NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
602653 | 2nat | 25946 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 LYS 1 H LYS 1 1.806 0.000 0.856 2 HA LYS 1 HA LYS 1 1.400 -0.116 -2.059 3 HB2 LYS 1 2HB LYS 1 3.430 1.503 -0.516 4 HB3 LYS 1 3HB LYS 1 3.505 1.247 -2.255 5 HG2 LYS 1 2HG LYS 1 1.435 2.413 -2.576 6 HG3 LYS 1 3HG LYS 1 1.187 2.537 -0.832 7 HD2 LYS 1 2HD LYS 1 2.403 4.399 -0.741 8 HD3 LYS 1 3HD LYS 1 3.758 3.605 -1.546 9 HE2 LYS 1 2HE LYS 1 2.276 3.971 -3.686 10 HE3 LYS 1 3HE LYS 1 1.546 5.237 -2.700 11 HZ1 LYS 1 3HZ LYS 1 4.023 5.883 -2.304 12 HZ2 LYS 1 1HZ LYS 1 3.231 6.373 -3.717 13 HZ3 LYS 1 2HZ LYS 1 4.279 5.045 -3.751 14 H TYR 2 H TYR 2 1.720 -2.384 -0.467 15 HA TYR 2 HA TYR 2 4.467 -3.226 -1.121 16 HB2 TYR 2 2HB TYR 2 3.732 -3.215 1.334 17 HB3 TYR 2 3HB TYR 2 2.694 -4.572 0.911 18 HD1 TYR 2 HD1 TYR 2 5.939 -3.598 1.963 19 HD2 TYR 2 HD2 TYR 2 3.853 -6.606 -0.206 20 HE1 TYR 2 HE1 TYR 2 7.829 -5.136 2.290 21 HE2 TYR 2 HE2 TYR 2 5.737 -8.153 0.116 22 HH TYR 2 HH TYR 2 8.162 -7.660 2.339 23 H GLU 3 H GLU 3 1.092 -3.831 -1.534 24 HA GLU 3 HA GLU 3 0.861 -6.437 -2.236 25 HB2 GLU 3 2HB GLU 3 -0.400 -3.944 -3.232 26 HB3 GLU 3 3HB GLU 3 -0.619 -5.383 -4.218 27 HG2 GLU 3 2HG GLU 3 -1.151 -5.529 -1.292 28 HG3 GLU 3 3HG GLU 3 -2.335 -4.769 -2.353 29 H ILE 4 H ILE 4 1.160 -4.142 -4.914 30 HA ILE 4 HA ILE 4 3.262 -5.828 -6.085 31 HB ILE 4 HB ILE 4 1.055 -6.423 -7.079 32 HG12 ILE 4 2HG1 ILE 4 3.220 -5.191 -8.768 33 HG13 ILE 4 3HG1 ILE 4 2.920 -6.894 -8.442 34 HG21 ILE 4 1HG2 ILE 4 0.348 -3.899 -6.902 35 HG22 ILE 4 2HG2 ILE 4 1.030 -3.822 -8.526 36 HG23 ILE 4 3HG2 ILE 4 -0.295 -4.932 -8.178 37 HD11 ILE 4 3HD1 ILE 4 0.684 -6.448 -9.698 38 HD12 ILE 4 1HD1 ILE 4 1.556 -5.060 -10.348 39 HD13 ILE 4 2HD1 ILE 4 2.180 -6.690 -10.600 40 H THR 5 H THR 5 1.686 -2.719 -5.841 41 HA THR 5 HA THR 5 2.896 -1.154 -7.690 42 HB THR 5 HB THR 5 1.318 -0.373 -5.891 43 HG1 THR 5 HG1 THR 5 2.026 1.348 -6.945 44 HG21 THR 5 3HG2 THR 5 3.856 -0.115 -4.274 45 HG22 THR 5 1HG2 THR 5 2.574 -1.288 -3.972 46 HG23 THR 5 2HG2 THR 5 2.250 0.437 -3.798 47 H THR 6 H THR 6 4.388 -2.506 -4.814 48 HA THR 6 HA THR 6 6.976 -1.419 -5.718 49 HB THR 6 HB THR 6 5.934 -0.674 -3.408 50 HG1 THR 6 HG1 THR 6 8.036 -0.122 -4.185 51 HG21 THR 6 3HG2 THR 6 6.561 -2.044 -1.552 52 HG22 THR 6 1HG2 THR 6 7.408 -3.179 -2.602 53 HG23 THR 6 2HG2 THR 6 5.649 -3.058 -2.671 54 H ILE 7 H ILE 7 5.151 -4.191 -4.783 55 HA ILE 7 HA ILE 7 7.079 -6.017 -4.039 56 HB ILE 7 HB ILE 7 4.405 -6.173 -4.606 57 HG12 ILE 7 2HG1 ILE 7 4.594 -8.514 -3.888 58 HG13 ILE 7 3HG1 ILE 7 6.323 -8.482 -4.217 59 HG21 ILE 7 1HG2 ILE 7 4.884 -6.490 -6.995 60 HG22 ILE 7 2HG2 ILE 7 5.829 -7.925 -6.603 61 HG23 ILE 7 3HG2 ILE 7 4.095 -7.898 -6.284 62 HD11 ILE 7 3HD1 ILE 7 6.672 -7.815 -2.143 63 HD12 ILE 7 1HD1 ILE 7 5.776 -6.334 -2.480 64 HD13 ILE 7 2HD1 ILE 7 4.935 -7.750 -1.847 65 H HIS 8 H HIS 8 6.174 -4.966 -7.286 66 HA HIS 8 HA HIS 8 7.528 -6.796 -8.836 67 HB2 HIS 8 2HB HIS 8 7.561 -5.141 -10.580 68 HB3 HIS 8 3HB HIS 8 6.065 -4.941 -9.673 69 HD1 HIS 8 HD1 HIS 8 7.485 -3.313 -7.305 70 HD2 HIS 8 HD2 HIS 8 7.684 -2.482 -11.371 71 HE1 HIS 8 HE1 HIS 8 8.043 -0.866 -7.465 72 H ASN 9 H ASN 9 8.816 -4.313 -6.802 73 HA ASN 9 HA ASN 9 11.442 -4.356 -8.009 74 HB2 ASN 9 2HB ASN 9 10.286 -2.377 -6.778 75 HB3 ASN 9 3HB ASN 9 10.833 -3.183 -5.310 76 HD21 ASN 9 2HD2 ASN 9 13.899 -1.641 -5.494 77 HD22 ASN 9 1HD2 ASN 9 12.558 -2.203 -4.561 78 H LEU 10 H LEU 10 9.824 -5.763 -5.229 79 HA LEU 10 HA LEU 10 12.266 -6.893 -4.169 80 HB2 LEU 10 2HB LEU 10 10.955 -6.578 -2.376 81 HB3 LEU 10 3HB LEU 10 9.472 -6.643 -3.326 82 HG LEU 10 HG LEU 10 10.933 -9.182 -2.765 83 HD11 LEU 10 1HD1 LEU 10 10.528 -9.227 -0.577 84 HD12 LEU 10 2HD1 LEU 10 8.905 -8.570 -0.782 85 HD13 LEU 10 3HD1 LEU 10 10.290 -7.483 -0.687 86 HD21 LEU 10 3HD2 LEU 10 8.289 -8.305 -3.657 87 HD22 LEU 10 1HD2 LEU 10 8.253 -9.579 -2.438 88 HD23 LEU 10 2HD2 LEU 10 9.140 -9.824 -3.942 89 H PHE 11 H PHE 11 9.737 -7.820 -6.327 90 HA PHE 11 HA PHE 11 9.586 -10.526 -6.194 91 HB2 PHE 11 2HB PHE 11 9.509 -8.589 -8.445 92 HB3 PHE 11 3HB PHE 11 9.681 -10.289 -8.867 93 HD1 PHE 11 HD1 PHE 11 8.042 -11.029 -6.215 94 HD2 PHE 11 HD2 PHE 11 7.349 -8.593 -9.636 95 HE1 PHE 11 HE1 PHE 11 5.617 -11.342 -5.942 96 HE2 PHE 11 HE2 PHE 11 4.923 -8.901 -9.368 97 HZ PHE 11 HZ PHE 11 4.053 -10.276 -7.519 98 H ARG 12 H ARG 12 11.005 -12.129 -6.178 99 HA ARG 12 HA ARG 12 13.732 -11.892 -6.362 100 HB2 ARG 12 2HB ARG 12 13.351 -13.953 -5.549 101 HB3 ARG 12 3HB ARG 12 11.812 -14.092 -6.387 102 HG2 ARG 12 2HG ARG 12 12.836 -14.905 -8.347 103 HG3 ARG 12 3HG ARG 12 14.445 -14.446 -7.785 104 HD2 ARG 12 2HD ARG 12 13.469 -16.122 -5.798 105 HD3 ARG 12 3HD ARG 12 12.930 -16.869 -7.302 106 HE ARG 12 HE ARG 12 15.508 -16.371 -7.827 107 HH11 ARG 12 1HH1 ARG 12 13.944 -17.846 -5.089 108 HH12 ARG 12 2HH1 ARG 12 15.285 -18.877 -4.714 109 HH21 ARG 12 2HH2 ARG 12 17.183 -18.805 -5.996 110 HH22 ARG 12 1HH2 ARG 12 17.280 -17.723 -7.343 111 H LYS 13 H LYS 13 11.620 -13.182 -8.934 112 HA LYS 13 HA LYS 13 13.747 -12.601 -10.875 113 HB2 LYS 13 2HB LYS 13 13.065 -14.889 -10.968 114 HB3 LYS 13 3HB LYS 13 11.363 -14.447 -10.979 115 HG2 LYS 13 2HG LYS 13 12.453 -15.193 -13.177 116 HG3 LYS 13 3HG LYS 13 11.423 -13.760 -13.194 117 HD2 LYS 13 2HD LYS 13 13.207 -12.319 -13.450 118 HD3 LYS 13 3HD LYS 13 14.358 -13.451 -12.738 119 HE2 LYS 13 2HE LYS 13 14.409 -14.775 -14.701 120 HE3 LYS 13 3HE LYS 13 13.004 -13.951 -15.377 121 HZ1 LYS 13 3HZ LYS 13 15.423 -13.351 -16.135 122 HZ2 LYS 13 1HZ LYS 13 15.384 -12.357 -14.767 123 HZ3 LYS 13 2HZ LYS 13 14.236 -12.154 -15.992 124 H LEU 14 H LEU 14 10.336 -12.951 -11.619 125 HA LEU 14 HA LEU 14 10.285 -10.135 -12.486 126 HB2 LEU 14 2HB LEU 14 10.368 -11.416 -14.461 127 HB3 LEU 14 3HB LEU 14 9.221 -12.599 -13.834 128 HG LEU 14 HG LEU 14 7.810 -10.196 -13.875 129 HD11 LEU 14 1HD1 LEU 14 8.403 -8.954 -15.629 130 HD12 LEU 14 2HD1 LEU 14 8.675 -10.366 -16.649 131 HD13 LEU 14 3HD1 LEU 14 9.945 -9.807 -15.560 132 HD21 LEU 14 3HD2 LEU 14 7.870 -12.640 -15.613 133 HD22 LEU 14 1HD2 LEU 14 6.725 -11.330 -15.903 134 HD23 LEU 14 2HD2 LEU 14 6.706 -12.193 -14.364 135 H THR 15 H THR 15 7.621 -12.391 -12.714 136 HA THR 15 HA THR 15 6.287 -11.039 -10.465 137 HB THR 15 HB THR 15 5.270 -11.423 -13.258 138 HG1 THR 15 HG1 THR 15 4.872 -9.288 -13.072 139 HG21 THR 15 3HG2 THR 15 3.338 -10.779 -11.085 140 HG22 THR 15 1HG2 THR 15 3.765 -12.468 -11.353 141 HG23 THR 15 2HG2 THR 15 3.057 -11.520 -12.660 142 H HIS 16 H HIS 16 5.782 -13.718 -12.772 143 HA HIS 16 HA HIS 16 5.158 -15.449 -10.473 144 HB2 HIS 16 2HB HIS 16 3.605 -16.643 -12.195 145 HB3 HIS 16 3HB HIS 16 3.038 -15.182 -11.391 146 HD1 HIS 16 HD1 HIS 16 5.219 -15.572 -14.487 147 HD2 HIS 16 HD2 HIS 16 1.625 -13.870 -13.285 148 HE1 HIS 16 HE1 HIS 16 4.360 -14.326 -16.496 149 H ARG 17 H ARG 17 7.450 -14.893 -12.558 150 HA ARG 17 HA ARG 17 7.954 -17.006 -14.190 151 HB2 ARG 17 2HB ARG 17 9.543 -15.026 -12.823 152 HB3 ARG 17 3HB ARG 17 10.404 -16.558 -12.880 153 HG2 ARG 17 2HG ARG 17 10.894 -15.052 -14.785 154 HG3 ARG 17 3HG ARG 17 10.257 -16.626 -15.266 155 HD2 ARG 17 2HD ARG 17 8.192 -14.606 -14.836 156 HD3 ARG 17 3HD ARG 17 9.326 -14.192 -16.121 157 HE ARG 17 HE ARG 17 7.344 -16.267 -16.164 158 HH11 ARG 17 1HH1 ARG 17 10.398 -15.213 -17.460 159 HH12 ARG 17 2HH1 ARG 17 10.243 -16.131 -18.921 160 HH21 ARG 17 2HH2 ARG 17 8.382 -17.420 -19.275 161 HH22 ARG 17 1HH2 ARG 17 7.128 -17.481 -18.083 162 H LEU 18 H LEU 18 9.657 -16.983 -11.085 163 HA LEU 18 HA LEU 18 8.925 -19.815 -10.738 164 HB2 LEU 18 2HB LEU 18 11.146 -20.265 -9.888 165 HB3 LEU 18 3HB LEU 18 11.228 -19.616 -11.525 166 HG LEU 18 HG LEU 18 11.581 -17.765 -9.210 167 HD11 LEU 18 1HD1 LEU 18 13.442 -19.921 -10.043 168 HD12 LEU 18 2HD1 LEU 18 13.180 -19.199 -8.456 169 HD13 LEU 18 3HD1 LEU 18 14.123 -18.337 -9.672 170 HD21 LEU 18 3HD2 LEU 18 13.278 -16.875 -10.950 171 HD22 LEU 18 1HD2 LEU 18 11.554 -16.618 -11.222 172 HD23 LEU 18 2HD2 LEU 18 12.401 -17.903 -12.084 173 H PHE 19 H PHE 19 7.358 -18.016 -9.544 174 HA PHE 19 HA PHE 19 8.340 -17.620 -6.818 175 HB2 PHE 19 2HB PHE 19 5.760 -16.676 -8.084 176 HB3 PHE 19 3HB PHE 19 6.374 -16.207 -6.502 177 HD1 PHE 19 HD1 PHE 19 7.169 -16.079 -10.125 178 HD2 PHE 19 HD2 PHE 19 7.765 -14.358 -6.278 179 HE1 PHE 19 HE1 PHE 19 8.371 -14.196 -11.158 180 HE2 PHE 19 HE2 PHE 19 8.966 -12.472 -7.304 181 HZ PHE 19 HZ PHE 19 9.270 -12.389 -9.747 182 H ARG 20 H ARG 20 7.367 -20.207 -8.174 183 HA ARG 20 HA ARG 20 5.531 -20.981 -6.006 184 HB2 ARG 20 2HB ARG 20 4.481 -22.579 -7.622 185 HB3 ARG 20 3HB ARG 20 4.199 -20.884 -7.996 186 HG2 ARG 20 2HG ARG 20 5.089 -21.125 -10.007 187 HG3 ARG 20 3HG ARG 20 6.570 -21.798 -9.324 188 HD2 ARG 20 2HD ARG 20 5.930 -23.625 -10.490 189 HD3 ARG 20 3HD ARG 20 4.949 -23.917 -9.054 190 HE ARG 20 HE ARG 20 3.087 -23.587 -10.327 191 HH11 ARG 20 1HH1 ARG 20 5.813 -22.153 -11.950 192 HH12 ARG 20 2HH1 ARG 20 4.918 -21.752 -13.378 193 HH21 ARG 20 2HH2 ARG 20 2.691 -22.269 -13.520 194 HH22 ARG 20 1HH2 ARG 20 1.898 -23.063 -12.202 195 H ARG 21 H ARG 21 8.532 -21.340 -7.203 196 HA ARG 21 HA ARG 21 8.856 -24.179 -7.099 197 HB2 ARG 21 2HB ARG 21 10.642 -21.822 -7.394 198 HB3 ARG 21 3HB ARG 21 11.370 -23.310 -6.804 199 HG2 ARG 21 2HG ARG 21 10.611 -24.495 -8.780 200 HG3 ARG 21 3HG ARG 21 9.809 -23.035 -9.364 201 HD2 ARG 21 2HD ARG 21 11.707 -22.229 -10.209 202 HD3 ARG 21 3HD ARG 21 12.585 -22.543 -8.712 203 HE ARG 21 HE ARG 21 12.597 -24.143 -11.080 204 HH11 ARG 21 1HH1 ARG 21 12.908 -24.236 -7.614 205 HH12 ARG 21 2HH1 ARG 21 13.866 -25.679 -7.608 206 HH21 ARG 21 2HH2 ARG 21 14.407 -26.706 -9.583 207 HH22 ARG 21 1HH2 ARG 21 13.858 -26.043 -11.086 208 H ASN 22 H ASN 22 9.995 -21.561 -4.956 209 HA ASN 22 HA ASN 22 9.925 -23.494 -2.733 210 HB2 ASN 22 2HB ASN 22 12.090 -21.822 -3.686 211 HB3 ASN 22 3HB ASN 22 11.704 -21.457 -2.006 212 HD21 ASN 22 2HD2 ASN 22 13.377 -24.206 -0.800 213 HD22 ASN 22 1HD2 ASN 22 12.728 -22.622 -0.562 214 H PHE 23 H PHE 23 9.888 -20.004 -3.454 215 HA PHE 23 HA PHE 23 8.239 -19.573 -1.069 216 HB2 PHE 23 2HB PHE 23 8.755 -17.183 -1.385 217 HB3 PHE 23 3HB PHE 23 10.218 -18.155 -1.264 218 HD1 PHE 23 HD1 PHE 23 8.503 -15.698 -3.132 219 HD2 PHE 23 HD2 PHE 23 11.289 -18.894 -3.503 220 HE1 PHE 23 HE1 PHE 23 9.298 -14.754 -5.261 221 HE2 PHE 23 HE2 PHE 23 12.089 -17.955 -5.632 222 HZ PHE 23 HZ PHE 23 11.094 -15.882 -6.513 223 H GLY 24 H GLY 24 6.190 -20.133 -1.683 224 HA2 GLY 24 2HA GLY 24 4.940 -19.784 -4.106 225 HA3 GLY 24 3HA GLY 24 4.100 -19.752 -2.563 226 H TYR 25 H TYR 25 3.575 -17.778 -1.614 227 HA TYR 25 HA TYR 25 4.112 -15.379 -3.225 228 HB2 TYR 25 2HB TYR 25 1.646 -16.652 -3.143 229 HB3 TYR 25 3HB TYR 25 1.477 -15.343 -1.979 230 HD1 TYR 25 HD1 TYR 25 2.641 -15.978 -5.468 231 HD2 TYR 25 HD2 TYR 25 0.889 -13.231 -2.732 232 HE1 TYR 25 HE1 TYR 25 2.255 -14.396 -7.312 233 HE2 TYR 25 HE2 TYR 25 0.498 -11.642 -4.568 234 HH TYR 25 HH TYR 25 1.542 -12.372 -7.883 235 H THR 26 H THR 26 5.508 -14.427 -1.826 236 HA THR 26 HA THR 26 4.955 -14.316 1.009 237 HB THR 26 HB THR 26 7.287 -14.376 -0.259 238 HG1 THR 26 HG1 THR 26 8.060 -13.116 1.720 239 HG21 THR 26 3HG2 THR 26 7.168 -11.448 0.326 240 HG22 THR 26 1HG2 THR 26 6.611 -12.041 -1.238 241 HG23 THR 26 2HG2 THR 26 8.271 -12.339 -0.722 242 H LEU 27 H LEU 27 4.013 -12.543 -1.678 243 HA LEU 27 HA LEU 27 4.017 -9.916 -0.598 244 HB2 LEU 27 2HB LEU 27 1.937 -10.583 -2.566 245 HB3 LEU 27 3HB LEU 27 3.125 -9.282 -2.567 246 HG LEU 27 HG LEU 27 3.554 -12.136 -3.441 247 HD11 LEU 27 1HD1 LEU 27 4.130 -9.857 -5.210 248 HD12 LEU 27 2HD1 LEU 27 2.427 -10.129 -4.844 249 HD13 LEU 27 3HD1 LEU 27 3.390 -11.418 -5.566 250 HD21 LEU 27 3HD2 LEU 27 5.431 -10.232 -2.423 251 HD22 LEU 27 1HD2 LEU 27 5.740 -10.507 -4.138 252 HD23 LEU 27 2HD2 LEU 27 5.715 -11.869 -3.017 253 H ARG 28 H ARG 28 1.867 -12.634 -0.341 254 HA ARG 28 HA ARG 28 -0.508 -11.392 0.393 255 HB2 ARG 28 2HB ARG 28 -1.144 -13.476 1.399 256 HB3 ARG 28 3HB ARG 28 -0.198 -13.834 -0.040 257 HG2 ARG 28 2HG ARG 28 1.795 -13.982 1.605 258 HG3 ARG 28 3HG ARG 28 0.542 -14.157 2.835 259 HD2 ARG 28 2HD ARG 28 0.579 -15.856 0.359 260 HD3 ARG 28 3HD ARG 28 1.509 -16.289 1.793 261 HE ARG 28 HE ARG 28 -1.100 -15.795 2.615 262 HH11 ARG 28 1HH1 ARG 28 0.608 -18.047 0.583 263 HH12 ARG 28 2HH1 ARG 28 -0.510 -19.343 0.857 264 HH21 ARG 28 2HH2 ARG 28 -2.322 -19.026 2.221 265 HH22 ARG 28 1HH2 ARG 28 -2.578 -17.493 2.983 Start of MODEL 2 1 H1 LYS 1 H LYS 1 1.542 0.597 0.728 2 HA LYS 1 HA LYS 1 1.438 -0.188 -1.997 3 HB2 LYS 1 2HB LYS 1 3.544 1.325 -0.444 4 HB3 LYS 1 3HB LYS 1 3.559 1.126 -2.191 5 HG2 LYS 1 2HG LYS 1 1.279 2.223 -2.201 6 HG3 LYS 1 3HG LYS 1 1.584 2.643 -0.514 7 HD2 LYS 1 2HD LYS 1 3.895 3.454 -1.718 8 HD3 LYS 1 3HD LYS 1 2.700 3.782 -2.976 9 HE2 LYS 1 2HE LYS 1 1.373 5.070 -1.370 10 HE3 LYS 1 3HE LYS 1 2.569 4.742 -0.117 11 HZ1 LYS 1 3HZ LYS 1 4.213 5.851 -1.657 12 HZ2 LYS 1 1HZ LYS 1 3.065 6.865 -0.936 13 HZ3 LYS 1 2HZ LYS 1 2.884 6.396 -2.551 14 H TYR 2 H TYR 2 1.663 -2.508 -0.518 15 HA TYR 2 HA TYR 2 4.399 -3.413 -1.136 16 HB2 TYR 2 2HB TYR 2 3.604 -3.462 1.303 17 HB3 TYR 2 3HB TYR 2 2.545 -4.778 0.808 18 HD1 TYR 2 HD1 TYR 2 3.684 -6.797 -0.358 19 HD2 TYR 2 HD2 TYR 2 5.783 -3.923 1.974 20 HE1 TYR 2 HE1 TYR 2 5.523 -8.400 -0.049 21 HE2 TYR 2 HE2 TYR 2 7.628 -5.518 2.289 22 HH TYR 2 HH TYR 2 7.385 -8.742 1.744 23 H GLU 3 H GLU 3 1.016 -3.891 -1.641 24 HA GLU 3 HA GLU 3 0.716 -6.462 -2.438 25 HB2 GLU 3 2HB GLU 3 -0.351 -3.953 -3.725 26 HB3 GLU 3 3HB GLU 3 -0.853 -5.561 -4.229 27 HG2 GLU 3 2HG GLU 3 -1.870 -6.010 -2.161 28 HG3 GLU 3 3HG GLU 3 -1.079 -4.640 -1.384 29 H ILE 4 H ILE 4 1.151 -4.089 -5.028 30 HA ILE 4 HA ILE 4 3.221 -5.806 -6.211 31 HB ILE 4 HB ILE 4 1.018 -6.289 -7.273 32 HG12 ILE 4 2HG1 ILE 4 3.261 -5.074 -8.871 33 HG13 ILE 4 3HG1 ILE 4 2.899 -6.776 -8.609 34 HG21 ILE 4 1HG2 ILE 4 0.430 -3.722 -7.030 35 HG22 ILE 4 2HG2 ILE 4 1.098 -3.665 -8.660 36 HG23 ILE 4 3HG2 ILE 4 -0.272 -4.717 -8.306 37 HD11 ILE 4 3HD1 ILE 4 1.658 -4.839 -10.492 38 HD12 ILE 4 1HD1 ILE 4 2.204 -6.493 -10.768 39 HD13 ILE 4 2HD1 ILE 4 0.701 -6.194 -9.894 40 H THR 5 H THR 5 1.748 -2.654 -5.891 41 HA THR 5 HA THR 5 3.052 -1.069 -7.657 42 HB THR 5 HB THR 5 1.461 -0.298 -5.864 43 HG1 THR 5 HG1 THR 5 2.181 1.506 -6.701 44 HG21 THR 5 3HG2 THR 5 2.685 -1.332 -3.965 45 HG22 THR 5 1HG2 THR 5 2.343 0.380 -3.720 46 HG23 THR 5 2HG2 THR 5 3.964 -0.138 -4.183 47 H THR 6 H THR 6 4.431 -2.571 -4.799 48 HA THR 6 HA THR 6 7.075 -1.545 -5.608 49 HB THR 6 HB THR 6 6.007 -0.842 -3.297 50 HG1 THR 6 HG1 THR 6 8.696 -1.728 -3.640 51 HG21 THR 6 3HG2 THR 6 6.540 -2.297 -1.477 52 HG22 THR 6 1HG2 THR 6 7.374 -3.425 -2.546 53 HG23 THR 6 2HG2 THR 6 5.623 -3.240 -2.652 54 H ILE 7 H ILE 7 5.135 -4.281 -4.811 55 HA ILE 7 HA ILE 7 6.982 -6.199 -4.090 56 HB ILE 7 HB ILE 7 4.317 -6.241 -4.720 57 HG12 ILE 7 2HG1 ILE 7 4.409 -8.609 -4.076 58 HG13 ILE 7 3HG1 ILE 7 6.145 -8.628 -4.368 59 HG21 ILE 7 1HG2 ILE 7 4.844 -6.495 -7.108 60 HG22 ILE 7 2HG2 ILE 7 5.726 -7.977 -6.743 61 HG23 ILE 7 3HG2 ILE 7 3.987 -7.895 -6.463 62 HD11 ILE 7 3HD1 ILE 7 5.633 -6.519 -2.572 63 HD12 ILE 7 1HD1 ILE 7 4.732 -7.925 -2.005 64 HD13 ILE 7 2HD1 ILE 7 6.472 -8.040 -2.267 65 H HIS 8 H HIS 8 6.189 -5.003 -7.316 66 HA HIS 8 HA HIS 8 7.521 -6.829 -8.895 67 HB2 HIS 8 2HB HIS 8 7.632 -5.126 -10.588 68 HB3 HIS 8 3HB HIS 8 6.125 -4.910 -9.703 69 HD1 HIS 8 HD1 HIS 8 7.532 -3.389 -7.263 70 HD2 HIS 8 HD2 HIS 8 7.854 -2.453 -11.299 71 HE1 HIS 8 HE1 HIS 8 8.163 -0.955 -7.341 72 H ASN 9 H ASN 9 8.831 -4.444 -6.761 73 HA ASN 9 HA ASN 9 11.479 -4.519 -7.916 74 HB2 ASN 9 2HB ASN 9 10.421 -2.520 -6.712 75 HB3 ASN 9 3HB ASN 9 10.749 -3.391 -5.217 76 HD21 ASN 9 2HD2 ASN 9 14.253 -2.973 -5.382 77 HD22 ASN 9 1HD2 ASN 9 12.995 -4.020 -4.829 78 H LEU 10 H LEU 10 9.768 -5.966 -5.213 79 HA LEU 10 HA LEU 10 12.167 -7.209 -4.168 80 HB2 LEU 10 2HB LEU 10 10.901 -6.914 -2.349 81 HB3 LEU 10 3HB LEU 10 9.415 -6.802 -3.290 82 HG LEU 10 HG LEU 10 10.664 -9.477 -2.823 83 HD11 LEU 10 1HD1 LEU 10 10.529 -9.187 -0.613 84 HD12 LEU 10 2HD1 LEU 10 8.784 -9.276 -0.845 85 HD13 LEU 10 3HD1 LEU 10 9.584 -7.706 -0.770 86 HD21 LEU 10 3HD2 LEU 10 8.076 -9.906 -2.668 87 HD22 LEU 10 1HD2 LEU 10 8.872 -9.718 -4.231 88 HD23 LEU 10 2HD2 LEU 10 7.990 -8.364 -3.522 89 H PHE 11 H PHE 11 9.653 -7.951 -6.387 90 HA PHE 11 HA PHE 11 9.326 -10.647 -6.304 91 HB2 PHE 11 2HB PHE 11 9.396 -8.656 -8.496 92 HB3 PHE 11 3HB PHE 11 9.540 -10.343 -8.979 93 HD1 PHE 11 HD1 PHE 11 7.790 -11.116 -6.397 94 HD2 PHE 11 HD2 PHE 11 7.281 -8.582 -9.778 95 HE1 PHE 11 HE1 PHE 11 5.349 -11.374 -6.219 96 HE2 PHE 11 HE2 PHE 11 4.840 -8.835 -9.605 97 HZ PHE 11 HZ PHE 11 3.871 -10.232 -7.823 98 H ARG 12 H ARG 12 10.630 -12.346 -6.310 99 HA ARG 12 HA ARG 12 13.353 -12.328 -6.346 100 HB2 ARG 12 2HB ARG 12 12.532 -14.361 -5.672 101 HB3 ARG 12 3HB ARG 12 11.317 -14.413 -6.943 102 HG2 ARG 12 2HG ARG 12 13.025 -16.136 -7.233 103 HG3 ARG 12 3HG ARG 12 13.011 -14.992 -8.577 104 HD2 ARG 12 2HD ARG 12 14.798 -13.895 -6.763 105 HD3 ARG 12 3HD ARG 12 15.125 -15.626 -6.696 106 HE ARG 12 HE ARG 12 14.973 -14.948 -9.376 107 HH11 ARG 12 1HH1 ARG 12 16.948 -14.139 -6.625 108 HH12 ARG 12 2HH1 ARG 12 18.366 -13.828 -7.570 109 HH21 ARG 12 2HH2 ARG 12 18.300 -14.056 -9.849 110 HH22 ARG 12 1HH2 ARG 12 16.834 -14.541 -10.631 111 H LYS 13 H LYS 13 11.444 -13.444 -9.148 112 HA LYS 13 HA LYS 13 13.687 -12.673 -10.882 113 HB2 LYS 13 2HB LYS 13 13.152 -14.955 -11.207 114 HB3 LYS 13 3HB LYS 13 11.423 -14.632 -11.215 115 HG2 LYS 13 2HG LYS 13 12.549 -15.151 -13.443 116 HG3 LYS 13 3HG LYS 13 11.474 -13.752 -13.373 117 HD2 LYS 13 2HD LYS 13 13.191 -12.252 -13.575 118 HD3 LYS 13 3HD LYS 13 14.365 -13.329 -12.815 119 HE2 LYS 13 2HE LYS 13 15.020 -13.274 -15.054 120 HE3 LYS 13 3HE LYS 13 14.104 -14.774 -14.918 121 HZ1 LYS 13 3HZ LYS 13 12.164 -13.584 -15.803 122 HZ2 LYS 13 1HZ LYS 13 13.457 -13.597 -16.895 123 HZ3 LYS 13 2HZ LYS 13 13.110 -12.197 -16.011 124 H LEU 14 H LEU 14 10.284 -13.056 -11.744 125 HA LEU 14 HA LEU 14 10.259 -10.239 -12.611 126 HB2 LEU 14 2HB LEU 14 10.322 -11.521 -14.583 127 HB3 LEU 14 3HB LEU 14 9.174 -12.698 -13.948 128 HG LEU 14 HG LEU 14 7.772 -10.290 -13.990 129 HD11 LEU 14 1HD1 LEU 14 9.899 -9.914 -15.686 130 HD12 LEU 14 2HD1 LEU 14 8.359 -9.058 -15.753 131 HD13 LEU 14 3HD1 LEU 14 8.624 -10.475 -16.768 132 HD21 LEU 14 3HD2 LEU 14 6.649 -12.273 -14.469 133 HD22 LEU 14 1HD2 LEU 14 7.814 -12.748 -15.705 134 HD23 LEU 14 2HD2 LEU 14 6.683 -11.433 -16.020 135 H THR 15 H THR 15 7.574 -12.474 -12.815 136 HA THR 15 HA THR 15 6.257 -11.092 -10.575 137 HB THR 15 HB THR 15 5.245 -11.462 -13.368 138 HG1 THR 15 HG1 THR 15 6.088 -9.427 -12.277 139 HG21 THR 15 3HG2 THR 15 3.290 -10.839 -11.212 140 HG22 THR 15 1HG2 THR 15 3.731 -12.526 -11.472 141 HG23 THR 15 2HG2 THR 15 3.031 -11.584 -12.789 142 H HIS 16 H HIS 16 5.785 -13.798 -12.857 143 HA HIS 16 HA HIS 16 5.108 -15.497 -10.550 144 HB2 HIS 16 2HB HIS 16 3.583 -16.703 -12.301 145 HB3 HIS 16 3HB HIS 16 3.002 -15.252 -11.490 146 HD1 HIS 16 HD1 HIS 16 5.281 -15.487 -14.521 147 HD2 HIS 16 HD2 HIS 16 1.539 -14.045 -13.433 148 HE1 HIS 16 HE1 HIS 16 4.422 -14.256 -16.539 149 H ARG 17 H ARG 17 7.454 -14.980 -12.557 150 HA ARG 17 HA ARG 17 7.971 -17.107 -14.178 151 HB2 ARG 17 2HB ARG 17 9.460 -15.127 -13.797 152 HB3 ARG 17 3HB ARG 17 10.011 -15.890 -12.311 153 HG2 ARG 17 2HG ARG 17 11.596 -16.869 -13.508 154 HG3 ARG 17 3HG ARG 17 10.332 -17.840 -14.266 155 HD2 ARG 17 2HD ARG 17 10.373 -16.640 -16.185 156 HD3 ARG 17 3HD ARG 17 10.716 -15.124 -15.353 157 HE ARG 17 HE ARG 17 13.027 -16.482 -15.085 158 HH11 ARG 17 1HH1 ARG 17 11.006 -15.773 -17.829 159 HH12 ARG 17 2HH1 ARG 17 12.321 -15.750 -18.957 160 HH21 ARG 17 2HH2 ARG 17 14.460 -16.140 -18.234 161 HH22 ARG 17 1HH2 ARG 17 14.767 -16.455 -16.560 162 H LEU 18 H LEU 18 9.586 -17.059 -11.024 163 HA LEU 18 HA LEU 18 8.847 -19.889 -10.678 164 HB2 LEU 18 2HB LEU 18 11.040 -20.347 -9.782 165 HB3 LEU 18 3HB LEU 18 11.176 -19.677 -11.406 166 HG LEU 18 HG LEU 18 11.475 -17.892 -9.024 167 HD11 LEU 18 1HD1 LEU 18 13.354 -18.845 -8.344 168 HD12 LEU 18 2HD1 LEU 18 14.027 -18.726 -9.969 169 HD13 LEU 18 3HD1 LEU 18 13.103 -20.153 -9.500 170 HD21 LEU 18 3HD2 LEU 18 11.475 -16.607 -10.924 171 HD22 LEU 18 1HD2 LEU 18 12.208 -17.871 -11.912 172 HD23 LEU 18 2HD2 LEU 18 13.197 -16.960 -10.770 173 H PHE 19 H PHE 19 7.277 -18.015 -9.549 174 HA PHE 19 HA PHE 19 8.176 -17.625 -6.797 175 HB2 PHE 19 2HB PHE 19 5.640 -16.671 -8.143 176 HB3 PHE 19 3HB PHE 19 6.216 -16.193 -6.549 177 HD1 PHE 19 HD1 PHE 19 7.083 -16.089 -10.154 178 HD2 PHE 19 HD2 PHE 19 7.643 -14.370 -6.300 179 HE1 PHE 19 HE1 PHE 19 8.328 -14.226 -11.169 180 HE2 PHE 19 HE2 PHE 19 8.888 -12.504 -7.310 181 HZ PHE 19 HZ PHE 19 9.231 -12.429 -9.747 182 H ARG 20 H ARG 20 7.209 -20.213 -8.167 183 HA ARG 20 HA ARG 20 5.327 -20.961 -6.031 184 HB2 ARG 20 2HB ARG 20 4.244 -22.516 -7.644 185 HB3 ARG 20 3HB ARG 20 4.041 -20.820 -8.063 186 HG2 ARG 20 2HG ARG 20 4.682 -21.440 -10.105 187 HG3 ARG 20 3HG ARG 20 6.312 -21.478 -9.430 188 HD2 ARG 20 2HD ARG 20 6.384 -23.746 -9.377 189 HD3 ARG 20 3HD ARG 20 4.658 -23.899 -9.050 190 HE ARG 20 HE ARG 20 5.943 -23.846 -11.629 191 HH11 ARG 20 1HH1 ARG 20 2.973 -23.370 -9.876 192 HH12 ARG 20 2HH1 ARG 20 1.962 -23.644 -11.257 193 HH21 ARG 20 2HH2 ARG 20 2.902 -24.122 -13.291 194 HH22 ARG 20 1HH2 ARG 20 4.623 -24.209 -13.453 195 H ARG 21 H ARG 21 8.334 -21.368 -7.208 196 HA ARG 21 HA ARG 21 8.630 -24.201 -7.140 197 HB2 ARG 21 2HB ARG 21 10.581 -21.909 -7.042 198 HB3 ARG 21 3HB ARG 21 11.109 -23.582 -6.907 199 HG2 ARG 21 2HG ARG 21 10.034 -24.041 -9.096 200 HG3 ARG 21 3HG ARG 21 9.677 -22.318 -9.232 201 HD2 ARG 21 2HD ARG 21 11.651 -22.441 -10.396 202 HD3 ARG 21 3HD ARG 21 12.244 -22.065 -8.779 203 HE ARG 21 HE ARG 21 13.239 -24.123 -8.705 204 HH11 ARG 21 1HH1 ARG 21 10.896 -24.083 -11.280 205 HH12 ARG 21 2HH1 ARG 21 11.366 -25.629 -11.907 206 HH21 ARG 21 2HH2 ARG 21 13.055 -26.809 -10.905 207 HH22 ARG 21 1HH2 ARG 21 13.866 -26.159 -9.521 208 H ASN 22 H ASN 22 9.754 -21.674 -4.881 209 HA ASN 22 HA ASN 22 9.525 -23.658 -2.714 210 HB2 ASN 22 2HB ASN 22 11.843 -22.311 -3.591 211 HB3 ASN 22 3HB ASN 22 11.389 -21.560 -2.064 212 HD21 ASN 22 2HD2 ASN 22 11.534 -24.856 -0.406 213 HD22 ASN 22 1HD2 ASN 22 10.310 -23.676 -0.710 214 H PHE 23 H PHE 23 9.635 -20.160 -3.382 215 HA PHE 23 HA PHE 23 8.010 -19.675 -0.999 216 HB2 PHE 23 2HB PHE 23 8.507 -17.270 -1.459 217 HB3 PHE 23 3HB PHE 23 9.945 -18.251 -1.198 218 HD1 PHE 23 HD1 PHE 23 8.310 -15.958 -3.358 219 HD2 PHE 23 HD2 PHE 23 11.169 -19.110 -3.282 220 HE1 PHE 23 HE1 PHE 23 9.224 -15.176 -5.505 221 HE2 PHE 23 HE2 PHE 23 12.088 -18.333 -5.428 222 HZ PHE 23 HZ PHE 23 11.116 -16.363 -6.542 223 H GLY 24 H GLY 24 5.947 -20.248 -1.564 224 HA2 GLY 24 2HA GLY 24 4.636 -19.947 -3.953 225 HA3 GLY 24 3HA GLY 24 3.835 -19.853 -2.392 226 H TYR 25 H TYR 25 3.366 -17.840 -1.492 227 HA TYR 25 HA TYR 25 3.900 -15.500 -3.186 228 HB2 TYR 25 2HB TYR 25 1.424 -16.737 -3.054 229 HB3 TYR 25 3HB TYR 25 1.278 -15.410 -1.906 230 HD1 TYR 25 HD1 TYR 25 2.444 -16.084 -5.390 231 HD2 TYR 25 HD2 TYR 25 0.657 -13.323 -2.691 232 HE1 TYR 25 HE1 TYR 25 2.053 -14.526 -7.253 233 HE2 TYR 25 HE2 TYR 25 0.260 -11.758 -4.546 234 HH TYR 25 HH TYR 25 0.798 -12.668 -7.866 235 H THR 26 H THR 26 5.313 -14.507 -1.839 236 HA THR 26 HA THR 26 4.796 -14.311 1.001 237 HB THR 26 HB THR 26 7.114 -14.475 -0.231 238 HG1 THR 26 HG1 THR 26 7.946 -13.113 1.619 239 HG21 THR 26 3HG2 THR 26 7.015 -11.499 0.071 240 HG22 THR 26 1HG2 THR 26 6.502 -12.249 -1.439 241 HG23 THR 26 2HG2 THR 26 8.146 -12.492 -0.848 242 H LEU 27 H LEU 27 3.925 -12.575 -1.758 243 HA LEU 27 HA LEU 27 3.969 -9.926 -0.783 244 HB2 LEU 27 2HB LEU 27 1.808 -10.665 -2.645 245 HB3 LEU 27 3HB LEU 27 2.990 -9.360 -2.737 246 HG LEU 27 HG LEU 27 3.396 -12.244 -3.517 247 HD11 LEU 27 1HD1 LEU 27 3.221 -11.588 -5.671 248 HD12 LEU 27 2HD1 LEU 27 3.909 -9.995 -5.360 249 HD13 LEU 27 3HD1 LEU 27 2.221 -10.319 -4.965 250 HD21 LEU 27 3HD2 LEU 27 5.305 -10.316 -2.613 251 HD22 LEU 27 1HD2 LEU 27 5.567 -10.645 -4.325 252 HD23 LEU 27 2HD2 LEU 27 5.568 -11.971 -3.163 253 H ARG 28 H ARG 28 1.769 -12.580 -0.328 254 HA ARG 28 HA ARG 28 -0.547 -11.251 0.439 255 HB2 ARG 28 2HB ARG 28 -1.213 -13.272 1.510 256 HB3 ARG 28 3HB ARG 28 -0.259 -13.731 0.107 257 HG2 ARG 28 2HG ARG 28 1.715 -13.875 1.729 258 HG3 ARG 28 3HG ARG 28 0.494 -13.844 3.003 259 HD2 ARG 28 2HD ARG 28 0.198 -15.765 0.740 260 HD3 ARG 28 3HD ARG 28 1.354 -16.118 2.024 261 HE ARG 28 HE ARG 28 -1.506 -16.241 2.191 262 HH11 ARG 28 1HH1 ARG 28 1.435 -15.783 3.997 263 HH12 ARG 28 2HH1 ARG 28 0.748 -16.307 5.499 264 HH21 ARG 28 2HH2 ARG 28 -1.446 -16.961 5.591 265 HH22 ARG 28 1HH2 ARG 28 -2.422 -16.932 4.162 Start of MODEL 3 1 H1 LYS 1 H LYS 1 0.402 -0.783 0.095 2 HA LYS 1 HA LYS 1 1.306 -0.088 -1.983 3 HB2 LYS 1 2HB LYS 1 3.136 1.523 -0.204 4 HB3 LYS 1 3HB LYS 1 3.397 1.345 -1.935 5 HG2 LYS 1 2HG LYS 1 0.696 2.148 -1.471 6 HG3 LYS 1 3HG LYS 1 1.789 3.228 -0.602 7 HD2 LYS 1 2HD LYS 1 2.637 2.568 -3.334 8 HD3 LYS 1 3HD LYS 1 1.124 3.472 -3.232 9 HE2 LYS 1 2HE LYS 1 2.883 5.063 -3.396 10 HE3 LYS 1 3HE LYS 1 2.308 5.095 -1.730 11 HZ1 LYS 1 3HZ LYS 1 4.793 3.867 -2.772 12 HZ2 LYS 1 1HZ LYS 1 4.185 3.517 -1.232 13 HZ3 LYS 1 2HZ LYS 1 4.641 5.098 -1.621 14 H TYR 2 H TYR 2 1.655 -2.425 -0.442 15 HA TYR 2 HA TYR 2 4.427 -3.148 -1.134 16 HB2 TYR 2 2HB TYR 2 3.797 -3.141 1.346 17 HB3 TYR 2 3HB TYR 2 2.784 -4.533 0.981 18 HD1 TYR 2 HD1 TYR 2 6.067 -3.424 1.815 19 HD2 TYR 2 HD2 TYR 2 3.929 -6.569 -0.094 20 HE1 TYR 2 HE1 TYR 2 8.016 -4.901 2.077 21 HE2 TYR 2 HE2 TYR 2 5.871 -8.054 0.165 22 HH TYR 2 HH TYR 2 8.838 -6.938 1.770 23 H GLU 3 H GLU 3 1.080 -3.830 -1.495 24 HA GLU 3 HA GLU 3 0.905 -6.468 -2.135 25 HB2 GLU 3 2HB GLU 3 -0.936 -4.740 -2.224 26 HB3 GLU 3 3HB GLU 3 -0.349 -4.301 -3.822 27 HG2 GLU 3 2HG GLU 3 -0.670 -7.096 -3.818 28 HG3 GLU 3 3HG GLU 3 -2.109 -6.413 -3.064 29 H ILE 4 H ILE 4 1.196 -4.117 -4.783 30 HA ILE 4 HA ILE 4 3.231 -5.834 -6.025 31 HB ILE 4 HB ILE 4 1.016 -6.359 -7.017 32 HG12 ILE 4 2HG1 ILE 4 3.154 -5.071 -8.701 33 HG13 ILE 4 3HG1 ILE 4 2.861 -6.785 -8.426 34 HG21 ILE 4 1HG2 ILE 4 1.083 -3.531 -8.056 35 HG22 ILE 4 2HG2 ILE 4 -0.166 -4.743 -8.340 36 HG23 ILE 4 3HG2 ILE 4 0.067 -4.080 -6.723 37 HD11 ILE 4 3HD1 ILE 4 1.466 -4.889 -10.246 38 HD12 ILE 4 1HD1 ILE 4 2.075 -6.515 -10.559 39 HD13 ILE 4 2HD1 ILE 4 0.598 -6.291 -9.620 40 H THR 5 H THR 5 1.704 -2.690 -5.753 41 HA THR 5 HA THR 5 2.968 -1.126 -7.558 42 HB THR 5 HB THR 5 1.387 -0.340 -5.761 43 HG1 THR 5 HG1 THR 5 2.077 1.667 -6.118 44 HG21 THR 5 3HG2 THR 5 2.625 -1.299 -3.848 45 HG22 THR 5 1HG2 THR 5 2.311 0.425 -3.652 46 HG23 THR 5 2HG2 THR 5 3.917 -0.131 -4.125 47 H THR 6 H THR 6 4.405 -2.550 -4.691 48 HA THR 6 HA THR 6 7.021 -1.487 -5.541 49 HB THR 6 HB THR 6 5.807 -1.714 -2.842 50 HG1 THR 6 HG1 THR 6 6.352 0.278 -4.059 51 HG21 THR 6 3HG2 THR 6 8.715 -2.280 -3.404 52 HG22 THR 6 1HG2 THR 6 7.567 -3.304 -2.543 53 HG23 THR 6 2HG2 THR 6 8.105 -1.785 -1.826 54 H ILE 7 H ILE 7 5.148 -4.256 -4.674 55 HA ILE 7 HA ILE 7 7.063 -6.125 -3.992 56 HB ILE 7 HB ILE 7 4.371 -6.224 -4.541 57 HG12 ILE 7 2HG1 ILE 7 4.529 -8.567 -3.819 58 HG13 ILE 7 3HG1 ILE 7 6.258 -8.558 -4.148 59 HG21 ILE 7 1HG2 ILE 7 4.826 -6.552 -6.926 60 HG22 ILE 7 2HG2 ILE 7 5.777 -7.986 -6.543 61 HG23 ILE 7 3HG2 ILE 7 4.045 -7.963 -6.212 62 HD11 ILE 7 3HD1 ILE 7 6.616 -7.894 -2.076 63 HD12 ILE 7 1HD1 ILE 7 5.742 -6.400 -2.416 64 HD13 ILE 7 2HD1 ILE 7 4.880 -7.802 -1.780 65 H HIS 8 H HIS 8 6.105 -5.007 -7.203 66 HA HIS 8 HA HIS 8 7.413 -6.822 -8.809 67 HB2 HIS 8 2HB HIS 8 7.417 -5.146 -10.528 68 HB3 HIS 8 3HB HIS 8 5.949 -4.935 -9.580 69 HD1 HIS 8 HD1 HIS 8 7.444 -3.356 -7.230 70 HD2 HIS 8 HD2 HIS 8 7.571 -2.482 -11.290 71 HE1 HIS 8 HE1 HIS 8 8.037 -0.916 -7.375 72 H ASN 9 H ASN 9 8.761 -4.378 -6.765 73 HA ASN 9 HA ASN 9 11.365 -4.434 -8.022 74 HB2 ASN 9 2HB ASN 9 10.164 -2.497 -6.657 75 HB3 ASN 9 3HB ASN 9 10.954 -3.289 -5.297 76 HD21 ASN 9 2HD2 ASN 9 13.013 -0.660 -7.254 77 HD22 ASN 9 1HD2 ASN 9 11.302 -0.726 -7.022 78 H LEU 10 H LEU 10 9.784 -5.835 -5.217 79 HA LEU 10 HA LEU 10 12.232 -6.994 -4.207 80 HB2 LEU 10 2HB LEU 10 10.957 -6.681 -2.388 81 HB3 LEU 10 3HB LEU 10 9.458 -6.719 -3.313 82 HG LEU 10 HG LEU 10 10.897 -9.279 -2.791 83 HD11 LEU 10 1HD1 LEU 10 9.548 -7.577 -0.765 84 HD12 LEU 10 2HD1 LEU 10 10.908 -8.687 -0.591 85 HD13 LEU 10 3HD1 LEU 10 9.266 -9.318 -0.716 86 HD21 LEU 10 3HD2 LEU 10 9.081 -9.816 -4.016 87 HD22 LEU 10 1HD2 LEU 10 8.203 -8.358 -3.555 88 HD23 LEU 10 2HD2 LEU 10 8.265 -9.735 -2.454 89 H PHE 11 H PHE 11 9.671 -7.882 -6.337 90 HA PHE 11 HA PHE 11 9.488 -10.588 -6.213 91 HB2 PHE 11 2HB PHE 11 9.401 -8.637 -8.450 92 HB3 PHE 11 3HB PHE 11 9.557 -10.336 -8.887 93 HD1 PHE 11 HD1 PHE 11 7.229 -8.632 -9.628 94 HD2 PHE 11 HD2 PHE 11 7.942 -11.069 -6.211 95 HE1 PHE 11 HE1 PHE 11 4.803 -8.925 -9.335 96 HE2 PHE 11 HE2 PHE 11 5.518 -11.366 -5.914 97 HZ PHE 11 HZ PHE 11 3.945 -10.295 -7.477 98 H ARG 12 H ARG 12 10.888 -12.208 -6.226 99 HA ARG 12 HA ARG 12 13.615 -12.003 -6.438 100 HB2 ARG 12 2HB ARG 12 13.149 -14.050 -5.602 101 HB3 ARG 12 3HB ARG 12 11.667 -14.202 -6.536 102 HG2 ARG 12 2HG ARG 12 12.801 -15.030 -8.413 103 HG3 ARG 12 3HG ARG 12 14.370 -14.507 -7.797 104 HD2 ARG 12 2HD ARG 12 13.217 -16.233 -5.869 105 HD3 ARG 12 3HD ARG 12 13.052 -17.008 -7.444 106 HE ARG 12 HE ARG 12 15.439 -16.707 -5.954 107 HH11 ARG 12 1HH1 ARG 12 14.211 -16.628 -9.210 108 HH12 ARG 12 2HH1 ARG 12 15.714 -17.104 -9.928 109 HH21 ARG 12 2HH2 ARG 12 17.541 -17.507 -8.605 110 HH22 ARG 12 1HH2 ARG 12 17.424 -17.335 -6.887 111 H LYS 13 H LYS 13 11.511 -13.348 -8.990 112 HA LYS 13 HA LYS 13 13.604 -12.724 -10.950 113 HB2 LYS 13 2HB LYS 13 12.946 -15.014 -11.051 114 HB3 LYS 13 3HB LYS 13 11.239 -14.595 -11.024 115 HG2 LYS 13 2HG LYS 13 12.294 -15.318 -13.247 116 HG3 LYS 13 3HG LYS 13 11.240 -13.903 -13.237 117 HD2 LYS 13 2HD LYS 13 12.971 -12.442 -13.587 118 HD3 LYS 13 3HD LYS 13 14.157 -13.493 -12.809 119 HE2 LYS 13 2HE LYS 13 13.909 -15.042 -14.777 120 HE3 LYS 13 3HE LYS 13 12.957 -13.780 -15.557 121 HZ1 LYS 13 3HZ LYS 13 15.694 -14.042 -15.594 122 HZ2 LYS 13 1HZ LYS 13 15.402 -12.741 -14.553 123 HZ3 LYS 13 2HZ LYS 13 14.797 -12.712 -16.132 124 H LEU 14 H LEU 14 10.174 -13.085 -11.628 125 HA LEU 14 HA LEU 14 10.114 -10.282 -12.535 126 HB2 LEU 14 2HB LEU 14 10.128 -11.603 -14.488 127 HB3 LEU 14 3HB LEU 14 8.988 -12.760 -13.805 128 HG LEU 14 HG LEU 14 7.599 -10.347 -13.849 129 HD11 LEU 14 1HD1 LEU 14 8.156 -9.135 -15.635 130 HD12 LEU 14 2HD1 LEU 14 8.388 -10.563 -16.642 131 HD13 LEU 14 3HD1 LEU 14 9.692 -10.001 -15.596 132 HD21 LEU 14 3HD2 LEU 14 6.441 -12.311 -14.288 133 HD22 LEU 14 1HD2 LEU 14 7.593 -12.834 -15.517 134 HD23 LEU 14 2HD2 LEU 14 6.477 -11.512 -15.861 135 H THR 15 H