NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
14441 | 1wr3 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H GLY 1 1H GLY 1 -6.841 -7.626 -19.311 2 2H GLY 1 2H GLY 1 -5.915 -8.688 -18.370 3 3H GLY 1 3H GLY 1 -5.486 -7.049 -18.478 4 1HA GLY 1 2HA GLY 1 -6.619 -7.720 -16.362 5 2HA GLY 1 1HA GLY 1 -7.323 -6.355 -17.221 6 H SER 2 H SER 2 -7.563 -9.856 -17.827 7 HA SER 2 HA SER 2 -10.432 -9.578 -18.075 8 1HB SER 2 2HB SER 2 -9.424 -12.302 -18.259 9 2HB SER 2 1HB SER 2 -10.258 -11.328 -19.472 10 HG SER 2 HG SER 2 -8.087 -11.911 -20.068 11 HA PRO 3 HA PRO 3 -10.505 -12.275 -14.209 12 1HB PRO 3 2HB PRO 3 -8.341 -13.527 -13.249 13 2HB PRO 3 1HB PRO 3 -9.246 -14.165 -14.624 14 1HG PRO 3 2HG PRO 3 -6.624 -12.783 -14.564 15 2HG PRO 3 1HG PRO 3 -7.219 -14.024 -15.677 16 1HD PRO 3 2HD PRO 3 -7.134 -11.236 -16.132 17 2HD PRO 3 1HD PRO 3 -7.933 -12.456 -17.138 18 HA PRO 4 HA PRO 4 -9.282 -9.101 -11.365 19 1HB PRO 4 2HB PRO 4 -10.378 -10.709 -9.196 20 2HB PRO 4 1HB PRO 4 -10.989 -9.200 -9.879 21 1HG PRO 4 2HG PRO 4 -12.252 -11.577 -10.207 22 2HG PRO 4 1HG PRO 4 -12.316 -10.278 -11.412 23 1HD PRO 4 2HD PRO 4 -10.647 -12.762 -11.387 24 2HD PRO 4 1HD PRO 4 -11.499 -11.988 -12.742 25 H LEU 5 H LEU 5 -7.907 -8.723 -9.525 26 HA LEU 5 HA LEU 5 -5.687 -10.414 -9.355 27 1HB LEU 5 2HB LEU 5 -4.786 -8.664 -8.316 28 2HB LEU 5 1HB LEU 5 -6.213 -7.829 -8.847 29 HG LEU 5 HG LEU 5 -6.087 -9.095 -6.130 30 1HD1 LEU 5 1HD1 LEU 5 -5.105 -6.378 -6.979 31 2HD1 LEU 5 2HD1 LEU 5 -5.327 -6.898 -5.308 32 3HD1 LEU 5 3HD1 LEU 5 -4.126 -7.692 -6.326 33 1HD2 LEU 5 1HD2 LEU 5 -8.201 -8.338 -6.193 34 2HD2 LEU 5 2HD2 LEU 5 -7.478 -6.738 -6.006 35 3HD2 LEU 5 3HD2 LEU 5 -7.895 -7.336 -7.613 36 HA PRO 6 HA PRO 6 -6.517 -13.676 -6.737 37 1HB PRO 6 2HB PRO 6 -4.448 -12.713 -4.814 38 2HB PRO 6 1HB PRO 6 -4.642 -14.303 -5.562 39 1HG PRO 6 2HG PRO 6 -2.790 -12.633 -6.460 40 2HG PRO 6 1HG PRO 6 -3.752 -13.600 -7.596 41 1HD PRO 6 2HD PRO 6 -3.973 -10.702 -6.908 42 2HD PRO 6 1HD PRO 6 -4.203 -11.513 -8.467 43 HA PRO 7 HA PRO 7 -9.470 -12.466 -3.707 44 1HB PRO 7 2HB PRO 7 -9.055 -15.203 -2.637 45 2HB PRO 7 1HB PRO 7 -10.540 -14.427 -3.198 46 1HG PRO 7 2HG PRO 7 -9.352 -16.296 -4.673 47 2HG PRO 7 1HG PRO 7 -10.080 -14.867 -5.434 48 1HD PRO 7 2HD PRO 7 -7.196 -15.441 -4.855 49 2HD PRO 7 1HD PRO 7 -7.926 -14.711 -6.299 50 H GLY 8 H GLY 8 -9.254 -11.419 -1.844 51 1HA GLY 8 1HA GLY 8 -8.539 -11.401 0.481 52 2HA GLY 8 2HA GLY 8 -7.079 -12.247 -0.027 53 H TRP 9 H TRP 9 -7.205 -10.378 -2.482 54 HA TRP 9 HA TRP 9 -5.620 -8.266 -1.275 55 1HB TRP 9 2HB TRP 9 -6.222 -9.022 -4.146 56 2HB TRP 9 1HB TRP 9 -5.349 -7.558 -3.708 57 HD1 TRP 9 HD TRP 9 -4.951 -11.369 -3.751 58 HE1 TRP 9 1HE TRP 9 -2.443 -11.929 -3.503 59 HE3 TRP 9 3HE TRP 9 -3.189 -6.685 -2.752 60 HZ2 TRP 9 2HZ TRP 9 -0.040 -10.548 -2.929 61 HZ3 TRP 9 3HZ TRP 9 -0.783 -6.390 -2.357 62 HH2 TRP 9 HH TRP 9 0.764 -8.277 -2.443 63 H GLU 10 H GLU 10 -6.395 -6.322 -0.768 64 HA GLU 10 HA GLU 10 -9.105 -5.652 -1.711 65 1HB GLU 10 2HB GLU 10 -8.958 -6.232 0.673 66 2HB GLU 10 1HB GLU 10 -7.756 -4.975 0.910 67 1HG GLU 10 2HG GLU 10 -9.648 -3.427 -0.035 68 2HG GLU 10 1HG GLU 10 -10.686 -4.751 0.490 69 H GLU 11 H GLU 11 -9.407 -3.755 -2.717 70 HA GLU 11 HA GLU 11 -7.142 -2.095 -3.316 71 1HB GLU 11 2HB GLU 11 -9.431 -2.665 -4.649 72 2HB GLU 11 1HB GLU 11 -9.855 -1.109 -3.950 73 1HG GLU 11 2HG GLU 11 -8.101 -0.011 -5.067 74 2HG GLU 11 1HG GLU 11 -7.326 -1.533 -5.504 75 H LYS 12 H LYS 12 -6.382 -0.721 -1.855 76 HA LYS 12 HA LYS 12 -8.299 0.834 -0.238 77 1HB LYS 12 2HB LYS 12 -6.355 -1.079 0.642 78 2HB LYS 12 1HB LYS 12 -5.891 0.515 1.223 79 1HG LYS 12 2HG LYS 12 -8.194 0.755 2.150 80 2HG LYS 12 1HG LYS 12 -8.479 -0.932 1.712 81 1HD LYS 12 2HD LYS 12 -6.614 -1.620 3.129 82 2HD LYS 12 1HD LYS 12 -6.314 0.065 3.562 83 1HE LYS 12 2HE LYS 12 -7.614 -0.480 5.333 84 2HE LYS 12 1HE LYS 12 -8.894 -0.082 4.193 85 1HZ LYS 12 1HZ LYS 12 -9.231 -2.362 3.702 86 2HZ LYS 12 2HZ LYS 12 -9.211 -2.210 5.398 87 3HZ LYS 12 3HZ LYS 12 -7.858 -2.827 4.592 88 H VAL 13 H VAL 13 -8.059 2.939 -0.669 89 HA VAL 13 HA VAL 13 -5.578 3.941 -1.765 90 HB VAL 13 HB VAL 13 -8.161 4.730 -2.121 91 1HG1 VAL 13 1HG1 VAL 13 -8.124 5.707 0.206 92 2HG1 VAL 13 2HG1 VAL 13 -6.979 6.894 -0.421 93 3HG1 VAL 13 