 46 HA ASP 46 -2.359 7.427 6.439 338 HB2 ASP 46 HB2 ASP 46 -4.394 7.653 5.134 339 HB3 ASP 46 HB3 ASP 46 -4.364 5.952 4.712 340 H LYS 47 H LYS 47 -2.239 4.409 4.610 341 HA LYS 47 HA LYS 47 -1.330 2.962 6.954 342 HB2 LYS 47 HB2 LYS 47 -3.914 2.963 6.887 343 HB3 LYS 47 HB3 LYS 47 -3.747 1.910 5.478 344 HG2 LYS 47 HG2 LYS 47 -4.141 0.669 7.555 345 HG3 LYS 47 HG3 LYS 47 -2.586 0.268 6.826 346 HD2 LYS 47 HD2 LYS 47 -1.431 1.646 8.412 347 HD3 LYS 47 HD3 LYS 47 -2.950 2.260 9.061 348 HE2 LYS 47 HE2 LYS 47 -2.170 -0.633 9.104 349 HE3 LYS 47 HE3 LYS 47 -1.821 0.477 10.427 350 HZ1 LYS 47 HZ1 LYS 47 -3.877 -0.842 10.732 351 HZ2 LYS 47 HZ2 LYS 47 -4.545 -0.070 9.380 352 HZ3 LYS 47 HZ3 LYS 47 -4.148 0.833 10.751 353 H LEU 48 H LEU 48 -0.517 0.816 6.386 354 HA LEU 48 HA LEU 48 -0.293 0.371 3.489 355 HB2 LEU 48 HB2 LEU 48 1.906 0.788 4.143 356 HB3 LEU 48 HB3 LEU 48 1.692 -0.034 5.683 357 HG LEU 48 HG LEU 48 1.491 -2.182 4.374 358 HD11 LEU 48 HD11 LEU 48 2.073 -2.294 2.155 359 HD12 LEU 48 HD12 LEU 48 2.909 -0.748 2.197 360 HD13 LEU 48 HD13 LEU 48 1.144 -0.795 2.201 361 HD21 LEU 48 HD21 LEU 48 3.572 -2.443 5.038 362 HD22 LEU 48 HD22 LEU 48 3.716 -0.691 5.213 363 HD23 LEU 48 HD23 LEU 48 4.147 -1.465 3.688 364 H GLN 49 H GLN 49 -0.471 -1.727 2.802 365 HA GLN 49 HA GLN 49 -1.586 -3.678 4.706 366 HB2 GLN 49 HB2 GLN 49 -2.412 -3.290 1.839 367 HB3 GLN 49 HB3 GLN 49 -3.099 -4.439 2.971 368 HG2 GLN 49 HG2 GLN 49 -3.204 -1.488 3.458 369 HG3 GLN 49 HG3 GLN 49 -4.422 -2.321 2.497 370 HE21 GLN 49 HE21 GLN 49 -4.435 -4.730 4.065 371 HE22 GLN 49 HE22 GLN 49 -5.202 -4.345 5.566 372 H ALA 50 H ALA 50 -1.248 -5.862 4.111 373 HA ALA 50 HA ALA 50 0.437 -6.590 1.904 374 HB1 ALA 50 HB1 ALA 50 2.122 -5.676 3.474 375 HB2 ALA 50 HB2 ALA 50 2.317 -7.414 3.231 376 HB3 ALA 50 HB3 ALA 50 1.564 -6.814 4.705 377 H THR 51 H THR 51 0.357 -8.841 1.559 378 HA THR 51 HA THR 51 -1.937 -10.180 2.411 379 HB THR 51 HB THR 51 -0.824 -12.263 1.600 380 HG1 THR 51 HG1 THR 51 1.369 -11.050 2.104 381 HG21 THR 51 HG21 THR 51 -0.511 -11.454 -0.768 382 HG22 THR 51 HG22 THR 51 -0.792 -9.824 -0.150 383 HG23 THR 51 HG23 THR 51 -2.055 -11.047 -0.013 384 HA PRO 52 HA PRO 52 -0.849 -11.505 6.540 385 HB2 PRO 52 HB3 PRO 52 -3.147 -12.889 6.910 386 HB3 PRO 52 HB2 PRO 52 -3.100 -11.126 6.960 387 HG2 PRO 52 HG3 PRO 52 -3.845 -12.928 4.688 388 HG3 PRO 52 HG2 PRO 52 -4.707 -11.531 5.317 389 HD2 PRO 52 HD2 PRO 52 -3.166 -11.349 3.157 390 HD3 PRO 52 HD3 PRO 52 -3.234 -10.033 4.331 391 H ALA 53 H ALA 53 -0.604 -13.593 7.628 392 HA ALA 53 HA ALA 53 0.450 -15.693 6.085 393 HB1 ALA 53 HB1 ALA 53 -0.716 -15.831 8.867 394 HB2 ALA 53 HB2 ALA 53 0.940 -15.374 8.471 395 HB3 ALA 53 HB3 ALA 53 0.372 -17.009 8.133 396 H SER 54 H SER 54 -2.752 -14.780 6.793 397 HA SER 54 HA SER 54 -3.975 -17.321 6.213 398 HB2 SER 54 HB3 SER 54 -5.133 -14.550 6.524 399 HB3 SER 54 HB2 SER 54 -6.068 -16.030 6.368 400 HG SER 54 HG SER 54 -4.621 -16.681 8.276 401 H SER 55 H SER 55 -2.676 -14.840 4.395 402 HA SER 55 HA SER 55 -4.373 -15.264 2.079 403 HB2 SER 55 HB3 SER 55 -3.473 -13.005 2.514 404 HB3 SER 55 HB2 SER 55 -1.837 -13.640 2.386 405 HG SER 55 HG SER 55 -3.792 -13.299 0.380 406 H GLU 56 H GLU 56 -3.704 -16.230 0.177 407 HA GLU 56 HA GLU 56 -1.638 -18.242 0.432 408 HB2 GLU 56 HB2 GLU 56 -3.700 -17.659 -1.641 409 HB3 GLU 56 HB3 GLU 56 -2.498 -18.916 -1.836 410 HG2 GLU 56 HG3 GLU 56 -4.435 -18.764 0.435 411 HG3 GLU 56 HG2 GLU 56 -4.659 -19.710 -1.031 412 H LYS 57 H LYS 57 -1.837 -15.091 -0.606 413 HA LYS 57 HA LYS 57 0.158 -15.449 -2.745 414 HB2 LYS 57 HB2 LYS 57 -1.147 -12.828 -2.436 415 HB3 LYS 57 HB3 LYS 57 -0.779 -13.726 -3.893 416 HG2 LYS 57 HG2 LYS 57 -3.084 -14.317 -2.053 417 HG3 LYS 57 HG3 LYS 57 -3.194 -13.372 -3.535 418 HD2 LYS 57 HD2 LYS 57 -2.371 -16.251 -3.310 419 HD3 LYS 57 HD3 LYS 57 -3.946 -15.678 -3.847 420 HE2 LYS 57 HE2 LYS 57 -2.772 -14.472 -5.697 421 HE3 LYS 57 HE3 LYS 57 -1.294 -15.287 -5.196 422 HZ1 LYS 57 HZ1 LYS 57 -2.400 -17.416 -5.590 423 HZ2 LYS 57 HZ2 LYS 57 -2.337 -16.479 -6.996 424 HZ3 LYS 57 HZ3 LYS 57 -3.781 -16.604 -6.130 425 H MET 58 H MET 58 1.452 -13.238 -2.969 426 HA MET 58 HA MET 58 2.108 -12.137 -0.321 427 HB2 MET 58 HB3 MET 58 4.294 -11.936 -2.210 428 HB3 MET 58 HB2 MET 58 4.324 -12.494 -0.559 429 HG2 MET 58 HG3 MET 58 5.208 -14.178 -2.009 430 HG3 MET 58 HG2 MET 58 3.703 -14.748 -1.320 431 HE1 MET 58 HE1 MET 58 3.658 -16.467 -4.815 432 HE2 MET 58 HE2 MET 58 3.476 -16.688 -3.075 433 HE3 MET 58 HE3 MET 58 5.039 -16.222 -3.745 434 H MET 59 H MET 59 1.326 -10.062 -0.444 435 HA MET 59 HA MET 59 2.112 -8.400 -2.669 436 HB2 MET 59 HB3 MET 59 -0.777 -9.120 -2.243 437 HB3 MET 59 HB2 MET 59 -0.281 -7.705 -3.156 438 HG2 MET 59 HG3 MET 59 1.038 -9.341 -4.599 439 HG3 MET 59 HG2 MET 59 0.117 -10.603 -3.805 440 HE1 MET 59 HE1 MET 59 -2.151 -11.369 -4.479 441 HE2 MET 59 HE2 MET 59 -3.382 -10.362 -5.239 442 HE3 MET 59 HE3 MET 59 -2.808 -9.979 -3.620 443 H LEU 60 H LEU 60 2.051 -6.228 -2.239 444 HA LEU 60 HA LEU 60 1.151 -5.403 0.465 445 HB2 LEU 60 HB2 LEU 60 3.435 -4.724 -1.190 446 HB3 LEU 60 HB3 LEU 60 2.571 -3.299 -0.657 447 HG LEU 60 HG LEU 60 2.751 -4.422 1.696 448 HD11 LEU 60 HD11 LEU 60 4.835 -5.658 1.957 449 HD12 LEU 60 HD12 LEU 60 5.040 -5.679 0.203 450 HD13 LEU 60 HD13 LEU 60 3.677 -6.528 0.945 451 HD21 LEU 60 HD21 LEU 60 3.752 -2.306 1.050 452 HD22 LEU 60 HD22 LEU 60 5.096 -3.168 0.304 453 HD23 LEU 60 HD23 LEU 60 4.845 -3.261 2.049 454 H ARG 61 H ARG 61 0.257 -3.205 0.626 455 HA ARG 61 HA ARG 61 -0.540 -1.782 -1.729 456 HB2 ARG 61 HB2 ARG 61 -2.454 -3.287 -1.514 457 HB3 ARG 61 HB3 ARG 61 -2.690 -2.767 0.144 458 HG2 ARG 61 HG2 ARG 61 -3.162 -0.500 -0.622 459 HG3 ARG 61 HG3 ARG 61 -2.941 -1.024 -2.292 460 HD2 ARG 61 HD2 ARG 61 -5.306 -0.929 -1.699 461 HD3 ARG 61 HD3 ARG 61 -4.803 -2.576 -2.063 462 HE ARG 61 HE ARG 61 -4.870 -1.738 0.735 463 HH11 ARG 61 HH11 ARG 61 -6.398 -3.458 -1.885 464 HH12 ARG 61 HH12 ARG 61 -7.279 -4.538 -0.848 465 HH21 ARG 61 HH21 ARG 61 -6.098 -3.095 2.120 466 HH22 ARG 61 HH22 ARG 61 -7.133 -4.304 1.434 467 H LEU 62 H LEU 62 0.135 0.220 -1.267 468 HA LEU 62 HA LEU 62 0.070 1.165 1.495 469 HB2 LEU 62 HB2 LEU 62 1.556 1.944 -0.963 470 HB3 LEU 62 HB3 LEU 62 1.265 3.185 0.234 471 HG LEU 62 HG LEU 62 2.417 0.557 1.072 472 HD11 LEU 62 HD11 LEU 62 4.664 1.384 0.788 473 HD12 LEU 62 HD12 LEU 62 4.053 2.894 0.105 474 HD13 LEU 62 HD13 LEU 62 3.837 1.381 -0.774 475 HD21 LEU 62 HD21 LEU 62 1.625 2.145 2.750 476 HD22 LEU 62 HD22 LEU 62 2.752 3.348 2.120 477 HD23 LEU 62 HD23 LEU 62 3.364 1.865 2.851 478 H ILE 63 H ILE 63 -1.601 2.250 2.186 479 HA ILE 63 HA ILE 63 -3.651 3.211 0.363 480 HB ILE 63 HB ILE 63 -3.783 3.587 3.329 481 HG12 ILE 63 HG13 ILE 63 -2.936 1.302 3.094 482 HG13 ILE 63 HG12 ILE 63 -4.592 1.311 3.682 483 HG21 ILE 63 HG21 ILE 63 -5.897 2.707 1.383 484 HG22 ILE 63 HG22 ILE 63 -5.575 4.385 1.814 485 HG23 ILE 63 HG23 ILE 63 -6.126 3.249 3.043 486 HD11 ILE 63 HD11 ILE 63 -3.848 0.867 0.819 487 HD12 ILE 63 HD12 ILE 63 -5.419 0.636 1.583 488 HD13 ILE 63 HD13 ILE 63 -4.074 -0.423 1.996 489 H GLY 64 H GLY 64 -3.178 5.258 -0.474 490 HA2 GLY 64 HA3 GLY 64 -1.932 7.271 1.153 491 HA3 GLY 64 HA2 GLY 64 -2.624 7.516 -0.430 492 H LYS 65 H LYS 65 -2.884 9.150 2.030 493 HA LYS 65 HA LYS 65 -5.429 8.825 3.166 494 HB2 LYS 65 HB2 LYS 65 -3.733 11.288 2.776 495 HB3 LYS 65 HB3 LYS 65 -5.297 11.341 3.566 496 HG2 LYS 65 HG2 LYS 65 -4.080 11.082 5.431 497 HG3 LYS 65 HG3 LYS 65 -4.103 9.388 4.986 498 HD2 LYS 65 HD2 LYS 65 -1.947 9.524 4.004 499 HD3 LYS 65 HD3 LYS 65 -1.949 11.282 4.103 500 HE2 LYS 65 HE2 LYS 65 -1.882 9.368 6.421 501 HE3 LYS 65 HE3 LYS 65 -0.535 10.334 5.833 502 HZ1 LYS 65 HZ1 LYS 65 -1.459 11.429 7.716 503 HZ2 LYS 65 HZ2 LYS 65 -3.029 11.313 7.103 504 HZ3 LYS 65 HZ3 LYS 65 -1.903 12.328 6.354 505 H VAL 66 H VAL 66 -7.430 9.319 2.486 506 HA VAL 66 HA VAL 66 -7.777 10.305 -0.222 507 HB VAL 66 HB VAL 66 -9.123 8.428 0.553 508 HG11 VAL 66 HG21 VAL 66 -9.339 8.941 2.893 509 HG12 VAL 66 HG22 VAL 66 -10.949 8.796 2.184 510 HG13 VAL 66 HG23 VAL 66 -10.271 10.390 2.520 511 HG21 VAL 66 HG13 VAL 66 -11.322 9.216 -0.173 512 HG22 VAL 66 HG11 VAL 66 -10.026 9.822 -1.206 513 HG23 VAL 66 HG12 VAL 66 -10.767 10.881 -0.006 514 H ASP 67 H ASP 67 -9.174 12.059 -0.732 515 HA ASP 67 HA ASP 67 -8.898 14.241 1.158 516 HB2 ASP 67 HB2 ASP 67 -9.738 15.545 -0.893 517 HB3 ASP 67 HB3 ASP 67 -8.128 14.863 -0.962 518 H GLU 68 H GLU 68 -10.562 13.266 2.567 519 HA GLU 68 HA GLU 68 -13.300 13.559 1.723 520 HB2 GLU 68 HB2 GLU 68 -11.935 12.712 4.245 521 HB3 GLU 68 HB3 GLU 68 -13.641 13.015 4.200 522 HG2 GLU 68 HG3 GLU 68 -13.895 11.326 2.533 523 HG3 GLU 68 HG2 GLU 68 -12.169 11.016 2.542 524 H SER 69 H SER 69 -11.015 15.120 3.923 525 HA SER 69 HA SER 69 -12.813 16.969 5.051 526 HB2 SER 69 HB3 SER 69 -10.624 18.209 5.604 527 HB3 SER 69 HB2 SER 69 -10.822 16.576 6.242 528 HG SER 69 HG SER 69 -8.759 17.200 5.096 529 H LYS 70 H LYS 70 -10.700 17.093 2.266 530 HA LYS 70 HA LYS 70 -11.927 19.633 1.499 531 HB2 LYS 70 HB2 LYS 70 -10.070 19.735 -0.230 532 HB3 LYS 70 HB3 LYS 70 -9.601 19.977 1.442 533 HG2 LYS 70 HG2 LYS 70 -9.389 17.266 0.200 534 HG3 LYS 70 HG3 LYS 70 -8.149 18.490 -0.092 535 HD2 LYS 70 HD2 LYS 70 -7.909 18.741 2.359 536 HD3 LYS 70 HD3 LYS 70 -9.035 17.411 2.577 537 HE2 LYS 70 HE2 LYS 70 -6.733 16.637 2.763 538 HE3 LYS 70 HE3 LYS 70 -7.543 15.911 1.379 539 HZ1 LYS 70 HZ1 LYS 70 -5.669 18.210 1.265 540 HZ2 LYS 70 HZ2 LYS 70 -6.431 17.494 -0.063 541 HZ3 LYS 70 HZ3 LYS 70 -5.301 16.615 0.837 542 H LYS 71 H LYS 71 -13.854 18.609 0.826 543 HA LYS 71 HA LYS 71 -14.080 16.330 -0.666 544 HB2 LYS 71 HB2 LYS 71 -15.889 18.732 -0.761 545 HB3 LYS 71 HB3 LYS 71 -16.272 17.166 -1.439 546 HG2 LYS 71 HG2 LYS 71 -16.078 16.199 0.832 547 HG3 LYS 71 HG3 LYS 71 -15.858 17.838 1.458 548 HD2 LYS 71 HD2 LYS 71 -18.195 17.054 -0.236 549 HD3 LYS 71 HD3 LYS 71 -18.228 16.911 1.522 550 HE2 LYS 71 HE2 LYS 71 -17.757 19.329 1.667 551 HE3 LYS 71 HE3 LYS 71 -17.786 19.411 -0.093 552 HZ1 LYS 71 HZ1 LYS 71 -19.897 20.103 0.767 553 HZ2 LYS 71 HZ2 LYS 71 -20.057 18.685 1.671 554 HZ3 LYS 71 HZ3 LYS 71 -20.101 18.617 -0.022 555 H ARG 72 H ARG 72 -13.660 15.760 -2.639 556 HA ARG 72 HA ARG 72 -12.580 17.630 -4.521 557 HB2 ARG 72 HB2 ARG 72 -11.783 15.799 -5.607 558 HB3 ARG 72 HB3 ARG 72 -12.129 15.006 -4.079 559 HG2 ARG 72 HG2 ARG 72 -14.051 13.998 -4.921 560 HG3 ARG 72 HG3 ARG 72 -14.092 15.049 -6.340 561 HD2 ARG 72 HD2 ARG 72 -13.174 12.631 -6.588 562 HD3 ARG 72 HD3 ARG 72 -12.312 13.963 -7.360 563 HE ARG 72 HE ARG 72 -11.301 13.533 -4.752 564 HH11 ARG 72 HH11 ARG 72 -11.250 12.115 -7.958 565 HH12 ARG 72 HH12 ARG 72 -9.707 11.354 -7.728 566 HH21 ARG 72 HH21 ARG 72 -9.292 12.513 -4.440 567 HH22 ARG 72 HH22 ARG 72 -8.600 11.574 -5.730 568 H LYS 73 H LYS 73 -13.544 17.395 -6.896 569 HA LYS 73 HA LYS 73 -16.451 17.539 -6.727 570 HB2 LYS 73 HB2 LYS 73 -15.810 19.657 -8.380 571 HB3 LYS 73 HB3 LYS 73 -16.477 19.752 -6.762 572 HG2 LYS 73 HG2 LYS 73 -14.613 21.159 -6.787 573 HG3 LYS 73 HG3 LYS 73 -14.106 19.717 -5.916 574 HD2 LYS 73 HD2 LYS 73 -13.247 18.914 -8.209 575 HD3 LYS 73 HD3 LYS 73 -13.366 20.611 -8.679 576 HE2 LYS 73 HE2 LYS 73 -11.893 21.232 -6.843 577 HE3 LYS 73 HE3 LYS 73 -11.810 19.545 -6.331 578 HZ1 LYS 73 HZ1 LYS 73 -10.814 20.650 -8.896 579 HZ2 LYS 73 HZ2 LYS 73 -10.800 19.011 -8.479 580 HZ3 LYS 73 HZ3 LYS 73 -9.871 20.114 -7.600 581 H ASP 74 H ASP 74 -17.483 17.692 -8.944 582 HA ASP 74 HA ASP 74 -16.053 15.773 -10.603 583 HB2 ASP 74 HB2 ASP 74 -18.566 15.680 -9.802 584 HB3 ASP 74 HB3 ASP 74 -18.816 16.689 -11.219 585 H ASN 75 H ASN 75 -17.272 16.350 -13.105 586 HA ASN 75 HA ASN 75 -15.318 18.142 -14.058 587 HB2 ASN 75 HB2 ASN 75 -16.242 17.820 -16.231 588 HB3 ASN 75 HB3 ASN 75 -16.399 16.297 -15.370 589 HD21 ASN 75 HD21 ASN 75 -18.061 18.953 -16.812 590 HD22 ASN 75 HD22 ASN 75 -19.653 18.289 -16.694 591 H GLU 76 H GLU 76 -18.473 18.756 -12.815 592 HA GLU 76 HA GLU 76 -18.521 21.420 -14.059 593 HB2 GLU 76 HB2 GLU 76 -20.626 19.892 -12.544 594 HB3 GLU 76 HB3 GLU 76 -20.834 21.531 -13.134 595 HG2 GLU 76 HG3 GLU 76 -20.155 19.205 -14.887 596 HG3 GLU 76 HG2 GLU 76 -21.809 19.745 -14.580 597 H GLY 77 H GLY 77 -17.236 20.015 -11.515 598 HA2 GLY 77 HA3 GLY 77 -16.226 20.961 -9.651 599 HA3 GLY 77 HA2 GLY 77 -17.004 22.484 -10.045 600 H ASN 78 H ASN 78 -18.578 19.375 -9.548 601 HA ASN 78 HA ASN 78 -20.499 20.527 -7.793 602 HB2 ASN 78 HB2 ASN 78 -19.963 17.714 -8.694 603 HB3 ASN 78 HB3 ASN 78 -21.289 18.120 -7.604 604 HD21 ASN 78 HD21 ASN 78 -20.132 17.974 -10.767 605 HD22 ASN 78 HD22 ASN 78 -21.524 18.580 -11.560 606 H GLU 79 H GLU 79 -19.437 17.418 -6.944 607 HA GLU 79 HA GLU 79 -17.462 17.812 -5.080 608 HB2 GLU 79 HB2 GLU 79 -18.617 17.736 -2.935 609 HB3 GLU 79 HB3 GLU 79 -19.022 19.202 -3.812 610 HG2 GLU 79 HG3 GLU 79 -21.144 18.174 -4.479 611 HG3 GLU 79 HG2 GLU 79 -20.702 16.744 -3.551 612 H VAL 80 H VAL 80 -16.599 15.898 -5.002 613 HA VAL 80 HA VAL 80 -18.363 13.531 -4.921 614 HB VAL 80 HB VAL 80 -15.565 13.409 -5.972 615 HG11 VAL 80 HG21 VAL 80 -17.999 11.721 -6.496 616 HG12 VAL 80 HG22 VAL 80 -16.657 11.321 -5.425 617 HG13 VAL 80 HG23 VAL 80 -16.391 11.447 -7.163 618 HG21 VAL 80 HG13 VAL 80 -17.999 14.041 -7.640 619 HG22 VAL 80 HG11 VAL 80 -16.399 13.645 -8.271 620 HG23 VAL 80 HG12 VAL 80 -16.638 15.120 -7.333 621 H VAL 81 H VAL 81 -17.731 11.900 -3.523 622 HA VAL 81 HA VAL 81 -15.438 12.528 -1.815 623 HB VAL 81 HB VAL 81 -17.435 12.521 -0.461 624 HG11 VAL 81 HG21 VAL 81 -17.971 9.756 -1.531 625 HG12 VAL 81 HG22 VAL 81 -18.915 11.210 -1.854 626 HG13 VAL 81 HG23 VAL 81 -18.863 10.537 -0.226 627 HG21 VAL 81 HG13 VAL 81 -16.873 10.764 1.163 628 HG22 VAL 81 HG11 VAL 81 -15.444 11.609 0.568 629 HG23 VAL 81 HG12 VAL 81 -15.836 10.001 -0.042 630 HA PRO 82 HA PRO 82 -13.979 9.110 -4.323 631 HB2 PRO 82 HB3 PRO 82 -11.390 9.667 -3.999 632 HB3 PRO 82 HB2 PRO 82 -12.419 10.599 -5.085 633 HG2 PRO 82 HG3 PRO 82 -11.583 11.223 -2.286 634 HG3 PRO 82 HG2 PRO 82 -11.579 12.289 -3.695 635 HD2 PRO 82 HD2 PRO 82 -13.505 12.349 -1.868 636 HD3 PRO 82 HD3 PRO 82 -13.824 12.630 -3.577 637 H LYS 83 H LYS 83 -12.738 7.234 -3.988 638 HA LYS 83 HA LYS 83 -12.304 6.439 -1.231 639 HB2 LYS 83 HB2 LYS 83 -13.102 4.585 -2.261 640 HB3 LYS 83 HB3 LYS 83 -12.552 5.085 -3.848 641 HG2 LYS 83 HG2 LYS 83 -10.569 4.115 -1.840 642 HG3 LYS 83 HG3 LYS 83 -11.591 2.952 -2.680 643 HD2 LYS 83 HD2 LYS 83 -9.815 4.987 -4.029 644 HD3 LYS 83 HD3 LYS 83 -9.395 3.294 -3.775 645 HE2 LYS 83 HE2 LYS 83 -11.372 2.648 -5.119 646 HE3 LYS 83 HE3 LYS 83 -11.679 4.356 -5.435 647 HZ1 LYS 83 HZ1 LYS 83 -10.489 3.371 -7.265 648 HZ2 LYS 83 HZ2 LYS 83 -9.263 2.830 -6.238 649 HZ3 LYS 83 HZ3 LYS 83 -9.485 4.488 -6.488 650 HA PRO 84 HA PRO 84 -8.141 7.788 -0.999 651 HB2 PRO 84 HB3 PRO 84 -7.476 5.205 0.255 652 HB3 PRO 84 HB2 PRO 84 -7.281 6.849 0.867 653 HG2 PRO 84 HG3 PRO 84 -9.191 5.131 1.756 654 HG3 PRO 84 HG2 PRO 84 -9.360 6.897 1.787 655 HD2 PRO 84 HD2 PRO 84 -10.672 4.909 0.024 656 HD3 PRO 84 HD3 PRO 84 -11.187 6.548 0.463 657 H GLN 85 H GLN 85 -6.590 7.744 -2.471 658 HA GLN 85 HA GLN 85 -6.447 5.548 -4.305 659 HB2 GLN 85 HB2 GLN 85 -4.879 6.828 -5.573 660 HB3 GLN 85 HB3 GLN 85 -6.161 7.910 -5.059 661 HG2 GLN 85 HG2 GLN 85 -3.478 7.656 -3.764 662 HG3 GLN 85 HG3 GLN 85 -3.932 8.919 -4.907 663 HE21 GLN 85 HE21 GLN 85 -4.243 7.696 -1.707 664 HE22 GLN 85 HE22 GLN 85 -5.044 9.062 -1.021 665 H ARG 86 H ARG 86 -5.510 3.810 -3.882 666 HA ARG 86 HA ARG 86 -3.295 3.788 -1.966 667 HB2 ARG 86 HB2 ARG 86 -4.895 1.366 -2.763 668 HB3 ARG 86 HB3 ARG 86 -3.940 1.625 -1.305 669 HG2 ARG 86 HG2 ARG 86 -5.570 3.113 -0.418 670 HG3 ARG 86 HG3 ARG 86 -6.468 3.129 -1.934 671 HD2 ARG 86 HD2 ARG 86 -7.044 0.806 -1.669 672 HD3 ARG 86 HD3 ARG 86 -6.033 0.678 -0.238 673 HE ARG 86 HE ARG 86 -7.607 2.099 0.917 674 HH11 ARG 86 HH11 ARG 86 -8.684 0.843 -2.170 675 HH12 ARG 86 HH12 ARG 86 -10.366 0.991 -1.780 676 HH21 ARG 86 HH21 ARG 86 -9.812 2.294 1.427 677 HH22 ARG 86 HH22 ARG 86 -11.015 1.825 0.263 678 H HIS 87 H HIS 87 -1.520 2.455 -2.381 679 HA HIS 87 HA HIS 87 -1.072 1.971 -5.251 680 HB2 HIS 87 HB3 HIS 87 0.999 2.343 -3.077 681 HB3 HIS 87 HB2 HIS 87 1.268 2.376 -4.810 682 HD1 HIS 87 HD1 HIS 87 0.155 4.502 -6.084 683 HD2 HIS 87 HD2 HIS 87 0.440 4.754 -1.948 684 HE1 HIS 87 HE1 HIS 87 -0.114 6.941 -5.532 685 HE2 HIS 87 HE2 HIS 87 0.191 7.086 -3.038 686 H MET 88 H MET 88 -1.278 -0.138 -5.715 687 HA MET 88 HA MET 88 -0.612 -2.079 -3.607 688 HB2 MET 88 HB3 MET 88 -2.975 -2.128 -4.181 689 HB3 MET 88 HB2 MET 88 -2.583 -2.314 -5.886 690 HG2 MET 88 HG3 MET 88 -1.469 -4.461 -5.322 691 HG3 MET 88 HG2 MET 88 -2.065 -4.279 -3.681 692 HE1 MET 88 HE1 MET 88 -5.928 -4.641 -4.103 693 HE2 MET 88 HE2 MET 88 -4.942 -3.195 -3.889 694 HE3 MET 88 HE3 MET 88 -4.598 -4.645 -2.946 695 H PHE 89 H PHE 89 1.175 -3.256 -3.946 696 HA PHE 89 HA PHE 89 1.936 -3.717 -6.754 697 HB2 PHE 89 HB3 PHE 89 3.969 -4.129 -4.663 698 HB3 PHE 89 HB2 PHE 89 4.096 -3.286 -6.202 699 HD1 PHE 89 HD2 PHE 89 3.477 -0.918 -6.379 700 HD2 PHE 89 HD1 PHE 89 3.432 -2.951 -2.648 701 HE1 PHE 89 HE2 PHE 89 3.427 1.244 -5.208 702 HE2 PHE 89 HE1 PHE 89 3.383 -0.796 -1.467 703 HZ PHE 89 HZ PHE 89 3.332 1.303 -2.745 704 H SER 90 H SER 90 2.313 -5.814 -7.378 705 HA SER 90 HA SER 90 1.550 -7.862 -5.458 706 HB2 SER 90 HB3 SER 90 1.936 -8.008 -8.453 707 HB3 SER 90 HB2 SER 90 1.416 -9.352 -7.443 708 HG SER 90 HG SER 90 -0.378 -7.967 -6.808 709 H PHE 91 H PHE 91 3.007 -9.100 -4.501 710 HA PHE 91 HA PHE 91 5.778 -8.943 -5.475 711 HB2 PHE 91 HB3 PHE 91 4.729 -9.590 -2.695 712 HB3 PHE 91 HB2 PHE 91 6.428 -9.490 -3.149 713 HD1 PHE 91 HD1 PHE 91 3.366 -7.357 -3.470 714 HD2 PHE 91 HD2 PHE 91 7.498 -7.559 -2.583 715 HE1 PHE 91 HE1 PHE 91 3.389 -4.948 -2.942 716 HE2 PHE 91 HE2 PHE 91 7.516 -5.173 -2.077 717 HZ PHE 91 HZ PHE 91 5.374 -3.834 -2.385 718 H ASN 92 H ASN 92 7.113 -10.951 -4.856 719 HA ASN 92 HA ASN 92 5.552 -13.281 -5.767 720 HB2 ASN 92 HB2 ASN 92 8.430 -12.572 -6.358 721 HB3 ASN 92 HB3 ASN 92 7.617 -14.034 -6.901 722 HD21 ASN 92 HD21 ASN 92 5.114 -12.745 -7.566 723 HD22 ASN 92 HD22 ASN 92 5.406 -11.805 -8.985 724 H ASN 93 H ASN 93 7.124 -12.049 -3.176 725 HA ASN 93 HA ASN 93 7.506 -14.712 -2.051 726 HB2 ASN 93 HB2 ASN 93 9.704 -13.895 -2.997 727 HB3 ASN 93 HB3 ASN 93 9.630 -12.554 -1.868 728 HD21 ASN 93 HD21 ASN 93 11.624 -14.656 -2.127 729 HD22 ASN 93 HD22 ASN 93 11.696 -15.442 -0.588 730 H ARG 94 H ARG 94 6.781 -14.860 -0.062 731 HA ARG 94 HA ARG 94 5.327 -12.729 1.083 732 HB2 ARG 94 HB2 ARG 94 4.654 -15.040 1.426 733 HB3 ARG 94 HB3 ARG 94 6.150 -15.373 2.272 734 HG2 ARG 94 HG2 ARG 94 4.648 -15.106 3.991 735 HG3 ARG 94 HG3 ARG 94 5.403 -13.514 3.882 736 HD2 ARG 94 HD2 ARG 94 3.477 -12.932 2.304 737 HD3 ARG 94 HD3 ARG 94 2.705 -14.383 2.931 738 HE ARG 94 HE ARG 94 2.804 -11.878 4.192 739 HH11 ARG 94 HH11 ARG 94 3.081 -15.288 4.975 740 HH12 ARG 94 HH12 ARG 94 2.674 -15.058 6.646 741 HH21 ARG 94 HH21 ARG 94 2.232 -11.588 6.368 742 HH22 ARG 94 HH22 ARG 94 2.175 -12.957 7.435 743 H THR 95 H THR 95 8.572 -13.924 1.551 744 HA THR 95 HA THR 95 9.038 -12.641 4.049 745 HB THR 95 HB THR 95 10.938 -13.626 1.919 746 HG1 THR 95 HG1 THR 95 9.726 -15.208 3.145 747 HG21 THR 95 HG21 THR 95 11.952 -11.791 3.173 748 HG22 THR 95 HG22 THR 95 12.722 -13.334 3.552 749 HG23 THR 95 HG23 THR 95 11.579 -12.618 4.686 750 H VAL 96 H VAL 96 9.841 -11.816 0.710 751 HA VAL 96 HA VAL 96 11.017 -9.326 1.169 752 HB VAL 96 HB VAL 96 9.356 -10.216 -1.210 753 HG11 VAL 96 HG21 VAL 96 11.351 -7.964 -0.877 754 HG12 VAL 96 HG22 VAL 96 9.632 -7.823 -1.238 755 HG13 VAL 96 HG23 VAL 96 10.731 -8.513 -2.434 756 HG21 VAL 96 HG13 VAL 96 11.559 -10.772 -2.208 757 HG22 VAL 96 HG11 VAL 96 11.200 -11.738 -0.775 758 HG23 VAL 96 HG12 VAL 96 12.330 -10.390 -0.667 759 H MET 97 H MET 97 7.650 -10.053 0.273 760 HA MET 97 HA MET 97 6.842 -7.366 0.489 761 HB2 MET 97 HB3 MET 97 4.620 -8.188 0.297 762 HB3 MET 97 HB2 MET 97 5.659 -9.222 -0.688 763 HG2 MET 97 HG3 MET 97 4.798 -10.953 0.334 764 HG3 MET 97 HG2 MET 97 5.592 -10.421 1.820 765 HE1 MET 97 HE1 MET 97 4.347 -10.166 3.891 766 HE2 MET 97 HE2 MET 97 2.827 -9.283 4.051 767 HE3 MET 97 HE3 MET 97 4.258 -8.470 3.415 768 H ASP 98 H ASP 98 7.405 -9.858 2.819 769 HA ASP 98 HA ASP 98 6.042 -8.666 5.015 770 HB2 ASP 98 HB2 ASP 98 6.812 -11.036 4.956 771 HB3 ASP 98 HB3 ASP 98 8.486 -10.458 5.004 772 H ASN 99 H ASN 99 9.251 -8.481 3.649 773 HA ASN 99 HA ASN 99 10.261 -6.909 5.846 774 HB2 ASN 99 HB2 ASN 99 12.413 -7.057 4.728 775 HB3 ASN 99 HB3 ASN 99 11.650 -8.619 4.763 776 HD21 ASN 99 HD21 ASN 99 12.490 -9.635 3.221 777 HD22 ASN 99 HD22 ASN 99 12.479 -9.159 1.570 778 H ILE 100 H ILE 100 9.226 -6.408 2.575 779 HA ILE 100 HA ILE 100 9.777 -3.636 2.405 780 HB ILE 100 HB ILE 100 7.655 -5.342 1.084 781 HG12 ILE 100 HG13 ILE 100 10.032 -5.778 0.509 782 HG13 ILE 100 HG12 ILE 100 9.083 -5.209 -0.862 783 HG21 ILE 100 HG21 ILE 100 6.907 -3.004 1.223 784 HG22 ILE 100 HG22 ILE 100 7.239 -3.502 -0.436 785 HG23 ILE 100 HG23 ILE 100 8.396 -2.498 0.433 786 HD11 ILE 100 HD11 ILE 100 11.057 -3.651 0.771 787 HD12 ILE 100 HD12 ILE 100 9.958 -2.915 -0.398 788 HD13 ILE 100 HD13 ILE 100 11.164 -4.092 -0.935 789 H LYS 101 H LYS 101 6.804 -5.398 3.299 790 HA LYS 101 HA LYS 101 5.240 -3.205 3.953 791 HB2 LYS 101 HB2 LYS 101 4.033 -5.179 3.906 792 HB3 LYS 101 HB3 LYS 101 5.239 -6.069 4.848 793 HG2 LYS 101 HG2 LYS 101 4.440 -4.283 6.684 794 HG3 LYS 101 HG3 LYS 101 2.966 -4.399 5.731 795 HD2 LYS 101 HD2 LYS 101 2.708 -6.027 7.389 796 HD3 LYS 101 HD3 LYS 101 3.228 -6.933 5.969 797 HE2 LYS 101 HE2 LYS 101 4.435 -7.772 7.835 798 HE3 LYS 101 HE3 LYS 101 5.577 -6.828 6.875 799 HZ1 LYS 101 HZ1 LYS 101 4.231 -5.976 9.384 800 HZ2 LYS 101 HZ2 LYS 101 5.240 -4.989 8.458 801 HZ3 LYS 101 HZ3 LYS 101 5.863 -6.371 9.202 802 H MET 102 H MET 102 7.381 -5.126 6.081 803 HA MET 102 HA MET 102 6.718 -3.699 8.419 804 HB2 MET 102 HB3 MET 102 8.543 -4.821 9.484 805 HB3 MET 102 HB2 MET 102 7.770 -5.950 8.388 806 HG2 MET 102 HG3 MET 102 9.919 -6.394 7.914 807 HG3 MET 102 HG2 MET 102 9.642 -5.110 6.748 808 HE1 MET 102 HE1 MET 102 11.923 -4.631 10.723 809 HE2 MET 102 HE2 MET 102 11.311 -6.161 10.093 810 HE3 MET 102 HE3 MET 102 10.188 -4.925 10.657 811 H THR 103 H THR 103 8.981 -3.071 5.878 812 HA THR 103 HA THR 103 10.540 -1.111 7.171 813 HB THR 103 HB THR 103 9.830 -1.558 4.268 814 HG1 THR 103 HG1 THR 103 11.256 -3.092 4.695 815 HG21 THR 103 HG21 THR 103 10.344 0.799 4.622 816 HG22 THR 103 HG22 THR 103 11.600 -0.026 3.682 817 HG23 THR 103 HG23 THR 103 11.873 0.345 5.387 818 H LEU 104 H LEU 104 7.649 -0.946 5.152 819 HA LEU 104 HA LEU 104 7.441 1.885 5.271 820 HB2 LEU 104 HB2 LEU 104 5.358 -0.174 4.546 821 HB3 LEU 104 HB3 LEU 104 5.266 1.533 4.201 822 HG LEU 104 HG LEU 104 7.553 -0.032 3.094 823 HD11 LEU 104 HD11 LEU 104 5.747 -1.431 2.484 824 HD12 LEU 104 HD12 LEU 104 6.163 -0.455 1.075 825 HD13 LEU 104 HD13 LEU 104 4.751 -0.046 2.048 826 HD21 LEU 104 HD21 LEU 104 7.355 1.558 1.283 827 HD22 LEU 104 HD22 LEU 104 7.495 2.388 2.830 828 HD23 LEU 104 HD23 LEU 104 5.920 2.243 2.045 829 H GLN 105 H GLN 105 5.375 -0.644 6.621 830 HA GLN 105 HA GLN 105 3.636 0.693 8.154 831 HB2 GLN 105 HB2 GLN 105 5.129 -1.737 9.046 832 HB3 GLN 105 HB3 GLN 105 3.615 -1.162 9.734 833 HG2 GLN 105 HG2 GLN 105 3.929 -1.831 6.844 834 HG3 GLN 105 HG3 GLN 105 3.494 -3.007 8.053 835 HE21 GLN 105 HE21 GLN 105 1.601 -3.351 6.884 836 HE22 GLN 105 HE22 GLN 105 0.257 -2.273 7.010 837 H GLN 106 H GLN 106 7.033 0.259 8.961 838 HA GLN 106 HA GLN 106 6.864 1.128 11.646 839 HB2 GLN 106 HB2 GLN 106 9.023 0.805 9.633 840 HB3 GLN 106 HB3 GLN 106 9.364 1.660 11.110 841 HG2 GLN 106 HG2 GLN 106 8.708 -0.305 12.405 842 HG3 GLN 106 HG3 GLN 106 8.359 -1.161 10.902 843 HE21 GLN 106 HE21 GLN 106 10.036 -1.907 9.642 844 HE22 GLN 106 HE22 GLN 106 11.672 -1.961 10.206 845 H ILE 107 H ILE 107 7.595 2.611 8.598 846 HA ILE 107 HA ILE 107 8.062 5.280 9.431 847 HB ILE 107 HB ILE 107 7.036 4.158 6.809 848 HG12 ILE 107 HG13 ILE 107 9.881 4.839 7.522 849 HG13 ILE 107 HG12 ILE 107 9.226 3.218 7.650 850 HG21 ILE 107 HG21 ILE 107 8.361 6.788 7.392 851 HG22 ILE 107 HG22 ILE 107 6.656 6.533 7.005 852 HG23 ILE 107 HG23 ILE 107 7.893 6.183 5.801 853 HD11 ILE 107 HD11 ILE 107 10.510 3.598 5.592 854 HD12 ILE 107 HD12 ILE 107 9.344 4.832 5.118 855 HD13 ILE 107 HD13 ILE 107 8.835 3.154 5.280 856 H ILE 108 H ILE 108 5.212 3.527 8.284 857 HA ILE 108 HA ILE 108 3.502 5.744 7.990 858 HB ILE 108 HB ILE 108 2.618 2.959 8.738 859 HG12 ILE 108 HG13 ILE 108 4.218 3.855 6.515 860 HG13 ILE 108 HG12 ILE 108 3.796 2.224 6.976 861 HG21 ILE 108 HG21 ILE 108 0.759 3.536 7.150 862 HG22 ILE 108 HG22 ILE 108 1.378 5.188 7.135 863 HG23 ILE 108 HG23 ILE 108 0.799 4.473 8.638 864 HD11 ILE 108 HD11 ILE 108 3.035 2.493 4.795 865 HD12 ILE 108 HD12 ILE 108 2.352 4.083 5.137 866 HD13 ILE 108 HD13 ILE 108 1.588 2.632 5.798 867 H SER 109 H SER 109 3.534 3.331 10.607 868 HA SER 109 HA SER 109 1.939 4.659 12.438 869 HB2 SER 109 HB3 SER 109 4.386 3.021 13.126 870 HB3 SER 109 HB2 SER 109 2.938 3.248 14.110 871 HG SER 109 HG SER 109 3.375 1.587 11.935 872 H ARG 110 H ARG 110 5.240 5.247 11.540 873 HA ARG 110 HA ARG 110 5.973 6.910 13.728 874 HB2 ARG 110 HB2 ARG 110 7.106 6.104 11.138 875 HB3 ARG 110 HB3 ARG 110 7.696 7.619 11.755 876 HG2 ARG 110 HG2 ARG 110 8.429 6.507 13.775 877 HG3 ARG 110 HG3 ARG 110 7.718 5.002 13.180 878 HD2 ARG 110 HD2 ARG 110 9.202 5.065 11.248 879 HD3 ARG 110 HD3 ARG 110 9.927 6.543 11.857 880 HE ARG 110 HE ARG 110 10.377 4.920 13.902 881 HH11 ARG 110 HH11 ARG 110 10.759 4.368 10.472 882 HH12 ARG 110 HH12 ARG 110 12.028 3.200 10.663 883 HH21 ARG 110 HH21 ARG 110 12.081 3.403 14.165 884 HH22 ARG 110 HH22 ARG 110 12.783 2.657 12.764 885 H TYR 111 H TYR 111 4.367 7.381 10.694 886 HA TYR 111 HA TYR 111 4.637 10.267 10.902 887 HB2 TYR 111 HB3 TYR 111 3.874 8.404 8.730 888 HB3 TYR 111 HB2 TYR 111 3.195 10.026 8.679 889 HD1 TYR 111 HD2 TYR 111 4.770 12.002 8.685 890 HD2 TYR 111 HD1 TYR 111 6.109 8.013 8.181 891 HE1 TYR 111 HE2 TYR 111 6.911 12.839 7.813 892 HE2 TYR 111 HE1 TYR 111 8.260 8.829 7.314 893 HH TYR 111 HH TYR 111 9.189 12.118 7.548 894 H LYS 112 H LYS 112 2.328 7.770 11.460 895 HA LYS 112 HA LYS 112 0.082 9.563 11.664 896 HB2 LYS 112 HB2 LYS 112 0.399 6.732 12.707 897 HB3 LYS 112 HB3 LYS 112 -1.109 7.633 12.575 898 HG2 LYS 112 HG2 LYS 112 -1.234 7.363 10.331 899 HG3 LYS 112 HG3 LYS 112 0.521 7.320 10.127 900 HD2 LYS 112 HD2 LYS 112 -0.402 5.134 9.705 901 HD3 LYS 112 HD3 LYS 112 0.562 5.103 11.170 902 HE2 LYS 112 HE2 LYS 112 -1.462 3.872 11.508 903 HE3 LYS 112 HE3 LYS 112 -1.476 5.316 12.505 904 HZ1 LYS 112 HZ1 LYS 112 -2.888 5.017 9.908 905 HZ2 LYS 112 HZ2 LYS 112 -2.910 6.388 10.898 906 HZ3 LYS 112 HZ3 LYS 112 -3.613 4.949 11.435 907 H ASP 113 H ASP 113 2.586 8.350 13.708 908 HA ASP 113 HA ASP 113 1.606 9.316 16.187 909 HB2 ASP 113 HB2 ASP 113 3.390 7.733 16.232 910 HB3 ASP 113 HB3 ASP 113 4.372 8.704 15.143 911 H ALA 114 H ALA 114 2.832 10.806 13.403 912 HA ALA 114 HA ALA 114 3.096 13.372 14.820 913 HB1 ALA 114 HB1 ALA 114 4.368 12.513 12.222 914 HB2 ALA 114 HB2 ALA 114 5.186 12.697 13.773 915 HB3 ALA 114 HB3 ALA 114 4.517 14.107 12.956 916 H ASP 115 H ASP 115 0.697 11.947 13.698 917 HA ASP 115 HA ASP 115 -0.149 14.024 11.784 918 HB2 ASP 115 HB2 ASP 115 0.147 11.648 10.856 919 HB3 ASP 115 HB3 ASP 115 -1.250 11.218 11.828 920 H1 GLY 242 H1 GLY 242 -13.265 -19.011 10.164 921 H2 GLY 242 H2 GLY 242 -12.190 -19.563 8.979 922 H3 GLY 242 H3 GLY 242 -13.129 -20.668 9.851 923 HA2 GLY 242 HA2 GLY 242 -14.026 -20.365 7.639 924 HA3 GLY 242 HA3 GLY 242 -15.143 -19.799 8.873 925 H GLY 243 H GLY 243 -16.211 -18.291 7.655 926 HA2 GLY 243 HA3 GLY 243 -15.628 -15.713 7.551 927 HA3 GLY 243 HA2 GLY 243 -14.665 -16.290 6.196 928 H GLY 244 H GLY 244 -16.322 -18.247 5.186 929 HA2 GLY 244 HA3 GLY 244 -18.779 -16.760 4.488 930 HA3 GLY 244 HA2 GLY 244 -17.814 -17.588 3.274 931 H GLY 245 H GLY 245 -17.215 -19.926 4.731 932 HA2 GLY 245 HA3 GLY 245 -19.912 -21.110 5.001 933 HA3 GLY 245 HA2 GLY 245 -18.548 -21.959 4.291 934 H TYR 246 H TYR 246 -20.209 -22.771 6.536 935 HA TYR 246 HA TYR 246 -18.326 -22.569 8.773 936 HB2 TYR 246 HB3 TYR 246 -20.108 -23.328 10.210 937 HB3 TYR 246 HB2 TYR 246 -20.726 -22.029 9.200 938 HD1 TYR 246 HD2 TYR 246 -22.361 -22.506 7.428 939 HD2 TYR 246 HD1 TYR 246 -20.948 -25.579 10.006 940 HE1 TYR 246 HE2 TYR 246 -24.227 -23.948 6.727 941 HE2 TYR 246 HE1 TYR 246 -22.810 -27.024 9.315 942 HH TYR 246 HH TYR 246 -24.748 -26.369 6.630 943 H ASP 247 H ASP 247 -19.198 -24.630 6.278 944 HA ASP 247 HA ASP 247 -18.693 -27.115 7.656 945 HB2 ASP 247 HB2 ASP 247 -19.139 -26.451 4.747 946 HB3 ASP 247 HB3 ASP 247 -18.754 -28.075 5.302 947 H VAL 248 H VAL 248 -16.660 -26.900 8.478 948 HA VAL 248 HA VAL 248 -14.408 -26.756 8.580 949 HB VAL 248 HB VAL 248 -13.242 -28.517 7.342 950 HG11 VAL 248 HG21 VAL 248 -14.531 -30.405 8.252 951 HG12 VAL 248 HG22 VAL 248 -15.894 -29.318 8.514 952 HG13 VAL 248 HG23 VAL 248 -14.385 -29.065 9.389 953 HG21 VAL 