THR 15 7.422 -12.508 -12.653 136 HA THR 15 HA THR 15 6.173 -11.120 -10.378 137 HB THR 15 HB THR 15 5.075 -11.502 -13.139 138 HG1 THR 15 HG1 THR 15 5.083 -9.392 -13.027 139 HG21 THR 15 3HG2 THR 15 3.216 -10.851 -10.900 140 HG22 THR 15 1HG2 THR 15 3.605 -12.541 -11.216 141 HG23 THR 15 2HG2 THR 15 2.872 -11.554 -12.480 142 H HIS 16 H HIS 16 5.591 -13.816 -12.647 143 HA HIS 16 HA HIS 16 4.991 -15.516 -10.319 144 HB2 HIS 16 2HB HIS 16 3.392 -16.710 -11.997 145 HB3 HIS 16 3HB HIS 16 2.856 -15.236 -11.197 146 HD1 HIS 16 HD1 HIS 16 5.089 -15.453 -14.251 147 HD2 HIS 16 HD2 HIS 16 1.298 -14.152 -13.156 148 HE1 HIS 16 HE1 HIS 16 4.173 -14.275 -16.274 149 H ARG 17 H ARG 17 7.250 -15.006 -12.448 150 HA ARG 17 HA ARG 17 7.697 -17.142 -14.070 151 HB2 ARG 17 2HB ARG 17 9.211 -15.172 -13.764 152 HB3 ARG 17 3HB ARG 17 9.812 -15.921 -12.291 153 HG2 ARG 17 2HG ARG 17 11.310 -17.022 -13.484 154 HG3 ARG 17 3HG ARG 17 10.007 -17.853 -14.335 155 HD2 ARG 17 2HD ARG 17 9.999 -15.456 -15.597 156 HD3 ARG 17 3HD ARG 17 11.708 -15.612 -15.194 157 HE ARG 17 HE ARG 17 10.805 -18.020 -16.324 158 HH11 ARG 17 1HH1 ARG 17 11.461 -14.718 -17.210 159 HH12 ARG 17 2HH1 ARG 17 11.848 -15.099 -18.856 160 HH21 ARG 17 2HH2 ARG 17 11.762 -17.270 -19.581 161 HH22 ARG 17 1HH2 ARG 17 11.312 -18.535 -18.487 162 H LEU 18 H LEU 18 9.436 -17.093 -10.983 163 HA LEU 18 HA LEU 18 8.700 -19.919 -10.600 164 HB2 LEU 18 2HB LEU 18 10.924 -20.386 -9.794 165 HB3 LEU 18 3HB LEU 18 10.999 -19.717 -11.423 166 HG LEU 18 HG LEU 18 11.384 -17.904 -9.082 167 HD11 LEU 18 1HD1 LEU 18 13.886 -18.903 -10.101 168 HD12 LEU 18 2HD1 LEU 18 12.925 -20.205 -9.402 169 HD13 LEU 18 3HD1 LEU 18 13.317 -18.782 -8.436 170 HD21 LEU 18 3HD2 LEU 18 11.342 -16.716 -11.067 171 HD22 LEU 18 1HD2 LEU 18 12.161 -17.991 -11.969 172 HD23 LEU 18 2HD2 LEU 18 13.068 -16.994 -10.831 173 H PHE 19 H PHE 19 7.177 -18.054 -9.411 174 HA PHE 19 HA PHE 19 8.191 -17.658 -6.698 175 HB2 PHE 19 2HB PHE 19 5.606 -16.690 -7.937 176 HB3 PHE 19 3HB PHE 19 6.259 -16.208 -6.374 177 HD1 PHE 19 HD1 PHE 19 7.659 -14.365 -6.206 178 HD2 PHE 19 HD2 PHE 19 7.007 -16.156 -10.011 179 HE1 PHE 19 HE1 PHE 19 8.868 -12.512 -7.281 180 HE2 PHE 19 HE2 PHE 19 8.216 -14.307 -11.093 181 HZ PHE 19 HZ PHE 19 9.150 -12.482 -9.728 182 H ARG 20 H ARG 20 7.173 -20.245 -8.011 183 HA ARG 20 HA ARG 20 5.340 -20.968 -5.822 184 HB2 ARG 20 2HB ARG 20 4.211 -22.530 -7.371 185 HB3 ARG 20 3HB ARG 20 4.044 -20.851 -7.866 186 HG2 ARG 20 2HG ARG 20 6.360 -21.874 -9.121 187 HG3 ARG 20 3HG ARG 20 5.066 -23.054 -9.339 188 HD2 ARG 20 2HD ARG 20 3.606 -21.260 -10.184 189 HD3 ARG 20 3HD ARG 20 4.937 -20.117 -10.012 190 HE ARG 20 HE ARG 20 5.905 -22.144 -11.596 191 HH11 ARG 20 1HH1 ARG 20 3.269 -19.876 -11.739 192 HH12 ARG 20 2HH1 ARG 20 3.257 -19.799 -13.470 193 HH21 ARG 20 2HH2 ARG 20 4.754 -21.038 -14.684 194 HH22 ARG 20 1HH2 ARG 20 5.900 -22.052 -13.875 195 H ARG 21 H ARG 21 8.330 -21.382 -7.038 196 HA ARG 21 HA ARG 21 8.622 -24.221 -6.893 197 HB2 ARG 21 2HB ARG 21 10.437 -21.889 -7.219 198 HB3 ARG 21 3HB ARG 21 11.147 -23.381 -6.619 199 HG2 ARG 21 2HG ARG 21 10.364 -24.572 -8.582 200 HG3 ARG 21 3HG ARG 21 9.578 -23.108 -9.174 201 HD2 ARG 21 2HD ARG 21 11.479 -22.351 -10.052 202 HD3 ARG 21 3HD ARG 21 12.353 -22.623 -8.545 203 HE ARG 21 HE ARG 21 12.354 -24.300 -10.863 204 HH11 ARG 21 1HH1 ARG 21 12.708 -24.257 -7.400 205 HH12 ARG 21 2HH1 ARG 21 13.675 -25.693 -7.351 206 HH21 ARG 21 2HH2 ARG 21 14.199 -26.792 -9.291 207 HH22 ARG 21 1HH2 ARG 21 13.628 -26.192 -10.811 208 H ASN 22 H ASN 22 9.802 -21.591 -4.787 209 HA ASN 22 HA ASN 22 9.712 -23.494 -2.539 210 HB2 ASN 22 2HB ASN 22 11.850 -21.675 -3.445 211 HB3 ASN 22 3HB ASN 22 11.532 -21.640 -1.713 212 HD21 ASN 22 2HD2 ASN 22 14.003 -24.318 -2.852 213 HD22 ASN 22 1HD2 ASN 22 13.781 -22.693 -3.397 214 H PHE 23 H PHE 23 9.719 -20.015 -3.311 215 HA PHE 23 HA PHE 23 8.095 -19.524 -0.922 216 HB2 PHE 23 2HB PHE 23 8.629 -17.140 -1.300 217 HB3 PHE 23 3HB PHE 23 10.078 -18.128 -1.142 218 HD1 PHE 23 HD1 PHE 23 11.159 -18.939 -3.348 219 HD2 PHE 23 HD2 PHE 23 8.405 -15.704 -3.094 220 HE1 PHE 23 HE1 PHE 23 11.987 -18.070 -5.496 221 HE2 PHE 23 HE2 PHE 23 9.227 -14.830 -5.241 222 HZ PHE 23 HZ PHE 23 11.020 -16.014 -6.446 223 H GLY 24 H GLY 24 6.040 -20.094 -1.528 224 HA2 GLY 24 2HA GLY 24 4.774 -19.759 -3.941 225 HA3 GLY 24 3HA GLY 24 3.945 -19.701 -2.393 226 H TYR 25 H TYR 25 3.449 -17.709 -1.462 227 HA TYR 25 HA TYR 25 3.988 -15.337 -3.112 228 HB2 TYR 25 2HB TYR 25 1.514 -16.587 -2.986 229 HB3 TYR 25 3HB TYR 25 1.369 -15.263 -1.836 230 HD1 TYR 25 HD1 TYR 25 0.775 -13.160 -2.610 231 HD2 TYR 25 HD2 TYR 25 2.498 -15.944 -5.328 232 HE1 TYR 25 HE1 TYR 25 0.376 -11.591 -4.461 233 HE2 TYR 25 HE2 TYR 25 2.105 -14.382 -7.186 234 HH TYR 25 HH TYR 25 0.581 -11.218 -6.636 235 H THR 26 H THR 26 5.412 -14.384 -1.739 236 HA THR 26 HA THR 26 4.882 -14.223 1.099 237 HB THR 26 HB THR 26 7.204 -14.330 -0.207 238 HG1 THR 26 HG1 THR 26 6.665 -12.905 2.202 239 HG21 THR 26 3HG2 THR 26 7.096 -11.400 0.404 240 HG22 THR 26 1HG2 THR 26 6.587 -11.995 -1.177 241 HG23 THR 26 2HG2 THR 26 8.232 -12.288 -0.611 242 H LEU 27 H LEU 27 3.894 -12.506 -1.587 243 HA LEU 27 HA LEU 27 3.964 -9.853 -0.539 244 HB2 LEU 27 2HB LEU 27 1.884 -10.454 -2.512 245 HB3 LEU 27 3HB LEU 27 3.153 -9.230 -2.536 246 HG LEU 27 HG LEU 27 3.420 -12.125 -3.341 247 HD11 LEU 27 1HD1 LEU 27 2.340 -10.167 -4.804 248 HD12 LEU 27 2HD1 LEU 27 3.319 -11.457 -5.499 249 HD13 LEU 27 3HD1 LEU 27 4.043 -9.884 -5.164 250 HD21 LEU 27 3HD2 LEU 27 5.392 -10.319 -2.372 251 HD22 LEU 27 1HD2 LEU 27 5.661 -10.569 -4.097 252 HD23 LEU 27 2HD2 LEU 27 5.604 -11.952 -3.004 253 H ARG 28 H ARG 28 1.868 -12.558 -0.146 254 HA ARG 28 HA ARG 28 -0.534 -11.276 0.511 255 HB2 ARG 28 2HB ARG 28 -1.194 -13.343 1.539 256 HB3 ARG 28 3HB ARG 28 -0.253 -13.724 0.103 257 HG2 ARG 28 2HG ARG 28 1.741 -13.897 1.728 258 HG3 ARG 28 3HG ARG 28 0.503 -14.009 2.981 259 HD2 ARG 28 2HD ARG 28 0.055 -15.743 0.658 260 HD3 ARG 28 3HD ARG 28 1.508 -16.120 1.583 261 HE ARG 28 HE ARG 28 -0.717 -15.774 3.303 262 HH11 ARG 28 1HH1 ARG 28 0.693 -18.014 1.042 263 HH12 ARG 28 2HH1 ARG 28 -0.014 -19.411 1.785 264 HH21 ARG 28 2HH2 ARG 28 -1.348 -19.177 3.632 265 HH22 ARG 28 1HH2 ARG 28 -1.652 -17.605 4.291 Start of MODEL 4 1 H1 LYS 1 H LYS 1 1.964 -0.264 1.326 2 HA LYS 1 HA LYS 1 1.628 -0.288 -1.601 3 HB2 LYS 1 2HB LYS 1 3.589 1.194 0.150 4 HB3 LYS 1 3HB LYS 1 3.791 1.044 -1.591 5 HG2 LYS 1 2HG LYS 1 1.227 1.954 -1.403 6 HG3 LYS 1 3HG LYS 1 2.009 2.766 -0.044 7 HD2 LYS 1 2HD LYS 1 3.801 3.505 -1.625 8 HD3 LYS 1 3HD LYS 1 2.833 2.844 -2.944 9 HE2 LYS 1 2HE LYS 1 0.948 4.331 -2.029 10 HE3 LYS 1 3HE LYS 1 2.222 5.159 -1.135 11 HZ1 LYS 1 3HZ LYS 1 2.746 6.286 -2.949 12 HZ2 LYS 1 1HZ LYS 1 1.468 5.554 -3.780 13 HZ3 LYS 1 2HZ LYS 1 3.009 4.860 -3.821 14 H TYR 2 H TYR 2 1.898 -2.697 -0.229 15 HA TYR 2 HA TYR 2 4.646 -3.502 -0.929 16 HB2 TYR 2 2HB TYR 2 3.915 -3.676 1.522 17 HB3 TYR 2 3HB TYR 2 2.867 -4.989 0.997 18 HD1 TYR 2 HD1 TYR 2 4.020 -6.928 -0.299 19 HD2 TYR 2 HD2 TYR 2 6.108 -4.133 2.137 20 HE1 TYR 2 HE1 TYR 2 5.895 -8.508 -0.104 21 HE2 TYR 2 HE2 TYR 2 7.989 -5.705 2.338 22 HH TYR 2 HH TYR 2 7.888 -8.760 1.886 23 H GLU 3 H GLU 3 1.261 -4.061 -1.363 24 HA GLU 3 HA GLU 3 1.013 -6.599 -2.270 25 HB2 GLU 3 2HB GLU 3 -0.173 -4.046 -3.328 26 HB3 GLU 3 3HB GLU 3 -0.587 -5.602 -4.034 27 HG2 GLU 3 2HG GLU 3 -0.854 -5.866 -1.240 28 HG3 GLU 3 3HG GLU 3 -1.634 -4.354 -1.701 29 H ILE 4 H ILE 4 1.333 -4.091 -4.750 30 HA ILE 4 HA ILE 4 3.399 -5.711 -6.071 31 HB ILE 4 HB ILE 4 1.174 -6.162 -7.105 32 HG12 ILE 4 2HG1 ILE 4 3.357 -4.830 -8.699 33 HG13 ILE 4 3HG1 ILE 4 3.046 -6.551 -8.497 34 HG21 ILE 4 1HG2 ILE 4 1.312 -3.287 -7.999 35 HG22 ILE 4 2HG2 ILE 4 0.052 -4.460 -8.378 36 HG23 ILE 4 3HG2 ILE 4 0.254 -3.888 -6.722 37 HD11 ILE 4 3HD1 ILE 4 0.887 -6.166 -9.751 38 HD12 ILE 4 1HD1 ILE 4 1.521 -4.570 -10.152 39 HD13 ILE 4 2HD1 ILE 4 2.377 -6.018 -10.681 40 H THR 5 H THR 5 1.886 -2.599 -5.565 41 HA THR 5 HA THR 5 3.139 -0.908 -7.266 42 HB THR 5 HB THR 5 1.569 -0.263 -5.397 43 HG1 THR 5 HG1 THR 5 2.723 1.817 -5.097 44 HG21 THR 5 3HG2 THR 5 4.127 -0.179 -3.793 45 HG22 THR 5 1HG2 THR 5 2.812 -1.330 -3.560 46 HG23 THR 5 2HG2 THR 5 2.545 0.387 -3.259 47 H THR 6 H THR 6 4.590 -2.547 -4.524 48 HA THR 6 HA THR 6 7.203 -1.429 -5.312 49 HB THR 6 HB THR 6 6.150 -0.909 -2.936 50 HG1 THR 6 HG1 THR 6 8.116 -0.091 -3.129 51 HG21 THR 6 3HG2 THR 6 6.789 -2.460 -1.230 52 HG22 THR 6 1HG2 THR 6 7.626 -3.484 -2.396 53 HG23 THR 6 2HG2 THR 6 5.868 -3.353 -2.440 54 H ILE 7 H ILE 7 5.325 -4.245 -4.635 55 HA ILE 7 HA ILE 7 7.219 -6.169 -4.078 56 HB ILE 7 HB ILE 7 4.540 -6.219 -4.652 57 HG12 ILE 7 2HG1 ILE 7 4.686 -8.620 -4.152 58 HG13 ILE 7 3HG1 ILE 7 6.416 -8.588 -4.475 59 HG21 ILE 7 1HG2 ILE 7 5.005 -6.325 -7.058 60 HG22 ILE 7 2HG2 ILE 7 5.939 -7.799 -6.805 61 HG23 ILE 7 3HG2 ILE 7 4.207 -7.787 -6.479 62 HD11 ILE 7 3HD1 ILE 7 5.939 -6.600 -2.557 63 HD12 ILE 7 1HD1 ILE 7 5.014 -8.015 -2.055 64 HD13 ILE 7 2HD1 ILE 7 6.750 -8.150 -2.337 65 H HIS 8 H HIS 8 6.318 -4.809 -7.212 66 HA HIS 8 HA HIS 8 7.650 -6.509 -8.924 67 HB2 HIS 8 2HB HIS 8 7.675 -4.718 -10.520 68 HB3 HIS 8 3HB HIS 8 6.195 -4.570 -9.578 69 HD1 HIS 8 HD1 HIS 8 7.621 -3.152 -7.104 70 HD2 HIS 8 HD2 HIS 8 7.883 -2.017 -11.092 71 HE1 HIS 8 HE1 HIS 8 8.230 -0.713 -7.070 72 H ASN 9 H ASN 9 8.962 -4.190 -6.709 73 HA ASN 9 HA ASN 9 11.574 -4.117 -7.920 74 HB2 ASN 9 2HB ASN 9 10.302 -2.406 -6.281 75 HB3 ASN 9 3HB ASN 9 11.227 -3.308 -5.084 76 HD21 ASN 9 2HD2 ASN 9 14.366 -2.361 -6.752 77 HD22 ASN 9 1HD2 ASN 9 13.543 -3.833 -6.375 78 H LEU 10 H LEU 10 9.995 -5.855 -5.309 79 HA LEU 10 HA LEU 10 12.466 -7.119 -4.468 80 HB2 LEU 10 2HB LEU 10 11.322 -7.135 -2.565 81 HB3 LEU 10 3HB LEU 10 9.814 -6.758 -3.397 82 HG LEU 10 HG LEU 10 10.878 -9.562 -3.323 83 HD11 LEU 10 1HD1 LEU 10 8.920 -9.445 -1.391 84 HD12 LEU 10 2HD1 LEU 10 9.879 -7.996 -1.088 85 HD13 LEU 10 3HD1 LEU 10 10.656 -9.579 -1.107 86 HD21 LEU 10 3HD2 LEU 10 9.117 -9.653 -4.734 87 HD22 LEU 10 1HD2 LEU 10 8.381 -8.187 -4.086 88 HD23 LEU 10 2HD2 LEU 10 8.196 -9.719 -3.231 89 H PHE 11 H PHE 11 9.903 -7.714 -6.664 90 HA PHE 11 HA PHE 11 9.650 -10.431 -6.789 91 HB2 PHE 11 2HB PHE 11 9.528 -8.254 -8.801 92 HB3 PHE 11 3HB PHE 11 9.663 -9.894 -9.426 93 HD1 PHE 11 HD1 PHE 11 7.332 -8.243 -10.029 94 HD2 PHE 11 HD2 PHE 11 8.103 -10.780 -6.700 95 HE1 PHE 11 HE1 PHE 11 4.912 -8.558 -9.712 96 HE2 PHE 11 HE2 PHE 11 5.685 -11.100 -6.378 97 HZ PHE 11 HZ PHE 11 4.086 -9.989 -7.886 98 H ARG 12 H ARG 12 11.005 -12.071 -7.045 99 HA ARG 12 HA ARG 12 13.722 -11.929 -7.247 100 HB2 ARG 12 2HB ARG 12 12.043 -13.962 -6.925 101 HB3 ARG 12 3HB ARG 12 12.390 -14.209 -8.631 102 HG2 ARG 12 2HG ARG 12 14.309 -14.262 -6.323 103 HG3 ARG 12 3HG ARG 12 13.900 -15.567 -7.438 104 HD2 ARG 12 2HD ARG 12 14.911 -14.256 -9.277 105 HD3 ARG 12 3HD ARG 12 15.391 -13.031 -8.103 106 HE ARG 12 HE ARG 12 16.657 -15.561 -8.580 107 HH11 ARG 12 1HH1 ARG 12 16.098 -13.052 -6.233 108 HH12 ARG 12 2HH1 ARG 12 17.523 -13.411 -5.315 109 HH21 ARG 12 2HH2 ARG 12 18.910 -15.113 -5.970 110 HH22 ARG 12 1HH2 ARG 12 18.537 -16.045 -7.381 111 H LYS 13 H LYS 13 11.709 -12.964 -10.004 112 HA LYS 13 HA LYS 13 13.738 -11.810 -11.797 113 HB2 LYS 13 2HB LYS 13 11.981 -13.445 -13.277 114 HB3 LYS 13 3HB LYS 13 13.659 -13.769 -12.861 115 HG2 LYS 13 2HG LYS 13 12.580 -14.567 -10.591 116 HG3 LYS 13 3HG LYS 13 11.163 -14.787 -11.619 117 HD2 LYS 13 2HD LYS 13 12.047 -16.790 -12.095 118 HD3 LYS 13 3HD LYS 13 13.160 -15.894 -13.132 119 HE2 LYS 13 2HE LYS 13 13.813 -16.199 -10.240 120 HE3 LYS 13 3HE LYS 13 14.046 -17.578 -11.314 121 HZ1 LYS 13 3HZ LYS 13 15.147 -14.926 -11.997 122 HZ2 LYS 13 1HZ LYS 13 15.633 -16.451 -12.547 123 HZ3 LYS 13 2HZ LYS 13 15.985 -15.971 -10.964 124 H LEU 14 H LEU 14 10.364 -12.683 -12.424 125 HA LEU 14 HA LEU 14 9.913 -9.923 -13.346 126 HB2 LEU 14 2HB LEU 14 9.763 -11.428 -15.180 127 HB3 LEU 14 3HB LEU 14 8.745 -12.538 -14.265 128 HG LEU 14 HG LEU 14 7.304 -10.160 -14.318 129 HD11 LEU 14 1HD1 LEU 14 8.255 -9.011 -16.012 130 HD12 LEU 14 2HD1 LEU 14 7.273 -10.096 -16.996 131 HD13 LEU 14 3HD1 LEU 14 8.980 -10.449 -16.730 132 HD21 LEU 14 3HD2 LEU 14 6.106 -12.122 -14.481 133 HD22 LEU 14 1HD2 LEU 14 7.161 -12.789 -15.727 134 HD23 LEU 14 2HD2 LEU 14 6.012 -11.514 -16.135 135 H THR 15 H THR 15 7.358 -12.253 -13.001 136 HA THR 15 HA THR 15 6.418 -10.918 -10.556 137 HB THR 15 HB THR 15 4.983 -11.162 -13.161 138 HG1 THR 15 HG1 THR 15 5.600 -9.114 -12.648 139 HG21 THR 15 3HG2 THR 15 3.371 -10.811 -10.674 140 HG22 THR 15 1HG2 THR 15 3.782 -12.442 -11.203 141 HG23 THR 15 2HG2 THR 15 2.870 -11.373 -12.269 142 H HIS 16 H HIS 16 5.777 -13.613 -12.798 143 HA HIS 16 HA HIS 16 5.265 -15.314 -10.448 144 HB2 HIS 16 2HB HIS 16 3.752 -16.632 -12.056 145 HB3 HIS 16 3HB HIS 16 3.143 -15.100 -11.438 146 HD1 HIS 16 HD1 HIS 16 2.797 -13.199 -13.119 147 HD2 HIS 16 HD2 HIS 16 4.384 -16.648 -14.806 148 HE1 HIS 16 HE1 HIS 16 2.636 -12.866 -15.606 149 H ARG 17 H ARG 17 7.454 -14.700 -12.712 150 HA ARG 17 HA ARG 17 8.046 -16.937 -14.153 151 HB2 ARG 17 2HB ARG 17 9.532 -14.679 -13.117 152 HB3 ARG 17 3HB ARG 17 10.527 -16.128 -13.144 153 HG2 ARG 17 2HG ARG 17 10.700 -14.769 -15.199 154 HG3 ARG 17 3HG ARG 17 10.143 -16.418 -15.494 155 HD2 ARG 17 2HD ARG 17 8.019 -14.443 -15.010 156 HD3 ARG 17 3HD ARG 17 8.954 -14.191 -16.484 157 HE ARG 17 HE ARG 17 8.020 -16.893 -16.108 158 HH11 ARG 17 1HH1 ARG 17 7.309 -13.745 -17.414 159 HH12 ARG 17 2HH1 ARG 17 6.165 -14.340 -18.572 160 HH21 ARG 17 2HH2 ARG 17 5.714 -16.584 -18.691 161 HH22 ARG 17 1HH2 ARG 17 6.517 -17.689 -17.627 162 H LEU 18 H LEU 18 9.763 -16.337 -11.095 163 HA LEU 18 HA LEU 18 9.504 -19.207 -10.484 164 HB2 LEU 18 2HB LEU 18 11.757 -18.735 -11.257 165 HB3 LEU 18 3HB LEU 18 11.910 -17.437 -10.075 166 HG LEU 18 HG LEU 18 11.369 -19.565 -8.466 167 HD11 LEU 18 1HD1 LEU 18 13.118 -20.601 -10.692 168 HD12 LEU 18 2HD1 LEU 18 11.456 -21.105 -10.387 169 HD13 LEU 18 3HD1 LEU 18 12.711 -21.437 -9.193 170 HD21 LEU 18 3HD2 LEU 18 13.426 -19.142 -7.621 171 HD22 LEU 18 1HD2 LEU 18 13.317 -17.746 -8.694 172 HD23 LEU 18 2HD2 LEU 18 14.207 -19.181 -9.202 173 H PHE 19 H PHE 19 7.596 -17.833 -9.422 174 HA PHE 19 HA PHE 19 8.457 -17.172 -6.682 175 HB2 PHE 19 2HB PHE 19 5.937 -16.180 -8.017 176 HB3 PHE 19 3HB PHE 19 6.649 -15.618 -6.508 177 HD1 PHE 19 HD1 PHE 19 8.067 -13.787 -6.503 178 HD2 PHE 19 HD2 PHE 19 7.321 -15.839 -10.156 179 HE1 PHE 19 HE1 PHE 19 9.291 -12.040 -7.729 180 HE2 PHE 19 HE2 PHE 19 8.544 -14.096 -11.389 181 HZ PHE 19 HZ PHE 19 9.532 -12.194 -10.175 182 H ARG 20 H ARG 20 7.646 -19.776 -7.952 183 HA ARG 20 HA ARG 20 5.450 -20.415 -6.093 184 HB2 ARG 20 2HB ARG 20 4.807 -22.215 -7.721 185 HB3 ARG 20 3HB ARG 20 4.548 -20.575 -8.300 186 HG2 ARG 20 2HG ARG 20 6.746 -20.758 -9.499 187 HG3 ARG 20 3HG ARG 20 6.749 -22.471 -9.071 188 HD2 ARG 20 2HD ARG 20 4.208 -21.864 -10.162 189 HD3 ARG 20 3HD ARG 20 5.424 -21.165 -11.231 190 HE ARG 20 HE ARG 20 4.839 -23.933 -10.883 191 HH11 ARG 20 1HH1 ARG 20 7.399 -21.680 -11.584 192 HH12 ARG 20 2HH1 ARG 20 8.347 -22.831 -12.465 193 HH21 ARG 20 2HH2 ARG 20 7.595 -24.979 -12.726 194 HH22 ARG 20 1HH2 ARG 20 6.078 -25.458 -12.041 195 H ARG 21 H ARG 21 8.413 -21.498 -7.655 196 HA ARG 21 HA ARG 21 8.697 -24.048 -6.720 197 HB2 ARG 21 2HB ARG 21 10.821 -21.906 -6.910 198 HB3 ARG 21 3HB ARG 21 11.155 -23.620 -6.699 199 HG2 ARG 21 2HG ARG 21 9.778 -22.349 -9.055 200 HG3 ARG 21 3HG ARG 21 11.424 -22.984 -9.014 201 HD2 ARG 21 2HD ARG 21 9.816 -25.069 -8.096 202 HD3 ARG 21 3HD ARG 21 8.925 -24.364 -9.444 203 HE ARG 21 HE ARG 21 11.480 -24.631 -10.372 204 HH11 ARG 21 1HH1 ARG 21 9.117 -26.784 -8.993 205 HH12 ARG 21 2HH1 ARG 21 9.682 -28.171 -9.865 206 HH21 ARG 21 2HH2 ARG 21 11.454 -27.980 -11.304 207 HH22 ARG 21 1HH2 ARG 21 12.232 -26.449 -11.525 208 H ASN 22 H ASN 22 10.492 -21.474 -5.067 209 HA ASN 22 HA ASN 22 9.635 -22.622 -2.494 210 HB2 ASN 22 2HB ASN 22 12.394 -21.942 -3.458 211 HB3 ASN 22 3HB ASN 22 12.018 -21.853 -1.739 212 HD21 ASN 22 2HD2 ASN 22 12.954 -25.180 -1.525 213 HD22 ASN 22 1HD2 ASN 22 13.247 -23.538 -1.074 214 H PHE 23 H PHE 23 8.491 -20.384 -3.857 215 HA PHE 23 HA PHE 23 9.322 -18.169 -2.102 216 HB2 PHE 23 2HB PHE 23 8.329 -18.236 -4.918 217 HB3 PHE 23 3HB PHE 23 7.944 -16.835 -3.924 218 HD1 PHE 23 HD1 PHE 23 10.723 -18.845 -5.297 219 HD2 PHE 23 HD2 PHE 23 9.553 -15.179 -3.479 220 HE1 PHE 23 HE1 PHE 23 12.943 -17.901 -5.780 221 HE2 PHE 23 HE2 PHE 23 11.771 -14.229 -3.960 222 HZ PHE 23 HZ PHE 23 13.469 -15.590 -5.112 223 H GLY 24 H GLY 24 8.015 -18.257 -0.367 224 HA2 GLY 24 2HA GLY 24 5.306 -19.146 -0.478 225 HA3 GLY 24 3HA GLY 24 6.095 -18.386 0.897 226 H TYR 25 H TYR 25 4.575 -17.696 -2.227 227 HA TYR 25 HA TYR 25 4.310 -15.230 -2.731 228 HB2 TYR 25 2HB TYR 25 2.400 -17.237 -2.748 229 HB3 TYR 25 3HB TYR 25 1.619 -15.940 -1.850 230 HD1 TYR 25 HD1 TYR 25 1.515 -13.634 -2.935 231 HD2 TYR 25 HD2 TYR 25 2.532 -17.161 -5.087 232 HE1 TYR 25 HE1 TYR 25 0.970 -12.495 -5.046 233 HE2 TYR 25 HE2 TYR 25 1.991 -16.032 -7.204 234 HH TYR 25 HH TYR 25 1.788 -12.870 -7.603 235 H THR 26 H THR 26 5.330 -14.007 -1.072 236 HA THR 26 HA THR 26 4.077 -13.609 1.470 237 HB THR 26 HB THR 26 6.480 -13.331 1.276 238 HG1 THR 26 HG1 THR 26 6.612 -11.287 2.315 239 HG21 THR 26 3HG2 THR 26 5.896 -10.959 -0.499 240 HG22 THR 26 1HG2 THR 26 6.506 -12.513 -1.064 241 HG23 THR 26 2HG2 THR 26 7.485 -11.521 0.017 242 H LEU 27 H LEU 27 3.781 -12.183 -1.660 243 HA LEU 27 HA LEU 27 2.538 -9.753 -0.697 244 HB2 LEU 27 2HB LEU 27 2.010 -9.620 -3.271 245 HB3 LEU 27 3HB LEU 27 3.618 -9.271 -2.640 246 HG LEU 27 HG LEU 27 3.101 -12.064 -3.469 247 HD11 LEU 27 1HD1 LEU 27 3.134 -11.709 -5.755 248 HD12 LEU 27 2HD1 LEU 27 3.706 -10.049 -5.594 249 HD13 LEU 27 3HD1 LEU 27 2.038 -10.450 -5.188 250 HD21 LEU 27 3HD2 LEU 27 5.334 -12.135 -3.597 251 HD22 LEU 27 1HD2 LEU 27 5.287 -10.614 -2.704 252 HD23 LEU 27 2HD2 LEU 27 5.429 -10.600 -4.462 253 H ARG 28 H ARG 28 1.520 -12.840 -0.833 254 HA ARG 28 HA ARG 28 -0.916 -12.892 -2.126 255 HB2 ARG 28 2HB ARG 28 -1.521 -14.712 -0.695 256 HB3 ARG 28 3HB ARG 28 0.210 -14.819 -0.985 257 HG2 ARG 28 2HG ARG 28 0.617 -13.768 1.204 258 HG3 ARG 28 3HG ARG 28 -1.124 -13.748 1.492 259 HD2 ARG 28 2HD ARG 28 0.491 -16.236 0.953 260 HD3 ARG 28 3HD ARG 28 0.059 -15.658 2.562 261 HE ARG 28 HE ARG 28 -2.283 -15.880 1.051 262 HH11 ARG 28 1HH1 ARG 28 0.185 -17.915 2.426 263 HH12 ARG 28 2HH1 ARG 28 -0.867 -19.277 2.627 264 HH21 ARG 28 2HH2 ARG 28 -3.063 -19.135 1.991 265 HH22 ARG 28 1HH2 ARG 28 -3.677 -17.666 1.310 Start of MODEL 5 1 H1 LYS 1 H LYS 1 1.400 -1.074 2.595 2 HA LYS 1 HA LYS 1 0.169 -1.916 0.849 3 HB2 LYS 1 2HB LYS 1 1.343 0.299 -0.839 4 HB3 LYS 1 3HB LYS 1 -0.031 -0.719 -1.248 5 HG2 LYS 1 2HG LYS 1 -1.188 0.238 0.781 6 HG3 LYS 1 3HG LYS 1 0.129 1.411 0.864 7 HD2 LYS 1 2HD LYS 1 -1.203 1.076 -1.760 8 HD3 LYS 1 3HD LYS 1 -2.139 1.859 -0.485 9 HE2 LYS 1 2HE LYS 1 -1.098 3.740 -1.090 10 HE3 LYS 1 3HE LYS 1 0.320 3.074 -0.283 11 HZ1 LYS 1 3HZ LYS 1 -0.263 3.294 -3.135 12 HZ2 LYS 1 1HZ LYS 1 0.597 1.928 -2.629 13 HZ3 LYS 1 2HZ LYS 1 1.205 3.474 -2.314 14 H TYR 2 H TYR 2 2.457 -3.114 1.550 15 HA TYR 2 HA TYR 2 4.275 -3.428 -0.643 16 HB2 TYR 2 2HB TYR 2 4.926 -3.732 1.747 17 HB3 TYR 2 3HB TYR 2 3.940 -5.189 1.793 18 HD1 TYR 2 HD1 TYR 2 6.774 -3.669 -0.101 19 HD2 TYR 2 HD2 TYR 2 4.920 -7.233 1.299 20 HE1 TYR 2 HE1 TYR 2 8.688 -4.979 -0.920 21 HE2 TYR 2 HE2 TYR 2 6.828 -8.553 0.484 22 HH TYR 2 HH TYR 2 9.353 -7.124 -1.462 23 H GLU 3 H GLU 3 2.370 -3.866 -2.136 24 HA GLU 3 HA GLU 3 1.752 -6.747 -2.150 25 HB2 GLU 3 2HB GLU 3 0.173 -4.490 -3.397 26 HB3 GLU 3 3HB GLU 3 -0.255 -6.194 -3.445 27 HG2 GLU 3 2HG GLU 3 -0.447 -6.185 -0.989 28 HG3 GLU 3 3HG GLU 3 -0.105 -4.456 -0.993 29 H ILE 4 H ILE 4 1.812 -4.094 -4.534 30 HA ILE 4 HA ILE 4 3.646 -5.682 -6.180 31 HB ILE 4 HB ILE 4 1.402 -6.140 -7.043 32 HG12 ILE 4 2HG1 ILE 4 3.256 -4.454 -8.707 33 HG13 ILE 4 3HG1 ILE 4 3.049 -6.201 -8.722 34 HG21 ILE 4 1HG2 ILE 4 1.206 -3.165 -7.492 35 HG22 ILE 4 2HG2 ILE 4 0.020 -4.375 -7.978 36 HG23 ILE 4 3HG2 ILE 4 0.324 -4.077 -6.267 37 HD11 ILE 4 3HD1 ILE 4 1.297 -4.091 -9.912 38 HD12 ILE 4 1HD1 ILE 4 2.042 -5.489 -10.687 39 HD13 ILE 4 2HD1 ILE 4 0.687 -5.712 -9.580 40 H THR 5 H THR 5 2.120 -2.577 -5.522 41 HA THR 5 HA THR 5 3.117 -0.773 -7.164 42 HB THR 5 HB THR 5 2.035 0.049 -5.225 43 HG1 THR 5 HG1 THR 5 3.250 1.759 -5.458 44 HG21 THR 5 3HG2 THR 5 2.806 -0.205 -2.989 45 HG22 THR 5 1HG2 THR 5 4.359 -0.844 -3.525 46 HG23 THR 5 2HG2 THR 5 2.892 -1.801 -3.733 47 H THR 6 H THR 6 5.125 -2.244 -4.619 48 HA THR 6 HA THR 6 7.502 -1.470 -6.182 49 HB THR 6 HB THR 6 7.090 -0.320 -3.873 50 HG1 THR 6 HG1 THR 6 9.557 -1.558 -4.590 51 HG21 THR 6 3HG2 THR 6 7.961 -1.517 -1.969 52 HG22 THR 6 1HG2 THR 6 8.338 -2.918 -2.971 53 HG23 THR 6 2HG2 THR 6 6.658 -2.464 -2.686 54 H ILE 7 H ILE 7 5.684 -3.983 -4.860 55 HA ILE 7 HA ILE 7 7.553 -5.882 -4.099 56 HB ILE 7 HB ILE 7 4.793 -5.864 -4.598 57 HG12 ILE 7 2HG1 ILE 7 5.254 -8.369 -3.677 58 HG13 ILE 7 3HG1 ILE 7 6.800 -7.614 -3.306 59 HG21 ILE 7 1HG2 ILE 7 5.218 -6.746 -6.829 60 HG22 ILE 7 2HG2 ILE 7 6.155 -8.069 -6.138 61 HG23 ILE 7 3HG2 ILE 7 4.425 -7.954 -5.817 62 HD11 ILE 7 3HD1 ILE 7 5.817 -6.054 -1.870 63 HD12 ILE 7 1HD1 ILE 7 4.198 -6.376 -2.489 64 HD13 ILE 7 2HD1 ILE 7 5.020 -7.584 -1.500 65 H HIS 8 H HIS 8 6.439 -5.001 -7.328 66 HA HIS 8 HA HIS 8 7.573 -7.069 -8.798 67 HB2 HIS 8 2HB HIS 8 7.445 -5.606 -10.713 68 HB3 HIS 8 3HB HIS 8 6.033 -5.325 -9.699 69 HD1 HIS 8 HD1 HIS 8 7.666 -3.456 -7.652 70 HD2 HIS 8 HD2 HIS 8 7.413 -3.034 -11.778 71 HE1 HIS 8 HE1 HIS 8 8.155 -1.032 -8.112 72 H ASN 9 H ASN 9 9.063 -4.344 -7.252 73 HA ASN 9 HA ASN 9 11.505 -4.380 -8.710 74 HB2 ASN 9 2HB ASN 9 10.383 -2.655 -6.925 75 HB3 ASN 9 3HB ASN 9 11.603 -3.430 -5.919 76 HD21 ASN 9 2HD2 ASN 9 13.807 -1.014 -7.075 77 HD22 ASN 9 1HD2 ASN 9 12.923 -1.674 -5.746 78 H LEU 10 H LEU 10 10.345 -6.006 -5.820 79 HA LEU 10 HA LEU 10 12.943 -7.172 -5.270 80 HB2 LEU 10 2HB LEU 10 12.001 -6.929 -3.247 81 HB3 LEU 10 3HB LEU 10 10.363 -6.948 -3.898 82 HG LEU 10 HG LEU 10 11.864 -9.517 -3.754 83 HD11 LEU 10 1HD1 LEU 10 12.199 -9.347 -1.563 84 HD12 LEU 10 2HD1 LEU 10 10.446 -9.383 -1.377 85 HD13 LEU 10 3HD1 LEU 10 11.291 -7.838 -1.468 86 HD21 LEU 10 3HD2 LEU 10 9.067 -8.568 -3.890 87 HD22 LEU 10 1HD2 LEU 10 9.366 -10.025 -2.942 88 HD23 LEU 10 2HD2 LEU 10 9.832 -9.969 -4.643 89 H PHE 11 H PHE 11 10.046 -7.972 -6.958 90 HA PHE 11 HA PHE 11 9.881 -10.685 -6.916 91 HB2 PHE 11 2HB PHE 11 9.402 -8.645 -9.025 92 HB3 PHE 11 3HB PHE 11 9.447 -10.329 -9.535 93 HD1 PHE 11 HD1 PHE 11 7.019 -9.006 -10.030 94 HD2 PHE 11 HD2 PHE 11 8.377 -10.711 -6.374 95 HE1 PHE 11 HE1 PHE 11 4.687 -9.286 -9.299 96 HE2 PHE 11 HE2 PHE 11 6.047 -10.994 -5.637 97 HZ PHE 11 HZ PHE 11 4.198 -10.282 -7.100 98 H ARG 12 H ARG 12 11.229 -12.308 -7.293 99 HA ARG 12 HA ARG 12 13.872 -12.146 -7.899 100 HB2 ARG 12 2HB ARG 12 11.855 -14.269 -7.983 101 HB3 ARG 12 3HB ARG 12 13.212 -14.549 -9.066 102 HG2 ARG 12 2HG ARG 12 13.414 -13.999 -6.113 103 HG3 ARG 12 3HG ARG 12 13.561 -15.580 -6.882 104 HD2 ARG 12 2HD ARG 12 15.410 -14.334 -8.292 105 HD3 ARG 12 3HD ARG 12 15.447 -13.277 -6.881 106 HE ARG 12 HE ARG 12 15.587 -15.900 -5.964 107 HH11 ARG 12 1HH1 ARG 12 17.487 -13.699 -7.879 108 HH12 ARG 12 2HH1 ARG 12 19.001 -14.414 -7.435 109 HH21 ARG 12 2HH2 ARG 12 19.050 -16.207 -6.010 110 HH22 ARG 12 1HH2 ARG 12 17.575 -16.851 -5.372 111 H LYS 13 H LYS 13 11.618 -13.427 -10.338 112 HA LYS 13 HA LYS 13 13.299 -12.191 -12.411 113 HB2 LYS 13 2HB LYS 13 11.496 -14.024 -13.583 114 HB3 LYS 13 3HB LYS 13 13.237 -14.187 -13.403 115 HG2 LYS 13 2HG LYS 13 12.703 -15.045 -11.040 116 HG3 LYS 13 3HG LYS 13 11.058 -15.247 -11.648 117 HD2 LYS 13 2HD LYS 13 11.868 -17.303 -12.184 118 HD3 LYS 13 3HD LYS 13 12.378 -16.439 -13.636 119 HE2 LYS 13 2HE LYS 13 14.235 -16.397 -11.332 120 HE3 LYS 13 3HE LYS 13 14.036 -17.940 -12.161 121 HZ1 LYS 13 3HZ LYS 13 14.928 -15.369 -13.340 122 HZ2 LYS 13 1HZ LYS 13 14.525 -16.727 -14.264 123 HZ3 LYS 13 2HZ LYS 13 15.824 -16.795 -13.184 124 H LEU 14 H LEU 14 9.937 -13.322 -12.503 125 HA LEU 14 HA LEU 14 9.168 -10.666 -13.516 126 HB2 LEU 14 2HB LEU 14 8.875 -12.348 -15.195 127 HB3 LEU 14 3HB LEU 14 8.016 -13.393 -14.066 128 HG LEU 14 HG LEU 14 6.500 -11.070 -14.123 129 HD11 LEU 14 1HD1 LEU 14 6.551 -10.112 -16.132 130 HD12 LEU 14 2HD1 LEU 14 6.586 -11.666 -16.964 131 HD13 LEU 14 3HD1 LEU 14 8.085 -10.947 -16.377 132 HD21 LEU 14 3HD2 LEU 14 6.299 -13.855 -14.972 133 HD22 LEU 14 1HD2 LEU 14 5.254 -12.763 -15.882 134 HD23 LEU 14 2HD2 LEU 14 5.133 -12.838 -14.124 135 H THR 15 H THR 15 6.759 -13.007 -12.746 136 HA THR 15 HA THR 15 6.188 -11.706 -10.177 137 HB THR 15 HB THR 15 4.398 -11.811 -12.565 138 HG1 THR 15 HG1 THR 15 3.870 -9.733 -11.736 139 HG21 THR 15 3HG2 THR 15 3.139 -11.465 -9.888 140 HG22 THR 15 1HG2 THR 15 3.451 -13.103 -10.460 141 HG23 THR 15 2HG2 THR 15 2.430 -12.018 -11.405 142 H HIS 16 H HIS 16 5.521 -14.384 -12.387 143 HA HIS 16 HA HIS 16 5.058 -16.098 -10.040 144 HB2 HIS 16 2HB HIS 16 3.529 -16.111 -12.647 145 HB3 HIS 16 3HB HIS 16 3.424 -17.390 -11.441 146 HD1 HIS 16 HD1 HIS 16 1.874 -14.285 -12.411 147 HD2 HIS 16 HD2 HIS 16 2.447 -16.334 -8.842 148 HE1 HIS 16 HE1 HIS 16 0.208 -13.308 -10.801 149 H ARG 17 H ARG 17 7.411 -15.530 -11.809 150 HA ARG 17 HA ARG 17 7.813 -17.941 -13.332 151 HB2 ARG 17 2HB ARG 17 9.494 -15.539 -12.693 152 HB3 ARG 17 3HB ARG 17 10.224 -16.967 -13.414 153 HG2 ARG 17 2HG ARG 17 8.642 -16.798 -15.292 154 HG3 ARG 17 3HG ARG 17 7.985 -15.324 -14.578 155 HD2 ARG 17 2HD ARG 17 9.997 -14.145 -14.908 156 HD3 ARG 17 3HD ARG 17 10.904 -15.625 -15.222 157 HE ARG 17 HE ARG 17 9.041 -15.555 -17.205 158 HH11 ARG 17 1HH1 ARG 17 11.468 -13.339 -16.056 159 HH12 ARG 17 2HH1 ARG 17 11.730 -12.617 -17.609 160 HH21 ARG 17 2HH2 ARG 17 10.539 -13.341 -19.428 161 HH22 ARG 17 1HH2 ARG 17 9.376 -14.611 -19.255 162 H LEU 18 H LEU 18 9.923 -16.552 -10.829 163 HA LEU 18 HA LEU 18 10.600 -19.256 -9.963 164 HB2 LEU 18 2HB LEU 18 12.466 -17.828 -10.386 165 HB3 LEU 18 3HB LEU 18 11.794 -16.558 -9.365 166 HG LEU 18 HG LEU 18 12.262 -17.803 -7.383 167 HD11 LEU 18 1HD1 LEU 18 13.245 -20.029 -7.420 168 HD12 LEU 18 2HD1 LEU 18 13.154 -20.054 -9.181 169 HD13 LEU 18 3HD1 LEU 18 11.674 -20.023 -8.223 170 HD21 LEU 18 3HD2 LEU 18 14.776 -18.379 -8.816 171 HD22 LEU 18 1HD2 LEU 18 14.489 -17.434 -7.354 172 HD23 LEU 18 2HD2 LEU 18 14.172 -16.726 -8.938 173 H PHE 19 H PHE 19 8.117 -17.470 -9.294 174 HA PHE 19 HA PHE 19 8.293 -17.597 -6.371 175 HB2 PHE 19 2HB PHE 19 5.918 -16.489 -7.815 176 HB3 PHE 19 3HB PHE 19 6.604 -16.013 -6.265 177 HD1 PHE 19 HD1 PHE 19 8.142 -14.253 -6.112 178 HD2 PHE 19 HD2 PHE 19 7.130 -15.856 -9.923 179 HE1 PHE 19 HE1 PHE 19 9.323 -12.391 -7.205 180 HE2 PHE 19 HE2 PHE 19 8.310 -13.998 -11.022 181 HZ PHE 19 HZ PHE 19 9.409 -12.262 -9.663 182 H ARG 20 H ARG 20 7.759 -19.804 -8.499 183 HA ARG 20 HA ARG 20 5.469 -20.976 -7.067 184 HB2 ARG 20 2HB ARG 20 4.713 -22.022 -9.133 185 HB3 ARG 20 3HB ARG 20 4.774 -20.274 -9.321 186 HG2 ARG 20 2HG ARG 20 5.862 -20.701 -11.218 187 HG3 ARG 20 3HG ARG 20 7.253 -21.031 -10.184 188 HD2 ARG 20 2HD ARG 20 7.121 -23.270 -10.494 189 HD3 ARG 20 3HD ARG 20 5.360 -23.261 -10.573 190 HE ARG 20 HE ARG 20 6.234 -22.026 -12.878 191 HH11 ARG 20 1HH1 ARG 20 6.589 -25.144 -11.370 192 HH12 ARG 20 2HH1 ARG 20 6.757 -25.995 -12.870 193 HH21 ARG 20 2HH2 ARG 20 6.681 -24.852 -14.854 194 HH22 ARG 20 1HH2 ARG 20 6.454 -23.136 -14.859 195 H ARG 21 H ARG 21 8.611 -21.166 -7.257 196 HA ARG 21 HA ARG 21 8.818 -24.061 -7.645 197 HB2 ARG 21 2HB ARG 21 10.967 -21.965 -7.280 198 HB3 ARG 21 3HB ARG 21 11.260 -23.678 -7.552 199 HG2 ARG 21 2HG ARG 21 9.930 -21.766 -9.460 200 HG3 ARG 21 3HG ARG 21 11.553 -22.443 -9.604 201 HD2 ARG 21 2HD ARG 21 8.974 -24.008 -9.637 202 HD3 ARG 21 3HD ARG 21 9.956 -23.610 -11.046 203 HE ARG 21 HE ARG 21 10.411 -25.721 -9.179 204 HH11 ARG 21 1HH1 ARG 21 11.988 -23.480 -11.327 205 HH12 ARG 21 2HH1 ARG 21 13.381 -24.482 -11.561 206 HH21 ARG 21 2HH2 ARG 21 13.524 -26.513 -10.509 207 HH22 ARG 21 1HH2 ARG 21 12.241 -27.049 -9.478 208 H ASN 22 H ASN 22 10.052 -21.648 -5.319 209 HA ASN 22 HA ASN 22 9.744 -23.681 -3.208 210 HB2 ASN 22 2HB ASN 22 12.037 -22.158 -3.980 211 HB3 ASN 22 3HB ASN 22 11.552 -21.656 -2.363 212 HD21 ASN 22 2HD2 ASN 22 11.959 -25.010 -1.041 213 HD22 ASN 22 1HD2 ASN 22 10.765 -23.763 -1.077 214 H PHE 23 H PHE 23 10.141 -20.141 -3.425 215 HA PHE 23 HA PHE 23 8.306 -19.792 -1.204 216 HB2 PHE 23 2HB PHE 23 8.895 -17.382 -1.433 217 HB3 PHE 23 3HB PHE 23 10.298 -18.422 -1.206 218 HD1 PHE 23 HD1 PHE 23 8.745 -15.957 -3.269 219 HD2 PHE 23 HD2 PHE 23 11.639 -19.078 -3.257 220 HE1 PHE 23 HE1 PHE 23 9.760 -15.018 -5.304 221 HE2 PHE 23 HE2 PHE 23 12.660 -18.143 -5.291 222 HZ PHE 23 HZ PHE 23 11.721 -16.111 -6.317 223 H GLY 24 H GLY 24 6.295 -20.359 -2.015 224 HA2 GLY 24 2HA GLY 24 5.126 -19.783 -4.411 225 HA3 GLY 24 3HA GLY 24 4.232 -19.824 -2.898 226 H TYR 25 H TYR 25 3.805 -17.881 -1.796 227 HA TYR 25 HA TYR 25 4.394 -15.418 -3.288 228 HB2 TYR 25 2HB TYR 25 1.901 -16.607 -3.259 229 HB3 TYR 25 3HB TYR 25 1.778 -15.404 -1.980 230 HD1 TYR 25 HD1 TYR 25 2.890 -15.744 -5.528 231 HD2 TYR 25 HD2 TYR 25 1.216 -13.225 -2.535 232 HE1 TYR 25 HE1 TYR 25 2.515 -13.996 -7.217 233 HE2 TYR 25 HE2 TYR 25 0.835 -11.471 -4.216 234 HH TYR 25 HH TYR 25 0.591 -11.788 -7.184 235 H THR 26 H THR 26 5.891 -14.675 -1.839 236 HA THR 26 HA THR 26 5.436 -14.700 0.993 237 HB THR 26 HB THR 26 7.709 -14.697 -0.267 238 HG1 THR 26 HG1 THR 26 8.180 -14.560 1.790 239 HG21 THR 26 3HG2 THR 26 7.737 -11.770 0.157 240 HG22 THR 26 1HG2 THR 26 6.874 -12.346 -1.268 241 HG23 THR 26 2HG2 THR 26 8.577 -12.749 -1.045 242 H LEU 27 H LEU 27 4.558 -12.630 -1.577 243 HA LEU 27 HA LEU 27 4.487 -10.149 -0.237 244 HB2 LEU 27 2HB LEU 27 2.408 -10.657 -2.258 245 HB3 LEU 27 3HB LEU 27 3.569 -9.337 -2.130 246 HG LEU 27 HG LEU 27 4.108 -12.092 -3.237 247 HD11 LEU 27 1HD1 LEU 27 2.828 -10.037 -4.466 248 HD12 LEU 27 2HD1 LEU 27 3.782 -11.267 -5.294 249 HD13 LEU 27 3HD1 LEU 27 4.507 -9.709 -4.896 250 HD21 LEU 27 3HD2 LEU 27 6.282 -11.702 -3.019 251 HD22 LEU 27 1HD2 LEU 27 5.895 -10.273 -2.061 252 HD23 LEU 27 2HD2 LEU 27 6.121 -10.131 -3.805 253 H ARG 28 H ARG 28 2.013 -12.652 -0.710 254 HA ARG 28 HA ARG 28 0.021 -11.241 0.781 255 HB2 ARG 28 2HB ARG 28 -0.496 -12.904 -1.002 256 HB3 ARG 28 3HB ARG 28 0.109 -14.173 0.055 257 HG2 ARG 28 2HG ARG 28 -2.338 -14.021 0.068 258 HG3 ARG 28 3HG ARG 28 -1.638 -13.721 1.660 259 HD2 ARG 28 2HD ARG 28 -2.538 -11.688 1.749 260 HD3 ARG 28 3HD ARG 28 -1.881 -11.268 0.168 261 HE ARG 28 HE ARG 28 -4.064 -12.897 -0.302 262 HH11 ARG 28 1HH1 ARG 28 -3.444 -9.816 1.197 263 HH12 ARG 28 2HH1 ARG 28 -5.008 -9.172 0.821 264 HH21 ARG 28 2HH2 ARG 28 -6.532 -10.449 -0.317 265 HH22 ARG 28 1HH2 ARG 28 -6.125 -12.060 -0.803 Start of MODEL 6 1 H1 LYS 1 H LYS 1 0.709 -0.323 0.124 2 HA LYS 1 HA LYS 1 1.674 -0.443 -1.939 3 HB2 LYS 1 2HB LYS 1 3.843 1.118 -0.523 4 HB3 LYS 1 3HB LYS 1 3.633 1.012 -2.266 5 HG2 LYS 1 2HG LYS 1 1.371 2.041 -1.967 6 HG3 LYS 1 3HG LYS 1 1.794 2.315 -0.275 7 HD2 LYS 1 2HD LYS 1 3.926 3.437 -1.318 8 HD3 LYS 1 3HD LYS 1 2.893 3.584 -2.742 9 HE2 LYS 1 2HE LYS 1 1.813 4.432 -0.100 10 HE3 LYS 1 3HE LYS 1 2.986 5.475 -0.904 11 HZ1 LYS 1 3HZ LYS 1 1.558 5.570 -2.831 12 HZ2 LYS 1 1HZ LYS 1 0.692 6.055 -1.461 13 HZ3 LYS 1 2HZ LYS 1 0.449 4.513 -2.113 14 H TYR 2 H TYR 2 2.098 -2.738 -0.416 15 HA TYR 2 HA TYR 2 4.829 -3.516 -1.205 16 HB2 TYR 2 2HB TYR 2 4.224 -3.563 1.278 17 HB3 TYR 2 3HB TYR 2 3.169 -4.917 0.887 18 HD1 TYR 2 HD1 TYR 2 6.462 -3.948 1.782 19 HD2 TYR 2 HD2 TYR 2 4.272 -6.929 -0.320 20 HE1 TYR 2 HE1 TYR 2 8.372 -5.485 1.985 21 HE2 TYR 2 HE2 TYR 2 6.175 -8.475 -0.122 22 HH TYR 2 HH TYR 2 8.187 -8.713 1.550 23 H GLU 3 H GLU 3 1.448 -4.177 -1.471 24 HA GLU 3 HA GLU 3 1.232 -6.774 -2.212 25 HB2 GLU 3 2HB GLU 3 -0.057 -4.337 -3.426 26 HB3 GLU 3 3HB GLU 3 -0.491 -5.967 -3.921 27 HG2 GLU 3 2HG GLU 3 -0.527 -5.445 -1.022 28 HG3 GLU 3 3HG GLU 3 -1.747 -4.609 -1.981 29 H ILE 4 H ILE 4 1.359 -4.425 -4.856 30 HA ILE 4 HA ILE 4 3.434 -6.049 -6.158 31 HB ILE 4 HB ILE 4 1.189 -6.665 -7.055 32 HG12 ILE 4 2HG1 ILE 4 3.238 -5.359 -8.836 33 HG13 ILE 4 3HG1 ILE 4 3.017 -7.073 -8.500 34 HG21 ILE 4 1HG2 ILE 4 1.160 -3.856 -8.148 35 HG22 ILE 4 2HG2 ILE 4 -0.059 -5.105 -8.393 36 HG23 ILE 4 3HG2 ILE 4 0.183 -4.413 -6.790 37 HD11 ILE 4 3HD1 ILE 4 1.486 -5.286 -10.324 38 HD12 ILE 4 1HD1 ILE 4 2.163 -6.887 -10.619 39 HD13 ILE 4 2HD1 ILE 4 0.708 -6.712 -9.638 40 H THR 5 H THR 5 1.807 -2.976 -5.793 41 HA THR 5 HA THR 5 2.905 -1.356 -7.663 42 HB THR 5 HB THR 5 1.392 -0.644 -5.776 43 HG1 THR 5 HG1 THR 5 1.948 1.370 -6.230 44 HG21 THR 5 3HG2 THR 5 4.002 -0.333 -4.289 45 HG22 THR 5 1HG2 THR 5 2.771 -1.545 -3.936 46 HG23 THR 5 2HG2 THR 5 2.409 0.168 -3.724 47 H THR 6 H THR 6 4.549 -2.736 -4.888 48 HA THR 6 HA THR 6 7.072 -1.573 -5.876 49 HB THR 6 HB THR 6 6.112 -0.906 -3.504 50 HG1 THR 6 HG1 THR 6 8.081 -0.144 -3.301 51 HG21 THR 6 3HG2 THR 6 6.865 -2.301 -1.713 52 HG22 THR 6 1HG2 THR 6 7.687 -3.389 -2.830 53 HG23 THR 6 2HG2 THR 6 5.925 -3.312 -2.811 54 H ILE 7 H ILE 7 5.349 -4.403 -4.916 55 HA ILE 7 HA ILE 7 7.345 -6.202 -4.303 56 HB ILE 7 HB ILE 7 4.652 -6.404 -4.752 57 HG12 ILE 7 2HG1 ILE 7 4.922 -8.754 -4.092 58 HG13 ILE 7 3HG1 ILE 7 6.633 -8.678 -4.497 59 HG21 ILE 7 1HG2 ILE 7 5.023 -6.663 -7.165 60 HG22 ILE 7 2HG2 ILE 7 6.023 -8.080 -6.849 61 HG23 ILE 7 3HG2 ILE 7 4.306 -8.106 -6.449 62 HD11 ILE 7 3HD1 ILE 7 6.132 -6.577 -2.697 63 HD12 ILE 7 1HD1 ILE 7 5.332 -8.012 -2.055 64 HD13 ILE 7 2HD1 ILE 7 7.057 -8.053 -2.424 65 H HIS 8 H HIS 8 6.252 -5.129 -7.488 66 HA HIS 8 HA HIS 8 7.590 -6.892 -9.127 67 HB2 HIS 8 2HB HIS 8 7.475 -5.223 -10.849 68 HB3 HIS 8 3HB HIS 8 6.025 -5.073 -9.860 69 HD1 HIS 8 HD1 HIS 8 7.514 -3.424 -7.555 70 HD2 HIS 8 HD2 HIS 8 7.490 -2.556 -11.619 71 HE1 HIS 8 HE1 HIS 8 7.996 -0.961 -7.720 72 H ASN 9 H ASN 9 8.890 -4.381 -7.132 73 HA ASN 9 HA ASN 9 11.444 -4.284 -8.463 74 HB2 ASN 9 2HB ASN 9 10.109 -2.585 -6.759 75 HB3 ASN 9 3HB ASN 9 11.341 -3.280 -5.709 76 HD21 ASN 9 2HD2 ASN 9 12.311 -0.657 -8.636 77 HD22 ASN 9 1HD2 ASN 9 10.711 -1.287 -8.465 78 H LEU 10 H LEU 10 10.053 -5.882 -5.662 79 HA LEU 10 HA LEU 10 12.599 -6.964 -4.814 80 HB2 LEU 10 2HB LEU 10 11.412 -6.789 -2.921 81 HB3 LEU 10 3HB LEU 10 9.869 -6.834 -3.772 82 HG LEU 10 HG LEU 10 11.410 -9.367 -3.444 83 HD11 LEU 10 1HD1 LEU 10 9.536 -9.039 -1.305 84 HD12 LEU 10 2HD1 LEU 10 10.741 -7.753 -1.248 85 HD13 LEU 10 3HD1 LEU 10 11.252 -9.440 -1.236 86 HD21 LEU 10 3HD2 LEU 10 8.694 -8.503 -4.111 87 HD22 LEU 10 1HD2 LEU 10 8.768 -9.845 -2.969 88 HD23 LEU 10 2HD2 LEU 10 9.556 -9.981 -4.541 89 H PHE 11 H PHE 11 9.941 -7.899 -6.816 90 HA PHE 11 HA PHE 11 9.907 -10.611 -6.798 91 HB2 PHE 11 2HB PHE 11 9.594 -8.591 -8.958 92 HB3 PHE 11 3HB PHE 11 9.767 -10.273 -9.449 93 HD1 PHE 11 HD1 PHE 11 8.365 -11.017 -6.614 94 HD2 PHE 11 HD2 PHE 11 7.346 -8.727 -10.054 95 HE1 PHE 11 HE1 PHE 11 5.978 -11.396 -6.154 96 HE2 PHE 11 HE2 PHE 11 4.957 -9.102 -9.600 97 HZ PHE 11 HZ PHE 11 4.270 -10.437 -7.647 98 H ARG 12 H ARG 12 11.360 -12.172 -7.011 99 HA ARG 12 HA ARG 12 14.048 -11.883 -7.302 100 HB2 ARG 12 2HB ARG 12 12.487 -14.239 -8.374 101 HB3 ARG 12 3HB ARG 12 14.169 -14.237 -7.858 102 HG2 ARG 12 2HG ARG 12 11.682 -14.217 -6.232 103 HG3 ARG 12 3HG ARG 12 13.165 -15.151 -6.024 104 HD2 ARG 12 2HD ARG 12 14.251 -12.854 -5.525 105 HD3 ARG 12 3HD ARG 12 12.593 -12.312 -5.264 106 HE ARG 12 HE ARG 12 13.118 -14.679 -3.798 107 HH11 ARG 12 1HH1 ARG 12 13.757 -11.257 -3.819 108 HH12 ARG 12 2HH1 ARG 12 13.951 -11.150 -2.101 109 HH21 ARG 12 2HH2 ARG 12 13.732 -13.025 -0.802 110 HH22 ARG 12 1HH2 ARG 12 13.371 -14.551 -1.534 111 H LYS 13 H LYS 13 11.968 -13.024 -9.970 112 HA LYS 13 HA LYS 13 13.910 -11.853 -11.851 113 HB2 LYS 13 2HB LYS 13 12.215 -13.636 -13.232 114 HB3 LYS 13 3HB LYS 13 13.922 -13.842 -12.860 115 HG2 LYS 13 2HG LYS 13 12.982 -14.645 -10.540 116 HG3 LYS 13 3HG LYS 13 11.531 -14.962 -11.495 117 HD2 LYS 13 2HD LYS 13 12.814 -16.966 -11.484 118 HD3 LYS 13 3HD LYS 13 12.987 -16.251 -13.088 119 HE2 LYS 13 2HE LYS 13 15.121 -17.094 -12.180 120 HE3 LYS 13 3HE LYS 13 15.153 -15.361 -12.502 121 HZ1 LYS 13 3HZ LYS 13 14.304 -15.913 -9.841 122 HZ2 LYS 13 1HZ LYS 13 15.579 -14.941 -10.379 123 HZ3 LYS 13 2HZ LYS 13 15.819 -16.599 -10.148 124 H LEU 14 H LEU 14 10.594 -12.954 -12.401 125 HA LEU 14 HA LEU 14 9.952 -10.255 -13.386 126 HB2 LEU 14 2HB LEU 14 9.850 -11.867 -15.147 127 HB3 LEU 14 3HB LEU 14 8.876 -12.958 -14.163 128 HG LEU 14 HG LEU 14 7.341 -10.664 -14.290 129 HD11 LEU 14 1HD1 LEU 14 7.649 -9.558 -16.193 130 HD12 LEU 14 2HD1 LEU 14 7.766 -11.049 -17.127 131 HD13 LEU 14 3HD1 LEU 14 9.196 -10.394 -16.328 132 HD21 LEU 14 3HD2 LEU 14 6.360 -12.248 -16.299 133 HD22 LEU 14 1HD2 LEU 14 6.025 -12.448 -14.579 134 HD23 LEU 14 2HD2 LEU 14 7.309 -13.387 -15.341 135 H THR 15 H THR 15 7.494 -12.648 -12.942 136 HA THR 15 HA THR 15 6.589 -11.346 -10.467 137 HB THR 15 HB THR 15 5.119 -11.545 -13.048 138 HG1 THR 15 HG1 THR 15 5.381 -9.481 -12.605 139 HG21 THR 15 3HG2 THR 15 3.516 -11.371 -10.535 140 HG22 THR 15 1HG2 THR 15 3.974 -12.958 -11.153 141 HG23 THR 15 2HG2 THR 15 3.018 -11.864 -12.154 142 H HIS 16 H HIS 16 6.036 -14.048 -12.715 143 HA HIS 16 HA HIS 16 5.590 -15.779 -10.376 144 HB2 HIS 16 2HB HIS 16 4.117 -17.073 -12.197 145 HB3 HIS 16 3HB HIS 16 3.443 -15.827 -11.151 146 HD1 HIS 16 HD1 HIS 16 5.208 -15.821 -14.534 147 HD2 HIS 16 HD2 HIS 16 1.950 -14.118 -12.598 148 HE1 HIS 16 HE1 HIS 16 4.109 -14.339 -16.244 149 H ARG 17 H ARG 17 7.882 -15.140 -12.306 150 HA ARG 17 HA ARG 17 8.448 -17.228 -14.011 151 HB2 ARG 17 2HB ARG 17 9.922 -15.120 -12.722 152 HB3 ARG 17 3HB ARG 17 10.882 -16.594 -12.733 153 HG2 ARG 17 2HG ARG 17 11.285 -15.155 -14.691 154 HG3 ARG 17 3HG ARG 17 10.693 -16.760 -15.124 155 HD2 ARG 17 2HD ARG 17 8.539 -14.854 -14.721 156 HD3 ARG 17 3HD ARG 17 9.663 -14.339 -15.978 157 HE ARG 17 HE ARG 17 8.800 -17.081 -16.197 158 HH11 ARG 17 1HH1 ARG 17 8.152 -13.770 -17.054 159 HH12 ARG 17 2HH1 ARG 17 7.211 -14.179 -18.451 160 HH21 ARG 17 2HH2 ARG 17 6.876 -16.376 -19.005 161 HH22 ARG 17 1HH2 ARG 17 7.563 -17.633 -18.032 162 H LEU 18 H LEU 18 9.983 -17.009 -10.806 163 HA LEU 18 HA LEU 18 9.620 -19.919 -10.530 164 HB2 LEU 18 2HB LEU 18 11.786 -20.242 -9.875 165 HB3 LEU 18 3HB LEU 18 11.988 -18.953 -11.060 166 HG LEU 18 HG LEU 18 12.128 -18.762 -8.062 167 HD11 LEU 18 1HD1 LEU 18 14.322 -17.690 -8.660 168 HD12 LEU 18 2HD1 LEU 18 14.041 -18.217 -10.319 169 HD13 LEU 18 3HD1 LEU 18 14.193 -19.410 -9.030 170 HD21 LEU 18 3HD2 LEU 18 10.978 -16.819 -8.437 171 HD22 LEU 18 1HD2 LEU 18 11.571 -16.656 -10.090 172 HD23 LEU 18 2HD2 LEU 18 12.628 -16.267 -8.733 173 H PHE 19 H PHE 19 8.029 -17.667 -9.496 174 HA PHE 19 HA PHE 19 8.594 -17.569 -6.662 175 HB2 PHE 19 2HB PHE 19 6.139 -16.544 -8.092 176 HB3 PHE 19 3HB PHE 19 6.731 -16.062 -6.506 177 HD1 PHE 19 HD1 PHE 19 7.544 -15.985 -10.119 178 HD2 PHE 19 HD2 PHE 19 8.236 -14.292 -6.276 179 HE1 PHE 19 HE1 PHE 19 8.823 -14.158 -11.159 180 HE2 PHE 19 HE2 PHE 19 9.514 -12.461 -7.309 181 HZ PHE 19 HZ PHE 19 9.808 -12.392 -9.753 182 H ARG 20 H ARG 20 7.562 -20.000 -8.396 183 HA ARG 20 HA ARG 20 5.580 -20.867 -6.397 184 HB2 ARG 20 2HB ARG 20 4.404 -22.111 -8.100 185 HB3 ARG 20 3HB ARG 20 4.546 -20.435 -8.613 186 HG2 ARG 20 2HG ARG 20 6.785 -21.600 -9.698 187 HG3 ARG 20 3HG ARG 20 5.559 -22.861 -9.851 188 HD2 ARG 20 2HD ARG 20 4.079 -20.884 -10.726 189 HD3 ARG 20 3HD ARG 20 5.640 -20.129 -11.048 190 HE ARG 20 HE ARG 20 5.942 -21.581 -12.791 191 HH11 ARG 20 1HH1 ARG 20 3.376 -22.760 -10.755 192 HH12 ARG 20 2HH1 ARG 20 2.918 -24.028 -11.844 193 HH21 ARG 20 2HH2 ARG 20 4.042 -24.303 -13.822 194 HH22 ARG 20 1HH2 ARG 20 5.349 -23.246 -14.233 195 H ARG 21 H ARG 21 8.636 -21.247 -7.215 196 HA ARG 21 HA ARG 21 8.786 -24.132 -7.361 197 HB2 ARG 21 2HB ARG 21 10.972 -22.064 -7.059 198 HB3 ARG 21 3HB ARG 21 11.223 -23.777 -7.367 199 HG2 ARG 21 2HG ARG 21 9.861 -21.813 -9.198 200 HG3 ARG 21 3HG ARG 21 11.468 -22.512 -9.408 201 HD2 ARG 21 2HD ARG 21 9.875 -24.728 -9.107 202 HD3 ARG 21 3HD ARG 21 8.840 -23.627 -10.015 203 HE ARG 21 HE ARG 21 11.208 -24.951 -10.956 204 HH11 ARG 21 1HH1 ARG 21 9.107 -22.208 -11.379 205 HH12 ARG 21 2HH1 ARG 21 9.540 -21.967 -13.039 206 HH21 ARG 21 2HH2 ARG 21 11.063 -23.355 -14.041 207 HH22 ARG 21 1HH2 ARG 21 11.786 -24.645 -13.142 208 H ASN 22 H ASN 22 9.899 -21.646 -5.059 209 HA ASN 22 HA ASN 22 9.719 -23.680 -2.935 210 HB2 ASN 22 2HB ASN 22 11.961 -22.043 -3.737 211 HB3 ASN 22 3HB ASN 22 11.517 -21.703 -2.067 212 HD21 ASN 22 2HD2 ASN 22 12.364 -24.915 -0.864 213 HD22 ASN 22 1HD2 ASN 22 11.312 -23.565 -0.625 214 H PHE 23 H PHE 23 9.957 -20.140 -3.331 215 HA PHE 23 HA PHE 23 8.236 -19.762 -1.017 216 HB2 PHE 23 2HB PHE 23 8.693 -17.308 -1.494 217 HB3 PHE 23 3HB PHE 23 10.094 -18.285 -1.068 218 HD1 PHE 23 HD1 PHE 23 8.610 -16.131 -3.509 219 HD2 PHE 23 HD2 PHE 23 11.592 -19.111 -2.925 220 HE1 PHE 23 HE1 PHE 23 9.734 -15.406 -5.574 221 HE2 PHE 23 HE2 PHE 23 12.722 -18.390 -4.989 222 HZ PHE 23 HZ PHE 23 11.793 -16.535 -6.316 223 H GLY 24 H GLY 24 6.181 -20.330 -1.615 224 HA2 GLY 24 2HA GLY 24 4.859 -20.004 -3.973 225 HA3 GLY 24 3HA GLY 24 4.066 -19.868 -2.411 226 H TYR 25 H TYR 25 3.662 -17.825 -1.533 227 HA TYR 25 HA TYR 25 4.243 -15.523 -3.259 228 HB2 TYR 25 2HB TYR 25 1.747 -16.705 -3.165 229 HB3 TYR 25 3HB TYR 25 1.602 -15.385 -2.011 230 HD1 TYR 25 HD1 TYR 25 0.990 -13.299 -2.796 231 HD2 TYR 25 HD2 TYR 25 2.844 -16.037 -5.474 232 HE1 TYR 25 HE1 TYR 25 0.646 -11.714 -4.645 233 HE2 TYR 25 HE2 TYR 25 2.506 -14.459 -7.330 234 HH TYR 25 HH TYR 25 2.032 -11.419 -7.098 235 H THR 26 H THR 26 5.686 -14.596 -1.880 236 HA THR 26 HA THR 26 5.133 -14.342 0.940 237 HB THR 26 HB THR 26 7.459 -14.545 -0.278 238 HG1 THR 26 HG1 THR 26 8.220 -14.070 1.663 239 HG21 THR 26 3HG2 THR 26 7.308 -11.555 -0.014 240 HG22 THR 26 1HG2 THR 26 6.953 -12.366 -1.539 241 HG23 THR 26 2HG2 THR 26 8.547 -12.532 -0.801 242 H LEU 27 H LEU 27 4.241 -12.645 -1.814 243 HA LEU 27 HA LEU 27 4.314 -9.982 -0.812 244 HB2 LEU 27 2HB LEU 27 2.246 -10.608 -2.793 245 HB3 LEU 27 3HB LEU 27 3.517 -9.388 -2.825 246 HG LEU 27 HG LEU 27 3.794 -12.298 -3.568 247 HD11 LEU 27 1HD1 LEU 27 2.700 -10.419 -5.091 248 HD12 LEU 27 2HD1 LEU 27 3.752 -11.671 -5.750 249 HD13 LEU 27 3HD1 LEU 27 4.396 -10.063 -5.419 250 HD21 LEU 27 3HD2 LEU 27 6.026 -10.686 -4.316 251 HD22 LEU 27 1HD2 LEU 27 5.986 -12.119 -3.288 252 HD23 LEU 27 2HD2 LEU 27 5.751 -10.520 -2.581 253 H ARG 28 H ARG 28 2.271 -12.652 -0.237 254 HA ARG 28 HA ARG 28 -0.151 -11.313 0.334 255 HB2 ARG 28 2HB ARG 28 -0.856 -13.353 1.379 256 HB3 ARG 28 3HB ARG 28 0.089 -13.773 -0.044 257 HG2 ARG 28 2HG ARG 28 2.067 -13.985 1.576 258 HG3 ARG 28 3HG ARG 28 0.839 -14.008 2.844 259 HD2 ARG 28 2HD ARG 28 0.920 -15.883 0.484 260 HD3 ARG 28 3HD ARG 28 1.523 -16.268 2.096 261 HE ARG 28 HE ARG 28 -1.032 -15.533 2.565 262 HH11 ARG 28 1HH1 ARG 28 0.426 -17.792 0.353 263 HH12 ARG 28 2HH1 ARG 28 -0.938 -18.859 0.339 264 HH21 ARG 28 2HH2 ARG 28 -2.793 -18.368 1.591 265 HH22 ARG 28 1HH2 ARG 28 -2.835 -16.931 2.555 Start of MODEL 7 1 H1 LYS 1 H LYS 1 0.046 -1.628 0.266 2 HA LYS 1 HA LYS 1 1.568 -0.592 -1.132 3 HB2 LYS 1 2HB LYS 1 2.234 0.563 1.344 4 HB3 LYS 1 3HB LYS 1 3.742 -0.065 0.692 5 HG2 LYS 1 2HG LYS 1 2.900 1.139 -1.496 6 HG3 LYS 1 3HG LYS 1 1.982 2.097 -0.332 7 HD2 LYS 1 2HD LYS 1 4.946 1.626 -0.092 8 HD3 LYS 1 3HD LYS 1 4.259 2.999 -0.963 9 HE2 LYS 1 2HE LYS 1 2.961 2.895 1.532 10 HE3 LYS 1 3HE LYS 1 4.678 2.659 1.852 11 HZ1 LYS 1 3HZ LYS 1 4.907 4.670 0.236 12 HZ2 LYS 1 1HZ LYS 1 4.526 4.926 1.864 13 HZ3 LYS 1 2HZ LYS 1 3.308 4.980 0.692 14 H TYR 2 H TYR 2 1.463 -3.387 -0.143 15 HA TYR 2 HA TYR 2 4.238 -4.170 -0.754 16 HB2 TYR 2 2HB TYR 2 3.228 -4.753 1.553 17 HB3 TYR 2 3HB TYR 2 2.277 -5.947 0.677 18 HD1 TYR 2 HD1 TYR 2 3.630 -7.591 -0.833 19 HD2 TYR 2 HD2 TYR 2 5.332 -5.330 2.343 20 HE1 TYR 2 HE1 TYR 2 5.507 -9.177 -0.718 21 HE2 TYR 2 HE2 TYR 2 7.214 -6.908 2.467 22 HH TYR 2 HH TYR 2 7.186 -9.916 1.054 23 H GLU 3 H GLU 3 0.890 -4.497 -1.560 24 HA GLU 3 HA GLU 3 0.648 -6.809 -2.939 25 HB2 GLU 3 2HB GLU 3 -0.371 -4.054 -3.539 26 HB3 GLU 3 3HB GLU 3 -0.708 -5.374 -4.649 27 HG2 GLU 3 2HG GLU 3 -1.277 -5.887 -1.803 28 HG3 GLU 3 3HG GLU 3 -2.305 -4.705 -2.610 29 H ILE 4 H ILE 4 1.384 -3.874 -4.802 30 HA ILE 4 HA ILE 4 3.428 -5.384 -6.278 31 HB ILE 4 HB ILE 4 1.333 -5.380 -7.592 32 HG12 ILE 4 2HG1 ILE 4 3.747 -3.890 -8.586 33 HG13 ILE 4 3HG1 ILE 4 3.261 -5.549 -8.918 34 HG21 ILE 4 1HG2 ILE 4 0.796 -2.987 -6.619 35 HG22 ILE 4 2HG2 ILE 4 1.604 -2.464 -8.096 36 HG23 ILE 4 3HG2 ILE 4 0.180 -3.500 -8.190 37 HD11 ILE 4 3HD1 ILE 4 2.848 -4.423 -10.904 38 HD12 ILE 4 1HD1 ILE 4 1.264 -4.511 -10.134 39 HD13 ILE 4 2HD1 ILE 4 2.189 -3.010 -10.078 40 H THR 5 H THR 5 2.137 -2.297 -5.241 41 HA THR 5 HA THR 5 3.706 -0.428 -6.390 42 HB THR 5 HB THR 5 3.520 0.936 -4.434 43 HG1 THR 5 HG1 THR 5 3.203 -1.542 -3.086 44 HG21 THR 5 3HG2 THR 5 1.179 0.826 -3.981 45 HG22 THR 5 1HG2 THR 5 1.120 -0.889 -4.383 46 HG23 THR 5 2HG2 THR 5 1.409 0.304 -5.649 47 H THR 6 H THR 6 4.715 -2.708 -3.903 48 HA THR 6 HA THR 6 7.487 -1.761 -4.245 49 HB THR 6 HB THR 6 5.988 -2.583 -1.821 50 HG1 THR 6 HG1 THR 6 6.940 -0.809 -1.076 51 HG21 THR 6 3HG2 THR 6 8.870 -3.325 -2.307 52 HG22 THR 6 1HG2 THR 6 7.544 -4.395 -1.853 53 HG23 THR 6 2HG2 THR 6 8.153 -3.206 -0.700 54 H ILE 7 H ILE 7 5.311 -4.445 -4.337 55 HA ILE 7 HA ILE 7 6.975 -6.628 -4.079 56 HB ILE 7 HB ILE 7 4.362 -6.256 -4.877 57 HG12 ILE 7 2HG1 ILE 7 4.235 -8.715 -4.814 58 HG13 ILE 7 3HG1 ILE 7 5.988 -8.809 -4.933 59 HG21 ILE 7 1HG2 ILE 7 5.063 -6.007 -7.205 60 HG22 ILE 7 2HG2 ILE 7 5.859 -7.579 -7.135 61 HG23 ILE 7 3HG2 ILE 7 4.106 -7.471 -6.977 62 HD11 ILE 7 3HD1 ILE 7 4.310 -8.411 -2.622 63 HD12 ILE 7 1HD1 ILE 7 6.014 -8.854 -2.720 64 HD13 ILE 7 2HD1 ILE 7 5.540 -7.155 -2.760 65 H HIS 8 H HIS 8 6.493 -4.546 -6.889 66 HA HIS 8 HA HIS 8 7.836 -5.996 -8.824 67 HB2 HIS 8 2HB HIS 8 8.106 -3.940 -10.022 68 HB3 HIS 8 3HB HIS 8 6.572 -3.846 -9.161 69 HD1 HIS 8 HD1 HIS 8 7.908 -3.067 -6.372 70 HD2 HIS 8 HD2 HIS 8 8.556 -1.208 -10.030 71 HE1 HIS 8 HE1 HIS 8 8.693 -0.744 -5.816 72 H ASN 9 H ASN 9 9.096 -4.308 -6.081 73 HA ASN 9 HA ASN 9 11.819 -4.305 -7.083 74 HB2 ASN 9 2HB ASN 9 10.493 -2.700 -5.304 75 HB3 ASN 9 3HB ASN 9 11.400 -3.756 -4.224 76 HD21 ASN 9 2HD2 ASN 9 13.227 -0.664 -5.739 77 HD22 ASN 9 1HD2 ASN 9 11.529 -0.858 -5.487 78 H LEU 10 H LEU 10 9.812 -6.133 -4.867 79 HA LEU 10 HA LEU 10 12.054 -7.722 -3.931 80 HB2 LEU 10 2HB LEU 10 10.721 -7.789 -2.154 81 HB3 LEU 10 3HB LEU 10 9.344 -7.198 -3.082 82 HG LEU 10 HG LEU 10 10.157 -10.085 -3.185 83 HD11 LEU 10 1HD1 LEU 10 8.165 -10.221 -1.459 84 HD12 LEU 10 2HD1 LEU 10 8.766 -8.628 -1.002 85 HD13 LEU 10 3HD1 LEU 10 9.836 -10.027 -0.929 86 HD21 LEU 10 3HD2 LEU 10 7.501 -10.045 -3.403 87 HD22 LEU 10 1HD2 LEU 10 8.572 -9.835 -4.788 88 HD23 LEU 10 2HD2 LEU 10 7.847 -8.426 -4.013 89 H PHE 11 H PHE 11 9.776 -7.786 -6.460 90 HA PHE 11 HA PHE 11 9.185 -10.405 -6.919 91 HB2 PHE 11 2HB PHE 11 9.646 -8.057 -8.650 92 HB3 PHE 11 3HB PHE 11 9.758 -9.618 -9.455 93 HD1 PHE 11 HD1 PHE 11 7.669 -10.785 -7.330 94 HD2 PHE 11 HD2 PHE 11 7.707 -7.534 -10.077 95 HE1 PHE 11 HE1 PHE 11 5.215 -10.884 -7.476 96 HE2 PHE 11 HE2 PHE 11 5.253 -7.627 -10.226 97 HZ PHE 11 HZ PHE 11 4.004 -9.303 -8.925 98 H ARG 12 H ARG 12 10.478 -12.112 -6.729 99 HA ARG 12 HA ARG 12 13.213 -12.212 -6.802 100 HB2 ARG 12 2HB ARG 12 12.364 -14.187 -6.036 101 HB3 ARG 12 3HB ARG 12 11.057 -14.205 -7.212 102 HG2 ARG 12 2HG ARG 12 12.631 -16.034 -7.572 103 HG3 ARG 12 3HG ARG 12 12.594 -14.925 -8.945 104 HD2 ARG 12 2HD ARG 12 14.787 -14.633 -8.765 105 HD3 ARG 12 3HD ARG 12 14.567 -13.996 -7.136 106 HE ARG 12 HE ARG 12 14.518 -16.836 -7.146 107 HH11 ARG 12 1HH1 ARG 12 16.661 -14.100 -7.336 108 HH12 ARG 12 2HH1 ARG 12 18.019 -14.953 -6.680 109 HH21 ARG 12 2HH2 ARG 12 17.812 -17.155 -6.081 110 HH22 ARG 12 1HH2 ARG 12 16.298 -17.970 -6.282 111 H LYS 13 H LYS 13 11.124 -13.232 -9.512 112 HA LYS 13 HA LYS 13 13.352 -12.618 -11.336 113 HB2 LYS 13 2HB LYS 13 12.866 -14.900 -11.587 114 HB3 LYS 13 3HB LYS 13 11.131 -14.638 -11.463 115 HG2 LYS 13 2HG LYS 13 12.043 -15.212 -13.753 116 HG3 LYS 13 3HG LYS 13 10.989 -13.799 -13.649 117 HD2 LYS 13 2HD LYS 13 12.681 -12.336 -14.092 118 HD3 LYS 13 3HD LYS 13 13.907 -13.355 -13.333 119 HE2 LYS 13 2HE LYS 13 14.443 -13.491 -15.586 120 HE3 LYS 13 3HE LYS 13 13.482 -14.945 -15.324 121 HZ1 LYS 13 3HZ LYS 13 12.290 -14.231 -17.048 122 HZ2 LYS 13 1HZ LYS 13 12.936 -12.668 -16.985 123 HZ3 LYS 13 2HZ LYS 13 11.629 -13.084 -15.995 124 H LEU 14 H LEU 14 9.913 -13.054 -12.034 125 HA LEU 14 HA LEU 14 9.846 -10.293 -13.062 126 HB2 LEU 14 2HB LEU 14 9.829 -11.653 -14.970 127 HB3 LEU 14 3HB LEU 14 8.750 -12.831 -14.224 128 HG LEU 14 HG LEU 14 7.339 -10.388 -14.349 129 HD11 LEU 14 1HD1 LEU 14 8.408 -9.352 -16.047 130 HD12 LEU 14 2HD1 LEU 14 7.442 -10.456 -17.025 131 HD13 LEU 14 3HD1 LEU 14 9.122 -10.845 -16.656 132 HD21 LEU 14 3HD2 LEU 14 6.797 -12.444 -16.382 133 HD22 LEU 14 1HD2 LEU 14 5.730 -11.727 -15.175 134 HD23 LEU 14 2HD2 LEU 14 6.840 -13.018 -14.714 135 H THR 15 H THR 15 7.240 -12.662 -12.888 136 HA THR 15 HA THR 15 5.946 -11.035 -10.804 137 HB THR 15 HB THR 15 4.811 -11.932 -13.431 138 HG1 THR 15 HG1 THR 15 5.059 -9.829 -13.599 139 HG21 THR 15 3HG2 THR 15 2.863 -10.951 -11.466 140 HG22 THR 15 1HG2 THR 15 3.498 -12.559 -11.124 141 HG23 THR 15 2HG2 THR 15 2.713 -12.232 -12.669 142 H HIS 16 H HIS 16 5.326 -14.043 -12.626 143 HA HIS 16 HA HIS 16 5.053 -15.437 -10.047 144 HB2 HIS 16 2HB HIS 16 3.334 -16.888 -11.341 145 HB3 HIS 16 3HB HIS 16 2.827 -15.314 -10.736 146 HD1 HIS 16 HD1 HIS 16 4.763 -15.967 -13.925 147 HD2 HIS 16 HD2 HIS 16 1.041 -14.608 -12.676 148 HE1 HIS 16 HE1 HIS 16 3.610 -15.156 -16.008 149 H ARG 17 H ARG 17 7.004 -15.150 -12.533 150 HA ARG 17 HA ARG 17 7.382 -17.476 -13.869 151 HB2 ARG 17 2HB ARG 17 8.826 -15.479 -14.082 152 HB3 ARG 17 3HB ARG 17 9.583 -15.881 -12.547 153 HG2 ARG 17 2HG ARG 17 11.102 -16.958 -13.764 154 HG3 ARG 17 3HG ARG 17 9.867 -18.200 -13.982 155 HD2 ARG 17 2HD ARG 17 9.173 -16.426 -15.914 156 HD3 ARG 17 3HD ARG 17 10.924 -16.222 -15.882 157 HE ARG 17 HE ARG 17 11.161 -18.330 -16.766 158 HH11 ARG 17 1HH1 ARG 17 7.876 -17.865 -15.713 159 HH12 ARG 17 2HH1 ARG 17 7.294 -19.319 -16.455 160 HH21 ARG 17 2HH2 ARG 17 8.736 -20.672 -17.612 161 HH22 ARG 17 1HH2 ARG 17 10.408 -20.246 -17.748 162 H LEU 18 H LEU 18 9.466 -16.937 -11.055 163 HA LEU 18 HA LEU 18 8.908 -19.696 -10.193 164 HB2 LEU 18 2HB LEU 18 11.241 -19.978 -9.615 165 HB3 LEU 18 3HB LEU 18 11.069 -19.586 -11.325 166 HG LEU 18 HG LEU 18 11.606 -17.320 -9.501 167 HD11 LEU 18 1HD1 LEU 18 13.605 -19.495 -10.064 168 HD12 LEU 18 2HD1 LEU 18 13.121 -18.836 -8.501 169 HD13 LEU 18 3HD1 LEU 18 14.066 -17.851 -9.618 170 HD21 LEU 18 3HD2 LEU 18 12.393 -18.184 -12.263 171 HD22 LEU 18 1HD2 LEU 18 13.211 -16.854 -11.443 172 HD23 LEU 18 2HD2 LEU 18 11.479 -16.760 -11.765 173 H PHE 19 H PHE 19 7.416 -17.903 -9.020 174 HA PHE 19 HA PHE 19 8.768 -17.023 -6.571 175 HB2 PHE 19 2HB PHE 19 5.997 -16.336 -7.571 176 HB3 PHE 19 3HB PHE 19 6.811 -15.620 -6.184 177 HD1 PHE 19 HD1 PHE 19 7.108 -16.045 -9.862 178 HD2 PHE 19 HD2 PHE 19 8.104 -13.711 -6.444 179 HE1 PHE 19 HE1 PHE 19 8.067 -14.316 -11.326 180 HE2 PHE 19 HE2 PHE 19 9.063 -11.978 -7.903 181 HZ PHE 19 HZ PHE 19 9.046 -12.279 -10.347 182 H ARG 20 H ARG 20 7.879 -19.818 -7.278 183 HA ARG 20 HA ARG 20 6.357 -20.295 -4.810 184 HB2 ARG 20 2HB ARG 20 4.950 -21.907 -5.857 185 HB3 ARG 20 3HB ARG 20 4.896 -20.461 -6.856 186 HG2 ARG 20 2HG ARG 20 6.888 -21.756 -8.084 187 HG3 ARG 20 3HG ARG 20 5.991 -23.135 -7.446 188 HD2 ARG 20 2HD ARG 20 4.374 -21.032 -8.731 189 HD3 ARG 20 3HD ARG 20 5.445 -21.937 -9.801 190 HE ARG 20 HE ARG 20 4.153 -23.839 -8.312 191 HH11 ARG 20 1HH1 ARG 20 3.185 -21.248 -10.426 192 HH12 ARG 20 2HH1 ARG 20 1.738 -22.043 -10.952 193 HH21 ARG 20 2HH2 ARG 20 1.207 -24.117 -10.138 194 HH22 ARG 20 1HH2 ARG 20 2.251 -24.896 -8.997 195 H ARG 21 H ARG 21 9.166 -20.745 -6.368 196 HA ARG 21 HA ARG 21 9.656 -23.522 -5.985 197 HB2 ARG 21 2HB ARG 21 11.559 -21.196 -6.311 198 HB3 ARG 21 3HB ARG 21 12.048 -22.885 -6.308 199 HG2 ARG 21 2HG ARG 21 10.469 -23.208 -8.257 200 HG3 ARG 21 3HG ARG 21 10.356 -21.449 -8.330 201 HD2 ARG 21 2HD ARG 21 12.029 -22.114 -9.885 202 HD3 ARG 21 3HD ARG 21 12.855 -21.390 -8.506 203 HE ARG 21 HE ARG 21 12.694 -24.158 -8.103 204 HH11 ARG 21 1HH1 ARG 21 14.270 -21.854 -10.184 205 HH12 ARG 21 2HH1 ARG 21 15.652 -22.859 -10.468 206 HH21 ARG 21 2HH2 ARG 21 15.786 -24.928 -9.493 207 HH22 ARG 21 1HH2 ARG 21 14.509 -25.491 -8.469 208 H ASN 22 H ASN 22 10.979 -20.690 -4.257 209 HA ASN 22 HA ASN 22 11.275 -22.406 -1.881 210 HB2 ASN 22 2HB ASN 22 12.883 -20.032 -2.824 211 HB3 ASN 22 3HB ASN 22 12.995 -20.658 -1.181 212 HD21 ASN 22 2HD2 ASN 22 15.317 -23.038 -2.045 213 HD22 ASN 22 1HD2 ASN 22 14.613 -21.986 -0.869 214 H PHE 23 H PHE 23 10.270 -19.239 -3.054 215 HA PHE 23 HA PHE 23 9.187 -18.580 -0.414 216 HB2 PHE 23 2HB PHE 23 8.644 -16.453 -2.134 217 HB3 PHE 23 3HB PHE 23 9.955 -16.547 -0.963 218 HD1 PHE 23 HD1 PHE 23 12.130 -17.702 -1.779 219 HD2 PHE 23 HD2 PHE 23 9.126 -16.158 -4.369 220 HE1 PHE 23 HE1 PHE 23 13.773 -17.583 -3.607 221 HE2 PHE 23 HE2 PHE 23 10.764 -16.038 -6.202 222 HZ PHE 23 HZ PHE 23 13.090 -16.751 -5.822 223 H GLY 24 H GLY 24 7.322 -19.755 -0.236 224 HA2 GLY 24 2HA GLY 24 5.457 -20.646 -1.844 225 HA3 GLY 24 3HA GLY 24 4.974 -19.740 -0.417 226 H TYR 25 H TYR 25 4.395 -17.540 -0.632 227 HA TYR 25 HA TYR 25 4.062 -16.547 -3.368 228 HB2 TYR 25 2HB TYR 25 1.961 -17.737 -2.408 229 HB3 TYR 25 3HB TYR 25 1.799 -16.298 -1.408 230 HD1 TYR 25 HD1 TYR 25 3.101 -16.223 -4.851 231 HD2 TYR 25 HD2 TYR 25 -0.280 -15.567 -2.353 232 HE1 TYR 25 HE1 TYR 25 1.963 -15.071 -6.703 233 HE2 TYR 25 HE2 TYR 25 -1.428 -14.415 -4.197 234 HH TYR 25 HH TYR 25 -0.267 -13.085 -6.539 235 H THR 26 H THR 26 6.025 -15.547 -1.980 236 HA THR 26 HA THR 26 5.687 -13.627 -0.057 237 HB THR 26 HB THR 26 7.873 -14.369 -1.095 238 HG1 THR 26 HG1 THR 26 8.829 -12.297 -0.688 239 HG21 THR 26 3HG2 THR 26 8.727 -13.058 -2.973 240 HG22 THR 26 1HG2 THR 26 7.182 -12.219 -3.102 241 HG23 THR 26 2HG2 THR 26 7.277 -13.947 -3.439 242 H LEU 27 H LEU 27 4.754 -13.484 -3.396 243 HA LEU 27 HA LEU 27 4.604 -10.782 -3.896 244 HB2 LEU 27 2HB LEU 27 2.380 -12.625 -4.688 245 HB3 LEU 27 3HB LEU 27 3.058 -11.264 -5.579 246 HG LEU 27 HG LEU 27 4.139 -14.046 -5.280 247 HD11 LEU 27 1HD1 LEU 27 4.181 -12.549 -7.820 248 HD12 LEU 27 2HD1 LEU 27 2.589 -12.966 -7.187 249 HD13 LEU 27 3HD1 LEU 27 3.774 -14.235 -7.497 250 HD21 LEU 27 3HD2 LEU 27 6.198 -13.204 -5.088 251 HD22 LEU 27 1HD2 LEU 27 5.653 -11.564 -5.437 252 HD23 LEU 27 2HD2 LEU 27 6.009 -12.674 -6.760 253 H ARG 28 H ARG 28 2.562 -12.744 -1.854 254 HA ARG 28 HA ARG 28 0.639 -10.596 -1.475 255 HB2 ARG 28 2HB ARG 28 0.353 -13.291 -1.451 256 HB3 ARG 28 3HB ARG 28 0.527 -12.977 0.271 257 HG2 ARG 28 2HG ARG 28 -1.582 -12.327 0.392 258 HG3 ARG 28 3HG ARG 28 -1.294 -11.082 -0.825 259 HD2 ARG 28 2HD ARG 28 -2.168 -12.327 -2.499 260 HD3 ARG 28 3HD ARG 28 -1.554 -13.841 -1.834 261 HE ARG 28 HE ARG 28 -3.592 -14.157 -0.873 262 HH11 ARG 28 1HH1 ARG 28 -3.175 -10.752 -1.466 263 HH12 ARG 28 2HH1 ARG 28 -4.768 -10.331 -0.930 264 HH21 ARG 28 2HH2 ARG 28 -6.198 -11.961 -0.190 265 HH22 ARG 28 1HH2 ARG 28 -5.691 -13.616 -0.165 Start of MODEL 8 1 H1 LYS 1 H LYS 1 0.087 -1.114 0.521 2 HA LYS 1 HA LYS 1 1.439 -0.665 -1.251 3 HB2 LYS 1 2HB LYS 1 3.139 0.363 1.011 4 HB3 LYS 1 3HB LYS 1 3.673 0.456 -0.662 5 HG2 LYS 1 2HG LYS 1 1.693 1.782 -1.217 6 HG3 LYS 1 3HG LYS 1 1.172 1.698 0.468 7 HD2 LYS 1 2HD LYS 1 2.844 3.110 1.194 8 HD3 LYS 1 3HD LYS 1 3.900 2.731 -0.169 9 HE2 LYS 1 2HE LYS 1 3.030 4.361 -1.437 10 HE3 LYS 1 3HE LYS 1 1.379 3.980 -0.953 11 HZ1 LYS 1 3HZ LYS 1 1.859 5.147 1.172 12 HZ2 LYS 1 1HZ LYS 1 1.888 6.154 -0.187 13 HZ3 LYS 1 2HZ LYS 1 3.338 5.648 0.522 14 H TYR 2 H TYR 2 1.430 -3.303 -0.306 15 HA TYR 2 HA TYR 2 4.200 -4.139 -0.870 16 HB2 TYR 2 2HB TYR 2 3.177 -4.649 1.454 17 HB3 TYR 2 3HB TYR 2 2.225 -5.861 0.605 18 HD1 TYR 2 HD1 TYR 2 5.288 -5.200 2.251 19 HD2 TYR 2 HD2 TYR 2 3.567 -7.560 -0.843 20 HE1 TYR 2 HE1 TYR 2 7.163 -6.782 2.423 21 HE2 TYR 2 HE2 TYR 2 5.437 -9.149 -0.678 22 HH TYR 2 HH TYR 2 7.196 -9.701 1.511 23 H GLU 3 H GLU 3 0.858 -4.406 -1.690 24 HA GLU 3 HA GLU 3 0.565 -6.758 -2.997 25 HB2 GLU 3 2HB GLU 3 -0.377 -3.998 -3.708 26 HB3 GLU 3 3HB GLU 3 -0.764 -5.365 -4.744 27 HG2 GLU 3 2HG GLU 3 -1.865 -6.481 -2.881 28 HG3 GLU 3 3HG GLU 3 -1.461 -5.127 -1.826 29 H ILE 4 H ILE 4 1.309 -3.923 -4.993 30 HA ILE 4 HA ILE 4 3.380 -5.488 -6.371 31 HB ILE 4 HB ILE 4 1.249 -5.563 -7.667 32 HG12 ILE 4 2HG1 ILE 4 3.688 -4.206 -8.800 33 HG13 ILE 4 3HG1 ILE 4 3.217 -5.897 -8.930 34 HG21 ILE 4 1HG2 ILE 4 1.696 -2.608 -8.053 35 HG22 ILE 4 2HG2 ILE 4 0.397 -3.587 -8.732 36 HG23 ILE 4 3HG2 ILE 4 0.471 -3.303 -6.993 37 HD11 ILE 4 3HD1 ILE 4 1.189 -4.976 -10.240 38 HD12 ILE 4 1HD1 ILE 4 2.179 -3.528 -10.415 39 HD13 ILE 4 2HD1 ILE 4 2.761 -5.074 -11.032 40 H THR 5 H THR 5 2.051 -2.374 -5.494 41 HA THR 5 HA THR 5 3.597 -0.549 -6.758 42 HB THR 5 HB THR 5 1.893 -0.072 -4.961 43 HG1 THR 5 HG1 THR 5 2.718 1.862 -5.127 44 HG21 THR 5 3HG2 THR 5 4.260 -0.496 -3.133 45 HG22 THR 5 1HG2 THR 5 2.842 -1.539 -3.228 46 HG23 THR 5 2HG2 THR 5 2.677 0.123 -2.661 47 H THR 6 H THR 6 4.631 -2.733 -4.214 48 HA THR 6 HA THR 6 7.386 -1.742 -4.561 49 HB THR 6 HB THR 6 5.885 -2.453 -2.104 50 HG1 THR 6 HG1 THR 6 6.774 -0.612 -1.478 51 HG21 THR 6 3HG2 THR 6 8.780 -3.181 -2.534 52 HG22 THR 6 1HG2 THR 6 7.465 -4.244 -2.034 53 HG23 THR 6 2HG2 THR 6 8.049 -2.990 -0.940 54 H ILE 7 H ILE 7 5.246 -4.455 -4.520 55 HA ILE 7 HA ILE 7 6.944 -6.597 -4.141 56 HB ILE 7 HB ILE 7 4.324 -6.312 -4.945 57 HG12 ILE 7 2HG1 ILE 7 4.234 -8.762 -4.757 58 HG13 ILE 7 3HG1 ILE 7 5.987 -8.841 -4.899 59 HG21 ILE 7 1HG2 ILE 7 5.020 -6.163 -7.288 60 HG22 ILE 7 2HG2 ILE 7 5.825 -7.724 -7.146 61 HG23 ILE 7 3HG2 ILE 7 4.072 -7.618 -6.984 62 HD11 ILE 7 3HD1 ILE 7 4.337 -8.346 -2.583 63 HD12 ILE 7 1HD1 ILE 7 6.041 -8.787 -2.685 64 HD13 ILE 7 2HD1 ILE 7 5.560 -7.094 -2.799 65 H HIS 8 H HIS 8 6.439 -4.665 -7.050 66 HA HIS 8 HA HIS 8 7.819 -6.214 -8.896 67 HB2 HIS 8 2HB HIS 8 8.011 -4.238 -10.234 68 HB3 HIS 8 3HB HIS 8 6.474 -4.141 -9.378 69 HD1 HIS 8 HD1 HIS 8 7.790 -3.124 -6.654 70 HD2 HIS 8 HD2 HIS 8 8.349 -1.496 -10.435 71 HE1 HIS 8 HE1 HIS 8 8.486 -0.739 -6.263 72 H ASN 9 H ASN 9 9.010 -4.306 -6.272 73 HA ASN 9 HA ASN 9 11.730 -4.252 -7.277 74 HB2 ASN 9 2HB ASN 9 10.774 -2.359 -5.957 75 HB3 ASN 9 3HB ASN 9 10.692 -3.426 -4.558 76 HD21 ASN 9 2HD2 ASN 9 14.164 -1.689 -5.668 77 HD22 ASN 9 1HD2 ASN 9 12.709 -1.515 -6.584 78 H LEU 10 H LEU 10 9.799 -6.034 -4.959 79 HA LEU 10 HA LEU 10 12.114 -7.485 -3.962 80 HB2 LEU 10 2HB LEU 10 10.829 -7.474 -2.150 81 HB3 LEU 10 3HB LEU 10 9.414 -6.978 -3.075 82 HG LEU 10 HG LEU 10 10.301 -9.843 -3.017 83 HD11 LEU 10 1HD1 LEU 10 8.919 -8.286 -0.898 84 HD12 LEU 10 2HD1 LEU 10 10.031 -9.647 -0.761 85 HD13 LEU 10 3HD1 LEU 10 8.356 -9.923 -1.237 86 HD21 LEU 10 3HD2 LEU 10 7.639 -9.882 -3.169 87 HD22 LEU 10 1HD2 LEU 10 8.673 -9.742 -4.591 88 HD23 LEU 10 2HD2 LEU 10 7.932 -8.301 -3.895 89 H PHE 11 H PHE 11 9.799 -7.763 -6.434 90 HA PHE 11 HA PHE 11 9.240 -10.410 -6.719 91 HB2 PHE 11 2HB PHE 11 9.654 -8.174 -8.596 92 HB3 PHE 11 3HB PHE 11 9.813 -9.777 -9.306 93 HD1 PHE 11 HD1 PHE 11 7.716 -7.844 -10.112 94 HD2 PHE 11 HD2 PHE 11 7.739 -10.819 -7.068 95 HE1 PHE 11 HE1 PHE 11 5.266 -8.014 -10.264 96 HE2 PHE 11 HE2 PHE 11 5.290 -10.995 -7.216 97 HZ PHE 11 HZ PHE 11 4.050 -9.592 -8.816 98 H ARG 12 H ARG 12 10.512 -12.122 -6.504 99 HA ARG 12 HA ARG 12 13.250 -12.221 -6.523 100 HB2 ARG 12 2HB ARG 12 12.359 -14.165 -5.704 101 HB3 ARG 12 3HB ARG 12 11.107 -14.237 -6.937 102 HG2 ARG 12 2HG ARG 12 12.700 -16.064 -7.168 103 HG3 ARG 12 3HG ARG 12 12.737 -14.997 -8.573 104 HD2 ARG 12 2HD ARG 12 14.624 -13.875 -6.942 105 HD3 ARG 12 3HD ARG 12 14.816 -15.594 -6.602 106 HE ARG 12 HE ARG 12 14.713 -15.348 -9.353 107 HH11 ARG 12 1HH1 ARG 12 16.741 -14.224 -6.756 108 HH12 ARG 12 2HH1 ARG 12 18.174 -14.164 -7.728 109 HH21 ARG 12 2HH2 ARG 12 18.089 -14.760 -9.938 110 HH22 ARG 12 1HH2 ARG 12 16.593 -15.273 -10.642 111 H LYS 13 H LYS 13 11.248 -13.416 -9.226 112 HA LYS 13 HA LYS 13 13.512 -12.915 -11.026 113 HB2 LYS 13 2HB LYS 13 12.778 -15.172 -11.173 114 HB3 LYS 13 3HB LYS 13 11.087 -14.693 -11.246 115 HG2 LYS 13 2HG LYS 13 12.239 -15.467 -13.402 116 HG3 LYS 13 3HG LYS 13 11.242 -14.011 -13.458 117 HD2 LYS 13 2HD LYS 13 13.034 -12.630 -13.752 118 HD3 LYS 13 3HD LYS 13 14.129 -13.679 -12.847 119 HE2 LYS 13 2HE LYS 13 14.667 -14.913 -14.672 120 HE3 LYS 13 3HE LYS 13 13.062 -14.759 -15.384 121 HZ1 LYS 13 3HZ LYS 13 15.403 -13.081 -15.717 122 HZ2 LYS 13 1HZ LYS 13 13.938 -12.249 -15.558 123 HZ3 LYS 13 2HZ LYS 13 14.131 -13.393 -16.788 124 H LEU 14 H LEU 14 10.131 -13.138 -11.959 125 HA LEU 14 HA LEU 14 10.273 -10.356 -12.920 126 HB2 LEU 14 2HB LEU 14 10.298 -11.683 -14.847 127 HB3 LEU 14 3HB LEU 14 9.123 -12.818 -14.186 128 HG LEU 14 HG LEU 14 7.842 -10.304 -14.357 129 HD11 LEU 14 1HD1 LEU 14 8.610 -10.918 -17.117 130 HD12 LEU 14 2HD1 LEU 14 9.897 -10.221 -16.133 131 HD13 LEU 14 3HD1 LEU 14 8.368 -9.363 -16.321 132 HD21 LEU 14 3HD2 LEU 14 7.312 -12.315 -16.439 133 HD22 LEU 14 1HD2 LEU 14 6.217 -11.555 -15.284 134 HD23 LEU 14 2HD2 LEU 14 7.234 -12.903 -14.778 135 H THR 15 H THR 15 7.533 -12.575 -12.941 136 HA