3HG1 VAL 13 -8.605 6.801 -1.092 94 1HG2 VAL 13 1HG2 VAL 13 -6.923 6.992 -2.840 95 2HG2 VAL 13 2HG2 VAL 13 -5.528 5.928 -2.660 96 3HG2 VAL 13 3HG2 VAL 13 -6.830 5.494 -3.766 97 H ASP 14 H ASP 14 -4.172 5.398 -0.746 98 HA ASP 14 HA ASP 14 -4.250 5.281 2.167 99 1HB ASP 14 2HB ASP 14 -1.984 5.509 2.153 100 2HB ASP 14 1HB ASP 14 -2.173 4.912 0.510 101 H ASN 15 H ASN 15 -3.137 7.445 3.113 102 HA ASN 15 HA ASN 15 -5.202 9.357 3.030 103 1HB ASN 15 2HB ASN 15 -3.493 10.770 4.352 104 2HB ASN 15 1HB ASN 15 -4.048 9.258 5.063 105 1HD2 ASN 15 1HD2 ASN 15 -1.383 11.094 4.251 106 2HD2 ASN 15 2HD2 ASN 15 -0.170 9.874 4.417 107 H LEU 16 H LEU 16 -2.134 9.149 1.337 108 HA LEU 16 HA LEU 16 -2.212 11.874 0.418 109 1HB LEU 16 2HB LEU 16 -0.390 9.643 0.274 110 2HB LEU 16 1HB LEU 16 -0.580 10.376 -1.306 111 HG LEU 16 HG LEU 16 1.241 11.507 -0.421 112 1HD1 LEU 16 1HD1 LEU 16 -0.050 13.694 0.635 113 2HD1 LEU 16 2HD1 LEU 16 0.278 13.406 -1.072 114 3HD1 LEU 16 3HD1 LEU 16 -1.281 12.953 -0.386 115 1HD2 LEU 16 1HD2 LEU 16 -0.198 11.793 2.210 116 2HD2 LEU 16 2HD2 LEU 16 1.003 10.552 1.852 117 3HD2 LEU 16 3HD2 LEU 16 1.465 12.253 1.851 118 H GLY 17 H GLY 17 -3.059 8.714 -0.932 119 1HA GLY 17 1HA GLY 17 -5.242 8.955 -2.213 120 2HA GLY 17 2HA GLY 17 -4.373 10.151 -3.158 121 H ARG 18 H ARG 18 -2.720 7.288 -2.061 122 HA ARG 18 HA ARG 18 -2.689 6.346 -4.846 123 1HB ARG 18 2HB ARG 18 -0.825 5.286 -2.742 124 2HB ARG 18 1HB ARG 18 -0.590 5.395 -4.478 125 1HG ARG 18 2HG ARG 18 0.024 7.607 -4.403 126 2HG ARG 18 1HG ARG 18 -0.864 7.901 -2.907 127 1HD ARG 18 2HD ARG 18 1.329 5.969 -2.671 128 2HD ARG 18 1HD ARG 18 1.828 7.615 -3.068 129 HE ARG 18 HE ARG 18 -0.048 7.289 -0.860 130 1HH1 ARG 18 2HH1 ARG 18 3.245 7.864 -1.895 131 2HH1 ARG 18 1HH1 ARG 18 3.759 8.470 -0.351 132 1HH2 ARG 18 2HH2 ARG 18 0.615 8.038 1.171 133 2HH2 ARG 18 1HH2 ARG 18 2.265 8.555 1.402 134 H THR 19 H THR 19 -4.255 4.963 -5.182 135 HA THR 19 HA THR 19 -5.398 3.282 -3.198 136 HB THR 19 HB THR 19 -5.744 2.502 -6.034 137 HG1 THR 19 1HG THR 19 -5.549 4.795 -6.228 138 1HG2 THR 19 1HG2 THR 19 -7.809 3.338 -4.014 139 2HG2 THR 19 2HG2 THR 19 -7.085 1.729 -4.016 140 3HG2 THR 19 3HG2 THR 19 -8.003 2.284 -5.415 141 H TYR 20 H TYR 20 -3.839 1.971 -2.300 142 HA TYR 20 HA TYR 20 -2.241 0.272 -4.040 143 1HB TYR 20 2HB TYR 20 -1.073 -0.399 -1.983 144 2HB TYR 20 1HB TYR 20 -1.093 1.347 -2.177 145 HD1 TYR 20 1HD TYR 20 -2.130 2.755 -0.539 146 HD2 TYR 20 2HD TYR 20 -2.538 -1.475 -0.280 147 HE1 TYR 20 1HE TYR 20 -3.035 2.987 1.732 148 HE2 TYR 20 2HE TYR 20 -3.453 -1.244 1.988 149 HH TYR 20 HH TYR 20 -3.214 1.571 3.797 150 H TYR 21 H TYR 21 -1.962 -2.056 -2.984 151 HA TYR 21 HA TYR 21 -4.686 -3.104 -2.599 152 1HB TYR 21 2HB TYR 21 -2.348 -4.279 -4.113 153 2HB TYR 21 1HB TYR 21 -3.771 -5.219 -3.675 154 HD1 TYR 21 1HD TYR 21 -6.036 -4.401 -4.527 155 HD2 TYR 21 2HD TYR 21 -2.333 -2.985 -6.065 156 HE1 TYR 21 1HE TYR 21 -7.188 -3.594 -6.540 157 HE2 TYR 21 2HE TYR 21 -3.475 -2.167 -8.082 158 HH TYR 21 HH TYR 21 -6.929 -2.052 -8.316 159 H VAL 22 H VAL 22 -4.955 -3.734 -0.584 160 HA VAL 22 HA VAL 22 -2.637 -4.652 0.931 161 HB VAL 22 HB VAL 22 -3.868 -3.041 2.156 162 1HG1 VAL 22 1HG1 VAL 22 -6.048 -2.676 1.965 163 2HG1 VAL 22 2HG1 VAL 22 -6.129 -4.036 0.842 164 3HG1 VAL 22 3HG1 VAL 22 -6.410 -4.296 2.562 165 1HG2 VAL 22 1HG2 VAL 22 -3.544 -5.670 3.097 166 2HG2 VAL 22 2HG2 VAL 22 -3.600 -4.178 4.038 167 3HG2 VAL 22 3HG2 VAL 22 -5.082 -5.086 3.734 168 H ASN 23 H ASN 23 -2.190 -6.698 0.593 169 HA ASN 23 HA ASN 23 -4.089 -8.748 0.134 170 1HB ASN 23 2HB ASN 23 -1.790 -9.056 -0.556 171 2HB ASN 23 1HB ASN 23 -1.222 -8.842 1.097 172 1HD2 ASN 23 1HD2 ASN 23 -2.970 -10.968 -1.074 173 2HD2 ASN 23 2HD2 ASN 23 -2.756 -12.402 -0.130 174 H HIS 24 H HIS 24 -5.406 -9.735 1.587 175 HA HIS 24 HA HIS 24 -5.379 -8.836 4.299 176 1HB HIS 24 2HB HIS 24 -7.047 -10.840 2.805 177 2HB HIS 24 1HB HIS 24 -7.226 -10.606 4.538 178 HD1 HIS 24 1HD HIS 24 -9.692 -10.014 3.213 179 HD2 HIS 24 2HD HIS 24 -6.655 -7.162 3.307 180 HE1 HIS 24 1HE HIS 24 -10.817 -7.798 2.801 181 HE2 HIS 24 2HE HIS 24 -8.980 -6.076 2.952 182 H ASN 25 H ASN 25 -3.996 -11.545 2.691 183 HA ASN 25 HA ASN 25 -4.015 -13.358 4.880 184 1HB ASN 25 2HB ASN 25 -3.239 -13.357 2.126 185 2HB ASN 25 1HB ASN 25 -1.905 -13.988 