248 HG13 VAL 248 -14.479 -30.032 5.859 954 HG22 VAL 248 HG11 VAL 248 -14.382 -28.402 5.193 955 HG23 VAL 248 HG12 VAL 248 -15.877 -28.961 5.942 956 H GLU 249 H GLU 249 -15.197 -24.542 7.214 957 HA GLU 249 HA GLU 249 -13.369 -24.318 4.953 958 HB2 GLU 249 HB2 GLU 249 -15.558 -23.273 4.681 959 HB3 GLU 249 HB3 GLU 249 -15.295 -22.301 6.122 960 HG2 GLU 249 HG3 GLU 249 -13.437 -21.164 5.030 961 HG3 GLU 249 HG2 GLU 249 -13.674 -22.149 3.589 962 H MET 250 H MET 250 -11.355 -23.929 5.357 963 HA MET 250 HA MET 250 -10.615 -21.830 7.252 964 HB2 MET 250 HB3 MET 250 -10.547 -24.045 8.452 965 HB3 MET 250 HB2 MET 250 -9.320 -24.563 7.308 966 HG2 MET 250 HG3 MET 250 -7.891 -22.694 8.068 967 HG3 MET 250 HG2 MET 250 -9.103 -22.313 9.288 968 HE1 MET 250 HE1 MET 250 -9.030 -25.547 11.517 969 HE2 MET 250 HE2 MET 250 -10.079 -25.245 10.133 970 HE3 MET 250 HE3 MET 250 -9.754 -23.956 11.290 971 H GLU 251 H GLU 251 -10.553 -22.919 4.261 972 HA GLU 251 HA GLU 251 -7.831 -23.001 3.555 973 HB2 GLU 251 HB2 GLU 251 -8.827 -22.661 1.216 974 HB3 GLU 251 HB3 GLU 251 -9.251 -24.120 2.093 975 HG2 GLU 251 HG3 GLU 251 -11.040 -21.808 2.407 976 HG3 GLU 251 HG2 GLU 251 -11.027 -22.588 0.828 977 H SER 252 H SER 252 -6.481 -21.491 2.825 978 HA SER 252 HA SER 252 -7.014 -18.816 3.670 979 HB2 SER 252 HB3 SER 252 -4.605 -19.964 2.245 980 HB3 SER 252 HB2 SER 252 -4.672 -18.420 3.098 981 HG SER 252 HG SER 252 -4.133 -20.823 4.090 982 H GLU 253 H GLU 253 -7.338 -20.469 0.699 983 HA GLU 253 HA GLU 253 -6.742 -18.515 -1.186 984 HB2 GLU 253 HB2 GLU 253 -7.259 -20.919 -1.635 985 HB3 GLU 253 HB3 GLU 253 -8.956 -20.568 -1.336 986 HG2 GLU 253 HG3 GLU 253 -8.807 -20.508 -3.636 987 HG3 GLU 253 HG2 GLU 253 -8.697 -18.812 -3.178 988 H GLU 254 H GLU 254 -9.558 -18.924 0.843 989 HA GLU 254 HA GLU 254 -11.252 -17.162 -0.647 990 HB2 GLU 254 HB2 GLU 254 -11.535 -18.289 2.140 991 HB3 GLU 254 HB3 GLU 254 -12.795 -17.431 1.269 992 HG2 GLU 254 HG3 GLU 254 -11.546 -20.037 0.449 993 HG3 GLU 254 HG2 GLU 254 -13.135 -19.813 1.179 994 H GLU 255 H GLU 255 -8.847 -16.736 1.743 995 HA GLU 255 HA GLU 255 -9.882 -14.311 2.866 996 HB2 GLU 255 HB2 GLU 255 -7.258 -15.750 3.076 997 HB3 GLU 255 HB3 GLU 255 -7.503 -14.167 3.805 998 HG2 GLU 255 HG3 GLU 255 -9.125 -16.630 4.370 999 HG3 GLU 255 HG2 GLU 255 -7.856 -15.971 5.407 1000 H SER 256 H SER 256 -8.345 -15.049 -0.013 1001 HA SER 256 HA SER 256 -7.884 -12.196 -0.465 1002 HB2 SER 256 HB3 SER 256 -5.932 -14.372 -1.247 1003 HB3 SER 256 HB2 SER 256 -5.777 -12.662 -1.644 1004 HG SER 256 HG SER 256 -6.044 -12.529 0.849 1005 H ASP 257 H ASP 257 -9.732 -12.039 -1.703 1006 HA ASP 257 HA ASP 257 -10.253 -13.906 -3.844 1007 HB2 ASP 257 HB2 ASP 257 -11.558 -11.207 -3.403 1008 HB3 ASP 257 HB3 ASP 257 -12.200 -12.560 -4.322 1009 H ASP 258 H ASP 258 -10.089 -10.361 -3.995 1010 HA ASP 258 HA ASP 258 -8.589 -10.496 -6.489 1011 HB2 ASP 258 HB2 ASP 258 -10.443 -8.858 -6.269 1012 HB3 ASP 258 HB3 ASP 258 -9.573 -8.078 -4.954 1013 H ASP 259 H ASP 259 -8.329 -8.764 -3.449 1014 HA ASP 259 HA ASP 259 -5.406 -8.899 -3.608 1015 HB2 ASP 259 HB2 ASP 259 -5.490 -6.867 -2.139 1016 HB3 ASP 259 HB3 ASP 259 -6.165 -6.626 -3.741 1017 H GLY 260 H GLY 260 -7.197 -7.944 -0.732 1018 HA2 GLY 260 HA3 GLY 260 -7.889 -9.198 1.067 1019 HA3 GLY 260 HA2 GLY 260 -7.181 -10.635 0.355 1020 H PHE 261 H PHE 261 -5.797 -7.496 1.270 1021 HA PHE 261 HA PHE 261 -3.623 -8.915 2.595 1022 HB2 PHE 261 HB3 PHE 261 -3.822 -5.945 2.152 1023 HB3 PHE 261 HB2 PHE 261 -2.373 -6.909 2.409 1024 HD1 PHE 261 HD2 PHE 261 -3.102 -9.128 0.463 1025 HD2 PHE 261 HD1 PHE 261 -3.197 -4.894 0.155 1026 HE1 PHE 261 HE2 PHE 261 -2.844 -9.306 -1.960 1027 HE2 PHE 261 HE1 PHE 261 -2.936 -5.068 -2.276 1028 HZ PHE 261 HZ PHE 261 -2.768 -7.273 -3.348 1029 H VAL 262 H VAL 262 -2.777 -7.848 4.612 1030 HA VAL 262 HA VAL 262 -4.900 -6.583 6.205 1031 HB VAL 262 HB VAL 262 -4.543 -9.081 6.742 1032 HG11 VAL 262 HG21 VAL 262 -2.128 -9.142 6.647 1033 HG12 VAL 262 HG22 VAL 262 -2.674 -9.569 8.269 1034 HG13 VAL 262 HG23 VAL 262 -2.020 -7.963 7.953 1035 HG21 VAL 262 HG13 VAL 262 -4.744 -8.685 9.170 1036 HG22 VAL 262 HG11 VAL 262 -5.777 -7.622 8.214 1037 HG23 VAL 262 HG12 VAL 262 -4.279 -7.004 8.909 1038 H GLU 263 H GLU 263 -3.980 -5.369 8.059 1039 HA GLU 263 HA GLU 263 -1.260 -4.464 7.472 1040 HB2 GLU 263 HB2 GLU 263 -2.023 -2.631 9.218 1041 HB3 GLU 263 HB3 GLU 263 -2.441 -2.511 7.517 1042 HG2 GLU 263 HG3 GLU 263 -4.424 -2.007 8.570 1043 HG3 GLU 263 HG2 GLU 263 -4.615 -3.716 8.197 1044 H VAL 264 H VAL 264 0.330 -4.596 8.977 1045 HA VAL 264 HA VAL 264 0.047 -6.665 10.890 1046 HB VAL 264 HB VAL 264 2.172 -6.402 9.756 1047 HG11 VAL 264 HG21 VAL 264 3.620 -4.483 10.108 1048 HG12 VAL 264 HG22 VAL 264 2.402 -3.721 11.128 1049 HG13 VAL 264 HG23 VAL 264 2.083 -3.974 9.412 1050 HG21 VAL 264 HG13 VAL 264 2.239 -7.355 11.994 1051 HG22 VAL 264 HG11 VAL 264 2.409 -5.746 12.697 1052 HG23 VAL 264 HG12 VAL 264 3.694 -6.407 11.686 1053 H ASP 265 H ASP 265 -1.155 -6.345 12.607 1054 HA ASP 265 HA ASP 265 -0.758 -3.909 14.203 1055 HB2 ASP 265 HB2 ASP 265 -2.885 -3.727 13.012 1056 HB3 ASP 265 HB3 ASP 265 -3.378 -5.292 13.613 Start of MODEL 17 1 H2 PRO 1 H2 PRO 1 17.749 -8.363 2.795 2 H3 PRO 1 H3 PRO 1 16.427 -8.454 3.750 3 HA PRO 1 HA PRO 1 17.129 -6.420 2.286 4 HB2 PRO 1 HB3 PRO 1 14.678 -6.946 0.862 5 HB3 PRO 1 HB2 PRO 1 16.274 -6.554 0.205 6 HG2 PRO 1 HG3 PRO 1 15.097 -9.011 -0.034 7 HG3 PRO 1 HG2 PRO 1 16.849 -8.747 -0.048 8 HD2 PRO 1 HD2 PRO 1 15.086 -9.656 2.205 9 HD3 PRO 1 HD3 PRO 1 16.681 -10.255 1.720 10 H SER 2 H SER 2 15.174 -4.813 2.193 11 HA SER 2 HA SER 2 12.862 -5.399 3.716 12 HB2 SER 2 HB3 SER 2 13.335 -3.881 5.637 13 HB3 SER 2 HB2 SER 2 14.366 -5.304 5.625 14 HG SER 2 HG SER 2 15.917 -3.891 5.770 15 H HIS 3 H HIS 3 15.105 -2.807 2.826 16 HA HIS 3 HA HIS 3 12.845 -1.021 2.396 17 HB2 HIS 3 HB3 HIS 3 15.838 -0.604 2.462 18 HB3 HIS 3 HB2 HIS 3 14.738 0.657 1.928 19 HD1 HIS 3 HD1 HIS 3 15.106 -1.566 5.022 20 HD2 HIS 3 HD2 HIS 3 14.042 2.305 3.924 21 HE1 HIS 3 HE1 HIS 3 14.667 -0.344 7.176 22 HE2 HIS 3 HE2 HIS 3 13.878 1.956 6.481 23 H SER 4 H SER 4 13.874 -3.336 0.598 24 HA SER 4 HA SER 4 13.165 -2.045 -1.866 25 HB2 SER 4 HB3 SER 4 15.918 -3.302 -1.815 26 HB3 SER 4 HB2 SER 4 15.140 -2.417 -3.131 27 HG SER 4 HG SER 4 15.143 -0.762 -1.127 28 H GLY 5 H GLY 5 12.589 -3.512 -3.478 29 HA2 GLY 5 HA3 GLY 5 13.124 -6.263 -3.530 30 HA3 GLY 5 HA2 GLY 5 11.614 -6.017 -2.650 31 H ALA 6 H ALA 6 12.052 -7.281 -5.312 32 HA ALA 6 HA ALA 6 11.179 -5.316 -7.237 33 HB1 ALA 6 HB1 ALA 6 11.477 -8.294 -7.584 34 HB2 ALA 6 HB2 ALA 6 12.732 -7.087 -7.880 35 HB3 ALA 6 HB3 ALA 6 11.269 -7.096 -8.864 36 H ALA 7 H ALA 7 9.089 -4.790 -7.620 37 HA ALA 7 HA ALA 7 6.989 -6.735 -6.916 38 HB1 ALA 7 HB1 ALA 7 7.111 -5.035 -5.155 39 HB2 ALA 7 HB2 ALA 7 5.585 -4.948 -6.042 40 HB3 ALA 7 HB3 ALA 7 6.862 -3.773 -6.363 41 H ILE 8 H ILE 8 4.959 -6.387 -7.940 42 HA ILE 8 HA ILE 8 5.168 -5.268 -10.657 43 HB ILE 8 HB ILE 8 3.232 -7.248 -9.419 44 HG12 ILE 8 HG13 ILE 8 4.069 -8.721 -11.304 45 HG13 ILE 8 HG12 ILE 8 5.322 -7.528 -11.580 46 HG21 ILE 8 HG21 ILE 8 2.153 -7.395 -11.608 47 HG22 ILE 8 HG22 ILE 8 3.168 -6.072 -12.185 48 HG23 ILE 8 HG23 ILE 8 2.002 -5.789 -10.893 49 HD11 ILE 8 HD11 ILE 8 6.149 -9.391 -10.273 50 HD12 ILE 8 HD12 ILE 8 4.908 -9.104 -9.053 51 HD13 ILE 8 HD13 ILE 8 6.174 -7.906 -9.324 52 H PHE 9 H PHE 9 4.125 -3.480 -11.160 53 HA PHE 9 HA PHE 9 1.993 -2.561 -9.372 54 HB2 PHE 9 HB3 PHE 9 3.962 -1.259 -8.881 55 HB3 PHE 9 HB2 PHE 9 4.234 -0.946 -10.588 56 HD1 PHE 9 HD1 PHE 9 1.793 -0.331 -7.849 57 HD2 PHE 9 HD2 PHE 9 3.417 0.985 -11.556 58 HE1 PHE 9 HE1 PHE 9 0.539 1.775 -7.652 59 HE2 PHE 9 HE2 PHE 9 2.156 3.086 -11.365 60 HZ PHE 9 HZ PHE 9 0.718 3.484 -9.414 61 H GLU 10 H GLU 10 0.155 -2.602 -10.486 62 HA GLU 10 HA GLU 10 -1.381 -2.428 -12.137 63 HB2 GLU 10 HB2 GLU 10 0.553 -0.387 -13.248 64 HB3 GLU 10 HB3 GLU 10 -1.107 -0.607 -13.789 65 HG2 GLU 10 HG3 GLU 10 -1.784 -0.155 -11.381 66 HG3 GLU 10 HG2 GLU 10 -0.133 0.415 -11.144 67 H LYS 11 H LYS 11 0.258 -4.512 -12.316 68 HA LYS 11 HA LYS 11 0.387 -6.303 -13.645 69 HB2 LYS 11 HB2 LYS 11 -0.597 -4.576 -15.900 70 HB3 LYS 11 HB3 LYS 11 -0.544 -6.338 -15.873 71 HG2 LYS 11 HG2 LYS 11 -2.141 -4.626 -14.011 72 HG3 LYS 11 HG3 LYS 11 -2.789 -5.473 -15.404 73 HD2 LYS 11 HD2 LYS 11 -2.661 -7.483 -14.374 74 HD3 LYS 11 HD3 LYS 11 -1.298 -7.021 -13.377 75 HE2 LYS 11 HE2 LYS 11 -2.886 -5.484 -12.177 76 HE3 LYS 11 HE3 LYS 11 -4.187 -6.306 -13.033 77 HZ1 LYS 11 HZ1 LYS 11 -3.510 -8.381 -12.025 78 HZ2 LYS 11 HZ2 LYS 11 -3.829 -7.231 -10.826 79 HZ3 LYS 11 HZ3 LYS 11 -2.232 -7.617 -11.223 80 H VAL 12 H VAL 12 2.317 -3.645 -13.968 81 HA VAL 12 HA VAL 12 4.115 -5.157 -15.734 82 HB VAL 12 HB VAL 12 4.155 -3.036 -16.645 83 HG11 VAL 12 HG21 VAL 12 2.783 -1.921 -14.974 84 HG12 VAL 12 HG22 VAL 12 4.196 -0.945 -15.374 85 HG13 VAL 12 HG23 VAL 12 4.156 -1.863 -13.868 86 HG21 VAL 12 HG13 VAL 12 6.295 -1.956 -15.928 87 HG22 VAL 12 HG11 VAL 12 6.420 -3.690 -16.237 88 HG23 VAL 12 HG12 VAL 12 6.346 -3.098 -14.575 89 H SER 13 H SER 13 5.893 -6.078 -15.000 90 HA SER 13 HA SER 13 6.365 -6.169 -12.167 91 HB2 SER 13 HB3 SER 13 6.564 -8.211 -13.502 92 HB3 SER 13 HB2 SER 13 7.833 -7.470 -14.474 93 HG SER 13 HG SER 13 7.957 -8.605 -11.969 94 H GLY 14 H GLY 14 7.838 -5.097 -11.041 95 HA2 GLY 14 HA3 GLY 14 10.112 -3.880 -12.348 96 HA3 GLY 14 HA2 GLY 14 8.953 -2.773 -11.639 97 H ILE 15 H ILE 15 10.519 -2.016 -10.162 98 HA ILE 15 HA ILE 15 11.098 -3.890 -8.003 99 HB ILE 15 HB ILE 15 12.964 -1.672 -8.731 100 HG12 ILE 15 HG13 ILE 15 12.704 -3.259 -10.646 101 HG13 ILE 15 HG12 ILE 15 14.318 -3.171 -9.987 102 HG21 ILE 15 HG21 ILE 15 13.201 -2.566 -6.499 103 HG22 ILE 15 HG22 ILE 15 14.590 -3.025 -7.486 104 HG23 ILE 15 HG23 ILE 15 13.324 -4.202 -7.146 105 HD11 ILE 15 HD11 ILE 15 13.652 -5.422 -10.609 106 HD12 ILE 15 HD12 ILE 15 12.340 -5.340 -9.429 107 HD13 ILE 15 HD13 ILE 15 14.017 -5.279 -8.887 108 H ILE 16 H ILE 16 11.293 -2.980 -5.936 109 HA ILE 16 HA ILE 16 10.050 -0.330 -5.624 110 HB ILE 16 HB ILE 16 9.130 -2.877 -4.692 111 HG12 ILE 16 HG13 ILE 16 8.126 -0.081 -4.159 112 HG13 ILE 16 HG12 ILE 16 7.774 -1.030 -5.598 113 HG21 ILE 16 HG21 ILE 16 10.480 -2.542 -2.694 114 HG22 ILE 16 HG22 ILE 16 8.769 -2.354 -2.308 115 HG23 ILE 16 HG23 ILE 16 9.798 -0.929 -2.476 116 HD11 ILE 16 HD11 ILE 16 6.630 -2.686 -4.230 117 HD12 ILE 16 HD12 ILE 16 5.929 -1.083 -4.014 118 HD13 ILE 16 HD13 ILE 16 7.000 -1.752 -2.783 119 H ALA 17 H ALA 17 11.139 1.051 -4.353 120 HA ALA 17 HA ALA 17 13.058 -0.054 -2.433 121 HB1 ALA 17 HB1 ALA 17 14.670 1.746 -3.042 122 HB2 ALA 17 HB2 ALA 17 13.667 2.086 -4.456 123 HB3 ALA 17 HB3 ALA 17 14.434 0.501 -4.268 124 H ILE 18 H ILE 18 12.185 0.533 -0.566 125 HA ILE 18 HA ILE 18 11.087 3.169 -0.103 126 HB ILE 18 HB ILE 18 11.773 1.154 2.021 127 HG12 ILE 18 HG13 ILE 18 9.119 0.849 1.788 128 HG13 ILE 18 HG12 ILE 18 9.506 1.187 0.104 129 HG21 ILE 18 HG21 ILE 18 10.097 2.351 3.323 130 HG22 ILE 18 HG22 ILE 18 9.776 3.417 1.956 131 HG23 ILE 18 HG23 ILE 18 11.351 3.462 2.755 132 HD11 ILE 18 HD11 ILE 18 11.264 -0.627 0.328 133 HD12 ILE 18 HD12 ILE 18 9.576 -1.113 0.269 134 HD13 ILE 18 HD13 ILE 18 10.427 -1.079 1.814 135 H ASN 19 H ASN 19 12.359 4.861 0.532 136 HA ASN 19 HA ASN 19 14.919 4.193 1.815 137 HB2 ASN 19 HB2 ASN 19 16.128 5.496 0.392 138 HB3 ASN 19 HB3 ASN 19 14.809 5.106 -0.696 139 HD21 ASN 19 HD21 ASN 19 16.329 7.567 1.161 140 HD22 ASN 19 HD22 ASN 19 15.445 8.882 0.530 141 H GLU 20 H GLU 20 15.103 5.057 3.819 142 HA GLU 20 HA GLU 20 13.757 7.663 4.073 143 HB2 GLU 20 HB2 GLU 20 14.894 6.021 6.342 144 HB3 GLU 20 HB3 GLU 20 13.743 7.341 6.436 145 HG2 GLU 20 HG3 GLU 20 11.978 6.032 5.709 146 HG3 GLU 20 HG2 GLU 20 13.049 4.820 5.016 147 H ASP 21 H ASP 21 15.666 8.348 2.755 148 HA ASP 21 HA ASP 21 17.554 9.504 4.692 149 HB2 ASP 21 HB2 ASP 21 18.821 8.371 2.954 150 HB3 ASP 21 HB3 ASP 21 17.833 9.102 1.697 151 H VAL 22 H VAL 22 14.792 9.712 3.111 152 HA VAL 22 HA VAL 22 15.202 12.202 1.650 153 HB VAL 22 HB VAL 22 14.606 10.031 0.607 154 HG11 VAL 22 HG21 VAL 22 11.973 10.377 1.976 155 HG12 VAL 22 HG22 VAL 22 13.197 9.176 2.380 156 HG13 VAL 22 HG23 VAL 22 12.381 9.111 0.818 157 HG21 VAL 22 HG13 VAL 22 14.111 11.817 -0.762 158 HG22 VAL 22 HG11 VAL 22 12.709 12.284 0.208 159 HG23 VAL 22 HG12 VAL 22 12.663 10.797 -0.753 160 H SER 23 H SER 23 13.228 13.553 1.341 161 HA SER 23 HA SER 23 11.796 14.445 3.550 162 HB2 SER 23 HB3 SER 23 10.741 14.364 0.728 163 HB3 SER 23 HB2 SER 23 10.403 15.563 1.968 164 HG SER 23 HG SER 23 12.369 16.444 1.697 165 HA PRO 24 HA PRO 24 9.190 11.821 5.249 166 HB2 PRO 24 HB3 PRO 24 6.631 11.666 4.144 167 HB3 PRO 24 HB2 PRO 24 7.135 12.805 5.397 168 HG2 PRO 24 HG3 PRO 24 7.014 13.186 2.426 169 HG3 PRO 24 HG2 PRO 24 6.448 14.271 3.706 170 HD2 PRO 24 HD2 PRO 24 8.745 14.791 2.546 171 HD3 PRO 24 HD3 PRO 24 8.687 14.840 4.327 172 H ALA 25 H ALA 25 9.225 9.645 5.178 173 HA ALA 25 HA ALA 25 10.919 8.646 3.407 174 HB1 ALA 25 HB1 ALA 25 9.941 7.556 5.535 175 HB2 ALA 25 HB2 ALA 25 10.663 6.564 4.267 176 HB3 ALA 25 HB3 ALA 25 8.909 6.703 4.381 177 H GLU 26 H GLU 26 11.039 7.466 1.583 178 HA GLU 26 HA GLU 26 8.641 7.668 -0.033 179 HB2 GLU 26 HB2 GLU 26 11.360 8.774 -0.633 180 HB3 GLU 26 HB3 GLU 26 10.369 8.176 -1.962 181 HG2 GLU 26 HG3 GLU 26 8.578 9.703 -1.316 182 HG3 GLU 26 HG2 GLU 26 9.566 10.293 0.019 183 H LEU 27 H LEU 27 8.103 5.959 -1.095 184 HA LEU 27 HA LEU 27 10.010 3.744 -1.464 185 HB2 LEU 27 HB2 LEU 27 7.928 3.051 -0.478 186 HB3 LEU 27 HB3 LEU 27 6.998 3.988 -1.619 187 HG LEU 27 HG LEU 27 8.628 1.587 -2.465 188 HD11 LEU 27 HD11 LEU 27 7.006 0.972 -0.731 189 HD12 LEU 27 HD12 LEU 27 6.604 0.293 -2.307 190 HD13 LEU 27 HD13 LEU 27 5.725 1.702 -1.703 191 HD21 LEU 27 HD21 LEU 27 6.217 2.912 -3.734 192 HD22 LEU 27 HD22 LEU 27 7.125 1.544 -4.380 193 HD23 LEU 27 HD23 LEU 27 7.885 3.129 -4.265 194 H THR 28 H THR 28 10.528 3.140 -3.548 195 HA THR 28 HA THR 28 9.354 4.808 -5.649 196 HB THR 28 HB THR 28 12.300 4.193 -5.499 197 HG1 THR 28 HG1 THR 28 12.034 5.675 -3.919 198 HG21 THR 28 HG21 THR 28 12.401 5.977 -7.227 199 HG22 THR 28 HG22 THR 28 10.632 6.003 -7.243 200 HG23 THR 28 HG23 THR 28 11.505 4.550 -7.746 201 H TRP 29 H TRP 29 8.262 3.436 -6.816 202 HA TRP 29 HA TRP 29 9.319 0.778 -7.328 203 HB2 TRP 29 HB3 TRP 29 6.897 1.054 -6.994 204 HB3 TRP 29 HB2 TRP 29 6.827 2.116 -8.398 205 HD1 TRP 29 HD1 TRP 29 7.362 -1.583 -7.483 206 HE1 TRP 29 HE1 TRP 29 6.910 -3.017 -9.577 207 HE3 TRP 29 HE3 TRP 29 6.757 2.166 -10.903 208 HZ2 TRP 29 HZ2 TRP 29 6.380 -2.597 -12.316 209 HZ3 TRP 29 HZ3 TRP 29 6.280 1.564 -13.237 210 HH2 TRP 29 HH2 TRP 29 6.097 -0.767 -13.928 211 H ARG 30 H ARG 30 10.867 0.637 -8.668 212 HA ARG 30 HA ARG 30 10.844 2.234 -11.136 213 HB2 ARG 30 HB2 ARG 30 12.725 2.806 -9.739 214 HB3 ARG 30 HB3 ARG 30 13.115 1.117 -9.477 215 HG2 ARG 30 HG2 ARG 30 13.156 2.161 -12.245 216 HG3 ARG 30 HG3 ARG 30 14.472 2.612 -11.159 217 HD2 ARG 30 HD2 ARG 30 14.722 0.175 -10.647 218 HD3 ARG 30 HD3 ARG 30 13.575 -0.143 -11.932 219 HE ARG 30 HE ARG 30 15.299 1.175 -13.346 220 HH11 ARG 30 HH11 ARG 30 16.076 -0.981 -10.701 221 HH12 ARG 30 HH12 ARG 30 17.581 -1.494 -11.389 222 HH21 ARG 30 HH21 ARG 30 17.292 0.480 -14.266 223 HH22 ARG 30 HH22 ARG 30 18.266 -0.670 -13.404 224 H SER 31 H SER 31 10.236 1.019 -12.815 225 HA SER 31 HA SER 31 9.867 -1.729 -12.750 226 HB2 SER 31 HB3 SER 31 9.717 -1.542 -15.250 227 HB3 SER 31 HB2 SER 31 8.712 -0.383 -14.379 228 HG SER 31 HG SER 31 10.481 1.128 -14.659 229 H THR 32 H THR 32 10.994 -3.448 -13.518 230 HA THR 32 HA THR 32 13.702 -3.584 -12.989 231 HB THR 32 HB THR 32 12.215 -5.395 -14.897 232 HG1 THR 32 HG1 THR 32 12.402 -5.542 -12.052 233 HG21 THR 32 HG21 THR 32 14.656 -5.749 -14.764 234 HG22 THR 32 HG22 THR 32 13.755 -7.103 -14.083 235 HG23 THR 32 HG23 THR 32 14.521 -5.928 -13.014 236 H ASP 33 H ASP 33 12.052 -2.888 -16.025 237 HA ASP 33 HA ASP 33 14.459 -2.926 -17.611 238 HB2 ASP 33 HB2 ASP 33 12.369 -3.494 -18.685 239 HB3 ASP 33 HB3 ASP 33 11.657 -1.957 -18.206 240 H GLY 34 H GLY 34 12.681 -0.583 -15.776 241 HA2 GLY 34 HA3 GLY 34 13.635 1.472 -15.065 242 HA3 GLY 34 HA2 GLY 34 14.670 1.453 -16.486 243 H ASP 35 H ASP 35 11.697 0.569 -17.498 244 HA ASP 35 HA ASP 35 11.290 2.889 -19.023 245 HB2 ASP 35 HB2 ASP 35 10.547 0.634 -19.684 246 HB3 ASP 35 HB3 ASP 35 9.340 0.694 -18.413 247 H LYS 36 H LYS 36 9.594 1.644 -16.199 248 HA LYS 36 HA LYS 36 8.314 4.278 -15.878 249 HB2 LYS 36 HB2 LYS 36 7.275 1.532 -15.197 250 HB3 LYS 36 HB3 LYS 36 6.537 3.016 -14.604 251 HG2 LYS 36 HG2 LYS 36 5.734 3.596 -16.657 252 HG3 LYS 36 HG3 LYS 36 7.005 2.726 -17.502 253 HD2 LYS 36 HD2 LYS 36 5.939 0.613 -16.815 254 HD3 LYS 36 HD3 LYS 36 4.659 1.544 -16.034 255 HE2 LYS 36 HE2 LYS 36 3.715 1.105 -18.054 256 HE3 LYS 36 HE3 LYS 36 4.447 2.663 -18.372 257 HZ1 LYS 36 HZ1 LYS 36 6.340 1.526 -19.377 258 HZ2 LYS 36 HZ2 LYS 36 4.892 1.126 -20.164 259 HZ3 LYS 36 HZ3 LYS 36 5.600 0.025 -19.097 260 H VAL 37 H VAL 37 8.101 5.124 -13.896 261 HA VAL 37 HA VAL 37 9.311 3.816 -11.566 262 HB VAL 37 HB VAL 37 10.197 6.570 -12.492 263 HG11 VAL 37 HG21 VAL 37 11.002 4.990 -10.051 264 HG12 VAL 37 HG22 VAL 37 9.970 6.418 -10.060 265 HG13 VAL 37 HG23 VAL 37 11.661 6.550 -10.540 266 HG21 VAL 37 HG13 VAL 37 11.787 4.016 -12.239 267 HG22 VAL 37 HG11 VAL 37 12.426 5.598 -12.688 268 HG23 VAL 37 HG12 VAL 37 11.286 4.773 -13.752 269 H HIS 38 H HIS 38 8.044 4.123 -9.851 270 HA HIS 38 HA HIS 38 6.268 6.471 -9.769 271 HB2 HIS 38 HB3 HIS 38 5.263 4.188 -10.542 272 HB3 HIS 38 HB2 HIS 38 5.366 3.794 -8.829 273 HD1 HIS 38 HD1 HIS 38 3.220 5.358 -11.276 274 HD2 HIS 38 HD2 HIS 38 3.833 5.732 -7.180 275 HE1 HIS 38 HE1 HIS 38 1.191 6.549 -10.395 276 HE2 HIS 38 HE2 HIS 38 1.690 6.959 -7.964 277 H THR 39 H THR 39 6.742 7.578 -7.939 278 HA THR 39 HA THR 39 7.900 6.088 -5.702 279 HB THR 39 HB THR 39 7.706 9.090 -6.057 280 HG1 THR 39 HG1 THR 39 10.164 7.859 -6.351 281 HG21 THR 39 HG21 THR 39 9.428 9.188 -4.352 282 HG22 THR 39 HG22 THR 39 9.478 7.427 -4.267 283 HG23 THR 39 HG23 THR 39 8.034 8.294 -3.737 284 H VAL 40 H VAL 40 6.938 5.973 -3.695 285 HA VAL 40 HA VAL 40 4.298 7.245 -3.336 286 HB VAL 40 HB VAL 40 5.454 4.681 -2.266 287 HG11 VAL 40 HG21 VAL 40 3.045 6.161 -1.243 288 HG12 VAL 40 HG22 VAL 40 4.504 5.748 -0.343 289 HG13 VAL 40 HG23 VAL 40 3.408 4.475 -0.879 290 HG21 VAL 40 HG13 VAL 40 4.167 4.851 -4.463 291 HG22 VAL 40 HG11 VAL 40 2.745 5.123 -3.450 292 HG23 VAL 40 HG12 VAL 40 3.663 3.618 -3.300 293 H VAL 41 H VAL 41 4.108 8.754 -1.752 294 HA VAL 41 HA VAL 41 6.280 9.111 0.155 295 HB VAL 41 HB VAL 41 3.823 10.836 -0.237 296 HG11 VAL 41 HG21 VAL 41 4.735 11.062 1.998 297 HG12 VAL 41 HG22 VAL 41 5.123 12.507 1.066 298 HG13 VAL 41 HG23 VAL 41 6.358 11.283 1.348 299 HG21 VAL 41 HG13 VAL 41 6.646 11.205 -1.239 300 HG22 VAL 41 HG11 VAL 41 5.354 12.400 -1.363 301 HG23 VAL 41 HG12 VAL 41 5.222 10.866 -2.224 302 H LEU 42 H LEU 42 6.166 7.870 1.808 303 HA LEU 42 HA LEU 42 4.059 6.411 2.790 304 HB2 LEU 42 HB2 LEU 42 6.609 7.350 4.031 305 HB3 LEU 42 HB3 LEU 42 5.436 6.447 4.974 306 HG LEU 42 HG LEU 42 7.364 5.138 3.918 307 HD11 LEU 42 HD11 LEU 42 4.528 4.277 3.367 308 HD12 LEU 42 HD12 LEU 42 5.352 4.159 4.923 309 HD13 LEU 42 HD13 LEU 42 5.930 3.228 3.550 310 HD21 LEU 42 HD21 LEU 42 6.959 4.338 1.630 311 HD22 LEU 42 HD22 LEU 42 7.326 6.063 1.683 312 HD23 LEU 42 HD23 LEU 42 5.661 5.518 1.459 313 H SER 43 H SER 43 4.772 9.768 3.450 314 HA SER 43 HA SER 43 3.140 9.833 5.811 315 HB2 SER 43 HB3 SER 43 4.374 12.024 4.175 316 HB3 SER 43 HB2 SER 43 3.414 12.318 5.624 317 HG SER 43 HG SER 43 5.363 12.138 6.465 318 H THR 44 H THR 44 2.681 10.557 2.392 319 HA THR 44 HA THR 44 0.008 11.536 2.798 320 HB THR 44 HB THR 44 -0.265 11.366 0.366 321 HG1 THR 44 HG1 THR 44 1.874 10.726 -0.721 322 HG21 THR 44 HG21 THR 44 1.518 12.901 -0.323 323 HG22 THR 44 HG22 THR 44 2.418 12.510 1.143 324 HG23 THR 44 HG23 THR 44 0.866 13.340 1.256 325 H ILE 45 H ILE 45 1.497 8.565 2.925 326 HA ILE 45 HA ILE 45 -0.795 6.946 2.308 327 HB ILE 45 HB ILE 45 1.833 6.252 3.604 328 HG12 ILE 45 HG13 ILE 45 2.074 7.063 1.286 329 HG13 ILE 45 HG12 ILE 45 2.461 5.360 1.426 330 HG21 ILE 45 HG21 ILE 45 1.267 3.961 3.184 331 HG22 ILE 45 HG22 ILE 45 -0.248 4.435 2.425 332 HG23 ILE 45 HG23 ILE 45 -0.001 4.708 4.150 333 HD11 ILE 45 HD11 ILE 45 0.144 4.848 0.596 334 HD12 ILE 45 HD12 ILE 45 1.206 5.639 -0.574 335 HD13 ILE 45 HD13 ILE 45 -0.036 6.573 0.268 336 H ASP 46 H ASP 46 -2.400 6.613 3.658 337 HA ASP 46 HA ASP 46 -2.300 7.339 6.437 338 HB2 ASP 46 HB2 ASP 46 -4.305 7.801 5.201 339 HB3 ASP 46 HB3 ASP 46 -4.447 6.136 4.690 340 H LYS 47 H LYS 47 -2.550 4.319 4.572 341 HA LYS 47 HA LYS 47 -1.635 2.830 6.933 342 HB2 LYS 47 HB2 LYS 47 -3.820 1.686 5.184 343 HB3 LYS 47 HB3 LYS 47 -3.243 1.108 6.733 344 HG2 LYS 47 HG2 LYS 47 -4.697 3.704 6.418 345 HG3 LYS 47 HG3 LYS 47 -5.499 2.170 6.738 346 HD2 LYS 47 HD2 LYS 47 -3.959 1.956 8.742 347 HD3 LYS 47 HD3 LYS 47 -3.559 3.654 8.474 348 HE2 LYS 47 HE2 LYS 47 -5.317 3.505 10.113 349 HE3 LYS 47 HE3 LYS 47 -5.959 4.198 8.625 350 HZ1 LYS 47 HZ1 LYS 47 -6.908 2.085 8.048 351 HZ2 LYS 47 HZ2 LYS 47 -7.428 2.512 9.601 352 HZ3 LYS 47 HZ3 LYS 47 -6.213 1.345 9.403 353 H LEU 48 H LEU 48 -0.534 0.867 6.380 354 HA LEU 48 HA LEU 48 -0.269 0.384 3.490 355 HB2 LEU 48 HB2 LEU 48 1.916 0.849 4.139 356 HB3 LEU 48 HB3 LEU 48 1.708 0.060 5.698 357 HG LEU 48 HG LEU 48 1.565 -2.127 4.457 358 HD11 LEU 48 HD11 LEU 48 2.906 -0.703 2.217 359 HD12 LEU 48 HD12 LEU 48 1.149 -0.847 2.242 360 HD13 LEU 48 HD13 LEU 48 2.157 -2.296 2.232 361 HD21 LEU 48 HD21 LEU 48 3.687 -2.359 4.993 362 HD22 LEU 48 HD22 LEU 48 3.733 -0.618 5.293 363 HD23 LEU 48 HD23 LEU 48 4.186 -1.256 3.714 364 H GLN 49 H GLN 49 -0.464 -1.674 2.803 365 HA GLN 49 HA GLN 49 -1.588 -3.620 4.698 366 HB2 GLN 49 HB2 GLN 49 -2.405 -3.212 1.832 367 HB3 GLN 49 HB3 GLN 49 -3.092 -4.376 2.944 368 HG2 GLN 49 HG2 GLN 49 -3.219 -1.418 3.425 369 HG3 GLN 49 HG3 GLN 49 -4.451 -2.294 2.520 370 HE21 GLN 49 HE21 GLN 49 -4.351 -4.671 4.128 371 HE22 GLN 49 HE22 GLN 49 -5.071 -4.283 5.649 372 H ALA 50 H ALA 50 -1.201 -5.772 4.188 373 HA ALA 50 HA ALA 50 0.457 -6.567 1.999 374 HB1 ALA 50 HB1 ALA 50 2.143 -5.494 3.487 375 HB2 ALA 50 HB2 ALA 50 2.412 -7.229 3.292 376 HB3 ALA 50 HB3 ALA 50 1.680 -6.616 4.772 377 H THR 51 H THR 51 0.462 -8.826 1.789 378 HA THR 51 HA THR 51 -1.678 -10.255 2.949 379 HB THR 51 HB THR 51 -0.611 -12.269 1.985 380 HG1 THR 51 HG1 THR 51 1.592 -10.863 2.191 381 HG21 THR 51 HG21 THR 51 -2.028 -11.038 0.520 382 HG22 THR 51 HG22 THR 51 -0.577 -11.463 -0.399 383 HG23 THR 51 HG23 THR 51 -0.776 -9.829 0.235 384 HA PRO 52 HA PRO 52 0.018 -11.305 6.928 385 HB2 PRO 52 HB3 PRO 52 -2.015 -12.980 7.590 386 HB3 PRO 52 HB2 PRO 52 -2.193 -11.221 7.616 387 HG2 PRO 52 HG3 PRO 52 -2.953 -13.167 5.467 388 HG3 PRO 52 HG2 PRO 52 -3.909 -11.871 6.172 389 HD2 PRO 52 HD2 PRO 52 -2.673 -11.560 3.846 390 HD3 PRO 52 HD3 PRO 52 -2.754 -10.229 5.008 391 H ALA 53 H ALA 53 0.630 -13.329 8.046 392 HA ALA 53 HA ALA 53 1.964 -15.145 6.353 393 HB1 ALA 53 HB1 ALA 53 2.448 -16.411 8.376 394 HB2 ALA 53 HB2 ALA 53 1.228 -15.492 9.259 395 HB3 ALA 53 HB3 ALA 53 2.674 -14.684 8.654 396 H SER 54 H SER 54 -1.262 -15.045 7.557 397 HA SER 54 HA SER 54 -1.878 -17.808 7.075 398 HB2 SER 54 HB3 SER 54 -3.069 -16.239 8.692 399 HB3 SER 54 HB2 SER 54 -3.845 -15.529 7.282 400 HG SER 54 HG SER 54 -5.013 -17.294 6.993 401 H SER 55 H SER 55 -1.663 -14.968 5.188 402 HA SER 55 HA SER 55 -3.396 -15.663 3.049 403 HB2 SER 55 HB3 SER 55 -2.667 -13.356 3.245 404 HB3 SER 55 HB2 SER 55 -0.978 -13.845 3.191 405 HG SER 55 HG SER 55 -1.068 -13.818 1.101 406 H GLU 56 H GLU 56 -2.968 -16.700 1.110 407 HA GLU 56 HA GLU 56 -0.644 -18.441 1.047 408 HB2 GLU 56 HB2 GLU 56 -3.082 -18.229 -0.663 409 HB3 GLU 56 HB3 GLU 56 -1.760 -19.314 -1.038 410 HG2 GLU 56 HG3 GLU 56 -3.385 -19.351 1.481 411 HG3 GLU 56 HG2 GLU 56 -3.553 -20.442 0.110 412 H LYS 57 H LYS 57 -1.566 -15.427 -0.032 413 HA LYS 57 HA LYS 57 0.231 -15.497 -2.356 414 HB2 LYS 57 HB2 LYS 57 -1.556 -13.191 -1.791 415 HB3 LYS 57 HB3 LYS 57 -1.014 -13.817 -3.334 416 HG2 LYS 57 HG2 LYS 57 -3.085 -15.054 -1.548 417 HG3 LYS 57 HG3 LYS 57 -3.398 -14.169 -3.037 418 HD2 LYS 57 HD2 LYS 57 -1.899 -16.757 -2.758 419 HD3 LYS 57 HD3 LYS 57 -3.537 -16.580 -3.373 420 HE2 LYS 57 HE2 LYS 57 -1.018 -15.478 -4.601 421 HE3 LYS 57 HE3 LYS 57 -1.954 -16.840 -5.203 422 HZ1 LYS 57 HZ1 LYS 57 -2.912 -14.034 -5.028 423 HZ2 LYS 57 HZ2 LYS 57 -3.805 -15.343 -5.611 424 HZ3 LYS 57 HZ3 LYS 57 -2.429 -14.823 -6.442 425 H MET 58 H MET 58 1.291 -13.306 -2.734 426 HA MET 58 HA MET 58 2.098 -12.023 -0.217 427 HB2 MET 58 HB3 MET 58 4.213 -11.730 -2.043 428 HB3 MET 58 HB2 MET 58 4.229 -12.597 -0.525 429 HG2 MET 58 HG3 MET 58 5.079 -13.916 -2.409 430 HG3 MET 58 HG2 MET 58 3.701 -14.661 -1.623 431 HE1 MET 58 HE1 MET 58 3.096 -15.852 -5.253 432 HE2 MET 58 HE2 MET 58 3.109 -16.297 -3.547 433 HE3 MET 58 HE3 MET 58 4.601 -15.785 -4.334 434 H MET 59 H MET 59 1.363 -9.991 -0.311 435 HA MET 59 HA MET 59 1.873 -8.381 -2.652 436 HB2 MET 59 HB3 MET 59 -0.635 -9.695 -2.345 437 HB3 MET 59 HB2 MET 59 -0.888 -7.970 -2.130 438 HG2 MET 59 HG3 MET 59 0.068 -7.506 -4.275 439 HG3 MET 59 HG2 MET 59 0.532 -9.194 -4.483 440 HE1 MET 59 HE1 MET 59 -1.214 -11.173 -4.701 441 HE2 MET 59 HE2 MET 59 -2.958 -10.948 -4.822 442 HE3 MET 59 HE3 MET 59 -2.138 -10.654 -3.291 443 H LEU 60 H LEU 60 1.756 -6.209 -2.286 444 HA LEU 60 HA LEU 60 1.177 -5.318 0.467 445 HB2 LEU 60 HB2 LEU 60 3.451 -4.960 -1.241 446 HB3 LEU 60 HB3 LEU 60 2.710 -3.400 -0.941 447 HG LEU 60 HG LEU 60 2.755 -4.245 1.558 448 HD11 LEU 60 HD11 LEU 60 3.655 -6.440 1.100 449 HD12 LEU 60 HD12 LEU 60 4.816 -5.471 2.021 450 HD13 LEU 60 HD13 LEU 60 5.047 -5.718 0.287 451 HD21 LEU 60 HD21 LEU 60 5.174 -3.209 0.116 452 HD22 LEU 60 HD22 LEU 60 4.844 -3.081 1.846 453 HD23 LEU 60 HD23 LEU 60 3.816 -2.235 0.687 454 H ARG 61 H ARG 61 0.095 -3.262 0.677 455 HA ARG 61 HA ARG 61 -0.549 -1.776 -1.720 456 HB2 ARG 61 HB2 ARG 61 -2.463 -3.267 -1.629 457 HB3 ARG 61 HB3 ARG 61 -2.762 -2.832 0.045 458 HG2 ARG 61 HG2 ARG 61 -3.027 -0.442 -0.814 459 HG3 ARG 61 HG3 ARG 61 -3.149 -1.176 -2.413 460 HD2 ARG 61 HD2 ARG 61 -4.845 -2.231 -0.202 461 HD3 ARG 61 HD3 ARG 61 -5.285 -0.706 -0.959 462 HE ARG 61 HE ARG 61 -5.006 -2.274 -3.094 463 HH11 ARG 61 HH11 ARG 61 -6.617 -2.912 -0.037 464 HH12 ARG 61 HH12 ARG 61 -7.908 -3.824 -0.764 465 HH21 ARG 61 HH21 ARG 61 -6.711 -3.474 -4.037 466 HH22 ARG 61 HH22 ARG 61 -7.936 -4.171 -3.025 467 H LEU 62 H LEU 62 0.075 0.209 -1.261 468 HA LEU 62 HA LEU 62 0.017 1.174 1.494 469 HB2 LEU 62 HB2 LEU 62 1.485 1.905 -0.991 470 HB3 LEU 62 HB3 LEU 62 1.225 3.167 0.193 471 HG LEU 62 HG LEU 62 2.375 0.526 1.016 472 HD11 LEU 62 HD11 LEU 62 4.622 1.390 0.745 473 HD12 LEU 62 HD12 LEU 62 3.983 2.883 0.047 474 HD13 LEU 62 HD13 LEU 62 3.791 1.356 -0.816 475 HD21 LEU 62 HD21 LEU 62 3.323 1.803 2.813 476 HD22 LEU 62 HD22 LEU 62 1.587 2.107 2.718 477 HD23 LEU 62 HD23 LEU 62 2.730 3.301 2.100 478 H ILE 63 H ILE 63 -1.695 2.230 2.161 479 HA ILE 63 HA ILE 63 -3.729 3.186 0.320 480 HB ILE 63 HB ILE 63 -3.849 3.435 3.312 481 HG12 ILE 63 HG13 ILE 63 -3.065 1.153 2.920 482 HG13 ILE 63 HG12 ILE 63 -4.723 1.159 3.511 483 HG21 ILE 63 HG21 ILE 63 -6.036 2.686 1.400 484 HG22 ILE 63 HG22 ILE 63 -5.636 4.354 1.807 485 HG23 ILE 63 HG23 ILE 63 -6.187 3.246 3.064 486 HD11 ILE 63 HD11 ILE 63 -4.278 -0.474 1.717 487 HD12 ILE 63 HD12 ILE 63 -3.968 0.877 0.626 488 HD13 ILE 63 HD13 ILE 63 -5.563 0.674 1.349 489 H GLY 64 H GLY 64 -3.476 5.291 -0.427 490 HA2 GLY 64 HA3 GLY 64 -2.103 7.269 1.162 491 HA3 GLY 64 HA2 GLY 64 -2.856 7.536 -0.391 492 H LYS 65 H LYS 65 -2.991 9.167 2.059 493 HA LYS 65 HA LYS 65 -5.503 8.877 3.313 494 HB2 LYS 65 HB2 LYS 65 -3.643 11.203 2.982 495 HB3 LYS 65 HB3 LYS 65 -5.241 11.429 3.670 496 HG2 LYS 65 HG2 LYS 65 -3.829 11.190 5.504 497 HG3 LYS 65 HG3 LYS 65 -4.601 9.631 5.346 498 HD2 LYS 65 HD2 LYS 65 -2.674 8.628 4.563 499 HD3 LYS 65 HD3 LYS 65 -1.969 10.150 4.059 500 HE2 LYS 65 HE2 LYS 65 -2.466 9.424 6.926 501 HE3 LYS 65 HE3 LYS 65 -0.943 9.113 6.103 502 HZ1 LYS 65 HZ1 LYS 65 -0.910 11.171 7.390 503 HZ2 LYS 65 HZ2 LYS 65 -2.173 11.794 6.457 504 HZ3 LYS 65 HZ3 LYS 65 -0.675 11.466 5.742 505 H VAL 66 H VAL 66 -7.490 9.408 2.705 506 HA VAL 66 HA VAL 66 -7.888 10.640 0.093 507 HB VAL 66 HB VAL 66 -9.194 8.639 0.707 508 HG11 VAL 66 HG21 VAL 66 -10.495 10.415 2.748 509 HG12 VAL 66 HG22 VAL 66 -9.448 9.039 3.085 510 HG13 VAL 66 HG23 VAL 66 -11.014 8.786 2.319 511 HG21 VAL 66 HG13 VAL 66 -10.094 10.102 -0.976 512 HG22 VAL 66 HG11 VAL 66 -10.838 11.114 0.263 513 HG23 VAL 66 HG12 VAL 66 -11.406 9.463 0.014 514 H ASP 67 H ASP 67 -9.432 12.410 -0.113 515 HA ASP 67 HA ASP 67 -8.837 14.398 1.869 516 HB2 ASP 67 HB2 ASP 67 -10.081 15.889 0.249 517 HB3 ASP 67 HB3 ASP 67 -8.599 15.172 -0.339 518 H GLU 68 H GLU 68 -9.984 13.512 3.590 519 HA GLU 68 HA GLU 68 -12.784 13.092 3.606 520 HB2 GLU 68 HB2 GLU 68 -10.808 13.551 5.815 521 HB3 GLU 68 HB3 GLU 68 -12.487 13.128 6.092 522 HG2 GLU 68 HG3 GLU 68 -10.662 11.430 4.431 523 HG3 GLU 68 HG2 GLU 68 -10.776 11.263 6.178 524 H SER 69 H SER 69 -10.844 15.876 3.754 525 HA SER 69 HA SER 69 -12.383 17.571 5.355 526 HB2 SER 69 HB3 SER 69 -11.237 19.350 3.775 527 HB3 SER 69 HB2 SER 69 -10.285 18.417 4.929 528 HG SER 69 HG SER 69 -9.246 17.584 3.319 529 H LYS 70 H LYS 70 -12.685 16.716 1.952 530 HA LYS 70 HA LYS 70 -15.250 18.115 1.946 531 HB2 LYS 70 HB2 LYS 70 -14.846 18.680 -0.492 532 HB3 LYS 70 HB3 LYS 70 -13.948 19.613 0.692 533 HG2 LYS 70 HG2 LYS 70 -12.718 17.220 -0.613 534 HG3 LYS 70 HG3 LYS 70 -12.738 18.791 -1.414 535 HD2 LYS 70 HD2 LYS 70 -11.686 19.753 0.638 536 HD3 LYS 70 HD3 LYS 70 -11.514 18.112 1.246 537 HE2 LYS 70 HE2 LYS 70 -10.157 17.539 -0.721 538 HE3 LYS 70 HE3 LYS 70 -10.291 19.202 -1.285 539 HZ1 LYS 70 HZ1 LYS 70 -9.129 19.948 0.672 540 HZ2 LYS 70 HZ2 LYS 70 -8.201 18.775 -0.115 541 HZ3 LYS 70 HZ3 LYS 70 -9.059 18.374 1.288 542 H LYS 71 H LYS 71 -16.852 16.785 1.474 543 HA LYS 71 HA LYS 71 -16.349 14.188 0.438 544 HB2 LYS 71 HB2 LYS 71 -18.872 15.592 1.217 545 HB3 LYS 71 HB3 LYS 71 -18.858 13.968 0.559 546 HG2 LYS 71 HG2 LYS 71 -17.348 13.336 2.442 547 HG3 LYS 71 HG3 LYS 71 -17.651 14.925 3.136 548 HD2 LYS 71 HD2 LYS 71 -19.161 13.377 4.166 549 HD3 LYS 71 HD3 LYS 71 -20.085 14.397 3.064 550 HE2 LYS 71 HE2 LYS 71 -20.142 12.676 1.409 551 HE3 LYS 71 HE3 LYS 71 -19.067 11.655 2.363 552 HZ1 LYS 71 HZ1 LYS 71 -21.309 10.905 2.618 553 HZ2 LYS 71 HZ2 LYS 71 -21.850 12.450 3.054 554 HZ3 LYS 71 HZ3 LYS 71 -20.814 11.588 4.083 555 H ARG 72 H ARG 72 -16.693 13.447 -1.564 556 HA ARG 72 HA ARG 72 -17.144 15.285 -3.713 557 HB2 ARG 72 HB2 ARG 72 -16.528 13.553 -5.112 558 HB3 ARG 72 HB3 ARG 72 -15.787 13.000 -3.621 559 HG2 ARG 72 HG2 ARG 72 -17.642 11.523 -3.214 560 HG3 ARG 72 HG3 ARG 72 -18.457 12.109 -4.661 561 HD2 ARG 72 HD2 ARG 72 -15.823 10.645 -4.559 562 HD3 ARG 72 HD3 ARG 72 -17.362 9.978 -5.088 563 HE ARG 72 HE ARG 72 -16.508 12.301 -6.569 564 HH11 ARG 72 HH11 ARG 72 -16.389 8.803 -6.345 565 HH12 ARG 72 HH12 ARG 72 -15.964 8.586 -8.011 566 HH21 ARG 72 HH21 ARG 72 -15.935 12.008 -8.768 567 HH22 ARG 72 HH22 ARG 72 -15.693 10.404 -9.384 568 H LYS 73 H LYS 73 -18.897 14.568 -5.412 569 HA LYS 73 HA LYS 73 -21.376 13.841 -4.059 570 HB2 LYS 73 HB2 LYS 73 -22.149 15.827 -5.825 571 HB3 LYS 73 HB3 LYS 73 -22.125 15.931 -4.074 572 HG2 LYS 73 HG2 LYS 73 -20.959 17.800 -4.820 573 HG3 LYS 73 HG3 LYS 73 -19.714 16.672 -4.300 574 HD2 LYS 73 HD2 LYS 73 -19.726 15.930 -6.784 575 HD3 LYS 73 HD3 LYS 73 -20.493 17.491 -7.068 576 HE2 LYS 73 HE2 LYS 73 -17.863 17.066 -5.668 577 HE3 LYS 73 HE3 LYS 73 -18.047 17.572 -7.346 578 HZ1 LYS 73 HZ1 LYS 73 -17.631 19.455 -5.902 579 HZ2 LYS 73 HZ2 LYS 73 -18.989 19.083 -4.970 580 HZ3 LYS 73 HZ3 LYS 73 -19.176 19.568 -6.577 581 H ASP 74 H ASP 74 -23.112 13.161 -5.577 582 HA ASP 74 HA ASP 74 -21.818 11.691 -7.724 583 HB2 ASP 74 HB2 ASP 74 -23.526 10.786 -5.964 584 HB3 ASP 74 HB3 ASP 74 -24.717 11.445 -7.076 585 H ASN 75 H ASN 75 -24.106 11.381 -9.432 586 HA ASN 75 HA ASN 75 -23.525 13.550 -11.147 587 HB2 ASN 75 HB2 ASN 75 -25.086 12.577 -12.698 588 HB3 ASN 75 HB3 ASN 75 -24.158 11.297 -11.933 589 HD21 ASN 75 HD21 ASN 75 -27.279 12.743 -12.293 590 HD22 ASN 75 HD22 ASN 75 -28.173 11.488 -11.505 591 H GLU 76 H GLU 76 -25.926 13.204 -8.699 592 HA GLU 76 HA GLU 76 -27.502 15.413 -9.825 593 HB2 GLU 76 HB2 GLU 76 -27.980 13.612 -7.463 594 HB3 GLU 76 HB3 GLU 76 -29.030 14.946 -7.899 595 HG2 GLU 76 HG3 GLU 76 -28.373 12.654 -9.708 596 HG3 GLU 76 HG2 GLU 76 -29.804 12.716 -8.678 597 H GLY 77 H GLY 77 -24.860 14.993 -8.045 598 HA2 GLY 77 HA3 GLY 77 -23.613 16.527 -6.821 599 HA3 GLY 77 HA2 GLY 77 -24.970 17.645 -6.912 600 H ASN 78 H ASN 78 -24.855 14.347 -5.665 601 HA ASN 78 HA ASN 78 -26.230 15.129 -3.278 602 HB2 ASN 78 HB2 ASN 78 -25.165 12.516 -4.289 603 HB3 ASN 78 HB3 ASN 78 -25.981 12.664 -2.732 604 HD21 ASN 78 HD21 ASN 78 -26.237 12.262 -6.049 605 HD22 ASN 78 HD22 ASN 78 -27.946 12.281 -6.169 606 H GLU 79 H GLU 79 -23.950 12.659 -2.893 607 HA GLU 79 HA GLU 79 -21.627 13.929 -2.150 608 HB2 GLU 79 HB2 GLU 79 -21.698 13.876 0.302 609 HB3 GLU 79 HB3 GLU 79 -22.832 15.040 -0.361 610 HG2 GLU 79 HG3 GLU 79 -24.658 13.520 0.059 611 HG3 GLU 79 HG2 GLU 79 -23.512 12.297 0.606 612 H VAL 80 H VAL 80 -20.251 12.378 -2.451 613 HA VAL 80 HA VAL 80 -20.858 9.681 -1.394 614 HB VAL 80 HB VAL 80 -18.877 10.094 -3.592 615 HG11 VAL 80 HG21 VAL 80 -20.678 7.796 -2.857 616 HG12 VAL 80 HG22 VAL 80 -18.953 7.938 -2.517 617 HG13 VAL 80 HG23 VAL 80 -19.516 7.799 -4.183 618 HG21 VAL 80 HG13 VAL 80 -21.845 9.773 -4.064 619 HG22 VAL 80 HG11 VAL 80 -20.592 9.702 -5.303 620 HG23 VAL 80 HG12 VAL 80 -20.885 11.206 -4.431 621 H VAL 81 H VAL 81 -19.144 8.647 -0.329 622 HA VAL 81 HA VAL 81 -16.783 10.328 0.080 623 HB VAL 81 HB VAL 81 -17.791 9.779 2.196 624 HG11 VAL 81 HG21 VAL 81 -19.058 7.816 1.658 625 HG12 VAL 81 HG22 VAL 81 -17.965 7.435 2.988 626 HG13 VAL 81 HG23 VAL 81 -17.588 6.894 1.353 627 HG21 VAL 81 HG13 VAL 81 -15.309 8.125 1.764 628 HG22 VAL 81 HG11 VAL 81 -15.916 8.692 3.320 629 HG23 VAL 81 HG12 VAL 81 -15.359 9.853 2.114 630 HA PRO 82 HA PRO 82 -15.124 7.436 -2.908 631 HB2 PRO 82 HB3 PRO 82 -12.913 8.910 -3.377 632 HB3 PRO 82 HB2 PRO 82 -14.459 9.208 -4.160 633 HG2 PRO 82 HG3 PRO 82 -13.224 10.570 -1.827 634 HG3 PRO 82 HG2 PRO 82 -14.113 11.275 -3.174 635 HD2 PRO 82 HD2 PRO 82 -15.192 10.889 -0.757 636 HD3 PRO 82 HD3 PRO 82 -16.129 10.759 -2.247 637 H LYS 83 H LYS 83 -13.941 5.715 -2.491 638 HA LYS 83 HA LYS 83 -12.422 5.381 -0.161 639 HB2 LYS 83 HB2 LYS 83 -13.008 3.354 -0.949 640 HB3 LYS 83 HB3 LYS 83 -12.928 3.853 -2.632 641 HG2 LYS 83 HG2 LYS 83 -10.519 3.591 -2.617 642 HG3 LYS 83 HG3 LYS 83 -10.550 3.205 -0.894 643 HD2 LYS 83 HD2 LYS 83 -10.360 1.190 -2.290 644 HD3 LYS 83 HD3 LYS 83 -11.845 1.202 -1.338 645 HE2 LYS 83 HE2 LYS 83 -13.047 2.062 -3.342 646 HE3 LYS 83 HE3 LYS 83 -11.559 1.871 -4.265 647 HZ1 LYS 83 HZ1 LYS 83 -11.635 -0.459 -3.979 648 HZ2 LYS 83 HZ2 LYS 83 -13.198 -0.000 -4.429 649 HZ3 LYS 83 HZ3 LYS 83 -12.856 -0.363 -2.812 650 HA PRO 84 HA PRO 84 -8.744 7.657 -0.841 651 HB2 PRO 84 HB3 PRO 84 -7.449 5.330 0.475 652 HB3 PRO 84 HB2 PRO 84 -7.379 7.044 0.890 653 HG2 PRO 84 HG3 PRO 84 -8.845 5.294 2.307 654 HG3 PRO 84 HG2 PRO 84 -9.342 6.980 2.076 655 HD2 PRO 84 HD2 PRO 84 -10.422 4.502 0.849 656 HD3 PRO 84 HD3 PRO 84 -11.224 6.048 1.183 657 H GLN 85 H GLN 85 -6.949 7.694 -2.158 658 HA GLN 85 HA GLN 85 -6.762 5.628 -4.141 659 HB2 GLN 85 HB2 GLN 85 -4.604 7.192 -4.672 660 HB3 GLN 85 HB3 GLN 85 -6.213 7.477 -5.302 661 HG2 GLN 85 HG2 GLN 85 -5.475 9.548 -4.532 662 HG3 GLN 85 HG3 GLN 85 -6.586 8.977 -3.298 663 HE21 GLN 85 HE21 GLN 85 -3.277 7.859 -3.701 664 HE22 GLN 85 HE22 GLN 85 -2.681 8.525 -2.225 665 H ARG 86 H ARG 86 -5.694 3.854 -3.932 666 HA ARG 86 HA ARG 86 -3.546 3.784 -1.929 667 HB2 ARG 86 HB2 ARG 86 -5.174 1.375 -2.700 668 HB3 ARG 86 HB3 ARG 86 -4.264 1.677 -1.215 669 HG2 ARG 86 HG2 ARG 86 -5.898 3.126 -0.381 670 HG3 ARG 86 HG3 ARG 86 -6.671 3.308 -1.950 671 HD2 ARG 86 HD2 ARG 86 -6.591 0.744 -0.369 672 HD3 ARG 86 HD3 ARG 86 -7.947 1.871 -0.385 673 HE ARG 86 HE ARG 86 -7.376 1.245 -3.029 674 HH11 ARG 86 HH11 ARG 86 -8.523 -0.397 -0.153 675 HH12 ARG 86 HH12 ARG 86 -9.398 -1.603 -1.045 676 HH21 ARG 86 HH21 ARG 86 -8.548 -0.320 -4.199 677 HH22 ARG 86 HH22 ARG 86 -9.413 -1.560 -3.344 678 H HIS 87 H HIS 87 -1.700 2.734 -2.419 679 HA HIS 87 HA HIS 87 -1.288 2.142 -5.271 680 HB2 HIS 87 HB3 HIS 87 0.815 2.612 -3.147 681 HB3 HIS 87 HB2 HIS 87 1.029 2.673 -4.886 682 HD1 HIS 87 HD1 HIS 87 0.092 4.833 -6.107 683 HD2 HIS 87 HD2 HIS 87 -0.076 4.934 -1.959 684 HE1 HIS 87 HE1 HIS 87 -0.249 7.249 -5.500 685 HE2 HIS 87 HE2 HIS 87 -0.161 7.304 -2.984 686 H MET 88 H MET 88 -1.382 -0.009 -5.694 687 HA MET 88 HA MET 88 -0.603 -1.859 -3.555 688 HB2 MET 88 HB3 MET 88 -2.846 -2.264 -4.299 689 HB3 MET 88 HB2 MET 88 -2.345 -2.258 -5.986 690 HG2 MET 88 HG3 MET 88 -0.976 -4.285 -5.520 691 HG3 MET 88 HG2 MET 88 -1.665 -4.319 -3.903 692 HE1 MET 88 HE1 MET 88 -4.305 -3.970 -3.654 693 HE2 MET 88 HE2 MET 88 -4.014 -5.694 -3.412 694 HE3 MET 88 HE3 MET 88 -5.348 -5.160 -4.431 695 H PHE 89 H PHE 89 1.106 -3.163 -3.745 696 HA PHE 89 HA PHE 89 2.320 -3.438 -6.391 697 HB2 PHE 89 HB3 PHE 89 3.749 -3.049 -3.762 698 HB3 PHE 89 HB2 PHE 89 4.538 -3.438 -5.286 699 HD1 PHE 89 HD1 PHE 89 2.735 -0.872 -3.421 700 HD2 PHE 89 HD2 PHE 89 4.849 -1.781 -6.983 701 HE1 PHE 89 HE1 PHE 89 2.900 1.538 -3.928 702 HE2 PHE 89 HE2 PHE 89 5.006 0.617 -7.507 703 HZ PHE 89 HZ PHE 89 4.033 2.280 -5.977 704 H SER 90 H SER 90 2.500 -5.503 -6.988 705 HA SER 90 HA SER 90 1.920 -7.556 -5.018 706 HB2 SER 90 HB3 SER 90 2.154 -7.722 -8.028 707 HB3 SER 90 HB2 SER 90 1.634 -9.029 -6.976 708 HG SER 90 HG SER 90 -0.278 -8.170 -6.877 709 H PHE 91 H PHE 91 3.384 -8.886 -4.227 710 HA PHE 91 HA PHE 91 6.050 -8.924 -5.469 711 HB2 PHE 91 HB3 PHE 91 5.130 -9.320 -2.633 712 HB3 PHE 91 HB2 PHE 91 6.650 -10.025 -3.177 713 HD1 PHE 91 HD2 PHE 91 8.259 -8.392 -4.410 714 HD2 PHE 91 HD1 PHE 91 5.155 -7.166 -1.783 715 HE1 PHE 91 HE2 PHE 91 9.425 -6.265 -4.040 716 HE2 PHE 91 HE1 PHE 91 6.328 -5.041 -1.402 717 HZ PHE 91 HZ PHE 91 8.455 -4.581 -2.536 718 H ASN 92 H ASN 92 7.209 -11.100 -4.958 719 HA ASN 92 HA ASN 92 5.352 -13.255 -5.722 720 HB2 ASN 92 HB2 ASN 92 8.237 -12.859 -6.547 721 HB3 ASN 92 HB3 ASN 92 7.249 -14.253 -6.967 722 HD21 ASN 92 HD21 ASN 92 8.578 -12.301 -8.670 723 HD22 ASN 92 HD22 ASN 92 7.343 -11.610 -9.662 724 H ASN 93 H ASN 93 7.254 -12.077 -3.329 725 HA ASN 93 HA ASN 93 7.480 -14.729 -2.114 726 HB2 ASN 93 HB2 ASN 93 9.694 -14.111 -2.987 727 HB3 ASN 93 HB3 ASN 93 9.625 -12.592 -2.112 728 HD21 ASN 93 HD21 ASN 93 9.877 -16.062 -1.771 729 HD22 ASN 93 HD22 ASN 93 10.550 -16.043 -0.183 730 H ARG 94 H ARG 94 6.806 -14.811 -0.062 731 HA ARG 94 HA ARG 94 5.397 -12.515 0.884 732 HB2 ARG 94 HB2 ARG 94 4.705 -14.993 1.084 733 HB3 ARG 94 HB3 ARG 94 5.762 -15.026 2.484 734 HG2 ARG 94 HG2 ARG 94 3.705 -12.889 2.297 735 HG3 ARG 94 HG3 ARG 94 3.199 -14.525 2.726 736 HD2 ARG 94 HD2 ARG 94 4.521 -14.535 4.650 737 HD3 ARG 94 HD3 ARG 94 5.466 -13.152 4.111 738 HE ARG 94 HE ARG 94 2.824 -12.310 4.369 739 HH11 ARG 94 HH11 ARG 94 5.337 -13.581 6.437 740 HH12 ARG 94 HH12 ARG 94 4.864 -12.639 7.813 741 HH21 ARG 94 HH21 ARG 94 2.185 -11.067 6.174 742 HH22 ARG 94 HH22 ARG 94 3.053 -11.209 7.670 743 H THR 95 H THR 95 8.489 -13.918 1.503 744 HA THR 95 HA THR 95 8.902 -12.657 4.038 745 HB THR 95 HB THR 95 10.871 -13.727 2.013 746 HG1 THR 95 HG1 THR 95 9.257 -14.966 3.655 747 HG21 THR 95 HG21 THR 95 11.359 -12.839 4.853 748 HG22 THR 95 HG22 THR 95 11.861 -11.969 3.403 749 HG23 THR 95 HG23 THR 95 12.549 -13.556 3.765 750 H VAL 96 H VAL 96 9.982 -11.911 0.733 751 HA VAL 96 HA VAL 96 11.132 -9.428 1.186 752 HB VAL 96 HB VAL 96 9.466 -10.287 -1.209 753 HG11 VAL 96 HG21 VAL 96 9.663 -7.886 -1.196 754 HG12 VAL 96 HG22 VAL 96 10.795 -8.517 -2.400 755 HG13 VAL 96 HG23 VAL 96 11.390 -7.976 -0.828 756 HG21 VAL 96 HG13 VAL 96 12.454 -10.380 -0.694 757 HG22 VAL 96 HG11 VAL 96 11.675 -10.769 -2.230 758 HG23 VAL 96 HG12 VAL 96 11.366 -11.763 -0.805 759 H MET 97 H MET 97 7.781 -10.047 0.175 760 HA MET 97 HA MET 97 7.037 -7.366 0.384 761 HB2 MET 97 HB3 MET 97 4.795 -8.108 0.221 762 HB3 MET 97 HB2 MET 97 5.792 -9.197 -0.745 763 HG2 MET 97 HG3 MET 97 4.857 -10.871 0.289 764 HG3 MET 97 HG2 MET 97 5.660 -10.354 1.779 765 HE1 MET 97 HE1 MET 97 4.357 -10.112 3.835 766 HE2 MET 97 HE2 MET 97 2.937 -9.073 3.964 767 HE3 MET 97 HE3 MET 97 4.461 -8.418 3.361 768 H ASP 98 H ASP 98 7.352 -9.887 2.812 769 HA ASP 98 HA ASP 98 6.094 -8.547 4.971 770 HB2 ASP 98 HB2 ASP 98 6.728 -10.925 5.067 771 HB3 ASP 98 HB3 ASP 98 8.441 -10.461 4.978 772 H ASN 99 H ASN 99 9.348 -8.542 3.697 773 HA ASN 99 HA ASN 99 10.355 -6.986 5.896 774 HB2 ASN 99 HB2 ASN 99 12.510 -7.176 4.798 775 HB3 ASN 99 HB3 ASN 99 11.699 -8.714 4.777 776 HD21 ASN 99 HD21 ASN 99 12.571 -9.693 3.220 777 HD22 ASN 99 HD22 ASN 99 12.551 -9.175 1.582 778 H ILE 100 H ILE 100 9.166 -6.431 2.746 779 HA ILE 100 HA ILE 100 9.822 -3.657 2.534 780 HB ILE 100 HB ILE 100 7.630 -5.328 1.272 781 HG12 ILE 100 HG13 ILE 100 9.992 -5.864 0.674 782 HG13 ILE 100 HG12 ILE 100 9.026 -5.318 -0.691 783 HG21 ILE 100 HG21 ILE 100 8.453 -2.503 0.646 784 HG22 ILE 100 HG22 ILE 100 6.910 -3.018 1.318 785 HG23 ILE 100 HG23 ILE 100 7.356 -3.478 -0.325 786 HD11 ILE 100 HD11 ILE 100 11.187 -4.310 -0.803 787 HD12 ILE 100 HD12 ILE 100 11.043 -3.717 0.851 788 HD13 ILE 100 HD13 ILE 100 9.997 -3.067 -0.411 789 H LYS 101 H LYS 101 6.714 -5.305 3.467 790 HA LYS 101 HA LYS 101 5.312 -2.995 3.996 791 HB2 LYS 101 HB2 LYS 101 3.949 -4.506 5.484 792 HB3 LYS 101 HB3 LYS 101 4.041 -4.926 3.785 793 HG2 LYS 101 HG2 LYS 101 5.036 -6.824 4.233 794 HG3 LYS 101 HG3 LYS 101 6.148 -6.074 5.359 795 HD2 LYS 101 HD2 LYS 101 3.367 -6.471 6.289 796 HD3 LYS 101 HD3 LYS 101 4.372 -7.912 6.116 797 HE2 LYS 101 HE2 LYS 101 6.116 -6.302 7.385 798 HE3 LYS 101 HE3 LYS 101 4.594 -5.649 8.007 799 HZ1 LYS 101 HZ1 LYS 101 3.991 -7.962 8.641 800 HZ2 LYS 101 HZ2 LYS 101 5.323 -7.344 9.476 801 HZ3 LYS 101 HZ3 LYS 101 5.557 -8.451 8.214 802 H MET 102 H MET 102 7.428 -4.942 6.062 803 HA MET 102 HA MET 102 6.661 -3.669 8.497 804 HB2 MET 102 HB3 MET 102 8.425 -4.891 9.538 805 HB3 MET 102 HB2 MET 102 7.737 -5.955 8.322 806 HG2 MET 102 HG3 MET 102 9.561 -5.404 6.809 807 HG3 MET 102 HG2 MET 102 10.237 -4.350 8.028 808 HE1 MET 102 HE1 MET 102 11.312 -6.820 10.832 809 HE2 MET 102 HE2 MET 102 9.762 -5.988 10.716 810 HE3 MET 102 HE3 MET 102 11.250 -5.141 10.297 811 H THR 103 H THR 103 8.960 -3.047 5.990 812 HA THR 103 HA THR 103 10.508 -1.093 7.304 813 HB THR 103 HB THR 103 9.890 -1.603 4.395 814 HG1 THR 103 HG1 THR 103 11.330 -3.095 4.862 815 HG21 THR 103 HG21 THR 103 11.889 0.349 5.505 816 HG22 THR 103 HG22 THR 103 10.392 0.764 4.665 817 HG23 THR 103 HG23 THR 103 11.683 -0.094 3.807 818 H LEU 104 H LEU 104 7.757 -0.895 5.084 819 HA LEU 104 HA LEU 104 7.549 1.912 5.165 820 HB2 LEU 104 HB2 LEU 104 5.433 -0.130 4.495 821 HB3 LEU 104 HB3 LEU 104 5.342 1.568 4.132 822 HG LEU 104 HG LEU 104 7.599 -0.020 3.018 823 HD11 LEU 104 HD11 LEU 104 6.181 -0.462 1.025 824 HD12 LEU 104 HD12 LEU 104 4.784 -0.021 2.008 825 HD13 LEU 104 HD13 LEU 104 5.773 -1.410 2.452 826 HD21 LEU 104 HD21 LEU 104 5.961 2.251 1.963 827 HD22 LEU 104 HD22 LEU 104 7.402 1.564 1.202 828 HD23 LEU 104 HD23 LEU 104 7.536 2.408 2.743 829 H GLN 105 H GLN 105 5.470 -0.568 6.654 830 HA GLN 105 HA GLN 105 3.794 1.122 8.052 831 HB2 GLN 105 HB2 GLN 105 4.817 -1.551 8.991 832 HB3 GLN 105 HB3 GLN 105 3.437 -0.710 9.678 833 HG2 GLN 105 HG2 GLN 105 2.375 -0.801 7.424 834 HG3 GLN 105 HG3 GLN 105 3.707 -1.828 6.907 835 HE21 GLN 105 HE21 GLN 105 3.913 -3.883 7.811 836 HE22 GLN 105 HE22 GLN 105 2.578 -4.671 8.565 837 H GLN 106 H GLN 106 7.114 0.330 8.873 838 HA GLN 106 HA GLN 106 6.972 1.157 11.589 839 HB2 GLN 106 HB2 GLN 106 9.103 0.538 9.645 840 HB3 GLN 106 HB3 GLN 106 9.541 1.490 11.037 841 HG2 GLN 106 HG2 GLN 106 8.638 -0.283 12.492 842 HG3 GLN 106 HG3 GLN 106 8.302 -1.243 11.050 843 HE21 GLN 106 HE21 GLN 106 10.011 -2.100 9.878 844 HE22 GLN 106 HE22 GLN 106 11.594 -2.267 10.555 845 H ILE 107 H ILE 107 7.352 2.651 8.557 846 HA ILE 107 HA ILE 107 8.129 5.261 9.515 847 HB ILE 107 HB ILE 107 7.040 4.351 6.837 848 HG12 ILE 107 HG13 ILE 107 9.928 4.895 7.454 849 HG13 ILE 107 HG12 ILE 107 9.230 3.299 7.666 850 HG21 ILE 107 HG21 ILE 107 8.448 6.888 7.618 851 HG22 ILE 107 HG22 ILE 107 6.749 6.704 7.164 852 HG23 ILE 107 HG23 ILE 107 8.017 6.419 5.975 853 HD11 ILE 107 HD11 ILE 107 10.267 3.302 5.560 854 HD12 ILE 107 HD12 ILE 107 9.574 4.866 5.135 855 HD13 ILE 107 HD13 ILE 107 8.540 3.446 5.241 856 H ILE 108 H ILE 108 5.243 3.610 8.336 857 HA ILE 108 HA ILE 108 3.594 5.912 8.221 858 HB ILE 108 HB ILE 108 2.602 3.095 8.625 859 HG12 ILE 108 HG13 ILE 108 4.083 4.334 6.373 860 HG13 ILE 108 HG12 ILE 108 4.109 2.680 6.940 861 HG21 ILE 108 HG21 ILE 108 0.995 5.008 8.594 862 HG22 ILE 108 HG22 ILE 108 0.717 3.799 7.342 863 HG23 ILE 108 HG23 ILE 108 1.497 5.332 6.935 864 HD11 ILE 108 HD11 ILE 108 2.095 3.999 5.168 865 HD12 ILE 108 HD12 ILE 108 1.816 2.434 5.934 866 HD13 ILE 108 HD13 ILE 108 3.159 2.639 4.807 867 H SER 109 H SER 109 3.797 3.304 10.636 868 HA SER 109 HA SER 109 2.075 4.449 12.534 869 HB2 SER 109 HB3 SER 109 4.466 2.645 12.979 870 HB3 SER 109 HB2 SER 109 3.189 2.961 14.152 871 HG SER 109 HG SER 109 3.228 1.150 12.209 872 H ARG 110 H ARG 110 5.280 5.169 11.594 873 HA ARG 110 HA ARG 110 6.076 6.661 13.874 874 HB2 ARG 110 HB2 ARG 110 7.958 6.130 12.684 875 HB3 ARG 110 HB3 ARG 110 7.077 6.047 11.190 876 HG2 ARG 110 HG2 ARG 110 7.118 8.425 10.982 877 HG3 ARG 110 HG3 ARG 110 8.049 8.556 12.483 878 HD2 ARG 110 HD2 ARG 110 9.802 7.181 11.489 879 HD3 ARG 110 HD3 ARG 110 8.872 7.049 10.007 880 HE ARG 110 HE ARG 110 9.342 9.769 10.675 881 HH11 ARG 110 HH11 ARG 110 10.916 6.939 9.359 882 HH12 ARG 110 HH12 ARG 110 12.030 7.848 8.394 883 HH21 ARG 110 HH21 ARG 110 10.780 10.977 9.389 884 HH22 ARG 110 HH22 ARG 110 11.944 10.155 8.395 885 H TYR 111 H TYR 111 4.271 7.307 10.955 886 HA TYR 111 HA TYR 111 4.338 10.166 11.465 887 HB2 TYR 111 HB3 TYR 111 3.655 8.491 9.112 888 HB3 TYR 111 HB2 TYR 111 2.942 10.093 9.232 889 HD1 TYR 111 HD2 TYR 111 4.519 12.086 9.533 890 HD2 TYR 111 HD1 TYR 111 5.845 8.219 8.416 891 HE1 TYR 111 HE2 TYR 111 6.622 13.056 8.706 892 HE2 TYR 111 HE1 TYR 111 7.959 9.166 7.583 893 HH TYR 111 HH TYR 111 8.915 12.367 8.258 894 H LYS 112 H LYS 112 2.230 7.446 11.725 895 HA LYS 112 HA LYS 112 -0.169 8.978 12.125 896 HB2 LYS 112 HB2 LYS 112 0.506 6.121 12.877 897 HB3 LYS 112 HB3 LYS 112 -1.091 6.844 13.012 898 HG2 LYS 112 HG2 LYS 112 -1.498 6.660 10.814 899 HG3 LYS 112 HG3 LYS 112 0.165 7.066 10.370 900 HD2 LYS 112 HD2 LYS 112 -0.276 4.776 9.762 901 HD3 LYS 112 HD3 LYS 112 0.865 4.816 11.093 902 HE2 LYS 112 HE2 LYS 112 -0.687 3.102 11.534 903 HE3 LYS 112 HE3 LYS 112 -1.047 4.423 12.640 904 HZ1 LYS 112 HZ1 LYS 112 -2.505 3.797 10.131 905 HZ2 LYS 112 HZ2 LYS 112 -2.846 5.102 11.151 906 HZ3 LYS 112 HZ3 LYS 112 -3.065 3.520 11.701 907 H ASP 113 H ASP 113 2.539 8.027 14.001 908 HA ASP 113 HA ASP 113 1.437 8.521 16.573 909 HB2 ASP 113 HB2 ASP 113 3.515 7.234 16.227 910 HB3 ASP 113 HB3 ASP 113 4.309 8.685 15.626 911 H ALA 114 H ALA 114 2.391 10.483 13.976 912 HA ALA 114 HA ALA 114 2.422 12.874 15.695 913 HB1 ALA 114 HB1 ALA 114 4.537 12.498 14.521 914 HB2 ALA 114 HB2 ALA 114 3.743 13.973 13.972 915 HB3 ALA 114 HB3 ALA 114 3.681 12.517 12.978 916 H ASP 115 H ASP 115 0.140 11.373 14.411 917 HA ASP 115 HA ASP 115 -0.935 13.577 12.781 918 HB2 ASP 115 HB2 ASP 115 -0.850 11.395 11.618 919 HB3 ASP 115 HB3 ASP 115 -1.848 10.692 12.881 920 H1 GLY 242 H1 GLY 242 -20.967 -3.215 16.491 921 H2 GLY 242 H2 GLY 242 -19.547 -4.066 16.163 922 H3 GLY 242 H3 GLY 242 -21.050 -4.759 15.817 923 HA2 GLY 242 HA2 GLY 242 -19.914 -2.360 14.504 924 HA3 GLY 242 HA3 GLY 242 -19.981 -3.971 13.803 925 H GLY 243 H GLY 243 -21.108 -2.397 12.187 926 HA2 GLY 243 HA3 GLY 243 -23.499 -3.049 11.456 927 HA3 GLY 243 HA2 GLY 243 -23.954 -2.131 12.884 928 H GLY 244 H GLY 244 -23.144 0.140 12.961 929 HA2 GLY 244 HA3 GLY 244 -22.493 2.127 11.819 930 HA3 GLY 244 HA2 GLY 244 -22.827 1.321 10.293 931 H GLY 245 H GLY 245 -23.928 3.510 10.030 932 HA2 GLY 245 HA3 GLY 245 -26.459 3.777 11.429 933 HA3 GLY 245 HA2 GLY 245 -25.799 4.891 10.240 934 H TYR 246 H TYR 246 -25.309 2.552 8.419 935 HA TYR 246 HA TYR 246 -26.298 1.525 6.658 936 HB2 TYR 246 HB3 TYR 246 -28.678 1.401 8.520 937 HB3 TYR 246 HB2 TYR 246 -28.593 0.588 6.964 938 HD1 TYR 246 HD2 TYR 246 -26.869 -1.216 6.627 939 HD2 TYR 246 HD1 TYR 246 -27.718 0.443 10.450 940 HE1 TYR 246 HE2 TYR 246 -25.837 -3.172 7.698 941 HE2 TYR 246 HE1 TYR 246 -26.688 -1.507 11.532 942 HH TYR 246 HH TYR 246 -24.808 -3.783 9.823 943 H ASP 247 H ASP 247 -26.615 4.513 7.212 944 HA ASP 247 HA ASP 247 -29.080 5.252 5.951 945 HB2 ASP 247 HB2 ASP 247 -26.595 6.880 6.531 946 HB3 ASP 247 HB3 ASP 247 -28.120 7.544 5.955 947 H VAL 248 H VAL 248 -29.498 5.260 3.864 948 HA VAL 248 HA VAL 248 -29.205 4.539 1.720 949 HB VAL 248 HB VAL 248 -28.024 6.192 0.307 950 HG11 VAL 248 HG21 VAL 248 -30.341 6.523 0.907 951 HG12 VAL 248 HG22 VAL 248 -29.504 8.074 0.835 952 HG13 VAL 248 HG23 VAL 248 -29.861 7.337 2.395 953 HG21 VAL 248 HG13 VAL 248 -27.338 7.530 2.922 954 HG22 VAL 248 HG11 VAL 248 -27.142 8.251 1.324 955 HG23 VAL 248 HG12 VAL 248 -26.195 6.832 1.774 956 H GLU 249 H GLU 249 -27.879 2.776 3.012 957 HA GLU 249 HA GLU 249 -25.091 2.725 2.820 958 HB2 GLU 249 HB2 GLU 249 -26.279 1.316 4.392 959 HB3 GLU 249 HB3 GLU 249 -27.051 0.443 3.074 960 HG2 GLU 249 HG3 GLU 249 -24.908 -0.427 2.359 961 HG3 GLU 249 HG2 GLU 249 -24.092 0.496 3.620 962 H MET 250 H MET 250 -23.915 2.701 1.114 963 HA MET 250 HA MET 250 -24.378 0.763 -1.017 964 HB2 MET 250 HB3 MET 250 -24.078 3.744 -1.496 965 HB3 MET 250 HB2 MET 250 -23.832 2.535 -2.744 966 HG2 MET 250 HG3 MET 250 -26.403 2.976 -1.245 967 HG3 MET 250 HG2 MET 250 -26.041 3.603 -2.852 968 HE1 MET 250 HE1 MET 250 -25.750 2.116 -4.996 969 HE2 MET 250 HE2 MET 250 -25.804 0.353 -4.996 970 HE3 MET 250 HE3 MET 250 -24.469 1.195 -4.212 971 H GLU 251 H GLU 251 -22.729 1.274 1.289 972 HA GLU 251 HA GLU 251 -20.276 2.483 0.615 973 HB2 GLU 251 HB2 GLU 251 -20.958 0.642 2.887 974 HB3 GLU 251 HB3 GLU 251 -19.628 1.784 2.834 975 HG2 GLU 251 HG3 GLU 251 -22.540 2.260 3.214 976 HG3 GLU 251 HG2 GLU 251 -21.172 2.864 4.139 977 H SER 252 H SER 252 -18.225 1.482 0.391 978 HA SER 252 HA SER 252 -18.228 -1.420 -0.051 979 HB2 SER 252 HB3 SER 252 -17.057 0.574 -2.007 980 HB3 SER 252 HB2 SER 252 -17.023 -1.182 -2.160 981 HG SER 252 HG SER 252 -19.545 -0.319 -1.755 982 H GLU 253 H GLU 253 -17.084 0.876 1.750 983 HA GLU 253 HA GLU 253 -14.249 0.688 1.422 984 HB2 GLU 253 HB2 GLU 253 -15.984 1.839 3.611 985 HB3 GLU 253 HB3 GLU 253 -14.229 1.894 3.654 986 HG2 GLU 253 HG3 GLU 253 -15.202 3.995 2.867 987 HG3 GLU 253 HG2 GLU 253 -14.183 3.241 1.643 988 H GLU 254 H GLU 254 -16.689 -0.973 3.234 989 HA GLU 254 HA GLU 254 -14.993 -2.309 5.067 990 HB2 GLU 254 HB2 GLU 254 -17.584 -3.391 3.960 991 HB3 GLU 254 HB3 GLU 254 -16.843 -3.763 5.505 992 HG2 GLU 254 HG3 GLU 254 -18.478 -2.343 6.159 993 HG3 GLU 254 HG2 GLU 254 -17.167 -1.195 5.916 994 H GLU 255 H GLU 255 -16.093 -3.051 1.801 995 HA GLU 255 HA GLU 255 -14.863 -5.626 1.670 996 HB2 GLU 255 HB2 GLU 255 -15.695 -3.772 -0.563 997 HB3 GLU 255 HB3 GLU 255 -15.261 -5.461 -0.752 998 HG2 GLU 255 HG3 GLU 255 -17.175 -6.091 0.643 999 HG3 GLU 255 HG2 GLU 255 -17.619 -4.389 0.774 1000 H SER 256 H SER 256 -13.811 -2.383 1.245 1001 HA SER 256 HA SER 256 -11.430 -3.144 -0.236 1002 HB2 SER 256 HB3 SER 256 -12.377 -0.429 0.705 1003 HB3 SER 256 HB2 SER 256 -11.035 -0.732 -0.396 1004 HG SER 256 HG SER 256 -13.806 -1.028 -0.825 1005 H ASP 257 H ASP 257 -12.140 -3.573 2.782 1006 HA ASP 257 HA ASP 257 -10.026 -2.135 4.121 1007 HB2 ASP 257 HB2 ASP 257 -12.170 -2.595 5.260 1008 HB3 ASP 257 HB3 ASP 257 -11.841 -4.321 5.161 1009 H ASP 258 H ASP 258 -10.776 -5.587 3.652 1010 HA ASP 258 HA ASP 258 -8.125 -6.311 4.577 1011 HB2 ASP 258 HB2 ASP 258 -10.115 -7.559 5.314 1012 HB3 ASP 258 HB3 ASP 258 -10.447 -8.009 3.650 1013 H ASP 259 H ASP 259 -10.014 -7.483 1.815 1014 HA ASP 259 HA ASP 259 -9.447 -8.125 -0.282 1015 HB2 ASP 259 HB2 ASP 259 -7.698 -5.708 0.060 1016 HB3 ASP 259 HB3 ASP 259 -7.652 -6.658 -1.420 1017 H GLY 260 H GLY 260 -8.033 -9.324 1.994 1018 HA2 GLY 260 HA3 GLY 260 -6.719 -11.258 1.846 1019 HA3 GLY 260 HA2 GLY 260 -5.988 -10.632 0.374 1020 H PHE 261 H PHE 261 -5.946 -8.072 2.359 1021 HA PHE 261 HA PHE 261 -3.238 -8.725 3.306 1022 HB2 PHE 261 HB3 PHE 261 -4.198 -5.959 2.594 1023 HB3 PHE 261 HB2 PHE 261 -2.546 -6.488 2.865 1024 HD1 PHE 261 HD2 PHE 261 -3.224 -9.080 1.028 1025 HD2 PHE 261 HD1 PHE 261 -3.391 -4.860 0.586 1026 HE1 PHE 261 HE2 PHE 261 -2.958 -9.327 -1.401 1027 HE2 PHE 261 HE1 PHE 261 -3.129 -5.096 -1.840 1028 HZ PHE 261 HZ PHE 261 -2.911 -7.334 -2.842 1029 H VAL 262 H VAL 262 -2.525 -7.471 5.174 1030 HA VAL 262 HA VAL 262 -4.626 -6.169 6.722 1031 HB VAL 262 HB VAL 262 -4.619 -8.525 7.466 1032 HG11 VAL 262 HG21 VAL 262 -2.306 -9.087 6.994 1033 HG12 VAL 262 HG22 VAL 262 -2.691 -9.425 8.683 1034 HG13 VAL 262 HG23 VAL 262 -1.763 -7.986 8.261 1035 HG21 VAL 262 HG13 VAL 262 -4.419 -8.110 9.851 1036 HG22 VAL 262 HG11 VAL 262 -5.212 -6.757 9.045 1037 HG23 VAL 262 HG12 VAL 262 -3.521 -6.626 9.531 1038 H GLU 263 H GLU 263 -3.856 -4.421 7.894 1039 HA GLU 263 HA GLU 263 -1.045 -3.814 7.702 1040 HB2 GLU 263 HB2 GLU 263 -1.655 -1.823 9.160 1041 HB3 GLU 263 HB3 GLU 263 -2.411 -1.885 7.579 1042 HG2 GLU 263 HG3 GLU 263 -4.492 -2.466 8.480 1043 HG3 GLU 263 HG2 GLU 263 -3.796 -2.869 10.053 1044 H VAL 264 H VAL 264 0.460 -4.378 9.092 1045 HA VAL 264 HA VAL 264 -0.422 -5.900 11.443 1046 HB VAL 264 HB VAL 264 2.210 -6.053 9.955 1047 HG11 VAL 264 HG21 VAL 264 2.423 -6.646 12.320 1048 HG12 VAL 264 HG22 VAL 264 2.609 -8.067 11.292 1049 HG13 VAL 264 HG23 VAL 264 1.098 -7.798 12.156 1050 HG21 VAL 264 HG13 VAL 264 0.350 -6.889 8.610 1051 HG22 VAL 264 HG11 VAL 264 -0.152 -7.936 9.938 1052 HG23 VAL 264 HG12 VAL 264 1.393 -8.214 9.131 1053 H ASP 265 H ASP 265 -0.449 -4.536 13.113 1054 HA ASP 265 HA ASP 265 1.904 -2.856 13.600 1055 HB2 ASP 265 HB2 ASP 265 0.574 -1.604 15.156 1056 HB3 ASP 265 HB3 ASP 265 -0.376 -1.794 13.702 Start of MODEL 18 1 H2 PRO 1 H2 PRO 1 17.432 -7.395 -0.274 2 H3 PRO 1 H3 PRO 1 16.844 -8.018 1.116 3 HA PRO 1 HA PRO 1 15.615 -6.461 -0.693 4 HB2 PRO 1 HB3 PRO 1 13.779 -8.737 -0.435 5 HB3 PRO 1 HB2 PRO 1 14.111 -7.704 -1.834 6 HG2 PRO 1 HG3 PRO 1 15.017 -10.235 -1.689 7 HG3 PRO 1 HG2 PRO 1 15.929 -8.946 -2.493 8 HD2 PRO 1 HD2 PRO 1 16.326 -10.134 0.230 9 HD3 PRO 1 HD3 PRO 1 17.536 -9.684 -0.983 10 H SER 2 H SER 2 15.868 -5.461 1.423 11 HA SER 2 HA SER 2 13.764 -6.278 3.301 12 HB2 SER 2 HB3 SER 2 15.110 -4.931 4.983 13 HB3 SER 2 HB2 SER 2 15.861 -6.417 4.417 14 HG SER 2 HG SER 2 17.473 -5.129 4.006 15 H HIS 3 H HIS 3 15.530 -3.279 2.521 16 HA HIS 3 HA HIS 3 13.035 -1.763 2.758 17 HB2 HIS 3 HB3 HIS 3 15.822 -0.698 2.241 18 HB3 HIS 3 HB2 HIS 3 14.415 0.225 2.741 19 HD1 HIS 3 HD1 HIS 3 17.413 -1.086 4.067 20 HD2 HIS 3 HD2 HIS 3 13.509 -0.813 5.462 21 HE1 HIS 3 HE1 HIS 3 17.573 -1.312 6.563 22 HE2 HIS 3 HE2 HIS 3 15.228 -0.916 7.393 23 H SER 4 H SER 4 13.853 -3.594 0.555 24 HA SER 4 HA SER 4 12.988 -2.060 -1.692 25 HB2 SER 4 HB3 SER 4 15.014 -2.417 -3.087 26 HB3 SER 4 HB2 SER 4 15.316 -1.332 -1.730 27 HG SER 4 HG SER 4 16.021 -4.077 -1.932 28 H GLY 5 H GLY 5 12.408 -3.446 -3.434 29 HA2 GLY 5 HA3 GLY 5 13.091 -6.176 -3.613 30 HA3 GLY 5 HA2 GLY 5 11.582 -6.026 -2.716 31 H ALA 6 H ALA 6 12.234 -7.100 -5.470 32 HA ALA 6 HA ALA 6 11.153 -5.229 -7.323 33 HB1 ALA 6 HB1 ALA 6 11.549 -8.195 -7.656 34 HB2 ALA 6 HB2 ALA 6 12.739 -6.943 -8.017 35 HB3 ALA 6 HB3 ALA 6 11.242 -7.028 -8.943 36 H ALA 7 H ALA 7 9.031 -4.778 -7.667 37 HA ALA 7 HA ALA 7 7.029 -6.805 -6.924 38 HB1 ALA 7 HB1 ALA 7 5.577 -5.068 -5.997 39 HB2 ALA 7 HB2 ALA 7 6.835 -3.864 -6.287 40 HB3 ALA 7 HB3 ALA 7 7.110 -5.162 -5.125 41 H ILE 8 H ILE 8 5.006 -6.594 -7.935 42 HA ILE 8 HA ILE 8 5.089 -5.376 -10.602 43 HB ILE 8 HB ILE 8 3.205 -7.388 -9.349 44 HG12 ILE 8 HG13 ILE 8 4.004 -8.822 -11.281 45 HG13 ILE 8 HG12 ILE 8 5.238 -7.609 -11.571 46 HG21 ILE 8 HG21 ILE 8 1.926 -5.910 -10.762 47 HG22 ILE 8 HG22 ILE 8 2.064 -7.502 -11.510 48 HG23 ILE 8 HG23 ILE 8 3.056 -6.165 -12.091 49 HD11 ILE 8 HD11 ILE 8 4.910 -9.229 -9.058 50 HD12 ILE 8 HD12 ILE 8 6.155 -8.013 -9.346 51 HD13 ILE 8 HD13 ILE 8 6.118 -9.485 -10.317 52 H PHE 9 H PHE 9 4.064 -3.557 -11.002 53 HA PHE 9 HA PHE 9 1.947 -2.720 -9.160 54 HB2 PHE 9 HB3 PHE 9 3.988 -1.533 -8.566 55 HB3 PHE 9 HB2 PHE 9 4.214 -1.033 -10.234 56 HD1 PHE 9 HD1 PHE 9 1.863 -0.696 -7.372 57 HD2 PHE 9 HD2 PHE 9 3.419 1.008 -10.943 58 HE1 PHE 9 HE1 PHE 9 0.672 1.401 -6.892 59 HE2 PHE 9 HE2 PHE 9 2.221 3.100 -10.471 60 HZ PHE 9 HZ PHE 9 0.845 3.300 -8.443 61 H GLU 10 H GLU 10 0.181 -2.868 -10.376 62 HA GLU 10 HA GLU 10 -1.329 -2.615 -12.037 63 HB2 GLU 10 HB2 GLU 10 0.577 -0.548 -13.143 64 HB3 GLU 10 HB3 GLU 10 -1.097 -0.772 -13.626 65 HG2 GLU 10 HG3 GLU 10 -1.768 -0.259 -11.286 66 HG3 GLU 10 HG2 GLU 10 -0.087 0.154 -10.953 67 H LYS 11 H LYS 11 -0.014 -4.755 -12.276 68 HA LYS 11 HA LYS 11 0.165 -6.476 -13.710 69 HB2 LYS 11 HB2 LYS 11 -0.433 -4.529 -15.920 70 HB3 LYS 11 HB3 LYS 11 -0.573 -6.284 -15.992 71 HG2 LYS 11 HG2 LYS 11 -2.136 -4.522 -14.149 72 HG3 LYS 11 HG3 LYS 11 -2.739 -5.145 -15.672 73 HD2 LYS 11 HD2 LYS 11 -2.959 -7.240 -14.851 74 HD3 LYS 11 HD3 LYS 11 -1.661 -7.049 -13.691 75 HE2 LYS 11 HE2 LYS 11 -3.682 -7.143 -12.453 76 HE3 LYS 11 HE3 LYS 11 -3.140 -5.466 -12.467 77 HZ1 LYS 11 HZ1 LYS 11 -5.515 -5.646 -12.870 78 HZ2 LYS 11 HZ2 LYS 11 -5.227 -6.594 -14.242 79 HZ3 LYS 11 HZ3 LYS 11 -4.720 -4.982 -14.207 80 H VAL 12 H VAL 12 2.224 -3.829 -13.876 