THR 15 HA THR 15 6.197 -10.881 -10.937 137 HB THR 15 HB THR 15 5.175 -11.755 -13.619 138 HG1 THR 15 HG1 THR 15 6.056 -9.551 -12.914 139 HG21 THR 15 3HG2 THR 15 3.196 -10.643 -11.742 140 HG22 THR 15 1HG2 THR 15 3.695 -12.302 -11.418 141 HG23 THR 15 2HG2 THR 15 3.009 -11.878 -12.986 142 H HIS 16 H HIS 16 5.549 -13.872 -12.778 143 HA HIS 16 HA HIS 16 5.069 -15.237 -10.214 144 HB2 HIS 16 2HB HIS 16 3.337 -16.597 -11.588 145 HB3 HIS 16 3HB HIS 16 2.887 -14.999 -11.002 146 HD1 HIS 16 HD1 HIS 16 4.955 -15.693 -14.092 147 HD2 HIS 16 HD2 HIS 16 1.202 -14.261 -13.030 148 HE1 HIS 16 HE1 HIS 16 3.934 -14.836 -16.225 149 H ARG 17 H ARG 17 7.170 -15.062 -12.566 150 HA ARG 17 HA ARG 17 7.481 -17.403 -13.903 151 HB2 ARG 17 2HB ARG 17 9.042 -15.476 -14.008 152 HB3 ARG 17 3HB ARG 17 9.706 -15.960 -12.453 153 HG2 ARG 17 2HG ARG 17 11.197 -17.133 -13.606 154 HG3 ARG 17 3HG ARG 17 9.884 -18.256 -13.969 155 HD2 ARG 17 2HD ARG 17 9.509 -16.270 -15.824 156 HD3 ARG 17 3HD ARG 17 11.266 -16.355 -15.702 157 HE ARG 17 HE ARG 17 10.309 -18.960 -15.936 158 HH11 ARG 17 1HH1 ARG 17 10.441 -16.039 -17.826 159 HH12 ARG 17 2HH1 ARG 17 10.472 -16.869 -19.346 160 HH21 ARG 17 2HH2 ARG 17 10.419 -19.159 -19.405 161 HH22 ARG 17 1HH2 ARG 17 10.349 -20.064 -17.931 162 H LEU 18 H LEU 18 9.450 -16.994 -10.987 163 HA LEU 18 HA LEU 18 8.677 -19.711 -10.158 164 HB2 LEU 18 2HB LEU 18 10.958 -20.147 -9.481 165 HB3 LEU 18 3HB LEU 18 10.887 -19.746 -11.195 166 HG LEU 18 HG LEU 18 11.488 -17.509 -9.360 167 HD11 LEU 18 1HD1 LEU 18 13.561 -19.614 -9.951 168 HD12 LEU 18 2HD1 LEU 18 12.763 -19.410 -8.392 169 HD13 LEU 18 3HD1 LEU 18 13.781 -18.122 -9.036 170 HD21 LEU 18 3HD2 LEU 18 13.221 -17.171 -11.211 171 HD22 LEU 18 1HD2 LEU 18 11.521 -16.985 -11.640 172 HD23 LEU 18 2HD2 LEU 18 12.379 -18.467 -12.062 173 H PHE 19 H PHE 19 7.250 -17.844 -9.039 174 HA PHE 19 HA PHE 19 8.554 -17.016 -6.548 175 HB2 PHE 19 2HB PHE 19 5.855 -16.224 -7.665 176 HB3 PHE 19 3HB PHE 19 6.617 -15.551 -6.227 177 HD1 PHE 19 HD1 PHE 19 7.052 -15.924 -9.892 178 HD2 PHE 19 HD2 PHE 19 8.038 -13.717 -6.389 179 HE1 PHE 19 HE1 PHE 19 8.152 -14.217 -11.282 180 HE2 PHE 19 HE2 PHE 19 9.139 -12.006 -7.773 181 HZ PHE 19 HZ PHE 19 9.196 -12.254 -10.223 182 H ARG 20 H ARG 20 7.656 -19.784 -7.208 183 HA ARG 20 HA ARG 20 5.935 -20.166 -4.853 184 HB2 ARG 20 2HB ARG 20 4.808 -22.028 -6.022 185 HB3 ARG 20 3HB ARG 20 4.538 -20.480 -6.812 186 HG2 ARG 20 2HG ARG 20 6.696 -21.321 -8.174 187 HG3 ARG 20 3HG ARG 20 5.964 -22.873 -7.764 188 HD2 ARG 20 2HD ARG 20 5.171 -22.041 -9.926 189 HD3 ARG 20 3HD ARG 20 3.860 -22.162 -8.754 190 HE ARG 20 HE ARG 20 5.079 -19.556 -8.905 191 HH11 ARG 20 1HH1 ARG 20 2.619 -21.667 -10.175 192 HH12 ARG 20 2HH1 ARG 20 1.623 -20.372 -10.753 193 HH21 ARG 20 2HH2 ARG 20 2.282 -18.198 -10.461 194 HH22 ARG 20 1HH2 ARG 20 3.776 -17.843 -9.661 195 H ARG 21 H ARG 21 8.819 -20.822 -6.383 196 HA ARG 21 HA ARG 21 9.312 -23.506 -5.752 197 HB2 ARG 21 2HB ARG 21 11.158 -21.141 -6.059 198 HB3 ARG 21 3HB ARG 21 11.749 -22.772 -5.769 199 HG2 ARG 21 2HG ARG 21 10.066 -21.912 -8.114 200 HG3 ARG 21 3HG ARG 21 11.811 -22.181 -8.138 201 HD2 ARG 21 2HD ARG 21 10.973 -24.524 -7.097 202 HD3 ARG 21 3HD ARG 21 9.587 -24.118 -8.109 203 HE ARG 21 HE ARG 21 11.900 -23.757 -9.628 204 HH11 ARG 21 1HH1 ARG 21 10.124 -26.334 -8.104 205 HH12 ARG 21 2HH1 ARG 21 10.629 -27.534 -9.246 206 HH21 ARG 21 2HH2 ARG 21 12.023 -26.961 -10.972 207 HH22 ARG 21 1HH2 ARG 21 12.573 -25.328 -11.139 208 H ASN 22 H ASN 22 10.556 -20.654 -4.001 209 HA ASN 22 HA ASN 22 10.579 -22.291 -1.554 210 HB2 ASN 22 2HB ASN 22 12.154 -19.754 -1.977 211 HB3 ASN 22 3HB ASN 22 12.404 -20.999 -0.756 212 HD21 ASN 22 2HD2 ASN 22 14.014 -23.253 -2.989 213 HD22 ASN 22 1HD2 ASN 22 12.927 -23.192 -1.648 214 H PHE 23 H PHE 23 9.952 -19.009 -2.760 215 HA PHE 23 HA PHE 23 8.594 -18.290 -0.298 216 HB2 PHE 23 2HB PHE 23 8.170 -16.277 -2.210 217 HB3 PHE 23 3HB PHE 23 9.343 -16.270 -0.897 218 HD1 PHE 23 HD1 PHE 23 8.873 -16.254 -4.421 219 HD2 PHE 23 HD2 PHE 23 11.630 -17.315 -1.357 220 HE1 PHE 23 HE1 PHE 23 10.704 -16.232 -6.065 221 HE2 PHE 23 HE2 PHE 23 13.465 -17.293 -2.996 222 HZ PHE 23 HZ PHE 23 13.003 -16.751 -5.353 223 H GLY 24 H GLY 24 6.738 -19.510 -0.195 224 HA2 GLY 24 2HA GLY 24 4.966 -20.441 -1.894 225 HA3 GLY 24 3HA GLY 24 4.406 -19.537 -0.495 226 H TYR 25 H TYR 25 3.726 -17.394 -0.745 227 HA TYR 25 HA TYR 25 3.606 -16.336 -3.470 228 HB2 TYR 25 2HB TYR 25 1.454 -17.672 -2.464 229 HB3 TYR 25 3HB TYR 25 1.097 -16.026 -1.955 230 HD1 TYR 25 HD1 TYR 25 2.784 -15.083 -4.581 231 HD2 TYR 25 HD2 TYR 25 -0.653 -17.474 -3.829 232 HE1 TYR 25 HE1 TYR 25 1.941 -14.569 -6.834 233 HE2 TYR 25 HE2 TYR 25 -1.505 -16.968 -6.080 234 HH TYR 25 HH TYR 25 0.200 -14.730 -8.230 235 H THR 26 H THR 26 5.333 -15.275 -1.832 236 HA THR 26 HA THR 26 4.483 -13.377 0.036 237 HB THR 26 HB THR 26 6.923 -14.230 -0.811 238 HG1 THR 26 HG1 THR 26 6.072 -12.053 0.768 239 HG21 THR 26 3HG2 THR 26 6.857 -11.332 -1.612 240 HG22 THR 26 1HG2 THR 26 6.643 -12.629 -2.787 241 HG23 THR 26 2HG2 THR 26 8.141 -12.514 -1.863 242 H LEU 27 H LEU 27 4.126 -13.398 -3.333 243 HA LEU 27 HA LEU 27 4.208 -10.585 -3.805 244 HB2 LEU 27 2HB LEU 27 2.556 -12.308 -5.548 245 HB3 LEU 27 3HB LEU 27 3.748 -11.081 -5.969 246 HG LEU 27 HG LEU 27 4.328 -13.907 -5.085 247 HD11 LEU 27 1HD1 LEU 27 5.436 -13.439 -7.576 248 HD12 LEU 27 2HD1 LEU 27 3.850 -12.676 -7.663 249 HD13 LEU 27 3HD1 LEU 27 3.985 -14.380 -7.231 250 HD21 LEU 27 3HD2 LEU 27 6.512 -13.405 -4.906 251 HD22 LEU 27 1HD2 LEU 27 5.923 -11.767 -4.622 252 HD23 LEU 27 2HD2 LEU 27 6.461 -12.243 -6.233 253 H ARG 28 H ARG 28 1.832 -12.787 -2.602 254 HA ARG 28 HA ARG 28 -0.556 -11.561 -3.218 255 HB2 ARG 28 2HB ARG 28 -1.490 -12.631 -1.287 256 HB3 ARG 28 3HB ARG 28 -0.272 -13.706 -1.961 257 HG2 ARG 28 2HG ARG 28 1.312 -12.636 -0.234 258 HG3 ARG 28 3HG ARG 28 -0.170 -12.083 0.548 259 HD2 ARG 28 2HD ARG 28 -0.929 -14.524 0.407 260 HD3 ARG 28 3HD ARG 28 0.758 -14.895 0.058 261 HE ARG 28 HE ARG 28 0.570 -13.299 2.382 262 HH11 ARG 28 1HH1 ARG 28 -0.010 -16.535 1.235 263 HH12 ARG 28 2HH1 ARG 28 0.236 -17.268 2.786 264 HH21 ARG 28 2HH2 ARG 28 0.751 -15.969 4.601 265 HH22 ARG 28 1HH2 ARG 28 0.897 -14.253 4.428 Start of MODEL 9 1 H1 LYS 1 H LYS 1 0.519 -2.171 1.202 2 HA LYS 1 HA LYS 1 1.130 -0.903 -1.388 3 HB2 LYS 1 2HB LYS 1 1.567 0.248 0.980 4 HB3 LYS 1 3HB LYS 1 3.044 -0.702 0.882 5 HG2 LYS 1 2HG LYS 1 3.698 0.383 -1.136 6 HG3 LYS 1 3HG LYS 1 2.132 1.186 -1.275 7 HD2 LYS 1 2HD LYS 1 2.577 2.594 0.562 8 HD3 LYS 1 3HD LYS 1 3.947 1.611 1.085 9 HE2 LYS 1 2HE LYS 1 4.443 2.436 -1.580 10 HE3 LYS 1 3HE LYS 1 3.920 3.854 -0.672 11 HZ1 LYS 1 3HZ LYS 1 6.314 3.566 -0.558 12 HZ2 LYS 1 1HZ LYS 1 6.125 2.021 0.104 13 HZ3 LYS 1 2HZ LYS 1 5.624 3.381 0.975 14 H TYR 2 H TYR 2 0.961 -3.790 -0.658 15 HA TYR 2 HA TYR 2 3.741 -4.547 -1.281 16 HB2 TYR 2 2HB TYR 2 2.596 -5.327 0.937 17 HB3 TYR 2 3HB TYR 2 1.767 -6.476 -0.107 18 HD1 TYR 2 HD1 TYR 2 4.659 -5.891 1.831 19 HD2 TYR 2 HD2 TYR 2 3.311 -7.898 -1.670 20 HE1 TYR 2 HE1 TYR 2 6.606 -7.390 1.948 21 HE2 TYR 2 HE2 TYR 2 5.253 -9.403 -1.562 22 HH TYR 2 HH TYR 2 7.026 -9.938 0.995 23 H GLU 3 H GLU 3 0.441 -4.671 -2.243 24 HA GLU 3 HA GLU 3 0.156 -6.860 -3.810 25 HB2 GLU 3 2HB GLU 3 -0.680 -4.014 -4.316 26 HB3 GLU 3 3HB GLU 3 -1.110 -5.308 -5.427 27 HG2 GLU 3 2HG GLU 3 -2.247 -6.483 -3.603 28 HG3 GLU 3 3HG GLU 3 -1.842 -5.160 -2.511 29 H ILE 4 H ILE 4 0.931 -3.885 -5.549 30 HA ILE 4 HA ILE 4 3.113 -5.287 -6.930 31 HB ILE 4 HB ILE 4 1.031 -5.363 -8.310 32 HG12 ILE 4 2HG1 ILE 4 3.453 -3.857 -9.285 33 HG13 ILE 4 3HG1 ILE 4 3.079 -5.565 -9.487 34 HG21 ILE 4 1HG2 ILE 4 1.400 -2.379 -8.514 35 HG22 ILE 4 2HG2 ILE 4 0.168 -3.354 -9.313 36 HG23 ILE 4 3HG2 ILE 4 0.147 -3.172 -7.559 37 HD11 ILE 4 3HD1 ILE 4 1.004 -4.572 -10.793 38 HD12 ILE 4 1HD1 ILE 4 2.110 -3.215 -11.002 39 HD13 ILE 4 2HD1 ILE 4 2.570 -4.822 -11.565 40 H THR 5 H THR 5 1.639 -2.296 -5.894 41 HA THR 5 HA THR 5 3.145 -0.333 -6.998 42 HB THR 5 HB THR 5 1.365 -0.049 -5.226 43 HG1 THR 5 HG1 THR 5 2.368 1.889 -4.446 44 HG21 THR 5 3HG2 THR 5 2.401 -1.579 -3.568 45 HG22 THR 5 1HG2 THR 5 2.039 0.014 -2.906 46 HG23 THR 5 2HG2 THR 5 3.696 -0.405 -3.340 47 H THR 6 H THR 6 4.189 -2.644 -4.577 48 HA THR 6 HA THR 6 6.912 -1.530 -4.771 49 HB THR 6 HB THR 6 5.612 -1.441 -2.482 50 HG1 THR 6 HG1 THR 6 7.578 -0.931 -1.919 51 HG21 THR 6 3HG2 THR 6 5.902 -3.371 -1.094 52 HG22 THR 6 1HG2 THR 6 6.802 -4.211 -2.356 53 HG23 THR 6 2HG2 THR 6 5.081 -3.889 -2.566 54 H ILE 7 H ILE 7 4.871 -4.296 -4.996 55 HA ILE 7 HA ILE 7 6.602 -6.415 -4.645 56 HB ILE 7 HB ILE 7 4.030 -6.168 -5.552 57 HG12 ILE 7 2HG1 ILE 7 4.016 -8.616 -5.586 58 HG13 ILE 7 3HG1 ILE 7 5.772 -8.638 -5.710 59 HG21 ILE 7 1HG2 ILE 7 4.812 -5.761 -7.839 60 HG22 ILE 7 2HG2 ILE 7 5.661 -7.306 -7.818 61 HG23 ILE 7 3HG2 ILE 7 3.901 -7.266 -7.719 62 HD11 ILE 7 3HD1 ILE 7 5.164 -7.099 -3.447 63 HD12 ILE 7 1HD1 ILE 7 4.121 -8.519 -3.383 64 HD13 ILE 7 2HD1 ILE 7 5.870 -8.713 -3.506 65 H HIS 8 H HIS 8 6.198 -4.343 -7.477 66 HA HIS 8 HA HIS 8 7.732 -5.728 -9.320 67 HB2 HIS 8 2HB HIS 8 7.997 -3.638 -10.494 68 HB3 HIS 8 3HB HIS 8 6.381 -3.682 -9.793 69 HD1 HIS 8 HD1 HIS 8 7.551 -2.868 -6.870 70 HD2 HIS 8 HD2 HIS 8 8.022 -0.835 -10.462 71 HE1 HIS 8 HE1 HIS 8 8.030 -0.483 -6.234 72 H ASN 9 H ASN 9 8.720 -4.020 -6.494 73 HA ASN 9 HA ASN 9 11.507 -3.903 -7.340 74 HB2 ASN 9 2HB ASN 9 9.953 -2.320 -5.659 75 HB3 ASN 9 3HB ASN 9 10.999 -3.211 -4.558 76 HD21 ASN 9 2HD2 ASN 9 13.630 -1.070 -5.100 77 HD22 ASN 9 1HD2 ASN 9 12.732 -2.108 -4.050 78 H LEU 10 H LEU 10 9.406 -5.710 -5.208 79 HA LEU 10 HA LEU 10 11.598 -7.117 -3.947 80 HB2 LEU 10 2HB LEU 10 9.774 -6.755 -2.526 81 HB3 LEU 10 3HB LEU 10 8.610 -7.262 -3.749 82 HG LEU 10 HG LEU 10 9.984 -9.565 -3.390 83 HD11 LEU 10 1HD1 LEU 10 10.206 -7.973 -0.871 84 HD12 LEU 10 2HD1 LEU 10 11.397 -9.017 -1.647 85 HD13 LEU 10 3HD1 LEU 10 10.019 -9.725 -0.803 86 HD21 LEU 10 3HD2 LEU 10 8.089 -10.062 -1.689 87 HD22 LEU 10 1HD2 LEU 10 7.673 -9.667 -3.357 88 HD23 LEU 10 2HD2 LEU 10 7.531 -8.439 -2.099 89 H PHE 11 H PHE 11 9.462 -7.539 -6.637 90 HA PHE 11 HA PHE 11 9.234 -10.182 -7.076 91 HB2 PHE 11 2HB PHE 11 9.748 -7.886 -8.889 92 HB3 PHE 11 3HB PHE 11 9.944 -9.496 -9.572 93 HD1 PHE 11 HD1 PHE 11 7.895 -7.397 -10.376 94 HD2 PHE 11 HD2 PHE 11 7.739 -10.660 -7.647 95 HE1 PHE 11 HE1 PHE 11 5.461 -7.550 -10.703 96 HE2 PHE 11 HE2 PHE 11 5.305 -10.818 -7.970 97 HZ PHE 11 HZ PHE 11 4.163 -9.263 -9.500 98 H ARG 12 H ARG 12 10.636 -11.763 -6.694 99 HA ARG 12 HA ARG 12 13.383 -11.577 -6.516 100 HB2 ARG 12 2HB ARG 12 11.992 -14.071 -7.473 101 HB3 ARG 12 3HB ARG 12 13.444 -13.945 -6.489 102 HG2 ARG 12 2HG ARG 12 10.589 -13.558 -5.701 103 HG3 ARG 12 3HG ARG 12 11.829 -14.574 -4.962 104 HD2 ARG 12 2HD ARG 12 12.974 -12.192 -4.598 105 HD3 ARG 12 3HD ARG 12 11.287 -11.679 -4.630 106 HE ARG 12 HE ARG 12 11.374 -13.814 -2.902 107 HH11 ARG 12 1HH1 ARG 12 12.898 -10.691 -3.122 108 HH12 ARG 12 2HH1 ARG 12 13.059 -10.504 -1.407 109 HH21 ARG 12 2HH2 ARG 12 12.310 -12.148 0.003 110 HH22 ARG 12 1HH2 ARG 12 11.580 -13.579 -0.642 111 H LYS 13 H LYS 13 11.492 -12.749 -9.300 112 HA LYS 13 HA LYS 13 13.867 -12.324 -10.987 113 HB2 LYS 13 2HB LYS 13 11.936 -13.779 -12.433 114 HB3 LYS 13 3HB LYS 13 13.463 -14.367 -11.788 115 HG2 LYS 13 2HG LYS 13 10.996 -14.257 -10.092 116 HG3 LYS 13 3HG LYS 13 11.323 -15.620 -11.165 117 HD2 LYS 13 2HD LYS 13 13.102 -14.627 -8.939 118 HD3 LYS 13 3HD LYS 13 12.123 -16.096 -8.920 119 HE2 LYS 13 2HE LYS 13 13.878 -17.178 -9.754 120 HE3 LYS 13 3HE LYS 13 13.652 -16.268 -11.247 121 HZ1 LYS 13 3HZ LYS 13 15.830 -16.179 -9.556 122 HZ2 LYS 13 1HZ LYS 13 15.031 -14.705 -9.328 123 HZ3 LYS 13 2HZ LYS 13 15.524 -15.168 -10.878 124 H LEU 14 H LEU 14 10.555 -12.694 -12.093 125 HA LEU 14 HA LEU 14 10.674 -9.950 -13.162 126 HB2 LEU 14 2HB LEU 14 10.745 -11.419 -14.997 127 HB3 LEU 14 3HB LEU 14 9.519 -12.476 -14.301 128 HG LEU 14 HG LEU 14 8.301 -9.959 -14.659 129 HD11 LEU 14 1HD1 LEU 14 8.654 -10.136 -17.307 130 HD12 LEU 14 2HD1 LEU 14 10.260 -10.623 -16.767 131 HD13 LEU 14 3HD1 LEU 14 9.600 -9.063 -16.276 132 HD21 LEU 14 3HD2 LEU 14 7.685 -12.579 -15.004 133 HD22 LEU 14 1HD2 LEU 14 7.802 -12.032 -16.677 134 HD23 LEU 14 2HD2 LEU 14 6.689 -11.235 -15.564 135 H THR 15 H THR 15 7.922 -12.139 -13.164 136 HA THR 15 HA THR 15 6.569 -10.402 -11.211 137 HB THR 15 HB THR 15 5.587 -11.265 -13.913 138 HG1 THR 15 HG1 THR 15 6.532 -9.092 -13.253 139 HG21 THR 15 3HG2 THR 15 3.732 -10.196 -11.809 140 HG22 THR 15 1HG2 THR 15 3.984 -11.930 -12.006 141 HG23 THR 15 2HG2 THR 15 3.338 -10.976 -13.341 142 H HIS 16 H HIS 16 5.782 -13.338 -13.079 143 HA HIS 16 HA HIS 16 5.331 -14.740 -10.532 144 HB2 HIS 16 2HB HIS 16 3.437 -15.944 -11.815 145 HB3 HIS 16 3HB HIS 16 3.129 -14.321 -11.205 146 HD1 HIS 16 HD1 HIS 16 5.005 -15.095 -14.391 147 HD2 HIS 16 HD2 HIS 16 1.373 -13.504 -13.150 148 HE1 HIS 16 HE1 HIS 16 3.930 -14.171 -16.468 149 H ARG 17 H ARG 17 7.311 -14.623 -12.987 150 HA ARG 17 HA ARG 17 7.440 -16.871 -14.453 151 HB2 ARG 17 2HB ARG 17 9.194 -15.184 -14.505 152 HB3 ARG 17 3HB ARG 17 9.729 -15.656 -12.897 153 HG2 ARG 17 2HG ARG 17 11.253 -16.626 -14.399 154 HG3 ARG 17 3HG ARG 17 10.204 -17.940 -13.865 155 HD2 ARG 17 2HD ARG 17 8.830 -17.162 -16.015 156 HD3 ARG 17 3HD ARG 17 10.438 -16.645 -16.520 157 HE ARG 17 HE ARG 17 11.055 -18.849 -16.734 158 HH11 ARG 17 1HH1 ARG 17 8.015 -18.639 -15.051 159 HH12 ARG 17 2HH1 ARG 17 7.706 -20.342 -15.127 160 HH21 ARG 17 2HH2 ARG 17 9.211 -21.737 -16.145 161 HH22 ARG 17 1HH2 ARG 17 10.660 -21.093 -16.841 162 H LEU 18 H LEU 18 9.469 -16.932 -11.560 163 HA LEU 18 HA LEU 18 8.357 -19.573 -10.890 164 HB2 LEU 18 2HB LEU 18 10.584 -20.383 -10.371 165 HB3 LEU 18 3HB LEU 18 10.476 -19.872 -12.055 166 HG LEU 18 HG LEU 18 11.486 -17.816 -10.215 167 HD11 LEU 18 1HD1 LEU 18 12.663 -20.504 -10.280 168 HD12 LEU 18 2HD1 LEU 18 12.846 -19.208 -9.098 169 HD13 LEU 18 3HD1 LEU 18 13.793 -19.185 -10.586 170 HD21 LEU 18 3HD2 LEU 18 13.296 -18.058 -12.176 171 HD22 LEU 18 1HD2 LEU 18 11.796 -17.147 -12.353 172 HD23 LEU 18 2HD2 LEU 18 11.904 -18.796 -12.971 173 H PHE 19 H PHE 19 7.331 -17.520 -9.592 174 HA PHE 19 HA PHE 19 8.858 -16.982 -7.176 175 HB2 PHE 19 2HB PHE 19 6.099 -16.059 -8.008 176 HB3 PHE 19 3HB PHE 19 6.970 -15.509 -6.580 177 HD1 PHE 19 HD1 PHE 19 8.291 -13.622 -6.708 178 HD2 PHE 19 HD2 PHE 19 7.295 -15.707 -10.282 179 HE1 PHE 19 HE1 PHE 19 9.348 -11.841 -8.037 180 HE2 PHE 19 HE2 PHE 19 8.352 -13.931 -11.617 181 HZ PHE 19 HZ PHE 19 9.380 -11.995 -10.495 182 H ARG 20 H ARG 20 7.715 -19.680 -7.916 183 HA ARG 20 HA ARG 20 6.371 -20.158 -5.347 184 HB2 ARG 20 2HB ARG 20 4.996 -21.922 -6.575 185 HB3 ARG 20 3HB ARG 20 4.556 -20.242 -6.847 186 HG2 ARG 20 2HG ARG 20 6.510 -21.292 -8.754 187 HG3 ARG 20 3HG ARG 20 4.940 -22.096 -8.796 188 HD2 ARG 20 2HD ARG 20 5.358 -19.114 -8.953 189 HD3 ARG 20 3HD ARG 20 5.100 -20.168 -10.343 190 HE ARG 20 HE ARG 20 3.115 -19.200 -8.517 191 HH11 ARG 20 1HH1 ARG 20 3.949 -21.785 -10.695 192 HH12 ARG 20 2HH1 ARG 20 2.305 -22.247 -10.984 193 HH21 ARG 20 2HH2 ARG 20 0.597 -21.115 -9.958 194 HH22 ARG 20 1HH2 ARG 20 0.946 -19.798 -8.890 195 H ARG 21 H ARG 21 8.926 -20.813 -7.315 196 HA ARG 21 HA ARG 21 9.237 -23.611 -7.017 197 HB2 ARG 21 2HB ARG 21 10.996 -21.340 -7.804 198 HB3 ARG 21 3HB ARG 21 11.768 -22.849 -7.335 199 HG2 ARG 21 2HG ARG 21 11.405 -22.631 -9.770 200 HG3 ARG 21 3HG ARG 21 10.618 -24.044 -9.065 201 HD2 ARG 21 2HD ARG 21 9.029 -21.550 -9.223 202 HD3 ARG 21 3HD ARG 21 9.377 -22.376 -10.742 203 HE ARG 21 HE ARG 21 8.350 -24.099 -8.678 204 HH11 ARG 21 1HH1 ARG 21 7.542 -21.943 -11.290 205 HH12 ARG 21 2HH1 ARG 21 5.982 -22.647 -11.562 206 HH21 ARG 21 2HH2 ARG 21 5.275 -24.404 -10.273 207 HH22 ARG 21 1HH2 ARG 21 6.298 -25.034 -9.026 208 H ASN 22 H ASN 22 11.189 -21.056 -5.472 209 HA ASN 22 HA ASN 22 11.569 -22.850 -3.178 210 HB2 ASN 22 2HB ASN 22 13.421 -21.445 -4.646 211 HB3 ASN 22 3HB ASN 22 13.175 -20.395 -3.254 212 HD21 ASN 22 2HD2 ASN 22 14.761 -22.493 -0.968 213 HD22 ASN 22 1HD2 ASN 22 13.736 -21.123 -1.206 214 H PHE 23 H PHE 23 10.456 -19.658 -4.105 215 HA PHE 23 HA PHE 23 9.772 -19.069 -1.311 216 HB2 PHE 23 2HB PHE 23 9.136 -16.826 -2.829 217 HB3 PHE 23 3HB PHE 23 10.581 -17.049 -1.850 218 HD1 PHE 23 HD1 PHE 23 9.358 -16.363 -5.071 219 HD2 PHE 23 HD2 PHE 23 12.550 -18.301 -3.029 220 HE1 PHE 23 HE1 PHE 23 10.746 -16.202 -7.096 221 HE2 PHE 23 HE2 PHE 23 13.944 -18.142 -5.050 222 HZ PHE 23 HZ PHE 23 13.043 -17.091 -7.087 223 H GLY 24 H GLY 24 7.882 -20.151 -0.959 224 HA2 GLY 24 2HA GLY 24 5.806 -20.892 -2.373 225 HA3 GLY 24 3HA GLY 24 5.532 -20.024 -0.871 226 H TYR 25 H TYR 25 4.980 -17.823 -0.932 227 HA TYR 25 HA TYR 25 4.439 -16.677 -3.574 228 HB2 TYR 25 2HB TYR 25 2.420 -17.862 -2.220 229 HB3 TYR 25 3HB TYR 25 2.328 -16.239 -1.546 230 HD1 TYR 25 HD1 TYR 25 0.059 -17.265 -3.015 231 HD2 TYR 25 HD2 TYR 25 3.565 -15.355 -4.485 232 HE1 TYR 25 HE1 TYR 25 -1.188 -16.516 -4.999 233 HE2 TYR 25 HE2 TYR 25 2.328 -14.599 -6.472 234 HH TYR 25 HH TYR 25 -0.172 -15.776 -7.638 235 H THR 26 H THR 26 6.529 -15.747 -2.421 236 HA THR 26 HA THR 26 6.435 -13.945 -0.341 237 HB THR 26 HB THR 26 8.488 -14.670 -1.633 238 HG1 THR 26 HG1 THR 26 9.371 -12.368 -1.432 239 HG21 THR 26 3HG2 THR 26 9.173 -13.156 -3.485 240 HG22 THR 26 1HG2 THR 26 7.552 -12.464 -3.469 241 HG23 THR 26 2HG2 THR 26 7.782 -14.163 -3.882 242 H LEU 27 H LEU 27 5.164 -13.612 -3.550 243 HA LEU 27 HA LEU 27 4.985 -10.800 -3.669 244 HB2 LEU 27 2HB LEU 27 2.950 -12.566 -4.953 245 HB3 LEU 27 3HB LEU 27 3.690 -11.087 -5.562 246 HG LEU 27 HG LEU 27 4.978 -13.812 -5.407 247 HD11 LEU 27 1HD1 LEU 27 5.013 -12.794 -8.007 248 HD12 LEU 27 2HD1 LEU 27 3.387 -12.483 -7.400 249 HD13 LEU 27 3HD1 LEU 27 4.033 -14.124 -7.389 250 HD21 LEU 27 3HD2 LEU 27 6.491 -12.060 -6.990 251 HD22 LEU 27 1HD2 LEU 27 6.934 -12.765 -5.435 252 HD23 LEU 27 2HD2 LEU 27 6.141 -11.190 -5.496 253 H ARG 28 H ARG 28 2.955 -13.254 -2.219 254 HA ARG 28 HA ARG 28 0.570 -11.960 -1.855 255 HB2 ARG 28 2HB ARG 28 0.144 -13.418 -0.057 256 HB3 ARG 28 3HB ARG 28 1.258 -14.300 -1.093 257 HG2 ARG 28 2HG ARG 28 3.098 -13.376 0.440 258 HG3 ARG 28 3HG ARG 28 1.780 -13.005 1.554 259 HD2 ARG 28 2HD ARG 28 1.119 -15.327 1.607 260 HD3 ARG 28 3HD ARG 28 2.324 -15.730 0.385 261 HE ARG 28 HE ARG 28 3.810 -14.658 2.365 262 HH11 ARG 28 1HH1 ARG 28 1.383 -17.153 2.302 263 HH12 ARG 28 2HH1 ARG 28 2.068 -18.034 3.628 264 HH21 ARG 28 2HH2 ARG 28 3.966 -17.268 4.657 265 HH22 ARG 28 1HH2 ARG 28 4.721 -15.809 4.111 Start of MODEL 10 1 H1 LYS 1 H LYS 1 0.971 -1.805 0.710 2 HA LYS 1 HA LYS 1 1.115 -0.774 -1.998 3 HB2 LYS 1 2HB LYS 1 3.339 0.360 -1.436 4 HB3 LYS 1 3HB LYS 1 1.867 1.191 -0.950 5 HG2 LYS 1 2HG LYS 1 2.145 0.346 1.329 6 HG3 LYS 1 3HG LYS 1 3.631 -0.471 0.838 7 HD2 LYS 1 2HD LYS 1 4.826 1.413 0.984 8 HD3 LYS 1 3HD LYS 1 3.610 2.345 0.107 9 HE2 LYS 1 2HE LYS 1 3.958 3.187 2.389 10 HE3 LYS 1 3HE LYS 1 2.311 2.612 2.136 11 HZ1 LYS 1 3HZ LYS 1 2.833 0.592 3.290 12 HZ2 LYS 1 1HZ LYS 1 3.276 1.899 4.270 13 HZ3 LYS 1 2HZ LYS 1 4.461 1.028 3.434 14 H TYR 2 H TYR 2 1.071 -3.393 -1.180 15 HA TYR 2 HA TYR 2 3.860 -4.250 -1.594 16 HB2 TYR 2 2HB TYR 2 2.654 -4.829 0.635 17 HB3 TYR 2 3HB TYR 2 1.783 -6.014 -0.331 18 HD1 TYR 2 HD1 TYR 2 4.628 -5.467 1.653 19 HD2 TYR 2 HD2 TYR 2 3.320 -7.582 -1.799 20 HE1 TYR 2 HE1 TYR 2 6.496 -7.045 1.919 21 HE2 TYR 2 HE2 TYR 2 5.183 -9.167 -1.542 22 HH TYR 2 HH TYR 2 6.723 -9.813 0.915 23 H GLU 3 H GLU 3 0.545 -4.515 -2.580 24 HA GLU 3 HA GLU 3 0.337 -6.789 -4.012 25 HB2 GLU 3 2HB GLU 3 -0.553 -4.002 -4.706 26 HB3 GLU 3 3HB GLU 3 -0.921 -5.361 -5.758 27 HG2 GLU 3 2HG GLU 3 -1.605 -6.013 -3.055 28 HG3 GLU 3 3HG GLU 3 -2.350 -4.483 -3.516 29 H ILE 4 H ILE 4 1.094 -3.918 -5.929 30 HA ILE 4 HA ILE 4 3.307 -5.382 -7.194 31 HB ILE 4 HB ILE 4 1.237 -5.536 -8.594 32 HG12 ILE 4 2HG1 ILE 4 3.692 -4.115 -9.610 33 HG13 ILE 4 3HG1 ILE 4 3.287 -5.823 -9.739 34 HG21 ILE 4 1HG2 ILE 4 0.717 -3.023 -7.887 35 HG22 ILE 4 2HG2 ILE 4 1.551 -2.705 -9.407 36 HG23 ILE 4 3HG2 ILE 4 0.114 -3.728 -9.386 37 HD11 ILE 4 3HD1 ILE 4 1.398 -5.162 -11.241 38 HD12 ILE 4 1HD1 ILE 4 2.057 -3.527 -11.233 39 HD13 ILE 4 2HD1 ILE 4 3.013 -4.860 -11.882 40 H THR 5 H THR 5 1.832 -2.359 -6.292 41 HA THR 5 HA THR 5 3.298 -0.427 -7.486 42 HB THR 5 HB THR 5 1.567 -0.075 -5.694 43 HG1 THR 5 HG1 THR 5 3.123 1.570 -6.526 44 HG21 THR 5 3HG2 THR 5 2.563 -1.573 -4.008 45 HG22 THR 5 1HG2 THR 5 2.303 0.053 -3.378 46 HG23 THR 5 2HG2 THR 5 3.924 -0.463 -3.845 47 H THR 6 H THR 6 4.415 -2.618 -4.978 48 HA THR 6 HA THR 6 7.131 -1.521 -5.316 49 HB THR 6 HB THR 6 5.968 -1.235 -3.013 50 HG1 THR 6 HG1 THR 6 8.211 -0.899 -3.370 51 HG21 THR 6 3HG2 THR 6 6.173 -3.113 -1.504 52 HG22 THR 6 1HG2 THR 6 6.862 -4.110 -2.784 53 HG23 THR 6 2HG2 THR 6 5.182 -3.584 -2.884 54 H ILE 7 H ILE 7 5.087 -4.297 -5.310 55 HA ILE 7 HA ILE 7 6.827 -6.393 -4.894 56 HB ILE 7 HB ILE 7 4.229 -6.180 -5.768 57 HG12 ILE 7 2HG1 ILE 7 4.234 -8.655 -5.663 58 HG13 ILE 7 3HG1 ILE 7 5.994 -8.638 -5.681 59 HG21 ILE 7 1HG2 ILE 7 4.969 -5.970 -8.089 60 HG22 ILE 7 2HG2 ILE 7 5.831 -7.502 -7.954 61 HG23 ILE 7 3HG2 ILE 7 4.072 -7.467 -7.833 62 HD11 ILE 7 3HD1 ILE 7 5.494 -7.003 -3.590 63 HD12 ILE 7 1HD1 ILE 7 4.120 -8.104 -3.493 64 HD13 ILE 7 2HD1 ILE 7 5.765 -8.740 -3.459 65 H HIS 8 H HIS 8 6.351 -4.476 -7.821 66 HA HIS 8 HA HIS 8 7.831 -5.971 -9.626 67 HB2 HIS 8 2HB HIS 8 8.066 -3.947 -10.921 68 HB3 HIS 8 3HB HIS 8 6.467 -3.958 -10.184 69 HD1 HIS 8 HD1 HIS 8 7.759 -2.991 -7.337 70 HD2 HIS 8 HD2 HIS 8 8.015 -1.134 -11.045 71 HE1 HIS 8 HE1 HIS 8 8.224 -0.569 -6.845 72 H ASN 9 H ASN 9 8.896 -4.128 -6.921 73 HA ASN 9 HA ASN 9 11.662 -4.077 -7.852 74 HB2 ASN 9 2HB ASN 9 10.596 -2.098 -6.691 75 HB3 ASN 9 3HB ASN 9 10.587 -3.062 -5.218 76 HD21 ASN 9 2HD2 ASN 9 14.188 -1.886 -6.780 77 HD22 ASN 9 1HD2 ASN 9 12.849 -2.216 -7.821 78 H LEU 10 H LEU 10 9.592 -5.714 -5.569 79 HA LEU 10 HA LEU 10 11.802 -7.028 -4.234 80 HB2 LEU 10 2HB LEU 10 10.250 -6.958 -2.636 81 HB3 LEU 10 3HB LEU 10 8.952 -6.684 -3.796 82 HG LEU 10 HG LEU 10 10.067 -9.435 -3.429 83 HD11 LEU 10 1HD1 LEU 10 9.482 -9.436 -1.281 84 HD12 LEU 10 2HD1 LEU 10 7.813 -9.344 -1.843 85 HD13 LEU 10 3HD1 LEU 10 8.681 -7.870 -1.414 86 HD21 LEU 10 3HD2 LEU 10 8.574 -9.528 -5.144 87 HD22 LEU 10 1HD2 LEU 10 7.631 -8.162 -4.547 88 HD23 LEU 10 2HD2 LEU 10 7.457 -9.748 -3.796 89 H PHE 11 H PHE 11 9.682 -7.612 -6.888 90 HA PHE 11 HA PHE 11 9.410 -10.289 -7.114 91 HB2 PHE 11 2HB PHE 11 9.915 -8.135 -9.097 92 HB3 PHE 11 3HB PHE 11 10.091 -9.794 -9.662 93 HD1 PHE 11 HD1 PHE 11 8.040 -7.709 -10.558 94 HD2 PHE 11 HD2 PHE 11 7.909 -10.827 -7.663 95 HE1 PHE 11 HE1 PHE 11 5.601 -7.865 -10.841 96 HE2 PHE 11 HE2 PHE 11 5.470 -10.989 -7.942 97 HZ PHE 11 HZ PHE 11 4.313 -9.507 -9.533 98 H ARG 12 H ARG 12 10.824 -11.824 -6.590 99 HA ARG 12 HA ARG 12 13.578 -11.628 -6.503 100 HB2 ARG 12 2HB ARG 12 12.166 -14.206 -7.158 101 HB3 ARG 12 3HB ARG 12 13.635 -13.976 -6.220 102 HG2 ARG 12 2HG ARG 12 10.807 -13.373 -5.419 103 HG3 ARG 12 3HG ARG 12 11.946 -14.494 -4.670 104 HD2 ARG 12 2HD ARG 12 12.320 -11.505 -4.770 105 HD3 ARG 12 3HD ARG 12 11.609 -12.369 -3.407 106 HE ARG 12 HE ARG 12 14.389 -12.194 -4.082 107 HH11 ARG 12 1HH1 ARG 12 11.963 -14.133 -2.509 108 HH12 ARG 12 2HH1 ARG 12 13.090 -14.924 -1.457 109 HH21 ARG 12 2HH2 ARG 12 15.319 -14.408 -1.567 110 HH22 ARG 12 1HH2 ARG 12 15.883 -13.228 -2.702 111 H LYS 13 H LYS 13 11.511 -12.679 -9.169 112 HA LYS 13 HA LYS 13 13.871 -12.587 -10.933 113 HB2 LYS 13 2HB LYS 13 11.986 -14.128 -12.260 114 HB3 LYS 13 3HB LYS 13 13.416 -14.723 -11.426 115 HG2 LYS 13 2HG LYS 13 11.243 -14.277 -9.581 116 HG3 LYS 13 3HG LYS 13 10.770 -15.366 -10.887 117 HD2 LYS 13 2HD LYS 13 11.719 -16.571 -8.959 118 HD3 LYS 13 3HD LYS 13 12.677 -16.793 -10.425 119 HE2 LYS 13 2HE LYS 13 13.814 -14.569 -9.284 120 HE3 LYS 13 3HE LYS 13 13.391 -15.550 -7.881 121 HZ1 LYS 13 3HZ LYS 13 15.615 -15.844 -9.419 122 HZ2 LYS 13 1HZ LYS 13 14.603 -17.080 -9.976 123 HZ3 LYS 13 2HZ LYS 13 15.004 -16.992 -8.336 124 H LEU 14 H LEU 14 10.608 -13.065 -12.056 125 HA LEU 14 HA LEU 14 10.687 -10.385 -13.273 126 HB2 LEU 14 2HB LEU 14 10.751 -11.987 -14.997 127 HB3 LEU 14 3HB LEU 14 9.523 -12.985 -14.221 128 HG LEU 14 HG LEU 14 8.308 -10.502 -14.754 129 HD11 LEU 14 1HD1 LEU 14 8.666 -10.865 -17.386 130 HD12 LEU 14 2HD1 LEU 14 10.274 -11.295 -16.805 131 HD13 LEU 14 3HD1 LEU 14 9.596 -9.711 -16.429 132 HD21 LEU 14 3HD2 LEU 14 6.698 -11.836 -15.574 133 HD22 LEU 14 1HD2 LEU 14 7.693 -13.138 -14.922 134 HD23 LEU 14 2HD2 LEU 14 7.813 -12.708 -16.628 135 H THR 15 H THR 15 7.931 -12.557 -13.129 136 HA THR 15 HA THR 15 6.589 -10.692 -11.287 137 HB THR 15 HB THR 15 5.571 -11.776 -13.901 138 HG1 THR 15 HG1 THR 15 6.271 -9.736 -14.164 139 HG21 THR 15 3HG2 THR 15 3.770 -10.467 -11.889 140 HG22 THR 15 1HG2 THR 15 3.988 -12.216 -11.910 141 HG23 THR 15 2HG2 THR 15 3.340 -11.391 -13.328 142 H HIS 16 H HIS 16 5.698 -13.722 -12.938 143 HA HIS 16 HA HIS 16 5.342 -14.968 -10.296 144 HB2 HIS 16 2HB HIS 16 3.367 -16.201 -11.430 145 HB3 HIS 16 3HB HIS 16 3.119 -14.545 -10.881 146 HD1 HIS 16 HD1 HIS 16 4.820 -15.509 -14.115 147 HD2 HIS 16 HD2 HIS 16 1.289 -13.776 -12.775 148 HE1 HIS 16 HE1 HIS 16 3.663 -14.657 -16.179 149 H ARG 17 H ARG 17 7.270 -15.041 -12.748 150 HA ARG 17 HA ARG 17 7.281 -17.353 -14.135 151 HB2 ARG 17 2HB ARG 17 9.277 -15.512 -13.228 152 HB3 ARG 17 3HB ARG 17 9.909 -17.148 -13.088 153 HG2 ARG 17 2HG ARG 17 10.418 -16.051 -15.249 154 HG3 ARG 17 3HG ARG 17 9.525 -17.564 -15.412 155 HD2 ARG 17 2HD ARG 17 7.644 -16.532 -16.168 156 HD3 ARG 17 3HD ARG 17 7.936 -15.072 -15.223 157 HE ARG 17 HE ARG 17 9.889 -14.960 -17.063 158 HH11 ARG 17 1HH1 ARG 17 6.460 -15.508 -17.319 159 HH12 ARG 17 2HH1 ARG 17 6.332 -14.796 -18.893 160 HH21 ARG 17 2HH2 ARG 17 8.194 -13.951 -19.926 161 HH22 ARG 17 1HH2 ARG 17 9.732 -14.020 -19.136 162 H LEU 18 H LEU 18 9.358 -17.340 -11.273 163 HA LEU 18 HA LEU 18 8.178 -19.905 -10.453 164 HB2 LEU 18 2HB LEU 18 10.381 -20.793 -9.980 165 HB3 LEU 18 3HB LEU 18 10.243 -20.342 -11.678 166 HG LEU 18 HG LEU 18 11.415 -18.295 -9.909 167 HD11 LEU 18 1HD1 LEU 18 12.526 -20.084 -8.873 168 HD12 LEU 18 2HD1 LEU 18 13.653 -19.489 -10.092 169 HD13 LEU 18 3HD1 LEU 18 12.721 -20.956 -10.394 170 HD21 LEU 18 3HD2 LEU 18 13.093 -18.583 -11.971 171 HD22 LEU 18 1HD2 LEU 18 11.611 -17.632 -12.065 172 HD23 LEU 18 2HD2 LEU 18 11.640 -19.281 -12.688 173 H PHE 19 H PHE 19 7.317 -17.704 -9.240 174 HA PHE 19 HA PHE 19 8.943 -17.116 -6.912 175 HB2 PHE 19 2HB PHE 19 6.176 -16.164 -7.681 176 HB3 PHE 19 3HB PHE 19 7.108 -15.572 -6.310 177 HD1 PHE 19 HD1 PHE 19 8.514 -13.753 -6.568 178 HD2 PHE 19 HD2 PHE 19 7.255 -15.919 -10.009 179 HE1 PHE 19 HE1 PHE 19 9.566 -12.062 -8.013 180 HE2 PHE 19 HE2 PHE 19 8.306 -14.233 -11.459 181 HZ PHE 19 HZ PHE 19 9.464 -12.301 -10.462 182 H ARG 20 H ARG 20 7.811 -19.830 -7.395 183 HA ARG 20 HA ARG 20 6.456 -20.110 -4.801 184 HB2 ARG 20 2HB ARG 20 5.726 -21.592 -7.334 185 HB3 ARG 20 3HB ARG 20 5.018 -21.864 -5.748 186 HG2 ARG 20 2HG ARG 20 3.443 -20.423 -6.363 187 HG3 ARG 20 3HG ARG 20 4.659 -19.164 -6.138 188 HD2 ARG 20 2HD ARG 20 5.338 -19.538 -8.528 189 HD3 ARG 20 3HD ARG 20 3.926 -20.581 -8.692 190 HE ARG 20 HE ARG 20 3.957 -17.728 -8.676 191 HH11 ARG 20 1HH1 ARG 20 2.055 -20.520 -7.835 192 HH12 ARG 20 2HH1 ARG 20 0.540 -19.690 -7.970 193 HH21 ARG 20 2HH2 ARG 20 0.492 -17.475 -8.553 194 HH22 ARG 20 1HH2 ARG 20 1.969 -16.625 -8.857 195 H ARG 21 H ARG 21 8.994 -20.958 -6.791 196 HA ARG 21 HA ARG 21 9.401 -23.671 -6.206 197 HB2 ARG 21 2HB ARG 21 11.297 -21.441 -6.918 198 HB3 ARG 21 3HB ARG 21 11.852 -23.089 -6.654 199 HG2 ARG 21 2HG ARG 21 9.731 -22.370 -8.659 200 HG3 ARG 21 3HG ARG 21 11.452 -22.440 -9.045 201 HD2 ARG 21 2HD ARG 21 11.110 -24.826 -7.815 202 HD3 ARG 21 3HD ARG 21 9.525 -24.611 -8.557 203 HE ARG 21 HE ARG 21 11.989 -25.186 -9.893 204 HH11 ARG 21 1HH1 ARG 21 8.873 -23.670 -10.230 205 HH12 ARG 21 2HH1 ARG 21 8.830 -23.845 -11.954 206 HH21 ARG 21 2HH2 ARG 21 10.576 -24.842 -13.051 207 HH22 ARG 21 1HH2 ARG 21 11.943 -25.422 -12.162 208 H ASN 22 H ASN 22 11.253 -20.958 -4.815 209 HA ASN 22 HA ASN 22 11.620 -22.563 -2.384 210 HB2 ASN 22 2HB ASN 22 13.190 -20.313 -3.620 211 HB3 ASN 22 3HB ASN 22 13.403 -20.742 -1.925 212 HD21 ASN 22 2HD2 ASN 22 15.107 -23.737 -2.552 213 HD22 ASN 22 1HD2 ASN 22 14.178 -22.834 -1.409 214 H PHE 23 H PHE 23 10.556 -19.412 -3.542 215 HA PHE 23 HA PHE 23 9.758 -18.655 -0.828 216 HB2 PHE 23 2HB PHE 23 9.075 -16.573 -2.559 217 HB3 PHE 23 3HB PHE 23 10.488 -16.651 -1.511 218 HD1 PHE 23 HD1 PHE 23 12.564 -17.864 -2.483 219 HD2 PHE 23 HD2 PHE 23 9.354 -16.361 -4.839 220 HE1 PHE 23 HE1 PHE 23 14.033 -17.830 -4.457 221 HE2 PHE 23 HE2 PHE 23 10.817 -16.325 -6.816 222 HZ PHE 23 HZ PHE 23 13.159 -17.061 -6.627 223 H GLY 24 H GLY 24 7.899 -19.773 -0.415 224 HA2 GLY 24 2HA GLY 24 5.866 -20.689 -1.784 225 HA3 GLY 24 3HA GLY 24 5.544 -19.709 -0.362 226 H TYR 25 H TYR 25 4.894 -17.557 -0.607 227 HA TYR 25 HA TYR 25 4.382 -16.631 -3.339 228 HB2 TYR 25 2HB TYR 25 2.375 -17.799 -1.947 229 HB3 TYR 25 3HB TYR 25 2.196 -16.133 -1.409 230 HD1 TYR 25 HD1 TYR 25 3.454 -15.354 -4.339 231 HD2 TYR 25 HD2 TYR 25 0.045 -17.446 -2.887 232 HE1 TYR 25 HE1 TYR 25 2.247 -14.815 -6.413 233 HE2 TYR 25 HE2 TYR 25 -1.170 -16.914 -4.958 234 HH TYR 25 HH TYR 25 -0.826 -14.811 -6.804 235 H THR 26 H THR 26 6.414 -15.588 -2.067 236 HA THR 26 HA THR 26 6.126 -13.611 -0.181 237 HB THR 26 HB THR 26 8.286 -14.393 -1.239 238 HG1 THR 26 HG1 THR 26 7.623 -11.741 -0.615 239 HG21 THR 26 3HG2 THR 26 9.088 -13.044 -3.166 240 HG22 THR 26 1HG2 THR 26 7.462 -12.384 -3.337 241 HG23 THR 26 2HG2 THR 26 7.743 -14.109 -3.573 242 H LEU 27 H LEU 27 5.163 -13.563 -3.523 243 HA LEU 27 HA LEU 27 4.936 -10.792 -3.908 244 HB2 LEU 27 2HB LEU 27 3.018 -12.732 -5.133 245 HB3 LEU 27 3HB LEU 27 3.730 -11.279 -5.832 246 HG LEU 27 HG LEU 27 5.067 -13.947 -5.409 247 HD11 LEU 27 1HD1 LEU 27 4.084 -12.420 -7.786 248 HD12 LEU 27 2HD1 LEU 27 3.818 -14.108 -7.355 249 HD13 LEU 27 3HD1 LEU 27 5.397 -13.587 -7.942 250 HD21 LEU 27 3HD2 LEU 27 6.226 -11.340 -5.455 251 HD22 LEU 27 1HD2 LEU 27 6.680 -12.198 -6.927 252 HD23 LEU 27 2HD2 LEU 27 7.026 -12.909 -5.350 253 H ARG 28 H ARG 28 2.788 -13.134 -2.416 254 HA ARG 28 HA ARG 28 0.408 -11.771 -2.316 255 HB2 ARG 28 2HB ARG 28 -0.202 -13.143 -0.513 256 HB3 ARG 28 3HB ARG 28 0.991 -14.090 -1.391 257 HG2 ARG 28 2HG ARG 28 2.688 -13.095 0.268 258 HG3 ARG 28 3HG ARG 28 1.269 -12.678 1.230 259 HD2 ARG 28 2HD ARG 28 1.151 -15.408 0.277 260 HD3 ARG 28 3HD ARG 28 2.620 -15.108 1.205 261 HE ARG 28 HE ARG 28 0.473 -14.033 2.625 262 HH11 ARG 28 1HH1 ARG 28 1.652 -17.142 1.593 263 HH12 ARG 28 2HH1 ARG 28 0.954 -17.995 2.930 264 HH21 ARG 28 2HH2 ARG 28 -0.242 -16.859 4.519 265 HH22 ARG 28 1HH2 ARG 28 -0.450 -15.145 4.389 Start of MODEL 11 1 H1 LYS 1 H LYS 1 -0.730 -2.218 1.127 2 HA LYS 1 HA LYS 1 -0.176 -1.495 -0.985 3 HB2 LYS 1 2HB LYS 1 1.366 0.466 -1.250 4 HB3 LYS 1 3HB LYS 1 -0.091 0.803 -0.324 5 HG2 LYS 1 2HG LYS 1 1.067 1.356 1.493 6 HG3 LYS 1 3HG LYS 1 2.127 -0.048 1.350 7 HD2 LYS 1 2HD LYS 1 3.450 1.121 -0.342 8 HD3 LYS 1 3HD LYS 1 2.383 2.521 -0.214 9 HE2 LYS 1 2HE LYS 1 3.067 2.929 2.033 10 HE3 LYS 1 3HE LYS 1 3.934 1.396 2.109 11 HZ1 LYS 1 3HZ LYS 1 5.666 2.758 1.667 12 HZ2 LYS 1 1HZ LYS 1 4.721 3.916 0.873 13 HZ3 LYS 1 2HZ LYS 1 5.179 2.501 0.068 14 H TYR 2 H TYR 2 0.834 -3.750 -0.335 15 HA TYR 2 HA TYR 2 3.718 -3.594 -0.922 16 HB2 TYR 2 2HB TYR 2 3.318 -4.446 1.342 17 HB3 TYR 2 3HB TYR 2 2.262 -5.697 0.695 18 HD1 TYR 2 HD1 TYR 2 3.151 -7.707 -0.212 19 HD2 TYR 2 HD2 TYR 2 5.761 -4.518 0.848 20 HE1 TYR 2 HE1 TYR 2 5.082 -9.209 -0.471 21 HE2 TYR 2 HE2 TYR 2 7.698 -6.011 0.591 22 HH TYR 2 HH TYR 2 8.066 -8.590 0.732 23 H GLU 3 H GLU 3 0.723 -4.495 -2.072 24 HA GLU 3 HA GLU 3 0.969 -6.902 -3.329 25 HB2 GLU 3 2HB GLU 3 -0.393 -4.354 -4.083 26 HB3 GLU 3 3HB GLU 3 -0.331 -5.654 -5.265 27 HG2 GLU 3 2HG GLU 3 -1.364 -6.039 -2.472 28 HG3 GLU 3 3HG GLU 3 -2.390 -5.554 -3.821 29 H ILE 4 H ILE 4 1.398 -4.006 -5.319 30 HA ILE 4 HA ILE 4 3.824 -5.221 -6.462 31 HB ILE 4 HB ILE 4 1.805 -5.470 -7.951 32 HG12 ILE 4 2HG1 ILE 4 4.193 -3.875 -8.892 33 HG13 ILE 4 3HG1 ILE 4 3.996 -5.624 -8.920 34 HG21 ILE 4 1HG2 ILE 4 2.056 -2.469 -8.056 35 HG22 ILE 4 2HG2 ILE 4 1.128 -3.429 -9.207 36 HG23 ILE 4 3HG2 ILE 4 0.669 -3.408 -7.504 37 HD11 ILE 4 3HD1 ILE 4 1.939 -5.016 -10.449 38 HD12 ILE 4 1HD1 ILE 4 2.889 -3.558 -10.733 39 HD13 ILE 4 2HD1 ILE 4 3.574 -5.143 -11.098 40 H THR 5 H THR 5 2.200 -2.437 -5.291 41 HA THR 5 HA THR 5 3.172 -0.209 -6.272 42 HB THR 5 HB THR 5 3.427 0.772 -4.088 43 HG1 THR 5 HG1 THR 5 3.498 -0.632 -2.227 44 HG21 THR 5 3HG2 THR 5 1.304 0.372 -3.245 45 HG22 THR 5 1HG2 THR 5 1.372 -1.352 -3.606 46 HG23 THR 5 2HG2 THR 5 1.150 -0.186 -4.910 47 H THR 6 H THR 6 5.225 -2.276 -4.217 48 HA THR 6 HA THR 6 7.571 -1.156 -5.600 49 HB THR 6 HB THR 6 7.250 -0.301 -3.213 50 HG1 THR 6 HG1 THR 6 9.674 -1.727 -3.633 51 HG21 THR 6 3HG2 THR 6 7.936 -1.770 -1.412 52 HG22 THR 6 1HG2 THR 6 8.182 -3.096 -2.548 53 HG23 THR 6 2HG2 THR 6 6.557 -2.476 -2.254 54 H ILE 7 H ILE 7 5.786 -3.858 -4.920 55 HA ILE 7 HA ILE 7 7.577 -5.871 -4.313 56 HB ILE 7 HB ILE 7 4.940 -5.828 -4.949 57 HG12 ILE 7 2HG1 ILE 7 4.989 -8.250 -4.626 58 HG13 ILE 7 3HG1 ILE 7 6.712 -8.281 -4.985 59 HG21 ILE 7 1HG2 ILE 7 5.467 -5.747 -7.360 60 HG22 ILE 7 2HG2 ILE 7 6.283 -7.302 -7.209 61 HG23 ILE 7 3HG2 ILE 7 4.550 -7.183 -6.909 62 HD11 ILE 7 3HD1 ILE 7 7.265 -7.238 -2.974 63 HD12 ILE 7 1HD1 ILE 7 5.613 -6.681 -2.706 64 HD13 ILE 7 2HD1 ILE 7 6.004 -8.394 -2.545 65 H HIS 8 H HIS 8 6.899 -4.376 -7.438 66 HA HIS 8 HA HIS 8 8.270 -6.100 -9.118 67 HB2 HIS 8 2HB HIS 8 8.406 -4.277 -10.685 68 HB3 HIS 8 3HB HIS 8 6.867 -4.159 -9.837 69 HD1 HIS 8 HD1 HIS 8 8.135 -2.782 -7.250 70 HD2 HIS 8 HD2 HIS 8 8.610 -1.560 -11.193 71 HE1 HIS 8 HE1 HIS 8 8.716 -0.338 -7.132 72 H ASN 9 H ASN 9 9.497 -3.803 -6.828 73 HA ASN 9 HA ASN 9 12.167 -3.765 -7.913 74 HB2 ASN 9 2HB ASN 9 11.031 -1.900 -6.557 75 HB3 ASN 9 3HB ASN 9 11.388 -2.883 -5.140 76 HD21 ASN 9 2HD2 ASN 9 14.647 -1.806 -4.893 77 HD22 ASN 9 1HD2 ASN 9 13.277 -2.594 -4.195 78 H LEU 10 H LEU 10 10.400 -5.569 -5.510 79 HA LEU 10 HA LEU 10 12.838 -6.851 -4.539 80 HB2 LEU 10 2HB LEU 10 11.677 -6.749 -2.644 81 HB3 LEU 10 3HB LEU 10 10.182 -6.374 -3.499 82 HG LEU 10 HG LEU 10 11.195 -9.192 -3.318 83 HD11 LEU 10 1HD1 LEU 10 9.367 -9.201 -1.398 84 HD12 LEU 10 2HD1 LEU 10 9.934 -7.543 -1.200 85 HD13 LEU 10 3HD1 LEU 10 11.071 -8.885 -1.069 86 HD21 LEU 10 3HD2 LEU 10 8.751 -7.805 -4.189 87 HD22 LEU 10 1HD2 LEU 10 8.496 -9.267 -3.236 88 HD23 LEU 10 2HD2 LEU 10 9.442 -9.337 -4.723 89 H PHE 11 H PHE 11 10.352 -7.340 -6.809 90 HA PHE 11 HA PHE 11 9.888 -10.027 -6.888 91 HB2 PHE 11 2HB PHE 11 10.028 -7.891 -8.927 92 HB3 PHE 11 3HB PHE 11 10.143 -9.536 -9.542 93 HD1 PHE 11 HD1 PHE 11 8.352 -10.416 -6.991 94 HD2 PHE 11 HD2 PHE 11 7.929 -7.733 -10.268 95 HE1 PHE 11 HE1 PHE 11 5.905 -10.639 -6.853 96 HE2 PHE 11 HE2 PHE 11 5.482 -7.951 -10.135 97 HZ PHE 11 HZ PHE 11 4.467 -9.405 -8.425 98 H ARG 12 H ARG 12 11.215 -11.705 -6.806 99 HA ARG 12 HA ARG 12 13.982 -11.590 -7.189 100 HB2 ARG 12 2HB ARG 12 13.425 -13.414 -5.928 101 HB3 ARG 12 3HB ARG 12 11.973 -13.751 -6.861 102 HG2 ARG 12 2HG ARG 12 13.670 -15.504 -7.094 103 HG3 ARG 12 3HG ARG 12 13.292 -14.727 -8.633 104 HD2 ARG 12 2HD ARG 12 15.428 -14.193 -8.912 105 HD3 ARG 12 3HD ARG 12 15.421 -13.301 -7.391 106 HE ARG 12 HE ARG 12 15.667 -16.020 -6.803 107 HH11 ARG 12 1HH1 ARG 12 17.479 -13.477 -8.341 108 HH12 ARG 12 2HH1 ARG 12 19.022 -14.160 -7.948 109 HH21 ARG 12 2HH2 ARG 12 19.142 -16.125 -6.776 110 HH22 ARG 12 1HH2 ARG 12 17.692 -16.930 -6.279 111 H LYS 13 H LYS 13 11.630 -13.309 -9.253 112 HA LYS 13 HA LYS 13 13.526 -13.192 -11.467 113 HB2 LYS 13 2HB LYS 13 12.515 -15.341 -11.095 114 HB3 LYS 13 3HB LYS 13 10.901 -14.642 -11.107 115 HG2 LYS 13 2HG LYS 13 11.785 -15.901 -13.195 116 HG3 LYS 13 3HG LYS 13 10.871 -14.404 -13.394 117 HD2 LYS 13 2HD LYS 13 12.734 -13.191 -14.000 118 HD3 LYS 13 3HD LYS 13 13.844 -14.276 -13.158 119 HE2 LYS 13 2HE LYS 13 12.337 -15.498 -15.366 120 HE3 LYS 13 3HE LYS 13 13.467 -14.233 -15.847 121 HZ1 LYS 13 3HZ LYS 13 14.162 -16.603 -14.198 122 HZ2 LYS 13 1HZ LYS 13 15.236 -15.411 -14.733 123 HZ3 LYS 13 2HZ LYS 13 14.488 -16.437 -15.849 124 H LEU 14 H LEU 14 10.066 -13.188 -11.946 125 HA LEU 14 HA LEU 14 10.281 -10.526 -13.191 126 HB2 LEU 14 2HB LEU 14 10.023 -12.035 -14.967 127 HB3 LEU 14 3HB LEU 14 8.838 -12.998 -14.088 128 HG LEU 14 HG LEU 14 7.731 -10.419 -14.389 129 HD11 LEU 14 1HD1 LEU 14 8.868 -9.670 -16.193 130 HD12 LEU 14 2HD1 LEU 14 7.724 -10.705 -17.047 131 HD13 LEU 14 3HD1 LEU 14 9.352 -11.288 -16.702 132 HD21 LEU 14 3HD2 LEU 14 5.944 -11.623 -15.020 133 HD22 LEU 14 1HD2 LEU 14 6.925 -13.008 -14.541 134 HD23 LEU 14 2HD2 LEU 14 6.851 -12.523 -16.236 135 H THR 15 H THR 15 7.404 -12.509 -12.765 136 HA THR 15 HA THR 15 6.404 -10.568 -10.787 137 HB THR 15 HB THR 15 5.035 -11.587 -13.260 138 HG1 THR 15 HG1 THR 15 4.457 -9.269 -13.256 139 HG21 THR 15 3HG2 THR 15 3.500 -10.168 -11.123 140 HG22 THR 15 1HG2 THR 15 3.697 -11.918 -11.037 141 HG23 THR 15 2HG2 THR 15 2.912 -11.186 -12.437 142 H HIS 16 H HIS 16 5.350 -13.628 -12.297 143 HA HIS 16 HA HIS 16 5.054 -14.755 -9.594 144 HB2 HIS 16 2HB HIS 16 3.075 -16.055 -10.653 145 HB3 HIS 16 3HB HIS 16 2.821 -14.383 -10.163 146 HD1 HIS 16 HD1 HIS 16 4.455 -15.508 -13.385 147 HD2 HIS 16 HD2 HIS 16 0.989 -13.644 -12.056 148 HE1 HIS 16 HE1 HIS 16 3.271 -14.729 -15.463 149 H ARG 17 H ARG 17 6.881 -14.932 -12.164 150 HA ARG 17 HA ARG 17 6.844 -17.396 -13.317 151 HB2 ARG 17 2HB ARG 17 8.508 -15.595 -13.773 152 HB3 ARG 17 3HB ARG 17 9.344 -16.042 -12.292 153 HG2 ARG 17 2HG ARG 17 10.561 -17.411 -13.546 154 HG3 ARG 17 3HG ARG 17 9.125 -18.430 -13.656 155 HD2 ARG 17 2HD ARG 17 8.655 -16.535 -15.577 156 HD3 ARG 17 3HD ARG 17 10.402 -16.749 -15.678 157 HE ARG 17 HE ARG 17 8.386 -18.616 -16.482 158 HH11 ARG 17 1HH1 ARG 17 11.654 -18.298 -15.324 159 HH12 ARG 17 2HH1 ARG 17 12.181 -19.800 -16.007 160 HH21 ARG 17 2HH2 ARG 17 10.709 -21.107 -17.181 161 HH22 ARG 17 1HH2 ARG 17 9.068 -20.597 -17.386 162 H LEU 18 H LEU 18 9.158 -16.872 -10.680 163 HA LEU 18 HA LEU 18 8.339 -19.456 -9.534 164 HB2 LEU 18 2HB LEU 18 10.671 -19.958 -9.054 165 HB3 LEU 18 3HB LEU 18 10.399 -19.759 -10.784 166 HG LEU 18 HG LEU 18 11.347 -17.371 -9.316 167 HD11 LEU 18 1HD1 LEU 18 13.380 -19.425 -10.059 168 HD12 LEU 18 2HD1 LEU 18 12.603 -19.495 -8.478 169 HD13 LEU 18 3HD1 LEU 18 13.511 -18.059 -8.950 170 HD21 LEU 18 3HD2 LEU 18 12.815 -17.333 -11.406 171 HD22 LEU 18 1HD2 LEU 18 11.081 -17.101 -11.627 172 HD23 LEU 18 2HD2 LEU 18 11.813 -18.665 -11.986 173 H PHE 19 H PHE 19 7.146 -17.454 -8.417 174 HA PHE 19 HA PHE 19 8.778 -16.513 -6.167 175 HB2 PHE 19 2HB PHE 19 6.045 -15.589 -7.079 176 HB3 PHE 19 3HB PHE 19 6.994 -14.876 -5.779 177 HD1 PHE 19 HD1 PHE 19 8.567 -13.210 -6.220 178 HD2 PHE 19 HD2 PHE 19 6.989 -15.522 -9.428 179 HE1 PHE 19 HE1 PHE 19 9.648 -11.701 -7.835 180 HE2 PHE 19 HE2 PHE 19 8.068 -14.017 -11.047 181 HZ PHE 19 HZ PHE 19 9.400 -12.104 -10.252 182 H ARG 20 H ARG 20 7.015 -19.110 -6.816 183 HA ARG 20 HA ARG 20 6.007 -19.314 -4.059 184 HB2 ARG 20 2HB ARG 20 4.075 -20.549 -4.817 185 HB3 ARG 20 3HB ARG 20 4.137 -19.008 -5.662 186 HG2 ARG 20 2HG ARG 20 5.544 -20.977 -7.182 187 HG3 ARG 20 3HG ARG 20 3.939 -21.582 -6.765 188 HD2 ARG 20 2HD ARG 20 3.272 -19.105 -7.499 189 HD3 ARG 20 3HD ARG 20 4.731 -19.291 -8.471 190 HE ARG 20 HE ARG 20 3.208 -21.574 -8.860 191 HH11 ARG 20 1HH1 ARG 20 2.926 -18.151 -9.429 192 HH12 ARG 20 2HH1 ARG 20 1.900 -18.334 -10.813 193 HH21 ARG 20 2HH2 ARG 20 1.292 -20.425 -11.524 194 HH22 ARG 20 1HH2 ARG 20 1.857 -21.827 -10.681 195 H ARG 21 H ARG 21 8.497 -20.205 -5.493 196 HA ARG 21 HA ARG 21 8.226 -23.116 -5.235 197 HB2 ARG 21 2HB ARG 21 10.457 -21.461 -6.431 198 HB3 ARG 21 3HB ARG 21 10.412 -23.218 -6.378 199 HG2 ARG 21 2HG ARG 21 8.399 -23.200 -7.778 200 HG3 ARG 21 3HG ARG 21 8.481 -21.439 -7.850 201 HD2 ARG 21 2HD ARG 21 9.643 -21.817 -9.740 202 HD3 ARG 21 3HD ARG 21 10.986 -22.087 -8.630 203 HE ARG 21 HE ARG 21 9.749 -24.526 -8.891 204 HH11 ARG 21 1HH1 ARG 21 11.252 -22.228 -11.031 205 HH12 ARG 21 2HH1 ARG 21 11.774 -23.429 -12.166 206 HH21 ARG 21 2HH2 ARG 21 11.305 -25.641 -11.793 207 HH22 ARG 21 1HH2 ARG 21 10.431 -26.116 -10.376 208 H ASN 22 H ASN 22 10.245 -20.403 -4.159 209 HA ASN 22 HA ASN 22 11.141 -22.081 -1.907 210 HB2 ASN 22 2HB ASN 22 12.637 -20.282 -3.721 211 HB3 ASN 22 3HB ASN 22 13.056 -20.169 -2.014 212 HD21 ASN 22 2HD2 ASN 22 15.276 -22.774 -2.476 213 HD22 ASN 22 1HD2 ASN 22 14.991 -21.140 -1.993 214 H PHE 23 H PHE 23 9.800 -19.066 -2.954 215 HA PHE 23 HA PHE 23 9.789 -18.079 -0.182 216 HB2 PHE 23 2HB PHE 23 8.867 -16.086 -1.999 217 HB3 PHE 23 3HB PHE 23 10.335 -16.085 -1.028 218 HD1 PHE 23 HD1 PHE 23 9.299 -15.479 -4.160 219 HD2 PHE 23 HD2 PHE 23 12.063 -18.009 -2.141 220 HE1 PHE 23 HE1 PHE 23 10.648 -15.637 -6.212 221 HE2 PHE 23 HE2 PHE 23 13.416 -18.170 -4.189 222 HZ PHE 23 HZ PHE 23 12.710 -16.983 -6.228 223 H GLY 24 H GLY 24 7.940 -18.167 0.905 224 HA2 GLY 24 2HA GLY 24 5.601 -19.305 0.050 225 HA3 GLY 24 3HA GLY 24 5.684 -18.142 1.365 226 H TYR 25 H TYR 25 5.141 -18.550 -2.077 227 HA TYR 25 HA TYR 25 4.803 -16.386 -3.368 228 HB2 TYR 25 2HB TYR 25 3.468 -18.533 -3.742 229 HB3 TYR 25 3HB TYR 25 2.211 -17.799 -2.754 230 HD1 TYR 25 HD1 TYR 25 4.408 -16.171 -5.276 231 HD2 TYR 25 HD2 TYR 25 0.470 -17.430 -4.271 232 HE1 TYR 25 HE1 TYR 25 3.536 -15.007 -7.259 233 HE2 TYR 25 HE2 TYR 25 -0.412 -16.271 -6.252 234 HH TYR 25 HH TYR 25 0.075 -15.084 -8.061 235 H THR 26 H THR 26 5.129 -14.584 -1.993 236 HA THR 26 HA THR 26 3.282 -13.774 -0.009 237 HB THR 26 HB THR 26 5.557 -12.914 -0.004 238 HG1 THR 26 HG1 THR 26 4.737 -11.201 0.911 239 HG21 THR 26 3HG2 THR 26 4.831 -11.353 -2.482 240 HG22 THR 26 1HG2 THR 26 5.797 -12.828 -2.495 241 HG23 THR 26 2HG2 THR 26 6.390 -11.392 -1.660 242 H LEU 27 H LEU 27 3.297 -13.505 -3.444 243 HA LEU 27 HA LEU 27 1.472 -11.289 -3.588 244 HB2 LEU 27 2HB LEU 27 1.937 -13.247 -5.804 245 HB3 LEU 27 3HB LEU 27 1.569 -11.527 -5.903 246 HG LEU 27 HG LEU 27 4.183 -12.503 -4.797 247 HD11 LEU 27 1HD1 LEU 27 4.307 -11.592 -7.539 248 HD12 LEU 27 2HD1 LEU 27 3.329 -13.050 -7.376 249 HD13 LEU 27 3HD1 LEU 27 4.995 -13.036 -6.796 250 HD21 LEU 27 3HD2 LEU 27 3.229 -10.090 -4.614 251 HD22 LEU 27 1HD2 LEU 27 3.690 -9.975 -6.312 252 HD23 LEU 27 2HD2 LEU 27 4.911 -10.332 -5.090 253 H ARG 28 H ARG 28 1.135 -14.515 -2.790 254 HA ARG 28 HA ARG 28 -1.174 -15.377 -4.031 255 HB2 ARG 28 2HB ARG 28 -1.461 -16.897 -2.219 256 HB3 ARG 28 3HB ARG 28 0.271 -16.679 -2.429 257 HG2 ARG 28 2HG ARG 28 0.191 -14.997 -0.574 258 HG3 ARG 28 3HG ARG 28 -1.481 -15.488 -0.297 259 HD2 ARG 28 2HD ARG 28 0.191 -17.807 -0.470 260 HD3 ARG 28 3HD ARG 28 0.867 -16.678 0.704 261 HE ARG 28 HE ARG 28 -1.515 -18.229 0.986 262 HH11 ARG 28 1HH1 ARG 28 0.026 -15.244 1.898 263 HH12 ARG 28 2HH1 ARG 28 -0.882 -15.071 3.363 264 HH21 ARG 28 2HH2 ARG 28 -2.441 -16.648 3.940 265 HH22 ARG 28 1HH2 ARG 28 -2.717 -18.013 2.912 Start of MODEL 12 1 H1 LYS 1 H LYS 1 -0.021 -1.795 -0.201 2 HA LYS 1 HA LYS 1 1.110 -0.474 -1.883 3 HB2 LYS 1 2HB LYS 1 3.096 0.871 -1.128 4 HB3 LYS 1 3HB LYS 1 1.541 1.464 -0.557 5 HG2 LYS 1 2HG LYS 1 1.938 0.411 1.614 6 HG3 LYS 1 3HG LYS 1 3.502 -0.172 1.040 7 HD2 LYS 1 2HD LYS 1 3.971 2.322 0.526 8 HD3 LYS 1 3HD LYS 1 2.627 2.634 1.627 9 HE2 LYS 1 2HE LYS 1 5.103 1.040 2.284 10 HE3 LYS 1 3HE LYS 1 4.802 2.708 2.769 11 HZ1 LYS 1 3HZ LYS 1 3.508 0.241 3.718 12 HZ2 LYS 1 1HZ LYS 1 2.674 1.710 3.804 13 HZ3 LYS 1 2HZ LYS 1 4.148 1.526 4.613 14 H TYR 2 H TYR 2 1.340 -3.131 -0.545 15 HA TYR 2 HA TYR 2 4.141 -3.716 -1.250 16 HB2 TYR 2 2HB TYR 2 3.338 -4.090 1.176 17 HB3 TYR 2 3HB TYR 2 2.458 -5.468 0.525 18 HD1 TYR 2 HD1 TYR 2 5.554 -4.340 1.835 19 HD2 TYR 2 HD2 TYR 2 3.853 -7.189 -0.829 20 HE1 TYR 2 HE1 TYR 2 7.587 -5.712 2.014 21 HE2 TYR 2 HE2 TYR 2 5.881 -8.570 -0.656 22 HH TYR 2 HH TYR 2 8.292 -8.009 1.700 23 H GLU 3 H GLU 3 0.814 -4.419 -1.818 24 HA GLU 3 HA GLU 3 0.716 -6.916 -2.865 25 HB2 GLU 3 2HB GLU 3 -0.709 -4.417 -3.355 26 HB3 GLU 3 3HB GLU 3 -0.688 -5.470 -4.763 27 HG2 GLU 3 2HG GLU 3 -2.181 -6.846 -3.873 28 HG3 GLU 3 3HG GLU 3 -1.306 -6.929 -2.345 29 H ILE 4 H ILE 4 1.065 -4.213 -5.141 30 HA ILE 4 HA ILE 4 3.182 -5.713 -6.523 31 HB ILE 4 HB ILE 4 1.038 -6.095 -7.695 32 HG12 ILE 4 2HG1 ILE 4 3.234 -4.533 -9.025 33 HG13 ILE 4 3HG1 ILE 4 2.904 -6.260 -9.105 34 HG21 ILE 4 1HG2 ILE 4 0.328 -3.629 -7.023 35 HG22 ILE 4 2HG2 ILE 4 0.963 -3.282 -8.630 36 HG23 ILE 4 3HG2 ILE 4 -0.347 -4.446 -8.432 37 HD11 ILE 4 3HD1 ILE 4 0.735 -5.553 -10.304 38 HD12 ILE 4 1HD1 ILE 4 1.562 -4.014 -10.542 39 HD13 ILE 4 2HD1 ILE 4 2.260 -5.500 -11.187 40 H THR 5 H THR 5 1.627 -2.648 -5.841 41 HA THR 5 HA THR 5 2.941 -0.819 -7.326 42 HB THR 5 HB THR 5 2.704 0.784 -5.567 43 HG1 THR 5 HG1 THR 5 2.407 -1.417 -3.778 44 HG21 THR 5 3HG2 THR 5 0.412 0.517 -4.966 45 HG22 THR 5 1HG2 THR 5 0.511 -1.236 -5.117 46 HG23 THR 5 2HG2 THR 5 0.616 -0.220 -6.555 47 H THR 6 H THR 6 4.292 -2.613 -4.612 48 HA THR 6 HA THR 6 6.932 -1.460 -5.242 49 HB THR 6 HB THR 6 5.640 -2.090 -2.648 50 HG1 THR 6 HG1 THR 6 6.147 0.061 -3.408 51 HG21 THR 6 3HG2 THR 6 8.560 -2.595 -3.203 52 HG22 THR 6 1HG2 THR 6 7.380 -3.722 -2.535 53 HG23 THR 6 2HG2 THR 6 7.908 -2.332 -1.586 54 H ILE 7 H ILE 7 5.049 -4.333 -4.845 55 HA ILE 7 HA ILE 7 6.944 -6.285 -4.406 56 HB ILE 7 HB ILE 7 4.273 -6.287 -5.080 57 HG12 ILE 7 2HG1 ILE 7 4.398 -8.701 -4.676 58 HG13 ILE 7 3HG1 ILE 7 6.138 -8.666 -4.939 59 HG21 ILE 7 1HG2 ILE 7 4.827 -6.278 -7.461 60 HG22 ILE 7 2HG2 ILE 7 5.786 -7.742 -7.245 61 HG23 ILE 7 3HG2 ILE 7 4.042 -7.785 -6.990 62 HD11 ILE 7 3HD1 ILE 7 6.433 -8.283 -2.787 63 HD12 ILE 7 1HD1 ILE 7 5.553 -6.763 -2.940 64 HD13 ILE 7 2HD1 ILE 7 4.688 -8.247 -2.538 65 H HIS 8 H HIS 8 6.100 -4.683 -7.439 66 HA HIS 8 HA HIS 8 7.486 -6.234 -9.250 67 HB2 HIS 8 2HB HIS 8 7.512 -4.331 -10.705 68 HB3 HIS 8 3HB HIS 8 6.019 -4.258 -9.774 69 HD1 HIS 8 HD1 HIS 8 7.397 -3.018 -7.184 70 HD2 HIS 8 HD2 HIS 8 7.723 -1.597 -11.075 71 HE1 HIS 8 HE1 HIS 8 7.995 -0.585 -6.964 72 H ASN 9 H ASN 9 8.722 -4.094 -6.825 73 HA ASN 9 HA ASN 9 11.375 -3.972 -7.979 74 HB2 ASN 9 2HB ASN 9 9.947 -2.404 -6.157 75 HB3 ASN 9 3HB ASN 9 11.218 -3.158 -5.199 76 HD21 ASN 9 2HD2 ASN 9 12.131 -0.454 -8.112 77 HD22 ASN 9 1HD2 ASN 9 10.591 -1.235 -8.075 78 H LEU 10 H LEU 10 9.685 -5.719 -5.450 79 HA LEU 10 HA LEU 10 12.114 -6.989 -4.504 80 HB2 LEU 10 2HB LEU 10 10.843 -6.919 -2.670 81 HB3 LEU 10 3HB LEU 10 9.359 -6.717 -3.600 82 HG LEU 10 HG LEU 10 10.639 -9.414 -3.379 83 HD11 LEU 10 1HD1 LEU 10 8.786 -9.563 -1.458 84 HD12 LEU 10 2HD1 LEU 10 9.288 -7.887 -1.240 85 HD13 LEU 10 3HD1 LEU 10 10.478 -9.184 -1.135 86 HD21 LEU 10 3HD2 LEU 10 8.029 -9.857 -3.344 87 HD22 LEU 10 1HD2 LEU 10 8.908 -9.593 -4.850 88 HD23 LEU 10 2HD2 LEU 10 7.998 -8.272 -4.117 89 H PHE 11 H PHE 11 9.704 -7.549 -6.858 90 HA PHE 11 HA PHE 11 9.399 -10.252 -7.023 91 HB2 PHE 11 2HB PHE 11 9.491 -8.062 -9.014 92 HB3 PHE 11 3HB PHE 11 9.680 -9.692 -9.652 93 HD1 PHE 11 HD1 PHE 11 7.873 -10.693 -7.165 94 HD2 PHE 11 HD2 PHE 11 7.414 -7.946 -10.384 95 HE1 PHE 11 HE1 PHE 11 5.434 -11.008 -7.081 96 HE2 PHE 11 HE2 PHE 11 4.974 -8.256 -10.304 97 HZ PHE 11 HZ PHE 11 3.981 -9.788 -8.651 98 H ARG 12 H ARG 12 10.827 -11.843 -6.919 99 HA ARG 12 HA ARG 12 13.551 -11.694 -7.063 100 HB2 ARG 12 2HB ARG 12 11.889 -13.688 -6.518 101 HB3 ARG 12 3HB ARG 12 12.266 -14.146 -8.174 102 HG2 ARG 12 2HG ARG 12 14.010 -14.102 -5.771 103 HG3 ARG 12 3HG ARG 12 13.863 -15.316 -7.043 104 HD2 ARG 12 2HD ARG 12 14.939 -13.659 -8.599 105 HD3 ARG 12 3HD ARG 12 15.265 -12.655 -7.187 106 HE ARG 12 HE ARG 12 16.309 -15.088 -6.538 107 HH11 ARG 12 1HH1 ARG 12 16.728 -12.866 -9.186 108 HH12 ARG 12 2HH1 ARG 12 18.375 -13.319 -9.476 109 HH21 ARG 12 2HH2 ARG 12 19.368 -14.928 -8.182 110 HH22 ARG 12 1HH2 ARG 12 18.476 -15.693 -6.911 111 H LYS 13 H LYS 13 11.576 -13.025 -9.721 112 HA LYS 13 HA LYS 13 13.679 -12.167 -11.591 113 HB2 LYS 13 2HB LYS 13 11.871 -13.873 -12.917 114 HB3 LYS 13 3HB LYS 13 13.520 -14.231 -12.422 115 HG2 LYS 13 2HG LYS 13 11.229 -14.533 -10.517 116 HG3 LYS 13 3HG LYS 13 11.649 -15.807 -11.665 117 HD2 LYS 13 2HD LYS 13 13.651 -14.590 -9.775 118 HD3 LYS 13 3HD LYS 13 12.668 -15.993 -9.350 119 HE2 LYS 13 2HE LYS 13 13.617 -17.281 -11.123 120 HE3 LYS 13 3HE LYS 13 14.429 -15.867 -11.792 121 HZ1 LYS 13 3HZ LYS 13 15.642 -17.609 -10.220 122 HZ2 LYS 13 1HZ LYS 13 15.064 -16.549 -9.034 123 HZ3 LYS 13 2HZ LYS 13 16.069 -15.972 -10.266 124 H LEU 14 H LEU 14 10.302 -12.969 -12.255 125 HA LEU 14 HA LEU 14 9.975 -10.277 -13.406 126 HB2 LEU 14 2HB LEU 14 9.895 -11.872 -15.154 127 HB3 LEU 14 3HB LEU 14 8.839 -12.936 -14.227 128 HG LEU 14 HG LEU 14 7.400 -10.565 -14.492 129 HD11 LEU 14 1HD1 LEU 14 7.478 -10.679 -17.164 130 HD12 LEU 14 2HD1 LEU 14 9.171 -11.025 -16.811 131 HD13 LEU 14 3HD1 LEU 14 8.433 -9.536 -16.218 132 HD21 LEU 14 3HD2 LEU 14 6.276 -12.610 -14.541 133 HD22 LEU 14 1HD2 LEU 14 7.307 -13.253 -15.820 134 HD23 LEU 14 2HD2 LEU 14 6.119 -12.002 -16.190 135 H THR 15 H THR 15 7.398 -12.598 -12.992 136 HA THR 15 HA THR 15 6.302 -11.003 -10.777 137 HB THR 15 HB THR 15 4.980 -11.690 -13.376 138 HG1 THR 15 HG1 THR 15 5.085 -9.586 -13.459 139 HG21 THR 15 3HG2 THR 15 3.289 -10.879 -11.060 140 HG22 THR 15 1HG2 THR 15 3.728 -12.578 -11.229 141 HG23 THR 15 2HG2 THR 15 2.849 -11.762 -12.522 142 H HIS 16 H HIS 16 5.677 -13.950 -12.695 143 HA HIS 16 HA HIS 16 5.272 -15.392 -10.159 144 HB2 HIS 16 2HB HIS 16 3.601 -16.809 -11.398 145 HB3 HIS 16 3HB HIS 16 3.097 -15.144 -11.126 146 HD1 HIS 16 HD1 HIS 16 2.920 -13.604 -13.202 147 HD2 HIS 16 HD2 HIS 16 3.990 -17.524 -14.070 148 HE1 HIS 16 HE1 HIS 16 2.647 -13.840 -15.690 149 H ARG 17 H ARG 17 7.287 -15.048 -12.652 150 HA ARG 17 HA ARG 17 7.772 -17.422 -13.882 151 HB2 ARG 17 2HB ARG 17 9.541 -15.238 -12.907 152 HB3 ARG 17 3HB ARG 17 10.310 -16.733 -13.423 153 HG2 ARG 17 2HG ARG 17 9.154 -16.534 -15.597 154 HG3 ARG 17 3HG ARG 17 8.499 -14.982 -15.071 155 HD2 ARG 17 2HD ARG 17 10.550 -13.936 -15.157 156 HD3 ARG 17 3HD ARG 17 11.443 -15.441 -14.944 157 HE ARG 17 HE ARG 17 10.604 -14.272 -17.415 158 HH11 ARG 17 1HH1 ARG 17 11.313 -17.279 -15.811 159 HH12 ARG 17 2HH1 ARG 17 11.714 -18.116 -17.274 160 HH21 ARG 17 2HH2 ARG 17 11.610 -17.024 -19.286 161 HH22 ARG 17 1HH2 ARG 17 11.129 -15.363 -19.348 162 H LEU 18 H LEU 18 9.716 -16.567 -11.029 163 HA LEU 18 HA LEU 18 9.430 -19.347 -10.100 164 HB2 LEU 18 2HB LEU 18 11.611 -19.145 -11.060 165 HB3 LEU 18 3HB LEU 18 11.910 -17.642 -10.190 166 HG LEU 18 HG LEU 18 11.517 -19.327 -8.117 167 HD11 LEU 18 1HD1 LEU 18 11.327 -21.187 -9.881 168 HD12 LEU 18 2HD1 LEU 18 12.372 -21.457 -8.487 169 HD13 LEU 18 3HD1 LEU 18 13.075 -21.012 -10.042 170 HD21 LEU 18 3HD2 LEU 18 13.784 -19.094 -7.705 171 HD22 LEU 18 1HD2 LEU 18 13.451 -17.742 -8.788 172 HD23 LEU 18 2HD2 LEU 18 14.211 -19.206 -9.413 173 H PHE 19 H PHE 19 7.658 -17.974 -8.963 174 HA PHE 19 HA PHE 19 8.783 -16.925 -6.449 175 HB2 PHE 19 2HB PHE 19 6.111 -16.196 -7.660 176 HB3 PHE 19 3HB PHE 19 6.873 -15.463 -6.252 177 HD1 PHE 19 HD1 PHE 19 8.227 -13.594 -6.491 178 HD2 PHE 19 HD2 PHE 19 7.322 -15.971 -9.903 179 HE1 PHE 19 HE1 PHE 19 9.289 -11.913 -7.939 180 HE2 PHE 19 HE2 PHE 19 8.383 -14.294 -11.357 181 HZ PHE 19 HZ PHE 19 9.370 -12.262 -10.376 182 H ARG 20 H ARG 20 7.694 -19.656 -7.507 183 HA ARG 20 HA ARG 20 6.171 -20.237 -5.067 184 HB2 ARG 20 2HB ARG 20 4.772 -21.831 -6.476 185 HB3 ARG 20 3HB ARG 20 4.440 -20.114 -6.665 186 HG2 ARG 20 2HG ARG 20 4.908 -20.182 -8.832 187 HG3 ARG 20 3HG ARG 20 6.444 -21.002 -8.541 188 HD2 ARG 20 2HD ARG 20 4.858 -22.293 -9.960 189 HD3 ARG 20 3HD ARG 20 5.368 -23.140 -8.499 190 HE ARG 20 HE ARG 20 2.959 -21.732 -8.035 191 HH11 ARG 20 1HH1 ARG 20 4.218 -24.555 -9.637 192 HH12 ARG 20 2HH1 ARG 20 2.735 -25.442 -9.522 193 HH21 ARG 20 2HH2 ARG 20 0.905 -24.494 -8.521 194 HH22 ARG 20 1HH2 ARG 20 1.000 -22.890 -7.877 195 H ARG 21 H ARG 21 8.972 -20.672 -6.013 196 HA ARG 21 HA ARG 21 9.037 -23.614 -5.969 197 HB2 ARG 21 2HB ARG 21 10.957 -21.562 -7.040 198 HB3 ARG 21 3HB ARG 21 11.478 -23.207 -6.699 199 HG2 ARG 21 2HG ARG 21 10.956 -23.101 -9.004 200 HG3 ARG 21 3HG ARG 21 9.653 -23.999 -8.223 201 HD2 ARG 21 2HD ARG 21 8.151 -22.231 -8.422 202 HD3 ARG 21 3HD ARG 21 9.434 -21.044 -8.650 203 HE ARG 21 HE ARG 21 9.392 -21.489 -10.892 204 HH11 ARG 21 1HH1 ARG 21 7.778 -24.065 -9.195 205 HH12 ARG 21 2HH1 ARG 21 7.215 -24.840 -10.639 206 HH21 ARG 21 2HH2 ARG 21 7.715 -23.948 -12.689 207 HH22 ARG 21 1HH2 ARG 21 8.656 -22.499 -12.800 208 H ASN 22 H ASN 22 11.048 -20.889 -4.837 209 HA ASN 22 HA ASN 22 11.766 -22.490 -2.484 210 HB2 ASN 22 2HB ASN 22 13.119 -20.359 -4.042 211 HB3 ASN 22 3HB ASN 22 13.395 -20.349 -2.303 212 HD21 ASN 22 2HD2 ASN 22 15.861 -22.727 -2.568 213 HD22 ASN 22 1HD2 ASN 22 15.235 -21.292 -1.838 214 H PHE 23 H PHE 23 10.116 -19.610 -3.490 215 HA PHE 23 HA PHE 23 9.558 -18.976 -0.667 216 HB2 PHE 23 2HB PHE 23 8.983 -16.656 -2.025 217 HB3 PHE 23 3HB PHE 23 10.474 -16.975 -1.145 218 HD1 PHE 23 HD1 PHE 23 12.177 -18.489 -2.649 219 HD2 PHE 23 HD2 PHE 23 9.258 -15.753 -4.103 220 HE1 PHE 23 HE1 PHE 23 13.462 -18.230 -4.732 221 HE2 PHE 23 HE2 PHE 23 10.538 -15.491 -6.188 222 HZ PHE 23 HZ PHE 23 12.642 -16.731 -6.505 223 H GLY 24 H GLY 24 7.630 -19.957 -0.348 224 HA2 GLY 24 2HA GLY 24 5.593 -20.691 -1.827 225 HA3 GLY 24 3HA GLY 24 5.281 -19.794 -0.348 226 H TYR 25 H TYR 25 4.741 -17.600 -0.461 227 HA TYR 25 HA TYR 25 4.372 -16.445 -3.123 228 HB2 TYR 25 2HB TYR 25 2.261 -17.669 -2.226 229 HB3 TYR 25 3HB TYR 25 2.121 -16.292 -1.139 230 HD1 TYR 25 HD1 TYR 25 0.084 -15.407 -1.998 231 HD2 TYR 25 HD2 TYR 25 3.372 -16.096 -4.608 232 HE1 TYR 25 HE1 TYR 25 -1.056 -14.128 -3.762 233 HE2 TYR 25 HE2 TYR 25 2.242 -14.818 -6.379 234 HH TYR 25 HH TYR 25 0.381 -12.876 -6.347 235 H THR 26 H THR 26 6.340 -15.466 -1.862 236 HA THR 26 HA THR 26 5.982 -13.665 0.235 237 HB THR 26 HB THR 26 8.173 -14.496 -0.902 238 HG1 THR 26 HG1 THR 26 9.234 -12.762 0.072 239 HG21 THR 26 3HG2 THR 26 9.174 -12.915 -2.449 240 HG22 THR 26 1HG2 THR 26 7.724 -11.912 -2.401 241 HG23 THR 26 2HG2 THR 26 7.658 -13.523 -3.115 242 H LEU 27 H LEU 27 4.973 -13.456 -3.022 243 HA LEU 27 HA LEU 27 5.004 -10.667 -3.405 244 HB2 LEU 27 2HB LEU 27 2.820 -12.296 -4.586 245 HB3 LEU 27 3HB LEU 27 3.826 -11.051 -5.325 246 HG LEU 27 HG LEU 27 4.554 -13.930 -4.811 247 HD11 LEU 27 1HD1 LEU 27 3.274 -12.709 -6.946 248 HD12 LEU 27 2HD1 LEU 27 4.056 -14.289 -6.947 249 HD13 LEU 27 3HD1 LEU 27 4.951 -12.863 -7.469 250 HD21 LEU 27 3HD2 LEU 27 6.712 -13.416 -4.864 251 HD22 LEU 27 1HD2 LEU 27 6.271 -11.712 -4.762 252 HD23 LEU 27 2HD2 LEU 27 6.495 -12.471 -6.338 253 H ARG 28 H ARG 28 3.069 -12.657 -1.420 254 HA ARG 28 HA ARG 28 0.843 -10.803 -1.290 255 HB2 ARG 28 2HB ARG 28 0.895 -13.450 -0.997 256 HB3 ARG 28 3HB ARG 28 1.159 -13.009 0.685 257 HG2 ARG 28 2HG ARG 28 -1.031 -12.789 0.905 258 HG3 ARG 28 3HG ARG 28 -0.957 -11.404 -0.186 259 HD2 ARG 28 2HD ARG 28 -1.131 -13.036 -2.093 260 HD3 ARG 28 3HD ARG 28 -1.465 -14.286 -0.896 261 HE ARG 28 HE ARG 28 -3.255 -12.220 -1.798 262 HH11 ARG 28 1HH1 ARG 28 -2.506 -14.464 0.756 263 HH12 ARG 28 2HH1 ARG 28 -4.127 -14.512 1.367 264 HH21 ARG 28 2HH2 ARG 28 -5.768 -13.266 0.366 265 HH22 ARG 28 1HH2 ARG 28 -5.393 -12.274 -1.003 Start of MODEL 13 1 H1 LYS 1 H LYS 1 0.062 -2.190 0.538 2 HA LYS 1 HA LYS 1 0.987 -1.217 -1.403 3 HB2 LYS 1 2HB LYS 1 2.702 0.187 0.635 4 HB3 LYS 1 3HB LYS 1 3.118 0.188 -1.074 5 HG2 LYS 1 2HG LYS 1 0.495 0.949 -1.125 6 HG3 LYS 1 3HG LYS 1 1.076 1.696 0.365 7 HD2 LYS 1 2HD LYS 1 2.954 2.683 -0.912 8 HD3 LYS 1 3HD LYS 1 2.270 2.004 -2.391 9 HE2 LYS 1 2HE LYS 1 0.742 3.857 -0.577 10 HE3 LYS 1 3HE LYS 1 1.732 4.431 -1.918 11 HZ1 LYS 1 3HZ LYS 1 -0.649 2.669 -2.075 12 HZ2 LYS 1 1HZ LYS 1 0.374 2.981 -3.386 13 HZ3 LYS 1 2HZ LYS 1 -0.498 4.244 -2.674 14 H TYR 2 H TYR 2 1.327 -3.756 -0.367 15 HA TYR 2 HA TYR 2 4.164 -4.318 -0.936 16 HB2 TYR 2 2HB TYR 2 3.209 -4.901 1.381 17 HB3 TYR 2 3HB TYR 2 2.329 -6.183 0.555 18 HD1 TYR 2 HD1 TYR 2 5.369 -5.292 2.145 19 HD2 TYR 2 HD2 TYR 2 3.754 -7.819 -0.873 20 HE1 TYR 2 HE1 TYR 2 7.345 -6.747 2.314 21 HE2 TYR 2 HE2 TYR 2 5.725 -9.281 -0.711 22 HH TYR 2 HH TYR 2 7.726 -9.579 0.208 23 H GLU 3 H GLU 3 0.875 -4.932 -1.788 24 HA GLU 3 HA GLU 3 0.844 -7.315 -3.074 25 HB2 GLU 3 2HB GLU 3 -0.344 -4.683 -3.939 26 HB3 GLU 3 3HB GLU 3 -0.667 -6.186 -4.792 27 HG2 GLU 3 2HG GLU 3 -1.577 -7.145 -2.724 28 HG3 GLU 3 3HG GLU 3 -1.296 -5.610 -1.906 29 H ILE 4 H ILE 4 1.246 -4.465 -5.134 30 HA ILE 4 HA ILE 4 3.527 -5.773 -6.446 31 HB ILE 4 HB ILE 4 1.443 -6.191 -7.751 32 HG12 ILE 4 2HG1 ILE 4 3.673 -4.538 -8.921 33 HG13 ILE 4 3HG1 ILE 4 3.457 -6.284 -8.986 34 HG21 ILE 4 1HG2 ILE 4 1.473 -3.216 -8.230 35 HG22 ILE 4 2HG2 ILE 4 0.336 -4.389 -8.893 36 HG23 ILE 4 3HG2 ILE 4 0.341 -4.048 -7.163 37 HD11 ILE 4 3HD1 ILE 4 1.369 -5.788 -10.367 38 HD12 ILE 4 1HD1 ILE 4 2.025 -4.159 -10.533 39 HD13 ILE 4 2HD1 ILE 4 2.940 -5.544 -11.130 40 H THR 5 H THR 5 1.771 -2.848 -5.678 41 HA THR 5 HA THR 5 3.061 -0.871 -7.002 42 HB THR 5 HB THR 5 1.284 -0.575 -5.236 43 HG1 THR 5 HG1 THR 5 2.128 1.510 -4.640 44 HG21 THR 5 3HG2 THR 5 2.588 -1.854 -3.485 45 HG22 THR 5 1HG2 THR 5 1.887 -0.327 -2.951 46 HG23 THR 5 2HG2 THR 5 3.608 -0.425 -3.323 47 H THR 6 H THR 6 4.356 -2.798 -4.372 48 HA THR 6 HA THR 6 6.951 -1.445 -4.733 49 HB THR 6 HB THR 6 5.652 -1.309 -2.430 50 HG1 THR 6 HG1 THR 6 7.752 -1.184 -1.437 51 HG21 THR 6 3HG2 THR 6 6.214 -3.049 -0.887 52 HG22 THR 6 1HG2 THR 6 7.219 -3.864 -2.085 53 HG23 THR 6 2HG2 THR 6 5.469 -3.809 -2.293 54 H ILE 7 H ILE 7 5.207 -4.421 -4.635 55 HA ILE 7 HA ILE 7 7.161 -6.303 -4.145 56 HB ILE 7 HB ILE 7 4.559 -6.410 -5.003 57 HG12 ILE 7 2HG1 ILE 7 4.798 -8.835 -4.784 58 HG13 ILE 7 3HG1 ILE 7 6.544 -8.694 -4.953 59 HG21 ILE 7 1HG2 ILE 7 5.255 -6.166 -7.337 60 HG22 ILE 7 2HG2 ILE 7 6.271 -7.598 -7.182 61 HG23 ILE 7 3HG2 ILE 7 4.518 -7.740 -7.042 62 HD11 ILE 7 3HD1 ILE 7 4.970 -8.567 -2.603 63 HD12 ILE 7 1HD1 ILE 7 6.723 -8.464 -2.766 64 HD13 ILE 7 2HD1 ILE 7 5.743 -6.999 -2.835 65 H HIS 8 H HIS 8 6.472 -4.579 -7.153 66 HA HIS 8 HA HIS 8 8.089 -5.956 -8.914 67 HB2 HIS 8 2HB HIS 8 8.127 -3.970 -10.266 68 HB3 HIS 8 3HB HIS 8 6.551 -4.060 -9.485 69 HD1 HIS 8 HD1 HIS 8 7.635 -2.889 -6.707 70 HD2 HIS 8 HD2 HIS 8 8.102 -1.201 -10.474 71 HE1 HIS 8 HE1 HIS 8 8.006 -0.435 -6.303 72 H ASN 9 H ASN 9 8.992 -3.880 -6.297 73 HA ASN 9 HA ASN 9 11.702 -3.495 -7.217 74 HB2 ASN 9 2HB ASN 9 10.265 -1.926 -5.701 75 HB3 ASN 9 3HB ASN 9 10.805 -2.983 -4.400 76 HD21 ASN 9 2HD2 ASN 9 13.095 -0.041 -4.939 77 HD22 ASN 9 1HD2 ASN 9 11.377 -0.179 -4.829 78 H LEU 10 H LEU 10 9.979 -5.606 -5.016 79 HA LEU 10 HA LEU 10 12.429 -6.780 -3.997 80 HB2 LEU 10 2HB LEU 10 10.976 -6.871 -2.280 81 HB3 LEU 10 3HB LEU 10 9.567 -6.887 -3.338 82 HG LEU 10 HG LEU 10 11.234 -9.351 -3.127 83 HD11 LEU 10 1HD1 LEU 10 9.332 -9.800 -1.251 84 HD12 LEU 10 2HD1 LEU 10 9.729 -8.112 -0.933 85 HD13 LEU 10 3HD1 LEU 10 10.996 -9.337 -0.896 86 HD21 LEU 10 3HD2 LEU 10 8.692 -10.153 -3.138 87 HD22 LEU 10 1HD2 LEU 10 9.573 -9.766 -4.616 88 HD23 LEU 10 2HD2 LEU 10 8.482 -8.578 -3.904 89 H PHE 11 H PHE 11 10.176 -7.313 -6.527 90 HA PHE 11 HA PHE 11 10.135 -10.000 -6.956 91 HB2 PHE 11 2HB PHE 11 10.154 -7.640 -8.760 92 HB3 PHE 11 3HB PHE 11 10.443 -9.210 -9.502 93 HD1 PHE 11 HD1 PHE 11 8.595 -10.382 -7.073 94 HD2 PHE 11 HD2 PHE 11 8.134 -7.611 -10.270 95 HE1 PHE 11 HE1 PHE 11 6.173 -10.817 -7.095 96 HE2 PHE 11 HE2 PHE 11 5.711 -8.040 -10.297 97 HZ PHE 11 HZ PHE 11 4.728 -9.644 -8.708 98 H ARG 12 H ARG 12 11.791 -11.356 -6.677 99 HA ARG 12 HA ARG 12 14.501 -10.714 -7.121 100 HB2 ARG 12 2HB ARG 12 14.666 -12.546 -5.855 101 HB3 ARG 12 3HB ARG 12 12.987 -12.965 -6.169 102 HG2 ARG 12 2HG ARG 12 13.593 -14.180 -8.142 103 HG3 ARG 12 3HG ARG 12 15.266 -13.632 -8.016 104 HD2 ARG 12 2HD ARG 12 14.058 -15.092 -5.719 105 HD3 ARG 12 3HD ARG 12 14.532 -16.009 -7.148 106 HE ARG 12 HE ARG 12 16.269 -14.829 -5.201 107 HH11 ARG 12 1HH1 ARG 12 15.993 -15.812 -8.529 108 HH12 ARG 12 2HH1 ARG 12 17.699 -16.030 -8.742 109 HH21 ARG 12 2HH2 ARG 12 19.133 -15.631 -7.001 110 HH22 ARG 12 1HH2 ARG 12 18.517 -15.111 -5.469 111 H LYS 13 H LYS 13 12.236 -12.712 -9.006 112 HA LYS 13 HA LYS 13 14.136 -12.794 -11.219 113 HB2 LYS 13 2HB LYS 13 13.072 -14.890 -10.665 114 HB3 LYS 13 3HB LYS 13 11.477 -14.160 -10.784 115 HG2 LYS 13 2HG LYS 13 11.384 -14.509 -12.975 116 HG3 LYS 13 3HG LYS 13 12.993 -13.829 -13.227 117 HD2 LYS 13 2HD LYS 13 13.721 -16.141 -12.144 118 HD3 LYS 13 3HD LYS 13 12.161 -16.648 -12.795 119 HE2 LYS 13 2HE LYS 13 13.598 -17.103 -14.549 120 HE3 LYS 13 3HE LYS 13 12.985 -15.506 -14.972 121 HZ1 LYS 13 3HZ LYS 13 14.970 -14.496 -14.282 122 HZ2 LYS 13 1HZ LYS 13 15.460 -15.851 -15.169 123 HZ3 LYS 13 2HZ LYS 13 15.512 -15.882 -13.479 124 H LEU 14 H LEU 14 10.724 -12.845 -11.833 125 HA LEU 14 HA LEU 14 10.935 -10.214 -13.145 126 HB2 LEU 14 2HB LEU 14 10.856 -11.768 -14.896 127 HB3 LEU 14 3HB LEU 14 9.654 -12.761 -14.075 128 HG LEU 14 HG LEU 14 8.455 -10.250 -14.506 129 HD11 LEU 14 1HD1 LEU 14 8.668 -10.576 -17.158 130 HD12 LEU 14 2HD1 LEU 14 10.296 -11.046 -16.670 131 HD13 LEU 14 3HD1 LEU 14 9.670 -9.456 -16.234 132 HD21 LEU 14 3HD2 LEU 14 7.812 -12.401 -16.389 133 HD22 LEU 14 1HD2 LEU 14 6.781 -11.550 -15.238 134 HD23 LEU 14 2HD2 LEU 14 7.799 -12.884 -14.692 135 H THR 15 H THR 15 8.097 -12.275 -12.897 136 HA THR 15 HA THR 15 6.894 -10.331 -11.038 137 HB