3.086 186 1HD2 ASN 25 1HD2 ASN 25 -4.789 -14.684 1.590 187 2HD2 ASN 25 2HD2 ASN 25 -5.116 -16.216 2.329 188 H ASN 26 H ASN 26 -1.426 -11.402 3.400 189 HA ASN 26 HA ASN 26 0.200 -11.820 5.832 190 1HB ASN 26 2HB ASN 26 1.198 -12.771 3.821 191 2HB ASN 26 1HB ASN 26 1.047 -11.232 2.986 192 1HD2 ASN 26 1HD2 ASN 26 2.444 -12.558 5.975 193 2HD2 ASN 26 2HD2 ASN 26 3.921 -11.655 5.879 194 H ARG 27 H ARG 27 -1.613 -9.560 4.225 195 HA ARG 27 HA ARG 27 -1.940 -7.345 4.347 196 1HB ARG 27 2HB ARG 27 -0.124 -7.270 6.752 197 2HB ARG 27 1HB ARG 27 -1.424 -6.159 6.332 198 1HG ARG 27 2HG ARG 27 -1.701 -9.013 7.231 199 2HG ARG 27 1HG ARG 27 -2.164 -7.559 8.116 200 1HD ARG 27 2HD ARG 27 -3.383 -7.713 5.479 201 2HD ARG 27 1HD ARG 27 -3.803 -9.084 6.502 202 HE ARG 27 HE ARG 27 -4.399 -6.264 7.045 203 1HH1 ARG 27 2HH1 ARG 27 -4.707 -9.640 7.932 204 2HH1 ARG 27 1HH1 ARG 27 -6.112 -9.376 8.924 205 1HH2 ARG 27 2HH2 ARG 27 -6.212 -5.904 8.392 206 2HH2 ARG 27 1HH2 ARG 27 -6.923 -7.252 9.240 207 H SER 28 H SER 28 0.105 -8.271 2.667 208 HA SER 28 HA SER 28 2.297 -6.433 2.768 209 1HB SER 28 2HB SER 28 1.600 -7.667 0.170 210 2HB SER 28 1HB SER 28 3.134 -7.664 1.045 211 HG SER 28 HG SER 28 2.430 -9.349 2.301 212 H THR 29 H THR 29 1.558 -4.353 2.808 213 HA THR 29 HA THR 29 -0.551 -3.477 1.039 214 HB THR 29 HB THR 29 0.254 -1.214 2.249 215 HG1 THR 29 1HG THR 29 0.942 -1.855 4.398 216 1HG2 THR 29 1HG2 THR 29 -1.955 -2.463 2.398 217 2HG2 THR 29 2HG2 THR 29 -1.470 -1.564 3.836 218 3HG2 THR 29 3HG2 THR 29 -1.268 -3.316 3.780 219 H GLN 30 H GLN 30 0.582 -3.802 -0.994 220 HA GLN 30 HA GLN 30 2.692 -1.819 -1.538 221 1HB GLN 30 2HB GLN 30 3.015 -3.221 -3.666 222 2HB GLN 30 1HB GLN 30 3.553 -3.916 -2.147 223 1HG GLN 30 2HG GLN 30 2.429 -5.729 -2.779 224 2HG GLN 30 1HG GLN 30 0.985 -4.832 -2.328 225 1HE2 GLN 30 1HE2 GLN 30 2.496 -6.497 -4.764 226 2HE2 GLN 30 2HE2 GLN 30 1.534 -5.950 -6.090 227 H TRP 31 H TRP 31 2.527 -0.457 -3.410 228 HA TRP 31 HA TRP 31 -0.215 -0.268 -4.457 229 1HB TRP 31 2HB TRP 31 1.226 2.061 -5.187 230 2HB TRP 31 1HB TRP 31 -0.138 1.916 -4.100 231 HD1 TRP 31 HD TRP 31 3.657 1.217 -3.642 232 HE1 TRP 31 1HE TRP 31 4.412 2.389 -1.480 233 HE3 TRP 31 3HE TRP 31 -0.781 3.316 -2.302 234 HZ2 TRP 31 2HZ TRP 31 3.260 4.016 0.520 235 HZ3 TRP 31 3HZ TRP 31 -0.875 4.683 -0.269 236 HH2 TRP 31 HH TRP 31 1.103 5.026 1.112 237 H HIS 32 H HIS 32 1.827 -2.090 -5.567 238 HA HIS 32 HA HIS 32 1.965 -0.842 -8.239 239 1HB HIS 32 2HB HIS 32 3.939 -2.450 -8.658 240 2HB HIS 32 1HB HIS 32 4.225 -0.992 -7.723 241 HD1 HIS 32 1HD HIS 32 3.973 -4.732 -7.359 242 HD2 HIS 32 2HD HIS 32 5.099 -1.394 -5.147 243 HE1 HIS 32 1HE HIS 32 5.020 -5.627 -5.248 244 HE2 HIS 32 2HE HIS 32 5.675 -3.591 -3.915 245 H ARG 33 H ARG 33 0.319 -2.969 -6.564 246 HA ARG 33 HA ARG 33 -1.134 -4.616 -7.064 247 1HB ARG 33 2HB ARG 33 -1.348 -3.185 -9.222 248 2HB ARG 33 1HB ARG 33 -0.409 -4.469 -9.977 249 1HG ARG 33 2HG ARG 33 -2.087 -6.082 -9.513 250 2HG ARG 33 1HG ARG 33 -2.965 -4.965 -8.470 251 1HD ARG 33 2HD ARG 33 -4.066 -5.162 -10.625 252 2HD ARG 33 1HD ARG 33 -3.432 -3.535 -10.398 253 HE ARG 33 HE ARG 33 -1.746 -5.398 -11.872 254 1HH1 ARG 33 2HH1 ARG 33 -4.170 -2.874 -12.026 255 2HH1 ARG 33 1HH1 ARG 33 -3.720 -2.355 -13.625 256 1HH2 ARG 33 2HH2 ARG 33 -1.162 -4.749 -13.997 257 2HH2 ARG 33 1HH2 ARG 33 -1.989 -3.398 -14.734 258 HA PRO 34 HA PRO 34 1.499 -8.208 -7.164 259 1HB PRO 34 2HB PRO 34 -0.423 -10.059 -6.711 260 2HB PRO 34 1HB PRO 34 0.201 -9.003 -5.439 261 1HG PRO 34 2HG PRO 34 -2.319 -8.763 -7.027 262 2HG PRO 34 1HG PRO 34 -2.059 -8.489 -5.298 263 1HD PRO 34 2HD PRO 34 -2.215 -6.477 -7.123 264 2HD PRO 34 1HD PRO 34 -1.266 -6.366 -5.628 265 H SER 35 H SER 35 1.144 -7.242 -9.630 266 HA SER 35 HA SER 35 1.067 -9.523 -11.286 267 1HB SER 35 2HB SER 35 -0.941 -9.239 -12.498 268 2HB SER 35 1HB SER 35 -1.437 -9.006 -10.823 269 HG SER 35 HG SER 35 -0.973 -7.037 -12.815 270 H LEU 36 H LEU 36 1.027 -8.720 -13.685 271 HA LEU 36 HA LEU 36 2.519 -6.199 -13.839 272 1HB LEU 36 2HB LEU 36 2.909 -8.691 -15.058 273 2HB LEU 36 1HB LEU 36 2.277 -7.665 -16.330 274 HG LEU 36 HG LEU 36 4.933 -7.853 -15.410 275 1HD1 LEU 36 1HD1 LEU 36 5.095 -7.267 -17.540 276 2HD1 LEU 36 2HD1 LEU 36 3.416 -6.729 -17.566 277 3HD1 LEU 36 3HD1 LEU 36 4.693 -5.612 -17.080 278 1HD2 LEU 36 1HD2 LEU 36 3.640 -5.229 -14.690 279 2HD2 LEU 36 2HD2 LEU 36 4.603 -6.288 -13.659 280 3HD2 LEU 36 3HD2 LEU 36 5.372 -5.406 -14.979 Start of MODEL 2 1 1H GLY 1 1H GLY 1 -8.175 -4.270 -13.394 2 2H GLY 1 2H GLY 1 -7.809 -2.685 -13.865 3 3H GLY 1 3H GLY 1 -7.809 -3.103 -12.220 4 1HA GLY 1 2HA GLY 1 -5.581 -2.914 -13.524 5 2HA GLY 1 1HA GLY 1 -5.819 -4.177 -12.324 6 H SER 2 H SER 2 -3.926 -4.678 -14.087 7 HA SER 2 HA SER 2 -4.861 -5.987 -16.438 8 1HB SER 2 2HB SER 2 -2.245 -6.892 -15.690 9 2HB SER 2 1HB SER 2 -2.708 -5.811 -17.004 10 HG SER 2 HG SER 2 -1.221 -4.994 -15.278 11 HA PRO 3 HA PRO 3 -4.176 -10.069 -14.134 12 1HB PRO 3 2HB PRO 3 -3.201 -10.221 -11.678 13 2HB PRO 3 1HB PRO 3 -2.139 -9.817 -13.032 14 1HG PRO 3 2HG PRO 3 -3.373 -8.009 -10.991 15 2HG PRO 3 1HG PRO 3 -1.726 -7.997 -11.648 16 1HD PRO 3 2HD PRO 3 -3.797 -6.366 -12.513 17 2HD PRO 3 1HD PRO 3 -2.340 -6.745 -13.451 18 HA PRO 4 HA PRO 4 -7.986 -10.351 -11.740 19 1HB PRO 4 2HB PRO 4 -7.201 -13.144 -11.248 20 2HB PRO 4 1HB PRO 4 -8.628 -12.516 -12.077 21 1HG PRO 4 2HG PRO 4 -6.638 -13.739 -13.407 22 2HG PRO 4 1HG PRO 4 -7.557 -12.397 -14.114 23 1HD PRO 4 2HD PRO 4 -4.830 -12.386 -12.876 24 2HD PRO 4 1HD PRO 4 -5.413 -11.540 -14.325 25 H LEU 5 H LEU 5 -8.209 -9.764 -9.674 26 HA LEU 5 HA LEU 5 -5.961 -9.766 -7.926 27 1HB LEU 5 2HB LEU 5 -8.180 -8.237 -8.123 28 2HB LEU 5 1HB LEU 5 -8.637 -9.267 -6.779 29 HG LEU 5 HG LEU 5 -6.656 -8.562 -5.534 30 1HD1 LEU 5 1HD1 LEU 5 -6.052 -6.486 -7.584 31 2HD1 LEU 5 2HD1 LEU 5 -5.011 -7.176 -6.340 32 3HD1 LEU 5 3HD1 LEU 5 -5.401 -8.114 -7.781 33 1HD2 LEU 5 1HD2 LEU 5 -7.320 -5.916 -5.870 34 2HD2 LEU 5 2HD2 LEU 5 -8.765 -6.766 -6.419 35 3HD2 LEU 5 3HD2 LEU 5 -8.133 -7.060 -4.799 36 HA PRO 6 HA PRO 6 -6.605 -13.903 -6.380 37 1HB PRO 6 2HB PRO 6 -4.514 -13.086 -4.461 38 2HB PRO 6 1HB PRO 6 -4.531 -14.437 -5.597 39 1HG PRO 6 2HG PRO 6 -2.986 -12.293 -6.013 40 2HG PRO 6 1HG PRO 6 -3.776 -13.141 -7.357 41 1HD PRO 6 2HD PRO 6 -4.556 -10.585 -6.007 42 2HD PRO 6 1HD PRO 6 -4.574 -10.996 -7.734 43 HA PRO 7 HA PRO 7 -9.355 -13.307 -3.036 44 1HB PRO 7 2HB PRO 7 -8.432 -15.926 -1.997 45 2HB PRO 7 1HB PRO 7 -10.052 -15.417 -2.491 46 1HG PRO 7 2HG PRO 7 -8.624 -17.072 -4.016 47 2HG PRO 7 1HG PRO 7 -9.628 -15.801 -4.743 48 1HD PRO 7 2HD PRO 7 -6.664 -15.850 -4.300 49 2HD PRO 7 1HD PRO 7 -7.577 -15.292 -5.715 50 H GLY 8 H GLY 8 -8.756 -11.804 -1.622 51 1HA GLY 8 1HA GLY 8 -8.132 -11.801 0.836 52 2HA GLY 8 2HA GLY 8 -6.589 -12.440 0.277 53 H TRP 9 H TRP 9 -6.923 -10.672 -2.195 54 HA TRP 9 HA TRP 9 -5.568 -8.373 -1.080 55 1HB TRP 9 2HB TRP 9 -6.230 -9.223 -3.900 56 2HB TRP 9 1HB TRP 9 -5.465 -7.680 -3.531 57 HD1 TRP 9 HD TRP 9 -4.756 -11.419 -3.699 58 HE1 TRP 9 1HE TRP 9 -2.212 -11.785 -3.493 59 HE3 TRP 9 3HE TRP 9 -3.334 -6.655 -2.492 60 HZ2 TRP 9 2HZ TRP 9 0.086 -10.261 -2.876 61 HZ3 TRP 9 3HZ TRP 9 -0.953 -6.199 -2.094 62 HH2 TRP 9 HH TRP 9 0.724 -7.963 -2.291 63 H GLU 10 H GLU 10 -6.375 -6.350 -0.820 64 HA GLU 10 HA GLU 10 -9.114 -5.858 -1.795 65 1HB GLU 10 2HB GLU 10 -9.229 -6.330 0.569 66 2HB GLU 10 1HB GLU 10 -7.928 -5.200 0.901 67 1HG GLU 10 2HG GLU 10 -9.316 -3.341 0.297 68 2HG GLU 10 1HG GLU 10 -10.607 -4.426 -0.211 69 H GLU 11 H GLU 11 -9.485 -3.876 -2.700 70 HA GLU 11 HA GLU 11 -7.184 -2.232 -3.292 71 1HB GLU 11 2HB GLU 11 -9.131 -2.838 -4.883 72 2HB GLU 11 1HB GLU 11 -10.009 -1.559 -4.056 73 1HG GLU 11 2HG GLU 11 -8.346 0.062 -4.708 74 2HG GLU 11 1HG GLU 11 -7.359 -1.205 -5.437 75 H LYS 12 H LYS 12 -6.516 -0.736 -1.929 76 HA LYS 12 HA LYS 12 -8.510 0.906 -0.526 77 1HB LYS 12 2HB LYS 12 -6.416 -0.811 0.633 78 2HB LYS 12 1HB LYS 12 -6.455 0.829 1.267 79 1HG LYS 12 2HG LYS 12 -8.992 0.382 1.553 80 2HG LYS 12 1HG LYS 12 -8.521 -1.315 1.438 81 1HD LYS 12 2HD LYS 12 -6.920 -0.960 3.284 82 2HD LYS 12 1HD LYS 12 -7.481 0.707 3.418 83 1HE LYS 12 2HE LYS 12 -9.366 -1.618 3.627 84 2HE LYS 12 1HE LYS 12 -8.474 -1.017 5.025 85 1HZ LYS 12 1HZ LYS 12 -10.789 -0.091 4.641 86 2HZ LYS 12 2HZ LYS 12 -10.127 0.775 3.346 87 3HZ LYS 12 3HZ LYS 12 -9.555 1.037 4.922 88 H VAL 13 H VAL 13 -8.119 3.047 -0.750 89 HA VAL 13 HA VAL 13 -5.561 3.869 -1.881 90 HB VAL 13 HB VAL 13 -8.030 4.791 -2.437 91 1HG1 VAL 13 1HG1 VAL 13 -8.709 6.633 -1.297 92 2HG1 VAL 13 2HG1 VAL 