81 HA VAL 12 HA VAL 12 4.085 -5.286 -15.612 82 HB VAL 12 HB VAL 12 4.034 -3.138 -16.480 83 HG11 VAL 12 HG21 VAL 12 4.013 -1.083 -15.153 84 HG12 VAL 12 HG22 VAL 12 4.016 -2.042 -13.673 85 HG13 VAL 12 HG23 VAL 12 2.637 -2.118 -14.771 86 HG21 VAL 12 HG13 VAL 12 6.245 -3.156 -14.431 87 HG22 VAL 12 HG11 VAL 12 6.137 -2.006 -15.771 88 HG23 VAL 12 HG12 VAL 12 6.325 -3.728 -16.100 89 H SER 13 H SER 13 5.847 -6.211 -14.841 90 HA SER 13 HA SER 13 6.359 -6.205 -12.016 91 HB2 SER 13 HB3 SER 13 8.236 -7.760 -12.674 92 HB3 SER 13 HB2 SER 13 6.629 -8.292 -13.171 93 HG SER 13 HG SER 13 8.061 -6.709 -14.970 94 H GLY 14 H GLY 14 7.701 -4.942 -10.960 95 HA2 GLY 14 HA3 GLY 14 9.975 -3.766 -12.334 96 HA3 GLY 14 HA2 GLY 14 8.830 -2.674 -11.588 97 H ILE 15 H ILE 15 10.466 -1.915 -10.175 98 HA ILE 15 HA ILE 15 11.104 -3.797 -8.043 99 HB ILE 15 HB ILE 15 12.905 -1.551 -8.810 100 HG12 ILE 15 HG13 ILE 15 12.645 -3.154 -10.704 101 HG13 ILE 15 HG12 ILE 15 14.267 -3.047 -10.075 102 HG21 ILE 15 HG21 ILE 15 13.377 -4.053 -7.212 103 HG22 ILE 15 HG22 ILE 15 13.200 -2.421 -6.565 104 HG23 ILE 15 HG23 ILE 15 14.588 -2.826 -7.575 105 HD11 ILE 15 HD11 ILE 15 12.315 -5.231 -9.474 106 HD12 ILE 15 HD12 ILE 15 13.994 -5.147 -8.935 107 HD13 ILE 15 HD13 ILE 15 13.623 -5.312 -10.655 108 H ILE 16 H ILE 16 11.340 -2.906 -5.960 109 HA ILE 16 HA ILE 16 10.093 -0.266 -5.613 110 HB ILE 16 HB ILE 16 9.115 -2.817 -4.740 111 HG12 ILE 16 HG13 ILE 16 8.108 -0.023 -4.205 112 HG13 ILE 16 HG12 ILE 16 7.851 -0.908 -5.702 113 HG21 ILE 16 HG21 ILE 16 10.395 -2.490 -2.692 114 HG22 ILE 16 HG22 ILE 16 8.672 -2.298 -2.372 115 HG23 ILE 16 HG23 ILE 16 9.709 -0.876 -2.498 116 HD11 ILE 16 HD11 ILE 16 6.604 -2.607 -4.491 117 HD12 ILE 16 HD12 ILE 16 5.903 -1.006 -4.254 118 HD13 ILE 16 HD13 ILE 16 6.882 -1.739 -2.983 119 H ALA 17 H ALA 17 11.186 1.076 -4.317 120 HA ALA 17 HA ALA 17 13.021 -0.094 -2.355 121 HB1 ALA 17 HB1 ALA 17 14.706 1.619 -2.903 122 HB2 ALA 17 HB2 ALA 17 13.724 2.096 -4.294 123 HB3 ALA 17 HB3 ALA 17 14.410 0.468 -4.204 124 H ILE 18 H ILE 18 12.244 0.539 -0.460 125 HA ILE 18 HA ILE 18 11.123 3.163 -0.049 126 HB ILE 18 HB ILE 18 11.898 1.213 2.110 127 HG12 ILE 18 HG13 ILE 18 9.257 0.862 2.002 128 HG13 ILE 18 HG12 ILE 18 9.527 1.229 0.302 129 HG21 ILE 18 HG21 ILE 18 9.894 3.471 2.052 130 HG22 ILE 18 HG22 ILE 18 11.500 3.548 2.780 131 HG23 ILE 18 HG23 ILE 18 10.280 2.450 3.439 132 HD11 ILE 18 HD11 ILE 18 9.530 -1.161 0.769 133 HD12 ILE 18 HD12 ILE 18 10.916 -0.943 1.833 134 HD13 ILE 18 HD13 ILE 18 11.062 -0.602 0.109 135 H ASN 19 H ASN 19 12.380 4.877 0.441 136 HA ASN 19 HA ASN 19 15.018 4.389 1.654 137 HB2 ASN 19 HB2 ASN 19 15.611 4.990 -0.527 138 HB3 ASN 19 HB3 ASN 19 14.259 6.104 -0.685 139 HD21 ASN 19 HD21 ASN 19 14.460 8.182 0.007 140 HD22 ASN 19 HD22 ASN 19 15.964 8.877 0.507 141 H GLU 20 H GLU 20 15.087 5.302 3.676 142 HA GLU 20 HA GLU 20 13.763 7.928 3.764 143 HB2 GLU 20 HB2 GLU 20 14.931 6.410 6.108 144 HB3 GLU 20 HB3 GLU 20 13.855 7.792 6.162 145 HG2 GLU 20 HG3 GLU 20 12.027 6.493 5.370 146 HG3 GLU 20 HG2 GLU 20 13.081 5.121 5.069 147 H ASP 21 H ASP 21 15.653 8.513 2.359 148 HA ASP 21 HA ASP 21 17.548 9.835 4.175 149 HB2 ASP 21 HB2 ASP 21 18.815 8.619 2.516 150 HB3 ASP 21 HB3 ASP 21 17.779 9.198 1.221 151 H VAL 22 H VAL 22 14.735 9.909 2.704 152 HA VAL 22 HA VAL 22 15.008 12.346 1.115 153 HB VAL 22 HB VAL 22 14.364 10.170 0.097 154 HG11 VAL 22 HG21 VAL 22 12.176 9.199 0.553 155 HG12 VAL 22 HG22 VAL 22 11.888 10.436 1.775 156 HG13 VAL 22 HG23 VAL 22 13.176 9.254 2.003 157 HG21 VAL 22 HG13 VAL 22 12.312 12.359 -0.040 158 HG22 VAL 22 HG11 VAL 22 12.229 10.896 -1.035 159 HG23 VAL 22 HG12 VAL 22 13.612 11.998 -1.178 160 H SER 23 H SER 23 12.982 13.670 0.935 161 HA SER 23 HA SER 23 11.731 14.570 3.250 162 HB2 SER 23 HB3 SER 23 10.533 14.465 0.485 163 HB3 SER 23 HB2 SER 23 10.151 15.613 1.757 164 HG SER 23 HG SER 23 12.585 16.039 1.570 165 HA PRO 24 HA PRO 24 9.277 11.993 5.210 166 HB2 PRO 24 HB3 PRO 24 6.658 11.762 4.224 167 HB3 PRO 24 HB2 PRO 24 7.196 12.893 5.469 168 HG2 PRO 24 HG3 PRO 24 6.899 13.315 2.518 169 HG3 PRO 24 HG2 PRO 24 6.430 14.388 3.843 170 HD2 PRO 24 HD2 PRO 24 8.635 14.917 2.525 171 HD3 PRO 24 HD3 PRO 24 8.706 14.948 4.305 172 H ALA 25 H ALA 25 9.377 9.838 5.205 173 HA ALA 25 HA ALA 25 10.944 8.795 3.350 174 HB1 ALA 25 HB1 ALA 25 8.989 7.107 4.841 175 HB2 ALA 25 HB2 ALA 25 10.503 7.733 5.489 176 HB3 ALA 25 HB3 ALA 25 10.519 6.590 4.143 177 H GLU 26 H GLU 26 10.951 7.608 1.576 178 HA GLU 26 HA GLU 26 8.436 7.592 0.151 179 HB2 GLU 26 HB2 GLU 26 11.047 8.768 -0.788 180 HB3 GLU 26 HB3 GLU 26 9.819 8.225 -1.927 181 HG2 GLU 26 HG3 GLU 26 8.210 9.752 -0.771 182 HG3 GLU 26 HG2 GLU 26 9.576 10.382 0.149 183 H LEU 27 H LEU 27 8.015 5.920 -1.054 184 HA LEU 27 HA LEU 27 10.013 3.777 -1.393 185 HB2 LEU 27 HB2 LEU 27 7.952 2.986 -0.477 186 HB3 LEU 27 HB3 LEU 27 7.001 3.954 -1.571 187 HG LEU 27 HG LEU 27 8.654 1.607 -2.514 188 HD11 LEU 27 HD11 LEU 27 7.036 0.923 -0.806 189 HD12 LEU 27 HD12 LEU 27 6.626 0.308 -2.408 190 HD13 LEU 27 HD13 LEU 27 5.754 1.693 -1.746 191 HD21 LEU 27 HD21 LEU 27 7.899 3.225 -4.248 192 HD22 LEU 27 HD22 LEU 27 6.233 2.954 -3.735 193 HD23 LEU 27 HD23 LEU 27 7.169 1.632 -4.433 194 H THR 28 H THR 28 10.533 3.166 -3.509 195 HA THR 28 HA THR 28 9.388 4.868 -5.599 196 HB THR 28 HB THR 28 12.309 4.127 -5.499 197 HG1 THR 28 HG1 THR 28 12.052 6.719 -5.217 198 HG21 THR 28 HG21 THR 28 10.681 6.013 -7.195 199 HG22 THR 28 HG22 THR 28 11.491 4.529 -7.721 200 HG23 THR 28 HG23 THR 28 12.447 5.922 -7.213 201 H TRP 29 H TRP 29 8.237 3.519 -6.787 202 HA TRP 29 HA TRP 29 9.244 0.829 -7.278 203 HB2 TRP 29 HB3 TRP 29 6.813 1.123 -6.904 204 HB3 TRP 29 HB2 TRP 29 6.731 2.156 -8.328 205 HD1 TRP 29 HD1 TRP 29 7.264 -1.533 -7.354 206 HE1 TRP 29 HE1 TRP 29 6.807 -3.007 -9.417 207 HE3 TRP 29 HE3 TRP 29 6.628 2.155 -10.829 208 HZ2 TRP 29 HZ2 TRP 29 6.248 -2.631 -12.159 209 HZ3 TRP 29 HZ3 TRP 29 6.132 1.511 -13.145 210 HH2 TRP 29 HH2 TRP 29 5.948 -0.828 -13.799 211 H ARG 30 H ARG 30 10.799 0.719 -8.617 212 HA ARG 30 HA ARG 30 10.758 2.329 -11.073 213 HB2 ARG 30 HB2 ARG 30 12.620 2.936 -9.656 214 HB3 ARG 30 HB3 ARG 30 13.053 1.245 -9.428 215 HG2 ARG 30 HG2 ARG 30 13.014 2.130 -12.212 216 HG3 ARG 30 HG3 ARG 30 14.226 2.922 -11.203 217 HD2 ARG 30 HD2 ARG 30 15.073 0.767 -10.503 218 HD3 ARG 30 HD3 ARG 30 13.843 -0.065 -11.448 219 HE ARG 30 HE ARG 30 15.534 1.721 -12.971 220 HH11 ARG 30 HH11 ARG 30 15.127 -1.543 -11.775 221 HH12 ARG 30 HH12 ARG 30 16.215 -2.241 -12.929 222 HH21 ARG 30 HH21 ARG 30 16.967 0.814 -14.484 223 HH22 ARG 30 HH22 ARG 30 17.271 -0.896 -14.468 224 H SER 31 H SER 31 10.248 1.140 -12.790 225 HA SER 31 HA SER 31 9.778 -1.586 -12.708 226 HB2 SER 31 HB3 SER 31 9.664 -1.406 -15.211 227 HB3 SER 31 HB2 SER 31 8.698 -0.203 -14.352 228 HG SER 31 HG SER 31 10.184 1.342 -14.817 229 H THR 32 H THR 32 10.791 -3.349 -13.568 230 HA THR 32 HA THR 32 13.514 -3.648 -13.098 231 HB THR 32 HB THR 32 11.848 -5.344 -14.975 232 HG1 THR 32 HG1 THR 32 12.122 -5.433 -12.132 233 HG21 THR 32 HG21 THR 32 14.260 -5.832 -15.000 234 HG22 THR 32 HG22 THR 32 13.340 -7.149 -14.272 235 HG23 THR 32 HG23 THR 32 14.234 -6.026 -13.247 236 H ASP 33 H ASP 33 11.825 -2.695 -16.035 237 HA ASP 33 HA ASP 33 14.151 -2.917 -17.722 238 HB2 ASP 33 HB2 ASP 33 11.909 -3.178 -18.682 239 HB3 ASP 33 HB3 ASP 33 11.499 -1.534 -18.202 240 H GLY 34 H GLY 34 12.665 -0.484 -15.743 241 HA2 GLY 34 HA3 GLY 34 13.919 1.348 -14.894 242 HA3 GLY 34 HA2 GLY 34 14.919 1.295 -16.337 243 H ASP 35 H ASP 35 11.689 0.968 -17.166 244 HA ASP 35 HA ASP 35 11.696 3.605 -18.322 245 HB2 ASP 35 HB2 ASP 35 10.906 1.766 -19.686 246 HB3 ASP 35 HB3 ASP 35 9.662 1.410 -18.498 247 H LYS 36 H LYS 36 9.139 1.885 -16.575 248 HA LYS 36 HA LYS 36 8.042 4.410 -15.716 249 HB2 LYS 36 HB2 LYS 36 7.157 1.564 -15.486 250 HB3 LYS 36 HB3 LYS 36 6.431 2.796 -14.460 251 HG2 LYS 36 HG2 LYS 36 5.515 3.930 -16.243 252 HG3 LYS 36 HG3 LYS 36 6.615 3.190 -17.400 253 HD2 LYS 36 HD2 LYS 36 4.417 2.226 -17.676 254 HD3 LYS 36 HD3 LYS 36 5.494 1.010 -16.984 255 HE2 LYS 36 HE2 LYS 36 3.303 1.003 -15.894 256 HE3 LYS 36 HE3 LYS 36 4.591 1.433 -14.771 257 HZ1 LYS 36 HZ1 LYS 36 2.604 2.828 -14.536 258 HZ2 LYS 36 HZ2 LYS 36 2.806 3.384 -16.121 259 HZ3 LYS 36 HZ3 LYS 36 3.972 3.734 -14.949 260 H VAL 37 H VAL 37 8.035 5.269 -13.812 261 HA VAL 37 HA VAL 37 9.198 3.878 -11.502 262 HB VAL 37 HB VAL 37 10.103 6.618 -12.442 263 HG11 VAL 37 HG21 VAL 37 11.564 6.622 -10.491 264 HG12 VAL 37 HG22 VAL 37 10.893 5.076 -9.972 265 HG13 VAL 37 HG23 VAL 37 9.872 6.515 -10.006 266 HG21 VAL 37 HG13 VAL 37 11.653 4.046 -12.149 267 HG22 VAL 37 HG11 VAL 37 12.318 5.608 -12.622 268 HG23 VAL 37 HG12 VAL 37 11.162 4.788 -13.672 269 H HIS 38 H HIS 38 7.808 4.080 -9.877 270 HA HIS 38 HA HIS 38 6.144 6.505 -9.719 271 HB2 HIS 38 HB3 HIS 38 5.002 4.329 -10.481 272 HB3 HIS 38 HB2 HIS 38 5.243 3.801 -8.816 273 HD1 HIS 38 HD1 HIS 38 2.848 5.468 -10.907 274 HD2 HIS 38 HD2 HIS 38 3.996 5.764 -6.921 275 HE1 HIS 38 HE1 HIS 38 0.974 6.675 -9.749 276 HE2 HIS 38 HE2 HIS 38 1.817 7.063 -7.410 277 H THR 39 H THR 39 6.703 7.614 -7.941 278 HA THR 39 HA THR 39 7.915 6.157 -5.714 279 HB THR 39 HB THR 39 7.729 9.152 -6.118 280 HG1 THR 39 HG1 THR 39 9.083 8.688 -7.702 281 HG21 THR 39 HG21 THR 39 8.169 8.362 -3.807 282 HG22 THR 39 HG22 THR 39 9.521 9.267 -4.497 283 HG23 THR 39 HG23 THR 39 9.592 7.505 -4.406 284 H VAL 40 H VAL 40 6.998 6.069 -3.675 285 HA VAL 40 HA VAL 40 4.354 7.336 -3.295 286 HB VAL 40 HB VAL 40 5.529 4.783 -2.220 287 HG11 VAL 40 HG21 VAL 40 3.054 6.207 -1.283 288 HG12 VAL 40 HG22 VAL 40 4.501 5.855 -0.336 289 HG13 VAL 40 HG23 VAL 40 3.463 4.538 -0.887 290 HG21 VAL 40 HG13 VAL 40 2.844 5.156 -3.470 291 HG22 VAL 40 HG11 VAL 40 3.808 3.685 -3.317 292 HG23 VAL 40 HG12 VAL 40 4.296 4.944 -4.460 293 H VAL 41 H VAL 41 4.184 8.862 -1.703 294 HA VAL 41 HA VAL 41 6.326 9.163 0.236 295 HB VAL 41 HB VAL 41 3.828 10.843 -0.081 296 HG11 VAL 41 HG21 VAL 41 5.111 12.513 1.245 297 HG12 VAL 41 HG22 VAL 41 6.370 11.301 1.486 298 HG13 VAL 41 HG23 VAL 41 4.757 11.035 2.141 299 HG21 VAL 41 HG13 VAL 41 5.160 10.992 -2.088 300 HG22 VAL 41 HG11 VAL 41 6.616 11.283 -1.137 301 HG23 VAL 41 HG12 VAL 41 5.325 12.485 -1.163 302 H LEU 42 H LEU 42 6.221 7.846 1.853 303 HA LEU 42 HA LEU 42 4.091 6.402 2.855 304 HB2 LEU 42 HB2 LEU 42 6.681 7.281 4.068 305 HB3 LEU 42 HB3 LEU 42 5.504 6.375 5.007 306 HG LEU 42 HG LEU 42 7.420 5.083 3.892 307 HD11 LEU 42 HD11 LEU 42 4.549 4.263 3.499 308 HD12 LEU 42 HD12 LEU 42 5.513 4.050 4.964 309 HD13 LEU 42 HD13 LEU 42 5.940 3.183 3.494 310 HD21 LEU 42 HD21 LEU 42 7.305 6.031 1.665 311 HD22 LEU 42 HD22 LEU 42 5.640 5.470 1.490 312 HD23 LEU 42 HD23 LEU 42 6.955 4.302 1.611 313 H SER 43 H SER 43 4.947 9.724 3.552 314 HA SER 43 HA SER 43 3.400 9.856 5.957 315 HB2 SER 43 HB3 SER 43 5.282 11.386 5.580 316 HB3 SER 43 HB2 SER 43 4.413 12.105 4.230 317 HG SER 43 HG SER 43 2.695 12.434 5.960 318 H THR 44 H THR 44 2.829 10.586 2.547 319 HA THR 44 HA THR 44 0.194 11.627 3.038 320 HB THR 44 HB THR 44 -0.119 11.518 0.599 321 HG1 THR 44 HG1 THR 44 1.955 10.897 -0.557 322 HG21 THR 44 HG21 THR 44 2.574 12.624 1.389 323 HG22 THR 44 HG22 THR 44 1.027 13.457 1.543 324 HG23 THR 44 HG23 THR 44 1.663 13.064 -0.054 325 H ILE 45 H ILE 45 1.658 8.584 2.762 326 HA ILE 45 HA ILE 45 -0.624 7.019 2.213 327 HB ILE 45 HB ILE 45 1.969 6.349 3.565 328 HG12 ILE 45 HG13 ILE 45 2.191 7.012 1.219 329 HG13 ILE 45 HG12 ILE 45 2.543 5.310 1.426 330 HG21 ILE 45 HG21 ILE 45 -0.116 4.447 2.537 331 HG22 ILE 45 HG22 ILE 45 0.132 4.848 4.236 332 HG23 ILE 45 HG23 ILE 45 1.405 4.038 3.328 333 HD11 ILE 45 HD11 ILE 45 0.215 4.812 0.630 334 HD12 ILE 45 HD12 ILE 45 1.268 5.556 -0.576 335 HD13 ILE 45 HD13 ILE 45 0.048 6.527 0.254 336 H ASP 46 H ASP 46 -2.333 6.757 3.499 337 HA ASP 46 HA ASP 46 -2.239 7.365 6.303 338 HB2 ASP 46 HB2 ASP 46 -4.260 7.651 4.754 339 HB3 ASP 46 HB3 ASP 46 -4.485 5.919 4.923 340 H LYS 47 H LYS 47 -2.602 4.388 4.397 341 HA LYS 47 HA LYS 47 -1.724 2.852 6.747 342 HB2 LYS 47 HB2 LYS 47 -3.929 1.819 4.954 343 HB3 LYS 47 HB3 LYS 47 -3.398 1.195 6.501 344 HG2 LYS 47 HG2 LYS 47 -4.657 3.899 6.280 345 HG3 LYS 47 HG3 LYS 47 -5.623 2.431 6.418 346 HD2 LYS 47 HD2 LYS 47 -4.354 1.885 8.485 347 HD3 LYS 47 HD3 LYS 47 -3.568 3.457 8.366 348 HE2 LYS 47 HE2 LYS 47 -5.705 4.575 8.563 349 HE3 LYS 47 HE3 LYS 47 -6.546 3.026 8.563 350 HZ1 LYS 47 HZ1 LYS 47 -4.644 3.973 10.633 351 HZ2 LYS 47 HZ2 LYS 47 -5.412 2.466 10.628 352 HZ3 LYS 47 HZ3 LYS 47 -6.326 3.880 10.796 353 H LEU 48 H LEU 48 -0.548 0.976 6.223 354 HA LEU 48 HA LEU 48 -0.293 0.396 3.347 355 HB2 LEU 48 HB2 LEU 48 1.896 0.858 4.014 356 HB3 LEU 48 HB3 LEU 48 1.660 0.101 5.584 357 HG LEU 48 HG LEU 48 1.484 -2.105 4.372 358 HD11 LEU 48 HD11 LEU 48 1.146 -0.847 2.139 359 HD12 LEU 48 HD12 LEU 48 2.116 -2.317 2.171 360 HD13 LEU 48 HD13 LEU 48 2.908 -0.744 2.144 361 HD21 LEU 48 HD21 LEU 48 4.149 -1.252 3.697 362 HD22 LEU 48 HD22 LEU 48 3.602 -2.407 4.909 363 HD23 LEU 48 HD23 LEU 48 3.653 -0.682 5.287 364 H GLN 49 H GLN 49 -0.513 -1.683 2.716 365 HA GLN 49 HA GLN 49 -1.677 -3.565 4.672 366 HB2 GLN 49 HB2 GLN 49 -2.316 -3.406 1.731 367 HB3 GLN 49 HB3 GLN 49 -3.111 -4.405 2.928 368 HG2 GLN 49 HG2 GLN 49 -3.171 -1.421 3.106 369 HG3 GLN 49 HG3 GLN 49 -4.310 -2.311 2.101 370 HE21 GLN 49 HE21 GLN 49 -4.532 -4.572 3.879 371 HE22 GLN 49 HE22 GLN 49 -5.443 -4.037 5.246 372 H ALA 50 H ALA 50 -1.314 -5.798 4.167 373 HA ALA 50 HA ALA 50 0.351 -6.586 1.966 374 HB1 ALA 50 HB1 ALA 50 2.051 -5.744 3.603 375 HB2 ALA 50 HB2 ALA 50 2.201 -7.473 3.260 376 HB3 ALA 50 HB3 ALA 50 1.455 -6.940 4.764 377 H THR 51 H THR 51 0.363 -8.921 1.762 378 HA THR 51 HA THR 51 -2.064 -10.153 2.432 379 HB THR 51 HB THR 51 -0.905 -12.292 1.845 380 HG1 THR 51 HG1 THR 51 1.230 -11.240 2.563 381 HG21 THR 51 HG21 THR 51 -1.968 -11.088 0.086 382 HG22 THR 51 HG22 THR 51 -0.393 -11.626 -0.512 383 HG23 THR 51 HG23 THR 51 -0.624 -9.950 -0.013 384 HA PRO 52 HA PRO 52 -1.466 -11.226 6.711 385 HB2 PRO 52 HB3 PRO 52 -3.770 -12.676 6.854 386 HB3 PRO 52 HB2 PRO 52 -3.739 -10.914 6.907 387 HG2 PRO 52 HG3 PRO 52 -4.287 -12.732 4.605 388 HG3 PRO 52 HG2 PRO 52 -5.142 -11.279 5.103 389 HD2 PRO 52 HD2 PRO 52 -3.379 -11.262 3.097 390 HD3 PRO 52 HD3 PRO 52 -3.549 -9.883 4.187 391 H ALA 53 H ALA 53 -1.381 -13.265 7.943 392 HA ALA 53 HA ALA 53 0.101 -15.278 6.625 393 HB1 ALA 53 HB1 ALA 53 -1.316 -15.417 9.283 394 HB2 ALA 53 HB2 ALA 53 0.313 -14.796 9.020 395 HB3 ALA 53 HB3 ALA 53 -0.040 -16.497 8.722 396 H SER 54 H SER 54 -3.266 -14.756 7.117 397 HA SER 54 HA SER 54 -4.164 -17.400 6.543 398 HB2 SER 54 HB3 SER 54 -6.330 -16.127 6.099 399 HB3 SER 54 HB2 SER 54 -5.645 -15.969 7.710 400 HG SER 54 HG SER 54 -6.352 -13.978 6.605 401 H SER 55 H SER 55 -3.315 -14.606 4.704 402 HA SER 55 HA SER 55 -4.326 -15.456 2.183 403 HB2 SER 55 HB3 SER 55 -3.634 -13.073 2.698 404 HB3 SER 55 HB2 SER 55 -1.966 -13.627 2.695 405 HG SER 55 HG SER 55 -3.634 -13.085 0.604 406 H GLU 56 H GLU 56 -3.343 -16.634 0.566 407 HA GLU 56 HA GLU 56 -1.097 -18.276 1.409 408 HB2 GLU 56 HB2 GLU 56 -2.448 -18.532 -1.226 409 HB3 GLU 56 HB3 GLU 56 -1.691 -19.776 -0.254 410 HG2 GLU 56 HG3 GLU 56 -3.845 -20.318 0.105 411 HG3 GLU 56 HG2 GLU 56 -3.658 -19.145 1.401 412 H LYS 57 H LYS 57 -1.749 -15.481 -0.284 413 HA LYS 57 HA LYS 57 0.469 -15.751 -2.100 414 HB2 LYS 57 HB2 LYS 57 -1.685 -13.708 -1.925 415 HB3 LYS 57 HB3 LYS 57 -0.424 -13.707 -3.134 416 HG2 LYS 57 HG2 LYS 57 -2.296 -14.647 -4.144 417 HG3 LYS 57 HG3 LYS 57 -1.252 -15.993 -3.757 418 HD2 LYS 57 HD2 LYS 57 -3.563 -16.511 -3.268 419 HD3 LYS 57 HD3 LYS 57 -2.552 -16.458 -1.814 420 HE2 LYS 57 HE2 LYS 57 -3.397 -14.392 -1.162 421 HE3 LYS 57 HE3 LYS 57 -4.094 -14.062 -2.745 422 HZ1 LYS 57 HZ1 LYS 57 -5.782 -14.654 -1.095 423 HZ2 LYS 57 HZ2 LYS 57 -5.059 -16.170 -0.874 424 HZ3 LYS 57 HZ3 LYS 57 -5.741 -15.762 -2.372 425 H MET 58 H MET 58 1.389 -13.304 -2.500 426 HA MET 58 HA MET 58 2.202 -12.193 0.100 427 HB2 MET 58 HB3 MET 58 4.400 -12.265 -1.770 428 HB3 MET 58 HB2 MET 58 4.349 -12.850 -0.121 429 HG2 MET 58 HG3 MET 58 3.163 -14.460 -2.343 430 HG3 MET 58 HG2 MET 58 4.888 -14.507 -2.029 431 HE1 MET 58 HE1 MET 58 3.519 -17.912 -0.612 432 HE2 MET 58 HE2 MET 58 4.613 -17.157 -1.769 433 HE3 MET 58 HE3 MET 58 2.869 -17.031 -1.994 434 H MET 59 H MET 59 1.571 -10.091 -0.111 435 HA MET 59 HA MET 59 2.468 -8.540 -2.381 436 HB2 MET 59 HB3 MET 59 -0.422 -9.198 -1.960 437 HB3 MET 59 HB2 MET 59 0.039 -7.684 -2.714 438 HG2 MET 59 HG3 MET 59 -0.211 -8.900 -4.586 439 HG3 MET 59 HG2 MET 59 1.445 -9.370 -4.224 440 HE1 MET 59 HE1 MET 59 -2.221 -10.147 -3.616 441 HE2 MET 59 HE2 MET 59 -1.684 -10.874 -2.100 442 HE3 MET 59 HE3 MET 59 -2.289 -11.895 -3.401 443 H LEU 60 H LEU 60 1.811 -6.254 -2.208 444 HA LEU 60 HA LEU 60 1.233 -5.377 0.556 445 HB2 LEU 60 HB2 LEU 60 3.532 -4.801 -1.136 446 HB3 LEU 60 HB3 LEU 60 2.734 -3.353 -0.552 447 HG LEU 60 HG LEU 60 2.873 -4.582 1.758 448 HD11 LEU 60 HD11 LEU 60 3.782 -6.667 0.952 449 HD12 LEU 60 HD12 LEU 60 4.959 -5.833 1.977 450 HD13 LEU 60 HD13 LEU 60 5.145 -5.813 0.222 451 HD21 LEU 60 HD21 LEU 60 5.033 -3.485 2.129 452 HD22 LEU 60 HD22 LEU 60 3.875 -2.457 1.284 453 HD23 LEU 60 HD23 LEU 60 5.179 -3.239 0.390 454 H ARG 61 H ARG 61 0.311 -3.184 0.690 455 HA ARG 61 HA ARG 61 -0.485 -1.857 -1.758 456 HB2 ARG 61 HB2 ARG 61 -2.299 -3.553 -1.196 457 HB3 ARG 61 HB3 ARG 61 -2.648 -2.563 0.201 458 HG2 ARG 61 HG2 ARG 61 -2.849 -0.651 -1.553 459 HG3 ARG 61 HG3 ARG 61 -3.097 -1.991 -2.673 460 HD2 ARG 61 HD2 ARG 61 -4.769 -1.144 -0.340 461 HD3 ARG 61 HD3 ARG 61 -5.258 -1.457 -2.002 462 HE ARG 61 HE ARG 61 -4.486 -3.886 -1.226 463 HH11 ARG 61 HH11 ARG 61 -6.547 -1.525 0.332 464 HH12 ARG 61 HH12 ARG 61 -7.453 -2.708 1.214 465 HH21 ARG 61 HH21 ARG 61 -5.687 -5.451 -0.049 466 HH22 ARG 61 HH22 ARG 61 -6.971 -4.934 0.998 467 H LEU 62 H LEU 62 0.128 0.200 -1.370 468 HA LEU 62 HA LEU 62 0.017 1.226 1.377 469 HB2 LEU 62 HB2 LEU 62 1.585 1.894 -1.063 470 HB3 LEU 62 HB3 LEU 62 1.274 3.190 0.070 471 HG LEU 62 HG LEU 62 2.436 0.574 0.979 472 HD11 LEU 62 HD11 LEU 62 4.655 1.447 0.768 473 HD12 LEU 62 HD12 LEU 62 4.038 2.988 0.163 474 HD13 LEU 62 HD13 LEU 62 3.874 1.532 -0.816 475 HD21 LEU 62 HD21 LEU 62 2.684 3.349 2.088 476 HD22 LEU 62 HD22 LEU 62 3.232 1.850 2.834 477 HD23 LEU 62 HD23 LEU 62 1.506 2.156 2.631 478 H ILE 63 H ILE 63 -1.795 2.209 1.934 479 HA ILE 63 HA ILE 63 -3.573 3.452 -0.027 480 HB ILE 63 HB ILE 63 -4.155 3.665 2.873 481 HG12 ILE 63 HG13 ILE 63 -3.186 1.367 2.642 482 HG13 ILE 63 HG12 ILE 63 -4.862 1.402 3.177 483 HG21 ILE 63 HG21 ILE 63 -6.421 3.140 2.134 484 HG22 ILE 63 HG22 ILE 63 -5.819 2.854 0.501 485 HG23 ILE 63 HG23 ILE 63 -5.722 4.467 1.207 486 HD11 ILE 63 HD11 ILE 63 -5.567 0.883 0.892 487 HD12 ILE 63 HD12 ILE 63 -4.534 -0.354 1.603 488 HD13 ILE 63 HD13 ILE 63 -3.871 0.772 0.420 489 H GLY 64 H GLY 64 -3.611 5.663 -0.348 490 HA2 GLY 64 HA3 GLY 64 -2.107 7.316 1.534 491 HA3 GLY 64 HA2 GLY 64 -2.641 7.817 -0.042 492 H LYS 65 H LYS 65 -2.926 9.226 2.450 493 HA LYS 65 HA LYS 65 -5.447 8.945 3.624 494 HB2 LYS 65 HB2 LYS 65 -3.631 11.331 3.325 495 HB3 LYS 65 HB3 LYS 65 -5.173 11.435 4.154 496 HG2 LYS 65 HG2 LYS 65 -4.068 10.896 6.000 497 HG3 LYS 65 HG3 LYS 65 -3.948 9.276 5.351 498 HD2 LYS 65 HD2 LYS 65 -1.780 9.607 4.590 499 HD3 LYS 65 HD3 LYS 65 -1.933 11.363 4.623 500 HE2 LYS 65 HE2 LYS 65 -0.523 10.700 6.438 501 HE3 LYS 65 HE3 LYS 65 -2.063 11.232 7.097 502 HZ1 LYS 65 HZ1 LYS 65 -1.425 9.269 8.230 503 HZ2 LYS 65 HZ2 LYS 65 -1.109 8.448 6.789 504 HZ3 LYS 65 HZ3 LYS 65 -2.707 8.842 7.206 505 H VAL 66 H VAL 66 -7.442 9.586 3.071 506 HA VAL 66 HA VAL 66 -7.796 10.741 0.421 507 HB VAL 66 HB VAL 66 -9.148 8.797 1.074 508 HG11 VAL 66 HG21 VAL 66 -9.430 9.249 3.437 509 HG12 VAL 66 HG22 VAL 66 -11.001 9.050 2.660 510 HG13 VAL 66 HG23 VAL 66 -10.414 10.663 3.065 511 HG21 VAL 66 HG13 VAL 66 -10.752 11.289 0.562 512 HG22 VAL 66 HG11 VAL 66 -11.321 9.638 0.312 513 HG23 VAL 66 HG12 VAL 66 -9.985 10.267 -0.653 514 H ASP 67 H ASP 67 -9.209 12.520 0.073 515 HA ASP 67 HA ASP 67 -8.756 14.587 2.030 516 HB2 ASP 67 HB2 ASP 67 -9.708 16.027 0.164 517 HB3 ASP 67 HB3 ASP 67 -8.174 15.248 -0.148 518 H GLU 68 H GLU 68 -10.183 13.953 3.632 519 HA GLU 68 HA GLU 68 -12.916 13.399 3.244 520 HB2 GLU 68 HB2 GLU 68 -11.322 14.191 5.647 521 HB3 GLU 68 HB3 GLU 68 -13.042 13.870 5.740 522 HG2 GLU 68 HG3 GLU 68 -11.037 11.893 4.697 523 HG3 GLU 68 HG2 GLU 68 -11.546 11.979 6.381 524 H SER 69 H SER 69 -11.217 16.366 4.166 525 HA SER 69 HA SER 69 -13.649 17.800 4.632 526 HB2 SER 69 HB3 SER 69 -12.014 19.784 4.723 527 HB3 SER 69 HB2 SER 69 -11.845 18.517 5.937 528 HG SER 69 HG SER 69 -9.858 19.223 4.873 529 H LYS 70 H LYS 70 -11.398 17.500 1.949 530 HA LYS 70 HA LYS 70 -12.670 19.596 0.426 531 HB2 LYS 70 HB2 LYS 70 -10.572 17.598 -0.324 532 HB3 LYS 70 HB3 LYS 70 -11.163 18.830 -1.408 533 HG2 LYS 70 HG2 LYS 70 -9.094 19.568 -0.545 534 HG3 LYS 70 HG3 LYS 70 -10.347 20.534 0.227 535 HD2 LYS 70 HD2 LYS 70 -10.173 19.209 2.240 536 HD3 LYS 70 HD3 LYS 70 -9.029 18.118 1.458 537 HE2 LYS 70 HE2 LYS 70 -7.899 19.713 2.933 538 HE3 LYS 70 HE3 LYS 70 -7.415 19.919 1.252 539 HZ1 LYS 70 HZ1 LYS 70 -7.836 22.030 2.384 540 HZ2 LYS 70 HZ2 LYS 70 -9.443 21.579 2.643 541 HZ3 LYS 70 HZ3 LYS 70 -8.869 21.806 1.067 542 H LYS 71 H LYS 71 -14.684 18.127 1.010 543 HA LYS 71 HA LYS 71 -15.189 15.711 -0.159 544 HB2 LYS 71 HB2 LYS 71 -17.211 17.902 0.215 545 HB3 LYS 71 HB3 LYS 71 -17.537 16.184 0.077 546 HG2 LYS 71 HG2 LYS 71 -16.534 15.745 2.183 547 HG3 LYS 71 HG3 LYS 71 -15.900 17.390 2.289 548 HD2 LYS 71 HD2 LYS 71 -18.825 16.699 2.179 549 HD3 LYS 71 HD3 LYS 71 -17.938 16.997 3.676 550 HE2 LYS 71 HE2 LYS 71 -18.428 18.915 1.407 551 HE3 LYS 71 HE3 LYS 71 -19.110 18.994 3.026 552 HZ1 LYS 71 HZ1 LYS 71 -16.836 19.297 3.882 553 HZ2 LYS 71 HZ2 LYS 71 -17.321 20.544 2.855 554 HZ3 LYS 71 HZ3 LYS 71 -16.257 19.360 2.294 555 H ARG 72 H ARG 72 -15.426 15.023 -2.127 556 HA ARG 72 HA ARG 72 -15.441 16.824 -4.358 557 HB2 ARG 72 HB2 ARG 72 -15.025 14.993 -5.669 558 HB3 ARG 72 HB3 ARG 72 -14.479 14.355 -4.128 559 HG2 ARG 72 HG2 ARG 72 -16.391 13.041 -3.882 560 HG3 ARG 72 HG3 ARG 72 -17.259 13.909 -5.145 561 HD2 ARG 72 HD2 ARG 72 -16.252 11.588 -5.691 562 HD3 ARG 72 HD3 ARG 72 -16.063 12.900 -6.851 563 HE ARG 72 HE ARG 72 -13.843 12.915 -5.147 564 HH11 ARG 72 HH11 ARG 72 -15.261 10.896 -7.627 565 HH12 ARG 72 HH12 ARG 72 -13.738 10.245 -8.144 566 HH21 ARG 72 HH21 ARG 72 -11.838 12.073 -5.831 567 HH22 ARG 72 HH22 ARG 72 -11.790 10.919 -7.126 568 H LYS 73 H LYS 73 -17.188 16.281 -6.135 569 HA LYS 73 HA LYS 73 -19.802 15.999 -4.954 570 HB2 LYS 73 HB2 LYS 73 -20.222 18.296 -6.365 571 HB3 LYS 73 HB3 LYS 73 -20.094 18.176 -4.617 572 HG2 LYS 73 HG2 LYS 73 -18.640 19.878 -5.181 573 HG3 LYS 73 HG3 LYS 73 -17.587 18.490 -4.971 574 HD2 LYS 73 HD2 LYS 73 -18.068 18.219 -7.552 575 HD3 LYS 73 HD3 LYS 73 -18.329 19.961 -7.433 576 HE2 LYS 73 HE2 LYS 73 -15.878 18.495 -6.494 577 HE3 LYS 73 HE3 LYS 73 -15.998 19.406 -7.999 578 HZ1 LYS 73 HZ1 LYS 73 -14.929 20.696 -6.260 579 HZ2 LYS 73 HZ2 LYS 73 -16.283 20.529 -5.261 580 HZ3 LYS 73 HZ3 LYS 73 -16.399 21.409 -6.702 581 H ASP 74 H ASP 74 -21.269 15.206 -6.297 582 HA ASP 74 HA ASP 74 -20.359 14.297 -8.856 583 HB2 ASP 74 HB2 ASP 74 -21.678 12.909 -7.275 584 HB3 ASP 74 HB3 ASP 74 -23.043 13.985 -7.486 585 H ASN 75 H ASN 75 -22.664 14.446 -10.456 586 HA ASN 75 HA ASN 75 -21.952 16.736 -11.825 587 HB2 ASN 75 HB2 ASN 75 -23.015 14.756 -12.807 588 HB3 ASN 75 HB3 ASN 75 -24.546 15.223 -12.077 589 HD21 ASN 75 HD21 ASN 75 -22.166 15.996 -14.497 590 HD22 ASN 75 HD22 ASN 75 -23.170 17.046 -15.433 591 H GLU 76 H GLU 76 -24.368 16.497 -9.325 592 HA GLU 76 HA GLU 76 -25.464 19.122 -10.077 593 HB2 GLU 76 HB2 GLU 76 -26.614 16.932 -8.344 594 HB3 GLU 76 HB3 GLU 76 -27.372 18.501 -8.597 595 HG2 GLU 76 HG3 GLU 76 -26.649 16.702 -10.867 596 HG3 GLU 76 HG2 GLU 76 -28.190 16.554 -10.013 597 H GLY 77 H GLY 77 -23.089 18.075 -8.371 598 HA2 GLY 77 HA3 GLY 77 -21.878 19.051 -6.632 599 HA3 GLY 77 HA2 GLY 77 -23.193 20.204 -6.413 600 H ASN 78 H ASN 78 -23.692 16.805 -6.489 601 HA ASN 78 HA ASN 78 -25.276 16.572 -4.250 602 HB2 ASN 78 HB2 ASN 78 -23.503 14.535 -5.556 603 HB3 ASN 78 HB3 ASN 78 -24.738 14.142 -4.378 604 HD21 ASN 78 HD21 ASN 78 -24.131 15.416 -7.564 605 HD22 ASN 78 HD22 ASN 78 -25.683 15.071 -8.211 606 H GLU 79 H GLU 79 -21.854 16.065 -4.583 607 HA GLU 79 HA GLU 79 -20.136 16.314 -3.103 608 HB2 GLU 79 HB2 GLU 79 -22.259 16.648 -1.035 609 HB3 GLU 79 HB3 GLU 79 -20.547 16.653 -0.661 610 HG2 GLU 79 HG3 GLU 79 -20.299 18.575 -2.217 611 HG3 GLU 79 HG2 GLU 79 -22.053 18.586 -2.392 612 H VAL 80 H VAL 80 -19.096 14.529 -3.209 613 HA VAL 80 HA VAL 80 -20.167 12.115 -1.879 614 HB VAL 80 HB VAL 80 -18.124 11.960 -4.053 615 HG11 VAL 80 HG21 VAL 80 -20.348 10.117 -3.193 616 HG12 VAL 80 HG22 VAL 80 -18.638 9.957 -2.796 617 HG13 VAL 80 HG23 VAL 80 -19.174 9.783 -4.467 618 HG21 VAL 80 HG13 VAL 80 -19.877 11.752 -5.765 619 HG22 VAL 80 HG11 VAL 80 -19.865 13.358 -5.038 620 HG23 VAL 80 HG12 VAL 80 -21.095 12.185 -4.567 621 H VAL 81 H VAL 81 -18.691 10.902 -0.694 622 HA VAL 81 HA VAL 81 -16.040 12.102 -0.389 623 HB VAL 81 HB VAL 81 -17.203 12.090 1.731 624 HG11 VAL 81 HG21 VAL 81 -17.881 10.000 2.839 625 HG12 VAL 81 HG22 VAL 81 -17.520 9.118 1.355 626 HG13 VAL 81 HG23 VAL 81 -18.807 10.322 1.373 627 HG21 VAL 81 HG13 VAL 81 -15.069 9.965 1.644 628 HG22 VAL 81 HG11 VAL 81 -15.599 10.833 3.085 629 HG23 VAL 81 HG12 VAL 81 -14.809 11.704 1.771 630 HA PRO 82 HA PRO 82 -15.095 8.517 -2.912 631 HB2 PRO 82 HB3 PRO 82 -12.641 9.388 -3.588 632 HB3 PRO 82 HB2 PRO 82 -14.112 9.948 -4.379 633 HG2 PRO 82 HG3 PRO 82 -12.510 11.236 -2.227 634 HG3 PRO 82 HG2 PRO 82 -13.236 11.975 -3.654 635 HD2 PRO 82 HD2 PRO 82 -14.321 12.146 -1.221 636 HD3 PRO 82 HD3 PRO 82 -15.296 12.065 -2.688 637 H LYS 83 H LYS 83 -13.512 6.853 -2.891 638 HA LYS 83 HA LYS 83 -12.467 6.282 -0.278 639 HB2 LYS 83 HB2 LYS 83 -13.193 4.339 -1.219 640 HB3 LYS 83 HB3 LYS 83 -12.751 4.819 -2.852 641 HG2 LYS 83 HG2 LYS 83 -10.399 4.361 -2.327 642 HG3 LYS 83 HG3 LYS 83 -10.863 3.878 -0.697 643 HD2 LYS 83 HD2 LYS 83 -11.906 2.561 -3.195 644 HD3 LYS 83 HD3 LYS 83 -10.503 1.986 -2.294 645 HE2 LYS 83 HE2 LYS 83 -11.862 1.631 -0.328 646 HE3 LYS 83 HE3 LYS 83 -13.267 2.319 -1.139 647 HZ1 LYS 83 HZ1 LYS 83 -13.287 -0.109 -1.117 648 HZ2 LYS 83 HZ2 LYS 83 -11.847 -0.137 -2.003 649 HZ3 LYS 83 HZ3 LYS 83 -13.252 0.504 -2.691 650 HA PRO 84 HA PRO 84 -8.429 8.014 -0.583 651 HB2 PRO 84 HB3 PRO 84 -7.518 5.506 0.696 652 HB3 PRO 84 HB2 PRO 84 -7.316 7.178 1.221 653 HG2 PRO 84 HG3 PRO 84 -9.054 5.473 2.393 654 HG3 PRO 84 HG2 PRO 84 -9.321 7.223 2.310 655 HD2 PRO 84 HD2 PRO 84 -10.639 5.037 0.810 656 HD3 PRO 84 HD3 PRO 84 -11.240 6.651 1.222 657 H GLN 85 H GLN 85 -6.760 7.917 -1.988 658 HA GLN 85 HA GLN 85 -6.762 5.842 -3.951 659 HB2 GLN 85 HB2 GLN 85 -4.816 7.161 -4.918 660 HB3 GLN 85 HB3 GLN 85 -6.374 7.960 -4.868 661 HG2 GLN 85 HG2 GLN 85 -4.974 9.623 -4.162 662 HG3 GLN 85 HG3 GLN 85 -5.516 8.940 -2.638 663 HE21 GLN 85 HE21 GLN 85 -3.172 7.375 -4.704 664 HE22 GLN 85 HE22 GLN 85 -1.821 7.607 -3.652 665 H ARG 86 H ARG 86 -5.466 4.164 -4.161 666 HA ARG 86 HA ARG 86 -3.426 3.840 -2.067 667 HB2 ARG 86 HB2 ARG 86 -4.479 1.302 -2.934 668 HB3 ARG 86 HB3 ARG 86 -4.423 1.983 -1.314 669 HG2 ARG 86 HG2 ARG 86 -6.553 2.916 -1.505 670 HG3 ARG 86 HG3 ARG 86 -6.552 2.790 -3.263 671 HD2 ARG 86 HD2 ARG 86 -6.579 0.451 -1.366 672 HD3 ARG 86 HD3 ARG 86 -8.007 1.116 -2.161 673 HE ARG 86 HE ARG 86 -6.111 0.510 -4.131 674 HH11 ARG 86 HH11 ARG 86 -8.163 -1.166 -1.833 675 HH12 ARG 86 HH12 ARG 86 -8.272 -2.614 -2.796 676 HH21 ARG 86 HH21 ARG 86 -6.278 -1.378 -5.404 677 HH22 ARG 86 HH22 ARG 86 -7.216 -2.722 -4.827 678 H HIS 87 H HIS 87 -1.771 2.282 -2.549 679 HA HIS 87 HA HIS 87 -1.249 1.939 -5.431 680 HB2 HIS 87 HB3 HIS 87 0.774 2.509 -3.254 681 HB3 HIS 87 HB2 HIS 87 1.126 2.332 -4.961 682 HD1 HIS 87 HD1 HIS 87 -0.371 4.232 -6.460 683 HD2 HIS 87 HD2 HIS 87 0.628 5.084 -2.518 684 HE1 HIS 87 HE1 HIS 87 -0.522 6.729 -6.250 685 HE2 HIS 87 HE2 HIS 87 0.332 7.227 -3.934 686 H MET 88 H MET 88 -1.303 -0.206 -5.873 687 HA MET 88 HA MET 88 -0.647 -2.048 -3.676 688 HB2 MET 88 HB3 MET 88 -2.925 -2.268 -4.585 689 HB3 MET 88 HB2 MET 88 -2.251 -2.598 -6.176 690 HG2 MET 88 HG3 MET 88 -1.189 -4.603 -5.343 691 HG3 MET 88 HG2 MET 88 -1.775 -4.262 -3.723 692 HE1 MET 88 HE1 MET 88 -4.187 -4.278 -2.994 693 HE2 MET 88 HE2 MET 88 -5.532 -4.989 -3.877 694 HE3 MET 88 HE3 MET 88 -4.951 -3.378 -4.305 695 H PHE 89 H PHE 89 1.131 -3.223 -3.775 696 HA PHE 89 HA PHE 89 2.409 -3.650 -6.392 697 HB2 PHE 89 HB3 PHE 89 4.022 -3.866 -3.913 698 HB3 PHE 89 HB2 PHE 89 4.460 -3.204 -5.484 699 HD1 PHE 89 HD2 PHE 89 3.600 -0.929 -6.109 700 HD2 PHE 89 HD1 PHE 89 3.380 -2.467 -2.153 701 HE1 PHE 89 HE2 PHE 89 3.316 1.352 -5.248 702 HE2 PHE 89 HE1 PHE 89 3.098 -0.189 -1.285 703 HZ PHE 89 HZ PHE 89 3.016 1.709 -2.800 704 H SER 90 H SER 90 2.523 -5.726 -6.990 705 HA SER 90 HA SER 90 1.859 -7.749 -5.013 706 HB2 SER 90 HB3 SER 90 0.633 -7.759 -7.152 707 HB3 SER 90 HB2 SER 90 2.143 -8.009 -8.014 708 HG SER 90 HG SER 90 0.936 -9.956 -7.617 709 H PHE 91 H PHE 91 3.279 -9.100 -4.183 710 HA PHE 91 HA PHE 91 5.985 -9.155 -5.343 711 HB2 PHE 91 HB3 PHE 91 5.002 -9.488 -2.523 712 HB3 PHE 91 HB2 PHE 91 6.533 -10.209 -3.013 713 HD1 PHE 91 HD2 PHE 91 8.079 -8.552 -4.407 714 HD2 PHE 91 HD1 PHE 91 5.102 -7.375 -1.612 715 HE1 PHE 91 HE2 PHE 91 9.218 -6.394 -4.113 716 HE2 PHE 91 HE1 PHE 91 6.238 -5.213 -1.318 717 HZ PHE 91 HZ PHE 91 8.294 -4.719 -2.569 718 H ASN 92 H ASN 92 7.171 -11.261 -4.767 719 HA ASN 92 HA ASN 92 5.428 -13.512 -5.531 720 HB2 ASN 92 HB2 ASN 92 8.330 -13.156 -6.310 721 HB3 ASN 92 HB3 ASN 92 7.217 -14.386 -6.897 722 HD21 ASN 92 HD21 ASN 92 5.579 -13.774 -8.370 723 HD22 ASN 92 HD22 ASN 92 5.705 -12.321 -9.297 724 H ASN 93 H ASN 93 7.327 -12.277 -3.120 725 HA ASN 93 HA ASN 93 7.825 -14.955 -2.005 726 HB2 ASN 93 HB2 ASN 93 9.917 -13.925 -2.962 727 HB3 ASN 93 HB3 ASN 93 9.746 -12.627 -1.791 728 HD21 ASN 93 HD21 ASN 93 11.899 -14.521 -2.144 729 HD22 ASN 93 HD22 ASN 93 12.067 -15.360 -0.642 730 H ARG 94 H ARG 94 7.082 -15.196 -0.021 731 HA ARG 94 HA ARG 94 5.554 -13.278 1.321 732 HB2 ARG 94 HB2 ARG 94 5.223 -15.649 1.683 733 HB3 ARG 94 HB3 ARG 94 6.837 -15.809 2.335 734 HG2 ARG 94 HG2 ARG 94 5.319 -15.847 4.152 735 HG3 ARG 94 HG3 ARG 94 6.169 -14.300 4.196 736 HD2 ARG 94 HD2 ARG 94 4.272 -13.270 3.025 737 HD3 ARG 94 HD3 ARG 94 3.421 -14.808 3.097 738 HE ARG 94 HE ARG 94 4.304 -13.724 5.643 739 HH11 ARG 94 HH11 ARG 94 1.696 -14.110 3.351 740 HH12 ARG 94 HH12 ARG 94 0.451 -13.707 4.490 741 HH21 ARG 94 HH21 ARG 94 2.683 -13.192 7.162 742 HH22 ARG 94 HH22 ARG 94 1.020 -13.175 6.672 743 H THR 95 H THR 95 8.954 -14.059 1.528 744 HA THR 95 HA THR 95 9.406 -12.779 4.035 745 HB THR 95 HB THR 95 11.368 -13.452 1.834 746 HG1 THR 95 HG1 THR 95 10.045 -15.153 3.080 747 HG21 THR 95 HG21 THR 95 13.067 -13.264 3.571 748 HG22 THR 95 HG22 THR 95 11.830 -12.805 4.742 749 HG23 THR 95 HG23 THR 95 12.190 -11.745 3.382 750 H VAL 96 H VAL 96 10.377 -11.870 0.744 751 HA VAL 96 HA VAL 96 11.269 -9.331 1.049 752 HB VAL 96 HB VAL 96 9.417 -10.295 -1.148 753 HG11 VAL 96 HG21 VAL 96 9.590 -7.870 -1.148 754 HG12 VAL 96 HG22 VAL 96 10.494 -8.535 -2.511 755 HG13 VAL 96 HG23 VAL 96 11.351 -7.967 -1.078 756 HG21 VAL 96 HG13 VAL 96 12.436 -10.309 -0.945 757 HG22 VAL 96 HG11 VAL 96 11.505 -10.765 -2.369 758 HG23 VAL 96 HG12 VAL 96 11.379 -11.718 -0.890 759 H MET 97 H MET 97 7.859 -10.175 0.418 760 HA MET 97 HA MET 97 6.994 -7.508 0.592 761 HB2 MET 97 HB3 MET 97 4.761 -8.388 0.512 762 HB3 MET 97 HB2 MET 97 5.795 -9.300 -0.582 763 HG2 MET 97 HG3 MET 97 5.103 -11.149 0.347 764 HG3 MET 97 HG2 MET 97 5.837 -10.662 1.874 765 HE1 MET 97 HE1 MET 97 4.514 -10.140 3.958 766 HE2 MET 97 HE2 MET 97 2.908 -9.409 3.957 767 HE3 MET 97 HE3 MET 97 4.269 -8.552 3.233 768 H ASP 98 H ASP 98 7.546 -9.951 3.035 769 HA ASP 98 HA ASP 98 5.995 -8.596 5.040 770 HB2 ASP 98 HB2 ASP 98 6.595 -11.037 5.147 771 HB3 ASP 98 HB3 ASP 98 8.262 -10.552 5.476 772 H ASN 99 H ASN 99 9.173 -8.469 3.769 773 HA ASN 99 HA ASN 99 10.346 -6.905 5.881 774 HB2 ASN 99 HB2 ASN 99 11.228 -7.551 3.054 775 HB3 ASN 99 HB3 ASN 99 12.199 -6.635 4.190 776 HD21 ASN 99 HD21 ASN 99 12.474 -9.301 2.823 777 HD22 ASN 99 HD22 ASN 99 12.859 -10.388 4.109 778 H ILE 100 H ILE 100 9.294 -6.332 2.561 779 HA ILE 100 HA ILE 100 9.676 -3.573 2.445 780 HB ILE 100 HB ILE 100 7.577 -5.304 1.117 781 HG12 ILE 100 HG13 ILE 100 9.937 -5.853 0.609 782 HG13 ILE 100 HG12 ILE 100 9.069 -5.253 -0.799 783 HG21 ILE 100 HG21 ILE 100 7.154 -3.531 -0.414 784 HG22 ILE 100 HG22 ILE 100 8.460 -2.561 0.253 785 HG23 ILE 100 HG23 ILE 100 7.007 -2.849 1.207 786 HD11 ILE 100 HD11 ILE 100 10.051 -3.015 -0.365 787 HD12 ILE 100 HD12 ILE 100 11.228 -4.266 -0.775 788 HD13 ILE 100 HD13 ILE 100 11.034 -3.753 0.901 789 H LYS 101 H LYS 101 6.773 -5.428 3.374 790 HA LYS 101 HA LYS 101 5.120 -3.314 4.029 791 HB2 LYS 101 HB2 LYS 101 4.219 -5.502 3.821 792 HB3 LYS 101 HB3 LYS 101 5.289 -6.148 5.060 793 HG2 LYS 101 HG2 LYS 101 3.223 -4.086 5.694 794 HG3 LYS 101 HG3 LYS 101 2.819 -5.782 5.604 795 HD2 LYS 101 HD2 LYS 101 4.719 -4.453 7.502 796 HD3 LYS 101 HD3 LYS 101 3.189 -5.219 7.895 797 HE2 LYS 101 HE2 LYS 101 5.692 -6.602 6.915 798 HE3 LYS 101 HE3 LYS 101 5.060 -6.615 8.557 799 HZ1 LYS 101 HZ1 LYS 101 3.597 -7.722 6.227 800 HZ2 LYS 101 HZ2 LYS 101 3.175 -7.859 7.858 801 HZ3 LYS 101 HZ3 LYS 101 4.559 -8.642 7.274 802 H MET 102 H MET 102 7.428 -5.091 6.101 803 HA MET 102 HA MET 102 6.696 -3.655 8.447 804 HB2 MET 102 HB3 MET 102 8.460 -4.829 9.556 805 HB3 MET 102 HB2 MET 102 7.727 -5.949 8.422 806 HG2 MET 102 HG3 MET 102 9.936 -6.383 8.123 807 HG3 MET 102 HG2 MET 102 9.633 -5.218 6.844 808 HE1 MET 102 HE1 MET 102 10.118 -4.618 10.731 809 HE2 MET 102 HE2 MET 102 11.858 -4.330 10.775 810 HE3 MET 102 HE3 MET 102 11.235 -5.907 10.294 811 H THR 103 H THR 103 8.904 -3.084 5.864 812 HA THR 103 HA THR 103 10.539 -1.138 7.112 813 HB THR 103 HB THR 103 9.779 -1.549 4.214 814 HG1 THR 103 HG1 THR 103 11.044 -3.233 4.757 815 HG21 THR 103 HG21 THR 103 11.883 0.241 5.397 816 HG22 THR 103 HG22 THR 103 10.447 0.733 4.491 817 HG23 THR 103 HG23 THR 103 11.745 -0.170 3.683 818 H LEU 104 H LEU 104 7.656 -0.960 5.085 819 HA LEU 104 HA LEU 104 7.525 1.864 5.113 820 HB2 LEU 104 HB2 LEU 104 5.343 -0.130 4.500 821 HB3 LEU 104 HB3 LEU 104 5.317 1.557 4.086 822 HG LEU 104 HG LEU 104 7.487 -0.186 3.004 823 HD11 LEU 104 HD11 LEU 104 6.028 -0.478 0.993 824 HD12 LEU 104 HD12 LEU 104 4.675 0.020 2.009 825 HD13 LEU 104 HD13 LEU 104 5.584 -1.438 2.402 826 HD21 LEU 104 HD21 LEU 104 7.434 1.394 1.200 827 HD22 LEU 104 HD22 LEU 104 7.596 2.242 2.737 828 HD23 LEU 104 HD23 LEU 104 6.030 2.181 1.921 829 H GLN 105 H GLN 105 5.398 -0.562 6.624 830 HA GLN 105 HA GLN 105 3.793 1.185 8.015 831 HB2 GLN 105 HB2 GLN 105 4.596 -1.609 8.772 832 HB3 GLN 105 HB3 GLN 105 3.369 -0.692 9.634 833 HG2 GLN 105 HG2 GLN 105 2.293 -0.409 7.318 834 HG3 GLN 105 HG3 GLN 105 3.328 -1.755 6.855 835 HE21 GLN 105 HE21 GLN 105 1.552 -3.036 6.439 836 HE22 GLN 105 HE22 GLN 105 0.592 -3.713 7.698 837 H GLN 106 H GLN 106 7.071 0.309 8.804 838 HA GLN 106 HA GLN 106 7.006 1.115 11.514 839 HB2 GLN 106 HB2 GLN 106 9.069 0.665 9.457 840 HB3 GLN 106 HB3 GLN 106 9.517 1.664 10.815 841 HG2 GLN 106 HG2 GLN 106 8.820 -0.171 12.328 842 HG3 GLN 106 HG3 GLN 106 8.523 -1.166 10.901 843 HE21 GLN 106 HE21 GLN 106 10.247 -1.896 9.685 844 HE22 GLN 106 HE22 GLN 106 11.873 -1.880 10.283 845 H ILE 107 H ILE 107 7.879 2.683 8.519 846 HA ILE 107 HA ILE 107 8.290 5.323 9.366 847 HB ILE 107 HB ILE 107 7.069 4.289 6.794 848 HG12 ILE 107 HG13 ILE 107 9.971 4.906 7.290 849 HG13 ILE 107 HG12 ILE 107 9.304 3.298 7.491 850 HG21 ILE 107 HG21 ILE 107 7.701 6.319 5.782 851 HG22 ILE 107 HG22 ILE 107 8.587 6.842 7.213 852 HG23 ILE 107 HG23 ILE 107 6.826 6.722 7.254 853 HD11 ILE 107 HD11 ILE 107 9.394 4.914 4.959 854 HD12 ILE 107 HD12 ILE 107 8.616 3.343 5.129 855 HD13 ILE 107 HD13 ILE 107 10.358 3.489 5.348 856 H ILE 108 H ILE 108 5.372 3.610 8.335 857 HA ILE 108 HA ILE 108 3.692 5.883 8.334 858 HB ILE 108 HB ILE 108 2.814 3.030 8.764 859 HG12 ILE 108 HG13 ILE 108 4.049 4.410 6.447 860 HG13 ILE 108 HG12 ILE 108 4.184 2.742 6.954 861 HG21 ILE 108 HG21 ILE 108 0.835 3.750 7.480 862 HG22 ILE 108 HG22 ILE 108 1.484 5.392 7.438 863 HG23 ILE 108 HG23 ILE 108 1.035 4.660 8.979 864 HD11 ILE 108 HD11 ILE 108 3.095 2.737 4.889 865 HD12 ILE 108 HD12 ILE 108 1.994 4.026 5.376 866 HD13 ILE 108 HD13 ILE 108 1.843 2.417 6.095 867 H SER 109 H SER 109 4.004 3.250 10.725 868 HA SER 109 HA SER 109 2.549 4.375 12.804 869 HB2 SER 109 HB3 SER 109 5.121 2.808 13.087 870 HB3 SER 109 HB2 SER 109 3.836 2.957 14.285 871 HG SER 109 HG SER 109 3.970 1.396 11.992 872 H ARG 110 H ARG 110 5.772 5.093 11.678 873 HA ARG 110 HA ARG 110 6.631 6.707 13.828 874 HB2 ARG 110 HB2 ARG 110 7.482 6.220 11.034 875 HB3 ARG 110 HB3 ARG 110 8.139 7.619 11.825 876 HG2 ARG 110 HG2 ARG 110 9.030 6.179 13.576 877 HG3 ARG 110 HG3 ARG 110 8.312 4.789 12.755 878 HD2 ARG 110 HD2 ARG 110 9.643 5.274 10.771 879 HD3 ARG 110 HD3 ARG 110 10.373 6.638 11.598 880 HE ARG 110 HE ARG 110 10.774 4.344 13.146 881 HH11 ARG 110 HH11 ARG 110 11.805 5.709 10.090 882 HH12 ARG 110 HH12 ARG 110 13.307 4.849 10.072 883 HH21 ARG 110 HH21 ARG 110 12.753 3.211 13.123 884 HH22 ARG 110 HH22 ARG 110 13.849 3.432 11.798 885 H TYR 111 H TYR 111 4.675 7.274 11.002 886 HA TYR 111 HA TYR 111 4.758 10.138 11.462 887 HB2 TYR 111 HB3 TYR 111 3.872 8.429 9.197 888 HB3 TYR 111 HB2 TYR 111 3.151 10.025 9.368 889 HD1 TYR 111 HD2 TYR 111 4.602 12.044 9.310 890 HD2 TYR 111 HD1 TYR 111 6.114 8.170 8.480 891 HE1 TYR 111 HE2 TYR 111 6.605 13.051 8.307 892 HE2 TYR 111 HE1 TYR 111 8.130 9.158 7.475 893 HH TYR 111 HH TYR 111 8.896 12.480 7.818 894 H LYS 112 H LYS 112 2.862 7.464 12.262 895 HA LYS 112 HA LYS 112 0.455 8.988 12.761 896 HB2 LYS 112 HB2 LYS 112 1.256 6.155 13.441 897 HB3 LYS 112 HB3 LYS 112 -0.288 6.865 13.905 898 HG2 LYS 112 HG2 LYS 112 -1.133 6.622 11.858 899 HG3 LYS 112 HG3 LYS 112 0.353 7.177 11.080 900 HD2 LYS 112 HD2 LYS 112 -0.075 4.862 10.500 901 HD3 LYS 112 HD3 LYS 112 1.369 4.997 11.492 902 HE2 LYS 112 HE2 LYS 112 -0.014 3.113 12.165 903 HE3 LYS 112 HE3 LYS 112 0.138 4.302 13.451 904 HZ1 LYS 112 HZ1 LYS 112 -2.133 3.475 13.221 905 HZ2 LYS 112 HZ2 LYS 112 -2.192 4.045 11.629 906 HZ3 LYS 112 HZ3 LYS 112 -2.048 5.136 12.912 907 H ASP 113 H ASP 113 3.334 8.052 14.432 908 HA ASP 113 HA ASP 113 2.490 8.845 17.030 909 HB2 ASP 113 HB2 ASP 113 4.499 7.473 16.701 910 HB3 ASP 113 HB3 ASP 113 5.267 8.789 15.821 911 H ALA 114 H ALA 114 3.376 10.477 14.178 912 HA ALA 114 HA ALA 114 3.467 13.061 15.585 913 HB1 ALA 114 HB1 ALA 114 4.464 12.373 12.819 914 HB2 ALA 114 HB2 ALA 114 5.466 12.573 14.257 915 HB3 ALA 114 HB3 ALA 114 4.582 13.950 13.600 916 H ASP 115 H ASP 115 1.092 11.471 14.881 917 HA ASP 115 HA ASP 115 -0.171 13.191 12.861 918 HB2 ASP 115 HB2 ASP 115 -0.245 10.842 12.273 919 HB3 ASP 115 HB3 ASP 115 -0.914 10.430 13.844 920 H1 GLY 242 H1 GLY 242 4.290 -27.153 -34.173 921 H2 GLY 242 H2 GLY 242 4.713 -28.704 -33.653 922 H3 GLY 242 H3 GLY 242 5.632 -27.933 -34.840 923 HA2 GLY 242 HA2 GLY 242 6.772 -27.874 -32.719 924 HA3 GLY 242 HA3 GLY 242 6.345 -26.260 -33.270 925 H GLY 243 H GLY 243 6.658 -25.816 -30.913 926 HA2 GLY 243 HA3 GLY 243 4.065 -26.163 -29.556 927 HA3 GLY 243 HA2 GLY 243 5.562 -26.478 -28.691 928 H GLY 244 H GLY 244 5.434 -23.946 -31.042 929 HA2 GLY 244 HA3 GLY 244 6.157 -22.015 -29.019 930 HA3 GLY 244 HA2 GLY 244 6.064 -21.734 -30.752 931 H GLY 245 H GLY 245 3.883 -22.526 -28.064 932 HA2 GLY 245 HA3 GLY 245 2.191 -20.261 -28.837 933 HA3 GLY 245 HA2 GLY 245 1.458 -21.860 -28.774 934 H TYR 246 H TYR 246 3.669 -19.959 -26.750 935 HA TYR 246 HA TYR 246 2.438 -21.043 -24.355 936 HB2 TYR 246 HB3 TYR 246 4.670 -19.013 -24.616 937 HB3 TYR 246 HB2 TYR 246 4.216 -19.888 -23.157 938 HD1 TYR 246 HD1 TYR 246 4.680 -22.322 -22.983 939 HD2 TYR 246 HD2 TYR 246 6.050 -20.017 -26.285 940 HE1 TYR 246 HE1 TYR 246 6.261 -24.112 -23.571 941 HE2 TYR 246 HE2 TYR 246 7.631 -21.799 -26.881 942 HH TYR 246 HH TYR 246 8.789 -23.673 -25.804 943 H ASP 247 H ASP 247 1.691 -19.593 -22.621 944 HA ASP 247 HA ASP 247 0.427 -17.175 -23.731 945 HB2 ASP 247 HB2 ASP 247 -0.709 -19.129 -21.713 946 HB3 ASP 247 HB3 ASP 247 -1.455 -17.596 -22.144 947 H VAL 248 H VAL 248 1.164 -15.394 -22.784 948 HA VAL 248 HA VAL 248 2.594 -15.512 -20.301 949 HB VAL 248 HB VAL 248 2.625 -12.981 -20.495 950 HG11 VAL 248 HG21 VAL 248 4.472 -14.384 -21.232 951 HG12 VAL 248 HG22 VAL 248 4.261 -13.011 -22.317 952 HG13 VAL 248 HG23 VAL 248 3.694 -14.609 -22.799 953 HG21 VAL 248 HG13 VAL 248 1.373 -13.589 -23.174 954 HG22 VAL 248 HG11 VAL 248 2.055 -12.038 -22.694 955 HG23 VAL 248 HG12 VAL 248 0.635 -12.671 -21.863 956 H GLU 249 H GLU 249 0.909 -16.470 -19.057 957 HA GLU 249 HA GLU 249 -1.547 -15.269 -18.488 958 HB2 GLU 249 HB2 GLU 249 -0.957 -17.584 -17.873 959 HB3 GLU 249 HB3 GLU 249 0.152 -16.966 -16.656 960 HG2 GLU 249 HG3 GLU 249 -1.699 -15.950 -15.460 961 HG3 GLU 249 HG2 GLU 249 -2.824 -16.517 -16.693 962 H MET 250 H MET 250 -2.039 -13.460 -17.506 963 HA MET 250 HA MET 250 -0.254 -12.393 -15.435 964 HB2 MET 250 HB3 MET 250 -0.585 -10.111 -16.374 965 HB3 MET 250 HB2 MET 250 0.325 -11.175 -17.436 966 HG2 MET 250 HG3 MET 250 -1.720 -11.579 -18.745 967 HG3 MET 250 HG2 MET 250 -2.583 -10.448 -17.704 968 HE1 MET 250 HE1 MET 250 0.338 -10.890 -20.272 969 HE2 MET 250 HE2 MET 250 1.154 -10.082 -18.933 970 HE3 MET 250 HE3 MET 250 0.916 -9.233 -20.460 971 H GLU 251 H GLU 251 -2.770 -13.844 -15.394 972 HA GLU 251 HA GLU 251 -4.872 -11.997 -14.816 973 HB2 GLU 251 HB2 GLU 251 -5.249 -14.327 -15.638 974 HB3 GLU 251 HB3 GLU 251 -4.691 -14.924 -14.081 975 HG2 GLU 251 HG3 GLU 251 -7.140 -14.866 -14.267 976 HG3 GLU 251 HG2 GLU 251 -6.530 -13.853 -12.958 977 H SER 252 H SER 252 -5.654 -11.350 -12.860 978 HA SER 252 HA SER 252 -3.685 -11.284 -10.743 979 HB2 SER 252 HB3 SER 252 -6.377 -9.937 -11.040 980 HB3 SER 252 HB2 SER 252 -5.249 -9.641 -9.719 981 HG SER 252 HG SER 252 -3.783 -8.789 -11.154 982 H GLU 253 H GLU 253 -4.408 -13.828 -10.886 983 HA GLU 253 HA GLU 253 -6.648 -14.546 -9.267 984 HB2 GLU 253 HB2 GLU 253 -4.188 -16.109 -10.067 985 HB3 GLU 253 HB3 GLU 253 -5.561 -16.797 -9.214 986 HG2 GLU 253 HG3 GLU 253 -7.007 -16.261 -11.105 987 HG3 GLU 253 HG2 GLU 253 -5.627 -15.568 -11.959 988 H GLU 254 H GLU 254 -3.198 -14.145 -8.711 989 HA GLU 254 HA GLU 254 -3.359 -15.058 -5.992 990 HB2 GLU 254 HB2 GLU 254 -0.999 -14.554 -5.843 991 HB3 GLU 254 HB3 GLU 254 -1.310 -15.377 -7.360 992 HG2 GLU 254 HG3 GLU 254 -1.020 -12.397 -7.097 993 HG3 GLU 254 HG2 GLU 254 0.307 -13.490 -7.478 994 H GLU 255 H GLU 255 -3.293 -11.991 -7.688 995 HA GLU 255 HA GLU 255 -2.823 -10.296 -5.513 996 HB2 GLU 255 HB2 GLU 255 -4.373 -9.806 -8.043 997 HB3 GLU 255 HB3 GLU 255 -3.947 -8.545 -6.899 998 HG2 GLU 255 HG3 GLU 255 -1.576 -9.014 -7.274 999 HG3 GLU 255 HG2 GLU 255 -2.016 -10.266 -8.435 1000 H SER 256 H SER 256 -5.638 -12.043 -6.414 1001 HA SER 256 HA SER 256 -7.520 -12.521 -5.250 1002 HB2 SER 256 HB3 SER 256 -6.179 -12.359 -3.194 1003 HB3 SER 256 HB2 SER 256 -6.449 -10.618 -3.152 1004 HG SER 256 HG SER 256 -8.267 -12.720 -2.697 1005 H ASP 257 H ASP 257 -9.563 -11.838 -5.400 1006 HA ASP 257 HA ASP 257 -10.035 -9.120 -6.330 1007 HB2 ASP 257 HB2 ASP 257 -11.907 -11.489 -6.085 1008 HB3 ASP 257 HB3 ASP 257 -12.339 -9.930 -6.780 1009 H ASP 258 H ASP 258 -10.046 -10.878 -3.493 1010 HA ASP 258 HA ASP 258 -12.004 -9.273 -2.068 1011 HB2 ASP 258 HB2 ASP 258 -11.764 -11.609 -1.450 1012 HB3 ASP 258 HB3 ASP 258 -10.037 -11.412 -1.197 1013 H ASP 259 H ASP 259 -9.040 -8.722 -3.237 1014 HA ASP 259 HA ASP 259 -7.471 -7.120 -2.958 1015 HB2 ASP 259 HB2 ASP 259 -9.238 -6.304 -0.669 1016 HB3 ASP 259 HB3 ASP 259 -7.641 -5.589 -0.868 1017 H GLY 260 H GLY 260 -8.346 -8.701 0.112 1018 HA2 GLY 260 HA3 GLY 260 -7.288 -10.499 1.037 1019 HA3 GLY 260 HA2 GLY 260 -6.265 -10.530 -0.379 1020 H PHE 261 H PHE 261 -6.206 -7.664 1.652 1021 HA PHE 261 HA PHE 261 -3.637 -8.612 2.720 1022 HB2 PHE 261 HB3 PHE 261 -4.202 -5.751 1.956 1023 HB3 PHE 261 HB2 PHE 261 -2.667 -6.431 2.471 1024 HD1 PHE 261 HD2 PHE 261 -3.085 -8.969 0.623 1025 HD2 PHE 261 HD1 PHE 261 -3.231 -4.775 0.031 1026 HE1 PHE 261 HE2 PHE 261 -2.519 -9.283 -1.741 1027 HE2 PHE 261 HE1 PHE 261 -2.658 -5.085 -2.332 1028 HZ PHE 261 HZ PHE 261 -2.306 -7.337 -3.230 1029 H VAL 262 H VAL 262 -2.957 -7.608 4.693 1030 HA VAL 262 HA VAL 262 -4.979 -6.076 6.163 1031 HB VAL 262 HB VAL 262 -5.055 -8.546 6.809 1032 HG11 VAL 262 HG21 VAL 262 -3.297 -9.350 8.321 1033 HG12 VAL 262 HG22 VAL 262 -2.365 -7.890 7.993 1034 HG13 VAL 262 HG23 VAL 262 -2.690 -9.038 6.694 1035 HG21 VAL 262 HG13 VAL 262 -5.199 -8.091 9.209 1036 HG22 VAL 262 HG11 VAL 262 -5.961 -6.819 8.255 1037 HG23 VAL 262 HG12 VAL 262 -4.368 -6.554 8.964 1038 H GLU 263 H GLU 263 -3.935 -4.857 8.007 1039 HA GLU 263 HA GLU 263 -1.134 -4.348 7.323 1040 HB2 GLU 263 HB2 GLU 263 -1.328 -2.205 8.419 1041 HB3 GLU 263 HB3 GLU 263 -2.598 -2.386 7.229 1042 HG2 GLU 263 HG3 GLU 263 -2.958 -2.720 10.194 1043 HG3 GLU 263 HG2 GLU 263 -3.292 -1.251 9.279 1044 H VAL 264 H VAL 264 0.422 -5.064 8.573 1045 HA VAL 264 HA VAL 264 -0.344 -6.235 11.150 1046 HB VAL 264 HB VAL 264 2.034 -6.982 9.434 1047 HG11 VAL 264 HG21 VAL 264 2.322 -7.512 11.784 1048 HG12 VAL 264 HG22 VAL 264 2.074 -8.995 10.860 1049 HG13 VAL 264 HG23 VAL 264 0.758 -8.323 11.822 1050 HG21 VAL 264 HG13 VAL 264 -0.654 -8.346 9.659 1051 HG22 VAL 264 HG11 VAL 264 0.749 -8.976 8.795 1052 HG23 VAL 264 HG12 VAL 264 -0.035 -7.495 8.244 1053 H ASP 265 H ASP 265 0.192 -4.901 12.740 1054 HA ASP 265 HA ASP 265 3.014 -4.202 12.999 1055 HB2 ASP 265 HB2 ASP 265 1.986 -2.130 12.205 1056 HB3 ASP 265 HB3 ASP 265 0.762 -2.232 13.452 Start of MODEL 19 1 H2 PRO 1 H2 PRO 1 18.104 -4.534 1.247 2 H3 PRO 1 H3 PRO 1 18.067 -3.210 2.206 3 HA PRO 1 HA PRO 1 17.814 -5.968 2.860 4 HB2 PRO 1 HB3 PRO 1 18.388 -4.311 5.190 5 HB3 PRO 1 HB2 PRO 1 19.006 -5.912 4.767 6 HG2 PRO 1 HG3 PRO 1 20.198 -3.297 4.286 7 HG3 PRO 1 HG2 PRO 1 20.936 -4.900 4.153 8 HD2 PRO 1 HD2 PRO 1 20.450 -3.348 1.988 9 HD3 PRO 1 HD3 PRO 1 20.362 -5.117 1.920 10 H SER 2 H SER 2 15.673 -5.917 2.545 11 HA SER 2 HA SER 2 13.518 -5.738 3.181 12 HB2 SER 2 HB3 SER 2 14.510 -3.952 5.354 13 HB3 SER 2 HB2 SER 2 12.891 -4.614 5.253 14 HG SER 2 HG SER 2 14.890 -6.487 5.044 15 H HIS 3 H HIS 3 15.295 -2.744 2.856 16 HA HIS 3 HA HIS 3 12.876 -1.205 2.421 17 HB2 HIS 3 HB3 HIS 3 15.816 -0.490 2.399 18 HB3 HIS 3 HB2 HIS 3 14.570 0.664 1.955 19 HD1 HIS 3 HD1 HIS 3 15.380 2.145 3.953 20 HD2 HIS 3 HD2 HIS 3 13.757 -1.521 5.031 21 HE1 HIS 3 HE1 HIS 3 14.964 2.293 6.427 22 HE2 HIS 3 HE2 HIS 3 14.141 0.006 7.085 23 H SER 4 H SER 4 13.767 -3.365 0.535 24 HA SER 4 HA SER 4 13.081 -1.996 -1.864 25 HB2 SER 4 HB3 SER 4 15.107 -2.447 -3.169 26 HB3 SER 4 HB2 SER 4 15.453 -1.378 -1.812 27 HG SER 4 HG SER 4 16.919 -3.267 -2.244 28 H GLY 5 H GLY 5 12.824 -3.490 -3.678 29 HA2 GLY 5 HA3 GLY 5 13.279 -6.205 -3.718 30 HA3 GLY 5 HA2 GLY 5 11.781 -6.008 -2.810 31 H ALA 6 H ALA 6 12.319 -7.179 -5.537 32 HA ALA 6 HA ALA 6 11.256 -5.279 -7.398 33 HB1 ALA 6 HB1 ALA 6 11.337 -7.058 -9.022 34 HB2 ALA 6 HB2 ALA 6 11.600 -8.252 -7.748 35 HB3 ALA 6 HB3 ALA 6 12.831 -7.032 -8.084 36 H ALA 7 H ALA 7 9.135 -4.826 -7.699 37 HA ALA 7 HA ALA 7 7.130 -6.831 -6.897 38 HB1 ALA 7 HB1 ALA 7 6.991 -3.882 -6.275 39 HB2 ALA 7 HB2 ALA 7 7.276 -5.177 -5.110 40 HB3 ALA 7 HB3 ALA 7 5.723 -5.065 -5.947 41 H ILE 8 H ILE 8 5.067 -6.564 -7.845 42 HA ILE 8 HA ILE 8 5.099 -5.362 -10.527 43 HB ILE 8 HB ILE 8 3.235 -7.349 -9.197 44 HG12 ILE 8 HG13 ILE 8 3.914 -8.796 -11.148 45 HG13 ILE 8 HG12 ILE 8 5.133 -7.597 -11.534 46 HG21 ILE 8 HG21 ILE 8 1.913 -5.840 -10.546 47 HG22 ILE 8 HG22 ILE 8 1.983 -7.438 -11.289 48 HG23 ILE 8 HG23 ILE 8 2.969 -6.125 -11.931 49 HD11 ILE 8 HD11 ILE 8 6.091 -9.461 -10.327 50 HD12 ILE 8 HD12 ILE 8 4.965 -9.198 -8.994 51 HD13 ILE 8 HD13 ILE 8 6.192 -7.985 -9.364 52 H PHE 9 H PHE 9 4.257 -3.419 -10.746 53 HA PHE 9 HA PHE 9 2.078 -2.656 -8.942 54 HB2 PHE 9 HB3 PHE 9 4.040 -1.439 -8.263 55 HB3 PHE 9 HB2 PHE 9 4.380 -0.965 -9.920 56 HD1 PHE 9 HD1 PHE 9 1.856 -0.568 -7.219 57 HD2 PHE 9 HD2 PHE 9 3.633 1.061 -10.721 58 HE1 PHE 9 HE1 PHE 9 0.636 1.535 -6.863 59 HE2 PHE 9 HE2 PHE 9 2.407 3.161 -10.374 60 HZ PHE 9 HZ PHE 9 0.906 3.401 -8.441 61 H GLU 10 H GLU 10 0.288 -2.578 -10.062 62 HA GLU 10 HA GLU 10 -1.245 -2.217 -11.676 63 HB2 GLU 10 HB2 GLU 10 0.849 -0.401 -12.866 64 HB3 GLU 10 HB3 GLU 10 -0.805 -0.537 -13.439 65 HG2 GLU 10 HG3 GLU 10 -1.570 0.161 -11.182 66 HG3 GLU 10 HG2 GLU 10 0.115 0.475 -10.768 67 H LYS 11 H LYS 11 0.094 -4.458 -11.760 68 HA LYS 11 HA LYS 11 0.170 -6.318 -13.022 69 HB2 LYS 11 HB2 LYS 11 -0.972 -4.575 -15.207 70 HB3 LYS 11 HB3 LYS 11 -0.893 -6.332 -15.239 71 HG2 LYS 11 HG2 LYS 11 -3.036 -6.046 -14.512 72 HG3 LYS 11 HG3 LYS 11 -2.212 -6.084 -12.968 73 HD2 LYS 11 HD2 LYS 11 -2.076 -3.554 -13.215 74 HD3 LYS 11 HD3 LYS 11 -3.300 -3.760 -14.444 75 HE2 LYS 11 HE2 LYS 11 -3.513 -4.658 -11.609 76 HE3 LYS 11 HE3 LYS 11 -4.299 -3.241 -12.288 77 HZ1 LYS 11 HZ1 LYS 11 -5.553 -4.674 -13.752 78 HZ2 LYS 11 HZ2 LYS 11 -5.801 -5.134 -12.147 79 HZ3 LYS 11 HZ3 LYS 11 -4.779 -6.045 -13.138 80 H VAL 12 H VAL 12 2.178 -3.805 -13.510 81 HA VAL 12 HA VAL 12 3.796 -5.383 -15.390 82 HB VAL 12 HB VAL 12 3.760 -3.271 -16.375 83 HG11 VAL 12 HG21 VAL 12 3.903 -1.150 -15.211 84 HG12 VAL 12 HG22 VAL 12 4.080 -1.994 -13.667 85 HG13 VAL 12 HG23 VAL 12 2.570 -2.115 -14.568 86 HG21 VAL 12 HG13 VAL 12 5.978 -2.273 -15.975 87 HG22 VAL 12 HG11 VAL 12 6.044 -4.030 -16.089 88 HG23 VAL 12 HG12 VAL 12 6.129 -3.248 -14.509 89 H SER 13 H SER 13 5.647 -6.268 -14.729 90 HA SER 13 HA SER 13 6.291 -6.225 -11.937 91 HB2 SER 13 HB3 SER 13 6.466 -8.294 -13.293 92 HB3 SER 13 HB2 SER 13 7.754 -7.546 -14.235 93 HG SER 13 HG SER 13 9.023 -8.320 -12.766 94 H GLY 14 H GLY 14 7.846 -5.158 -10.931 95 HA2 GLY 14 HA3 GLY 14 9.999 -3.898 -12.378 96 HA3 GLY 14 HA2 GLY 14 8.859 -2.798 -11.630 97 H ILE 15 H ILE 15 10.474 -1.993 -10.239 98 HA ILE 15 HA ILE 15 11.199 -3.828 -8.091 99 HB ILE 15 HB ILE 15 12.929 -1.550 -8.934 100 HG12 ILE 15 HG13 ILE 15 12.700 -3.197 -10.788 101 HG13 ILE 15 HG12 ILE 15 14.323 -3.046 -10.164 102 HG21 ILE 15 HG21 ILE 15 14.666 -2.784 -7.707 103 HG22 ILE 15 HG22 ILE 15 13.462 -3.991 -7.264 104 HG23 ILE 15 HG23 ILE 15 13.302 -2.334 -6.682 105 HD11 ILE 15 HD11 ILE 15 14.097 -5.123 -8.982 106 HD12 ILE 15 HD12 ILE 15 13.718 -5.337 -10.694 107 HD13 ILE 15 HD13 ILE 15 12.418 -5.253 -9.505 108 H ILE 16 H ILE 16 11.459 -2.889 -6.034 109 HA ILE 16 HA ILE 16 10.152 -0.276 -5.694 110 HB ILE 16 HB ILE 16 9.236 -2.838 -4.798 111 HG12 ILE 16 HG13 ILE 16 8.207 -0.057 -4.231 112 HG13 ILE 16 HG12 ILE 16 7.901 -0.960 -5.708 113 HG21 ILE 16 HG21 ILE 16 9.876 -0.905 -2.564 114 HG22 ILE 16 HG22 ILE 16 10.553 -2.521 -2.781 115 HG23 ILE 16 HG23 ILE 16 8.838 -2.324 -2.416 116 HD11 ILE 16 HD11 ILE 16 6.016 -1.070 -4.182 117 HD12 ILE 16 HD12 ILE 16 7.057 -1.769 -2.941 118 HD13 ILE 16 HD13 ILE 16 6.732 -2.665 -4.425 119 H ALA 17 H ALA 17 11.223 1.096 -4.398 120 HA ALA 17 HA ALA 17 13.108 -0.034 -2.462 121 HB1 ALA 17 HB1 ALA 17 14.709 1.809 -3.025 122 HB2 ALA 17 HB2 ALA 17 13.735 2.109 -4.473 123 HB3 ALA 17 HB3 ALA 17 14.524 0.540 -4.235 124 H ILE 18 H ILE 18 12.325 0.547 -0.575 125 HA ILE 18 HA ILE 18 11.129 3.113 -0.048 126 HB ILE 18 HB ILE 18 12.050 1.072 1.968 127 HG12 ILE 18 HG13 ILE 18 9.372 0.762 1.957 128 HG13 ILE 18 HG12 ILE 18 9.627 1.142 0.258 129 HG21 ILE 18 HG21 ILE 18 11.660 3.437 2.713 130 HG22 ILE 18 HG22 ILE 18 10.668 2.219 3.520 131 HG23 ILE 18 HG23 ILE 18 9.964 3.227 2.256 132 HD11 ILE 18 HD11 ILE 18 9.773 -1.126 0.263 133 HD12 ILE 18 HD12 ILE 18 10.580 -1.187 1.829 134 HD13 ILE 18 HD13 ILE 18 11.467 -0.660 0.394 135 H ASN 19 H ASN 19 12.466 4.832 0.147 136 HA ASN 19 HA ASN 19 15.107 4.387 1.373 137 HB2 ASN 19 HB2 ASN 19 15.632 4.976 -0.820 138 HB3 ASN 19 HB3 ASN 19 14.248 6.051 -0.958 139 HD21 ASN 19 HD21 ASN 19 14.401 8.137 -0.265 140 HD22 ASN 19 HD22 ASN 19 15.904 8.884 0.154 141 H GLU 20 H GLU 20 15.267 5.308 3.372 142 HA GLU 20 HA GLU 20 13.851 7.877 3.575 143 HB2 GLU 20 HB2 GLU 20 15.259 6.372 5.796 144 HB3 GLU 20 HB3 GLU 20 14.133 7.704 5.961 145 HG2 GLU 20 HG3 GLU 20 12.298 6.358 5.349 146 HG3 GLU 20 HG2 GLU 20 13.353 5.054 4.826 147 H ASP 21 H ASP 21 15.643 8.559 2.040 148 HA ASP 21 HA ASP 21 17.604 9.928 3.752 149 HB2 ASP 21 HB2 ASP 21 18.810 8.742 2.018 150 HB3 ASP 21 HB3 ASP 21 17.703 9.321 0.783 151 H VAL 22 H VAL 22 14.729 9.929 2.380 152 HA VAL 22 HA VAL 22 14.906 12.367 0.777 153 HB VAL 22 HB VAL 22 14.312 10.165 -0.205 154 HG11 VAL 22 HG21 VAL 22 11.775 10.331 1.389 155 HG12 VAL 22 HG22 VAL 22 13.159 9.330 1.822 156 HG13 VAL 22 HG23 VAL 22 12.291 9.027 0.319 157 HG21 VAL 22 HG13 VAL 22 12.188 10.805 -1.352 158 HG22 VAL 22 HG11 VAL 22 13.487 12.007 -1.444 159 HG23 VAL 22 HG12 VAL 22 12.147 12.241 -0.323 160 H SER 23 H SER 23 12.672 13.513 0.585 161 HA SER 23 HA SER 23 11.570 14.515 2.923 162 HB2 SER 23 HB3 SER 23 9.446 14.552 1.198 163 HB3 SER 23 HB2 SER 23 10.765 15.718 1.146 164 HG SER 23 HG SER 23 10.490 13.330 -0.385 165 HA PRO 24 HA PRO 24 9.626 11.848 5.353 166 HB2 PRO 24 HB3 PRO 24 6.887 11.608 4.952 167 HB3 PRO 24 HB2 PRO 24 7.659 12.867 5.923 168 HG2 PRO 24 HG3 PRO 24 6.853 12.948 3.027 169 HG3 PRO 24 HG2 PRO 24 6.504 14.133 4.292 170 HD2 PRO 24 HD2 PRO 24 8.477 14.645 2.677 171 HD3 PRO 24 HD3 PRO 24 8.812 14.785 4.417 172 H ALA 25 H ALA 25 9.710 9.636 5.384 173 HA ALA 25 HA ALA 25 11.028 8.568 3.441 174 HB1 ALA 25 HB1 ALA 25 10.310 7.452 5.623 175 HB2 ALA 25 HB2 ALA 25 10.782 6.458 4.243 176 HB3 ALA 25 HB3 ALA 25 9.074 6.679 4.624 177 H GLU 26 H GLU 26 10.966 7.579 1.568 178 HA GLU 26 HA GLU 26 8.398 7.515 0.247 179 HB2 GLU 26 HB2 GLU 26 10.865 8.915 -0.793 180 HB3 GLU 26 HB3 GLU 26 9.550 8.408 -1.850 181 HG2 GLU 26 HG3 GLU 26 8.001 9.733 -0.390 182 HG3 GLU 26 HG2 GLU 26 9.428 10.371 0.420 183 H LEU 27 H LEU 27 8.018 5.915 -1.047 184 HA LEU 27 HA LEU 27 10.043 3.803 -1.425 185 HB2 LEU 27 HB2 LEU 27 7.978 3.029 -0.480 186 HB3 LEU 27 HB3 LEU 27 7.025 3.965 -1.601 187 HG LEU 27 HG LEU 27 8.689 1.591 -2.468 188 HD11 LEU 27 HD11 LEU 27 6.663 0.299 -2.344 189 HD12 LEU 27 HD12 LEU 27 5.774 1.709 -1.759 190 HD13 LEU 27 HD13 LEU 27 7.034 0.975 -0.757 191 HD21 LEU 27 HD21 LEU 27 7.964 3.150 -4.264 192 HD22 LEU 27 HD22 LEU 27 6.292 2.920 -3.759 193 HD23 LEU 27 HD23 LEU 27 7.215 1.563 -4.402 194 H THR 28 H THR 28 10.534 3.175 -3.547 195 HA THR 28 HA THR 28 9.328 4.828 -5.638 196 HB THR 28 HB THR 28 12.279 4.211 -5.535 197 HG1 THR 28 HG1 THR 28 10.751 6.369 -4.555 198 HG21 THR 28 HG21 THR 28 11.465 4.549 -7.770 199 HG22 THR 28 HG22 THR 28 12.335 5.999 -7.271 200 HG23 THR 28 HG23 THR 28 10.566 5.985 -7.269 201 H TRP 29 H TRP 29 8.236 3.456 -6.815 202 HA TRP 29 HA TRP 29 9.309 0.788 -7.300 203 HB2 TRP 29 HB3 TRP 29 6.902 0.963 -6.821 204 HB3 TRP 29 HB2 TRP 29 6.703 2.028 -8.209 205 HD1 TRP 29 HD1 TRP 29 7.397 -1.658 -7.358 206 HE1 TRP 29 HE1 TRP 29 6.898 -3.092 -9.440 207 HE3 TRP 29 HE3 TRP 29 6.516 2.093 -10.709 208 HZ2 TRP 29 HZ2 TRP 29 6.227 -2.671 -12.142 209 HZ3 TRP 29 HZ3 TRP 29 5.950 1.492 -13.022 210 HH2 TRP 29 HH2 TRP 29 5.812 -0.841 -13.720 211 H ARG 30 H ARG 30 10.771 0.659 -8.759 212 HA ARG 30 HA ARG 30 10.534 2.253 -11.218 213 HB2 ARG 30 HB2 ARG 30 12.455 2.955 -9.964 214 HB3 ARG 30 HB3 ARG 30 12.953 1.285 -9.685 215 HG2 ARG 30 HG2 ARG 30 12.733 1.985 -12.502 216 HG3 ARG 30 HG3 ARG 30 13.930 2.944 -11.627 217 HD2 ARG 30 HD2 ARG 30 15.013 0.950 -10.844 218 HD3 ARG 30 HD3 ARG 30 13.771 -0.071 -11.561 219 HE ARG 30 HE ARG 30 15.105 1.611 -13.471 220 HH11 ARG 30 HH11 ARG 30 15.326 -1.402 -11.713 221 HH12 ARG 30 HH12 ARG 30 16.361 -2.159 -12.879 222 HH21 ARG 30 HH21 ARG 30 16.467 0.612 -15.021 223 HH22 ARG 30 HH22 ARG 30 16.996 -1.021 -14.769 224 H SER 31 H SER 31 10.109 1.056 -12.973 225 HA SER 31 HA SER 31 9.667 -1.677 -12.859 226 HB2 SER 31 HB3 SER 31 9.621 -1.554 -15.368 227 HB3 SER 31 HB2 SER 31 8.608 -0.357 -14.564 228 HG SER 31 HG SER 31 10.063 1.215 -15.035 229 H THR 32 H THR 32 10.752 -3.444 -13.646 230 HA THR 32 HA THR 32 13.462 -3.669 -13.130 231 HB THR 32 HB THR 32 11.910 -5.394 -15.067 232 HG1 THR 32 HG1 THR 32 12.128 -5.614 -12.228 233 HG21 THR 32 HG21 THR 32 14.250 -6.000 -13.251 234 HG22 THR 32 HG22 THR 32 14.322 -5.840 -15.005 235 HG23 THR 32 HG23 THR 32 13.415 -7.165 -14.278 236 H ASP 33 H ASP 33 11.805 -2.843 -16.132 237 HA ASP 33 HA ASP 33 14.174 -2.896 -17.754 238 HB2 ASP 33 HB2 ASP 33 12.075 -3.257 -18.853 239 HB3 ASP 33 HB3 ASP 33 11.409 -1.763 -18.204 240 H GLY 34 H GLY 34 12.509 -0.520 -15.818 241 HA2 GLY 34 HA3 GLY 34 13.597 1.363 -14.910 242 HA3 GLY 34 HA2 GLY 34 14.773 1.283 -16.212 243 H ASP 35 H ASP 35 11.550 0.983 -17.260 244 HA ASP 35 HA ASP 35 11.718 3.580 -18.531 245 HB2 ASP 35 HB2 ASP 35 10.936 1.473 -19.706 246 HB3 ASP 35 HB3 ASP 35 9.470 1.617 -18.755 247 H LYS 36 H LYS 36 9.042 1.931 -16.913 248 HA LYS 36 HA LYS 36 7.992 4.489 -16.031 249 HB2 LYS 36 HB2 LYS 36 6.053 3.156 -15.227 250 HB3 LYS 36 HB3 LYS 36 6.420 2.849 -16.921 251 HG2 LYS 36 HG2 LYS 36 7.669 0.869 -16.209 252 HG3 LYS 36 HG3 LYS 36 7.130 1.147 -14.568 253 HD2 LYS 36 HD2 LYS 36 5.700 -0.494 -15.621 254 HD3 LYS 36 HD3 LYS 36 4.811 0.991 -15.300 255 HE2 LYS 36 HE2 LYS 36 4.862 1.620 -17.568 256 HE3 LYS 36 HE3 LYS 36 6.036 0.371 -17.974 257 HZ1 LYS 36 HZ1 LYS 36 4.373 -1.297 -17.580 258 HZ2 LYS 36 HZ2 LYS 36 3.751 -0.163 -18.665 259 HZ3 LYS 36 HZ3 LYS 36 3.260 -0.137 -17.050 260 H VAL 37 H VAL 37 7.659 5.050 -13.967 261 HA VAL 37 HA VAL 37 8.849 3.571 -11.743 262 HB VAL 37 HB VAL 37 9.767 6.379 -12.457 263 HG11 VAL 37 HG21 VAL 37 9.581 6.059 -10.054 264 HG12 VAL 37 HG22 VAL 37 11.274 6.155 -10.536 265 HG13 VAL 37 HG23 VAL 37 10.551 4.591 -10.158 266 HG21 VAL 37 HG13 VAL 37 10.826 4.710 -13.887 267 HG22 VAL 37 HG11 VAL 37 11.318 3.790 -12.466 268 HG23 VAL 37 HG12 VAL 37 11.988 5.394 -12.752 269 H HIS 38 H HIS 38 7.817 4.074 -9.811 270 HA HIS 38 HA HIS 38 6.082 6.434 -9.721 271 HB2 HIS 38 HB3 HIS 38 4.846 4.284 -10.417 272 HB3 HIS 38 HB2 HIS 38 5.116 3.779 -8.750 273 HD1 HIS 38 HD1 HIS 38 2.905 5.789 -10.855 274 HD2 HIS 38 HD2 HIS 38 3.816 5.534 -6.809 275 HE1 HIS 38 HE1 HIS 38 1.056 7.003 -9.672 276 HE2 HIS 38 HE2 HIS 38 1.765 7.050 -7.257 277 H THR 39 H THR 39 6.439 7.519 -7.877 278 HA THR 39 HA THR 39 7.806 6.078 -5.710 279 HB THR 39 HB THR 39 7.622 9.067 -6.184 280 HG1 THR 39 HG1 THR 39 8.866 8.253 -7.821 281 HG21 THR 39 HG21 THR 39 9.414 7.453 -4.367 282 HG22 THR 39 HG22 THR 39 8.043 8.433 -3.847 283 HG23 THR 39 HG23 THR 39 9.455 9.204 -4.576 284 H VAL 40 H VAL 40 6.985 6.120 -3.578 285 HA VAL 40 HA VAL 40 4.325 7.378 -3.199 286 HB VAL 40 HB VAL 40 5.439 4.801 -2.106 287 HG11 VAL 40 HG21 VAL 40 2.983 6.299 -1.245 288 HG12 VAL 40 HG22 VAL 40 4.376 5.862 -0.254 289 HG13 VAL 40 HG23 VAL 40 3.293 4.607 -0.862 290 HG21 VAL 40 HG13 VAL 40 2.794 5.193 -3.431 291 HG22 VAL 40 HG11 VAL 40 3.754 3.720 -3.264 292 HG23 VAL 40 HG12 VAL 40 4.268 4.984 -4.389 293 H VAL 41 H VAL 41 4.177 8.883 -1.582 294 HA VAL 41 HA VAL 41 6.301 9.098 0.401 295 HB VAL 41 HB VAL 41 3.877 10.879 0.058 296 HG11 VAL 41 HG21 VAL 41 6.384 11.204 1.718 297 HG12 VAL 41 HG22 VAL 41 4.743 10.972 2.319 298 HG13 VAL 41 HG23 VAL 41 5.170 12.461 1.477 299 HG21 VAL 41 HG13 VAL 41 6.722 11.284 -0.858 300 HG22 VAL 41 HG11 VAL 41 5.435 12.485 -0.945 301 HG23 VAL 41 HG12 VAL 41 5.321 11.003 -1.891 302 H LEU 42 H LEU 42 6.141 7.768 1.952 303 HA LEU 42 HA LEU 42 4.062 6.335 2.973 304 HB2 LEU 42 HB2 LEU 42 6.582 7.359 4.220 305 HB3 LEU 42 HB3 LEU 42 5.428 6.424 5.158 306 HG LEU 42 HG LEU 42 7.433 5.205 4.093 307 HD11 LEU 42 HD11 LEU 42 6.097 3.215 3.825 308 HD12 LEU 42 HD12 LEU 42 4.633 4.184 3.683 309 HD13 LEU 42 HD13 LEU 42 5.530 4.149 5.204 310 HD21 LEU 42 HD21 LEU 42 7.272 6.062 1.836 311 HD22 LEU 42 HD22 LEU 42 5.635 5.415 1.682 312 HD23 LEU 42 HD23 LEU 42 7.006 4.317 1.844 313 H SER 43 H SER 43 4.946 9.653 3.811 314 HA SER 43 HA SER 43 3.191 9.764 6.063 315 HB2 SER 43 HB3 SER 43 4.588 11.926 4.516 316 HB3 SER 43 HB2 SER 43 3.611 12.230 5.950 317 HG SER 43 HG SER 43 5.310 11.734 7.043 318 H THR 44 H THR 44 2.865 10.508 2.641 319 HA THR 44 HA THR 44 0.266 11.716 2.989 320 HB THR 44 HB THR 44 0.096 11.621 0.521 321 HG1 THR 44 HG1 THR 44 2.066 9.784 0.815 322 HG21 THR 44 HG21 THR 44 1.187 13.537 1.558 323 HG22 THR 44 HG22 THR 44 1.962 13.141 0.023 324 HG23 THR 44 HG23 THR 44 2.730 12.683 1.542 325 H ILE 45 H ILE 45 1.495 8.635 3.042 326 HA ILE 45 HA ILE 45 -0.837 7.235 2.164 327 HB ILE 45 HB ILE 45 1.624 6.349 3.654 328 HG12 ILE 45 HG13 ILE 45 2.017 7.113 1.332 329 HG13 ILE 45 HG12 ILE 45 2.339 5.406 1.539 330 HG21 ILE 45 HG21 ILE 45 0.953 4.079 3.197 331 HG22 ILE 45 HG22 ILE 45 -0.522 4.647 2.421 332 HG23 ILE 45 HG23 ILE 45 -0.279 4.903 4.149 333 HD11 ILE 45 HD11 ILE 45 -0.044 6.660 0.188 334 HD12 ILE 45 HD12 ILE 45 0.058 4.942 0.564 335 HD13 ILE 45 HD13 ILE 45 1.220 5.671 -0.549 336 H ASP 46 H ASP 46 -2.529 6.658 3.323 337 HA ASP 46 HA ASP 46 -2.825 7.381 6.107 338 HB2 ASP 46 HB2 ASP 46 -4.743 7.719 4.724 339 HB3 ASP 46 HB3 ASP 46 -4.635 6.110 4.048 340 H LYS 47 H LYS 47 -2.515 4.471 4.176 341 HA LYS 47 HA LYS 47 -2.115 2.828 6.563 342 HB2 LYS 47 HB2 LYS 47 -4.341 2.602 4.585 343 HB3 LYS 47 HB3 LYS 47 -3.690 1.121 5.257 344 HG2 LYS 47 HG2 LYS 47 -4.949 3.417 6.752 345 HG3 LYS 47 HG3 LYS 47 -5.667 1.839 6.443 346 HD2 LYS 47 HD2 LYS 47 -3.875 0.795 7.760 347 HD3 LYS 47 HD3 LYS 47 -3.240 2.401 8.113 348 HE2 LYS 47 HE2 LYS 47 -5.554 2.937 8.999 349 HE3 LYS 47 HE3 LYS 47 -5.848 1.201 8.962 350 HZ1 LYS 47 HZ1 LYS 47 -3.719 1.029 10.318 351 HZ2 LYS 47 HZ2 LYS 47 -5.098 1.620 11.107 352 HZ3 LYS 47 HZ3 LYS 47 -3.895 2.692 10.594 353 H LEU 48 H LEU 48 -0.580 1.189 6.166 354 HA LEU 48 HA LEU 48 -0.239 0.511 3.323 355 HB2 LEU 48 HB2 LEU 48 1.924 1.017 4.047 356 HB3 LEU 48 HB3 LEU 48 1.667 0.237 5.608 357 HG LEU 48 HG LEU 48 1.485 -1.949 4.345 358 HD11 LEU 48 HD11 LEU 48 2.222 -2.131 2.157 359 HD12 LEU 48 HD12 LEU 48 2.972 -0.542 2.185 360 HD13 LEU 48 HD13 LEU 48 1.214 -0.682 2.122 361 HD21 LEU 48 HD21 LEU 48 3.684 -0.541 5.281 362 HD22 LEU 48 HD22 LEU 48 4.172 -1.225 3.731 363 HD23 LEU 48 HD23 LEU 48 3.552 -2.278 5.000 364 H GLN 49 H GLN 49 -0.490 -1.479 2.679 365 HA GLN 49 HA GLN 49 -1.643 -3.393 4.584 366 HB2 GLN 49 HB2 GLN 49 -2.314 -2.935 1.699 367 HB3 GLN 49 HB3 GLN 49 -2.943 -4.243 2.662 368 HG2 GLN 49 HG2 GLN 49 -3.383 -1.349 3.317 369 HG3 GLN 49 HG3 GLN 49 -4.503 -2.326 2.367 370 HE21 GLN 49 HE21 GLN 49 -5.621 -4.018 3.370 371 HE22 GLN 49 HE22 GLN 49 -5.813 -4.072 5.095 372 H ALA 50 H ALA 50 -1.316 -5.562 4.093 373 HA ALA 50 HA ALA 50 0.492 -6.450 2.061 374 HB1 ALA 50 HB1 ALA 50 2.105 -5.482 3.659 375 HB2 ALA 50 HB2 ALA 50 2.256 -7.240 3.571 376 HB3 ALA 50 HB3 ALA 50 1.433 -6.494 4.940 377 H THR 51 H THR 51 0.340 -8.700 1.840 378 HA THR 51 HA THR 51 -2.018 -9.951 2.693 379 HB THR 51 HB THR 51 -0.929 -12.065 1.939 380 HG1 THR 51 HG1 THR 51 1.141 -12.166 1.455 381 HG21 THR 51 HG21 THR 51 -2.026 -10.788 0.264 382 HG22 THR 51 HG22 THR 51 -0.477 -11.316 -0.411 383 HG23 THR 51 HG23 THR 51 -0.673 -9.662 0.166 384 HA PRO 52 HA PRO 52 -1.052 -11.060 6.910 385 HB2 PRO 52 HB3 PRO 52 -3.379 -12.377 7.312 386 HB3 PRO 52 HB2 PRO 52 -3.301 -10.615 7.249 387 HG2 PRO 52 HG3 PRO 52 -4.038 -12.553 5.093 388 HG3 PRO 52 HG2 PRO 52 -4.873 -11.087 5.597 389 HD2 PRO 52 HD2 PRO 52 -3.269 -11.129 3.465 390 HD3 PRO 52 HD3 PRO 52 -3.357 -9.716 4.521 391 H ALA 53 H ALA 53 -0.912 -13.107 8.146 392 HA ALA 53 HA ALA 53 0.252 -15.249 6.751 393 HB1 ALA 53 HB1 ALA 53 0.073 -16.491 8.845 394 HB2 ALA 53 HB2 ALA 53 -1.045 -15.283 9.476 395 HB3 ALA 53 HB3 ALA 53 0.628 -14.843 9.136 396 H SER 54 H SER 54 -3.054 -14.482 7.461 397 HA SER 54 HA SER 54 -4.230 -16.990 6.850 398 HB2 SER 54 HB3 SER 54 -5.370 -15.111 8.036 399 HB3 SER 54 HB2 SER 54 -5.411 -14.222 6.522 400 HG SER 54 HG SER 54 -6.425 -16.695 6.166 401 H SER 55 H SER 55 -2.920 -14.432 4.969 402 HA SER 55 HA SER 55 -4.095 -15.318 2.473 403 HB2 SER 55 HB3 SER 55 -3.553 -12.887 2.885 404 HB3 SER 55 HB2 SER 55 -1.854 -13.336 2.952 405 HG SER 55 HG SER 55 -3.165 -12.671 0.830 406 H GLU 56 H GLU 56 -3.079 -16.596 0.962 407 HA GLU 56 HA GLU 56 -0.584 -17.856 1.768 408 HB2 GLU 56 HB2 GLU 56 -2.553 -18.460 -0.398 409 HB3 GLU 56 HB3 GLU 56 -1.027 -19.306 -0.246 410 HG2 GLU 56 HG3 GLU 56 -3.229 -19.235 1.790 411 HG3 GLU 56 HG2 GLU 56 -2.814 -20.571 0.726 412 H LYS 57 H LYS 57 -1.724 -15.318 -0.032 413 HA LYS 57 HA LYS 57 0.307 -15.401 -2.060 414 HB2 LYS 57 HB2 LYS 57 -1.867 -13.423 -1.543 415 HB3 LYS 57 HB3 LYS 57 -0.767 -13.346 -2.898 416 HG2 LYS 57 HG2 LYS 57 -2.760 -14.280 -3.692 417 HG3 LYS 57 HG3 LYS 57 -1.628 -15.603 -3.537 418 HD2 LYS 57 HD2 LYS 57 -3.830 -16.241 -2.753 419 HD3 LYS 57 HD3 LYS 57 -2.618 -16.232 -1.459 420 HE2 LYS 57 HE2 LYS 57 -3.408 -14.205 -0.593 421 HE3 LYS 57 HE3 LYS 57 -4.401 -13.880 -2.012 422 HZ1 LYS 57 HZ1 LYS 57 -5.696 -14.619 -0.069 423 HZ2 LYS 57 HZ2 LYS 57 -4.893 -16.105 -0.106 424 HZ3 LYS 57 HZ3 LYS 57 -5.875 -15.645 -1.399 425 H MET 58 H MET 58 1.255 -13.096 -2.511 426 HA MET 58 HA MET 58 2.204 -11.925 0.013 427 HB2 MET 58 HB3 MET 58 4.291 -11.881 -1.936 428 HB3 MET 58 HB2 MET 58 4.312 -12.660 -0.368 429 HG2 MET 58 HG3 MET 58 3.016 -14.004 -2.699 430 HG3 MET 58 HG2 MET 58 4.756 -14.067 -2.500 431 HE1 MET 58 HE1 MET 58 4.682 -16.694 -2.475 432 HE2 MET 58 HE2 MET 58 2.931 -16.651 -2.680 433 HE3 MET 58 HE3 MET 58 3.645 -17.639 -1.406 434 H MET 59 H MET 59 1.562 -9.850 -0.123 435 HA MET 59 HA MET 59 2.091 -8.296 -2.489 436 HB2 MET 59 HB3 MET 59 -0.707 -9.101 -1.769 437 HB3 MET 59 HB2 MET 59 -0.406 -7.567 -2.563 438 HG2 MET 59 HG3 MET 59 0.611 -8.733 -4.429 439 HG3 MET 59 HG2 MET 59 0.360 -10.274 -3.628 440 HE1 MET 59 HE1 MET 59 -2.303 -10.467 -2.490 441 HE2 MET 59 HE2 MET 59 -1.900 -11.632 -3.747 442 HE3 MET 59 HE3 MET 59 -3.449 -10.791 -3.788 443 H LEU 60 H LEU 60 1.963 -6.114 -2.168 444 HA LEU 60 HA LEU 60 1.274 -5.182 0.547 445 HB2 LEU 60 HB2 LEU 60 3.648 -4.807 -1.071 446 HB3 LEU 60 HB3 LEU 60 2.921 -3.274 -0.628 447 HG LEU 60 HG LEU 60 2.898 -4.299 1.770 448 HD11 LEU 60 HD11 LEU 60 3.640 -6.526 1.182 449 HD12 LEU 60 HD12 LEU 60 4.847 -5.711 2.189 450 HD13 LEU 60 HD13 LEU 60 5.103 -5.860 0.448 451 HD21 LEU 60 HD21 LEU 60 5.121 -3.347 2.142 452 HD22 LEU 60 HD22 LEU 60 4.103 -2.319 1.134 453 HD23 LEU 60 HD23 LEU 60 5.371 -3.299 0.397 454 H ARG 61 H ARG 61 0.325 -3.045 0.658 455 HA ARG 61 HA ARG 61 -0.294 -1.676 -1.809 456 HB2 ARG 61 HB2 ARG 61 -2.114 -3.356 -1.535 457 HB3 ARG 61 HB3 ARG 61 -2.566 -2.573 -0.040 458 HG2 ARG 61 HG2 ARG 61 -2.954 -0.481 -1.341 459 HG3 ARG 61 HG3 ARG 61 -2.701 -1.430 -2.809 460 HD2 ARG 61 HD2 ARG 61 -4.477 -3.009 -1.709 461 HD3 ARG 61 HD3 ARG 61 -4.913 -1.560 -0.815 462 HE ARG 61 HE ARG 61 -4.813 -0.892 -3.524 463 HH11 ARG 61 HH11 ARG 61 -6.678 -2.941 -1.369 464 HH12 ARG 61 HH12 ARG 61 -8.127 -2.830 -2.330 465 HH21 ARG 61 HH21 ARG 61 -6.715 -0.762 -4.785 466 HH22 ARG 61 HH22 ARG 61 -8.140 -1.622 -4.280 467 H LEU 62 H LEU 62 0.302 0.325 -1.378 468 HA LEU 62 HA LEU 62 0.056 1.379 1.339 469 HB2 LEU 62 HB2 LEU 62 1.700 2.039 -1.055 470 HB3 LEU 62 HB3 LEU 62 1.330 3.346 0.046 471 HG LEU 62 HG LEU 62 2.492 0.757 1.032 472 HD11 LEU 62 HD11 LEU 62 4.004 1.685 -0.692 473 HD12 LEU 62 HD12 LEU 62 4.710 1.680 0.930 474 HD13 LEU 62 HD13 LEU 62 4.084 3.182 0.236 475 HD21 LEU 62 HD21 LEU 62 3.222 2.103 2.896 476 HD22 LEU 62 HD22 LEU 62 1.482 2.277 2.658 477 HD23 LEU 62 HD23 LEU 62 2.577 3.552 2.127 478 H ILE 63 H ILE 63 -1.737 2.390 1.833 479 HA ILE 63 HA ILE 63 -3.607 3.344 -0.172 480 HB ILE 63 HB ILE 63 -3.994 3.729 2.770 481 HG12 ILE 63 HG13 ILE 63 -3.109 1.464 2.653 482 HG13 ILE 63 HG12 ILE 63 -4.814 1.451 3.074 483 HG21 ILE 63 HG21 ILE 63 -5.622 4.336 0.823 484 HG22 ILE 63 HG22 ILE 63 -6.227 3.688 2.344 485 HG23 ILE 63 HG23 ILE 63 -6.060 2.630 0.948 486 HD11 ILE 63 HD11 ILE 63 -3.638 0.820 0.395 487 HD12 ILE 63 HD12 ILE 63 -5.356 0.844 0.787 488 HD13 ILE 63 HD13 ILE 63 -4.290 -0.322 1.569 489 H GLY 64 H GLY 64 -3.123 5.398 -0.960 490 HA2 GLY 64 HA3 GLY 64 -1.886 7.351 0.773 491 HA3 GLY 64 HA2 GLY 64 -2.326 7.595 -0.898 492 H LYS 65 H LYS 65 -2.767 9.133 1.673 493 HA LYS 65 HA LYS 65 -5.401 9.074 2.522 494 HB2 LYS 65 HB2 LYS 65 -3.290 11.185 2.469 495 HB3 LYS 65 HB3 LYS 65 -4.934 11.655 2.879 496 HG2 LYS 65 HG2 LYS 65 -4.631 10.947 4.952 497 HG3 LYS 65 HG3 LYS 65 -4.287 9.336 4.358 498 HD2 LYS 65 HD2 LYS 65 -1.955 9.819 4.176 499 HD3 LYS 65 HD3 LYS 65 -2.238 11.521 4.549 500 HE2 LYS 65 HE2 LYS 65 -2.894 11.004 6.780 501 HE3 LYS 65 HE3 LYS 65 -2.910 9.280 6.431 502 HZ1 LYS 65 HZ1 LYS 65 -0.539 9.300 6.181 503 HZ2 LYS 65 HZ2 LYS 65 -0.933 10.003 7.668 504 HZ3 LYS 65 HZ3 LYS 65 -0.481 10.982 6.368 505 H VAL 66 H VAL 66 -7.285 9.918 1.856 506 HA VAL 66 HA VAL 66 -7.405 10.623 -0.956 507 HB VAL 66 HB VAL 66 -8.951 8.949 -0.047 508 HG11 VAL 66 HG21 VAL 66 -9.322 9.842 2.167 509 HG12 VAL 66 HG22 VAL 66 -10.860 9.637 1.332 510 HG13 VAL 66 HG23 VAL 66 -10.147 11.241 1.485 511 HG21 VAL 66 HG13 VAL 66 -11.000 9.794 -1.100 512 HG22 VAL 66 HG11 VAL 66 -9.563 10.120 -2.069 513 HG23 VAL 66 HG12 VAL 66 -10.298 11.413 -1.121 514 H ASP 67 H ASP 67 -8.421 12.406 -1.762 515 HA ASP 67 HA ASP 67 -8.307 14.751 -0.059 516 HB2 ASP 67 HB2 ASP 67 -8.601 15.912 -2.307 517 HB3 ASP 67 HB3 ASP 67 -7.098 15.048 -2.066 518 H GLU 68 H GLU 68 -10.203 14.286 1.127 519 HA GLU 68 HA GLU 68 -12.697 13.983 -0.255 520 HB2 GLU 68 HB2 GLU 68 -13.414 14.297 2.336 521 HB3 GLU 68 HB3 GLU 68 -13.065 12.771 1.540 522 HG2 GLU 68 HG3 GLU 68 -11.881 12.774 3.525 523 HG3 GLU 68 HG2 GLU 68 -10.706 13.038 2.259 524 H SER 69 H SER 69 -11.001 16.467 1.516 525 HA SER 69 HA SER 69 -13.070 18.369 1.614 526 HB2 SER 69 HB3 SER 69 -11.146 20.019 1.737 527 HB3 SER 69 HB2 SER 69 -11.131 18.736 2.943 528 HG SER 69 HG SER 69 -9.168 19.344 1.429 529 H LYS 70 H LYS 70 -10.787 17.436 -0.849 530 HA LYS 70 HA LYS 70 -11.735 19.420 -2.741 531 HB2 LYS 70 HB2 LYS 70 -9.942 17.053 -3.301 532 HB3 LYS 70 HB3 LYS 70 -10.089 18.538 -4.229 533 HG2 LYS 70 HG2 LYS 70 -9.004 18.401 -1.436 534 HG3 LYS 70 HG3 LYS 70 -8.013 18.388 -2.888 535 HD2 LYS 70 HD2 LYS 70 -9.941 20.572 -2.133 536 HD3 LYS 70 HD3 LYS 70 -8.200 20.624 -1.843 537 HE2 LYS 70 HE2 LYS 70 -9.563 20.404 -4.515 538 HE3 LYS 70 HE3 LYS 70 -8.792 21.849 -3.869 539 HZ1 LYS 70 HZ1 LYS 70 -7.429 19.289 -4.515 540 HZ2 LYS 70 HZ2 LYS 70 -6.679 20.661 -3.879 541 HZ3 LYS 70 HZ3 LYS 70 -7.354 20.709 -5.427 542 H LYS 71 H LYS 71 -13.958 18.416 -2.236 543 HA LYS 71 HA LYS 71 -14.740 15.912 -2.964 544 HB2 LYS 71 HB2 LYS 71 -17.006 16.873 -3.276 545 HB3 LYS 71 HB3 LYS 71 -16.232 17.276 -1.757 546 HG2 LYS 71 HG2 LYS 71 -15.547 19.439 -2.755 547 HG3 LYS 71 HG3 LYS 71 -16.524 19.009 -4.151 548 HD2 LYS 71 HD2 LYS 71 -17.603 19.089 -1.361 549 HD3 LYS 71 HD3 LYS 71 -17.654 20.488 -2.432 550 HE2 LYS 71 HE2 LYS 71 -18.914 17.802 -2.928 551 HE3 LYS 71 HE3 LYS 71 -19.766 19.255 -2.418 552 HZ1 LYS 71 HZ1 LYS 71 -18.991 20.306 -4.509 553 HZ2 LYS 71 HZ2 LYS 71 -20.045 19.012 -4.751 554 HZ3 LYS 71 HZ3 LYS 71 -18.387 18.809 -5.005 555 H ARG 72 H ARG 72 -15.024 14.828 -4.745 556 HA ARG 72 HA ARG 72 -14.371 16.160 -7.257 557 HB2 ARG 72 HB2 ARG 72 -13.469 14.193 -7.948 558 HB3 ARG 72 HB3 ARG 72 -13.433 13.834 -6.230 559 HG2 ARG 72 HG2 ARG 72 -15.223 12.388 -6.373 560 HG3 ARG 72 HG3 ARG 72 -15.784 13.073 -7.895 561 HD2 ARG 72 HD2 ARG 72 -14.628 10.788 -7.972 562 HD3 ARG 72 HD3 ARG 72 -14.119 12.012 -9.133 563 HE ARG 72 HE ARG 72 -12.429 12.282 -6.971 564 HH11 ARG 72 HH11 ARG 72 -13.256 9.730 -9.223 565 HH12 ARG 72 HH12 ARG 72 -11.675 9.018 -9.193 566 HH21 ARG 72 HH21 ARG 72 -10.340 11.332 -6.932 567 HH22 ARG 72 HH22 ARG 72 -10.032 9.912 -7.882 568 H LYS 73 H LYS 73 -15.593 15.146 -9.204 569 HA LYS 73 HA LYS 73 -18.414 14.788 -8.606 570 HB2 LYS 73 HB2 LYS 73 -18.475 16.446 -10.812 571 HB3 LYS 73 HB3 LYS 73 -18.943 16.865 -9.174 572 HG2 LYS 73 HG2 LYS 73 -17.472 18.531 -9.881 573 HG3 LYS 73 HG3 LYS 73 -16.549 17.518 -8.780 574 HD2 LYS 73 HD2 LYS 73 -15.795 16.278 -10.906 575 HD3 LYS 73 HD3 LYS 73 -16.373 17.705 -11.767 576 HE2 LYS 73 HE2 LYS 73 -14.341 17.709 -9.545 577 HE3 LYS 73 HE3 LYS 73 -13.963 17.794 -11.263 578 HZ1 LYS 73 HZ1 LYS 73 -15.191 19.872 -11.393 579 HZ2 LYS 73 HZ2 LYS 73 -13.941 19.979 -10.261 580 HZ3 LYS 73 HZ3 LYS 73 -15.536 19.797 -9.737 581 H ASP 74 H ASP 74 -19.628 13.857 -10.314 582 HA ASP 74 HA ASP 74 -17.993 12.068 -11.917 583 HB2 ASP 74 HB2 ASP 74 -19.871 11.254 -10.469 584 HB3 ASP 74 HB3 ASP 74 -20.999 12.110 -11.509 585 H ASN 75 H ASN 75 -19.971 11.639 -14.012 586 HA ASN 75 HA ASN 75 -18.739 13.312 -15.879 587 HB2 ASN 75 HB2 ASN 75 -21.282 11.718 -16.202 588 HB3 ASN 75 HB3 ASN 75 -20.322 12.397 -17.512 589 HD21 ASN 75 HD21 ASN 75 -20.977 9.644 -17.096 590 HD22 ASN 75 HD22 ASN 75 -19.486 8.793 -16.883 591 H GLU 76 H GLU 76 -21.664 13.863 -14.051 592 HA GLU 76 HA GLU 76 -22.684 15.801 -15.939 593 HB2 GLU 76 HB2 GLU 76 -24.085 14.282 -14.429 594 HB3 GLU 76 HB3 GLU 76 -23.643 15.365 -13.118 595 HG2 GLU 76 HG3 GLU 76 -25.770 16.036 -13.907 596 HG3 GLU 76 HG2 GLU 76 -24.596 17.234 -14.459 597 H GLY 77 H GLY 77 -20.533 15.653 -13.373 598 HA2 GLY 77 HA3 GLY 77 -19.154 17.402 -12.556 599 HA3 GLY 77 HA2 GLY 77 -20.260 18.577 -13.275 600 H ASN 78 H ASN 78 -21.158 15.856 -11.383 601 HA ASN 78 HA ASN 78 -22.883 17.530 -9.806 602 HB2 ASN 78 HB2 ASN 78 -23.708 15.160 -9.080 603 HB3 ASN 78 HB3 ASN 78 -24.009 15.707 -10.728 604 HD21 ASN 78 HD21 ASN 78 -24.037 13.922 -11.820 605 HD22 ASN 78 HD22 ASN 78 -22.700 12.848 -11.938 606 H GLU 79 H GLU 79 -21.384 14.541 -8.600 607 HA GLU 79 HA GLU 79 -19.508 15.635 -6.872 608 HB2 GLU 79 HB2 GLU 79 -20.691 15.562 -4.697 609 HB3 GLU 79 HB3 GLU 79 -21.260 16.848 -5.754 610 HG2 GLU 79 HG3 GLU 79 -23.185 15.468 -6.358 611 HG3 GLU 79 HG2 GLU 79 -22.580 14.205 -5.289 612 H VAL 80 H VAL 80 -18.235 13.964 -6.543 613 HA VAL 80 HA VAL 80 -19.458 11.474 -5.522 614 HB VAL 80 HB VAL 80 -16.834 11.416 -6.956 615 HG11 VAL 80 HG21 VAL 80 -17.443 9.080 -7.352 616 HG12 VAL 80 HG22 VAL 80 -18.972 9.345 -6.518 617 HG13 VAL 80 HG23 VAL 80 -17.450 9.488 -5.637 618 HG21 VAL 80 HG13 VAL 80 -19.518 11.135 -8.303 619 HG22 VAL 80 HG11 VAL 80 -17.957 10.774 -9.041 620 HG23 VAL 80 HG12 VAL 80 -18.348 12.427 -8.568 621 H VAL 81 H VAL 81 -18.363 10.521 -3.819 622 HA VAL 81 HA VAL 81 -15.993 11.959 -2.862 623 HB VAL 81 HB VAL 81 -17.717 12.239 -1.211 624 HG11 VAL 81 HG21 VAL 81 -19.202 10.424 -1.823 625 HG12 VAL 81 HG22 VAL 81 -18.831 10.362 -0.100 626 HG13 VAL 81 HG23 VAL 81 -18.043 9.244 -1.213 627 HG21 VAL 81 HG13 VAL 81 -15.750 10.132 -0.333 628 HG22 VAL 81 HG11 VAL 81 -16.692 11.157 0.750 629 HG23 VAL 81 HG12 VAL 81 -15.498 11.878 -0.329 630 HA PRO 82 HA PRO 82 -14.476 8.070 -4.445 631 HB2 PRO 82 HB3 PRO 82 -11.955 8.891 -4.784 632 HB3 PRO 82 HB2 PRO 82 -13.250 9.335 -5.894 633 HG2 PRO 82 HG3 PRO 82 -12.065 10.901 -3.652 634 HG3 PRO 82 HG2 PRO 82 -12.473 11.443 -5.283 635 HD2 PRO 82 HD2 PRO 82 -14.030 11.916 -3.159 636 HD3 PRO 82 HD3 PRO 82 -14.676 11.647 -4.776 637 H LYS 83 H LYS 83 -13.006 6.477 -3.840 638 HA LYS 83 HA LYS 83 -12.312 6.441 -1.030 639 HB2 LYS 83 HB2 LYS 83 -12.040 4.391 -3.238 640 HB3 LYS 83 HB3 LYS 83 -11.467 4.119 -1.602 641 HG2 LYS 83 HG2 LYS 83 -13.557 3.063 -1.725 642 HG3 LYS 83 HG3 LYS 83 -13.837 4.556 -0.833 643 HD2 LYS 83 HD2 LYS 83 -15.625 4.235 -2.410 644 HD3 LYS 83 HD3 LYS 83 -14.643 5.602 -2.935 645 HE2 LYS 83 HE2 LYS 83 -13.518 4.194 -4.565 646 HE3 LYS 83 HE3 LYS 83 -14.423 2.790 -4.005 647 HZ1 LYS 83 HZ1 LYS 83 -15.569 5.206 -5.294 648 HZ2 LYS 83 HZ2 LYS 83 -16.465 3.897 -4.712 649 HZ3 LYS 83 HZ3 LYS 83 -15.396 3.679 -6.003 650 HA PRO 84 HA PRO 84 -8.204 7.931 -1.373 651 HB2 PRO 84 HB3 PRO 84 -7.324 5.653 0.283 652 HB3 PRO 84 HB2 PRO 84 -7.165 7.388 0.567 653 HG2 PRO 84 HG3 PRO 84 -8.927 5.828 1.911 654 HG3 PRO 84 HG2 PRO 84 -9.202 7.547 1.583 655 HD2 PRO 84 HD2 PRO 84 -10.455 5.167 0.351 656 HD3 PRO 84 HD3 PRO 84 -11.079 6.817 0.523 657 H GLN 85 H GLN 85 -6.679 7.685 -2.857 658 HA GLN 85 HA GLN 85 -6.695 5.317 -4.430 659 HB2 GLN 85 HB2 GLN 85 -4.707 6.538 -5.618 660 HB3 GLN 85 HB3 GLN 85 -6.363 7.058 -5.850 661 HG2 GLN 85 HG2 GLN 85 -5.209 9.031 -5.575 662 HG3 GLN 85 HG3 GLN 85 -5.885 8.741 -3.980 663 HE21 GLN 85 HE21 GLN 85 -4.523 8.345 -2.275 664 HE22 GLN 85 HE22 GLN 85 -2.807 8.463 -2.393 665 H ARG 86 H ARG 86 -5.702 3.582 -4.093 666 HA ARG 86 HA ARG 86 -3.489 3.559 -2.171 667 HB2 ARG 86 HB2 ARG 86 -4.950 1.097 -3.090 668 HB3 ARG 86 HB3 ARG 86 -4.174 1.416 -1.537 669 HG2 ARG 86 HG2 ARG 86 -5.960 2.825 -0.852 670 HG3 ARG 86 HG3 ARG 86 -6.669 2.823 -2.463 671 HD2 ARG 86 HD2 ARG 86 -7.192 0.481 -2.279 672 HD3 ARG 86 HD3 ARG 86 -6.371 0.380 -0.727 673 HE ARG 86 HE ARG 86 -8.142 1.599 0.262 674 HH11 ARG 86 HH11 ARG 86 -8.685 0.951 -3.134 675 HH12 ARG 86 HH12 ARG 86 -10.407 1.111 -3.020 676 HH21 ARG 86 HH21 ARG 86 -10.413 1.816 0.409 677 HH22 ARG 86 HH22 ARG 86 -11.392 1.581 -1.006 678 H HIS 87 H HIS 87 -1.615 2.506 -2.625 679 HA HIS 87 HA HIS 87 -1.133 1.944 -5.470 680 HB2 HIS 87 HB3 HIS 87 0.877 2.508 -3.278 681 HB3 HIS 87 HB2 HIS 87 1.190 2.484 -5.003 682 HD1 HIS 87 HD1 HIS 87 -0.231 4.456 -6.368 683 HD2 HIS 87 HD2 HIS 87 0.377 4.976 -2.288 684 HE1 HIS 87 HE1 HIS 87 -0.621 6.900 -5.928 685 HE2 HIS 87 HE2 HIS 87 -0.189 7.207 -3.469 686 H MET 88 H MET 88 -1.192 -0.200 -5.900 687 HA MET 88 HA MET 88 -0.514 -2.033 -3.703 688 HB2 MET 88 HB3 MET 88 -2.807 -2.270 -4.594 689 HB3 MET 88 HB2 MET 88 -2.140 -2.615 -6.184 690 HG2 MET 88 HG3 MET 88 -1.007 -4.593 -5.243 691 HG3 MET 88 HG2 MET 88 -1.770 -4.265 -3.694 692 HE1 MET 88 HE1 MET 88 -4.780 -3.473 -4.378 693 HE2 MET 88 HE2 MET 88 -4.229 -4.593 -3.135 694 HE3 MET 88 HE3 MET 88 -5.487 -5.084 -4.271 695 H PHE 89 H PHE 89 1.318 -3.074 -3.792 696 HA PHE 89 HA PHE 89 2.531 -3.589 -6.423 697 HB2 PHE 89 HB3 PHE 89 4.249 -3.711 -4.025 698 HB3 PHE 89 HB2 PHE 89 4.576 -3.011 -5.606 699 HD1 PHE 89 HD2 PHE 89 3.687 -0.750 -6.143 700 HD2 PHE 89 HD1 PHE 89 3.564 -2.366 -2.215 701 HE1 PHE 89 HE2 PHE 89 3.362 1.509 -5.235 702 HE2 PHE 89 HE1 PHE 89 3.242 -0.110 -1.297 703 HZ PHE 89 HZ PHE 89 3.119 1.811 -2.763 704 H SER 90 H SER 90 2.627 -5.672 -6.935 705 HA SER 90 HA SER 90 2.024 -7.615 -4.857 706 HB2 SER 90 HB3 SER 90 0.697 -7.638 -6.948 707 HB3 SER 90 HB2 SER 90 2.160 -7.991 -7.855 708 HG SER 90 HG SER 90 0.569 -9.732 -6.866 709 H PHE 91 H PHE 91 3.446 -8.964 -4.077 710 HA PHE 91 HA PHE 91 6.077 -9.132 -5.388 711 HB2 PHE 91 HB3 PHE 91 5.233 -9.431 -2.524 712 HB3 PHE 91 HB2 PHE 91 6.735 -10.149 -3.094 713 HD1 PHE 91 HD2 PHE 91 8.323 -8.527 -4.387 714 HD2 PHE 91 HD1 PHE 91 5.265 -7.293 -1.718 715 HE1 PHE 91 HE2 PHE 91 9.481 -6.382 -4.065 716 HE2 PHE 91 HE1 PHE 91 6.417 -5.143 -1.384 717 HZ PHE 91 HZ PHE 91 8.527 -4.684 -2.561 718 H ASN 92 H ASN 92 7.181 -11.231 -5.100 719 HA ASN 92 HA ASN 92 5.264 -13.428 -5.521 720 HB2 ASN 92 HB2 ASN 92 7.965 -12.908 -6.764 721 HB3 ASN 92 HB3 ASN 92 7.150 -14.463 -6.881 722 HD21 ASN 92 HD21 ASN 92 7.015 -14.323 -9.110 723 HD22 ASN 92 HD22 ASN 92 5.915 -13.256 -9.907 724 H ASN 93 H ASN 93 7.427 -12.202 -3.385 725 HA ASN 93 HA ASN 93 8.013 -14.866 -2.285 726 HB2 ASN 93 HB2 ASN 93 10.044 -13.745 -3.232 727 HB3 ASN 93 HB3 ASN 93 9.802 -12.431 -2.090 728 HD21 ASN 93 HD21 ASN 93 12.074 -14.180 -2.369 729 HD22 ASN 93 HD22 ASN 93 12.268 -14.986 -0.851 730 H ARG 94 H ARG 94 7.090 -15.175 -0.442 731 HA ARG 94 HA ARG 94 5.513 -13.403 0.974 732 HB2 ARG 94 HB2 ARG 94 5.324 -15.814 1.205 733 HB3 ARG 94 HB3 ARG 94 6.923 -15.898 1.909 734 HG2 ARG 94 HG2 ARG 94 5.380 -16.112 3.677 735 HG3 ARG 94 HG3 ARG 94 6.077 -14.488 3.790 736 HD2 ARG 94 HD2 ARG 94 4.141 -13.587 2.626 737 HD3 ARG 94 HD3 ARG 94 3.437 -15.198 2.541 738 HE ARG 94 HE ARG 94 3.667 -15.026 5.127 739 HH11 ARG 94 HH11 ARG 94 2.799 -12.467 2.926 740 HH12 ARG 94 HH12 ARG 94 1.800 -11.631 4.071 741 HH21 ARG 94 HH21 ARG 94 2.374 -13.927 6.660 742 HH22 ARG 94 HH22 ARG 94 1.577 -12.454 6.207 743 H THR 95 H THR 95 8.915 -14.113 1.314 744 HA THR 95 HA THR 95 9.198 -12.887 3.872 745 HB THR 95 HB THR 95 11.283 -13.637 1.822 746 HG1 THR 95 HG1 THR 95 10.016 -14.998 3.952 747 HG21 THR 95 HG21 THR 95 11.990 -11.912 3.448 748 HG22 THR 95 HG22 THR 95 12.890 -13.424 3.595 749 HG23 THR 95 HG23 THR 95 11.616 -13.035 4.754 750 H VAL 96 H VAL 96 10.379 -11.973 0.644 751 HA VAL 96 HA VAL 96 11.358 -9.474 1.035 752 HB VAL 96 HB VAL 96 9.530 -10.318 -1.242 753 HG11 VAL 96 HG21 VAL 96 9.716 -7.893 -1.123 754 HG12 VAL 96 HG22 VAL 96 10.625 -8.504 -2.508 755 HG13 VAL 96 HG23 VAL 96 11.476 -8.005 -1.047 756 HG21 VAL 96 HG13 VAL 96 11.511 -11.748 -0.983 757 HG22 VAL 96 HG11 VAL 96 12.553 -10.326 -1.017 758 HG23 VAL 96 HG12 VAL 96 11.620 -10.770 -2.447 759 H MET 97 H MET 97 7.937 -10.163 0.271 760 HA MET 97 HA MET 97 7.159 -7.483 0.494 761 HB2 MET 97 HB3 MET 97 4.899 -8.276 0.405 762 HB3 MET 97 HB2 MET 97 5.899 -9.239 -0.679 763 HG2 MET 97 HG3 MET 97 5.126 -11.053 0.258 764 HG3 MET 97 HG2 MET 97 5.854 -10.591 1.791 765 HE1 MET 97 HE1 MET 97 2.941 -9.187 3.802 766 HE2 MET 97 HE2 MET 97 4.297 -8.343 3.052 767 HE3 MET 97 HE3 MET 97 4.550 -9.908 3.821 768 H ASP 98 H ASP 98 7.495 -10.027 2.891 769 HA ASP 98 HA ASP 98 6.074 -8.639 4.952 770 HB2 ASP 98 HB2 ASP 98 6.445 -11.103 4.942 771 HB3 ASP 98 HB3 ASP 98 8.161 -10.810 5.234 772 H ASN 99 H ASN 99 9.177 -8.368 3.574 773 HA ASN 99 HA ASN 99 10.398 -7.139 5.923 774 HB2 ASN 99 HB2 ASN 99 11.349 -7.637 3.087 775 HB3 ASN 99 HB3 ASN 99 12.336 -6.861 4.311 776 HD21 ASN 99 HD21 ASN 99 12.485 -9.448 2.786 777 HD22 ASN 99 HD22 ASN 99 12.766 -10.624 4.012 778 H ILE 100 H ILE 100 9.181 -6.379 2.783 779 HA ILE 100 HA ILE 100 9.775 -3.620 2.711 780 HB ILE 100 HB ILE 100 7.633 -5.246 1.345 781 HG12 ILE 100 HG13 ILE 100 10.311 -5.518 1.205 782 HG13 ILE 100 HG12 ILE 100 9.224 -5.881 -0.121 783 HG21 ILE 100 HG21 ILE 100 8.683 -2.508 0.657 784 HG22 ILE 100 HG22 ILE 100 7.087 -2.862 1.306 785 HG23 ILE 100 HG23 ILE 100 7.536 -3.444 -0.298 786 HD11 ILE 100 HD11 ILE 100 11.149 -4.542 -0.839 787 HD12 ILE 100 HD12 ILE 100 10.701 -3.277 0.312 788 HD13 ILE 100 HD13 ILE 100 9.642 -3.649 -1.050 789 H LYS 101 H LYS 101 6.712 -5.347 3.528 790 HA LYS 101 HA LYS 101 5.228 -3.104 4.119 791 HB2 LYS 101 HB2 LYS 101 3.940 -4.678 5.596 792 HB3 LYS 101 HB3 LYS 101 4.067 -5.133 3.913 793 HG2 LYS 101 HG2 LYS 101 5.458 -6.850 4.363 794 HG3 LYS 101 HG3 LYS 101 6.071 -6.104 5.826 795 HD2 LYS 101 HD2 LYS 101 3.227 -6.858 5.872 796 HD3 LYS 101 HD3 LYS 101 4.378 -8.193 5.830 797 HE2 LYS 101 HE2 LYS 101 5.579 -6.857 7.706 798 HE3 LYS 101 HE3 LYS 101 4.010 -6.071 7.904 799 HZ1 LYS 101 HZ1 LYS 101 4.556 -8.986 8.089 800 HZ2 LYS 101 HZ2 LYS 101 3.019 -8.279 8.201 801 HZ3 LYS 101 HZ3 LYS 101 4.190 -7.949 9.379 802 H MET 102 H MET 102 7.476 -4.972 6.115 803 HA MET 102 HA MET 102 6.721 -3.690 8.561 804 HB2 MET 102 HB3 MET 102 8.389 -5.001 9.616 805 HB3 MET 102 HB2 MET 102 7.725 -6.023 8.354 806 HG2 MET 102 HG3 MET 102 9.945 -6.433 8.136 807 HG3 MET 102 HG2 MET 102 9.721 -5.153 6.954 808 HE1 MET 102 HE1 MET 102 9.984 -4.997 10.895 809 HE2 MET 102 HE2 MET 102 11.704 -4.655 11.081 810 HE3 MET 102 HE3 MET 102 11.179 -6.191 10.391 811 H THR 103 H THR 103 8.914 -3.103 5.994 812 HA THR 103 HA THR 103 10.540 -1.161 7.241 813 HB THR 103 HB THR 103 9.759 -1.648 4.362 814 HG1 THR 103 HG1 THR 103 11.146 -3.206 5.210 815 HG21 THR 103 HG21 THR 103 11.782 0.320 5.403 816 HG22 THR 103 HG22 THR 103 10.247 0.712 4.623 817 HG23 THR 103 HG23 THR 103 11.523 -0.109 3.708 818 H LEU 104 H LEU 104 7.605 -0.972 5.262 819 HA LEU 104 HA LEU 104 7.495 1.870 5.369 820 HB2 LEU 104 HB2 LEU 104 5.319 -0.079 4.610 821 HB3 LEU 104 HB3 LEU 104 5.341 1.625 4.257 822 HG LEU 104 HG LEU 104 7.503 -0.133 3.176 823 HD11 LEU 104 HD11 LEU 104 6.108 -0.294 1.104 824 HD12 LEU 104 HD12 LEU 104 4.735 0.181 2.103 825 HD13 LEU 104 HD13 LEU 104 5.608 -1.310 2.452 826 HD21 LEU 104 HD21 LEU 104 7.554 1.518 1.425 827 HD22 LEU 104 HD22 LEU 104 7.709 2.292 3.002 828 HD23 LEU 104 HD23 LEU 104 6.163 2.329 2.148 829 H GLN 105 H GLN 105 5.353 -0.626 6.749 830 HA GLN 105 HA GLN 105 3.654 1.042 8.135 831 HB2 GLN 105 HB2 GLN 105 4.574 -1.695 9.012 832 HB3 GLN 105 HB3 GLN 105 3.157 -0.861 9.630 833 HG2 GLN 105 HG2 GLN 105 2.159 -0.887 7.424 834 HG3 GLN 105 HG3 GLN 105 3.597 -1.660 6.777 835 HE21 GLN 105 HE21 GLN 105 0.910 -2.560 6.635 836 HE22 GLN 105 HE22 GLN 105 0.854 -4.108 7.405 837 H GLN 106 H GLN 106 6.938 0.229 9.019 838 HA GLN 106 HA GLN 106 6.707 1.048 11.737 839 HB2 GLN 106 HB2 GLN 106 8.947 0.521 9.864 840 HB3 GLN 106 HB3 GLN 106 9.263 1.317 11.378 841 HG2 GLN 106 HG2 GLN 106 8.142 -0.630 12.510 842 HG3 GLN 106 HG3 GLN 106 8.157 -1.427 10.935 843 HE21 GLN 106 HE21 GLN 106 10.110 -2.059 10.035 844 HE22 GLN 106 HE22 GLN 106 11.560 -2.178 10.977 845 H ILE 107 H ILE 107 7.756 2.494 8.735 846 HA ILE 107 HA ILE 107 8.343 5.094 9.618 847 HB ILE 107 HB ILE 107 7.193 4.146 6.976 848 HG12 ILE 107 HG13 ILE 107 10.071 4.779 7.569 849 HG13 ILE 107 HG12 ILE 107 9.420 3.162 7.763 850 HG21 ILE 107 HG21 ILE 107 8.610 6.722 7.620 851 HG22 ILE 107 HG22 ILE 107 6.879 6.535 7.323 852 HG23 ILE 107 HG23 ILE 107 8.033 6.209 6.035 853 HD11 ILE 107 HD11 ILE 107 9.483 4.754 5.211 854 HD12 ILE 107 HD12 ILE 107 8.853 3.120 5.396 855 HD13 ILE 107 HD13 ILE 107 10.568 3.433 5.640 856 H ILE 108 H ILE 108 5.360 3.580 8.454 857 HA ILE 108 HA ILE 108 3.759 5.917 8.515 858 HB ILE 108 HB ILE 108 2.742 3.104 8.942 859 HG12 ILE 108 HG13 ILE 108 4.091 4.334 6.608 860 HG13 ILE 108 HG12 ILE 108 4.093 2.672 7.147 861 HG21 ILE 108 HG21 ILE 108 1.055 4.824 9.088 862 HG22 ILE 108 HG22 ILE 108 0.834 3.905 7.598 863 HG23 ILE 108 HG23 ILE 108 1.572 5.509 7.549 864 HD11 ILE 108 HD11 ILE 108 1.707 2.559 6.291 865 HD12 ILE 108 HD12 ILE 108 3.009 2.648 5.103 866 HD13 ILE 108 HD13 ILE 108 2.060 4.090 5.480 867 H SER 109 H SER 109 4.169 3.286 10.850 868 HA SER 109 HA SER 109 2.583 4.279 12.923 869 HB2 SER 109 HB3 SER 109 3.487 1.991 12.888 870 HB3 SER 109 HB2 SER 109 5.118 2.628 13.089 871 HG SER 109 HG SER 109 4.766 2.885 15.151 872 H ARG 110 H ARG 110 5.773 5.080 11.850 873 HA ARG 110 HA ARG 110 6.652 6.552 14.087 874 HB2 ARG 110 HB2 ARG 110 8.450 6.073 12.739 875 HB3 ARG 110 HB3 ARG 110 7.484 6.114 11.295 876 HG2 ARG 110 HG2 ARG 110 7.523 8.447 11.217 877 HG3 ARG 110 HG3 ARG 110 8.372 8.551 12.767 878 HD2 ARG 110 HD2 ARG 110 10.217 7.236 11.735 879 HD3 ARG 110 HD3 ARG 110 9.388 7.373 10.191 880 HE ARG 110 HE ARG 110 9.654 9.948 11.209 881 HH11 ARG 110 HH11 ARG 110 11.755 7.375 10.097 882 HH12 ARG 110 HH12 ARG 110 13.007 8.458 9.578 883 HH21 ARG 110 HH21 ARG 110 11.308 11.371 10.532 884 HH22 ARG 110 HH22 ARG 