THR 15 HB THR 15 5.730 -11.483 -13.560 138 HG1 THR 15 HG1 THR 15 6.455 -9.476 -13.944 139 HG21 THR 15 3HG2 THR 15 4.109 -10.113 -11.421 140 HG22 THR 15 1HG2 THR 15 4.193 -11.867 -11.584 141 HG23 THR 15 2HG2 THR 15 3.529 -10.891 -12.894 142 H HIS 16 H HIS 16 5.943 -13.426 -12.535 143 HA HIS 16 HA HIS 16 5.603 -14.535 -9.830 144 HB2 HIS 16 2HB HIS 16 3.640 -15.843 -10.917 145 HB3 HIS 16 3HB HIS 16 3.378 -14.173 -10.425 146 HD1 HIS 16 HD1 HIS 16 5.064 -15.266 -13.628 147 HD2 HIS 16 HD2 HIS 16 1.559 -13.446 -12.338 148 HE1 HIS 16 HE1 HIS 16 3.903 -14.485 -15.718 149 H ARG 17 H ARG 17 7.549 -14.728 -12.249 150 HA ARG 17 HA ARG 17 7.562 -17.124 -13.507 151 HB2 ARG 17 2HB ARG 17 9.582 -15.239 -12.648 152 HB3 ARG 17 3HB ARG 17 10.198 -16.885 -12.591 153 HG2 ARG 17 2HG ARG 17 10.603 -15.691 -14.739 154 HG3 ARG 17 3HG ARG 17 9.738 -17.221 -14.901 155 HD2 ARG 17 2HD ARG 17 8.026 -14.863 -14.541 156 HD3 ARG 17 3HD ARG 17 8.966 -14.873 -16.033 157 HE ARG 17 HE ARG 17 7.560 -17.331 -15.479 158 HH11 ARG 17 1HH1 ARG 17 7.427 -14.199 -16.993 159 HH12 ARG 17 2HH1 ARG 17 6.180 -14.647 -18.109 160 HH21 ARG 17 2HH2 ARG 17 5.321 -16.771 -18.078 161 HH22 ARG 17 1HH2 ARG 17 5.917 -17.933 -16.943 162 H LEU 18 H LEU 18 9.712 -16.929 -10.714 163 HA LEU 18 HA LEU 18 8.565 -19.444 -9.707 164 HB2 LEU 18 2HB LEU 18 10.782 -20.272 -9.212 165 HB3 LEU 18 3HB LEU 18 10.631 -19.910 -10.930 166 HG LEU 18 HG LEU 18 11.703 -17.616 -9.636 167 HD11 LEU 18 1HD1 LEU 18 13.590 -18.376 -8.506 168 HD12 LEU 18 2HD1 LEU 18 13.428 -20.015 -9.136 169 HD13 LEU 18 3HD1 LEU 18 12.302 -19.426 -7.913 170 HD21 LEU 18 3HD2 LEU 18 13.436 -17.871 -11.226 171 HD22 LEU 18 1HD2 LEU 18 11.964 -18.452 -12.004 172 HD23 LEU 18 2HD2 LEU 18 13.144 -19.604 -11.377 173 H PHE 19 H PHE 19 7.721 -17.120 -8.655 174 HA PHE 19 HA PHE 19 9.347 -16.426 -6.354 175 HB2 PHE 19 2HB PHE 19 6.607 -15.455 -7.194 176 HB3 PHE 19 3HB PHE 19 7.560 -14.795 -5.869 177 HD1 PHE 19 HD1 PHE 19 9.235 -13.193 -6.253 178 HD2 PHE 19 HD2 PHE 19 7.462 -15.243 -9.535 179 HE1 PHE 19 HE1 PHE 19 10.328 -11.635 -7.813 180 HE2 PHE 19 HE2 PHE 19 8.552 -13.689 -11.100 181 HZ PHE 19 HZ PHE 19 9.988 -11.882 -10.239 182 H ARG 20 H ARG 20 7.232 -18.856 -7.075 183 HA ARG 20 HA ARG 20 6.531 -19.209 -4.237 184 HB2 ARG 20 2HB ARG 20 4.433 -20.297 -4.954 185 HB3 ARG 20 3HB ARG 20 4.512 -18.609 -5.441 186 HG2 ARG 20 2HG ARG 20 3.970 -19.281 -7.482 187 HG3 ARG 20 3HG ARG 20 5.582 -19.991 -7.593 188 HD2 ARG 20 2HD ARG 20 4.486 -21.915 -7.946 189 HD3 ARG 20 3HD ARG 20 4.233 -21.903 -6.201 190 HE ARG 20 HE ARG 20 2.011 -21.465 -6.558 191 HH11 ARG 20 1HH1 ARG 20 3.781 -20.924 -9.506 192 HH12 ARG 20 2HH1 ARG 20 2.359 -20.723 -10.476 193 HH21 ARG 20 2HH2 ARG 20 0.284 -20.880 -9.518 194 HH22 ARG 20 1HH2 ARG 20 0.132 -21.202 -7.824 195 H ARG 21 H ARG 21 8.716 -20.223 -6.087 196 HA ARG 21 HA ARG 21 8.167 -23.095 -6.044 197 HB2 ARG 21 2HB ARG 21 10.560 -21.635 -7.173 198 HB3 ARG 21 3HB ARG 21 10.159 -23.330 -7.410 199 HG2 ARG 21 2HG ARG 21 8.577 -20.971 -8.408 200 HG3 ARG 21 3HG ARG 21 9.597 -22.037 -9.375 201 HD2 ARG 21 2HD ARG 21 7.167 -22.912 -7.818 202 HD3 ARG 21 3HD ARG 21 7.186 -22.568 -9.547 203 HE ARG 21 HE ARG 21 9.169 -24.462 -9.016 204 HH11 ARG 21 1HH1 ARG 21 5.700 -24.181 -8.949 205 HH12 ARG 21 2HH1 ARG 21 5.428 -25.861 -9.273 206 HH21 ARG 21 2HH2 ARG 21 7.205 -27.279 -9.553 207 HH22 ARG 21 1HH2 ARG 21 8.824 -26.675 -9.443 208 H ASN 22 H ASN 22 10.535 -20.744 -4.837 209 HA ASN 22 HA ASN 22 11.359 -22.740 -2.832 210 HB2 ASN 22 2HB ASN 22 12.952 -21.168 -4.688 211 HB3 ASN 22 3HB ASN 22 13.445 -20.902 -3.018 212 HD21 ASN 22 2HD2 ASN 22 15.299 -23.793 -2.948 213 HD22 ASN 22 1HD2 ASN 22 15.046 -22.160 -2.443 214 H PHE 23 H PHE 23 10.272 -19.541 -3.487 215 HA PHE 23 HA PHE 23 10.630 -18.796 -0.663 216 HB2 PHE 23 2HB PHE 23 9.745 -16.592 -2.271 217 HB3 PHE 23 3HB PHE 23 11.254 -16.773 -1.381 218 HD1 PHE 23 HD1 PHE 23 10.180 -15.806 -4.378 219 HD2 PHE 23 HD2 PHE 23 12.705 -18.814 -2.736 220 HE1 PHE 23 HE1 PHE 23 11.412 -15.928 -6.505 221 HE2 PHE 23 HE2 PHE 23 13.941 -18.940 -4.859 222 HZ PHE 23 HZ PHE 23 13.296 -17.496 -6.747 223 H GLY 24 H GLY 24 8.892 -18.796 0.598 224 HA2 GLY 24 2HA GLY 24 6.384 -19.642 -0.071 225 HA3 GLY 24 3HA GLY 24 6.704 -18.568 1.283 226 H TYR 25 H TYR 25 5.726 -18.757 -2.069 227 HA TYR 25 HA TYR 25 5.472 -16.550 -3.279 228 HB2 TYR 25 2HB TYR 25 3.836 -18.423 -3.566 229 HB3 TYR 25 3HB TYR 25 2.884 -17.734 -2.256 230 HD1 TYR 25 HD1 TYR 25 4.455 -16.606 -5.461 231 HD2 TYR 25 HD2 TYR 25 1.092 -16.422 -2.861 232 HE1 TYR 25 HE1 TYR 25 3.296 -15.157 -7.074 233 HE2 TYR 25 HE2 TYR 25 -0.077 -14.973 -4.468 234 HH TYR 25 HH TYR 25 1.430 -14.057 -7.552 235 H THR 26 H THR 26 6.243 -14.834 -1.978 236 HA THR 26 HA THR 26 4.549 -13.786 0.127 237 HB THR 26 HB THR 26 7.078 -13.739 0.219 238 HG1 THR 26 HG1 THR 26 7.021 -11.468 1.012 239 HG21 THR 26 3HG2 THR 26 6.842 -11.317 -1.546 240 HG22 THR 26 1HG2 THR 26 7.240 -12.907 -2.196 241 HG23 THR 26 2HG2 THR 26 8.301 -12.148 -1.009 242 H LEU 27 H LEU 27 4.858 -13.425 -3.234 243 HA LEU 27 HA LEU 27 4.267 -10.740 -3.656 244 HB2 LEU 27 2HB LEU 27 3.008 -12.802 -5.393 245 HB3 LEU 27 3HB LEU 27 3.819 -11.301 -5.835 246 HG LEU 27 HG LEU 27 5.081 -13.928 -5.076 247 HD11 LEU 27 1HD1 LEU 27 5.051 -14.229 -7.274 248 HD12 LEU 27 2HD1 LEU 27 6.171 -12.875 -7.416 249 HD13 LEU 27 3HD1 LEU 27 4.434 -12.600 -7.548 250 HD21 LEU 27 3HD2 LEU 27 6.178 -11.172 -5.040 251 HD22 LEU 27 1HD2 LEU 27 7.192 -12.449 -5.713 252 HD23 LEU 27 2HD2 LEU 27 6.599 -12.575 -4.057 253 H ARG 28 H ARG 28 2.312 -13.235 -2.358 254 HA ARG 28 HA ARG 28 -0.245 -12.246 -3.052 255 HB2 ARG 28 2HB ARG 28 0.673 -14.495 -1.813 256 HB3 ARG 28 3HB ARG 28 -0.008 -13.612 -0.453 257 HG2 ARG 28 2HG ARG 28 -2.143 -13.797 -1.218 258 HG3 ARG 28 3HG ARG 28 -1.650 -13.849 -2.911 259 HD2 ARG 28 2HD ARG 28 -1.625 -16.074 -2.912 260 HD3 ARG 28 3HD ARG 28 -0.623 -16.121 -1.462 261 HE ARG 28 HE ARG 28 -3.478 -16.448 -1.612 262 HH11 ARG 28 1HH1 ARG 28 -0.788 -15.585 0.423 263 HH12 ARG 28 2HH1 ARG 28 -1.612 -15.971 1.898 264 HH21 ARG 28 2HH2 ARG 28 -3.764 -16.753 1.839 265 HH22 ARG 28 1HH2 ARG 28 -4.573 -16.959 0.322 Start of MODEL 14 1 H1 LYS 1 H LYS 1 3.221 -1.823 2.950 2 HA LYS 1 HA LYS 1 0.802 -2.440 1.561 3 HB2 LYS 1 2HB LYS 1 1.204 0.147 1.392 4 HB3 LYS 1 3HB LYS 1 2.414 -0.314 0.202 5 HG2 LYS 1 2HG LYS 1 0.585 -1.606 -0.968 6 HG3 LYS 1 3HG LYS 1 -0.550 -0.791 0.112 7 HD2 LYS 1 2HD LYS 1 -0.284 1.224 -0.909 8 HD3 LYS 1 3HD LYS 1 1.406 0.915 -1.317 9 HE2 LYS 1 2HE LYS 1 0.845 -0.322 -3.212 10 HE3 LYS 1 3HE LYS 1 -0.804 -0.602 -2.657 11 HZ1 LYS 1 3HZ LYS 1 -0.394 1.113 -4.503 12 HZ2 LYS 1 1HZ LYS 1 0.125 2.130 -3.255 13 HZ3 LYS 1 2HZ LYS 1 -1.452 1.521 -3.248 14 H TYR 2 H TYR 2 1.582 -4.420 1.051 15 HA TYR 2 HA TYR 2 4.087 -4.528 -0.497 16 HB2 TYR 2 2HB TYR 2 3.595 -5.845 1.817 17 HB3 TYR 2 3HB TYR 2 3.020 -7.035 0.655 18 HD1 TYR 2 HD1 TYR 2 4.571 -8.037 -0.968 19 HD2 TYR 2 HD2 TYR 2 5.935 -5.332 2.020 20 HE1 TYR 2 HE1 TYR 2 6.884 -8.774 -1.365 21 HE2 TYR 2 HE2 TYR 2 8.252 -6.061 1.630 22 HH TYR 2 HH TYR 2 9.585 -7.109 -0.105 23 H GLU 3 H GLU 3 1.646 -3.851 -1.718 24 HA GLU 3 HA GLU 3 0.489 -6.178 -2.938 25 HB2 GLU 3 2HB GLU 3 0.208 -3.222 -3.471 26 HB3 GLU 3 3HB GLU 3 -0.630 -4.444 -4.418 27 HG2 GLU 3 2HG GLU 3 -1.192 -5.122 -1.794 28 HG3 GLU 3 3HG GLU 3 -1.263 -3.361 -1.815 29 H ILE 4 H ILE 4 1.713 -3.386 -4.727 30 HA ILE 4 HA ILE 4 3.495 -5.149 -6.250 31 HB ILE 4 HB ILE 4 1.382 -4.982 -7.511 32 HG12 ILE 4 2HG1 ILE 4 3.914 -3.785 -8.577 33 HG13 ILE 4 3HG1 ILE 4 3.185 -5.347 -8.933 34 HG21 ILE 4 1HG2 ILE 4 1.971 -2.044 -7.793 35 HG22 ILE 4 2HG2 ILE 4 0.552 -2.925 -8.356 36 HG23 ILE 4 3HG2 ILE 4 0.817 -2.694 -6.628 37 HD11 ILE 4 3HD1 ILE 4 2.790 -4.228 -10.880 38 HD12 ILE 4 1HD1 ILE 4 1.303 -3.874 -9.999 39 HD13 ILE 4 2HD1 ILE 4 2.591 -2.671 -10.076 40 H THR 5 H THR 5 2.494 -1.866 -5.441 41 HA THR 5 HA THR 5 4.376 -0.328 -6.681 42 HB THR 5 HB THR 5 2.534 0.449 -5.106 43 HG1 THR 5 HG1 THR 5 3.561 2.358 -4.941 44 HG21 THR 5 3HG2 THR 5 4.679 0.213 -3.004 45 HG22 THR 5 1HG2 THR 5 3.390 -0.976 -3.191 46 HG23 THR 5 2HG2 THR 5 2.996 0.696 -2.793 47 H THR 6 H THR 6 4.841 -2.469 -3.958 48 HA THR 6 HA THR 6 7.709 -1.782 -3.967 49 HB THR 6 HB THR 6 6.214 -1.336 -1.831 50 HG1 THR 6 HG1 THR 6 8.810 -2.495 -1.905 51 HG21 THR 6 3HG2 THR 6 6.195 -3.181 -0.276 52 HG22 THR 6 1HG2 THR 6 7.024 -4.218 -1.436 53 HG23 THR 6 2HG2 THR 6 5.376 -3.677 -1.757 54 H ILE 7 H ILE 7 5.313 -4.237 -4.226 55 HA ILE 7 HA ILE 7 6.643 -6.549 -3.541 56 HB ILE 7 HB ILE 7 4.263 -6.005 -4.773 57 HG12 ILE 7 2HG1 ILE 7 4.616 -7.859 -3.273 58 HG13 ILE 7 3HG1 ILE 7 3.958 -8.488 -4.779 59 HG21 ILE 7 1HG2 ILE 7 5.269 -5.874 -6.971 60 HG22 ILE 7 2HG2 ILE 7 5.997 -7.465 -6.760 61 HG23 ILE 7 3HG2 ILE 7 4.244 -7.305 -6.864 62 HD11 ILE 7 3HD1 ILE 7 6.687 -8.619 -5.154 63 HD12 ILE 7 1HD1 ILE 7 6.468 -9.066 -3.462 64 HD13 ILE 7 2HD1 ILE 7 5.619 -9.955 -4.728 65 H HIS 8 H HIS 8 6.798 -4.775 -6.610 66 HA HIS 8 HA HIS 8 8.357 -6.504 -8.091 67 HB2 HIS 8 2HB HIS 8 8.974 -4.624 -9.444 68 HB3 HIS 8 3HB HIS 8 7.322 -4.359 -8.894 69 HD1 HIS 8 HD1 HIS 8 8.181 -3.299 -6.016 70 HD2 HIS 8 HD2 HIS 8 9.608 -1.940 -9.674 71 HE1 HIS 8 HE1 HIS 8 9.008 -0.963 -5.589 72 H ASN 9 H ASN 9 9.266 -4.473 -5.423 73 HA ASN 9 HA ASN 9 12.064 -4.462 -5.870 74 HB2 ASN 9 2HB ASN 9 10.591 -3.013 -4.261 75 HB3 ASN 9 3HB ASN 9 10.882 -4.320 -3.117 76 HD21 ASN 9 2HD2 ASN 9 13.464 -1.621 -2.831 77 HD22 ASN 9 1HD2 ASN 9 11.736 -1.614 -2.874 78 H LEU 10 H LEU 10 9.874 -6.707 -4.327 79 HA LEU 10 HA LEU 10 12.099 -8.337 -3.361 80 HB2 LEU 10 2HB LEU 10 10.583 -8.388 -1.683 81 HB3 LEU 10 3HB LEU 10 9.218 -8.120 -2.765 82 HG LEU 10 HG LEU 10 10.584 -10.774 -2.776 83 HD11 LEU 10 1HD1 LEU 10 9.258 -11.571 -0.954 84 HD12 LEU 10 2HD1 LEU 10 8.462 -10.007 -0.782 85 HD13 LEU 10 3HD1 LEU 10 10.174 -10.172 -0.395 86 HD21 LEU 10 3HD2 LEU 10 8.447 -9.685 -4.125 87 HD22 LEU 10 1HD2 LEU 10 7.679 -10.619 -2.841 88 HD23 LEU 10 2HD2 LEU 10 8.798 -11.406 -3.955 89 H PHE 11 H PHE 11 9.806 -8.172 -5.923 90 HA PHE 11 HA PHE 11 9.313 -10.675 -6.765 91 HB2 PHE 11 2HB PHE 11 9.956 -8.163 -8.203 92 HB3 PHE 11 3HB PHE 11 10.014 -9.645 -9.153 93 HD1 PHE 11 HD1 PHE 11 7.723 -9.981 -6.497 94 HD2 PHE 11 HD2 PHE 11 8.163 -8.290 -10.379 95 HE1 PHE 11 HE1 PHE 11 5.276 -9.916 -6.743 96 HE2 PHE 11 HE2 PHE 11 5.717 -8.221 -10.630 97 HZ PHE 11 HZ PHE 11 4.270 -9.034 -8.810 98 H ARG 12 H ARG 12 10.491 -12.451 -6.955 99 HA ARG 12 HA ARG 12 13.307 -12.483 -6.876 100 HB2 ARG 12 2HB ARG 12 12.398 -14.448 -6.084 101 HB3 ARG 12 3HB ARG 12 11.176 -14.516 -7.346 102 HG2 ARG 12 2HG ARG 12 12.841 -16.296 -7.565 103 HG3 ARG 12 3HG ARG 12 12.834 -15.217 -8.961 104 HD2 ARG 12 2HD ARG 12 14.670 -14.062 -7.251 105 HD3 ARG 12 3HD ARG 12 14.952 -15.792 -7.055 106 HE ARG 12 HE ARG 12 14.766 -15.126 -9.798 107 HH11 ARG 12 1HH1 ARG 12 16.893 -14.866 -7.054 108 HH12 ARG 12 2HH1 ARG 12 18.336 -14.831 -8.012 109 HH21 ARG 12 2HH2 ARG 12 18.202 -14.953 -10.295 110 HH22 ARG 12 1HH2 ARG 12 16.659 -15.082 -11.069 111 H LYS 13 H LYS 13 11.292 -13.758 -9.525 112 HA LYS 13 HA LYS 13 13.450 -13.150 -11.398 113 HB2 LYS 13 2HB LYS 13 12.562 -15.397 -11.510 114 HB3 LYS 13 3HB LYS 13 10.924 -14.782 -11.695 115 HG2 LYS 13 2HG LYS 13 12.274 -15.629 -13.762 116 HG3 LYS 13 3HG LYS 13 11.234 -14.209 -13.888 117 HD2 LYS 13 2HD LYS 13 13.021 -12.744 -13.945 118 HD3 LYS 13 3HD LYS 13 14.107 -13.875 -13.135 119 HE2 LYS 13 2HE LYS 13 14.022 -15.297 -15.190 120 HE3 LYS 13 3HE LYS 13 13.113 -14.009 -15.978 121 HZ1 LYS 13 3HZ LYS 13 15.763 -13.530 -14.754 122 HZ2 LYS 13 1HZ LYS 13 14.937 -12.570 -15.876 123 HZ3 LYS 13 2HZ LYS 13 15.599 -14.052 -16.355 124 H LEU 14 H LEU 14 10.188 -13.325 -12.532 125 HA LEU 14 HA LEU 14 10.341 -10.491 -13.305 126 HB2 LEU 14 2HB LEU 14 10.237 -11.828 -15.239 127 HB3 LEU 14 3HB LEU 14 8.991 -12.867 -14.550 128 HG LEU 14 HG LEU 14 7.909 -10.262 -14.670 129 HD11 LEU 14 1HD1 LEU 14 8.087 -10.269 -17.331 130 HD12 LEU 14 2HD1 LEU 14 9.679 -10.921 -16.947 131 HD13 LEU 14 3HD1 LEU 14 9.190 -9.354 -16.303 132 HD21 LEU 14 3HD2 LEU 14 6.171 -11.378 -15.557 133 HD22 LEU 14 1HD2 LEU 14 7.105 -12.809 -15.122 134 HD23 LEU 14 2HD2 LEU 14 7.170 -12.181 -16.769 135 H THR 15 H THR 15 7.483 -12.543 -13.298 136 HA THR 15 HA THR 15 6.320 -10.856 -11.182 137 HB THR 15 HB THR 15 5.170 -11.561 -13.860 138 HG1 THR 15 HG1 THR 15 6.123 -9.476 -13.423 139 HG21 THR 15 3HG2 THR 15 3.251 -10.424 -11.977 140 HG22 THR 15 1HG2 THR 15 3.745 -12.064 -11.559 141 HG23 THR 15 2HG2 THR 15 3.050 -11.729 -13.145 142 H HIS 16 H HIS 16 5.581 -13.786 -13.086 143 HA HIS 16 HA HIS 16 4.986 -15.164 -10.553 144 HB2 HIS 16 2HB HIS 16 3.271 -16.473 -11.984 145 HB3 HIS 16 3HB HIS 16 2.840 -14.859 -11.428 146 HD1 HIS 16 HD1 HIS 16 4.939 -15.765 -14.457 147 HD2 HIS 16 HD2 HIS 16 1.323 -13.957 -13.498 148 HE1 HIS 16 HE1 HIS 16 4.041 -14.865 -16.626 149 H ARG 17 H ARG 17 7.141 -15.015 -12.886 150 HA ARG 17 HA ARG 17 7.452 -17.358 -14.206 151 HB2 ARG 17 2HB ARG 17 9.047 -15.443 -14.246 152 HB3 ARG 17 3HB ARG 17 9.678 -15.981 -12.695 153 HG2 ARG 17 2HG ARG 17 11.128 -17.236 -13.797 154 HG3 ARG 17 3HG ARG 17 9.776 -18.226 -14.350 155 HD2 ARG 17 2HD ARG 17 9.929 -17.440 -16.435 156 HD3 ARG 17 3HD ARG 17 10.056 -15.772 -15.879 157 HE ARG 17 HE ARG 17 12.502 -16.914 -15.358 158 HH11 ARG 17 1HH1 ARG 17 10.515 -16.386 -18.167 159 HH12 ARG 17 2HH1 ARG 17 11.857 -16.260 -19.255 160 HH21 ARG 17 2HH2 ARG 17 13.998 -16.468 -18.465 161 HH22 ARG 17 1HH2 ARG 17 14.278 -16.750 -16.780 162 H LEU 18 H LEU 18 9.371 -16.998 -11.253 163 HA LEU 18 HA LEU 18 8.514 -19.694 -10.437 164 HB2 LEU 18 2HB LEU 18 10.756 -20.228 -9.766 165 HB3 LEU 18 3HB LEU 18 10.752 -19.743 -11.460 166 HG LEU 18 HG LEU 18 11.325 -17.523 -9.670 167 HD11 LEU 18 1HD1 LEU 18 13.264 -18.207 -8.659 168 HD12 LEU 18 2HD1 LEU 18 13.525 -19.526 -9.799 169 HD13 LEU 18 3HD1 LEU 18 12.300 -19.679 -8.541 170 HD21 LEU 18 3HD2 LEU 18 11.781 -17.184 -11.923 171 HD22 LEU 18 1HD2 LEU 18 12.511 -18.778 -12.118 172 HD23 LEU 18 2HD2 LEU 18 13.373 -17.515 -11.239 173 H PHE 19 H PHE 19 7.126 -17.786 -9.338 174 HA PHE 19 HA PHE 19 8.418 -16.981 -6.835 175 HB2 PHE 19 2HB PHE 19 5.741 -16.153 -7.976 176 HB3 PHE 19 3HB PHE 19 6.500 -15.487 -6.534 177 HD1 PHE 19 HD1 PHE 19 7.920 -13.657 -6.692 178 HD2 PHE 19 HD2 PHE 19 6.989 -15.893 -10.192 179 HE1 PHE 19 HE1 PHE 19 9.058 -11.966 -8.071 180 HE2 PHE 19 HE2 PHE 19 8.125 -14.206 -11.576 181 HZ PHE 19 HZ PHE 19 9.162 -12.240 -10.516 182 H ARG 20 H ARG 20 7.568 -19.740 -7.419 183 HA ARG 20 HA ARG 20 5.769 -20.081 -5.119 184 HB2 ARG 20 2HB ARG 20 5.645 -21.811 -7.588 185 HB3 ARG 20 3HB ARG 20 4.539 -21.809 -6.221 186 HG2 ARG 20 2HG ARG 20 4.898 -19.455 -8.056 187 HG3 ARG 20 3HG ARG 20 3.686 -20.713 -8.306 188 HD2 ARG 20 2HD ARG 20 3.270 -20.060 -5.695 189 HD3 ARG 20 3HD ARG 20 3.752 -18.506 -6.375 190 HE ARG 20 HE ARG 20 1.916 -19.292 -8.136 191 HH11 ARG 20 1HH1 ARG 20 1.882 -19.311 -4.655 192 HH12 ARG 20 2HH1 ARG 20 0.166 -19.100 -4.541 193 HH21 ARG 20 2HH2 ARG 20 -1.099 -18.932 -6.444 194 HH22 ARG 20 1HH2 ARG 20 -0.344 -19.014 -7.999 195 H ARG 21 H ARG 21 8.623 -20.914 -6.750 196 HA ARG 21 HA ARG 21 9.116 -23.526 -5.968 197 HB2 ARG 21 2HB ARG 21 11.013 -21.198 -6.288 198 HB3 ARG 21 3HB ARG 21 11.549 -22.852 -6.023 199 HG2 ARG 21 2HG ARG 21 9.840 -21.963 -8.336 200 HG3 ARG 21 3HG ARG 21 11.593 -22.158 -8.394 201 HD2 ARG 21 2HD ARG 21 10.774 -24.548 -7.342 202 HD3 ARG 21 3HD ARG 21 9.469 -24.168 -8.466 203 HE ARG 21 HE ARG 21 10.905 -24.547 -10.209 204 HH11 ARG 21 1HH1 ARG 21 12.738 -24.204 -7.269 205 HH12 ARG 21 2HH1 ARG 21 14.237 -24.683 -7.993 206 HH21 ARG 21 2HH2 ARG 21 14.313 -25.236 -10.215 207 HH22 ARG 21 1HH2 ARG 21 12.873 -25.179 -11.174 208 H ASN 22 H ASN 22 10.629 -20.748 -4.332 209 HA ASN 22 HA ASN 22 10.585 -22.284 -1.837 210 HB2 ASN 22 2HB ASN 22 12.746 -21.316 -2.727 211 HB3 ASN 22 3HB ASN 22 12.084 -19.719 -2.388 212 HD21 ASN 22 2HD2 ASN 22 13.360 -22.139 0.626 213 HD22 ASN 22 1HD2 ASN 22 13.089 -22.757 -0.964 214 H PHE 23 H PHE 23 9.757 -19.091 -3.135 215 HA PHE 23 HA PHE 23 8.411 -18.374 -0.655 216 HB2 PHE 23 2HB PHE 23 7.921 -16.400 -2.599 217 HB3 PHE 23 3HB PHE 23 9.075 -16.330 -1.271 218 HD1 PHE 23 HD1 PHE 23 11.391 -17.405 -1.710 219 HD2 PHE 23 HD2 PHE 23 8.670 -16.263 -4.777 220 HE1 PHE 23 HE1 PHE 23 13.246 -17.333 -3.324 221 HE2 PHE 23 HE2 PHE 23 10.521 -16.190 -6.396 222 HZ PHE 23 HZ PHE 23 12.812 -16.727 -5.671 223 H GLY 24 H GLY 24 6.560 -19.554 -0.487 224 HA2 GLY 24 2HA GLY 24 4.824 -20.626 -2.140 225 HA3 GLY 24 3HA GLY 24 4.232 -19.640 -0.811 226 H TYR 25 H TYR 25 3.599 -17.483 -1.212 227 HA TYR 25 HA TYR 25 3.381 -16.712 -4.034 228 HB2 TYR 25 2HB TYR 25 1.260 -17.846 -3.027 229 HB3 TYR 25 3HB TYR 25 1.043 -16.310 -2.194 230 HD1 TYR 25 HD1 TYR 25 -1.020 -15.754 -3.299 231 HD2 TYR 25 HD2 TYR 25 2.492 -16.550 -5.566 232 HE1 TYR 25 HE1 TYR 25 -2.106 -14.821 -5.299 233 HE2 TYR 25 HE2 TYR 25 1.415 -15.619 -7.572 234 HH TYR 25 HH TYR 25 -1.944 -14.890 -7.684 235 H THR 26 H THR 26 5.281 -15.579 -2.646 236 HA THR 26 HA THR 26 4.800 -13.486 -0.924 237 HB THR 26 HB THR 26 7.056 -14.358 -1.741 238 HG1 THR 26 HG1 THR 26 7.532 -12.697 -0.521 239 HG21 THR 26 3HG2 THR 26 8.077 -13.305 -3.626 240 HG22 THR 26 1HG2 THR 26 6.700 -12.225 -3.843 241 HG23 THR 26 2HG2 THR 26 6.527 -13.951 -4.165 242 H LEU 27 H LEU 27 4.077 -13.704 -4.294 243 HA LEU 27 HA LEU 27 4.042 -11.088 -5.136 244 HB2 LEU 27 2HB LEU 27 1.956 -13.178 -5.740 245 HB3 LEU 27 3HB LEU 27 2.282 -11.730 -6.691 246 HG LEU 27 HG LEU 27 4.115 -14.101 -6.338 247 HD11 LEU 27 1HD1 LEU 27 1.963 -13.688 -8.074 248 HD12 LEU 27 2HD1 LEU 27 3.209 -14.931 -8.184 249 HD13 LEU 27 3HD1 LEU 27 3.414 -13.401 -9.035 250 HD21 LEU 27 3HD2 LEU 27 5.632 -12.994 -7.834 251 HD22 LEU 27 1HD2 LEU 27 5.310 -11.926 -6.467 252 HD23 LEU 27 2HD2 LEU 27 4.526 -11.632 -8.020 253 H ARG 28 H ARG 28 1.962 -12.642 -2.844 254 HA ARG 28 HA ARG 28 -0.284 -11.018 -2.897 255 HB2 ARG 28 2HB ARG 28 -0.727 -11.749 -0.666 256 HB3 ARG 28 3HB ARG 28 0.042 -13.087 -1.510 257 HG2 ARG 28 2HG ARG 28 2.222 -12.023 -0.457 258 HG3 ARG 28 3HG ARG 28 1.054 -11.410 0.715 259 HD2 ARG 28 2HD ARG 28 0.511 -14.167 0.172 260 HD3 ARG 28 3HD ARG 28 2.213 -13.976 0.591 261 HE ARG 28 HE ARG 28 -0.058 -13.619 2.328 262 HH11 ARG 28 1HH1 ARG 28 3.300 -12.880 1.782 263 HH12 ARG 28 2HH1 ARG 28 3.638 -12.569 3.452 264 HH21 ARG 28 2HH2 ARG 28 1.974 -12.759 5.015 265 HH22 ARG 28 1HH2 ARG 28 0.375 -13.212 4.530 Start of MODEL 15 1 H1 LYS 1 H LYS 1 0.021 -1.519 0.156 2 HA LYS 1 HA LYS 1 0.784 -0.604 -1.993 3 HB2 LYS 1 2HB LYS 1 2.882 0.849 -1.799 4 HB3 LYS 1 3HB LYS 1 1.346 1.592 -1.374 5 HG2 LYS 1 2HG LYS 1 1.841 1.655 0.872 6 HG3 LYS 1 3HG LYS 1 3.007 0.335 0.760 7 HD2 LYS 1 2HD LYS 1 4.434 1.914 -0.628 8 HD3 LYS 1 3HD LYS 1 3.342 3.198 -0.105 9 HE2 LYS 1 2HE LYS 1 4.429 1.447 2.013 10 HE3 LYS 1 3HE LYS 1 5.580 2.521 1.219 11 HZ1 LYS 1 3HZ LYS 1 3.009 3.495 2.317 12 HZ2 LYS 1 1HZ LYS 1 4.368 4.401 1.874 13 HZ3 LYS 1 2HZ LYS 1 4.418 3.419 3.250 14 H TYR 2 H TYR 2 1.106 -3.001 -0.638 15 HA TYR 2 HA TYR 2 3.948 -3.619 -1.116 16 HB2 TYR 2 2HB TYR 2 3.014 -3.873 1.266 17 HB3 TYR 2 3HB TYR 2 2.129 -5.259 0.638 18 HD1 TYR 2 HD1 TYR 2 3.543 -7.081 -0.559 19 HD2 TYR 2 HD2 TYR 2 5.179 -4.157 2.064 20 HE1 TYR 2 HE1 TYR 2 5.516 -8.507 -0.209 21 HE2 TYR 2 HE2 TYR 2 7.157 -5.574 2.420 22 HH TYR 2 HH TYR 2 8.326 -7.369 1.499 23 H GLU 3 H GLU 3 0.657 -4.373 -1.844 24 HA GLU 3 HA GLU 3 0.637 -6.911 -2.784 25 HB2 GLU 3 2HB GLU 3 -0.659 -4.404 -3.740 26 HB3 GLU 3 3HB GLU 3 -0.773 -5.830 -4.763 27 HG2 GLU 3 2HG GLU 3 -2.480 -6.521 -3.546 28 HG3 GLU 3 3HG GLU 3 -1.397 -6.681 -2.164 29 H ILE 4 H ILE 4 1.018 -4.369 -5.219 30 HA ILE 4 HA ILE 4 3.287 -5.850 -6.359 31 HB ILE 4 HB ILE 4 1.191 -6.420 -7.586 32 HG12 ILE 4 2HG1 ILE 4 3.444 -4.969 -8.954 33 HG13 ILE 4 3HG1 ILE 4 3.170 -6.703 -8.828 34 HG21 ILE 4 1HG2 ILE 4 0.399 -3.925 -7.239 35 HG22 ILE 4 2HG2 ILE 4 1.171 -3.713 -8.810 36 HG23 ILE 4 3HG2 ILE 4 -0.138 -4.879 -8.621 37 HD11 ILE 4 3HD1 ILE 4 2.680 -6.163 -11.044 38 HD12 ILE 4 1HD1 ILE 4 1.107 -6.313 -10.261 39 HD13 ILE 4 2HD1 ILE 4 1.782 -4.716 -10.586 40 H THR 5 H THR 5 1.564 -2.839 -5.950 41 HA THR 5 HA THR 5 2.847 -1.056 -7.533 42 HB THR 5 HB THR 5 1.099 -0.518 -5.799 43 HG1 THR 5 HG1 THR 5 1.672 1.441 -6.322 44 HG21 THR 5 3HG2 THR 5 3.500 -0.333 -3.975 45 HG22 THR 5 1HG2 THR 5 2.236 -1.559 -3.877 46 HG23 THR 5 2HG2 THR 5 1.848 0.134 -3.574 47 H THR 6 H THR 6 4.165 -2.633 -4.687 48 HA THR 6 HA THR 6 6.765 -1.364 -5.258 49 HB THR 6 HB THR 6 5.499 -0.929 -2.972 50 HG1 THR 6 HG1 THR 6 7.394 -0.091 -2.565 51 HG21 THR 6 3HG2 THR 6 6.094 -2.461 -1.229 52 HG22 THR 6 1HG2 THR 6 7.062 -3.430 -2.338 53 HG23 THR 6 2HG2 THR 6 5.308 -3.384 -2.509 54 H ILE 7 H ILE 7 5.004 -4.290 -4.740 55 HA ILE 7 HA ILE 7 6.954 -6.109 -4.048 56 HB ILE 7 HB ILE 7 4.336 -6.297 -4.864 57 HG12 ILE 7 2HG1 ILE 7 4.554 -8.672 -4.304 58 HG13 ILE 7 3HG1 ILE 7 6.302 -8.567 -4.487 59 HG21 ILE 7 1HG2 ILE 7 4.990 -6.401 -7.208 60 HG22 ILE 7 2HG2 ILE 7 6.040 -7.774 -6.864 61 HG23 ILE 7 3HG2 ILE 7 4.294 -7.934 -6.683 62 HD11 ILE 7 3HD1 ILE 7 6.477 -8.034 -2.354 63 HD12 ILE 7 1HD1 ILE 7 5.519 -6.581 -2.637 64 HD13 ILE 7 2HD1 ILE 7 4.723 -8.088 -2.184 65 H HIS 8 H HIS 8 6.212 -4.802 -7.250 66 HA HIS 8 HA HIS 8 7.793 -6.399 -8.843 67 HB2 HIS 8 2HB HIS 8 7.818 -4.609 -10.440 68 HB3 HIS 8 3HB HIS 8 6.260 -4.569 -9.619 69 HD1 HIS 8 HD1 HIS 8 7.402 -3.058 -7.046 70 HD2 HIS 8 HD2 HIS 8 7.853 -1.896 -11.009 71 HE1 HIS 8 HE1 HIS 8 7.824 -0.580 -6.976 72 H ASN 9 H ASN 9 8.757 -3.983 -6.550 73 HA ASN 9 HA ASN 9 11.433 -3.688 -7.547 74 HB2 ASN 9 2HB ASN 9 9.960 -2.100 -6.010 75 HB3 ASN 9 3HB ASN 9 10.740 -3.016 -4.723 76 HD21 ASN 9 2HD2 ASN 9 12.780 -0.264 -6.878 77 HD22 ASN 9 1HD2 ASN 9 11.162 -0.724 -7.275 78 H LEU 10 H LEU 10 9.822 -5.666 -5.143 79 HA LEU 10 HA LEU 10 12.328 -6.751 -4.158 80 HB2 LEU 10 2HB LEU 10 10.965 -6.745 -2.369 81 HB3 LEU 10 3HB LEU 10 9.505 -6.814 -3.355 82 HG LEU 10 HG LEU 10 11.171 -9.273 -3.077 83 HD11 LEU 10 1HD1 LEU 10 11.022 -9.188 -0.850 84 HD12 LEU 10 2HD1 LEU 10 9.313 -9.549 -1.091 85 HD13 LEU 10 3HD1 LEU 10 9.841 -7.879 -0.883 86 HD21 LEU 10 3HD2 LEU 10 8.313 -8.572 -3.613 87 HD22 LEU 10 1HD2 LEU 10 8.736 -10.171 -2.999 88 HD23 LEU 10 2HD2 LEU 10 9.405 -9.610 -4.531 89 H PHE 11 H PHE 11 9.919 -7.496 -6.501 90 HA PHE 11 HA PHE 11 9.900 -10.198 -6.751 91 HB2 PHE 11 2HB PHE 11 9.821 -7.975 -8.726 92 HB3 PHE 11 3HB PHE 11 10.058 -9.602 -9.354 93 HD1 PHE 11 HD1 PHE 11 8.311 -10.311 -6.576 94 HD2 PHE 11 HD2 PHE 11 7.750 -8.292 -10.281 95 HE1 PHE 11 HE1 PHE 11 5.890 -10.719 -6.428 96 HE2 PHE 11 HE2 PHE 11 5.328 -8.696 -10.138 97 HZ PHE 11 HZ PHE 11 4.394 -9.910 -8.210 98 H ARG 12 H ARG 12 11.409 -11.711 -6.866 99 HA ARG 12 HA ARG 12 14.161 -11.075 -7.262 100 HB2 ARG 12 2HB ARG 12 14.211 -12.916 -5.979 101 HB3 ARG 12 3HB ARG 12 12.590 -13.394 -6.463 102 HG2 ARG 12 2HG ARG 12 13.391 -14.546 -8.362 103 HG3 ARG 12 3HG ARG 12 14.998 -13.833 -8.203 104 HD2 ARG 12 2HD ARG 12 14.400 -15.129 -5.762 105 HD3 ARG 12 3HD ARG 12 13.981 -16.243 -7.063 106 HE ARG 12 HE ARG 12 16.213 -16.409 -7.615 107 HH11 ARG 12 1HH1 ARG 12 15.741 -13.861 -5.290 108 HH12 ARG 12 2HH1 ARG 12 17.432 -13.665 -4.967 109 HH21 ARG 12 2HH2 ARG 12 18.968 -14.973 -6.053 110 HH22 ARG 12 1HH2 ARG 12 18.442 -16.160 -7.198 111 H LYS 13 H LYS 13 11.899 -13.118 -9.117 112 HA LYS 13 HA LYS 13 13.707 -13.059 -11.399 113 HB2 LYS 13 2HB LYS 13 12.692 -15.195 -10.813 114 HB3 LYS 13 3HB LYS 13 11.084 -14.499 -10.964 115 HG2 LYS 13 2HG LYS 13 11.974 -15.925 -12.891 116 HG3 LYS 13 3HG LYS 13 11.215 -14.380 -13.282 117 HD2 LYS 13 2HD LYS 13 13.291 -14.751 -14.554 118 HD3 LYS 13 3HD LYS 13 13.394 -13.336 -13.505 119 HE2 LYS 13 2HE LYS 13 15.122 -14.196 -12.395 120 HE3 LYS 13 3HE LYS 13 14.268 -15.715 -12.126 121 HZ1 LYS 13 3HZ LYS 13 14.960 -15.797 -14.761 122 HZ2 LYS 13 1HZ LYS 13 15.753 -16.601 -13.501 123 HZ3 LYS 13 2HZ LYS 13 16.312 -15.094 -14.026 124 H LEU 14 H LEU 14 10.285 -13.211 -11.919 125 HA LEU 14 HA LEU 14 10.365 -10.536 -13.154 126 HB2 LEU 14 2HB LEU 14 10.304 -12.043 -14.950 127 HB3 LEU 14 3HB LEU 14 9.154 -13.100 -14.133 128 HG LEU 14 HG LEU 14 7.875 -10.605 -14.471 129 HD11 LEU 14 1HD1 LEU 14 8.017 -10.885 -17.133 130 HD12 LEU 14 2HD1 LEU 14 9.669 -11.325 -16.702 131 HD13 LEU 14 3HD1 LEU 14 9.021 -9.757 -16.222 132 HD21 LEU 14 3HD2 LEU 14 7.237 -12.755 -16.365 133 HD22 LEU 14 1HD2 LEU 14 6.211 -11.930 -15.190 134 HD23 LEU 14 2HD2 LEU 14 7.267 -13.244 -14.670 135 H THR 15 H THR 15 7.624 -12.727 -12.883 136 HA THR 15 HA THR 15 6.388 -10.878 -10.951 137 HB THR 15 HB THR 15 5.214 -12.015 -13.473 138 HG1 THR 15 HG1 THR 15 5.397 -9.979 -13.987 139 HG21 THR 15 3HG2 THR 15 3.513 -10.727 -11.367 140 HG22 THR 15 1HG2 THR 15 3.794 -12.467 -11.354 141 HG23 THR 15 2HG2 THR 15 3.022 -11.710 -12.747 142 H HIS 16 H HIS 16 5.671 -14.021 -12.488 143 HA HIS 16 HA HIS 16 5.350 -15.164 -9.796 144 HB2 HIS 16 2HB HIS 16 3.521 -16.618 -10.941 145 HB3 HIS 16 3HB HIS 16 3.117 -14.980 -10.432 146 HD1 HIS 16 HD1 HIS 16 4.927 -15.939 -13.618 147 HD2 HIS 16 HD2 HIS 16 1.308 -14.324 -12.371 148 HE1 HIS 16 HE1 HIS 16 3.756 -15.210 -15.720 149 H ARG 17 H ARG 17 7.334 -15.194 -12.211 150 HA ARG 17 HA ARG 17 7.540 -17.615 -13.429 151 HB2 ARG 17 2HB ARG 17 9.442 -15.564 -12.562 152 HB3 ARG 17 3HB ARG 17 10.156 -17.165 -12.697 153 HG2 ARG 17 2HG ARG 17 10.357 -15.814 -14.755 154 HG3 ARG 17 3HG ARG 17 9.491 -17.332 -14.995 155 HD2 ARG 17 2HD ARG 17 7.704 -15.172 -14.266 156 HD3 ARG 17 3HD ARG 17 8.633 -14.792 -15.716 157 HE ARG 17 HE ARG 17 6.527 -16.708 -15.476 158 HH11 ARG 17 1HH1 ARG 17 9.472 -15.957 -17.175 159 HH12 ARG 17 2HH1 ARG 17 9.045 -16.869 -18.585 160 HH21 ARG 17 2HH2 ARG 17 7.043 -17.979 -18.671 161 HH22 ARG 17 1HH2 ARG 17 5.954 -17.912 -17.327 162 H LEU 18 H LEU 18 9.732 -17.132 -10.707 163 HA LEU 18 HA LEU 18 8.884 -19.738 -9.628 164 HB2 LEU 18 2HB LEU 18 11.190 -20.253 -9.101 165 HB3 LEU 18 3HB LEU 18 10.998 -19.963 -10.828 166 HG LEU 18 HG LEU 18 11.933 -17.739 -9.069 167 HD11 LEU 18 1HD1 LEU 18 13.476 -20.175 -9.835 168 HD12 LEU 18 2HD1 LEU 18 13.496 -19.257 -8.330 169 HD13 LEU 18 3HD1 LEU 18 14.287 -18.610 -9.767 170 HD21 LEU 18 3HD2 LEU 18 11.591 -17.006 -11.238 171 HD22 LEU 18 1HD2 LEU 18 12.140 -18.524 -11.948 172 HD23 LEU 18 2HD2 LEU 18 13.309 -17.408 -11.243 173 H PHE 19 H PHE 19 7.697 -17.608 -8.586 174 HA PHE 19 HA PHE 19 9.218 -16.658 -6.292 175 HB2 PHE 19 2HB PHE 19 6.413 -16.004 -7.217 176 HB3 PHE 19 3HB PHE 19 7.232 -15.244 -5.857 177 HD1 PHE 19 HD1 PHE 19 7.315 -15.685 -9.522 178 HD2 PHE 19 HD2 PHE 19 8.742 -13.468 -6.181 179 HE1 PHE 19 HE1 PHE 19 8.282 -14.014 -11.048 180 HE2 PHE 19 HE2 PHE 19 9.710 -11.794 -7.701 181 HZ PHE 19 HZ PHE 19 9.480 -12.065 -10.138 182 H ARG 20 H ARG 20 7.487 -19.349 -6.991 183 HA ARG 20 HA ARG 20 6.725 -19.720 -4.173 184 HB2 ARG 20 2HB ARG 20 4.738 -20.875 -4.782 185 HB3 ARG 20 3HB ARG 20 4.752 -19.383 -5.711 186 HG2 ARG 20 2HG ARG 20 6.051 -21.379 -7.250 187 HG3 ARG 20 3HG ARG 20 4.535 -22.048 -6.642 188 HD2 ARG 20 2HD ARG 20 4.773 -19.384 -8.031 189 HD3 ARG 20 3HD ARG 20 4.352 -20.889 -8.849 190 HE ARG 20 HE ARG 20 2.646 -19.285 -7.190 191 HH11 ARG 20 1HH1 ARG 20 3.247 -22.491 -8.406 192 HH12 ARG 20 2HH1 ARG 20 1.604 -23.010 -8.223 193 HH21 ARG 20 2HH2 ARG 20 0.031 -21.566 -7.392 194 HH22 ARG 20 1HH2 ARG 20 0.480 -19.956 -6.944 195 H ARG 21 H ARG 21 9.167 -20.445 -5.603 196 HA ARG 21 HA ARG 21 8.992 -23.378 -5.379 197 HB2 ARG 21 2HB ARG 21 10.923 -21.784 -7.073 198 HB3 ARG 21 3HB ARG 21 10.823 -23.537 -6.981 199 HG2 ARG 21 2HG ARG 21 8.687 -21.700 -8.044 200 HG3 ARG 21 3HG ARG 21 9.778 -22.699 -9.007 201 HD2 ARG 21 2HD ARG 21 8.681 -24.506 -7.254 202 HD3 ARG 21 3HD ARG 21 7.333 -23.418 -7.585 203 HE ARG 21 HE ARG 21 8.540 -25.287 -9.404 204 HH11 ARG 21 1HH1 ARG 21 6.700 -22.345 -9.124 205 HH12 ARG 21 2HH1 ARG 21 5.985 -22.489 -10.695 206 HH21 ARG 21 2HH2 ARG 21 6.499 -24.277 -12.031 207 HH22 ARG 21 1HH2 ARG 21 7.605 -25.488 -11.475 208 H ASN 22 H ASN 22 10.943 -20.507 -4.752 209 HA ASN 22 HA ASN 22 12.556 -22.087 -2.860 210 HB2 ASN 22 2HB ASN 22 13.248 -19.960 -4.779 211 HB3 ASN 22 3HB ASN 22 13.977 -19.781 -3.185 212 HD21 ASN 22 2HD2 ASN 22 15.790 -22.883 -3.447 213 HD22 ASN 22 1HD2 ASN 22 14.792 -22.020 -2.331 214 H PHE 23 H PHE 23 10.661 -19.181 -3.331 215 HA PHE 23 HA PHE 23 10.804 -18.683 -0.430 216 HB2 PHE 23 2HB PHE 23 10.013 -16.280 -1.398 217 HB3 PHE 23 3HB PHE 23 11.695 -16.706 -1.096 218 HD1 PHE 23 HD1 PHE 23 12.651 -18.198 -3.219 219 HD2 PHE 23 HD2 PHE 23 9.699 -15.135 -3.348 220 HE1 PHE 23 HE1 PHE 23 13.181 -17.791 -5.587 221 HE2 PHE 23 HE2 PHE 23 10.223 -14.724 -5.716 222 HZ PHE 23 HZ PHE 23 11.966 -16.053 -6.839 223 H GLY 24 H GLY 24 8.947 -18.905 0.627 224 HA2 GLY 24 2HA GLY 24 6.592 -19.827 -0.408 225 HA3 GLY 24 3HA GLY 24 6.687 -18.897 1.080 226 H TYR 25 H TYR 25 6.073 -18.768 -2.358 227 HA TYR 25 HA TYR 25 5.807 -16.405 -3.296 228 HB2 TYR 25 2HB TYR 25 4.441 -18.414 -4.034 229 HB3 TYR 25 3HB TYR 25 3.207 -17.886 -2.895 230 HD1 TYR 25 HD1 TYR 25 4.584 -17.466 -6.180 231 HD2 TYR 25 HD2 TYR 25 2.189 -15.581 -3.212 232 HE1 TYR 25 HE1 TYR 25 3.662 -15.958 -7.890 233 HE2 TYR 25 HE2 TYR 25 1.260 -14.068 -4.914 234 HH TYR 25 HH TYR 25 2.585 -13.507 -7.795 235 H THR 26 H THR 26 6.133 -14.790 -1.745 236 HA THR 26 HA THR 26 3.958 -14.232 0.126 237 HB THR 26 HB THR 26 6.547 -14.112 0.631 238 HG1 THR 26 HG1 THR 26 5.910 -12.243 2.104 239 HG21 THR 26 3HG2 THR 26 6.075 -11.239 -0.093 240 HG22 THR 26 1HG2 THR 26 6.753 -12.367 -1.267 241 HG23 THR 26 2HG2 THR 26 7.595 -12.063 0.252 242 H LEU 27 H LEU 27 4.838 -13.418 -2.988 243 HA LEU 27 HA LEU 27 4.452 -10.715 -3.266 244 HB2 LEU 27 2HB LEU 27 3.099 -12.472 -5.237 245 HB3 LEU 27 3HB LEU 27 4.164 -11.092 -5.497 246 HG LEU 27 HG LEU 27 4.973 -13.909 -4.787 247 HD11 LEU 27 1HD1 LEU 27 4.456 -12.681 -7.242 248 HD12 LEU 27 2HD1 LEU 27 5.276 -14.217 -6.963 249 HD13 LEU 27 3HD1 LEU 27 6.213 -12.730 -7.098 250 HD21 LEU 27 3HD2 LEU 27 7.225 -12.393 -5.452 251 HD22 LEU 27 1HD2 LEU 27 6.807 -13.055 -3.872 252 HD23 LEU 27 2HD2 LEU 27 6.320 -11.414 -4.296 253 H ARG 28 H ARG 28 2.108 -13.150 -2.486 254 HA ARG 28 HA ARG 28 -0.240 -11.766 -3.191 255 HB2 ARG 28 2HB ARG 28 0.455 -14.086 -1.501 256 HB3 ARG 28 3HB ARG 28 -1.043 -13.268 -1.078 257 HG2 ARG 28 2HG ARG 28 -2.103 -13.941 -2.955 258 HG3 ARG 28 3HG ARG 28 -0.640 -13.869 -3.939 259 HD2 ARG 28 2HD ARG 28 -0.834 -16.122 -3.850 260 HD3 ARG 28 3HD ARG 28 0.022 -15.897 -2.325 261 HE ARG 28 HE ARG 28 -1.867 -16.548 -1.207 262 HH11 ARG 28 1HH1 ARG 28 -2.691 -15.788 -4.503 263 HH12 ARG 28 2HH1 ARG 28 -4.313 -16.383 -4.373 264 HH21 ARG 28 2HH2 ARG 28 -5.057 -17.262 -2.392 265 HH22 ARG 28 1HH2 ARG 28 -4.000 -17.335 -1.023 Start of MODEL 