13 -7.913 5.768 0.018 93 3HG1 VAL 13 3HG1 VAL 13 -7.069 7.069 -0.817 94 1HG2 VAL 13 1HG2 VAL 13 -5.325 5.945 -2.673 95 2HG2 VAL 13 2HG2 VAL 13 -6.493 5.513 -3.923 96 3HG2 VAL 13 3HG2 VAL 13 -6.682 7.017 -3.021 97 H ASP 14 H ASP 14 -4.177 5.393 -0.875 98 HA ASP 14 HA ASP 14 -4.339 5.281 2.039 99 1HB ASP 14 2HB ASP 14 -2.074 5.298 2.081 100 2HB ASP 14 1HB ASP 14 -2.248 4.773 0.413 101 H ASN 15 H ASN 15 -3.147 7.350 3.027 102 HA ASN 15 HA ASN 15 -5.084 9.377 2.902 103 1HB ASN 15 2HB ASN 15 -3.919 10.411 4.627 104 2HB ASN 15 1HB ASN 15 -3.458 8.723 4.812 105 1HD2 ASN 15 1HD2 ASN 15 -1.393 8.082 3.819 106 2HD2 ASN 15 2HD2 ASN 15 -0.096 9.229 3.817 107 H LEU 16 H LEU 16 -2.168 8.955 1.053 108 HA LEU 16 HA LEU 16 -2.140 11.787 0.318 109 1HB LEU 16 2HB LEU 16 -0.140 9.740 0.543 110 2HB LEU 16 1HB LEU 16 -0.114 10.419 -1.073 111 HG LEU 16 HG LEU 16 -0.231 12.678 0.455 112 1HD1 LEU 16 1HD1 LEU 16 0.585 12.414 2.503 113 2HD1 LEU 16 2HD1 LEU 16 0.377 10.677 2.280 114 3HD1 LEU 16 3HD1 LEU 16 1.928 11.433 1.913 115 1HD2 LEU 16 1HD2 LEU 16 1.670 11.289 -1.178 116 2HD2 LEU 16 2HD2 LEU 16 1.464 13.023 -0.934 117 3HD2 LEU 16 3HD2 LEU 16 2.495 12.094 0.156 118 H GLY 17 H GLY 17 -3.626 9.050 -0.712 119 1HA GLY 17 1HA GLY 17 -5.164 9.121 -2.510 120 2HA GLY 17 2HA GLY 17 -4.152 10.319 -3.296 121 H ARG 18 H ARG 18 -2.636 7.500 -1.984 122 HA ARG 18 HA ARG 18 -2.167 6.562 -4.733 123 1HB ARG 18 2HB ARG 18 -0.696 5.266 -2.508 124 2HB ARG 18 1HB ARG 18 -0.132 5.756 -4.093 125 1HG ARG 18 2HG ARG 18 0.423 7.870 -3.402 126 2HG ARG 18 1HG ARG 18 -0.748 7.855 -2.077 127 1HD ARG 18 2HD ARG 18 0.632 6.697 -0.677 128 2HD ARG 18 1HD ARG 18 1.473 5.888 -1.997 129 HE ARG 18 HE ARG 18 2.679 7.989 -2.370 130 1HH1 ARG 18 2HH1 ARG 18 0.960 7.619 0.666 131 2HH1 ARG 18 1HH1 ARG 18 2.056 8.640 1.552 132 1HH2 ARG 18 2HH2 ARG 18 4.109 9.365 -1.196 133 2HH2 ARG 18 1HH2 ARG 18 3.826 9.630 0.504 134 H THR 19 H THR 19 -3.836 5.295 -5.255 135 HA THR 19 HA THR 19 -5.172 3.521 -3.521 136 HB THR 19 HB THR 19 -5.189 2.707 -6.330 137 HG1 THR 19 1HG THR 19 -6.355 5.221 -6.064 138 1HG2 THR 19 1HG2 THR 19 -7.549 2.845 -6.061 139 2HG2 THR 19 2HG2 THR 19 -7.396 3.924 -4.678 140 3HG2 THR 19 3HG2 THR 19 -6.908 2.237 -4.533 141 H TYR 20 H TYR 20 -4.195 1.838 -2.568 142 HA TYR 20 HA TYR 20 -2.258 0.281 -4.138 143 1HB TYR 20 2HB TYR 20 -1.260 -0.416 -1.978 144 2HB TYR 20 1HB TYR 20 -1.164 1.318 -2.231 145 HD1 TYR 20 1HD TYR 20 -2.449 2.851 -0.840 146 HD2 TYR 20 2HD TYR 20 -2.664 -1.354 -0.234 147 HE1 TYR 20 1HE TYR 20 -3.500 3.226 1.349 148 HE2 TYR 20 2HE TYR 20 -3.715 -0.987 1.955 149 HH TYR 20 HH TYR 20 -4.582 2.266 3.064 150 H TYR 21 H TYR 21 -2.067 -2.006 -2.965 151 HA TYR 21 HA TYR 21 -4.798 -3.014 -2.576 152 1HB TYR 21 2HB TYR 21 -2.546 -4.245 -4.174 153 2HB TYR 21 1HB TYR 21 -3.948 -5.166 -3.635 154 HD1 TYR 21 1HD TYR 21 -6.191 -4.621 -4.493 155 HD2 TYR 21 2HD TYR 21 -2.711 -2.695 -6.009 156 HE1 TYR 21 1HE TYR 21 -7.481 -3.837 -6.429 157 HE2 TYR 21 2HE TYR 21 -4.001 -1.908 -7.949 158 HH TYR 21 HH TYR 21 -7.238 -1.781 -8.084 159 H VAL 22 H VAL 22 -5.064 -3.830 -0.660 160 HA VAL 22 HA VAL 22 -2.681 -4.553 0.881 161 HB VAL 22 HB VAL 22 -3.930 -2.849 1.971 162 1HG1 VAL 22 1HG1 VAL 22 -6.338 -4.564 1.489 163 2HG1 VAL 22 2HG1 VAL 22 -6.324 -3.265 2.682 164 3HG1 VAL 22 3HG1 VAL 22 -6.052 -2.900 0.977 165 1HG2 VAL 22 1HG2 VAL 22 -3.232 -4.034 3.751 166 2HG2 VAL 22 2HG2 VAL 22 -4.951 -4.372 3.952 167 3HG2 VAL 22 3HG2 VAL 22 -3.911 -5.543 3.141 168 H ASN 23 H ASN 23 -2.240 -6.622 0.774 169 HA ASN 23 HA ASN 23 -4.147 -8.683 0.395 170 1HB ASN 23 2HB ASN 23 -1.676 -8.838 -0.092 171 2HB ASN 23 1HB ASN 23 -1.405 -8.919 1.640 172 1HD2 ASN 23 1HD2 ASN 23 -0.414 -10.900 0.257 173 2HD2 ASN 23 2HD2 ASN 23 -1.341 -12.350 0.446 174 H HIS 24 H HIS 24 -5.240 -9.907 1.902 175 HA HIS 24 HA HIS 24 -5.257 -8.840 4.616 176 1HB HIS 24 2HB HIS 24 -7.110 -10.547 3.004 177 2HB HIS 24 1HB HIS 24 -7.207 -10.606 4.759 178 HD1 HIS 24 1HD HIS 24 -9.551 -9.557 4.717 179 HD2 HIS 24 2HD HIS 24 -6.581 -7.128 3.085 180 HE1 HIS 24 1HE HIS 24 -10.585 -7.274 4.484 181 HE2 HIS 24 2HE HIS 24 -8.840 -5.873 3.322 182 H ASN 25 H ASN 25 -3.847 -11.363 2.891 183 HA ASN 25 HA ASN 25 -3.888 -13.293 5.046 184 1HB ASN 25 2HB ASN 25 -3.438 -13.359 2.236 185 2HB ASN 