110 12.752 10.723 9.823 885 H TYR 111 H TYR 111 4.780 7.291 11.215 886 HA TYR 111 HA TYR 111 4.894 10.115 11.762 887 HB2 TYR 111 HB3 TYR 111 3.950 8.471 9.473 888 HB3 TYR 111 HB2 TYR 111 3.370 10.123 9.636 889 HD1 TYR 111 HD2 TYR 111 5.146 11.973 9.910 890 HD2 TYR 111 HD1 TYR 111 6.023 8.055 8.582 891 HE1 TYR 111 HE2 TYR 111 7.289 12.772 9.010 892 HE2 TYR 111 HE1 TYR 111 8.185 8.822 7.680 893 HH TYR 111 HH TYR 111 9.335 10.750 7.042 894 H LYS 112 H LYS 112 2.785 7.469 12.310 895 HA LYS 112 HA LYS 112 0.486 9.097 12.924 896 HB2 LYS 112 HB2 LYS 112 1.146 6.223 13.619 897 HB3 LYS 112 HB3 LYS 112 -0.398 7.002 13.953 898 HG2 LYS 112 HG2 LYS 112 -1.099 6.729 11.855 899 HG3 LYS 112 HG3 LYS 112 0.448 7.249 11.180 900 HD2 LYS 112 HD2 LYS 112 0.052 4.946 10.579 901 HD3 LYS 112 HD3 LYS 112 1.387 5.044 11.711 902 HE2 LYS 112 HE2 LYS 112 -0.050 3.201 12.269 903 HE3 LYS 112 HE3 LYS 112 -0.113 4.421 13.535 904 HZ1 LYS 112 HZ1 LYS 112 -2.208 5.194 12.670 905 HZ2 LYS 112 HZ2 LYS 112 -2.307 3.535 12.974 906 HZ3 LYS 112 HZ3 LYS 112 -2.134 4.095 11.388 907 H ASP 113 H ASP 113 3.330 8.011 14.506 908 HA ASP 113 HA ASP 113 2.543 8.613 17.181 909 HB2 ASP 113 HB2 ASP 113 4.377 7.084 16.776 910 HB3 ASP 113 HB3 ASP 113 5.251 8.307 15.862 911 H ALA 114 H ALA 114 3.291 10.483 14.478 912 HA ALA 114 HA ALA 114 3.580 12.884 16.156 913 HB1 ALA 114 HB1 ALA 114 5.174 13.811 14.541 914 HB2 ALA 114 HB2 ALA 114 5.125 12.301 13.631 915 HB3 ALA 114 HB3 ALA 114 5.778 12.322 15.269 916 H ASP 115 H ASP 115 1.237 11.712 14.866 917 HA ASP 115 HA ASP 115 0.716 13.503 12.620 918 HB2 ASP 115 HB2 ASP 115 0.096 11.156 12.341 919 HB3 ASP 115 HB3 ASP 115 -0.937 11.242 13.760 920 H1 GLY 242 H1 GLY 242 -3.248 -24.983 -18.594 921 H2 GLY 242 H2 GLY 242 -3.303 -25.573 -20.177 922 H3 GLY 242 H3 GLY 242 -4.165 -26.355 -18.953 923 HA2 GLY 242 HA2 GLY 242 -4.695 -23.630 -19.985 924 HA3 GLY 242 HA3 GLY 242 -5.656 -25.060 -20.324 925 H GLY 243 H GLY 243 -4.767 -22.693 -17.913 926 HA2 GLY 243 HA3 GLY 243 -7.080 -23.595 -16.307 927 HA3 GLY 243 HA2 GLY 243 -5.600 -22.986 -15.580 928 H GLY 244 H GLY 244 -5.501 -20.995 -17.902 929 HA2 GLY 244 HA3 GLY 244 -7.752 -19.286 -17.623 930 HA3 GLY 244 HA2 GLY 244 -6.447 -18.763 -16.567 931 H GLY 245 H GLY 245 -5.929 -16.885 -17.628 932 HA2 GLY 245 HA3 GLY 245 -4.486 -15.763 -19.066 933 HA3 GLY 245 HA2 GLY 245 -4.321 -17.234 -20.011 934 H TYR 246 H TYR 246 -6.880 -17.801 -20.713 935 HA TYR 246 HA TYR 246 -7.316 -15.911 -22.807 936 HB2 TYR 246 HB3 TYR 246 -9.091 -17.406 -23.537 937 HB3 TYR 246 HB2 TYR 246 -7.669 -18.348 -23.103 938 HD1 TYR 246 HD1 TYR 246 -7.647 -19.596 -20.926 939 HD2 TYR 246 HD2 TYR 246 -11.158 -17.713 -22.414 940 HE1 TYR 246 HE1 TYR 246 -9.014 -20.945 -19.394 941 HE2 TYR 246 HE2 TYR 246 -12.533 -19.056 -20.884 942 HH TYR 246 HH TYR 246 -11.273 -20.741 -18.286 943 H ASP 247 H ASP 247 -8.408 -16.179 -19.629 944 HA ASP 247 HA ASP 247 -11.022 -15.077 -19.935 945 HB2 ASP 247 HB2 ASP 247 -9.239 -15.263 -17.495 946 HB3 ASP 247 HB3 ASP 247 -10.925 -14.769 -17.466 947 H VAL 248 H VAL 248 -11.679 -12.999 -19.875 948 HA VAL 248 HA VAL 248 -9.688 -10.900 -19.961 949 HB VAL 248 HB VAL 248 -12.695 -10.562 -19.934 950 HG11 VAL 248 HG21 VAL 248 -11.443 -8.513 -19.568 951 HG12 VAL 248 HG22 VAL 248 -12.199 -8.490 -21.162 952 HG13 VAL 248 HG23 VAL 248 -10.474 -8.825 -21.008 953 HG21 VAL 248 HG13 VAL 248 -12.102 -12.128 -21.708 954 HG22 VAL 248 HG11 VAL 248 -10.901 -10.992 -22.323 955 HG23 VAL 248 HG12 VAL 248 -12.615 -10.581 -22.380 956 H GLU 249 H GLU 249 -9.215 -11.914 -17.684 957 HA GLU 249 HA GLU 249 -10.788 -10.523 -15.621 958 HB2 GLU 249 HB2 GLU 249 -10.778 -13.007 -15.520 959 HB3 GLU 249 HB3 GLU 249 -9.029 -12.970 -15.360 960 HG2 GLU 249 HG3 GLU 249 -9.239 -11.776 -13.251 961 HG3 GLU 249 HG2 GLU 249 -10.994 -11.785 -13.414 962 H MET 250 H MET 250 -9.798 -8.739 -14.908 963 HA MET 250 HA MET 250 -6.949 -8.870 -14.300 964 HB2 MET 250 HB3 MET 250 -6.452 -6.770 -15.432 965 HB3 MET 250 HB2 MET 250 -7.052 -7.960 -16.577 966 HG2 MET 250 HG3 MET 250 -9.255 -6.902 -16.520 967 HG3 MET 250 HG2 MET 250 -8.644 -5.703 -15.382 968 HE1 MET 250 HE1 MET 250 -9.089 -3.631 -18.673 969 HE2 MET 250 HE2 MET 250 -9.489 -3.747 -16.959 970 HE3 MET 250 HE3 MET 250 -10.115 -4.944 -18.093 971 H GLU 251 H GLU 251 -9.742 -8.484 -12.971 972 HA GLU 251 HA GLU 251 -9.317 -5.924 -11.651 973 HB2 GLU 251 HB2 GLU 251 -11.589 -7.334 -12.287 974 HB3 GLU 251 HB3 GLU 251 -11.406 -7.681 -10.574 975 HG2 GLU 251 HG3 GLU 251 -11.443 -4.912 -11.751 976 HG3 GLU 251 HG2 GLU 251 -12.851 -5.730 -11.087 977 H SER 252 H SER 252 -9.013 -5.739 -9.392 978 HA SER 252 HA SER 252 -7.141 -7.692 -8.422 979 HB2 SER 252 HB3 SER 252 -8.225 -5.231 -7.032 980 HB3 SER 252 HB2 SER 252 -6.771 -6.129 -6.596 981 HG SER 252 HG SER 252 -6.293 -5.593 -9.016 982 H GLU 253 H GLU 253 -10.481 -7.322 -8.215 983 HA GLU 253 HA GLU 253 -11.025 -8.176 -5.596 984 HB2 GLU 253 HB2 GLU 253 -12.672 -7.116 -7.124 985 HB3 GLU 253 HB3 GLU 253 -12.693 -8.589 -8.082 986 HG2 GLU 253 HG3 GLU 253 -13.569 -9.830 -6.196 987 HG3 GLU 253 HG2 GLU 253 -13.496 -8.382 -5.196 988 H GLU 254 H GLU 254 -10.294 -9.934 -8.540 989 HA GLU 254 HA GLU 254 -11.063 -12.486 -7.501 990 HB2 GLU 254 HB2 GLU 254 -9.331 -11.760 -9.867 991 HB3 GLU 254 HB3 GLU 254 -9.853 -13.391 -9.482 992 HG2 GLU 254 HG3 GLU 254 -11.318 -12.682 -11.135 993 HG3 GLU 254 HG2 GLU 254 -12.226 -12.499 -9.637 994 H GLU 255 H GLU 255 -8.215 -10.541 -7.410 995 HA GLU 255 HA GLU 255 -6.475 -12.678 -6.551 996 HB2 GLU 255 HB2 GLU 255 -6.010 -9.697 -6.427 997 HB3 GLU 255 HB3 GLU 255 -4.789 -10.959 -6.331 998 HG2 GLU 255 HG3 GLU 255 -5.257 -11.601 -8.633 999 HG3 GLU 255 HG2 GLU 255 -6.504 -10.358 -8.732 1000 H SER 256 H SER 256 -8.108 -9.898 -5.147 1001 HA SER 256 HA SER 256 -8.309 -11.280 -2.609 1002 HB2 SER 256 HB3 SER 256 -6.978 -8.576 -2.890 1003 HB3 SER 256 HB2 SER 256 -7.492 -9.277 -1.356 1004 HG SER 256 HG SER 256 -5.965 -10.974 -2.873 1005 H ASP 257 H ASP 257 -10.306 -10.987 -1.818 1006 HA ASP 257 HA ASP 257 -12.248 -10.070 -3.567 1007 HB2 ASP 257 HB2 ASP 257 -12.610 -10.416 -0.587 1008 HB3 ASP 257 HB3 ASP 257 -13.860 -10.513 -1.822 1009 H ASP 258 H ASP 258 -11.768 -8.660 -0.333 1010 HA ASP 258 HA ASP 258 -12.825 -6.122 -1.283 1011 HB2 ASP 258 HB2 ASP 258 -11.913 -6.996 1.467 1012 HB3 ASP 258 HB3 ASP 258 -12.593 -5.415 1.095 1013 H ASP 259 H ASP 259 -9.908 -7.440 0.112 1014 HA ASP 259 HA ASP 259 -8.154 -5.673 -1.252 1015 HB2 ASP 259 HB2 ASP 259 -8.840 -4.020 0.344 1016 HB3 ASP 259 HB3 ASP 259 -8.712 -5.160 1.676 1017 H GLY 260 H GLY 260 -8.666 -7.757 1.554 1018 HA2 GLY 260 HA3 GLY 260 -7.865 -9.899 1.846 1019 HA3 GLY 260 HA2 GLY 260 -6.905 -9.701 0.394 1020 H PHE 261 H PHE 261 -6.028 -7.119 2.080 1021 HA PHE 261 HA PHE 261 -3.706 -8.505 3.168 1022 HB2 PHE 261 HB3 PHE 261 -4.057 -5.582 2.551 1023 HB3 PHE 261 HB2 PHE 261 -2.541 -6.406 2.901 1024 HD1 PHE 261 HD2 PHE 261 -3.386 -8.869 1.115 1025 HD2 PHE 261 HD1 PHE 261 -3.203 -4.668 0.498 1026 HE1 PHE 261 HE2 PHE 261 -3.096 -9.238 -1.293 1027 HE2 PHE 261 HE1 PHE 261 -2.907 -5.035 -1.912 1028 HZ PHE 261 HZ PHE 261 -2.856 -7.318 -2.814 1029 H VAL 262 H VAL 262 -2.647 -7.122 5.024 1030 HA VAL 262 HA VAL 262 -4.627 -5.871 6.771 1031 HB VAL 262 HB VAL 262 -4.455 -8.335 7.349 1032 HG11 VAL 262 HG21 VAL 262 -2.495 -9.050 8.641 1033 HG12 VAL 262 HG22 VAL 262 -1.704 -7.518 8.270 1034 HG13 VAL 262 HG23 VAL 262 -2.085 -8.651 6.972 1035 HG21 VAL 262 HG13 VAL 262 -5.315 -6.695 8.930 1036 HG22 VAL 262 HG11 VAL 262 -3.676 -6.359 9.489 1037 HG23 VAL 262 HG12 VAL 262 -4.393 -7.948 9.761 1038 H GLU 263 H GLU 263 -3.640 -4.528 8.425 1039 HA GLU 263 HA GLU 263 -0.837 -3.847 7.859 1040 HB2 GLU 263 HB2 GLU 263 -2.440 -1.982 7.642 1041 HB3 GLU 263 HB3 GLU 263 -2.944 -2.228 9.309 1042 HG2 GLU 263 HG3 GLU 263 -0.611 -1.739 10.020 1043 HG3 GLU 263 HG2 GLU 263 -0.234 -1.346 8.345 1044 H VAL 264 H VAL 264 0.680 -4.227 9.384 1045 HA VAL 264 HA VAL 264 -0.290 -5.422 11.883 1046 HB VAL 264 HB VAL 264 2.427 -5.768 10.601 1047 HG11 VAL 264 HG21 VAL 264 2.641 -7.645 12.183 1048 HG12 VAL 264 HG22 VAL 264 1.081 -7.217 12.886 1049 HG13 VAL 264 HG23 VAL 264 2.441 -6.102 13.015 1050 HG21 VAL 264 HG13 VAL 264 0.687 -6.735 9.191 1051 HG22 VAL 264 HG11 VAL 264 0.034 -7.613 10.575 1052 HG23 VAL 264 HG12 VAL 264 1.639 -8.006 9.960 1053 H ASP 265 H ASP 265 -0.287 -3.990 13.472 1054 HA ASP 265 HA ASP 265 2.143 -2.395 13.872 1055 HB2 ASP 265 HB2 ASP 265 0.833 -0.583 14.811 1056 HB3 ASP 265 HB3 ASP 265 0.254 -0.935 13.203 Start of MODEL 20 1 H2 PRO 1 H2 PRO 1 16.450 -8.626 0.689 2 H3 PRO 1 H3 PRO 1 14.875 -8.203 0.571 3 HA PRO 1 HA PRO 1 16.641 -7.202 2.214 4 HB2 PRO 1 HB3 PRO 1 16.108 -4.751 0.765 5 HB3 PRO 1 HB2 PRO 1 17.655 -5.389 1.341 6 HG2 PRO 1 HG3 PRO 1 16.989 -5.283 -1.295 7 HG3 PRO 1 HG2 PRO 1 18.076 -6.506 -0.612 8 HD2 PRO 1 HD2 PRO 1 15.153 -6.733 -1.276 9 HD3 PRO 1 HD3 PRO 1 16.467 -7.873 -1.617 10 H SER 2 H SER 2 15.574 -4.894 3.051 11 HA SER 2 HA SER 2 12.709 -5.514 3.226 12 HB2 SER 2 HB3 SER 2 12.799 -4.238 5.378 13 HB3 SER 2 HB2 SER 2 13.817 -5.670 5.372 14 HG SER 2 HG SER 2 15.345 -4.339 5.925 15 H HIS 3 H HIS 3 15.010 -2.867 2.882 16 HA HIS 3 HA HIS 3 12.835 -0.994 2.442 17 HB2 HIS 3 HB3 HIS 3 15.818 -0.747 2.744 18 HB3 HIS 3 HB2 HIS 3 14.915 0.570 2.011 19 HD1 HIS 3 HD1 HIS 3 14.759 -1.466 5.245 20 HD2 HIS 3 HD2 HIS 3 14.095 2.384 3.815 21 HE1 HIS 3 HE1 HIS 3 14.190 -0.079 7.268 22 HE2 HIS 3 HE2 HIS 3 13.664 2.226 6.362 23 H SER 4 H SER 4 13.886 -3.264 0.597 24 HA SER 4 HA SER 4 13.120 -1.942 -1.805 25 HB2 SER 4 HB3 SER 4 15.175 -2.329 -3.097 26 HB3 SER 4 HB2 SER 4 15.447 -1.207 -1.769 27 HG SER 4 HG SER 4 16.614 -2.680 -0.708 28 H GLY 5 H GLY 5 12.623 -3.408 -3.465 29 HA2 GLY 5 HA3 GLY 5 13.254 -6.141 -3.518 30 HA3 GLY 5 HA2 GLY 5 11.745 -5.947 -2.624 31 H ALA 6 H ALA 6 12.296 -7.160 -5.328 32 HA ALA 6 HA ALA 6 11.291 -5.269 -7.235 33 HB1 ALA 6 HB1 ALA 6 11.405 -7.038 -8.845 34 HB2 ALA 6 HB2 ALA 6 11.584 -8.246 -7.569 35 HB3 ALA 6 HB3 ALA 6 12.861 -7.061 -7.851 36 H ALA 7 H ALA 7 9.183 -4.771 -7.546 37 HA ALA 7 HA ALA 7 7.132 -6.746 -6.780 38 HB1 ALA 7 HB1 ALA 7 7.190 -4.984 -5.093 39 HB2 ALA 7 HB2 ALA 7 5.682 -4.926 -6.014 40 HB3 ALA 7 HB3 ALA 7 6.970 -3.766 -6.349 41 H ILE 8 H ILE 8 5.124 -6.543 -7.832 42 HA ILE 8 HA ILE 8 5.294 -5.516 -10.584 43 HB ILE 8 HB ILE 8 3.437 -7.530 -9.277 44 HG12 ILE 8 HG13 ILE 8 4.364 -9.041 -11.091 45 HG13 ILE 8 HG12 ILE 8 5.572 -7.808 -11.395 46 HG21 ILE 8 HG21 ILE 8 3.376 -6.531 -12.113 47 HG22 ILE 8 HG22 ILE 8 2.204 -6.150 -10.853 48 HG23 ILE 8 HG23 ILE 8 2.365 -7.807 -11.435 49 HD11 ILE 8 HD11 ILE 8 5.180 -9.318 -8.826 50 HD12 ILE 8 HD12 ILE 8 6.375 -8.049 -9.093 51 HD13 ILE 8 HD13 ILE 8 6.471 -9.558 -10.002 52 H PHE 9 H PHE 9 4.231 -3.733 -11.087 53 HA PHE 9 HA PHE 9 2.041 -2.904 -9.322 54 HB2 PHE 9 HB3 PHE 9 3.967 -1.484 -8.928 55 HB3 PHE 9 HB2 PHE 9 4.136 -1.181 -10.650 56 HD1 PHE 9 HD1 PHE 9 1.734 -0.718 -7.845 57 HD2 PHE 9 HD2 PHE 9 3.216 0.723 -11.561 58 HE1 PHE 9 HE1 PHE 9 0.363 1.306 -7.604 59 HE2 PHE 9 HE2 PHE 9 1.836 2.745 -11.332 60 HZ PHE 9 HZ PHE 9 0.409 3.040 -9.348 61 H GLU 10 H GLU 10 0.300 -3.415 -10.472 62 HA GLU 10 HA GLU 10 -1.295 -3.405 -12.078 63 HB2 GLU 10 HB2 GLU 10 0.321 -1.208 -13.372 64 HB3 GLU 10 HB3 GLU 10 -1.357 -1.611 -13.711 65 HG2 GLU 10 HG3 GLU 10 -1.897 -1.058 -11.352 66 HG3 GLU 10 HG2 GLU 10 -0.241 -0.486 -11.159 67 H LYS 11 H LYS 11 0.324 -5.364 -12.263 68 HA LYS 11 HA LYS 11 0.572 -7.128 -13.640 69 HB2 LYS 11 HB2 LYS 11 -0.263 -5.372 -15.929 70 HB3 LYS 11 HB3 LYS 11 -0.282 -7.132 -15.872 71 HG2 LYS 11 HG2 LYS 11 -1.898 -5.357 -14.093 72 HG3 LYS 11 HG3 LYS 11 -2.512 -6.116 -15.548 73 HD2 LYS 11 HD2 LYS 11 -2.404 -8.215 -14.601 74 HD3 LYS 11 HD3 LYS 11 -1.286 -7.707 -13.355 75 HE2 LYS 11 HE2 LYS 11 -3.063 -6.318 -12.390 76 HE3 LYS 11 HE3 LYS 11 -4.180 -6.940 -13.601 77 HZ1 LYS 11 HZ1 LYS 11 -3.846 -9.166 -12.712 78 HZ2 LYS 11 HZ2 LYS 11 -4.406 -8.122 -11.505 79 HZ3 LYS 11 HZ3 LYS 11 -2.777 -8.566 -11.547 80 H VAL 12 H VAL 12 2.355 -4.289 -14.005 81 HA VAL 12 HA VAL 12 4.331 -5.685 -15.667 82 HB VAL 12 HB VAL 12 4.178 -3.572 -16.604 83 HG11 VAL 12 HG21 VAL 12 2.696 -2.587 -14.921 84 HG12 VAL 12 HG22 VAL 12 3.989 -1.477 -15.380 85 HG13 VAL 12 HG23 VAL 12 4.078 -2.353 -13.847 86 HG21 VAL 12 HG13 VAL 12 6.494 -4.006 -16.171 87 HG22 VAL 12 HG11 VAL 12 6.346 -3.408 -14.516 88 HG23 VAL 12 HG12 VAL 12 6.199 -2.292 -15.881 89 H SER 13 H SER 13 6.125 -6.490 -14.855 90 HA SER 13 HA SER 13 6.555 -6.407 -12.017 91 HB2 SER 13 HB3 SER 13 6.895 -8.484 -13.342 92 HB3 SER 13 HB2 SER 13 8.238 -7.704 -14.174 93 HG SER 13 HG SER 13 8.323 -9.037 -11.922 94 H GLY 14 H GLY 14 7.944 -5.213 -10.926 95 HA2 GLY 14 HA3 GLY 14 10.137 -3.890 -12.288 96 HA3 GLY 14 HA2 GLY 14 8.924 -2.855 -11.557 97 H ILE 15 H ILE 15 10.542 -2.013 -10.156 98 HA ILE 15 HA ILE 15 11.222 -3.837 -7.984 99 HB ILE 15 HB ILE 15 12.972 -1.567 -8.807 100 HG12 ILE 15 HG13 ILE 15 12.770 -3.233 -10.647 101 HG13 ILE 15 HG12 ILE 15 14.382 -3.076 -10.000 102 HG21 ILE 15 HG21 ILE 15 13.284 -2.342 -6.537 103 HG22 ILE 15 HG22 ILE 15 14.679 -2.774 -7.526 104 HG23 ILE 15 HG23 ILE 15 13.480 -3.996 -7.112 105 HD11 ILE 15 HD11 ILE 15 14.158 -5.145 -8.819 106 HD12 ILE 15 HD12 ILE 15 13.757 -5.374 -10.525 107 HD13 ILE 15 HD13 ILE 15 12.471 -5.272 -9.321 108 H ILE 16 H ILE 16 11.423 -2.902 -5.928 109 HA ILE 16 HA ILE 16 10.104 -0.291 -5.618 110 HB ILE 16 HB ILE 16 9.218 -2.854 -4.688 111 HG12 ILE 16 HG13 ILE 16 8.157 -0.078 -4.164 112 HG13 ILE 16 HG12 ILE 16 7.850 -1.019 -5.618 113 HG21 ILE 16 HG21 ILE 16 8.819 -2.325 -2.312 114 HG22 ILE 16 HG22 ILE 16 9.832 -0.890 -2.475 115 HG23 ILE 16 HG23 ILE 16 10.538 -2.494 -2.678 116 HD11 ILE 16 HD11 ILE 16 7.040 -1.793 -2.827 117 HD12 ILE 16 HD12 ILE 16 6.695 -2.700 -4.298 118 HD13 ILE 16 HD13 ILE 16 5.977 -1.107 -4.055 119 H ALA 17 H ALA 17 11.181 1.109 -4.356 120 HA ALA 17 HA ALA 17 13.100 0.017 -2.429 121 HB1 ALA 17 HB1 ALA 17 14.475 0.571 -4.254 122 HB2 ALA 17 HB2 ALA 17 14.697 1.838 -3.045 123 HB3 ALA 17 HB3 ALA 17 13.692 2.141 -4.468 124 H ILE 18 H ILE 18 12.228 0.586 -0.565 125 HA ILE 18 HA ILE 18 11.107 3.203 -0.091 126 HB ILE 18 HB ILE 18 11.818 1.197 2.031 127 HG12 ILE 18 HG13 ILE 18 9.167 0.854 1.800 128 HG13 ILE 18 HG12 ILE 18 9.546 1.198 0.116 129 HG21 ILE 18 HG21 ILE 18 11.371 3.509 2.746 130 HG22 ILE 18 HG22 ILE 18 10.143 2.380 3.336 131 HG23 ILE 18 HG23 ILE 18 9.786 3.430 1.965 132 HD11 ILE 18 HD11 ILE 18 11.300 -0.597 0.291 133 HD12 ILE 18 HD12 ILE 18 9.620 -1.114 0.324 134 HD13 ILE 18 HD13 ILE 18 10.548 -1.041 1.823 135 H ASN 19 H ASN 19 12.405 4.886 0.357 136 HA ASN 19 HA ASN 19 14.955 4.334 1.723 137 HB2 ASN 19 HB2 ASN 19 15.693 4.939 -0.406 138 HB3 ASN 19 HB3 ASN 19 14.367 6.068 -0.647 139 HD21 ASN 19 HD21 ASN 19 14.539 8.141 0.089 140 HD22 ASN 19 HD22 ASN 19 16.017 8.821 0.686 141 H GLU 20 H GLU 20 14.961 5.219 3.732 142 HA GLU 20 HA GLU 20 13.621 7.837 3.850 143 HB2 GLU 20 HB2 GLU 20 14.753 6.287 6.187 144 HB3 GLU 20 HB3 GLU 20 13.581 7.591 6.220 145 HG2 GLU 20 HG3 GLU 20 11.845 6.241 5.557 146 HG3 GLU 20 HG2 GLU 20 12.922 5.039 4.858 147 H ASP 21 H ASP 21 15.576 8.468 2.527 148 HA ASP 21 HA ASP 21 17.375 9.755 4.462 149 HB2 ASP 21 HB2 ASP 21 18.738 8.560 2.865 150 HB3 ASP 21 HB3 ASP 21 17.783 9.159 1.518 151 H VAL 22 H VAL 22 14.653 9.866 2.803 152 HA VAL 22 HA VAL 22 15.080 12.300 1.239 153 HB VAL 22 HB VAL 22 14.483 10.125 0.188 154 HG11 VAL 22 HG21 VAL 22 12.347 9.107 0.507 155 HG12 VAL 22 HG22 VAL 22 11.828 10.427 1.552 156 HG13 VAL 22 HG23 VAL 22 13.104 9.335 2.083 157 HG21 VAL 22 HG13 VAL 22 13.866 11.954 -1.150 158 HG22 VAL 22 HG11 VAL 22 12.486 12.343 -0.116 159 HG23 VAL 22 HG12 VAL 22 12.455 10.880 -1.108 160 H SER 23 H SER 23 13.034 13.612 0.875 161 HA SER 23 HA SER 23 11.701 14.604 3.120 162 HB2 SER 23 HB3 SER 23 11.768 15.358 0.548 163 HB3 SER 23 HB2 SER 23 10.268 14.437 0.482 164 HG SER 23 HG SER 23 9.443 16.265 1.146 165 HA PRO 24 HA PRO 24 9.229 12.004 5.074 166 HB2 PRO 24 HB3 PRO 24 6.617 11.780 4.075 167 HB3 PRO 24 HB2 PRO 24 7.156 12.922 5.311 168 HG2 PRO 24 HG3 PRO 24 6.887 13.311 2.353 169 HG3 PRO 24 HG2 PRO 24 6.401 14.398 3.662 170 HD2 PRO 24 HD2 PRO 24 8.627 14.917 2.371 171 HD3 PRO 24 HD3 PRO 24 8.675 14.957 4.153 172 H ALA 25 H ALA 25 9.308 9.836 5.093 173 HA ALA 25 HA ALA 25 10.883 8.712 3.320 174 HB1 ALA 25 HB1 ALA 25 8.807 6.911 4.438 175 HB2 ALA 25 HB2 ALA 25 9.993 7.695 5.483 176 HB3 ALA 25 HB3 ALA 25 10.525 6.618 4.186 177 H GLU 26 H GLU 26 10.951 7.633 1.490 178 HA GLU 26 HA GLU 26 8.498 7.653 -0.040 179 HB2 GLU 26 HB2 GLU 26 11.112 8.926 -0.784 180 HB3 GLU 26 HB3 GLU 26 10.073 8.272 -2.048 181 HG2 GLU 26 HG3 GLU 26 8.240 9.696 -1.262 182 HG3 GLU 26 HG2 GLU 26 9.299 10.357 -0.020 183 H LEU 27 H LEU 27 8.057 5.928 -1.117 184 HA LEU 27 HA LEU 27 10.063 3.800 -1.469 185 HB2 LEU 27 HB2 LEU 27 8.048 3.007 -0.456 186 HB3 LEU 27 HB3 LEU 27 7.045 3.926 -1.548 187 HG LEU 27 HG LEU 27 8.713 1.589 -2.491 188 HD11 LEU 27 HD11 LEU 27 7.196 0.884 -0.703 189 HD12 LEU 27 HD12 LEU 27 6.721 0.237 -2.273 190 HD13 LEU 27 HD13 LEU 27 5.849 1.610 -1.584 191 HD21 LEU 27 HD21 LEU 27 6.205 2.840 -3.634 192 HD22 LEU 27 HD22 LEU 27 7.138 1.520 -4.340 193 HD23 LEU 27 HD23 LEU 27 7.837 3.133 -4.231 194 H THR 28 H THR 28 10.548 3.146 -3.575 195 HA THR 28 HA THR 28 9.302 4.766 -5.668 196 HB THR 28 HB THR 28 12.252 4.148 -5.597 197 HG1 THR 28 HG1 THR 28 12.065 5.713 -4.094 198 HG21 THR 28 HG21 THR 28 11.434 4.396 -7.826 199 HG22 THR 28 HG22 THR 28 12.257 5.896 -7.394 200 HG23 THR 28 HG23 THR 28 10.490 5.819 -7.375 201 H TRP 29 H TRP 29 8.165 3.364 -6.802 202 HA TRP 29 HA TRP 29 9.255 0.721 -7.338 203 HB2 TRP 29 HB3 TRP 29 6.829 0.960 -6.968 204 HB3 TRP 29 HB2 TRP 29 6.727 2.008 -8.380 205 HD1 TRP 29 HD1 TRP 29 7.422 -1.673 -7.462 206 HE1 TRP 29 HE1 TRP 29 6.941 -3.136 -9.527 207 HE3 TRP 29 HE3 TRP 29 6.490 2.025 -10.864 208 HZ2 TRP 29 HZ2 TRP 29 6.266 -2.762 -12.235 209 HZ3 TRP 29 HZ3 TRP 29 5.928 1.383 -13.167 210 HH2 TRP 29 HH2 TRP 29 5.819 -0.958 -13.840 211 H ARG 30 H ARG 30 10.824 0.663 -8.681 212 HA ARG 30 HA ARG 30 10.690 2.227 -11.165 213 HB2 ARG 30 HB2 ARG 30 12.566 2.910 -9.816 214 HB3 ARG 30 HB3 ARG 30 13.031 1.238 -9.532 215 HG2 ARG 30 HG2 ARG 30 12.943 2.049 -12.343 216 HG3 ARG 30 HG3 ARG 30 14.173 2.850 -11.364 217 HD2 ARG 30 HD2 ARG 30 15.043 0.721 -10.658 218 HD3 ARG 30 HD3 ARG 30 13.772 -0.140 -11.518 219 HE ARG 30 HE ARG 30 15.304 1.563 -13.236 220 HH11 ARG 30 HH11 ARG 30 15.339 -1.554 -11.644 221 HH12 ARG 30 HH12 ARG 30 16.406 -2.277 -12.803 222 HH21 ARG 30 HH21 ARG 30 16.721 0.620 -14.755 223 HH22 ARG 30 HH22 ARG 30 17.185 -1.040 -14.577 224 H SER 31 H SER 31 10.155 0.982 -12.863 225 HA SER 31 HA SER 31 9.827 -1.774 -12.657 226 HB2 SER 31 HB3 SER 31 9.345 -1.772 -15.028 227 HB3 SER 31 HB2 SER 31 8.630 -0.341 -14.291 228 HG SER 31 HG SER 31 10.029 -0.275 -16.370 229 H THR 32 H THR 32 10.876 -3.480 -13.561 230 HA THR 32 HA THR 32 13.553 -3.694 -12.961 231 HB THR 32 HB THR 32 12.075 -5.420 -14.955 232 HG1 THR 32 HG1 THR 32 12.042 -5.347 -12.111 233 HG21 THR 32 HG21 THR 32 14.480 -5.895 -14.767 234 HG22 THR 32 HG22 THR 32 13.509 -7.206 -14.098 235 HG23 THR 32 HG23 THR 32 14.306 -6.060 -13.020 236 H ASP 33 H ASP 33 12.109 -2.637 -15.965 237 HA ASP 33 HA ASP 33 14.604 -2.845 -17.439 238 HB2 ASP 33 HB2 ASP 33 12.575 -3.317 -18.658 239 HB3 ASP 33 HB3 ASP 33 11.886 -1.763 -18.200 240 H GLY 34 H GLY 34 12.793 -0.469 -15.683 241 HA2 GLY 34 HA3 GLY 34 13.762 1.533 -14.870 242 HA3 GLY 34 HA2 GLY 34 14.900 1.495 -16.208 243 H ASP 35 H ASP 35 11.630 0.860 -16.976 244 HA ASP 35 HA ASP 35 11.540 3.314 -18.518 245 HB2 ASP 35 HB2 ASP 35 10.980 1.317 -19.719 246 HB3 ASP 35 HB3 ASP 35 9.792 0.877 -18.506 247 H LYS 36 H LYS 36 9.903 1.773 -15.849 248 HA LYS 36 HA LYS 36 8.196 4.159 -15.602 249 HB2 LYS 36 HB2 LYS 36 7.568 1.301 -14.856 250 HB3 LYS 36 HB3 LYS 36 6.580 2.684 -14.412 251 HG2 LYS 36 HG2 LYS 36 5.760 2.937 -16.485 252 HG3 LYS 36 HG3 LYS 36 7.241 2.379 -17.256 253 HD2 LYS 36 HD2 LYS 36 6.720 0.117 -16.862 254 HD3 LYS 36 HD3 LYS 36 5.470 0.535 -15.692 255 HE2 LYS 36 HE2 LYS 36 4.468 -0.206 -17.780 256 HE3 LYS 36 HE3 LYS 36 4.122 1.498 -17.504 257 HZ1 LYS 36 HZ1 LYS 36 4.739 1.198 -19.777 258 HZ2 LYS 36 HZ2 LYS 36 6.147 0.369 -19.354 259 HZ3 LYS 36 HZ3 LYS 36 6.007 2.018 -19.010 260 H VAL 37 H VAL 37 7.989 5.095 -13.694 261 HA VAL 37 HA VAL 37 9.264 3.934 -11.330 262 HB VAL 37 HB VAL 37 9.918 6.694 -12.401 263 HG11 VAL 37 HG21 VAL 37 10.681 5.447 -9.764 264 HG12 VAL 37 HG22 VAL 37 9.565 6.794 -9.993 265 HG13 VAL 37 HG23 VAL 37 11.274 6.988 -10.384 266 HG21 VAL 37 HG13 VAL 37 11.232 4.897 -13.411 267 HG22 VAL 37 HG11 VAL 37 11.692 4.324 -11.807 268 HG23 VAL 37 HG12 VAL 37 12.235 5.907 -12.368 269 H HIS 38 H HIS 38 7.749 3.949 -9.825 270 HA HIS 38 HA HIS 38 5.927 6.257 -9.638 271 HB2 HIS 38 HB3 HIS 38 4.888 4.060 -10.398 272 HB3 HIS 38 HB2 HIS 38 5.271 3.457 -8.790 273 HD1 HIS 38 HD1 HIS 38 2.772 5.389 -10.649 274 HD2 HIS 38 HD2 HIS 38 3.854 4.858 -6.675 275 HE1 HIS 38 HE1 HIS 38 0.839 6.256 -9.306 276 HE2 HIS 38 HE2 HIS 38 1.669 6.210 -6.929 277 H THR 39 H THR 39 6.554 7.406 -7.905 278 HA THR 39 HA THR 39 7.791 5.978 -5.680 279 HB THR 39 HB THR 39 7.663 8.961 -6.199 280 HG1 THR 39 HG1 THR 39 10.038 7.505 -6.431 281 HG21 THR 39 HG21 THR 39 9.418 7.373 -4.325 282 HG22 THR 39 HG22 THR 39 7.991 8.287 -3.830 283 HG23 THR 39 HG23 THR 39 9.388 9.128 -4.512 284 H VAL 40 H VAL 40 6.899 5.915 -3.646 285 HA VAL 40 HA VAL 40 4.264 7.192 -3.247 286 HB VAL 40 HB VAL 40 5.480 4.687 -2.096 287 HG11 VAL 40 HG21 VAL 40 4.461 5.772 -0.241 288 HG12 VAL 40 HG22 VAL 40 3.376 4.487 -0.775 289 HG13 VAL 40 HG23 VAL 40 3.032 6.164 -1.191 290 HG21 VAL 40 HG13 VAL 40 4.252 4.725 -4.332 291 HG22 VAL 40 HG11 VAL 40 2.793 5.001 -3.372 292 HG23 VAL 40 HG12 VAL 40 3.747 3.530 -3.130 293 H VAL 41 H VAL 41 4.097 8.738 -1.690 294 HA VAL 41 HA VAL 41 6.288 9.144 0.184 295 HB VAL 41 HB VAL 41 3.787 10.807 -0.203 296 HG11 VAL 41 HG21 VAL 41 4.705 11.089 2.021 297 HG12 VAL 41 HG22 VAL 41 5.054 12.530 1.065 298 HG13 VAL 41 HG23 VAL 41 6.318 11.337 1.360 299 HG21 VAL 41 HG13 VAL 41 5.160 10.849 -2.200 300 HG22 VAL 41 HG11 VAL 41 6.589 11.221 -1.237 301 HG23 VAL 41 HG12 VAL 41 5.278 12.392 -1.357 302 H LEU 42 H LEU 42 6.220 7.896 1.842 303 HA LEU 42 HA LEU 42 4.101 6.451 2.870 304 HB2 LEU 42 HB2 LEU 42 6.715 7.315 4.037 305 HB3 LEU 42 HB3 LEU 42 5.549 6.426 5.004 306 HG LEU 42 HG LEU 42 7.426 5.103 3.864 307 HD11 LEU 42 HD11 LEU 42 5.504 4.102 4.961 308 HD12 LEU 42 HD12 LEU 42 5.906 3.222 3.492 309 HD13 LEU 42 HD13 LEU 42 4.534 4.325 3.503 310 HD21 LEU 42 HD21 LEU 42 7.300 6.039 1.637 311 HD22 LEU 42 HD22 LEU 42 5.618 5.519 1.487 312 HD23 LEU 42 HD23 LEU 42 6.904 4.318 1.592 313 H SER 43 H SER 43 4.995 9.767 3.570 314 HA SER 43 HA SER 43 3.465 9.903 5.984 315 HB2 SER 43 HB3 SER 43 5.324 11.459 5.545 316 HB3 SER 43 HB2 SER 43 4.391 12.170 4.233 317 HG SER 43 HG SER 43 2.799 12.202 6.299 318 H THR 44 H THR 44 2.825 10.489 2.584 319 HA THR 44 HA THR 44 0.176 11.503 3.088 320 HB THR 44 HB THR 44 -0.180 11.353 0.672 321 HG1 THR 44 HG1 THR 44 1.988 9.647 0.830 322 HG21 THR 44 HG21 THR 44 1.578 12.889 -0.061 323 HG22 THR 44 HG22 THR 44 2.538 12.470 1.357 324 HG23 THR 44 HG23 THR 44 0.998 13.306 1.551 325 H ILE 45 H ILE 45 1.648 8.504 3.141 326 HA ILE 45 HA ILE 45 -0.646 6.939 2.422 327 HB ILE 45 HB ILE 45 1.966 6.159 3.704 328 HG12 ILE 45 HG13 ILE 45 2.183 7.028 1.406 329 HG13 ILE 45 HG12 ILE 45 2.568 5.321 1.500 330 HG21 ILE 45 HG21 ILE 45 0.100 4.629 4.225 331 HG22 ILE 45 HG22 ILE 45 1.368 3.885 3.258 332 HG23 ILE 45 HG23 ILE 45 -0.139 4.384 2.495 333 HD11 ILE 45 HD11 ILE 45 0.075 6.577 0.383 334 HD12 ILE 45 HD12 ILE 45 0.241 4.848 0.677 335 HD13 ILE 45 HD13 ILE 45 1.304 5.647 -0.483 336 H ASP 46 H ASP 46 -2.305 6.763 3.708 337 HA ASP 46 HA ASP 46 -2.264 7.182 6.527 338 HB2 ASP 46 HB2 ASP 46 -4.271 7.751 5.507 339 HB3 ASP 46 HB3 ASP 46 -4.292 6.319 4.504 340 H LYS 47 H LYS 47 -2.563 4.336 4.434 341 HA LYS 47 HA LYS 47 -1.985 2.610 6.749 342 HB2 LYS 47 HB2 LYS 47 -4.513 2.851 5.643 343 HB3 LYS 47 HB3 LYS 47 -3.843 1.466 4.790 344 HG2 LYS 47 HG2 LYS 47 -5.055 0.660 6.656 345 HG3 LYS 47 HG3 LYS 47 -3.339 0.437 6.996 346 HD2 LYS 47 HD2 LYS 47 -3.313 2.309 8.457 347 HD3 LYS 47 HD3 LYS 47 -4.932 2.797 7.962 348 HE2 LYS 47 HE2 LYS 47 -5.887 0.839 8.986 349 HE3 LYS 47 HE3 LYS 47 -4.284 0.201 9.350 350 HZ1 LYS 47 HZ1 LYS 47 -3.922 2.066 10.836 351 HZ2 LYS 47 HZ2 LYS 47 -5.293 1.195 11.295 352 HZ3 LYS 47 HZ3 LYS 47 -5.463 2.674 10.494 353 H LEU 48 H LEU 48 -0.417 1.086 6.216 354 HA LEU 48 HA LEU 48 -0.240 0.412 3.368 355 HB2 LEU 48 HB2 LEU 48 1.938 0.894 4.031 356 HB3 LEU 48 HB3 LEU 48 1.722 0.125 5.598 357 HG LEU 48 HG LEU 48 1.557 -2.074 4.386 358 HD11 LEU 48 HD11 LEU 48 1.158 -0.809 2.154 359 HD12 LEU 48 HD12 LEU 48 2.114 -2.291 2.169 360 HD13 LEU 48 HD13 LEU 48 2.920 -0.726 2.117 361 HD21 LEU 48 HD21 LEU 48 4.186 -1.259 3.616 362 HD22 LEU 48 HD22 LEU 48 3.674 -2.332 4.916 363 HD23 LEU 48 HD23 LEU 48 3.748 -0.587 5.185 364 H GLN 49 H GLN 49 -0.466 -1.610 2.718 365 HA GLN 49 HA GLN 49 -1.560 -3.527 4.657 366 HB2 GLN 49 HB2 GLN 49 -2.429 -3.280 1.793 367 HB3 GLN 49 HB3 GLN 49 -3.201 -4.204 3.075 368 HG2 GLN 49 HG2 GLN 49 -3.485 -1.871 4.204 369 HG3 GLN 49 HG3 GLN 49 -3.253 -1.265 2.567 370 HE21 GLN 49 HE21 GLN 49 -4.863 -4.239 3.519 371 HE22 GLN 49 HE22 GLN 49 -6.428 -3.790 2.955 372 H ALA 50 H ALA 50 -1.221 -5.718 4.148 373 HA ALA 50 HA ALA 50 0.511 -6.522 1.997 374 HB1 ALA 50 HB1 ALA 50 2.376 -7.235 3.396 375 HB2 ALA 50 HB2 ALA 50 1.575 -6.592 4.828 376 HB3 ALA 50 HB3 ALA 50 2.130 -5.494 3.561 377 H THR 51 H THR 51 0.300 -8.718 1.659 378 HA THR 51 HA THR 51 -1.888 -10.127 2.689 379 HB THR 51 HB THR 51 -0.797 -12.149 1.724 380 HG1 THR 51 HG1 THR 51 1.405 -11.054 2.164 381 HG21 THR 51 HG21 THR 51 -0.598 -11.207 -0.637 382 HG22 THR 51 HG22 THR 51 -0.970 -9.639 0.090 383 HG23 THR 51 HG23 THR 51 -2.135 -10.962 0.202 384 HA PRO 52 HA PRO 52 -0.466 -11.401 6.704 385 HB2 PRO 52 HB3 PRO 52 -2.626 -12.992 7.179 386 HB3 PRO 52 HB2 PRO 52 -2.677 -11.235 7.319 387 HG2 PRO 52 HG3 PRO 52 -3.531 -12.981 5.049 388 HG3 PRO 52 HG2 PRO 52 -4.370 -11.619 5.779 389 HD2 PRO 52 HD2 PRO 52 -3.008 -11.369 3.498 390 HD3 PRO 52 HD3 PRO 52 -3.045 -10.070 4.692 391 H ALA 53 H ALA 53 -0.022 -13.476 7.789 392 HA ALA 53 HA ALA 53 1.263 -15.372 6.159 393 HB1 ALA 53 HB1 ALA 53 0.243 -15.721 8.977 394 HB2 ALA 53 HB2 ALA 53 1.808 -15.045 8.526 395 HB3 ALA 53 HB3 ALA 53 1.442 -16.733 8.174 396 H SER 54 H SER 54 -2.013 -15.107 7.308 397 HA SER 54 HA SER 54 -2.856 -17.740 6.631 398 HB2 SER 54 HB3 SER 54 -4.015 -16.098 8.206 399 HB3 SER 54 HB2 SER 54 -4.622 -15.294 6.763 400 HG SER 54 HG SER 54 -5.059 -18.002 7.499 401 H SER 55 H SER 55 -2.365 -14.820 4.853 402 HA SER 55 HA SER 55 -3.939 -15.505 2.569 403 HB2 SER 55 HB3 SER 55 -3.207 -13.151 3.037 404 HB3 SER 55 HB2 SER 55 -1.546 -13.648 2.744 405 HG SER 55 HG SER 55 -3.341 -12.857 0.977 406 H GLU 56 H GLU 56 -3.336 -16.569 0.724 407 HA GLU 56 HA GLU 56 -1.033 -18.264 0.841 408 HB2 GLU 56 HB2 GLU 56 -3.278 -18.965 0.005 409 HB3 GLU 56 HB3 GLU 56 -3.037 -17.891 -1.346 410 HG2 GLU 56 HG3 GLU 56 -1.058 -19.140 -1.977 411 HG3 GLU 56 HG2 GLU 56 -1.411 -20.231 -0.654 412 H LYS 57 H LYS 57 -1.774 -15.180 -0.314 413 HA LYS 57 HA LYS 57 0.111 -15.301 -2.547 414 HB2 LYS 57 HB2 LYS 57 -1.476 -12.875 -1.854 415 HB3 LYS 57 HB3 LYS 57 -0.928 -13.419 -3.426 416 HG2 LYS 57 HG2 LYS 57 -3.138 -14.655 -1.815 417 HG3 LYS 57 HG3 LYS 57 -3.348 -13.601 -3.204 418 HD2 LYS 57 HD2 LYS 57 -1.907 -16.226 -3.260 419 HD3 LYS 57 HD3 LYS 57 -3.609 -16.045 -3.667 420 HE2 LYS 57 HE2 LYS 57 -1.310 -14.680 -5.044 421 HE3 LYS 57 HE3 LYS 57 -2.172 -16.087 -5.659 422 HZ1 LYS 57 HZ1 LYS 57 -4.208 -14.739 -5.682 423 HZ2 LYS 57 HZ2 LYS 57 -3.011 -14.102 -6.692 424 HZ3 LYS 57 HZ3 LYS 57 -3.316 -13.385 -5.195 425 H MET 58 H MET 58 1.288 -13.100 -2.830 426 HA MET 58 HA MET 58 2.131 -11.948 -0.263 427 HB2 MET 58 HB3 MET 58 4.237 -11.689 -2.150 428 HB3 MET 58 HB2 MET 58 4.278 -12.488 -0.596 429 HG2 MET 58 HG3 MET 58 5.077 -13.938 -2.368 430 HG3 MET 58 HG2 MET 58 3.631 -14.590 -1.623 431 HE1 MET 58 HE1 MET 58 3.141 -16.280 -3.544 432 HE2 MET 58 HE2 MET 58 4.670 -15.796 -4.280 433 HE3 MET 58 HE3 MET 58 3.203 -15.869 -5.258 434 H MET 59 H MET 59 1.426 -9.890 -0.339 435 HA MET 59 HA MET 59 1.756 -8.298 -2.721 436 HB2 MET 59 HB3 MET 59 -0.236 -9.764 -3.120 437 HB3 MET 59 HB2 MET 59 -1.031 -8.943 -1.803 438 HG2 MET 59 HG3 MET 59 -0.762 -6.814 -3.043 439 HG3 MET 59 HG2 MET 59 -0.112 -7.758 -4.385 440 HE1 MET 59 HE1 MET 59 -2.188 -10.429 -3.654 441 HE2 MET 59 HE2 MET 59 -1.508 -9.993 -5.222 442 HE3 MET 59 HE3 MET 59 -3.252 -10.156 -5.036 443 H LEU 60 H LEU 60 1.829 -6.184 -2.276 444 HA LEU 60 HA LEU 60 1.138 -5.285 0.449 445 HB2 LEU 60 HB2 LEU 60 3.447 -4.918 -1.232 446 HB3 LEU 60 HB3 LEU 60 2.723 -3.364 -0.872 447 HG LEU 60 HG LEU 60 2.750 -4.296 1.598 448 HD11 LEU 