16 1 H1 LYS 1 H LYS 1 1.003 -1.561 2.032 2 HA LYS 1 HA LYS 1 1.146 -0.763 -0.793 3 HB2 LYS 1 2HB LYS 1 1.610 1.018 1.217 4 HB3 LYS 1 3HB LYS 1 3.227 0.377 0.956 5 HG2 LYS 1 2HG LYS 1 3.446 1.380 -1.044 6 HG3 LYS 1 3HG LYS 1 1.755 1.123 -1.479 7 HD2 LYS 1 2HD LYS 1 1.243 2.916 0.293 8 HD3 LYS 1 3HD LYS 1 2.961 3.309 0.187 9 HE2 LYS 1 2HE LYS 1 2.742 4.268 -1.838 10 HE3 LYS 1 3HE LYS 1 1.589 3.058 -2.398 11 HZ1 LYS 1 3HZ LYS 1 -0.151 4.175 -1.175 12 HZ2 LYS 1 1HZ LYS 1 0.599 5.268 -2.227 13 HZ3 LYS 1 2HZ LYS 1 0.948 5.312 -0.573 14 H TYR 2 H TYR 2 1.552 -3.308 0.703 15 HA TYR 2 HA TYR 2 4.374 -3.778 -0.007 16 HB2 TYR 2 2HB TYR 2 3.710 -4.055 2.433 17 HB3 TYR 2 3HB TYR 2 2.754 -5.441 1.922 18 HD1 TYR 2 HD1 TYR 2 5.937 -4.354 3.020 19 HD2 TYR 2 HD2 TYR 2 4.032 -7.279 0.587 20 HE1 TYR 2 HE1 TYR 2 7.932 -5.782 3.186 21 HE2 TYR 2 HE2 TYR 2 6.022 -8.716 0.747 22 HH TYR 2 HH TYR 2 7.941 -9.046 2.214 23 H GLU 3 H GLU 3 1.075 -4.785 -0.401 24 HA GLU 3 HA GLU 3 1.174 -7.315 -1.359 25 HB2 GLU 3 2HB GLU 3 -0.391 -4.944 -2.348 26 HB3 GLU 3 3HB GLU 3 -0.600 -6.538 -3.058 27 HG2 GLU 3 2HG GLU 3 -0.969 -7.292 -0.599 28 HG3 GLU 3 3HG GLU 3 -1.292 -5.581 -0.320 29 H ILE 4 H ILE 4 1.157 -4.674 -3.734 30 HA ILE 4 HA ILE 4 3.336 -6.022 -5.175 31 HB ILE 4 HB ILE 4 1.139 -6.617 -6.197 32 HG12 ILE 4 2HG1 ILE 4 3.175 -5.023 -7.738 33 HG13 ILE 4 3HG1 ILE 4 2.995 -6.771 -7.644 34 HG21 ILE 4 1HG2 ILE 4 1.005 -3.689 -6.902 35 HG22 ILE 4 2HG2 ILE 4 -0.136 -4.943 -7.383 36 HG23 ILE 4 3HG2 ILE 4 0.005 -4.484 -5.686 37 HD11 ILE 4 3HD1 ILE 4 2.223 -6.243 -9.762 38 HD12 ILE 4 1HD1 ILE 4 0.745 -6.395 -8.813 39 HD13 ILE 4 2HD1 ILE 4 1.383 -4.797 -9.203 40 H THR 5 H THR 5 1.570 -3.097 -4.446 41 HA THR 5 HA THR 5 2.564 -1.184 -6.055 42 HB THR 5 HB THR 5 2.373 0.418 -4.289 43 HG1 THR 5 HG1 THR 5 3.575 -0.520 -2.655 44 HG21 THR 5 3HG2 THR 5 0.188 -0.037 -3.451 45 HG22 THR 5 1HG2 THR 5 0.425 -1.778 -3.599 46 HG23 THR 5 2HG2 THR 5 0.290 -0.780 -5.047 47 H THR 6 H THR 6 4.344 -2.806 -3.482 48 HA THR 6 HA THR 6 6.798 -1.476 -4.434 49 HB THR 6 HB THR 6 5.945 -1.024 -2.005 50 HG1 THR 6 HG1 THR 6 7.903 -0.226 -2.167 51 HG21 THR 6 3HG2 THR 6 6.706 -2.602 -0.350 52 HG22 THR 6 1HG2 THR 6 7.388 -3.644 -1.598 53 HG23 THR 6 2HG2 THR 6 5.641 -3.437 -1.480 54 H ILE 7 H ILE 7 5.198 -4.445 -3.692 55 HA ILE 7 HA ILE 7 7.273 -6.226 -3.338 56 HB ILE 7 HB ILE 7 4.550 -6.453 -3.767 57 HG12 ILE 7 2HG1 ILE 7 4.906 -8.829 -3.219 58 HG13 ILE 7 3HG1 ILE 7 6.619 -8.656 -3.584 59 HG21 ILE 7 1HG2 ILE 7 4.914 -6.601 -6.180 60 HG22 ILE 7 2HG2 ILE 7 5.997 -7.970 -5.935 61 HG23 ILE 7 3HG2 ILE 7 4.287 -8.116 -5.532 62 HD11 ILE 7 3HD1 ILE 7 5.194 -8.090 -1.156 63 HD12 ILE 7 1HD1 ILE 7 6.930 -8.185 -1.447 64 HD13 ILE 7 2HD1 ILE 7 6.072 -6.667 -1.717 65 H HIS 8 H HIS 8 6.035 -4.857 -6.348 66 HA HIS 8 HA HIS 8 7.336 -6.413 -8.213 67 HB2 HIS 8 2HB HIS 8 7.137 -4.562 -9.742 68 HB3 HIS 8 3HB HIS 8 5.711 -4.577 -8.708 69 HD1 HIS 8 HD1 HIS 8 7.377 -3.171 -6.290 70 HD2 HIS 8 HD2 HIS 8 6.874 -1.803 -10.180 71 HE1 HIS 8 HE1 HIS 8 7.730 -0.683 -6.179 72 H ASN 9 H ASN 9 8.672 -4.120 -6.000 73 HA ASN 9 HA ASN 9 11.143 -3.729 -7.400 74 HB2 ASN 9 2HB ASN 9 10.026 -2.204 -5.616 75 HB3 ASN 9 3HB ASN 9 10.792 -3.279 -4.450 76 HD21 ASN 9 2HD2 ASN 9 13.011 -0.393 -5.125 77 HD22 ASN 9 1HD2 ASN 9 11.383 -0.592 -4.579 78 H LEU 10 H LEU 10 9.987 -5.861 -4.853 79 HA LEU 10 HA LEU 10 12.610 -6.997 -4.405 80 HB2 LEU 10 2HB LEU 10 11.616 -7.277 -2.430 81 HB3 LEU 10 3HB LEU 10 10.007 -7.072 -3.121 82 HG LEU 10 HG LEU 10 11.464 -9.674 -3.412 83 HD11 LEU 10 1HD1 LEU 10 11.498 -9.912 -1.196 84 HD12 LEU 10 2HD1 LEU 10 9.743 -10.040 -1.301 85 HD13 LEU 10 3HD1 LEU 10 10.493 -8.485 -0.940 86 HD21 LEU 10 3HD2 LEU 10 9.584 -9.850 -4.671 87 HD22 LEU 10 1HD2 LEU 10 8.706 -8.644 -3.731 88 HD23 LEU 10 2HD2 LEU 10 8.887 -10.284 -3.109 89 H PHE 11 H PHE 11 9.959 -7.534 -6.487 90 HA PHE 11 HA PHE 11 9.644 -10.107 -7.013 91 HB2 PHE 11 2HB PHE 11 9.923 -7.757 -8.760 92 HB3 PHE 11 3HB PHE 11 10.188 -9.298 -9.570 93 HD1 PHE 11 HD1 PHE 11 8.190 -8.768 -10.943 94 HD2 PHE 11 HD2 PHE 11 7.966 -9.307 -6.727 95 HE1 PHE 11 HE1 PHE 11 5.757 -9.092 -11.117 96 HE2 PHE 11 HE2 PHE 11 5.533 -9.632 -6.894 97 HZ PHE 11 HZ PHE 11 4.425 -9.526 -9.091 98 H ARG 12 H ARG 12 11.049 -11.719 -6.748 99 HA ARG 12 HA ARG 12 13.826 -11.548 -7.104 100 HB2 ARG 12 2HB ARG 12 13.192 -13.302 -5.732 101 HB3 ARG 12 3HB ARG 12 11.881 -13.796 -6.795 102 HG2 ARG 12 2HG ARG 12 13.731 -15.412 -6.741 103 HG3 ARG 12 3HG ARG 12 13.448 -14.756 -8.354 104 HD2 ARG 12 2HD ARG 12 15.287 -13.123 -7.930 105 HD3 ARG 12 3HD ARG 12 15.621 -13.970 -6.420 106 HE ARG 12 HE ARG 12 15.628 -15.706 -8.698 107 HH11 ARG 12 1HH1 ARG 12 17.528 -13.454 -6.843 108 HH12 ARG 12 2HH1 ARG 12 19.045 -14.138 -7.323 109 HH21 ARG 12 2HH2 ARG 12 19.096 -15.936 -8.743 110 HH22 ARG 12 1HH2 ARG 12 17.619 -16.615 -9.337 111 H LYS 13 H LYS 13 11.681 -13.629 -9.040 112 HA LYS 13 HA LYS 13 13.534 -13.606 -11.238 113 HB2 LYS 13 2HB LYS 13 11.993 -15.534 -10.495 114 HB3 LYS 13 3HB LYS 13 10.720 -14.669 -11.346 115 HG2 LYS 13 2HG LYS 13 11.840 -16.484 -12.652 116 HG3 LYS 13 3HG LYS 13 11.831 -14.898 -13.426 117 HD2 LYS 13 2HD LYS 13 14.115 -14.523 -12.861 118 HD3 LYS 13 3HD LYS 13 14.148 -15.938 -11.805 119 HE2 LYS 13 2HE LYS 13 13.676 -16.049 -14.781 120 HE3 LYS 13 3HE LYS 13 15.250 -16.274 -14.020 121 HZ1 LYS 13 3HZ LYS 13 12.845 -17.959 -13.575 122 HZ2 LYS 13 1HZ LYS 13 14.337 -18.164 -12.804 123 HZ3 LYS 13 2HZ LYS 13 14.210 -18.392 -14.475 124 H LEU 14 H LEU 14 10.636 -13.702 -12.715 125 HA LEU 14 HA LEU 14 10.911 -10.951 -13.669 126 HB2 LEU 14 2HB LEU 14 10.897 -12.434 -15.465 127 HB3 LEU 14 3HB LEU 14 9.624 -13.426 -14.756 128 HG LEU 14 HG LEU 14 8.522 -10.863 -15.221 129 HD11 LEU 14 1HD1 LEU 14 10.445 -11.731 -17.286 130 HD12 LEU 14 2HD1 LEU 14 9.868 -10.117 -16.875 131 HD13 LEU 14 3HD1 LEU 14 8.866 -11.187 -17.855 132 HD21 LEU 14 3HD2 LEU 14 6.852 -12.092 -16.097 133 HD22 LEU 14 1HD2 LEU 14 7.755 -13.446 -15.416 134 HD23 LEU 14 2HD2 LEU 14 7.938 -13.033 -17.121 135 H THR 15 H THR 15 7.980 -12.920 -13.601 136 HA THR 15 HA THR 15 6.701 -10.856 -11.931 137 HB THR 15 HB THR 15 5.715 -12.114 -14.471 138 HG1 THR 15 HG1 THR 15 6.719 -9.872 -14.092 139 HG21 THR 15 3HG2 THR 15 3.931 -10.755 -12.454 140 HG22 THR 15 1HG2 THR 15 4.022 -12.503 -12.661 141 HG23 THR 15 2HG2 THR 15 3.456 -11.487 -13.986 142 H HIS 16 H HIS 16 5.963 -14.086 -13.265 143 HA HIS 16 HA HIS 16 5.359 -14.991 -10.535 144 HB2 HIS 16 2HB HIS 16 3.486 -16.381 -11.712 145 HB3 HIS 16 3HB HIS 16 3.183 -14.700 -11.286 146 HD1 HIS 16 HD1 HIS 16 5.098 -15.859 -14.333 147 HD2 HIS 16 HD2 HIS 16 1.491 -14.051 -13.342 148 HE1 HIS 16 HE1 HIS 16 4.079 -15.148 -16.519 149 H ARG 17 H ARG 17 7.517 -15.342 -12.709 150 HA ARG 17 HA ARG 17 7.556 -17.873 -13.772 151 HB2 ARG 17 2HB ARG 17 9.740 -16.104 -12.716 152 HB3 ARG 17 3HB ARG 17 10.114 -17.708 -13.334 153 HG2 ARG 17 2HG ARG 17 8.759 -16.913 -15.415 154 HG3 ARG 17 3HG ARG 17 9.117 -15.304 -14.784 155 HD2 ARG 17 2HD ARG 17 11.332 -15.470 -15.240 156 HD3 ARG 17 3HD ARG 17 11.376 -17.204 -14.925 157 HE ARG 17 HE ARG 17 9.976 -16.412 -17.332 158 HH11 ARG 17 1HH1 ARG 17 12.981 -17.444 -15.906 159 HH12 ARG 17 2HH1 ARG 17 13.641 -18.022 -17.400 160 HH21 ARG 17 2HH2 ARG 17 12.420 -17.865 -19.332 161 HH22 ARG 17 1HH2 ARG 17 10.835 -17.170 -19.304 162 H LEU 18 H LEU 18 9.629 -17.263 -10.974 163 HA LEU 18 HA LEU 18 8.617 -19.750 -9.763 164 HB2 LEU 18 2HB LEU 18 10.814 -20.351 -9.086 165 HB3 LEU 18 3HB LEU 18 10.862 -19.991 -10.811 166 HG LEU 18 HG LEU 18 11.541 -17.702 -9.126 167 HD11 LEU 18 1HD1 LEU 18 13.881 -18.714 -8.755 168 HD12 LEU 18 2HD1 LEU 18 13.062 -20.269 -8.892 169 HD13 LEU 18 3HD1 LEU 18 12.589 -19.133 -7.629 170 HD21 LEU 18 3HD2 LEU 18 11.823 -18.230 -11.693 171 HD22 LEU 18 1HD2 LEU 18 13.344 -18.935 -11.146 172 HD23 LEU 18 2HD2 LEU 18 12.996 -17.236 -10.828 173 H PHE 19 H PHE 19 7.447 -17.436 -9.037 174 HA PHE 19 HA PHE 19 8.778 -16.381 -6.678 175 HB2 PHE 19 2HB PHE 19 6.107 -15.715 -7.933 176 HB3 PHE 19 3HB PHE 19 6.787 -14.893 -6.533 177 HD1 PHE 19 HD1 PHE 19 8.416 -13.204 -6.776 178 HD2 PHE 19 HD2 PHE 19 7.245 -15.539 -10.136 179 HE1 PHE 19 HE1 PHE 19 9.608 -11.651 -8.266 180 HE2 PHE 19 HE2 PHE 19 8.436 -13.991 -11.632 181 HZ PHE 19 HZ PHE 19 9.620 -12.044 -10.698 182 H ARG 20 H ARG 20 6.966 -19.045 -7.344 183 HA ARG 20 HA ARG 20 5.989 -19.188 -4.571 184 HB2 ARG 20 2HB ARG 20 4.002 -20.339 -5.280 185 HB3 ARG 20 3HB ARG 20 4.122 -18.839 -6.189 186 HG2 ARG 20 2HG ARG 20 3.816 -20.046 -8.022 187 HG3 ARG 20 3HG ARG 20 5.434 -20.703 -7.768 188 HD2 ARG 20 2HD ARG 20 4.654 -22.690 -7.033 189 HD3 ARG 20 3HD ARG 20 3.289 -21.958 -6.189 190 HE ARG 20 HE ARG 20 2.613 -21.664 -8.782 191 HH11 ARG 20 1HH1 ARG 20 3.683 -24.396 -6.908 192 HH12 ARG 20 2HH1 ARG 20 2.806 -25.553 -7.853 193 HH21 ARG 20 2HH2 ARG 20 1.539 -24.859 -9.631 194 HH22 ARG 20 1HH2 ARG 20 1.454 -23.178 -10.034 195 H ARG 21 H ARG 21 8.473 -20.140 -5.797 196 HA ARG 21 HA ARG 21 8.105 -23.041 -5.429 197 HB2 ARG 21 2HB ARG 21 10.284 -21.650 -6.998 198 HB3 ARG 21 3HB ARG 21 10.049 -23.387 -6.852 199 HG2 ARG 21 2HG ARG 21 8.176 -21.447 -8.191 200 HG3 ARG 21 3HG ARG 21 9.255 -22.589 -8.995 201 HD2 ARG 21 2HD ARG 21 7.865 -24.214 -7.295 202 HD3 ARG 21 3HD ARG 21 6.645 -23.021 -7.740 203 HE ARG 21 HE ARG 21 7.781 -25.049 -9.426 204 HH11 ARG 21 1HH1 ARG 21 6.235 -21.931 -9.354 205 HH12 ARG 21 2HH1 ARG 21 5.619 -22.054 -10.968 206 HH21 ARG 21 2HH2 ARG 21 6.039 -23.927 -12.218 207 HH22 ARG 21 1HH2 ARG 21 6.975 -25.223 -11.552 208 H ASN 22 H ASN 22 10.204 -20.272 -4.786 209 HA ASN 22 HA ASN 22 11.510 -21.835 -2.659 210 HB2 ASN 22 2HB ASN 22 12.515 -19.658 -4.460 211 HB3 ASN 22 3HB ASN 22 13.257 -19.897 -2.881 212 HD21 ASN 22 2HD2 ASN 22 15.393 -22.232 -4.241 213 HD22 ASN 22 1HD2 ASN 22 15.149 -20.810 -3.290 214 H PHE 23 H PHE 23 9.851 -18.870 -3.467 215 HA PHE 23 HA PHE 23 9.810 -18.168 -0.605 216 HB2 PHE 23 2HB PHE 23 9.219 -15.810 -1.828 217 HB3 PHE 23 3HB PHE 23 10.836 -16.280 -1.313 218 HD1 PHE 23 HD1 PHE 23 9.152 -14.836 -3.890 219 HD2 PHE 23 HD2 PHE 23 11.946 -17.970 -3.190 220 HE1 PHE 23 HE1 PHE 23 9.941 -14.647 -6.213 221 HE2 PHE 23 HE2 PHE 23 12.739 -17.786 -5.512 222 HZ PHE 23 HZ PHE 23 11.737 -16.123 -7.027 223 H GLY 24 H GLY 24 7.871 -18.210 0.320 224 HA2 GLY 24 2HA GLY 24 5.548 -19.080 -0.838 225 HA3 GLY 24 3HA GLY 24 5.589 -18.067 0.598 226 H TYR 25 H TYR 25 5.257 -18.105 -2.884 227 HA TYR 25 HA TYR 25 5.191 -15.789 -3.962 228 HB2 TYR 25 2HB TYR 25 3.726 -17.833 -4.596 229 HB3 TYR 25 3HB TYR 25 2.444 -16.989 -3.735 230 HD1 TYR 25 HD1 TYR 25 4.600 -16.968 -6.696 231 HD2 TYR 25 HD2 TYR 25 1.482 -14.945 -4.624 232 HE1 TYR 25 HE1 TYR 25 4.124 -15.645 -8.714 233 HE2 TYR 25 HE2 TYR 25 0.997 -13.618 -6.637 234 HH TYR 25 HH TYR 25 1.706 -14.319 -9.517 235 H THR 26 H THR 26 5.482 -14.115 -2.464 236 HA THR 26 HA THR 26 3.226 -13.356 -0.780 237 HB THR 26 HB THR 26 5.764 -13.270 -0.125 238 HG1 THR 26 HG1 THR 26 5.109 -11.171 1.062 239 HG21 THR 26 3HG2 THR 26 5.465 -10.485 -1.221 240 HG22 THR 26 1HG2 THR 26 6.238 -11.773 -2.145 241 HG23 THR 26 2HG2 THR 26 6.915 -11.271 -0.595 242 H LEU 27 H LEU 27 4.285 -12.773 -3.894 243 HA LEU 27 HA LEU 27 3.929 -10.067 -4.326 244 HB2 LEU 27 2HB LEU 27 2.845 -12.014 -6.306 245 HB3 LEU 27 3HB LEU 27 3.785 -10.548 -6.574 246 HG LEU 27 HG LEU 27 4.789 -13.244 -5.684 247 HD11 LEU 27 1HD1 LEU 27 5.283 -13.542 -7.822 248 HD12 LEU 27 2HD1 LEU 27 6.199 -12.036 -7.851 249 HD13 LEU 27 3HD1 LEU 27 4.471 -12.024 -8.204 250 HD21 LEU 27 3HD2 LEU 27 5.878 -10.595 -5.190 251 HD22 LEU 27 1HD2 LEU 27 6.986 -11.629 -6.092 252 HD23 LEU 27 2HD2 LEU 27 6.360 -12.159 -4.531 253 H ARG 28 H ARG 28 1.583 -12.468 -3.549 254 HA ARG 28 HA ARG 28 -0.746 -11.402 -4.615 255 HB2 ARG 28 2HB ARG 28 -1.939 -12.630 -2.916 256 HB3 ARG 28 3HB ARG 28 -0.569 -13.592 -3.455 257 HG2 ARG 28 2HG ARG 28 0.668 -12.618 -1.436 258 HG3 ARG 28 3HG ARG 28 -0.930 -12.130 -0.867 259 HD2 ARG 28 2HD ARG 28 -1.686 -14.397 -0.840 260 HD3 ARG 28 3HD ARG 28 -0.223 -14.951 -1.652 261 HE ARG 28 HE ARG 28 0.474 -13.681 0.758 262 HH11 ARG 28 1HH1 ARG 28 -1.055 -16.580 -0.416 263 HH12 ARG 28 2HH1 ARG 28 -0.601 -17.532 0.959 264 HH21 ARG 28 2HH2 ARG 28 0.611 -16.588 2.659 265 HH22 ARG 28 1HH2 ARG 28 1.077 -14.923 2.573 Start of MODEL 17 1 H1 LYS 1 H LYS 1 3.671 -0.503 2.313 2 HA LYS 1 HA LYS 1 0.990 -1.104 1.330 3 HB2 LYS 1 2HB LYS 1 2.745 0.958 -0.011 4 HB3 LYS 1 3HB LYS 1 1.136 0.456 -0.515 5 HG2 LYS 1 2HG LYS 1 0.497 2.304 0.582 6 HG3 LYS 1 3HG LYS 1 0.620 1.265 2.004 7 HD2 LYS 1 2HD LYS 1 1.949 2.925 2.766 8 HD3 LYS 1 3HD LYS 1 3.176 2.103 1.799 9 HE2 LYS 1 2HE LYS 1 3.460 4.053 0.754 10 HE3 LYS 1 3HE LYS 1 1.909 3.740 -0.025 11 HZ1 LYS 1 3HZ LYS 1 2.192 5.955 1.142 12 HZ2 LYS 1 1HZ LYS 1 2.090 5.097 2.597 13 HZ3 LYS 1 2HZ LYS 1 0.793 5.078 1.510 14 H TYR 2 H TYR 2 2.331 -3.177 1.492 15 HA TYR 2 HA TYR 2 4.434 -3.692 -0.300 16 HB2 TYR 2 2HB TYR 2 3.537 -5.081 1.723 17 HB3 TYR 2 3HB TYR 2 2.494 -5.830 0.518 18 HD1 TYR 2 HD1 TYR 2 3.351 -8.010 0.393 19 HD2 TYR 2 HD2 TYR 2 6.009 -4.700 0.091 20 HE1 TYR 2 HE1 TYR 2 5.173 -9.537 -0.237 21 HE2 TYR 2 HE2 TYR 2 7.837 -6.219 -0.542 22 HH TYR 2 HH TYR 2 8.076 -8.487 -1.565 23 H GLU 3 H GLU 3 1.101 -3.261 -0.831 24 HA GLU 3 HA GLU 3 0.191 -4.805 -2.768 25 HB2 GLU 3 2HB GLU 3 -0.835 -2.875 -3.871 26 HB3 GLU 3 3HB GLU 3 -0.920 -2.725 -2.121 27 HG2 GLU 3 2HG GLU 3 0.834 -1.118 -2.094 28 HG3 GLU 3 3HG GLU 3 1.191 -1.396 -3.798 29 H ILE 4 H ILE 4 0.599 -5.416 -4.830 30 HA ILE 4 HA ILE 4 2.907 -5.758 -5.987 31 HB ILE 4 HB ILE 4 0.818 -6.315 -7.133 32 HG12 ILE 4 2HG1 ILE 4 2.918 -4.800 -8.669 33 HG13 ILE 4 3HG1 ILE 4 2.717 -6.542 -8.513 34 HG21 ILE 4 1HG2 ILE 4 0.722 -3.448 -8.047 35 HG22 ILE 4 2HG2 ILE 4 -0.457 -4.720 -8.363 36 HG23 ILE 4 3HG2 ILE 4 -0.256 -4.091 -6.728 37 HD11 ILE 4 3HD1 ILE 4 1.907 -6.292 -10.603 38 HD12 ILE 4 1HD1 ILE 4 0.415 -5.975 -9.718 39 HD13 ILE 4 2HD1 ILE 4 1.384 -4.631 -10.324 40 H THR 5 H THR 5 1.295 -2.611 -6.032 41 HA THR 5 HA THR 5 2.750 -1.087 -7.689 42 HB THR 5 HB THR 5 1.084 -0.516 -5.584 43 HG1 THR 5 HG1 THR 5 2.533 0.997 -7.453 44 HG21 THR 5 3HG2 THR 5 3.746 0.793 -5.010 45 HG22 THR 5 1HG2 THR 5 2.993 -0.462 -4.026 46 HG23 THR 5 2HG2 THR 5 2.223 1.117 -4.182 47 H THR 6 H THR 6 3.866 -2.309 -4.578 48 HA THR 6 HA THR 6 6.575 -1.369 -5.261 49 HB THR 6 HB THR 6 5.317 -0.337 -3.189 50 HG1 THR 6 HG1 THR 6 8.004 -1.292 -3.131 51 HG21 THR 6 3HG2 THR 6 5.683 -1.524 -1.127 52 HG22 THR 6 1HG2 THR 6 6.512 -2.829 -1.974 53 HG23 THR 6 2HG2 THR 6 4.785 -2.573 -2.224 54 H ILE 7 H ILE 7 4.556 -3.997 -4.485 55 HA ILE 7 HA ILE 7 6.293 -5.788 -3.249 56 HB ILE 7 HB ILE 7 3.719 -5.916 -4.390 57 HG12 ILE 7 2HG1 ILE 7 4.948 -8.324 -3.137 58 HG13 ILE 7 3HG1 ILE 7 4.913 -6.840 -2.191 59 HG21 ILE 7 1HG2 ILE 7 4.765 -6.867 -6.396 60 HG22 ILE 7 2HG2 ILE 7 5.486 -8.137 -5.407 61 HG23 ILE 7 3HG2 ILE 7 3.733 -8.037 -5.574 62 HD11 ILE 7 3HD1 ILE 7 2.933 -8.676 -2.254 63 HD12 ILE 7 1HD1 ILE 7 2.709 -6.977 -1.839 64 HD13 ILE 7 2HD1 ILE 7 2.376 -7.535 -3.478 65 H HIS 8 H HIS 8 6.021 -4.837 -6.608 66 HA HIS 8 HA HIS 8 7.472 -6.903 -7.804 67 HB2 HIS 8 2HB HIS 8 7.834 -5.370 -9.658 68 HB3 HIS 8 3HB HIS 8 6.187 -5.201 -9.058 69 HD1 HIS 8 HD1 HIS 8 7.356 -3.385 -6.563 70 HD2 HIS 8 HD2 HIS 8 7.680 -2.719 -10.651 71 HE1 HIS 8 HE1 HIS 8 7.743 -0.912 -6.813 72 H ASN 9 H ASN 9 8.506 -4.266 -5.831 73 HA ASN 9 HA ASN 9 11.182 -4.049 -6.661 74 HB2 ASN 9 2HB ASN 9 9.971 -2.442 -5.158 75 HB3 ASN 9 3HB ASN 9 10.127 -3.621 -3.859 76 HD21 ASN 9 2HD2 ASN 9 13.515 -1.797 -5.268 77 HD22 ASN 9 1HD2 ASN 9 12.195 -2.130 -6.332 78 H LEU 10 H LEU 10 9.541 -6.457 -4.832 79 HA LEU 10 HA LEU 10 12.071 -7.601 -3.889 80 HB2 LEU 10 2HB LEU 10 10.651 -7.591 -2.087 81 HB3 LEU 10 3HB LEU 10 9.221 -7.872 -3.077 82 HG LEU 10 HG LEU 10 11.153 -10.101 -2.930 83 HD11 LEU 10 1HD1 LEU 10 9.667 -10.581 -0.696 84 HD12 LEU 10 2HD1 LEU 10 10.012 -8.859 -0.541 85 HD13 LEU 10 3HD1 LEU 10 11.336 -10.012 -0.702 86 HD21 LEU 10 3HD2 LEU 10 8.538 -9.704 -3.772 87 HD22 LEU 10 1HD2 LEU 10 8.385 -10.619 -2.272 88 HD23 LEU 10 2HD2 LEU 10 9.368 -11.250 -3.594 89 H PHE 11 H PHE 11 9.629 -7.989 -6.256 90 HA PHE 11 HA PHE 11 9.420 -10.618 -6.815 91 HB2 PHE 11 2HB PHE 11 9.619 -8.205 -8.541 92 HB3 PHE 11 3HB PHE 11 9.750 -9.772 -9.334 93 HD1 PHE 11 HD1 PHE 11 7.756 -9.797 -6.368 94 HD2 PHE 11 HD2 PHE 11 7.671 -8.993 -10.547 95 HE1 PHE 11 HE1 PHE 11 5.304 -10.006 -6.354 96 HE2 PHE 11 HE2 PHE 11 5.219 -9.200 -10.540 97 HZ PHE 11 HZ PHE 11 4.033 -9.706 -8.442 98 H ARG 12 H ARG 12 10.859 -12.203 -6.862 99 HA ARG 12 HA ARG 12 13.636 -11.837 -7.077 100 HB2 ARG 12 2HB ARG 12 13.041 -13.796 -5.985 101 HB3 ARG 12 3HB ARG 12 11.817 -14.210 -7.178 102 HG2 ARG 12 2HG ARG 12 13.812 -15.685 -7.205 103 HG3 ARG 12 3HG ARG 12 13.478 -14.897 -8.748 104 HD2 ARG 12 2HD ARG 12 15.456 -13.874 -8.742 105 HD3 ARG 12 3HD ARG 12 15.216 -13.284 -7.098 106 HE ARG 12 HE ARG 12 15.910 -16.047 -7.143 107 HH11 ARG 12 1HH1 ARG 12 17.219 -12.831 -7.396 108 HH12 ARG 12 2HH1 ARG 12 18.794 -13.287 -6.835 109 HH21 ARG 12 2HH2 ARG 12 19.225 -15.465 -6.272 110 HH22 ARG 12 1HH2 ARG 12 17.979 -16.660 -6.403 111 H LYS 13 H LYS 13 11.738 -13.806 -9.349 112 HA LYS 13 HA LYS 13 13.617 -13.235 -11.464 113 HB2 LYS 13 2HB LYS 13 12.625 -15.484 -11.177 114 HB3 LYS 13 3HB LYS 13 11.038 -14.814 -11.534 115 HG2 LYS 13 2HG LYS 13 12.546 -15.999 -13.373 116 HG3 LYS 13 3HG LYS 13 11.439 -14.678 -13.755 117 HD2 LYS 13 2HD LYS 13 13.191 -13.095 -13.806 118 HD3 LYS 13 3HD LYS 13 14.321 -14.208 -13.032 119 HE2 LYS 13 2HE LYS 13 14.430 -15.571 -14.985 120 HE3 LYS 13 3HE LYS 13 13.095 -14.701 -15.738 121 HZ1 LYS 13 3HZ LYS 13 15.792 -14.167 -15.995 122 HZ2 LYS 13 1HZ LYS 13 15.175 -12.911 -15.044 123 HZ3 LYS 13 2HZ LYS 13 14.506 -13.227 -16.565 124 H LEU 14 H LEU 14 10.427 -13.571 -12.581 125 HA LEU 14 HA LEU 14 10.435 -10.772 -13.466 126 HB2 LEU 14 2HB LEU 14 10.368 -12.257 -15.305 127 HB3 LEU 14 3HB LEU 14 9.124 -13.250 -14.548 128 HG LEU 14 HG LEU 14 7.999 -10.695 -14.826 129 HD11 LEU 14 1HD1 LEU 14 8.733 -11.381 -17.573 130 HD12 LEU 14 2HD1 LEU 14 10.068 -10.765 -16.599 131 HD13 LEU 14 3HD1 LEU 14 8.600 -9.806 -16.789 132 HD21 LEU 14 3HD2 LEU 14 7.362 -12.683 -16.887 133 HD22 LEU 14 1HD2 LEU 14 6.317 -11.890 -15.708 134 HD23 LEU 14 2HD2 LEU 14 7.286 -13.284 -15.230 135 H THR 15 H THR 15 7.613 -12.842 -13.403 136 HA THR 15 HA THR 15 6.439 -11.145 -11.301 137 HB THR 15 HB THR 15 5.320 -11.857 -13.985 138 HG1 THR 15 HG1 THR 15 4.850 -9.685 -13.986 139 HG21 THR 15 3HG2 THR 15 3.579 -11.070 -11.654 140 HG22 THR 15 1HG2 THR 15 3.767 -12.737 -12.196 141 HG23 THR 15 2HG2 THR 15 3.073 -11.531 -13.279 142 H HIS 16 H HIS 16 5.846 -14.137 -13.156 143 HA HIS 16 HA HIS 16 5.181 -15.466 -10.616 144 HB2 HIS 16 2HB HIS 16 3.553 -16.852 -12.099 145 HB3 HIS 16 3HB HIS 16 3.054 -15.257 -11.542 146 HD1 HIS 16 HD1 HIS 16 5.314 -15.951 -14.498 147 HD2 HIS 16 HD2 HIS 16 1.506 -14.509 -13.670 148 HE1 HIS 16 HE1 HIS 16 4.428 -15.095 -16.690 149 H ARG 17 H ARG 17 7.446 -15.313 -12.799 150 HA ARG 17 HA ARG 17 7.844 -17.678 -14.086 151 HB2 ARG 17 2HB ARG 17 9.389 -15.704 -14.084 152 HB3 ARG 17 3HB ARG 17 9.996 -16.244 -12.525 153 HG2 ARG 17 2HG ARG 17 11.423 -17.606 -13.522 154 HG3 ARG 17 3HG ARG 17 10.100 -18.426 -14.354 155 HD2 ARG 17 2HD ARG 17 10.307 -16.124 -15.792 156 HD3 ARG 17 3HD ARG 17 11.986 -16.402 -15.332 157 HE ARG 17 HE ARG 17 11.168 -18.818 -16.255 158 HH11 ARG 17 1HH1 ARG 17 11.114 -15.589 -17.554 159 HH12 ARG 17 2HH1 ARG 17 11.254 -16.109 -19.201 160 HH21 ARG 17 2HH2 ARG 17 11.389 -18.343 -19.692 161 HH22 ARG 17 1HH2 ARG 17 11.353 -19.515 -18.419 162 H LEU 18 H LEU 18 9.647 -17.205 -11.077 163 HA LEU 18 HA LEU 18 8.817 -19.897 -10.222 164 HB2 LEU 18 2HB LEU 18 11.045 -20.382 -9.481 165 HB3 LEU 18 3HB LEU 18 11.088 -19.923 -11.182 166 HG LEU 18 HG LEU 18 11.575 -17.689 -9.363 167 HD11 LEU 18 1HD1 LEU 18 12.955 -20.203 -8.912 168 HD12 LEU 18 2HD1 LEU 18 12.958 -18.721 -7.956 169 HD13 LEU 18 3HD1 LEU 18 14.058 -18.889 -9.324 170 HD21 LEU 18 3HD2 LEU 18 11.996 -17.322 -11.632 171 HD22 LEU 18 1HD2 LEU 18 12.829 -18.866 -11.822 172 HD23 LEU 18 2HD2 LEU 18 13.598 -17.553 -10.930 173 H PHE 19 H PHE 19 7.411 -17.872 -9.253 174 HA PHE 19 HA PHE 19 8.602 -17.021 -6.724 175 HB2 PHE 19 2HB PHE 19 5.951 -16.268 -7.973 176 HB3 PHE 19 3HB PHE 19 6.645 -15.555 -6.521 177 HD1 PHE 19 HD1 PHE 19 7.125 -15.953 -10.165 178 HD2 PHE 19 HD2 PHE 19 8.191 -13.794 -6.655 179 HE1 PHE 19 HE1 PHE 19 8.284 -14.282 -11.549 180 HE2 PHE 19 HE2 PHE 19 9.351 -12.119 -8.033 181 HZ PHE 19 HZ PHE 19 9.398 -12.361 -10.484 182 H ARG 20 H ARG 20 7.634 -19.806 -7.404 183 HA ARG 20 HA ARG 20 5.975 -20.140 -5.005 184 HB2 ARG 20 2HB ARG 20 5.517 -21.701 -7.547 185 HB3 ARG 20 3HB ARG 20 4.537 -21.721 -6.087 186 HG2 ARG 20 2HG ARG 20 3.240 -20.321 -7.272 187 HG3 ARG 20 3HG ARG 20 4.390 -19.110 -6.702 188 HD2 ARG 20 2HD ARG 20 5.077 -18.694 -8.776 189 HD3 ARG 20 3HD ARG 20 5.375 -20.405 -9.076 190 HE ARG 20 HE ARG 20 3.110 -18.874 -9.926 191 HH11 ARG 20 1HH1 ARG 20 4.212 -22.061 -9.060 192 HH12 ARG 20 2HH1 ARG 20 2.998 -22.875 -9.989 193 HH21 ARG 20 2HH2 ARG 20 1.460 -21.665 -11.180 194 HH22 ARG 20 1HH2 ARG 20 1.506 -19.935 -11.153 195 H ARG 21 H ARG 21 8.791 -20.822 -6.508 196 HA ARG 21 HA ARG 21 9.082 -23.608 -5.985 197 HB2 ARG 21 2HB ARG 21 11.176 -21.465 -6.396 198 HB3 ARG 21 3HB ARG 21 11.489 -23.195 -6.381 199 HG2 ARG 21 2HG ARG 21 9.726 -21.755 -8.353 200 HG3 ARG 21 3HG ARG 21 11.377 -22.301 -8.651 201 HD2 ARG 21 2HD ARG 21 9.925 -24.507 -7.641 202 HD3 ARG 21 3HD ARG 21 8.933 -23.754 -8.889 203 HE ARG 21 HE ARG 21 11.545 -23.993 -9.861 204 HH11 ARG 21 1HH1 ARG 21 8.860 -26.012 -8.948 205 HH12 ARG 21 2HH1 ARG 21 9.275 -27.286 -10.046 206 HH21 ARG 21 2HH2 ARG 21 11.121 -27.087 -11.389 207 HH22 ARG 21 1HH2 ARG 21 12.103 -25.664 -11.311 208 H ASN 22 H ASN 22 10.831 -20.889 -4.477 209 HA ASN 22 HA ASN 22 11.024 -22.474 -2.018 210 HB2 ASN 22 2HB ASN 22 12.861 -20.828 -3.415 211 HB3 ASN 22 3HB ASN 22 12.518 -20.029 -1.884 212 HD21 ASN 22 2HD2 ASN 22 13.643 -22.965 -0.011 213 HD22 ASN 22 1HD2 ASN 22 12.210 -22.006 -0.132 214 H PHE 23 H PHE 23 9.833 -19.439 -3.296 215 HA PHE 23 HA PHE 23 8.779 -18.740 -0.641 216 HB2 PHE 23 2HB PHE 23 8.308 -16.566 -2.294 217 HB3 PHE 23 3HB PHE 23 9.632 -16.726 -1.145 218 HD1 PHE 23 HD1 PHE 23 11.741 -17.997 -2.058 219 HD2 PHE 23 HD2 PHE 23 8.797 -16.123 -4.495 220 HE1 PHE 23 HE1 PHE 23 13.361 -17.861 -3.905 221 HE2 PHE 23 HE2 PHE 23 10.412 -15.985 -6.345 222 HZ PHE 23 HZ PHE 23 12.697 -16.855 -6.052 223 H GLY 24 H GLY 24 6.886 -19.867 -0.524 224 HA2 GLY 24 2HA GLY 24 5.061 -20.720 -2.201 225 HA3 GLY 24 3HA GLY 24 4.547 -19.818 -0.783 226 H TYR 25 H TYR 25 3.969 -17.629 -0.996 227 HA TYR 25 HA TYR 25 3.784 -16.576 -3.722 228 HB2 TYR 25 2HB TYR 25 1.618 -17.790 -2.621 229 HB3 TYR 25 3HB TYR 25 1.378 -16.137 -2.066 230 HD1 TYR 25 HD1 TYR 25 -0.566 -17.418 -3.844 231 HD2 TYR 25 HD2 TYR 25 2.986 -15.273 -4.786 232 HE1 TYR 25 HE1 TYR 25 -1.513 -16.823 -6.034 233 HE2 TYR 25 HE2 TYR 25 2.048 -14.671 -6.978 234 HH TYR 25 HH TYR 25 -1.275 -15.358 -7.807 235 H THR 26 H THR 26 5.648 -15.594 -2.197 236 HA THR 26 HA THR 26 5.089 -13.688 -0.270 237 HB THR 26 HB THR 26 7.379 -14.524 -1.057 238 HG1 THR 26 HG1 THR 26 6.737 -11.872 -0.332 239 HG21 THR 26 3HG2 THR 26 8.524 -13.134 -2.701 240 HG22 THR 26 1HG2 THR 26 7.048 -12.206 -2.966 241 HG23 THR 26 2HG2 THR 26 7.114 -13.908 -3.423 242 H LEU 27 H LEU 27 4.540 -13.574 -3.673 243 HA LEU 27 HA LEU 27 4.487 -10.766 -4.019 244 HB2 LEU 27 2HB LEU 27 2.727 -12.543 -5.631 245 HB3 LEU 27 3HB LEU 27 3.713 -11.175 -6.141 246 HG LEU 27 HG LEU 27 4.658 -13.971 -5.523 247 HD11 LEU 27 1HD1 LEU 27 5.030 -12.488 -8.091 248 HD12 LEU 27 2HD1 LEU 27 3.513 -13.321 -7.756 249 HD13 LEU 27 3HD1 LEU 27 5.026 -14.226 -7.790 250 HD21 LEU 27 3HD2 LEU 27 6.612 -12.188 -6.694 251 HD22 LEU 27 1HD2 LEU 27 6.744 -13.239 -5.283 252 HD23 LEU 27 2HD2 LEU 27 6.072 -11.617 -5.114 253 H ARG 28 H ARG 28 2.290 -12.989 -2.589 254 HA ARG 28 HA ARG 28 -0.179 -11.829 -2.957 255 HB2 ARG 28 2HB ARG 28 -0.880 -12.908 -0.950 256 HB3 ARG 28 3HB ARG 28 0.334 -13.944 -1.690 257 HG2 ARG 28 2HG ARG 28 1.984 -12.707 -0.120 258 HG3 ARG 28 3HG ARG 28 0.526 -12.268 0.773 259 HD2 ARG 28 2HD ARG 28 0.918 -15.114 -0.005 260 HD3 ARG 28 3HD ARG 28 1.876 -14.467 1.327 261 HE ARG 28 HE ARG 28 -0.955 -15.012 1.322 262 HH11 ARG 28 1HH1 ARG 28 1.642 -13.245 2.824 263 HH12 ARG 28 2HH1 ARG 28 0.808 -13.041 4.328 264 HH21 ARG 28 2HH2 ARG 28 -1.300 -13.899 4.598 265 HH22 ARG 28 1HH2 ARG 28 -2.063 -14.750 3.298 Start of MODEL 18 1 H1 LYS 1 H LYS 1 -0.390 -1.538 0.679 2 HA LYS 1 HA LYS 1 0.626 -1.063 -1.313 3 HB2 LYS 1 2HB LYS 1 2.554 0.620 -1.274 4 HB3 LYS 1 3HB LYS 1 0.964 1.206 -0.803 5 HG2 LYS 1 2HG LYS 1 1.579 1.026 1.546 6 HG3 LYS 1 3HG LYS 1 3.167 0.405 1.089 7 HD2 LYS 1 2HD LYS 1 3.790 2.467 0.102 8 HD3 LYS 1 3HD LYS 1 2.135 3.079 0.168 9 HE2 LYS 1 2HE LYS 1 2.225 3.419 2.469 10 HE3 LYS 1 3HE LYS 1 3.590 2.322 2.675 11 HZ1 LYS 1 3HZ LYS 1 4.235 4.507 0.959 12 HZ2 LYS 1 1HZ LYS 1 5.015 3.977 2.364 13 HZ3 LYS 1 2HZ LYS 1 3.711 5.048 2.474 14 H TYR 2 H TYR 2 1.282 -3.347 0.130 15 HA TYR 2 HA TYR 2 4.141 -3.673 -0.505 16 HB2 TYR 2 2HB TYR 2 3.455 -3.865 1.946 17 HB3 TYR 2 3HB TYR 2 2.622 -5.348 1.492 18 HD1 TYR 2 HD1 TYR 2 4.050 -7.156 0.304 19 HD2 TYR 2 HD2 TYR 2 5.703 -3.936 2.540 20 HE1 TYR 2 HE1 TYR 2 6.146 -8.417 0.559 21 HE2 TYR 2 HE2 TYR 2 7.804 -5.188 2.800 22 HH TYR 2 HH TYR 2 9.016 -6.970 1.846 23 H GLU 3 H GLU 3 0.915 -4.835 -0.932 24 HA GLU 3 HA GLU 3 1.133 -7.418 -1.723 25 HB2 GLU 3 2HB GLU 3 -0.508 -5.149 -2.778 26 HB3 GLU 3 3HB GLU 3 -0.568 -6.704 -3.596 27 HG2 GLU 3 2HG GLU 3 -1.259 -7.777 -1.515 28 HG3 GLU 3 3HG GLU 3 -1.197 -6.219 -0.693 29 H ILE 4 H ILE 4 1.039 -4.986 -4.299 30 HA ILE 4 HA ILE 4 3.359 -6.285 -5.554 31 HB ILE 4 HB ILE 4 1.252 -7.131 -6.583 32 HG12 ILE 4 2HG1 ILE 4 3.169 -5.485 -8.230 33 HG13 ILE 4 3HG1 ILE 4 3.197 -7.222 -7.943 34 HG21 ILE 4 1HG2 ILE 4 0.912 -4.300 -7.561 35 HG22 ILE 4 2HG2 ILE 4 -0.128 -5.680 -7.914 36 HG23 ILE 4 3HG2 ILE 4 -0.042 -5.037 -6.274 37 HD11 ILE 4 3HD1 ILE 4 2.428 -7.031 -10.118 38 HD12 ILE 4 1HD1 ILE 4 0.950 -7.250 -9.181 39 HD13 ILE 4 2HD1 ILE 4 1.410 -5.642 -9.742 40 H THR 5 H THR 5 1.346 -3.449 -5.169 41 HA THR 5 HA THR 5 2.319 -1.631 -6.917 42 HB THR 5 HB THR 5 0.654 -1.195 -5.067 43 HG1 THR 5 HG1 THR 5 0.955 0.761 -5.793 44 HG21 THR 5 3HG2 THR 5 3.161 -0.636 -3.478 45 HG22 THR 5 1HG2 THR 5 2.044 -1.971 -3.195 46 HG23 THR 5 2HG2 THR 5 1.508 -0.307 -2.959 47 H THR 6 H THR 6 4.002 -2.922 -4.124 48 HA THR 6 HA THR 6 6.400 -1.410 -4.939 49 HB THR 6 HB THR 6 5.253 -1.028 -2.572 50 HG1 THR 6 HG1 THR 6 8.051 -1.275 -3.060 51 HG21 THR 6 3HG2 THR 6 6.202 -2.393 -0.835 52 HG22 THR 6 1HG2 THR 6 7.160 -3.298 -2.005 53 HG23 THR 6 2HG2 THR 6 5.403 -3.453 -1.996 54 H ILE 7 H ILE 7 5.008 -4.480 -4.204 55 HA ILE 7 HA ILE 7 7.233 -6.029 -3.618 56 HB ILE 7 HB ILE 7 4.569 -6.548 -4.106 57 HG12 ILE 7 2HG1 ILE 7 5.142 -8.861 -3.457 58 HG13 ILE 7 3HG1 ILE 7 6.840 -8.521 -3.772 59 HG21 ILE 7 1HG2 ILE 7 5.016 -6.761 -6.504 60 HG22 ILE 7 2HG2 ILE 7 6.203 -8.020 -6.168 61 HG23 ILE 7 3HG2 ILE 7 4.500 -8.294 -5.801 62 HD11 ILE 7 3HD1 ILE 7 6.003 -6.532 -2.007 63 HD12 ILE 7 1HD1 ILE 7 5.285 -8.029 -1.414 64 HD13 ILE 7 2HD1 ILE 7 7.029 -7.921 -1.654 65 H HIS 8 H HIS 8 6.021 -4.924 -6.738 66 HA HIS 8 HA HIS 8 7.498 -6.460 -8.479 67 HB2 HIS 8 2HB HIS 8 7.269 -4.671 -10.088 68 HB3 HIS 8 3HB HIS 8 5.791 -4.769 -9.136 69 HD1 HIS 8 HD1 HIS 8 7.224 -3.170 -6.678 70 HD2 HIS 8 HD2 HIS 8 6.797 -1.952 -10.627 71 HE1 HIS 8 HE1 HIS 8 7.372 -0.660 -6.627 72 H ASN 9 H ASN 9 8.598 -4.000 -6.316 73 HA ASN 9 HA ASN 9 11.081 -3.470 -7.626 74 HB2 ASN 9 2HB ASN 9 9.860 -1.984 -5.925 75 HB3 ASN 9 3HB ASN 9 10.535 -3.045 -4.692 76 HD21 ASN 9 2HD2 ASN 9 12.925 -0.459 -6.750 77 HD22 ASN 9 1HD2 ASN 9 11.363 -0.893 -7.347 78 H LEU 10 H LEU 10 9.994 -5.702 -5.142 79 HA LEU 10 HA LEU 10 12.674 -6.646 -4.593 80 HB2 LEU 10 2HB LEU 10 11.558 -6.924 -2.665 81 HB3 LEU 10 3HB LEU 10 9.993 -7.023 -3.469 82 HG LEU 10 HG LEU 10 11.856 -9.351 -3.616 83 HD11 LEU 10 1HD1 LEU 10 10.868 -8.236 -1.169 84 HD12 LEU 10 2HD1 LEU 10 11.869 -9.665 -1.422 85 HD13 LEU 10 3HD1 LEU 10 10.111 -9.801 -1.465 86 HD21 LEU 10 3HD2 LEU 10 8.964 -8.791 -3.944 87 HD22 LEU 10 1HD2 LEU 10 9.418 -10.365 -3.290 88 HD23 LEU 10 2HD2 LEU 10 10.027 -9.856 -4.865 89 H PHE 11 H PHE 11 10.110 -7.389 -6.744 90 HA PHE 11 HA PHE 11 10.082 -9.990 -7.285 91 HB2 PHE 11 2HB PHE 11 10.099 -7.606 -9.029 92 HB3 PHE 11 3HB PHE 11 10.452 -9.131 -9.835 93 HD1 PHE 11 HD1 PHE 11 8.331 -9.273 -6.919 94 HD2 PHE 11 HD2 PHE 11 8.376 -8.771 -11.145 95 HE1 PHE 11 HE1 PHE 11 5.925 -9.781 -7.001 96 HE2 PHE 11 HE2 PHE 11 5.970 -9.277 -11.234 97 HZ PHE 11 HZ PHE 11 4.741 -9.783 -9.161 98 H ARG 12 H ARG 12 11.633 -11.468 -7.162 99 HA ARG 12 HA ARG 12 14.381 -10.861 -7.725 100 HB2 ARG 12 2HB ARG 12 14.560 -12.510 -6.222 101 HB3 ARG 12 3HB ARG 12 12.889 -13.003 -6.468 102 HG2 ARG 12 2HG ARG 12 13.493 -14.430 -8.274 103 HG3 ARG 12 3HG ARG 12 15.140 -13.794 -8.298 104 HD2 ARG 12 2HD ARG 12 14.376 -14.825 -5.690 105 HD3 ARG 12 3HD ARG 12 14.269 -16.047 -6.956 106 HE ARG 12 HE ARG 12 16.706 -14.762 -7.273 107 HH11 ARG 12 1HH1 ARG 12 15.105 -16.719 -4.881 108 HH12 ARG 12 2HH1 ARG 12 16.574 -17.396 -4.262 109 HH21 ARG 12 2HH2 ARG 12 18.589 -16.785 -5.164 110 HH22 ARG 12 1HH2 ARG 12 18.648 -15.647 -6.467 111 H LYS 13 H LYS 13 11.945 -12.997 -9.200 112 HA LYS 13 HA LYS 13 13.676 -13.465 -11.488 113 HB2 LYS 13 2HB LYS 13 12.135 -15.202 -10.344 114 HB3 LYS 13 3HB LYS 13 10.836 -14.419 -11.233 115 HG2 LYS 13 2HG LYS 13 11.820 -16.458 -12.312 116 HG3 LYS 13 3HG LYS 13 11.779 -15.009 -13.319 117 HD2 LYS 13 2HD LYS 13 14.070 -14.698 -13.190 118 HD3 LYS 13 3HD LYS 13 14.215 -15.632 -11.699 119 HE2 LYS 13 2HE LYS 13 13.331 -17.563 -13.312 120 HE3 LYS 13 3HE LYS 13 14.110 -16.542 -14.520 121 HZ1 LYS 13 3HZ LYS 13 15.407 -17.634 -12.081 122 HZ2 LYS 13 1HZ LYS 13 16.155 -16.648 -13.234 123 HZ3 LYS 13 2HZ LYS 13 15.634 -18.200 -13.659 124 H LEU 14 H LEU 14 10.673 -13.653 -12.706 125 HA LEU 14 HA LEU 14 10.893 -11.012 -13.962 126 HB2 LEU 14 2HB LEU 14 10.893 -12.680 -15.601 127 HB3 LEU 14 3HB LEU 14 9.624 -13.598 -14.792 128 HG LEU 14 HG LEU 14 8.516 -11.093 -15.489 129 HD11 LEU 14 1HD1 LEU 14 9.158 -10.579 -17.575 130 HD12 LEU 14 2HD1 LEU 14 9.348 -12.268 -18.045 131 HD13 LEU 14 3HD1 LEU 14 10.630 -11.453 -17.150 132 HD21 LEU 14 3HD2 LEU 14 7.765 -13.694 -15.453 133 HD22 LEU 14 1HD2 LEU 14 7.922 -13.417 -17.187 134 HD23 LEU 14 2HD2 LEU 14 6.844 -12.404 -16.227 135 H THR 15 H THR 15 8.008 -13.019 -13.707 136 HA THR 15 HA THR 15 6.716 -10.880 -12.146 137 HB THR 15 HB THR 15 5.715 -12.300 -14.594 