25 1HB ASN 25 -2.003 -14.004 3.030 186 1HD2 ASN 25 1HD2 ASN 25 -4.855 -14.820 1.731 187 2HD2 ASN 25 2HD2 ASN 25 -5.185 -16.280 2.587 188 H ASN 26 H ASN 26 -1.026 -12.388 3.149 189 HA ASN 26 HA ASN 26 0.621 -12.363 5.498 190 1HB ASN 26 2HB ASN 26 2.032 -12.959 3.846 191 2HB ASN 26 1HB ASN 26 1.006 -12.260 2.601 192 1HD2 ASN 26 1HD2 ASN 26 3.588 -11.643 4.869 193 2HD2 ASN 26 2HD2 ASN 26 4.180 -10.209 4.090 194 H ARG 27 H ARG 27 -1.158 -10.071 3.690 195 HA ARG 27 HA ARG 27 -1.813 -7.967 4.127 196 1HB ARG 27 2HB ARG 27 -0.165 -8.116 6.648 197 2HB ARG 27 1HB ARG 27 -1.360 -6.887 6.248 198 1HG ARG 27 2HG ARG 27 -2.683 -9.341 5.999 199 2HG ARG 27 1HG ARG 27 -1.731 -9.441 7.482 200 1HD ARG 27 2HD ARG 27 -3.625 -7.205 6.769 201 2HD ARG 27 1HD ARG 27 -3.987 -8.532 7.872 202 HE ARG 27 HE ARG 27 -1.703 -6.778 8.443 203 1HH1 ARG 27 2HH1 ARG 27 -4.941 -7.842 9.219 204 2HH1 ARG 27 1HH1 ARG 27 -4.893 -7.228 10.845 205 1HH2 ARG 27 2HH2 ARG 27 -1.630 -5.953 10.580 206 2HH2 ARG 27 1HH2 ARG 27 -3.020 -6.138 11.616 207 H SER 28 H SER 28 0.116 -8.222 2.311 208 HA SER 28 HA SER 28 2.098 -6.180 2.708 209 1HB SER 28 2HB SER 28 1.768 -6.653 -0.043 210 2HB SER 28 1HB SER 28 2.990 -7.361 1.014 211 HG SER 28 HG SER 28 1.839 -9.168 1.198 212 H THR 29 H THR 29 1.631 -4.067 2.643 213 HA THR 29 HA THR 29 -0.793 -3.157 1.272 214 HB THR 29 HB THR 29 0.139 -0.908 2.399 215 HG1 THR 29 1HG THR 29 1.972 -1.643 3.356 216 1HG2 THR 29 1HG2 THR 29 -1.060 -2.780 4.362 217 2HG2 THR 29 2HG2 THR 29 -1.955 -2.519 2.865 218 3HG2 THR 29 3HG2 THR 29 -1.557 -1.150 3.904 219 H GLN 30 H GLN 30 0.378 -3.686 -0.784 220 HA GLN 30 HA GLN 30 2.510 -1.770 -1.430 221 1HB GLN 30 2HB GLN 30 2.968 -3.390 -3.331 222 2HB GLN 30 1HB GLN 30 3.307 -3.972 -1.708 223 1HG GLN 30 2HG GLN 30 1.441 -5.378 -1.712 224 2HG GLN 30 1HG GLN 30 0.697 -4.538 -3.055 225 1HE2 GLN 30 1HE2 GLN 30 0.886 -5.396 -4.897 226 2HE2 GLN 30 2HE2 GLN 30 2.031 -6.576 -5.378 227 H TRP 31 H TRP 31 2.282 -0.313 -3.017 228 HA TRP 31 HA TRP 31 -0.345 -0.092 -4.243 229 1HB TRP 31 2HB TRP 31 1.354 2.027 -5.108 230 2HB TRP 31 1HB TRP 31 -0.036 2.110 -4.038 231 HD1 TRP 31 HD TRP 31 3.750 1.275 -3.690 232 HE1 TRP 31 1HE TRP 31 4.571 2.265 -1.458 233 HE3 TRP 31 3HE TRP 31 -0.671 3.194 -2.001 234 HZ2 TRP 31 2HZ TRP 31 3.473 3.686 0.720 235 HZ3 TRP 31 3HZ TRP 31 -0.697 4.360 0.158 236 HH2 TRP 31 HH TRP 31 1.326 4.602 1.486 237 H HIS 32 H HIS 32 2.665 -1.363 -5.104 238 HA HIS 32 HA HIS 32 2.530 -0.636 -7.878 239 1HB HIS 32 2HB HIS 32 4.452 -1.968 -8.227 240 2HB HIS 32 1HB HIS 32 4.663 -1.219 -6.656 241 HD1 HIS 32 1HD HIS 32 4.717 -2.751 -4.611 242 HD2 HIS 32 2HD HIS 32 4.239 -4.756 -8.224 243 HE1 HIS 32 1HE HIS 32 5.150 -5.177 -4.108 244 HE2 HIS 32 2HE HIS 32 4.962 -6.355 -6.325 245 H ARG 33 H ARG 33 0.511 -2.409 -6.193 246 HA ARG 33 HA ARG 33 -1.107 -3.923 -6.661 247 1HB ARG 33 2HB ARG 33 -0.118 -3.558 -9.502 248 2HB ARG 33 1HB ARG 33 -1.537 -4.497 -9.060 249 1HG ARG 33 2HG ARG 33 -2.541 -2.539 -9.597 250 2HG ARG 33 1HG ARG 33 -2.249 -2.257 -7.883 251 1HD ARG 33 2HD ARG 33 -0.531 -0.766 -8.286 252 2HD ARG 33 1HD ARG 33 -0.196 -1.428 -9.886 253 HE ARG 33 HE ARG 33 -2.358 -0.379 -10.574 254 1HH1 ARG 33 2HH1 ARG 33 -0.577 0.885 -7.811 255 2HH1 ARG 33 1HH1 ARG 33 -1.235 2.492 -7.972 256 1HH2 ARG 33 2HH2 ARG 33 -3.191 1.748 -10.785 257 2HH2 ARG 33 1HH2 ARG 33 -2.704 2.971 -9.646 258 HA PRO 34 HA PRO 34 0.911 -7.769 -6.230 259 1HB PRO 34 2HB PRO 34 -1.270 -9.228 -7.512 260 2HB PRO 34 1HB PRO 34 -0.714 -9.301 -5.846 261 1HG PRO 34 2HG PRO 34 -3.056 -8.135 -6.564 262 2HG PRO 34 1HG PRO 34 -2.105 -7.610 -5.165 263 1HD PRO 34 2HD PRO 34 -2.383 -6.355 -7.850 264 2HD PRO 34 1HD PRO 34 -2.161 -5.590 -6.265 265 H SER 35 H SER 35 -0.272 -6.857 -9.261 266 HA SER 35 HA SER 35 2.087 -7.770 -10.591 267 1HB SER 35 2HB SER 35 -0.592 -8.962 -11.375 268 2HB SER 35 1HB SER 35 0.869 -9.065 -12.353 269 HG SER 35 HG SER 35 1.369 -9.868 -9.828 270 H LEU 36 H LEU 36 2.400 -6.650 -12.548 271 HA LEU 36 HA LEU 36 0.293 -4.703 -13.235 272 1HB LEU 36 2HB LEU 36 2.826 -4.103 -12.282 273 2HB LEU 36 1HB LEU 36 3.005 -3.946 -14.019 274 HG LEU 36 HG LEU 36 2.484 -1.795 -13.029 275 1HD1 LEU 36 1HD1 LEU 36 0.517 -3.096 -14.835 276 2HD1 LEU 36 2HD1 LEU 36 0.148 -1.486 -14.215 277 3HD1 LEU 36 3HD1 