60 HD11 LEU 60 5.014 -5.782 0.282 449 HD12 LEU 60 HD12 LEU 60 3.610 -6.496 1.087 450 HD13 LEU 60 HD13 LEU 60 4.797 -5.572 2.022 451 HD21 LEU 60 HD21 LEU 60 5.184 -3.257 0.183 452 HD22 LEU 60 HD22 LEU 60 4.877 -3.196 1.920 453 HD23 LEU 60 HD23 LEU 60 3.854 -2.283 0.809 454 H ARG 61 H ARG 61 0.097 -3.187 0.636 455 HA ARG 61 HA ARG 61 -0.565 -1.747 -1.784 456 HB2 ARG 61 HB2 ARG 61 -2.446 -3.325 -1.588 457 HB3 ARG 61 HB3 ARG 61 -2.794 -2.714 0.015 458 HG2 ARG 61 HG2 ARG 61 -2.966 -0.417 -1.214 459 HG3 ARG 61 HG3 ARG 61 -3.225 -1.436 -2.628 460 HD2 ARG 61 HD2 ARG 61 -4.802 -1.791 -0.098 461 HD3 ARG 61 HD3 ARG 61 -5.280 -0.640 -1.337 462 HE ARG 61 HE ARG 61 -4.917 -3.149 -2.528 463 HH11 ARG 61 HH11 ARG 61 -7.025 -1.561 -0.243 464 HH12 ARG 61 HH12 ARG 61 -8.435 -2.462 -0.696 465 HH21 ARG 61 HH21 ARG 61 -6.796 -4.369 -3.143 466 HH22 ARG 61 HH22 ARG 61 -8.300 -4.059 -2.344 467 H LEU 62 H LEU 62 0.035 0.271 -1.365 468 HA LEU 62 HA LEU 62 -0.008 1.276 1.398 469 HB2 LEU 62 HB2 LEU 62 1.551 1.925 -1.066 470 HB3 LEU 62 HB3 LEU 62 1.319 3.197 0.103 471 HG LEU 62 HG LEU 62 2.385 0.521 0.939 472 HD11 LEU 62 HD11 LEU 62 4.653 1.346 0.725 473 HD12 LEU 62 HD12 LEU 62 4.055 2.853 0.019 474 HD13 LEU 62 HD13 LEU 62 3.853 1.333 -0.854 475 HD21 LEU 62 HD21 LEU 62 2.780 3.277 2.057 476 HD22 LEU 62 HD22 LEU 62 3.317 1.755 2.771 477 HD23 LEU 62 HD23 LEU 62 1.594 2.108 2.635 478 H ILE 63 H ILE 63 -1.816 2.300 1.951 479 HA ILE 63 HA ILE 63 -3.538 3.595 -0.006 480 HB ILE 63 HB ILE 63 -4.085 3.698 2.921 481 HG12 ILE 63 HG13 ILE 63 -3.264 1.410 2.611 482 HG13 ILE 63 HG12 ILE 63 -4.990 1.432 2.961 483 HG21 ILE 63 HG21 ILE 63 -5.932 3.008 0.659 484 HG22 ILE 63 HG22 ILE 63 -5.573 4.662 1.144 485 HG23 ILE 63 HG23 ILE 63 -6.350 3.561 2.279 486 HD11 ILE 63 HD11 ILE 63 -5.476 1.067 0.626 487 HD12 ILE 63 HD12 ILE 63 -4.409 -0.190 1.255 488 HD13 ILE 63 HD13 ILE 63 -3.755 1.102 0.250 489 H GLY 64 H GLY 64 -3.643 5.794 -0.285 490 HA2 GLY 64 HA3 GLY 64 -2.033 7.487 1.436 491 HA3 GLY 64 HA2 GLY 64 -2.903 7.993 0.007 492 H LYS 65 H LYS 65 -2.931 9.509 2.331 493 HA LYS 65 HA LYS 65 -5.398 9.092 3.731 494 HB2 LYS 65 HB2 LYS 65 -3.506 11.417 3.531 495 HB3 LYS 65 HB3 LYS 65 -5.072 11.581 4.308 496 HG2 LYS 65 HG2 LYS 65 -3.571 11.166 6.048 497 HG3 LYS 65 HG3 LYS 65 -4.375 9.635 5.784 498 HD2 LYS 65 HD2 LYS 65 -2.501 8.701 4.780 499 HD3 LYS 65 HD3 LYS 65 -1.776 10.268 4.459 500 HE2 LYS 65 HE2 LYS 65 -2.210 9.172 7.219 501 HE3 LYS 65 HE3 LYS 65 -0.713 8.958 6.320 502 HZ1 LYS 65 HZ1 LYS 65 -0.493 11.375 6.226 503 HZ2 LYS 65 HZ2 LYS 65 -0.541 10.818 7.820 504 HZ3 LYS 65 HZ3 LYS 65 -1.905 11.549 7.144 505 H VAL 66 H VAL 66 -7.380 9.739 3.184 506 HA VAL 66 HA VAL 66 -7.830 10.643 0.513 507 HB VAL 66 HB VAL 66 -9.334 9.044 1.434 508 HG11 VAL 66 HG21 VAL 66 -10.866 9.587 3.301 509 HG12 VAL 66 HG22 VAL 66 -9.978 11.089 3.548 510 HG13 VAL 66 HG23 VAL 66 -9.172 9.540 3.785 511 HG21 VAL 66 HG13 VAL 66 -10.722 11.688 1.091 512 HG22 VAL 66 HG11 VAL 66 -11.514 10.113 1.051 513 HG23 VAL 66 HG12 VAL 66 -10.321 10.531 -0.177 514 H ASP 67 H ASP 67 -8.995 12.471 -0.121 515 HA ASP 67 HA ASP 67 -8.239 14.839 1.354 516 HB2 ASP 67 HB2 ASP 67 -9.050 15.928 -0.804 517 HB3 ASP 67 HB3 ASP 67 -7.626 14.911 -0.920 518 H GLU 68 H GLU 68 -9.794 14.674 3.063 519 HA GLU 68 HA GLU 68 -12.613 14.765 2.405 520 HB2 GLU 68 HB2 GLU 68 -11.849 15.347 5.170 521 HB3 GLU 68 HB3 GLU 68 -13.014 14.206 4.543 522 HG2 GLU 68 HG3 GLU 68 -11.521 12.829 5.478 523 HG3 GLU 68 HG2 GLU 68 -10.874 12.891 3.845 524 H SER 69 H SER 69 -10.077 16.984 3.116 525 HA SER 69 HA SER 69 -11.655 19.120 4.099 526 HB2 SER 69 HB3 SER 69 -9.245 18.942 4.488 527 HB3 SER 69 HB2 SER 69 -8.940 19.210 2.774 528 HG SER 69 HG SER 69 -8.907 21.057 4.429 529 H LYS 70 H LYS 70 -11.099 17.877 0.958 530 HA LYS 70 HA LYS 70 -12.678 20.063 -0.153 531 HB2 LYS 70 HB2 LYS 70 -11.310 19.836 -2.289 532 HB3 LYS 70 HB3 LYS 70 -10.555 20.668 -0.941 533 HG2 LYS 70 HG2 LYS 70 -10.047 17.759 -1.395 534 HG3 LYS 70 HG3 LYS 70 -9.179 18.984 -2.318 535 HD2 LYS 70 HD2 LYS 70 -8.565 20.041 -0.120 536 HD3 LYS 70 HD3 LYS 70 -9.220 18.606 0.662 537 HE2 LYS 70 HE2 LYS 70 -7.638 17.213 -0.598 538 HE3 LYS 70 HE3 LYS 70 -6.958 18.662 -1.330 539 HZ1 LYS 70 HZ1 LYS 70 -6.300 19.414 0.871 540 HZ2 LYS 70 HZ2 LYS 70 -5.627 17.901 0.527 541 HZ3 LYS 70 HZ3 LYS 70 -6.952 18.017 1.570 542 H LYS 71 H LYS 71 -14.163 18.201 0.476 543 HA LYS 71 HA LYS 71 -14.177 15.755 -0.782 544 HB2 LYS 71 HB2 LYS 71 -16.505 17.353 0.247 545 HB3 LYS 71 HB3 LYS 71 -16.595 15.672 -0.235 546 HG2 LYS 71 HG2 LYS 71 -15.041 15.065 1.512 547 HG3 LYS 71 HG3 LYS 71 -14.869 16.762 1.972 548 HD2 LYS 71 HD2 LYS 71 -17.480 15.281 1.971 549 HD3 LYS 71 HD3 LYS 71 -16.459 15.442 3.401 550 HE2 LYS 71 HE2 LYS 71 -17.796 17.631 1.824 551 HE3 LYS 71 HE3 LYS 71 -18.199 17.105 3.455 552 HZ1 LYS 71 HZ1 LYS 71 -15.683 18.436 2.611 553 HZ2 LYS 71 HZ2 LYS 71 -15.983 17.850 4.166 554 HZ3 LYS 71 HZ3 LYS 71 -16.914 19.115 3.548 555 H ARG 72 H ARG 72 -15.168 14.912 -2.504 556 HA ARG 72 HA ARG 72 -15.739 16.649 -4.742 557 HB2 ARG 72 HB2 ARG 72 -15.525 14.772 -6.068 558 HB3 ARG 72 HB3 ARG 72 -14.565 14.265 -4.687 559 HG2 ARG 72 HG2 ARG 72 -16.392 12.963 -3.841 560 HG3 ARG 72 HG3 ARG 72 -17.453 13.553 -5.120 561 HD2 ARG 72 HD2 ARG 72 -14.952 11.917 -5.524 562 HD3 ARG 72 HD3 ARG 72 -16.603 11.307 -5.607 563 HE ARG 72 HE ARG 72 -16.485 13.385 -7.410 564 HH11 ARG 72 HH11 ARG 72 -14.869 10.315 -6.966 565 HH12 ARG 72 HH12 ARG 72 -14.548 10.092 -8.654 566 HH21 ARG 72 HH21 ARG 72 -16.081 13.091 -9.638 567 HH22 ARG 72 HH22 ARG 72 -15.243 11.673 -10.181 568 H LYS 73 H LYS 73 -17.805 15.957 -6.054 569 HA LYS 73 HA LYS 73 -20.026 15.569 -4.193 570 HB2 LYS 73 HB2 LYS 73 -20.388 17.215 -6.621 571 HB3 LYS 73 HB3 LYS 73 -21.342 17.202 -5.157 572 HG2 LYS 73 HG2 LYS 73 -20.276 19.170 -4.847 573 HG3 LYS 73 HG3 LYS 73 -19.048 18.106 -4.151 574 HD2 LYS 73 HD2 LYS 73 -18.169 17.966 -6.572 575 HD3 LYS 73 HD3 LYS 73 -19.103 19.437 -6.827 576 HE2 LYS 73 HE2 LYS 73 -17.903 20.525 -5.007 577 HE3 LYS 73 HE3 LYS 73 -16.981 19.049 -4.730 578 HZ1 LYS 73 HZ1 LYS 73 -16.080 19.264 -6.978 579 HZ2 LYS 73 HZ2 LYS 73 -15.699 20.601 -6.020 580 HZ3 LYS 73 HZ3 LYS 73 -16.920 20.717 -7.183 581 H ASP 74 H ASP 74 -22.034 14.801 -5.310 582 HA ASP 74 HA ASP 74 -21.289 12.824 -7.332 583 HB2 ASP 74 HB2 ASP 74 -22.701 12.431 -5.101 584 HB3 ASP 74 HB3 ASP 74 -24.011 12.909 -6.166 585 H ASN 75 H ASN 75 -24.061 12.563 -8.251 586 HA ASN 75 HA ASN 75 -23.755 14.069 -10.587 587 HB2 ASN 75 HB2 ASN 75 -26.252 12.770 -9.499 588 HB3 ASN 75 HB3 ASN 75 -26.046 13.359 -11.144 589 HD21 ASN 75 HD21 ASN 75 -26.592 10.666 -10.126 590 HD22 ASN 75 HD22 ASN 75 -25.334 9.667 -10.766 591 H GLU 76 H GLU 76 -25.391 14.900 -7.607 592 HA GLU 76 HA GLU 76 -26.800 17.078 -8.949 593 HB2 GLU 76 HB2 GLU 76 -27.042 16.044 -6.121 594 HB3 GLU 76 HB3 GLU 76 -28.044 17.299 -6.845 595 HG2 GLU 76 HG3 GLU 76 -27.835 14.497 -7.876 596 HG3 GLU 76 HG2 GLU 76 -29.106 15.056 -6.787 597 H GLY 77 H GLY 77 -23.896 16.565 -7.761 598 HA2 GLY 77 HA3 GLY 77 -22.194 17.972 -7.046 599 HA3 GLY 77 HA2 GLY 77 -23.324 19.318 -7.214 600 H ASN 78 H ASN 78 -23.740 16.419 -5.262 601 HA ASN 78 HA ASN 78 -24.357 18.105 -3.018 602 HB2 ASN 78 HB2 ASN 78 -25.038 15.950 -1.911 603 HB3 ASN 78 HB3 ASN 78 -25.904 16.340 -3.393 604 HD21 ASN 78 HD21 ASN 78 -25.654 15.064 -5.192 605 HD22 ASN 78 HD22 ASN 78 -24.946 13.497 -5.103 606 H GLU 79 H GLU 79 -22.747 15.009 -2.519 607 HA GLU 79 HA GLU 79 -20.137 15.991 -2.252 608 HB2 GLU 79 HB2 GLU 79 -19.876 15.900 0.214 609 HB3 GLU 79 HB3 GLU 79 -20.885 17.226 -0.340 610 HG2 GLU 79 HG3 GLU 79 -22.863 16.005 0.256 611 HG3 GLU 79 HG2 GLU 79 -21.890 14.638 0.795 612 H VAL 80 H VAL 80 -18.913 14.306 -2.617 613 HA VAL 80 HA VAL 80 -19.558 11.772 -1.236 614 HB VAL 80 HB VAL 80 -17.995 11.766 -3.784 615 HG11 VAL 80 HG21 VAL 80 -17.983 9.764 -2.441 616 HG12 VAL 80 HG22 VAL 80 -18.870 9.475 -3.940 617 HG13 VAL 80 HG23 VAL 80 -19.748 9.725 -2.428 618 HG21 VAL 80 HG13 VAL 80 -20.043 11.281 -5.067 619 HG22 VAL 80 HG11 VAL 80 -20.042 12.916 -4.406 620 HG23 VAL 80 HG12 VAL 80 -21.009 11.657 -3.640 621 H VAL 81 H VAL 81 -17.780 10.697 -0.379 622 HA VAL 81 HA VAL 81 -15.243 12.137 -0.604 623 HB VAL 81 HB VAL 81 -15.931 12.167 1.692 624 HG11 VAL 81 HG21 VAL 81 -17.512 10.323 1.667 625 HG12 VAL 81 HG22 VAL 81 -16.361 10.149 2.991 626 HG13 VAL 81 HG23 VAL 81 -16.185 9.170 1.534 627 HG21 VAL 81 HG13 VAL 81 -13.792 10.081 1.305 628 HG22 VAL 81 HG11 VAL 81 -14.060 11.027 2.769 629 HG23 VAL 81 HG12 VAL 81 -13.557 11.827 1.279 630 HA PRO 82 HA PRO 82 -14.557 8.585 -3.248 631 HB2 PRO 82 HB3 PRO 82 -12.176 9.541 -4.156 632 HB3 PRO 82 HB2 PRO 82 -13.737 9.942 -4.856 633 HG2 PRO 82 HG3 PRO 82 -12.064 11.480 -2.954 634 HG3 PRO 82 HG2 PRO 82 -13.033 12.067 -4.303 635 HD2 PRO 82 HD2 PRO 82 -13.813 12.284 -1.763 636 HD3 PRO 82 HD3 PRO 82 -14.958 12.006 -3.073 637 H LYS 83 H LYS 83 -13.524 6.729 -2.914 638 HA LYS 83 HA LYS 83 -12.200 6.195 -0.538 639 HB2 LYS 83 HB2 LYS 83 -12.096 4.696 -3.160 640 HB3 LYS 83 HB3 LYS 83 -11.497 4.063 -1.632 641 HG2 LYS 83 HG2 LYS 83 -13.735 4.198 -0.687 642 HG3 LYS 83 HG3 LYS 83 -14.344 4.856 -2.206 643 HD2 LYS 83 HD2 LYS 83 -13.081 2.137 -1.854 644 HD3 LYS 83 HD3 LYS 83 -14.811 2.452 -1.978 645 HE2 LYS 83 HE2 LYS 83 -14.418 3.438 -4.221 646 HE3 LYS 83 HE3 LYS 83 -12.723 2.970 -4.091 647 HZ1 LYS 83 HZ1 LYS 83 -13.470 0.650 -3.851 648 HZ2 LYS 83 HZ2 LYS 83 -13.900 1.326 -5.338 649 HZ3 LYS 83 HZ3 LYS 83 -15.063 1.150 -4.125 650 HA PRO 84 HA PRO 84 -8.395 8.251 -0.852 651 HB2 PRO 84 HB3 PRO 84 -7.209 5.990 0.606 652 HB3 PRO 84 HB2 PRO 84 -7.309 7.695 1.045 653 HG2 PRO 84 HG3 PRO 84 -8.833 5.695 2.154 654 HG3 PRO 84 HG2 PRO 84 -9.241 7.414 2.165 655 HD2 PRO 84 HD2 PRO 84 -10.471 5.228 0.676 656 HD3 PRO 84 HD3 PRO 84 -11.068 6.873 0.951 657 H GLN 85 H GLN 85 -6.798 8.300 -2.309 658 HA GLN 85 HA GLN 85 -6.449 6.241 -4.182 659 HB2 GLN 85 HB2 GLN 85 -4.229 7.639 -4.637 660 HB3 GLN 85 HB3 GLN 85 -5.810 8.162 -5.186 661 HG2 GLN 85 HG2 GLN 85 -4.503 9.981 -4.198 662 HG3 GLN 85 HG3 GLN 85 -6.006 9.671 -3.334 663 HE21 GLN 85 HE21 GLN 85 -2.531 9.211 -3.250 664 HE22 GLN 85 HE22 GLN 85 -2.424 8.978 -1.548 665 H ARG 86 H ARG 86 -5.437 4.430 -4.034 666 HA ARG 86 HA ARG 86 -3.279 4.215 -2.087 667 HB2 ARG 86 HB2 ARG 86 -4.170 1.876 -1.599 668 HB3 ARG 86 HB3 ARG 86 -5.068 3.241 -0.963 669 HG2 ARG 86 HG2 ARG 86 -6.558 3.038 -2.988 670 HG3 ARG 86 HG3 ARG 86 -5.811 1.472 -3.263 671 HD2 ARG 86 HD2 ARG 86 -6.515 0.770 -1.068 672 HD3 ARG 86 HD3 ARG 86 -7.208 2.345 -0.745 673 HE ARG 86 HE ARG 86 -8.301 1.081 -3.076 674 HH11 ARG 86 HH11 ARG 86 -8.517 1.328 0.414 675 HH12 ARG 86 HH12 ARG 86 -10.167 0.799 0.474 676 HH21 ARG 86 HH21 ARG 86 -10.484 0.389 -2.992 677 HH22 ARG 86 HH22 ARG 86 -11.284 0.257 -1.456 678 H HIS 87 H HIS 87 -1.737 2.587 -2.451 679 HA HIS 87 HA HIS 87 -1.362 2.136 -5.345 680 HB2 HIS 87 HB3 HIS 87 0.753 2.723 -3.263 681 HB3 HIS 87 HB2 HIS 87 0.989 2.648 -4.998 682 HD1 HIS 87 HD1 HIS 87 -0.758 4.546 -6.267 683 HD2 HIS 87 HD2 HIS 87 0.603 5.262 -2.403 684 HE1 HIS 87 HE1 HIS 87 -1.043 7.016 -5.893 685 HE2 HIS 87 HE2 HIS 87 -0.035 7.451 -3.626 686 H MET 88 H MET 88 -1.394 0.004 -5.786 687 HA MET 88 HA MET 88 -0.633 -1.865 -3.659 688 HB2 MET 88 HB3 MET 88 -2.846 -2.244 -4.564 689 HB3 MET 88 HB2 MET 88 -2.202 -2.309 -6.200 690 HG2 MET 88 HG3 MET 88 -0.899 -4.302 -5.567 691 HG3 MET 88 HG2 MET 88 -1.646 -4.254 -3.976 692 HE1 MET 88 HE1 MET 88 -5.286 -5.158 -4.563 693 HE2 MET 88 HE2 MET 88 -4.796 -3.480 -4.793 694 HE3 MET 88 HE3 MET 88 -4.062 -4.441 -3.508 695 H PHE 89 H PHE 89 1.157 -3.065 -3.775 696 HA PHE 89 HA PHE 89 2.367 -3.440 -6.407 697 HB2 PHE 89 HB3 PHE 89 3.825 -3.027 -3.798 698 HB3 PHE 89 HB2 PHE 89 4.579 -3.366 -5.352 699 HD1 PHE 89 HD1 PHE 89 2.756 -0.892 -3.391 700 HD2 PHE 89 HD2 PHE 89 4.816 -1.661 -7.015 701 HE1 PHE 89 HE1 PHE 89 2.832 1.531 -3.851 702 HE2 PHE 89 HE2 PHE 89 4.886 0.749 -7.494 703 HZ PHE 89 HZ PHE 89 3.895 2.350 -5.910 704 H SER 90 H SER 90 2.510 -5.512 -6.944 705 HA SER 90 HA SER 90 1.899 -7.509 -4.923 706 HB2 SER 90 HB3 SER 90 2.120 -7.760 -7.929 707 HB3 SER 90 HB2 SER 90 1.514 -8.997 -6.840 708 HG SER 90 HG SER 90 -0.343 -8.006 -6.772 709 H PHE 91 H PHE 91 3.348 -8.935 -4.174 710 HA PHE 91 HA PHE 91 6.021 -8.911 -5.407 711 HB2 PHE 91 HB3 PHE 91 5.107 -9.317 -2.583 712 HB3 PHE 91 HB2 PHE 91 6.620 -10.042 -3.118 713 HD1 PHE 91 HD2 PHE 91 8.212 -8.404 -4.417 714 HD2 PHE 91 HD1 PHE 91 5.187 -7.188 -1.694 715 HE1 PHE 91 HE2 PHE 91 9.390 -6.277 -4.069 716 HE2 PHE 91 HE1 PHE 91 6.368 -5.063 -1.339 717 HZ PHE 91 HZ PHE 91 8.465 -4.599 -2.530 718 H ASN 92 H ASN 92 7.239 -11.031 -4.992 719 HA ASN 92 HA ASN 92 5.474 -13.222 -5.865 720 HB2 ASN 92 HB2 ASN 92 8.415 -12.799 -6.448 721 HB3 ASN 92 HB3 ASN 92 7.442 -14.141 -7.031 722 HD21 ASN 92 HD21 ASN 92 5.116 -12.386 -7.566 723 HD22 ASN 92 HD22 ASN 92 5.526 -11.518 -9.000 724 H ASN 93 H ASN 93 7.187 -12.124 -3.283 725 HA ASN 93 HA ASN 93 7.384 -14.829 -2.185 726 HB2 ASN 93 HB2 ASN 93 9.635 -14.042 -3.061 727 HB3 ASN 93 HB3 ASN 93 9.584 -12.780 -1.842 728 HD21 ASN 93 HD21 ASN 93 11.471 -14.968 -2.203 729 HD22 ASN 93 HD22 ASN 93 11.453 -15.863 -0.722 730 H ARG 94 H ARG 94 6.572 -14.994 -0.262 731 HA ARG 94 HA ARG 94 5.196 -12.923 1.017 732 HB2 ARG 94 HB2 ARG 94 4.571 -15.256 1.263 733 HB3 ARG 94 HB3 ARG 94 6.091 -15.604 2.052 734 HG2 ARG 94 HG2 ARG 94 4.302 -15.498 3.664 735 HG3 ARG 94 HG3 ARG 94 5.459 -14.188 3.926 736 HD2 ARG 94 HD2 ARG 94 4.024 -12.639 2.804 737 HD3 ARG 94 HD3 ARG 94 2.892 -13.921 2.404 738 HE ARG 94 HE ARG 94 2.019 -13.777 4.510 739 HH11 ARG 94 HH11 ARG 94 5.117 -12.152 4.475 740 HH12 ARG 94 HH12 ARG 94 4.936 -11.488 6.071 741 HH21 ARG 94 HH21 ARG 94 1.782 -12.914 6.615 742 HH22 ARG 94 HH22 ARG 94 3.024 -11.904 7.275 743 H THR 95 H THR 95 8.479 -14.027 1.353 744 HA THR 95 HA THR 95 8.923 -12.787 3.892 745 HB THR 95 HB THR 95 10.879 -13.810 1.832 746 HG1 THR 95 HG1 THR 95 9.754 -14.908 4.213 747 HG21 THR 95 HG21 THR 95 12.528 -13.747 3.636 748 HG22 THR 95 HG22 THR 95 11.330 -13.024 4.712 749 HG23 THR 95 HG23 THR 95 11.898 -12.134 3.299 750 H VAL 96 H VAL 96 10.150 -12.014 0.628 751 HA VAL 96 HA VAL 96 11.261 -9.559 0.982 752 HB VAL 96 HB VAL 96 9.370 -10.335 -1.263 753 HG11 VAL 96 HG21 VAL 96 9.668 -7.932 -1.217 754 HG12 VAL 96 HG22 VAL 96 10.576 -8.610 -2.573 755 HG13 VAL 96 HG23 VAL 96 11.422 -8.119 -1.105 756 HG21 VAL 96 HG13 VAL 96 11.270 -11.872 -0.989 757 HG22 VAL 96 HG11 VAL 96 12.386 -10.511 -1.094 758 HG23 VAL 96 HG12 VAL 96 11.395 -10.947 -2.486 759 H MET 97 H MET 97 7.824 -10.103 0.237 760 HA MET 97 HA MET 97 7.118 -7.403 0.508 761 HB2 MET 97 HB3 MET 97 4.853 -8.123 0.366 762 HB3 MET 97 HB2 MET 97 5.822 -9.151 -0.684 763 HG2 MET 97 HG3 MET 97 4.960 -10.916 0.282 764 HG3 MET 97 HG2 MET 97 5.691 -10.435 1.814 765 HE1 MET 97 HE1 MET 97 4.381 -10.050 3.831 766 HE2 MET 97 HE2 MET 97 2.857 -9.164 3.897 767 HE3 MET 97 HE3 MET 97 4.313 -8.373 3.291 768 H ASP 98 H ASP 98 7.419 -9.991 2.868 769 HA ASP 98 HA ASP 98 6.042 -8.694 4.996 770 HB2 ASP 98 HB2 ASP 98 6.646 -11.129 4.946 771 HB3 ASP 98 HB3 ASP 98 8.326 -10.672 5.196 772 H ASN 99 H ASN 99 9.240 -8.599 3.713 773 HA ASN 99 HA ASN 99 10.440 -7.128 5.870 774 HB2 ASN 99 HB2 ASN 99 11.333 -7.728 3.033 775 HB3 ASN 99 HB3 ASN 99 12.344 -6.956 4.237 776 HD21 ASN 99 HD21 ASN 99 12.399 -9.579 2.733 777 HD22 ASN 99 HD22 ASN 99 12.691 -10.739 3.979 778 H ILE 100 H ILE 100 9.239 -6.448 2.648 779 HA ILE 100 HA ILE 100 9.796 -3.685 2.532 780 HB ILE 100 HB ILE 100 7.609 -5.343 1.240 781 HG12 ILE 100 HG13 ILE 100 10.007 -5.853 0.679 782 HG13 ILE 100 HG12 ILE 100 9.017 -5.372 -0.693 783 HG21 ILE 100 HG21 ILE 100 8.456 -2.519 0.627 784 HG22 ILE 100 HG22 ILE 100 6.910 -3.018 1.303 785 HG23 ILE 100 HG23 ILE 100 7.347 -3.481 -0.341 786 HD11 ILE 100 HD11 ILE 100 11.003 -3.678 0.788 787 HD12 ILE 100 HD12 ILE 100 9.926 -3.087 -0.477 788 HD13 ILE 100 HD13 ILE 100 11.145 -4.307 -0.854 789 H LYS 101 H LYS 101 6.717 -5.370 3.482 790 HA LYS 101 HA LYS 101 5.294 -3.071 4.006 791 HB2 LYS 101 HB2 LYS 101 3.939 -4.553 5.498 792 HB3 LYS 101 HB3 LYS 101 4.052 -5.053 3.818 793 HG2 LYS 101 HG2 LYS 101 5.239 -6.866 4.361 794 HG3 LYS 101 HG3 LYS 101 6.028 -6.077 5.718 795 HD2 LYS 101 HD2 LYS 101 3.164 -6.421 6.117 796 HD3 LYS 101 HD3 LYS 101 4.025 -7.950 5.912 797 HE2 LYS 101 HE2 LYS 101 4.103 -7.516 8.225 798 HE3 LYS 101 HE3 LYS 101 5.679 -7.061 7.591 799 HZ1 LYS 101 HZ1 LYS 101 4.826 -5.449 9.177 800 HZ2 LYS 101 HZ2 LYS 101 3.498 -5.148 8.176 801 HZ3 LYS 101 HZ3 LYS 101 5.056 -4.766 7.650 802 H MET 102 H MET 102 7.487 -4.956 6.029 803 HA MET 102 HA MET 102 6.697 -3.695 8.470 804 HB2 MET 102 HB3 MET 102 8.374 -4.984 9.534 805 HB3 MET 102 HB2 MET 102 7.759 -6.005 8.246 806 HG2 MET 102 HG3 MET 102 9.975 -6.364 8.007 807 HG3 MET 102 HG2 MET 102 9.772 -5.004 6.912 808 HE1 MET 102 HE1 MET 102 11.606 -4.766 11.131 809 HE2 MET 102 HE2 MET 102 11.052 -6.248 10.350 810 HE3 MET 102 HE3 MET 102 9.884 -5.037 10.872 811 H THR 103 H THR 103 8.955 -3.056 5.952 812 HA THR 103 HA THR 103 10.503 -1.085 7.250 813 HB THR 103 HB THR 103 9.827 -1.601 4.354 814 HG1 THR 103 HG1 THR 103 11.187 -3.150 5.116 815 HG21 THR 103 HG21 THR 103 11.594 -0.070 3.736 816 HG22 THR 103 HG22 THR 103 11.827 0.368 5.432 817 HG23 THR 103 HG23 THR 103 10.309 0.768 4.620 818 H LEU 104 H LEU 104 7.668 -0.920 5.126 819 HA LEU 104 HA LEU 104 7.483 1.903 5.223 820 HB2 LEU 104 HB2 LEU 104 5.351 -0.103 4.490 821 HB3 LEU 104 HB3 LEU 104 5.326 1.595 4.115 822 HG LEU 104 HG LEU 104 7.580 -0.046 3.076 823 HD11 LEU 104 HD11 LEU 104 5.772 -1.433 2.467 824 HD12 LEU 104 HD12 LEU 104 6.198 -0.482 1.044 825 HD13 LEU 104 HD13 LEU 104 4.789 -0.047 2.008 826 HD21 LEU 104 HD21 LEU 104 5.996 2.221 1.935 827 HD22 LEU 104 HD22 LEU 104 7.450 1.508 1.233 828 HD23 LEU 104 HD23 LEU 104 7.546 2.379 2.761 829 H GLN 105 H GLN 105 5.370 -0.592 6.638 830 HA GLN 105 HA GLN 105 3.685 1.094 8.022 831 HB2 GLN 105 HB2 GLN 105 4.577 -1.659 8.864 832 HB3 GLN 105 HB3 GLN 105 3.198 -0.806 9.542 833 HG2 GLN 105 HG2 GLN 105 2.184 -0.729 7.317 834 HG3 GLN 105 HG3 GLN 105 3.558 -1.621 6.685 835 HE21 GLN 105 HE21 GLN 105 0.792 -2.273 6.579 836 HE22 GLN 105 HE22 GLN 105 0.611 -3.808 7.356 837 H GLN 106 H GLN 106 6.980 0.310 8.890 838 HA GLN 106 HA GLN 106 6.734 1.150 11.609 839 HB2 GLN 106 HB2 GLN 106 8.977 0.550 9.765 840 HB3 GLN 106 HB3 GLN 106 9.302 1.392 11.254 841 HG2 GLN 106 HG2 GLN 106 8.209 -0.486 12.473 842 HG3 GLN 106 HG3 GLN 106 8.101 -1.334 10.929 843 HE21 GLN 106 HE21 GLN 106 9.992 -2.028 9.919 844 HE22 GLN 106 HE22 GLN 106 11.480 -2.206 10.788 845 H ILE 107 H ILE 107 7.570 2.555 8.557 846 HA ILE 107 HA ILE 107 8.263 5.162 9.451 847 HB ILE 107 HB ILE 107 7.141 4.201 6.803 848 HG12 ILE 107 HG13 ILE 107 10.009 4.866 7.392 849 HG13 ILE 107 HG12 ILE 107 9.377 3.241 7.609 850 HG21 ILE 107 HG21 ILE 107 8.543 6.776 7.459 851 HG22 ILE 107 HG22 ILE 107 6.818 6.583 7.140 852 HG23 ILE 107 HG23 ILE 107 7.990 6.258 5.870 853 HD11 ILE 107 HD11 ILE 107 8.802 3.160 5.249 854 HD12 ILE 107 HD12 ILE 107 10.511 3.517 5.471 855 HD13 ILE 107 HD13 ILE 107 9.389 4.807 5.039 856 H ILE 108 H ILE 108 5.285 3.596 8.375 857 HA ILE 108 HA ILE 108 3.735 5.962 8.213 858 HB ILE 108 HB ILE 108 2.660 3.198 8.747 859 HG12 ILE 108 HG13 ILE 108 4.116 4.320 6.427 860 HG13 ILE 108 HG12 ILE 108 4.062 2.677 7.018 861 HG21 ILE 108 HG21 ILE 108 1.577 5.576 7.238 862 HG22 ILE 108 HG22 ILE 108 0.988 4.934 8.772 863 HG23 ILE 108 HG23 ILE 108 0.814 3.985 7.296 864 HD11 ILE 108 HD11 ILE 108 2.114 4.088 5.249 865 HD12 ILE 108 HD12 ILE 108 1.728 2.566 6.059 866 HD13 ILE 108 HD13 ILE 108 3.071 2.644 4.914 867 H SER 109 H SER 109 3.856 3.441 10.721 868 HA SER 109 HA SER 109 2.287 4.722 12.641 869 HB2 SER 109 HB3 SER 109 4.660 2.895 13.080 870 HB3 SER 109 HB2 SER 109 3.416 3.273 14.273 871 HG SER 109 HG SER 109 2.921 1.319 13.279 872 H ARG 110 H ARG 110 5.556 5.223 11.639 873 HA ARG 110 HA ARG 110 6.472 6.764 13.813 874 HB2 ARG 110 HB2 ARG 110 8.300 6.201 12.548 875 HB3 ARG 110 HB3 ARG 110 7.354 6.109 11.091 876 HG2 ARG 110 HG2 ARG 110 7.390 8.457 10.836 877 HG3 ARG 110 HG3 ARG 110 8.304 8.648 12.338 878 HD2 ARG 110 HD2 ARG 110 10.092 7.262 11.348 879 HD3 ARG 110 HD3 ARG 110 9.187 7.219 9.843 880 HE ARG 110 HE ARG 110 9.591 9.898 10.684 881 HH11 ARG 110 HH11 ARG 110 11.272 7.192 9.221 882 HH12 ARG 110 HH12 ARG 110 12.427 8.195 8.403 883 HH21 ARG 110 HH21 ARG 110 11.103 11.215 9.607 884 HH22 ARG 110 HH22 ARG 110 12.328 10.488 8.613 885 H TYR 111 H TYR 111 4.748 7.455 10.836 886 HA TYR 111 HA TYR 111 4.981 10.297 11.216 887 HB2 TYR 111 HB3 TYR 111 3.962 8.536 9.051 888 HB3 TYR 111 HB2 TYR 111 3.371 10.191 9.115 889 HD1 TYR 111 HD2 TYR 111 4.980 12.082 8.915 890 HD2 TYR 111 HD1 TYR 111 6.177 8.050 8.380 891 HE1 TYR 111 HE2 TYR 111 7.056 12.849 7.843 892 HE2 TYR 111 HE1 TYR 111 8.259 8.797 7.308 893 HH TYR 111 HH TYR 111 9.343 11.987 7.455 894 H LYS 112 H LYS 112 2.684 7.811 11.882 895 HA LYS 112 HA LYS 112 0.472 9.616 12.280 896 HB2 LYS 112 HB2 LYS 112 0.903 6.759 13.184 897 HB3 LYS 112 HB3 LYS 112 -0.601 7.652 13.382 898 HG2 LYS 112 HG2 LYS 112 -1.206 7.309 11.264 899 HG3 LYS 112 HG3 LYS 112 0.411 7.666 10.650 900 HD2 LYS 112 HD2 LYS 112 -0.095 5.378 10.153 901 HD3 LYS 112 HD3 LYS 112 1.129 5.423 11.408 902 HE2 LYS 112 HE2 LYS 112 -0.440 3.756 11.996 903 HE3 LYS 112 HE3 LYS 112 -0.682 5.113 13.090 904 HZ1 LYS 112 HZ1 LYS 112 -2.335 4.446 10.719 905 HZ2 LYS 112 HZ2 LYS 112 -2.548 5.818 11.680 906 HZ3 LYS 112 HZ3 LYS 112 -2.792 4.280 12.336 907 H ASP 113 H ASP 113 3.079 8.331 14.156 908 HA ASP 113 HA ASP 113 2.219 9.248 16.701 909 HB2 ASP 113 HB2 ASP 113 3.927 7.569 16.587 910 HB3 ASP 113 HB3 ASP 113 4.932 8.577 15.557 911 H ALA 114 H ALA 114 3.384 10.800 13.923 912 HA ALA 114 HA ALA 114 3.807 13.286 15.435 913 HB1 ALA 114 HB1 ALA 114 5.600 13.902 13.908 914 HB2 ALA 114 HB2 ALA 114 5.412 12.372 13.051 915 HB3 ALA 114 HB3 ALA 114 5.966 12.383 14.725 916 H ASP 115 H ASP 115 1.417 12.282 14.070 917 HA ASP 115 HA ASP 115 1.178 14.384 12.019 918 HB2 ASP 115 HB2 ASP 115 0.797 12.027 11.214 919 HB3 ASP 115 HB3 ASP 115 -0.594 11.948 12.287 920 H1 GLY 242 H1 GLY 242 -8.379 -37.205 5.702 921 H2 GLY 242 H2 GLY 242 -6.963 -36.739 6.491 922 H3 GLY 242 H3 GLY 242 -7.165 -38.342 6.000 923 HA2 GLY 242 HA2 GLY 242 -5.668 -37.198 4.509 924 HA3 GLY 242 HA3 GLY 242 -7.148 -37.673 3.689 925 H GLY 243 H GLY 243 -7.334 -36.128 2.159 926 HA2 GLY 243 HA3 GLY 243 -7.447 -33.331 3.116 927 HA3 GLY 243 HA2 GLY 243 -6.837 -33.780 1.530 928 H GLY 244 H GLY 244 -9.584 -35.413 2.868 929 HA2 GLY 244 HA3 GLY 244 -11.256 -34.166 0.792 930 HA3 GLY 244 HA2 GLY 244 -11.557 -35.727 1.544 931 H GLY 245 H GLY 245 -11.127 -32.343 2.571 932 HA2 GLY 245 HA3 GLY 245 -12.696 -31.030 3.712 933 HA3 GLY 245 HA2 GLY 245 -13.690 -32.461 3.951 934 H TYR 246 H TYR 246 -10.274 -31.983 4.725 935 HA TYR 246 HA TYR 246 -10.659 -33.038 7.356 936 HB2 TYR 246 HB3 TYR 246 -8.596 -33.546 6.193 937 HB3 TYR 246 HB2 TYR 246 -8.234 -31.833 6.015 938 HD1 TYR 246 HD1 TYR 246 -8.759 -34.451 8.618 939 HD2 TYR 246 HD2 TYR 246 -6.900 -30.762 7.601 940 HE1 TYR 246 HE1 TYR 246 -7.523 -34.495 10.740 941 HE2 TYR 246 HE2 TYR 246 -5.658 -30.799 9.722 942 HH TYR 246 HH TYR 246 -5.979 -31.824 12.012 943 H ASP 247 H ASP 247 -10.358 -29.902 5.942 944 HA ASP 247 HA ASP 247 -10.371 -28.689 8.616 945 HB2 ASP 247 HB2 ASP 247 -9.507 -27.540 5.956 946 HB3 ASP 247 HB3 ASP 247 -9.626 -26.602 7.442 947 H VAL 248 H VAL 248 -11.980 -27.374 9.227 948 HA VAL 248 HA VAL 248 -14.345 -27.298 7.523 949 HB VAL 248 HB VAL 248 -15.516 -26.422 9.508 950 HG11 VAL 248 HG21 VAL 248 -15.311 -28.435 10.919 951 HG12 VAL 248 HG22 VAL 248 -13.868 -28.894 10.016 952 HG13 VAL 248 HG23 VAL 248 -15.430 -28.814 9.202 953 HG21 VAL 248 HG13 VAL 248 -12.849 -26.700 10.894 954 HG22 VAL 248 HG11 VAL 248 -14.383 -26.298 11.667 955 HG23 VAL 248 HG12 VAL 248 -13.660 -25.181 10.508 956 H GLU 249 H GLU 249 -11.725 -25.598 7.507 957 HA GLU 249 HA GLU 249 -12.908 -22.924 7.665 958 HB2 GLU 249 HB2 GLU 249 -10.806 -23.342 8.888 959 HB3 GLU 249 HB3 GLU 249 -10.022 -23.764 7.373 960 HG2 GLU 249 HG3 GLU 249 -10.516 -21.463 6.560 961 HG3 GLU 249 HG2 GLU 249 -11.106 -21.079 8.177 962 H MET 250 H MET 250 -13.705 -22.129 5.850 963 HA MET 250 HA MET 250 -12.083 -22.187 3.442 964 HB2 MET 250 HB3 MET 250 -13.929 -22.924 2.003 965 HB3 MET 250 HB2 MET 250 -13.499 -24.166 3.170 966 HG2 MET 250 HG3 MET 250 -15.411 -23.581 4.539 967 HG3 MET 250 HG2 MET 250 -15.824 -22.273 3.434 968 HE1 MET 250 HE1 MET 250 -16.039 -26.752 2.329 969 HE2 MET 250 HE2 MET 250 -15.519 -26.148 3.902 970 HE3 MET 250 HE3 MET 250 -14.513 -25.882 2.479 971 H GLU 251 H GLU 251 -13.305 -20.344 5.561 972 HA GLU 251 HA GLU 251 -15.126 -18.669 4.127 973 HB2 GLU 251 HB2 GLU 251 -13.744 -18.523 6.779 974 HB3 GLU 251 HB3 GLU 251 -14.625 -17.146 6.145 975 HG2 GLU 251 HG3 GLU 251 -15.767 -19.878 6.630 976 HG3 GLU 251 HG2 GLU 251 -15.977 -18.474 7.662 977 H SER 252 H SER 252 -14.741 -16.777 3.125 978 HA SER 252 HA SER 252 -12.108 -16.210 2.191 979 HB2 SER 252 HB3 SER 252 -14.561 -14.447 1.998 980 HB3 SER 252 HB2 SER 252 -13.138 -14.408 0.958 981 HG SER 252 HG SER 252 -13.714 -16.587 0.328 982 H GLU 253 H GLU 253 -13.858 -15.363 4.962 983 HA GLU 253 HA GLU 253 -12.861 -12.792 5.508 984 HB2 GLU 253 HB2 GLU 253 -13.678 -14.915 7.498 985 HB3 GLU 253 HB3 GLU 253 -13.617 -13.180 7.781 986 HG2 GLU 253 HG3 GLU 253 -15.457 -14.584 5.856 987 HG3 GLU 253 HG2 GLU 253 -15.900 -13.971 7.447 988 H GLU 254 H GLU 254 -11.620 -16.014 6.182 989 HA GLU 254 HA GLU 254 -9.500 -15.218 7.884 990 HB2 GLU 254 HB2 GLU 254 -9.770 -17.669 6.135 991 HB3 GLU 254 HB3 GLU 254 -8.558 -17.457 7.387 992 HG2 GLU 254 HG3 GLU 254 -11.531 -17.636 7.770 993 HG3 GLU 254 HG2 GLU 254 -10.318 -18.837 8.206 994 H GLU 255 H GLU 255 -9.859 -15.450 4.419 995 HA GLU 255 HA GLU 255 -7.045 -15.022 3.897 996 HB2 GLU 255 HB2 GLU 255 -9.395 -14.951 2.005 997 HB3 GLU 255 HB3 GLU 255 -7.704 -14.988 1.549 998 HG2 GLU 255 HG3 GLU 255 -7.478 -17.214 2.505 999 HG3 GLU 255 HG2 GLU 255 -9.168 -17.172 3.012 1000 H SER 256 H SER 256 -9.745 -13.166 4.594 1001 HA SER 256 HA SER 256 -10.269 -10.972 4.593 1002 HB2 SER 256 HB3 SER 256 -7.988 -10.420 5.248 1003 HB3 SER 256 HB2 SER 256 -7.446 -10.562 3.579 1004 HG SER 256 HG SER 256 -9.400 -8.702 4.470 1005 H ASP 257 H ASP 257 -11.837 -10.715 3.184 1006 HA ASP 257 HA ASP 257 -11.359 -11.182 0.358 1007 HB2 ASP 257 HB2 ASP 257 -13.354 -12.156 1.405 1008 HB3 ASP 257 HB3 ASP 257 -13.924 -10.544 1.829 1009 H ASP 258 H ASP 258 -12.098 -8.524 2.517 1010 HA ASP 258 HA ASP 258 -12.985 -6.675 0.599 1011 HB2 ASP 258 HB2 ASP 258 -11.956 -6.471 3.384 1012 HB3 ASP 258 HB3 ASP 258 -12.024 -4.998 2.424 1013 H ASP 259 H ASP 259 -9.764 -7.600 1.573 1014 HA ASP 259 HA ASP 259 -8.719 -6.111 -0.668 1015 HB2 ASP 259 HB2 ASP 259 -6.924 -5.038 0.756 1016 HB3 ASP 259 HB3 ASP 259 -8.539 -4.358 0.896 1017 H GLY 260 H GLY 260 -7.989 -8.229 2.085 1018 HA2 GLY 260 HA3 GLY 260 -7.061 -10.400 1.654 1019 HA3 GLY 260 HA2 GLY 260 -6.276 -9.736 0.228 1020 H PHE 261 H PHE 261 -6.131 -7.852 3.099 1021 HA PHE 261 HA PHE 261 -3.321 -8.650 3.456 1022 HB2 PHE 261 HB3 PHE 261 -4.341 -5.823 3.493 1023 HB3 PHE 261 HB2 PHE 261 -2.668 -6.351 3.571 1024 HD1 PHE 261 HD2 PHE 261 -1.994 -7.907 1.518 1025 HD2 PHE 261 HD1 PHE 261 -5.056 -4.972 1.513 1026 HE1 PHE 261 HE2 PHE 261 -1.846 -7.755 -0.951 1027 HE2 PHE 261 HE1 PHE 261 -4.932 -4.832 -0.925 1028 HZ PHE 261 HZ PHE 261 -3.211 -6.098 -2.154 1029 H VAL 262 H VAL 262 -2.376 -7.512 5.411 1030 HA VAL 262 HA VAL 262 -4.287 -6.812 7.506 1031 HB VAL 262 HB VAL 262 -3.685 -9.226 7.827 1032 HG11 VAL 262 HG21 VAL 262 -0.907 -8.134 8.237 1033 HG12 VAL 262 HG22 VAL 262 -1.435 -9.204 6.939 1034 HG13 VAL 262 HG23 VAL 262 -1.420 -9.780 8.605 1035 HG21 VAL 262 HG13 VAL 262 -2.701 -7.325 9.953 1036 HG22 VAL 262 HG11 VAL 262 -3.088 -9.028 10.208 1037 HG23 VAL 262 HG12 VAL 262 -4.356 -7.897 9.737 1038 H GLU 263 H GLU 263 -3.422 -5.280 8.981 1039 HA GLU 263 HA GLU 263 -0.850 -4.136 8.152 1040 HB2 GLU 263 HB2 GLU 263 -2.974 -2.711 8.347 1041 HB3 GLU 263 HB3 GLU 263 -2.803 -2.898 10.088 1042 HG2 GLU 263 HG3 GLU 263 -0.428 -1.999 9.759 1043 HG3 GLU 263 HG2 GLU 263 -0.991 -1.496 8.162 1044 H VAL 264 H VAL 264 0.911 -4.492 9.379 1045 HA VAL 264 HA VAL 264 0.477 -5.754 12.003 1046 HB VAL 264 HB VAL 264 2.867 -6.074 10.175 1047 HG11 VAL 264 HG21 VAL 264 3.441 -7.947 11.679 1048 HG12 VAL 264 HG22 VAL 264 2.087 -7.500 12.719 1049 HG13 VAL 264 HG23 VAL 264 3.440 -6.390 12.508 1050 HG21 VAL 264 HG13 VAL 264 0.889 -7.089 9.177 1051 HG22 VAL 264 HG11 VAL 264 0.556 -7.954 10.678 1052 HG23 VAL 264 HG12 VAL 264 2.001 -8.336 9.742 1053 H ASP 265 H ASP 265 0.768 -4.258 13.533 1054 HA ASP 265 HA ASP 265 3.210 -2.628 13.396 1055 HB2 ASP 265 HB2 ASP 265 1.283 -1.184 12.990 1056 HB3 ASP 265 HB3 ASP 265 0.515 -1.765 14.450
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