138 HG1 THR 15 HG1 THR 15 5.996 -9.628 -13.707 139 HG21 THR 15 3HG2 THR 15 3.951 -10.830 -12.637 140 HG22 THR 15 1HG2 THR 15 4.044 -12.587 -12.750 141 HG23 THR 15 2HG2 THR 15 3.457 -11.645 -14.121 142 H HIS 16 H HIS 16 5.997 -14.186 -13.288 143 HA HIS 16 HA HIS 16 5.433 -14.940 -10.504 144 HB2 HIS 16 2HB HIS 16 3.478 -16.234 -11.246 145 HB3 HIS 16 3HB HIS 16 3.285 -14.520 -11.599 146 HD1 HIS 16 HD1 HIS 16 4.282 -14.005 -14.236 147 HD2 HIS 16 HD2 HIS 16 2.643 -17.714 -13.332 148 HE1 HIS 16 HE1 HIS 16 3.625 -15.007 -16.447 149 H ARG 17 H ARG 17 7.579 -15.385 -12.680 150 HA ARG 17 HA ARG 17 7.678 -17.947 -13.619 151 HB2 ARG 17 2HB ARG 17 9.672 -15.940 -12.831 152 HB3 ARG 17 3HB ARG 17 10.265 -17.594 -12.782 153 HG2 ARG 17 2HG ARG 17 10.675 -16.442 -14.934 154 HG3 ARG 17 3HG ARG 17 9.728 -17.923 -15.091 155 HD2 ARG 17 2HD ARG 17 8.122 -15.510 -14.684 156 HD3 ARG 17 3HD ARG 17 9.069 -15.500 -16.171 157 HE ARG 17 HE ARG 17 6.785 -17.132 -15.587 158 HH11 ARG 17 1HH1 ARG 17 9.716 -16.901 -17.452 159 HH12 ARG 17 2HH1 ARG 17 9.161 -17.968 -18.699 160 HH21 ARG 17 2HH2 ARG 17 7.071 -18.898 -18.568 161 HH22 ARG 17 1HH2 ARG 17 6.043 -18.539 -17.222 162 H LEU 18 H LEU 18 9.736 -17.291 -10.833 163 HA LEU 18 HA LEU 18 8.629 -19.681 -9.516 164 HB2 LEU 18 2HB LEU 18 10.806 -20.367 -8.847 165 HB3 LEU 18 3HB LEU 18 10.837 -20.089 -10.587 166 HG LEU 18 HG LEU 18 11.675 -17.779 -8.990 167 HD11 LEU 18 1HD1 LEU 18 13.950 -18.826 -8.614 168 HD12 LEU 18 2HD1 LEU 18 13.161 -20.386 -8.841 169 HD13 LEU 18 3HD1 LEU 18 12.663 -19.330 -7.519 170 HD21 LEU 18 3HD2 LEU 18 13.350 -19.117 -11.046 171 HD22 LEU 18 1HD2 LEU 18 13.053 -17.402 -10.767 172 HD23 LEU 18 2HD2 LEU 18 11.827 -18.391 -11.560 173 H PHE 19 H PHE 19 7.642 -17.219 -8.903 174 HA PHE 19 HA PHE 19 9.053 -16.103 -6.646 175 HB2 PHE 19 2HB PHE 19 6.313 -15.519 -7.785 176 HB3 PHE 19 3HB PHE 19 7.053 -14.623 -6.462 177 HD1 PHE 19 HD1 PHE 19 7.324 -15.433 -10.049 178 HD2 PHE 19 HD2 PHE 19 8.668 -12.946 -6.866 179 HE1 PHE 19 HE1 PHE 19 8.425 -13.952 -11.676 180 HE2 PHE 19 HE2 PHE 19 9.770 -11.461 -8.488 181 HZ PHE 19 HZ PHE 19 9.649 -11.962 -10.896 182 H ARG 20 H ARG 20 7.309 -18.837 -7.021 183 HA ARG 20 HA ARG 20 6.435 -18.800 -4.211 184 HB2 ARG 20 2HB ARG 20 4.444 -19.985 -4.724 185 HB3 ARG 20 3HB ARG 20 4.527 -18.651 -5.867 186 HG2 ARG 20 2HG ARG 20 5.832 -20.805 -7.098 187 HG3 ARG 20 3HG ARG 20 4.367 -21.464 -6.368 188 HD2 ARG 20 2HD ARG 20 4.475 -19.054 -8.177 189 HD3 ARG 20 3HD ARG 20 4.020 -20.680 -8.683 190 HE ARG 20 HE ARG 20 2.399 -18.795 -7.245 191 HH11 ARG 20 1HH1 ARG 20 2.942 -22.166 -7.924 192 HH12 ARG 20 2HH1 ARG 20 1.312 -22.635 -7.570 193 HH21 ARG 20 2HH2 ARG 20 -0.219 -21.060 -6.918 194 HH22 ARG 20 1HH2 ARG 20 0.250 -19.399 -6.776 195 H ARG 21 H ARG 21 8.867 -19.802 -5.652 196 HA ARG 21 HA ARG 21 8.635 -22.662 -4.994 197 HB2 ARG 21 2HB ARG 21 10.708 -21.316 -6.733 198 HB3 ARG 21 3HB ARG 21 10.524 -23.045 -6.472 199 HG2 ARG 21 2HG ARG 21 8.529 -21.246 -7.834 200 HG3 ARG 21 3HG ARG 21 9.633 -22.368 -8.632 201 HD2 ARG 21 2HD ARG 21 8.433 -24.033 -6.883 202 HD3 ARG 21 3HD ARG 21 7.127 -22.884 -7.167 203 HE ARG 21 HE ARG 21 8.082 -24.867 -8.975 204 HH11 ARG 21 1HH1 ARG 21 6.704 -21.674 -8.804 205 HH12 ARG 21 2HH1 ARG 21 5.989 -21.757 -10.380 206 HH21 ARG 21 2HH2 ARG 21 6.241 -23.642 -11.657 207 HH22 ARG 21 1HH2 ARG 21 7.146 -24.987 -11.051 208 H ASN 22 H ASN 22 10.873 -19.902 -4.805 209 HA ASN 22 HA ASN 22 12.275 -21.248 -2.606 210 HB2 ASN 22 2HB ASN 22 13.043 -19.140 -4.581 211 HB3 ASN 22 3HB ASN 22 13.854 -19.165 -3.017 212 HD21 ASN 22 2HD2 ASN 22 15.585 -22.179 -3.611 213 HD22 ASN 22 1HD2 ASN 22 14.899 -21.172 -2.386 214 H PHE 23 H PHE 23 10.381 -18.429 -3.410 215 HA PHE 23 HA PHE 23 10.483 -17.609 -0.581 216 HB2 PHE 23 2HB PHE 23 9.628 -15.364 -1.897 217 HB3 PHE 23 3HB PHE 23 11.289 -15.669 -1.399 218 HD1 PHE 23 HD1 PHE 23 9.480 -14.468 -3.992 219 HD2 PHE 23 HD2 PHE 23 12.452 -17.417 -3.223 220 HE1 PHE 23 HE1 PHE 23 10.201 -14.350 -6.342 221 HE2 PHE 23 HE2 PHE 23 13.178 -17.303 -5.571 222 HZ PHE 23 HZ PHE 23 12.052 -15.768 -7.134 223 H GLY 24 H GLY 24 8.623 -17.794 0.475 224 HA2 GLY 24 2HA GLY 24 6.289 -18.835 -0.519 225 HA3 GLY 24 3HA GLY 24 6.365 -17.823 0.915 226 H TYR 25 H TYR 25 5.775 -17.887 -2.531 227 HA TYR 25 HA TYR 25 5.475 -15.587 -3.599 228 HB2 TYR 25 2HB TYR 25 4.114 -17.690 -4.165 229 HB3 TYR 25 3HB TYR 25 2.860 -17.010 -3.134 230 HD1 TYR 25 HD1 TYR 25 1.660 -14.988 -3.802 231 HD2 TYR 25 HD2 TYR 25 4.616 -16.722 -6.323 232 HE1 TYR 25 HE1 TYR 25 0.832 -13.644 -5.687 233 HE2 TYR 25 HE2 TYR 25 3.797 -15.382 -8.215 234 HH TYR 25 HH TYR 25 1.869 -14.194 -8.931 235 H THR 26 H THR 26 5.795 -13.908 -2.098 236 HA THR 26 HA THR 26 3.685 -13.286 -0.204 237 HB THR 26 HB THR 26 6.196 -12.957 0.228 238 HG1 THR 26 HG1 THR 26 5.072 -12.010 1.779 239 HG21 THR 26 3HG2 THR 26 5.754 -10.319 -1.139 240 HG22 THR 26 1HG2 THR 26 6.448 -11.694 -1.996 241 HG23 THR 26 2HG2 THR 26 7.266 -11.034 -0.580 242 H LEU 27 H LEU 27 4.354 -12.639 -3.438 243 HA LEU 27 HA LEU 27 3.561 -9.988 -3.768 244 HB2 LEU 27 2HB LEU 27 2.704 -11.967 -5.800 245 HB3 LEU 27 3HB LEU 27 3.518 -10.418 -6.004 246 HG LEU 27 HG LEU 27 4.765 -13.046 -5.214 247 HD11 LEU 27 1HD1 LEU 27 4.828 -13.241 -7.443 248 HD12 LEU 27 2HD1 LEU 27 6.132 -12.058 -7.349 249 HD13 LEU 27 3HD1 LEU 27 4.487 -11.530 -7.703 250 HD21 LEU 27 3HD2 LEU 27 6.115 -11.689 -3.997 251 HD22 LEU 27 1HD2 LEU 27 5.722 -10.257 -4.949 252 HD23 LEU 27 2HD2 LEU 27 6.868 -11.444 -5.574 253 H ARG 28 H ARG 28 1.728 -12.736 -2.874 254 HA ARG 28 HA ARG 28 -0.810 -11.994 -3.846 255 HB2 ARG 28 2HB ARG 28 0.281 -13.957 -1.985 256 HB3 ARG 28 3HB ARG 28 -1.295 -13.359 -1.484 257 HG2 ARG 28 2HG ARG 28 -2.372 -14.355 -3.200 258 HG3 ARG 28 3HG ARG 28 -1.030 -14.120 -4.322 259 HD2 ARG 28 2HD ARG 28 -0.232 -16.162 -3.925 260 HD3 ARG 28 3HD ARG 28 -0.324 -15.930 -2.179 261 HE ARG 28 HE ARG 28 -2.909 -16.382 -3.125 262 HH11 ARG 28 1HH1 ARG 28 0.117 -18.076 -2.825 263 HH12 ARG 28 2HH1 ARG 28 -0.622 -19.637 -2.679 264 HH21 ARG 28 2HH2 ARG 28 -2.903 -19.837 -2.741 265 HH22 ARG 28 1HH2 ARG 28 -3.894 -18.430 -2.933 Start of MODEL 19 1 H1 LYS 1 H LYS 1 4.103 -0.504 1.922 2 HA LYS 1 HA LYS 1 1.944 -0.838 0.372 3 HB2 LYS 1 2HB LYS 1 3.933 0.679 -1.320 4 HB3 LYS 1 3HB LYS 1 2.343 0.102 -1.804 5 HG2 LYS 1 2HG LYS 1 2.817 2.186 0.316 6 HG3 LYS 1 3HG LYS 1 2.448 2.540 -1.374 7 HD2 LYS 1 2HD LYS 1 0.548 0.656 -0.355 8 HD3 LYS 1 3HD LYS 1 0.641 2.043 0.733 9 HE2 LYS 1 2HE LYS 1 -0.907 2.834 -0.741 10 HE3 LYS 1 3HE LYS 1 0.560 3.373 -1.556 11 HZ1 LYS 1 3HZ LYS 1 -1.405 1.824 -2.640 12 HZ2 LYS 1 1HZ LYS 1 -0.177 0.712 -2.295 13 HZ3 LYS 1 2HZ LYS 1 0.146 2.051 -3.277 14 H TYR 2 H TYR 2 2.139 -2.924 -0.069 15 HA TYR 2 HA TYR 2 4.740 -3.924 -1.028 16 HB2 TYR 2 2HB TYR 2 3.993 -4.600 1.345 17 HB3 TYR 2 3HB TYR 2 2.796 -5.606 0.538 18 HD1 TYR 2 HD1 TYR 2 6.257 -5.278 1.504 19 HD2 TYR 2 HD2 TYR 2 3.570 -7.439 -0.988 20 HE1 TYR 2 HE1 TYR 2 7.937 -7.056 1.245 21 HE2 TYR 2 HE2 TYR 2 5.242 -9.223 -1.253 22 HH TYR 2 HH TYR 2 7.551 -9.866 0.559 23 H GLU 3 H GLU 3 1.521 -3.448 -1.755 24 HA GLU 3 HA GLU 3 0.602 -5.656 -3.066 25 HB2 GLU 3 2HB GLU 3 0.372 -2.740 -3.777 26 HB3 GLU 3 3HB GLU 3 -0.445 -3.986 -4.710 27 HG2 GLU 3 2HG GLU 3 -0.804 -3.765 -1.745 28 HG3 GLU 3 3HG GLU 3 -1.758 -2.799 -2.869 29 H ILE 4 H ILE 4 1.671 -3.110 -5.225 30 HA ILE 4 HA ILE 4 3.552 -4.956 -6.514 31 HB ILE 4 HB ILE 4 1.404 -5.121 -7.720 32 HG12 ILE 4 2HG1 ILE 4 3.798 -3.901 -9.066 33 HG13 ILE 4 3HG1 ILE 4 3.258 -5.576 -9.082 34 HG21 ILE 4 1HG2 ILE 4 1.796 -2.230 -8.460 35 HG22 ILE 4 2HG2 ILE 4 0.433 -3.274 -8.857 36 HG23 ILE 4 3HG2 ILE 4 0.699 -2.770 -7.189 37 HD11 ILE 4 3HD1 ILE 4 2.293 -3.257 -10.676 38 HD12 ILE 4 1HD1 ILE 4 2.707 -4.890 -11.195 39 HD13 ILE 4 2HD1 ILE 4 1.195 -4.595 -10.336 40 H THR 5 H THR 5 2.346 -1.668 -6.143 41 HA THR 5 HA THR 5 4.051 -0.188 -7.663 42 HB THR 5 HB THR 5 2.242 0.661 -6.082 43 HG1 THR 5 HG1 THR 5 3.089 2.603 -6.384 44 HG21 THR 5 3HG2 THR 5 3.392 -0.446 -4.073 45 HG22 THR 5 1HG2 THR 5 2.764 1.187 -3.855 46 HG23 THR 5 2HG2 THR 5 4.491 0.933 -4.107 47 H THR 6 H THR 6 4.815 -1.940 -4.741 48 HA THR 6 HA THR 6 7.617 -1.055 -4.994 49 HB THR 6 HB THR 6 5.905 -1.395 -2.596 50 HG1 THR 6 HG1 THR 6 6.795 0.499 -2.153 51 HG21 THR 6 3HG2 THR 6 8.811 -2.203 -2.666 52 HG22 THR 6 1HG2 THR 6 7.436 -3.190 -2.173 53 HG23 THR 6 2HG2 THR 6 7.933 -1.815 -1.187 54 H ILE 7 H ILE 7 5.407 -3.701 -4.762 55 HA ILE 7 HA ILE 7 6.988 -5.803 -3.947 56 HB ILE 7 HB ILE 7 4.472 -5.603 -4.987 57 HG12 ILE 7 2HG1 ILE 7 4.959 -7.253 -3.377 58 HG13 ILE 7 3HG1 ILE 7 4.505 -8.165 -4.812 59 HG21 ILE 7 1HG2 ILE 7 5.276 -5.640 -7.278 60 HG22 ILE 7 2HG2 ILE 7 6.130 -7.151 -6.973 61 HG23 ILE 7 3HG2 ILE 7 4.367 -7.109 -6.923 62 HD11 ILE 7 3HD1 ILE 7 7.125 -8.073 -5.218 63 HD12 ILE 7 1HD1 ILE 7 7.122 -7.926 -3.461 64 HD13 ILE 7 2HD1 ILE 7 6.360 -9.318 -4.231 65 H HIS 8 H HIS 8 6.730 -4.408 -7.198 66 HA HIS 8 HA HIS 8 8.287 -6.180 -8.622 67 HB2 HIS 8 2HB HIS 8 8.631 -4.439 -10.223 68 HB3 HIS 8 3HB HIS 8 7.029 -4.194 -9.533 69 HD1 HIS 8 HD1 HIS 8 8.059 -2.757 -6.903 70 HD2 HIS 8 HD2 HIS 8 9.119 -1.785 -10.801 71 HE1 HIS 8 HE1 HIS 8 8.792 -0.353 -6.821 72 H ASN 9 H ASN 9 9.266 -3.813 -6.276 73 HA ASN 9 HA ASN 9 12.027 -3.749 -6.991 74 HB2 ASN 9 2HB ASN 9 10.390 -2.296 -5.286 75 HB3 ASN 9 3HB ASN 9 11.463 -3.161 -4.189 76 HD21 ASN 9 2HD2 ASN 9 14.415 -1.561 -5.414 77 HD22 ASN 9 1HD2 ASN 9 13.822 -3.098 -4.894 78 H LEU 10 H LEU 10 10.061 -5.728 -4.877 79 HA LEU 10 HA LEU 10 12.415 -7.088 -3.814 80 HB2 LEU 10 2HB LEU 10 10.920 -6.769 -2.096 81 HB3 LEU 10 3HB LEU 10 9.516 -7.021 -3.131 82 HG LEU 10 HG LEU 10 11.217 -9.390 -2.706 83 HD11 LEU 10 1HD1 LEU 10 10.005 -9.759 -0.481 84 HD12 LEU 10 2HD1 LEU 10 9.778 -8.010 -0.466 85 HD13 LEU 10 3HD1 LEU 10 11.407 -8.688 -0.489 86 HD21 LEU 10 3HD2 LEU 10 8.987 -9.221 -3.933 87 HD22 LEU 10 1HD2 LEU 10 8.254 -9.075 -2.335 88 HD23 LEU 10 2HD2 LEU 10 9.165 -10.525 -2.758 89 H PHE 11 H PHE 11 9.968 -7.470 -6.205 90 HA PHE 11 HA PHE 11 9.594 -10.125 -6.542 91 HB2 PHE 11 2HB PHE 11 9.892 -7.865 -8.443 92 HB3 PHE 11 3HB PHE 11 9.969 -9.486 -9.126 93 HD1 PHE 11 HD1 PHE 11 8.002 -9.893 -6.364 94 HD2 PHE 11 HD2 PHE 11 7.889 -8.063 -10.205 95 HE1 PHE 11 HE1 PHE 11 5.545 -10.015 -6.346 96 HE2 PHE 11 HE2 PHE 11 5.431 -8.181 -10.193 97 HZ PHE 11 HZ PHE 11 4.256 -9.157 -8.261 98 H ARG 12 H ARG 12 10.919 -11.805 -6.521 99 HA ARG 12 HA ARG 12 13.715 -11.626 -6.737 100 HB2 ARG 12 2HB ARG 12 13.080 -13.496 -5.562 101 HB3 ARG 12 3HB ARG 12 11.732 -13.846 -6.637 102 HG2 ARG 12 2HG ARG 12 13.534 -15.522 -6.756 103 HG3 ARG 12 3HG ARG 12 13.222 -14.730 -8.303 104 HD2 ARG 12 2HD ARG 12 15.328 -14.035 -8.420 105 HD3 ARG 12 3HD ARG 12 15.194 -13.252 -6.846 106 HE ARG 12 HE ARG 12 15.583 -16.082 -6.654 107 HH11 ARG 12 1HH1 ARG 12 17.188 -13.021 -7.069 108 HH12 ARG 12 2HH1 ARG 12 18.699 -13.579 -6.433 109 HH21 ARG 12 2HH2 ARG 12 18.914 -15.746 -5.720 110 HH22 ARG 12 1HH2 ARG 12 17.567 -16.829 -5.814 111 H LYS 13 H LYS 13 11.556 -13.407 -8.949 112 HA LYS 13 HA LYS 13 13.521 -13.163 -11.071 113 HB2 LYS 13 2HB LYS 13 12.414 -15.307 -10.772 114 HB3 LYS 13 3HB LYS 13 10.838 -14.553 -10.970 115 HG2 LYS 13 2HG LYS 13 11.992 -15.828 -12.947 116 HG3 LYS 13 3HG LYS 13 11.054 -14.360 -13.232 117 HD2 LYS 13 2HD LYS 13 12.950 -13.063 -13.565 118 HD3 LYS 13 3HD LYS 13 13.996 -14.193 -12.702 119 HE2 LYS 13 2HE LYS 13 13.548 -15.832 -14.575 120 HE3 LYS 13 3HE LYS 13 12.804 -14.495 -15.450 121 HZ1 LYS 13 3HZ LYS 13 15.153 -14.852 -16.034 122 HZ2 LYS 13 1HZ LYS 13 15.596 -14.494 -14.441 123 HZ3 LYS 13 2HZ LYS 13 14.871 -13.308 -15.404 124 H LEU 14 H LEU 14 10.176 -13.177 -11.932 125 HA LEU 14 HA LEU 14 10.460 -10.440 -12.984 126 HB2 LEU 14 2HB LEU 14 10.312 -11.885 -14.826 127 HB3 LEU 14 3HB LEU 14 9.060 -12.863 -14.064 128 HG LEU 14 HG LEU 14 8.003 -10.262 -14.348 129 HD11 LEU 14 1HD1 LEU 14 9.774 -11.065 -16.570 130 HD12 LEU 14 2HD1 LEU 14 9.259 -9.462 -16.047 131 HD13 LEU 14 3HD1 LEU 14 8.176 -10.465 -17.013 132 HD21 LEU 14 3HD2 LEU 14 7.182 -12.833 -14.646 133 HD22 LEU 14 1HD2 LEU 14 7.228 -12.288 -16.323 134 HD23 LEU 14 2HD2 LEU 14 6.250 -11.419 -15.140 135 H THR 15 H THR 15 7.547 -12.410 -12.822 136 HA THR 15 HA THR 15 6.427 -10.522 -10.858 137 HB THR 15 HB THR 15 5.222 -11.475 -13.440 138 HG1 THR 15 HG1 THR 15 4.572 -9.096 -13.217 139 HG21 THR 15 3HG2 THR 15 3.559 -10.135 -11.341 140 HG22 THR 15 1HG2 THR 15 3.733 -11.889 -11.347 141 HG23 THR 15 2HG2 THR 15 3.045 -11.066 -12.747 142 H HIS 16 H HIS 16 5.502 -13.554 -12.502 143 HA HIS 16 HA HIS 16 5.044 -14.750 -9.855 144 HB2 HIS 16 2HB HIS 16 3.105 -15.999 -11.051 145 HB3 HIS 16 3HB HIS 16 2.841 -14.346 -10.503 146 HD1 HIS 16 HD1 HIS 16 4.648 -15.274 -13.686 147 HD2 HIS 16 HD2 HIS 16 1.058 -13.588 -12.450 148 HE1 HIS 16 HE1 HIS 16 3.551 -14.418 -15.781 149 H ARG 17 H ARG 17 7.022 -14.868 -12.285 150 HA ARG 17 HA ARG 17 7.012 -17.285 -13.547 151 HB2 ARG 17 2HB ARG 17 8.723 -15.522 -13.868 152 HB3 ARG 17 3HB ARG 17 9.446 -15.970 -12.329 153 HG2 ARG 17 2HG ARG 17 10.786 -17.217 -13.628 154 HG3 ARG 17 3HG ARG 17 9.444 -18.362 -13.563 155 HD2 ARG 17 2HD ARG 17 9.042 -18.143 -15.744 156 HD3 ARG 17 3HD ARG 17 9.066 -16.383 -15.641 157 HE ARG 17 HE ARG 17 11.194 -16.416 -16.460 158 HH11 ARG 17 1HH1 ARG 17 10.433 -19.573 -15.204 159 HH12 ARG 17 2HH1 ARG 17 11.903 -20.295 -15.767 160 HH21 ARG 17 2HH2 ARG 17 13.440 -19.033 -16.905 161 HH22 ARG 17 1HH2 ARG 17 13.134 -17.356 -17.206 162 H LEU 18 H LEU 18 9.219 -16.927 -10.801 163 HA LEU 18 HA LEU 18 8.275 -19.524 -9.785 164 HB2 LEU 18 2HB LEU 18 10.569 -20.099 -9.212 165 HB3 LEU 18 3HB LEU 18 10.387 -19.829 -10.944 166 HG LEU 18 HG LEU 18 11.330 -17.542 -9.308 167 HD11 LEU 18 1HD1 LEU 18 12.561 -19.534 -8.435 168 HD12 LEU 18 2HD1 LEU 18 13.581 -18.313 -9.194 169 HD13 LEU 18 3HD1 LEU 18 13.180 -19.793 -10.066 170 HD21 LEU 18 3HD2 LEU 18 11.056 -17.197 -11.648 171 HD22 LEU 18 1HD2 LEU 18 11.949 -18.669 -12.031 172 HD23 LEU 18 2HD2 LEU 18 12.789 -17.287 -11.329 173 H PHE 19 H PHE 19 7.106 -17.453 -8.689 174 HA PHE 19 HA PHE 19 8.636 -16.600 -6.349 175 HB2 PHE 19 2HB PHE 19 5.907 -15.747 -7.339 176 HB3 PHE 19 3HB PHE 19 6.732 -15.072 -5.938 177 HD1 PHE 19 HD1 PHE 19 8.265 -13.327 -6.176 178 HD2 PHE 19 HD2 PHE 19 6.990 -15.496 -9.609 179 HE1 PHE 19 HE1 PHE 19 9.381 -11.682 -7.626 180 HE2 PHE 19 HE2 PHE 19 8.105 -13.855 -11.064 181 HZ PHE 19 HZ PHE 19 9.303 -11.945 -10.073 182 H ARG 20 H ARG 20 6.749 -19.151 -7.179 183 HA ARG 20 HA ARG 20 5.897 -19.557 -4.391 184 HB2 ARG 20 2HB ARG 20 3.877 -20.676 -5.164 185 HB3 ARG 20 3HB ARG 20 3.938 -19.031 -5.783 186 HG2 ARG 20 2HG ARG 20 3.494 -19.908 -7.773 187 HG3 ARG 20 3HG ARG 20 5.156 -20.502 -7.768 188 HD2 ARG 20 2HD ARG 20 4.310 -22.556 -7.916 189 HD3 ARG 20 3HD ARG 20 3.761 -22.358 -6.253 190 HE ARG 20 HE ARG 20 1.617 -22.205 -7.026 191 HH11 ARG 20 1HH1 ARG 20 3.811 -21.649 -9.671 192 HH12 ARG 20 2HH1 ARG 20 2.563 -21.623 -10.872 193 HH21 ARG 20 2HH2 ARG 20 0.376 -21.920 -10.261 194 HH22 ARG 20 1HH2 ARG 20 -0.035 -22.173 -8.598 195 H ARG 21 H ARG 21 8.280 -20.420 -5.930 196 HA ARG 21 HA ARG 21 7.869 -23.332 -5.923 197 HB2 ARG 21 2HB ARG 21 10.110 -21.722 -7.161 198 HB3 ARG 21 3HB ARG 21 9.915 -23.467 -7.268 199 HG2 ARG 21 2HG ARG 21 7.838 -23.169 -8.508 200 HG3 ARG 21 3HG ARG 21 8.014 -21.417 -8.387 201 HD2 ARG 21 2HD ARG 21 9.006 -21.633 -10.397 202 HD3 ARG 21 3HD ARG 21 10.412 -22.082 -9.434 203 HE ARG 21 HE ARG 21 8.808 -24.350 -10.013 204 HH11 ARG 21 1HH1 ARG 21 11.114 -22.160 -11.430 205 HH12 ARG 21 2HH1 ARG 21 11.691 -23.311 -12.589 206 HH21 ARG 21 2HH2 ARG 21 10.805 -25.423 -12.649 207 HH22 ARG 21 1HH2 ARG 21 9.559 -25.874 -11.535 208 H ASN 22 H ASN 22 10.040 -20.775 -4.786 209 HA ASN 22 HA ASN 22 11.076 -22.666 -2.775 210 HB2 ASN 22 2HB ASN 22 12.458 -20.655 -4.477 211 HB3 ASN 22 3HB ASN 22 13.033 -20.838 -2.823 212 HD21 ASN 22 2HD2 ASN 22 15.128 -23.318 -4.051 213 HD22 ASN 22 1HD2 ASN 22 14.976 -21.737 -3.371 214 H PHE 23 H PHE 23 9.686 -19.568 -3.425 215 HA PHE 23 HA PHE 23 9.863 -18.879 -0.566 216 HB2 PHE 23 2HB PHE 23 8.985 -16.636 -2.065 217 HB3 PHE 23 3HB PHE 23 10.514 -16.843 -1.217 218 HD1 PHE 23 HD1 PHE 23 12.023 -18.711 -2.694 219 HD2 PHE 23 HD2 PHE 23 9.316 -15.771 -4.157 220 HE1 PHE 23 HE1 PHE 23 13.220 -18.684 -4.843 221 HE2 PHE 23 HE2 PHE 23 10.507 -15.740 -6.309 222 HZ PHE 23 HZ PHE 23 12.462 -17.198 -6.655 223 H GLY 24 H GLY 24 8.048 -19.023 0.569 224 HA2 GLY 24 2HA GLY 24 5.632 -19.948 -0.310 225 HA3 GLY 24 3HA GLY 24 5.810 -18.931 1.112 226 H TYR 25 H TYR 25 5.123 -18.968 -2.325 227 HA TYR 25 HA TYR 25 4.850 -16.667 -3.381 228 HB2 TYR 25 2HB TYR 25 3.379 -18.749 -3.846 229 HB3 TYR 25 3HB TYR 25 2.183 -17.944 -2.837 230 HD1 TYR 25 HD1 TYR 25 4.539 -16.655 -5.437 231 HD2 TYR 25 HD2 TYR 25 0.498 -17.130 -4.192 232 HE1 TYR 25 HE1 TYR 25 3.793 -15.343 -7.379 233 HE2 TYR 25 HE2 TYR 25 -0.259 -15.820 -6.131 234 HH TYR 25 HH TYR 25 0.906 -13.947 -7.654 235 H THR 26 H THR 26 5.305 -15.034 -1.838 236 HA THR 26 HA THR 26 3.550 -14.354 0.278 237 HB THR 26 HB THR 26 5.880 -13.620 0.283 238 HG1 THR 26 HG1 THR 26 4.285 -11.283 0.090 239 HG21 THR 26 3HG2 THR 26 5.150 -11.682 -1.906 240 HG22 THR 26 1HG2 THR 26 5.969 -13.214 -2.208 241 HG23 THR 26 2HG2 THR 26 6.742 -11.981 -1.211 242 H LEU 27 H LEU 27 3.458 -13.774 -3.104 243 HA LEU 27 HA LEU 27 1.766 -11.448 -2.970 244 HB2 LEU 27 2HB LEU 27 1.949 -13.134 -5.414 245 HB3 LEU 27 3HB LEU 27 1.887 -11.380 -5.259 246 HG LEU 27 HG LEU 27 4.289 -13.111 -4.673 247 HD11 LEU 27 1HD1 LEU 27 3.994 -11.139 -6.913 248 HD12 LEU 27 2HD1 LEU 27 3.529 -12.829 -7.098 249 HD13 LEU 27 3HD1 LEU 27 5.197 -12.412 -6.708 250 HD21 LEU 27 3HD2 LEU 27 4.201 -10.116 -4.885 251 HD22 LEU 27 1HD2 LEU 27 5.490 -11.139 -4.251 252 HD23 LEU 27 2HD2 LEU 27 3.986 -10.957 -3.349 253 H ARG 28 H ARG 28 1.256 -14.665 -2.381 254 HA ARG 28 HA ARG 28 -1.094 -15.353 -3.652 255 HB2 ARG 28 2HB ARG 28 -1.511 -16.872 -1.806 256 HB3 ARG 28 3HB ARG 28 0.204 -16.866 -2.195 257 HG2 ARG 28 2HG ARG 28 0.478 -15.192 -0.310 258 HG3 ARG 28 3HG ARG 28 -1.175 -15.604 0.153 259 HD2 ARG 28 2HD ARG 28 -0.595 -17.851 0.591 260 HD3 ARG 28 3HD ARG 28 0.962 -17.685 -0.219 261 HE ARG 28 HE ARG 28 1.837 -16.809 1.709 262 HH11 ARG 28 1HH1 ARG 28 -1.638 -16.812 1.919 263 HH12 ARG 28 2HH1 ARG 28 -1.668 -16.364 3.592 264 HH21 ARG 28 2HH2 ARG 28 0.295 -16.027 4.725 265 HH22 ARG 28 1HH2 ARG 28 1.811 -16.219 3.912 Start of MODEL 20 1 H1 LYS 1 H LYS 1 1.712 -0.660 3.456 2 HA LYS 1 HA LYS 1 1.638 -0.523 1.108 3 HB2 LYS 1 2HB LYS 1 4.107 0.814 2.184 4 HB3 LYS 1 3HB LYS 1 3.682 0.935 0.481 5 HG2 LYS 1 2HG LYS 1 1.372 1.712 1.392 6 HG3 LYS 1 3HG LYS 1 2.282 2.051 2.867 7 HD2 LYS 1 2HD LYS 1 3.104 3.921 1.986 8 HD3 LYS 1 3HD LYS 1 3.710 3.042 0.580 9 HE2 LYS 1 2HE LYS 1 0.835 3.882 0.863 10 HE3 LYS 1 3HE LYS 1 2.060 4.913 0.124 11 HZ1 LYS 1 3HZ LYS 1 1.068 2.291 -0.819 12 HZ2 LYS 1 1HZ LYS 1 2.520 2.952 -1.384 13 HZ3 LYS 1 2HZ LYS 1 1.062 3.772 -1.637 14 H TYR 2 H TYR 2 2.024 -2.988 1.002 15 HA TYR 2 HA TYR 2 4.606 -3.548 -0.292 16 HB2 TYR 2 2HB TYR 2 3.751 -4.901 1.752 17 HB3 TYR 2 3HB TYR 2 2.667 -5.666 0.595 18 HD1 TYR 2 HD1 TYR 2 6.191 -4.590 0.084 19 HD2 TYR 2 HD2 TYR 2 3.486 -7.853 0.456 20 HE1 TYR 2 HE1 TYR 2 7.985 -6.143 -0.561 21 HE2 TYR 2 HE2 TYR 2 5.273 -9.415 -0.187 22 HH TYR 2 HH TYR 2 7.646 -9.562 -0.279 23 H GLU 3 H GLU 3 1.275 -3.159 -0.858 24 HA GLU 3 HA GLU 3 0.414 -4.771 -2.775 25 HB2 GLU 3 2HB GLU 3 -0.903 -2.868 -2.305 26 HB3 GLU 3 3HB GLU 3 0.380 -1.762 -2.775 27 HG2 GLU 3 2HG GLU 3 -0.001 -2.063 -5.030 28 HG3 GLU 3 3HG GLU 3 -0.796 -3.618 -4.793 29 H ILE 4 H ILE 4 0.803 -5.337 -4.866 30 HA ILE 4 HA ILE 4 3.102 -5.681 -6.024 31 HB ILE 4 HB ILE 4 1.069 -6.199 -7.232 32 HG12 ILE 4 2HG1 ILE 4 3.117 -4.525 -8.662 33 HG13 ILE 4 3HG1 ILE 4 2.933 -6.275 -8.659 34 HG21 ILE 4 1HG2 ILE 4 0.857 -3.284 -7.955 35 HG22 ILE 4 2HG2 ILE 4 -0.282 -4.575 -8.330 36 HG23 ILE 4 3HG2 ILE 4 -0.073 -4.041 -6.663 37 HD11 ILE 4 3HD1 ILE 4 2.138 -5.799 -10.730 38 HD12 ILE 4 1HD1 ILE 4 0.638 -5.682 -9.810 39 HD13 ILE 4 2HD1 ILE 4 1.518 -4.218 -10.253 40 H THR 5 H THR 5 1.519 -2.507 -6.121 41 HA THR 5 HA THR 5 3.036 -0.976 -7.683 42 HB THR 5 HB THR 5 2.778 0.905 -6.155 43 HG1 THR 5 HG1 THR 5 1.808 -0.924 -4.209 44 HG21 THR 5 3HG2 THR 5 0.259 0.367 -5.506 45 HG22 THR 5 1HG2 THR 5 0.539 -1.006 -6.576 46 HG23 THR 5 2HG2 THR 5 0.750 0.639 -7.177 47 H THR 6 H THR 6 4.066 -2.138 -4.500 48 HA THR 6 HA THR 6 6.805 -1.261 -5.150 49 HB THR 6 HB THR 6 5.275 -1.193 -2.606 50 HG1 THR 6 HG1 THR 6 6.550 0.708 -2.391 51 HG21 THR 6 3HG2 THR 6 8.220 -1.834 -2.752 52 HG22 THR 6 1HG2 THR 6 6.956 -2.781 -1.968 53 HG23 THR 6 2HG2 THR 6 7.418 -1.210 -1.311 54 H ILE 7 H ILE 7 4.755 -3.901 -4.405 55 HA ILE 7 HA ILE 7 6.509 -5.734 -3.263 56 HB ILE 7 HB ILE 7 3.905 -5.816 -4.372 57 HG12 ILE 7 2HG1 ILE 7 5.148 -8.206 -3.084 58 HG13 ILE 7 3HG1 ILE 7 5.066 -6.709 -2.161 59 HG21 ILE 7 1HG2 ILE 7 4.892 -6.800 -6.375 60 HG22 ILE 7 2HG2 ILE 7 5.665 -8.042 -5.391 61 HG23 ILE 7 3HG2 ILE 7 3.907 -7.978 -5.509 62 HD11 ILE 7 3HD1 ILE 7 2.857 -6.879 -1.849 63 HD12 ILE 7 1HD1 ILE 7 2.566 -7.487 -3.479 64 HD13 ILE 7 2HD1 ILE 7 3.128 -8.583 -2.216 65 H HIS 8 H HIS 8 6.108 -4.752 -6.608 66 HA HIS 8 HA HIS 8 7.493 -6.781 -7.903 67 HB2 HIS 8 2HB HIS 8 7.831 -5.218 -9.716 68 HB3 HIS 8 3HB HIS 8 6.231 -4.954 -9.030 69 HD1 HIS 8 HD1 HIS 8 7.552 -3.277 -6.552 70 HD2 HIS 8 HD2 HIS 8 7.907 -2.554 -10.628 71 HE1 HIS 8 HE1 HIS 8 8.122 -0.836 -6.755 72 H ASN 9 H ASN 9 8.664 -4.251 -5.864 73 HA ASN 9 HA ASN 9 11.340 -4.149 -6.760 74 HB2 ASN 9 2HB ASN 9 10.083 -2.543 -5.172 75 HB3 ASN 9 3HB ASN 9 10.525 -3.680 -3.901 76 HD21 ASN 9 2HD2 ASN 9 13.360 -1.349 -5.682 77 HD22 ASN 9 1HD2 ASN 9 11.828 -1.616 -6.436 78 H LEU 10 H LEU 10 9.610 -6.378 -4.743 79 HA LEU 10 HA LEU 10 12.080 -7.646 -3.832 80 HB2 LEU 10 2HB LEU 10 10.586 -7.507 -2.068 81 HB3 LEU 10 3HB LEU 10 9.195 -7.874 -3.087 82 HG LEU 10 HG LEU 10 11.112 -10.075 -2.863 83 HD11 LEU 10 1HD1 LEU 10 10.074 -8.738 -0.451 84 HD12 LEU 10 2HD1 LEU 10 11.487 -9.771 -0.662 85 HD13 LEU 10 3HD1 LEU 10 9.884 -10.491 -0.510 86 HD21 LEU 10 3HD2 LEU 10 9.272 -11.195 -3.398 87 HD22 LEU 10 1HD2 LEU 10 8.400 -9.663 -3.450 88 HD23 LEU 10 2HD2 LEU 10 8.441 -10.604 -1.958 89 H PHE 11 H PHE 11 9.644 -7.975 -6.220 90 HA PHE 11 HA PHE 11 9.373 -10.612 -6.748 91 HB2 PHE 11 2HB PHE 11 9.604 -8.217 -8.496 92 HB3 PHE 11 3HB PHE 11 9.700 -9.792 -9.276 93 HD1 PHE 11 HD1 PHE 11 7.735 -9.877 -6.322 94 HD2 PHE 11 HD2 PHE 11 7.620 -8.862 -10.454 95 HE1 PHE 11 HE1 PHE 11 5.280 -10.039 -6.290 96 HE2 PHE 11 HE2 PHE 11 5.165 -9.021 -10.428 97 HZ PHE 11 HZ PHE 11 3.992 -9.610 -8.344 98 H ARG 12 H ARG 12 10.774 -12.229 -6.816 99 HA ARG 12 HA ARG 12 13.552 -11.942 -7.001 100 HB2 ARG 12 2HB ARG 12 12.872 -13.921 -5.991 101 HB3 ARG 12 3HB ARG 12 11.672 -14.261 -7.231 102 HG2 ARG 12 2HG ARG 12 13.635 -15.782 -7.257 103 HG3 ARG 12 3HG ARG 12 13.357 -14.935 -8.780 104 HD2 ARG 12 2HD ARG 12 15.353 -13.951 -8.690 105 HD3 ARG 12 3HD ARG 12 15.090 -13.425 -7.027 106 HE ARG 12 HE ARG 12 15.738 -16.205 -7.216 107 HH11 ARG 12 1HH1 ARG 12 17.071 -12.990 -7.152 108 HH12 ARG 12 2HH1 ARG 12 18.611 -13.499 -6.541 109 HH21 ARG 12 2HH2 ARG 12 19.002 -15.717 -6.122 110 HH22 ARG 12 1HH2 ARG 12 17.760 -16.888 -6.412 111 H LYS 13 H LYS 13 11.672 -13.803 -9.371 112 HA LYS 13 HA LYS 13 13.586 -13.139 -11.436 113 HB2 LYS 13 2HB LYS 13 12.709 -15.418 -11.279 114 HB3 LYS 13 3HB LYS 13 11.074 -14.821 -11.527 115 HG2 LYS 13 2HG LYS 13 12.491 -15.843 -13.497 116 HG3 LYS 13 3HG LYS 13 11.375 -14.501 -13.758 117 HD2 LYS 13 2HD LYS 13 13.101 -12.933 -13.876 118 HD3 LYS 13 3HD LYS 13 14.255 -14.007 -13.081 119 HE2 LYS 13 2HE LYS 13 14.359 -15.417 -15.028 120 HE3 LYS 13 3HE LYS 13 13.073 -14.500 -15.811 121 HZ1 LYS 13 3HZ LYS 13 14.517 -12.984 -16.519 122 HZ2 LYS 13 1HZ LYS 13 15.747 -14.061 -16.082 123 HZ3 LYS 13 2HZ LYS 13 15.266 -12.846 -15.008 124 H LEU 14 H LEU 14 10.343 -13.513 -12.483 125 HA LEU 14 HA LEU 14 10.326 -10.718 -13.385 126 HB2 LEU 14 2HB LEU 14 10.212 -12.234 -15.209 127 HB3 LEU 14 3HB LEU 14 8.960 -13.190 -14.418 128 HG LEU 14 HG LEU 14 7.872 -10.628 -14.690 129 HD11 LEU 14 1HD1 LEU 14 8.493 -9.720 -16.633 130 HD12 LEU 14 2HD1 LEU 14 8.560 -11.282 -17.450 131 HD13 LEU 14 3HD1 LEU 14 9.932 -10.730 -16.489 132 HD21 LEU 14 3HD2 LEU 14 7.132 -13.207 -15.116 133 HD22 LEU 14 1HD2 LEU 14 7.201 -12.588 -16.767 134 HD23 LEU 14 2HD2 LEU 14 6.172 -11.799 -15.572 135 H THR 15 H THR 15 7.486 -12.739 -13.294 136 HA THR 15 HA THR 15 6.391 -11.090 -11.112 137 HB THR 15 HB THR 15 5.214 -11.670 -13.799 138 HG1 THR 15 HG1 THR 15 5.828 -9.601 -13.659 139 HG21 THR 15 3HG2 THR 15 3.508 -10.960 -11.420 140 HG22 THR 15 1HG2 THR 15 3.681 -12.611 -12.014 141 HG23 THR 15 2HG2 THR 15 2.983 -11.369 -13.053 142 H HIS 16 H HIS 16 5.769 -14.024 -13.043 143 HA HIS 16 HA HIS 16 5.061 -15.404 -10.542 144 HB2 HIS 16 2HB HIS 16 3.445 -16.749 -12.065 145 HB3 HIS 16 3HB HIS 16 2.951 -15.154 -11.504 146 HD1 HIS 16 HD1 HIS 16 5.214 -15.937 -14.446 147 HD2 HIS 16 HD2 HIS 16 1.491 -14.283 -13.631 148 HE1 HIS 16 HE1 HIS 16 4.386 -15.031 -16.641 149 H ARG 17 H ARG 17 7.339 -15.216 -12.733 150 HA ARG 17 HA ARG 17 7.745 -17.560 -14.042 151 HB2 ARG 17 2HB ARG 17 9.295 -15.589 -13.994 152 HB3 ARG 17 3HB ARG 17 9.892 -16.161 -12.443 153 HG2 ARG 17 2HG ARG 17 11.352 -17.446 -13.491 154 HG3 ARG 17 3HG ARG 17 10.025 -18.331 -14.247 155 HD2 ARG 17 2HD ARG 17 10.264 -17.261 -16.218 156 HD3 ARG 17 3HD ARG 17 10.650 -15.721 -15.451 157 HE ARG 17 HE ARG 17 12.852 -17.266 -15.010 158 HH11 ARG 17 1HH1 ARG 17 11.063 -16.289 -17.832 159 HH12 ARG 17 2HH1 ARG 17 12.442 -16.323 -18.879 160 HH21 ARG 17 2HH2 ARG 17 14.497 -16.907 -18.052 161 HH22 ARG 17 1HH2 ARG 17 14.676 -17.314 -16.379 162 H LEU 18 H LEU 18 9.535 -17.144 -11.017 163 HA LEU 18 HA LEU 18 8.683 -19.842 -10.206 164 HB2 LEU 18 2HB LEU 18 10.913 -20.344 -9.455 165 HB3 LEU 18 3HB LEU 18 10.947 -19.896 -11.159 166 HG LEU 18 HG LEU 18 11.475 -17.678 -9.312 167 HD11 LEU 18 1HD1 LEU 18 12.836 -20.194 -8.939 168 HD12 LEU 18 2HD1 LEU 18 12.959 -18.698 -8.014 169 HD13 LEU 18 3HD1 LEU 18 13.955 -18.930 -9.450 170 HD21 LEU 18 3HD2 LEU 18 13.442 -17.513 -10.961 171 HD22 LEU 18 1HD2 LEU 18 11.813 -17.223 -11.570 172 HD23 LEU 18 2HD2 LEU 18 12.601 -18.773 -11.866 173 H PHE 19 H PHE 19 7.285 -17.845 -9.198 174 HA PHE 19 HA PHE 19 8.487 -17.029 -6.661 175 HB2 PHE 19 2HB PHE 19 5.835 -16.247 -7.891 176 HB3 PHE 19 3HB PHE 19 6.540 -15.555 -6.433 177 HD1 PHE 19 HD1 PHE 19 8.074 -13.789 -6.553 178 HD2 PHE 19 HD2 PHE 19 7.020 -15.921 -10.083 179 HE1 PHE 19 HE1 PHE 19 9.235 -12.101 -7.916 180 HE2 PHE 19 HE2 PHE 19 8.181 -14.237 -11.451 181 HZ PHE 19 HZ PHE 19 9.291 -12.324 -10.368 182 H ARG 20 H ARG 20 7.506 -19.800 -7.380 183 HA ARG 20 HA ARG 20 5.855 -20.163 -4.980 184 HB2 ARG 20 2HB ARG 20 4.372 -21.674 -6.069 185 HB3 ARG 20 3HB ARG 20 4.454 -20.235 -7.075 186 HG2 ARG 20 2HG ARG 20 6.391 -21.681 -8.225 187 HG3 ARG 20 3HG ARG 20 5.369 -22.985 -7.617 188 HD2 ARG 20 2HD ARG 20 3.731 -20.965 -8.810 189 HD3 ARG 20 3HD ARG 20 5.007 -21.424 -9.937 190 HE ARG 20 HE ARG 20 3.917 -23.766 -8.897 191 HH11 ARG 20 1HH1 ARG 20 2.940 -21.077 -10.881 192 HH12 ARG 20 2HH1 ARG 20 1.773 -21.993 -11.776 193 HH21 ARG 20 2HH2 ARG 20 1.457 -24.215 -11.313 194 HH22 ARG 20 1HH2 ARG 20 2.384 -24.983 -10.069 195 H ARG 21 H ARG 21 8.668 -20.818 -6.471 196 HA ARG 21 HA ARG 21 8.940 -23.622 -6.019 197 HB2 ARG 21 2HB ARG 21 10.814 -21.387 -6.690 198 HB3 ARG 21 3HB ARG 21 11.469 -22.932 -6.165 199 HG2 ARG 21 2HG ARG 21 11.398 -22.813 -8.579 200 HG3 ARG 21 3HG ARG 21 10.285 -24.050 -7.991 201 HD2 ARG 21 2HD ARG 21 8.403 -22.719 -8.429 202 HD3 ARG 21 3HD ARG 21 9.370 -21.252 -8.575 203 HE ARG 21 HE ARG 21 9.777 -21.777 -10.768 204 HH11 ARG 21 1HH1 ARG 21 8.498 -24.573 -9.135 205 HH12 ARG 21 2HH1 ARG 21 8.308 -25.497 -10.589 206 HH21 ARG 21 2HH2 ARG 21 8.898 -24.592 -12.609 207 HH22 ARG 21 1HH2 ARG 21 9.532 -22.983 -12.689 208 H ASN 22 H ASN 22 10.703 -20.943 -4.457 209 HA ASN 22 HA ASN 22 10.873 -22.576 -2.025 210 HB2 ASN 22 2HB ASN 22 12.718 -20.865 -3.391 211 HB3 ASN 22 3HB ASN 22 12.433 -20.215 -1.779 212 HD21 ASN 22 2HD2 ASN 22 14.031 -22.820 -0.080 213 HD22 ASN 22 1HD2 ASN 22 12.920 -21.502 0.033 214 H PHE 23 H PHE 23 9.702 -19.529 -3.272 215 HA PHE 23 HA PHE 23 8.686 -18.829 -0.602 216 HB2 PHE 23 2HB PHE 23 8.235 -16.635 -2.231 217 HB3 PHE 23 3HB PHE 23 9.568 -16.825 -1.096 218 HD1 PHE 23 HD1 PHE 23 8.713 -16.163 -4.425 219 HD2 PHE 23 HD2 PHE 23 11.642 -18.135 -2.049 220 HE1 PHE 23 HE1 PHE 23 10.311 -16.031 -6.292 221 HE2 PHE 23 HE2 PHE 23 13.245 -18.005 -3.911 222 HZ PHE 23 HZ PHE 23 12.580 -16.951 -6.036 223 H GLY 24 H GLY 24 6.782 -19.942 -0.488 224 HA2 GLY 24 2HA GLY 24 4.934 -20.751 -2.161 225 HA3 GLY 24 3HA GLY 24 4.441 -19.859 -0.729 226 H TYR 25 H TYR 25 3.876 -17.667 -0.914 227 HA TYR 25 HA TYR 25 3.703 -16.569 -3.622 228 HB2 TYR 25 2HB TYR 25 1.527 -17.792 -2.551 229 HB3 TYR 25 3HB TYR 25 1.290 -16.148 -1.971 230 HD1 TYR 25 HD1 TYR 25 2.906 -15.226 -4.658 231 HD2 TYR 25 HD2 TYR 25 -0.640 -17.410 -3.789 232 HE1 TYR 25 HE1 TYR 25 1.983 -14.586 -6.846 233 HE2 TYR 25 HE2 TYR 25 -1.573 -16.777 -5.975 234 HH TYR 25 HH TYR 25 -0.083 -15.916 -8.431 235 H THR 26 H THR 26 5.562 -15.639 -2.035 236 HA THR 26 HA THR 26 4.998 -13.759 -0.090 237 HB THR 26 HB THR 26 7.289 -14.586 -0.846 238 HG1 THR 26 HG1 THR 26 8.182 -12.842 0.124 239 HG21 THR 26 3HG2 THR 26 8.458 -13.195 -2.486 240 HG22 THR 26 1HG2 THR 26 6.972 -12.296 -2.791 241 HG23 THR 26 2HG2 THR 26 7.072 -14.005 -3.217 242 H LEU 27 H LEU 27 4.503 -13.572 -3.503 243 HA LEU 27 HA LEU 27 4.461 -10.762 -3.796 244 HB2 LEU 27 2HB LEU 27 2.715 -12.527 -5.446 245 HB3 LEU 27 3HB LEU 27 3.667 -11.124 -5.928 246 HG LEU 27 HG LEU 27 4.670 -13.914 -5.382 247 HD11 LEU 27 1HD1 LEU 27 3.541 -13.061 -7.625 248 HD12 LEU 27 2HD1 LEU 27 4.924 -14.154 -7.627 249 HD13 LEU 27 3HD1 LEU 27 5.164 -12.428 -7.900 250 HD21 LEU 27 3HD2 LEU 27 6.635 -12.143 -6.484 251 HD22 LEU 27 1HD2 LEU 27 6.709 -13.121 -5.018 252 HD23 LEU 27 2HD2 LEU 27 6.030 -11.494 -4.960 253 H ARG 28 H ARG 28 2.193 -13.026 -2.505 254 HA ARG 28 HA ARG 28 -0.236 -11.773 -2.848 255 HB2 ARG 28 2HB ARG 28 -1.019 -12.982 -0.961 256 HB3 ARG 28 3HB ARG 28 0.214 -13.986 -1.711 257 HG2 ARG 28 2HG ARG 28 1.811 -12.889 -0.001 258 HG3 ARG 28 3HG ARG 28 0.328 -12.455 0.852 259 HD2 ARG 28 2HD ARG 28 -0.320 -14.881 0.743 260 HD3 ARG 28 3HD ARG 28 1.301 -15.214 0.136 261 HE ARG 28 HE ARG 28 2.075 -15.031 2.271 262 HH11 ARG 28 1HH1 ARG 28 -1.000 -13.412 2.062 263 HH12 ARG 28 2HH1 ARG 28 -1.088 -13.080 3.760 264 HH21 ARG 28 2HH2 ARG 28 0.603 -13.755 5.151 265 HH22 ARG 28 1HH2 ARG 28 1.971 -14.599 4.509
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