LEU 36 1.625 -1.758 -15.139 278 1HD2 LEU 36 1HD2 LEU 36 -0.112 -1.829 -12.211 279 2HD2 LEU 36 2HD2 LEU 36 0.480 -3.373 -11.599 280 3HD2 LEU 36 3HD2 LEU 36 1.288 -1.876 -11.139 Start of MODEL 3 1 1H GLY 1 1H GLY 1 -11.227 -14.683 -8.768 2 2H GLY 1 2H GLY 1 -10.373 -13.413 -9.498 3 3H GLY 1 3H GLY 1 -10.654 -14.847 -10.355 4 1HA GLY 1 2HA GLY 1 -13.027 -14.426 -10.360 5 2HA GLY 1 1HA GLY 1 -12.746 -12.947 -9.448 6 H SER 2 H SER 2 -13.892 -11.951 -11.281 7 HA SER 2 HA SER 2 -12.838 -11.926 -13.885 8 1HB SER 2 2HB SER 2 -14.329 -9.599 -12.685 9 2HB SER 2 1HB SER 2 -14.356 -10.184 -14.348 10 HG SER 2 HG SER 2 -15.360 -12.115 -13.522 11 HA PRO 3 HA PRO 3 -10.193 -8.105 -12.679 12 1HB PRO 3 2HB PRO 3 -10.397 -7.731 -9.800 13 2HB PRO 3 1HB PRO 3 -10.707 -6.567 -11.088 14 1HG PRO 3 2HG PRO 3 -12.666 -7.583 -9.501 15 2HG PRO 3 1HG PRO 3 -12.943 -7.064 -11.174 16 1HD PRO 3 2HD PRO 3 -12.551 -9.825 -10.083 17 2HD PRO 3 1HD PRO 3 -13.693 -9.254 -11.320 18 HA PRO 4 HA PRO 4 -7.330 -11.373 -11.523 19 1HB PRO 4 2HB PRO 4 -5.321 -9.387 -12.396 20 2HB PRO 4 1HB PRO 4 -5.588 -11.046 -12.939 21 1HG PRO 4 2HG PRO 4 -6.264 -8.962 -14.472 22 2HG PRO 4 1HG PRO 4 -7.255 -10.433 -14.424 23 1HD PRO 4 2HD PRO 4 -7.713 -7.795 -13.076 24 2HD PRO 4 1HD PRO 4 -8.881 -8.875 -13.867 25 H LEU 5 H LEU 5 -7.399 -11.411 -9.360 26 HA LEU 5 HA LEU 5 -5.412 -9.881 -7.908 27 1HB LEU 5 2HB LEU 5 -7.907 -8.853 -7.983 28 2HB LEU 5 1HB LEU 5 -8.084 -9.956 -6.633 29 HG LEU 5 HG LEU 5 -6.310 -8.833 -5.425 30 1HD1 LEU 5 1HD1 LEU 5 -5.360 -8.101 -7.875 31 2HD1 LEU 5 2HD1 LEU 5 -6.027 -6.585 -7.268 32 3HD1 LEU 5 3HD1 LEU 5 -4.806 -7.451 -6.331 33 1HD2 LEU 5 1HD2 LEU 5 -7.440 -6.369 -5.771 34 2HD2 LEU 5 2HD2 LEU 5 -8.695 -7.444 -6.385 35 3HD2 LEU 5 3HD2 LEU 5 -8.084 -7.650 -4.743 36 HA PRO 6 HA PRO 6 -5.134 -14.032 -6.186 37 1HB PRO 6 2HB PRO 6 -3.238 -12.674 -4.360 38 2HB PRO 6 1HB PRO 6 -2.993 -14.087 -5.392 39 1HG PRO 6 2HG PRO 6 -1.910 -11.731 -6.023 40 2HG PRO 6 1HG PRO 6 -2.562 -12.806 -7.275 41 1HD PRO 6 2HD PRO 6 -3.786 -10.355 -6.058 42 2HD PRO 6 1HD PRO 6 -3.762 -10.875 -7.756 43 HA PRO 7 HA PRO 7 -7.998 -13.902 -2.942 44 1HB PRO 7 2HB PRO 7 -6.491 -16.059 -1.579 45 2HB PRO 7 1HB PRO 7 -8.156 -16.045 -2.170 46 1HG PRO 7 2HG PRO 7 -6.262 -17.416 -3.451 47 2HG PRO 7 1HG PRO 7 -7.533 -16.553 -4.340 48 1HD PRO 7 2HD PRO 7 -4.681 -15.766 -3.870 49 2HD PRO 7 1HD PRO 7 -5.664 -15.609 -5.341 50 H GLY 8 H GLY 8 -7.908 -12.136 -1.693 51 1HA GLY 8 1HA GLY 8 -7.656 -11.799 0.798 52 2HA GLY 8 2HA GLY 8 -5.956 -12.153 0.525 53 H TRP 9 H TRP 9 -6.167 -10.659 -2.104 54 HA TRP 9 HA TRP 9 -5.134 -8.235 -1.027 55 1HB TRP 9 2HB TRP 9 -5.657 -9.228 -3.813 56 2HB TRP 9 1HB TRP 9 -5.112 -7.580 -3.519 57 HD1 TRP 9 HD TRP 9 -3.864 -11.116 -3.745 58 HE1 TRP 9 1HE TRP 9 -1.308 -11.151 -3.368 59 HE3 TRP 9 3HE TRP 9 -3.250 -6.343 -2.087 60 HZ2 TRP 9 2HZ TRP 9 0.698 -9.348 -2.466 61 HZ3 TRP 9 3HZ TRP 9 -1.002 -5.577 -1.474 62 HH2 TRP 9 HH TRP 9 0.934 -7.048 -1.657 63 H GLU 10 H GLU 10 -6.142 -6.426 -0.531 64 HA GLU 10 HA GLU 10 -8.862 -5.980 -1.579 65 1HB GLU 10 2HB GLU 10 -8.468 -6.440 0.937 66 2HB GLU 10 1HB GLU 10 -7.793 -4.818 0.983 67 1HG GLU 10 2HG GLU 10 -10.095 -4.279 -0.234 68 2HG GLU 10 1HG GLU 10 -10.587 -5.707 0.674 69 H GLU 11 H GLU 11 -9.413 -3.840 -2.193 70 HA GLU 11 HA GLU 11 -7.091 -2.270 -2.998 71 1HB GLU 11 2HB GLU 11 -9.045 -2.948 -4.541 72 2HB GLU 11 1HB GLU 11 -9.943 -1.672 -3.731 73 1HG GLU 11 2HG GLU 11 -8.194 -0.069 -4.404 74 2HG GLU 11 1HG GLU 11 -7.392 -1.365 -5.291 75 H LYS 12 H LYS 12 -6.449 -0.573 -1.877 76 HA LYS 12 HA LYS 12 -8.423 0.961 -0.328 77 1HB LYS 12 2HB LYS 12 -6.393 -0.709 0.752 78 2HB LYS 12 1HB LYS 12 -5.915 0.957 1.046 79 1HG LYS 12 2HG LYS 12 -7.400 1.168 2.674 80 2HG LYS 12 1HG LYS 12 -8.698 0.566 1.644 81 1HD LYS 12 2HD LYS 12 -7.778 -1.757 2.086 82 2HD LYS 12 1HD LYS 12 -6.796 -1.017 3.353 83 1HE LYS 12 2HE LYS 12 -8.855 -1.961 4.262 84 2HE LYS 12 1HE LYS 12 -8.813 -0.210 4.455 85 1HZ LYS 12 1HZ LYS 12 -10.898 -0.444 3.636 86 2HZ LYS 12 2HZ LYS 12 -10.534 -1.858 2.764 87 3HZ LYS 12 3HZ LYS 12 -10.076 -0.342 2.158 88 H VAL 13 H VAL 13 -8.115 3.166 -0.381 89 HA VAL 13 HA VAL 13 -5.661 4.104 -1.706 90 HB VAL 13 HB VAL 13 -8.418 5.009 -1.816 91 1HG1 VAL 13 1HG1 VAL 13 -7.840 7.451 -1.921 92 2HG1 VAL 13 2HG1 VAL 13 -7.890 6.750 -0.302 93 3HG1 VAL 13 3HG1 VAL 13 -6.339 7.047 -1.087 94 1HG2 VAL 13 1HG2 VAL 13 -6.126 6.089 -3.405 95 2HG2 VAL 13 2HG2 VAL 13 -6.718 4.445 -3.656 96 3HG2 VAL 13 3HG2 VAL 13 -7.797 5.819 -3.904 97 H ASP 14 H ASP 14 -4.276 5.492 -0.683 98 HA ASP 14 HA ASP 14 -4.504 5.528 2.212 99 1HB ASP 14 2HB ASP 14 -2.213 5.788 2.276 100 2HB ASP 14 1HB ASP 14 -2.395 4.953 0.737 101 H ASN 15 H ASN 15 -3.132 7.739 2.970 102 HA ASN 15 HA ASN 15 -5.124 9.760 2.790 103 1HB ASN 15 2HB ASN 15 -3.974 10.844 4.462 104 2HB ASN 15 1HB ASN 15 -3.401 9.200 4.695 105 1HD2 ASN 15 1HD2 ASN 15 -1.280 8.678 4.122 106 2HD2 ASN 15 2HD2 ASN 15 -0.078 9.894 3.866 107 H LEU 16 H LEU 16 -2.182 9.161 1.020 108 HA LEU 16 HA LEU 16 -1.995 11.872 0.025 109 1HB LEU 16 2HB LEU 16 -0.475 9.334 -0.414 110 2HB LEU 16 1HB LEU 16 -0.302 10.649 -1.561 111 HG LEU 16 HG LEU 16 0.136 11.075 1.381 112 1HD1 LEU 16 1HD1 LEU 16 2.072 10.063 -0.684 113 2HD1 LEU 16 2HD1 LEU 16 2.580 10.850 0.811 114 3HD1 LEU 16 3HD1 LEU 16 1.664 9.344 0.874 115 1HD2 LEU 16 1HD2 LEU 16 1.449 12.966 0.610 116 2HD2 LEU 16 2HD2 LEU 16 1.149 12.509 -1.068 117 3HD2 LEU 16 3HD2 LEU 16 -0.187 13.043 -0.048 118 H GLY 17 H GLY 17 -3.535 8.925 -0.899 119 1HA GLY 17 1HA GLY 17 -5.379 9.009 -2.436 120 2HA GLY 17 2HA GLY 17 -4.540 10.284 -3.311 121 H ARG 18 H ARG 18 -2.877 7.463 -2.164 122 HA ARG 18 HA ARG 18 -2.436 6.654 -4.955 123 1HB ARG 18 2HB ARG 18 -0.898 5.484 -2.656 124 2HB ARG 18 1HB ARG 18 -0.388 5.750 -4.312 125 1HG ARG 18 2HG ARG 18 0.060 7.997 -3.961 126 2HG ARG 18 1HG ARG 18 -0.943 8.067 -2.511 127 1HD ARG 18 2HD ARG 18 0.732 7.413 -1.187 128 2HD ARG 18 1HD ARG 18 1.241 6.150 -2.306 129 HE ARG 18 HE ARG 18 1.928 8.819 -3.147 130 1HH1 ARG 18 2HH1 ARG 18 2.935 6.040 -1.276 131 2HH1 ARG 18 1HH1 ARG 18 4.625 6.418 -1.376 132 1HH2 ARG 18 2HH2 ARG 18 4.148 9.344 -3.259 133 2HH2 ARG 18 1HH2 ARG 18 5.315 8.305 -2.488 134 H THR 19 H THR 19 -3.780 5.121 -5.631 135 HA THR 19 HA THR 19 -5.240 3.430 -3.896 136 HB THR 19 HB THR 19 -4.925 2.403 -6.612 137 HG1 THR 19 1HG THR 19 -4.974 4.244 -7.633 138 1HG2 THR 19 1HG2 THR 19 -6.785 1.995 -4.902 139 2HG2 THR 19 2HG2 THR 19 -7.274 2.314 -6.566 140 3HG2 THR 19 3HG2 THR 19 -7.385 3.591 -5.356 141 H TYR 20 H TYR 20 -4.206 1.965 -2.668 142 HA TYR 20 HA TYR 20 -2.208 0.290 -3.999 143 1HB TYR 20 2HB TYR 20 -1.102 -0.058 -1.897 144 2HB TYR 20 1HB TYR 20 -1.294 1.667 -2.143 145 HD1 TYR 20 1HD TYR 20 -2.247 -1.206 -0.112 146 HD2 TYR 20 2HD TYR 20 -2.826 2.966 -0.715 147 HE1 TYR 20 1HE TYR 20 -3.227 -1.021 2.129 148 HE2 TYR 20 2HE TYR 20 -3.807 3.156 1.528 149 HH TYR 20 HH TYR 20 -4.897 1.768 3.191 150 H TYR 21 H TYR 21 -1.996 -1.880 -2.926 151 HA TYR 21 HA TYR 21 -4.684 -2.898 -2.341 152 1HB TYR 21 2HB TYR 21 -2.476 -4.132 -3.994 153 2HB TYR 21 1HB TYR 21 -3.831 -5.069 -3.368 154 HD1 TYR 21 1HD TYR 21 -6.096 -4.692 -4.195 155 HD2 TYR 21 2HD TYR 21 -2.789 -2.566 -5.834 156 HE1 TYR 21 1HE TYR 21 -7.489 -4.002 -6.097 157 HE2 TYR 21 2HE TYR 21 -4.180 -1.869 -7.737 158 HH TYR 21 HH TYR 21 -7.417 -1.914 -7.766 159 H VAL 22 H VAL 22 -4.914 -4.019 -0.553 160 HA VAL 22 HA VAL 22 -2.489 -4.609 1.005 161 HB VAL 22 HB VAL 22 -3.658 -2.864 2.120 162 1HG1 VAL 22 1HG1 VAL 22 -5.996 -2.934 2.737 163 2HG1 VAL 22 2HG1 VAL 22 -5.823 -3.101 0.990 164 3HG1 VAL 22 3HG1 VAL 22 -6.170 -4.520 1.984 165 1HG2 VAL 22 1HG2 VAL 22 -3.409 -5.464 3.277 166 2HG2 VAL 22 2HG2 VAL 22 -3.197 -3.885 4.035 167 3HG2 VAL 22 3HG2 VAL 22 -4.791 -4.633 3.992 168 H ASN 23 H ASN 23 -2.112 -6.690 1.083 169 HA ASN 23 HA ASN 23 -4.058 -8.662 0.489 170 1HB ASN 23 2HB ASN 23 -1.456 -8.776 0.323 171 2HB ASN 23 1HB ASN 23 -1.548 -9.278 2.009 172 1HD2 ASN 23 1HD2 ASN 23 -0.567 -10.833 -0.149 173 2HD2 ASN 23 2HD2 ASN 23 -1.596 -12.216 -0.319 174 H HIS 24 H HIS 24 -5.349 -9.855 1.825 175 HA HIS 24 HA HIS 24 -5.323 -9.127 4.658 176 1HB HIS 24 2HB HIS 24 -7.355 -10.371 2.839 177 2HB HIS 24 1HB HIS 24 -7.484 -10.614 4.578 178 HD1 HIS 24 1HD HIS 24 -9.673 -9.241 4.659 179 HD2 HIS 24 2HD HIS 24 -6.371 -7.107 3.304 180 HE1 HIS 24 1HE HIS 24 -10.374 -6.826 4.677 181 HE2 HIS 24 2HE HIS 24 -8.461 -5.584 3.608 182 H ASN 25 H ASN 25 -4.042 -11.414 2.657 183 HA ASN 25 HA ASN 25 -4.241 -13.649 4.482 184 1HB ASN 25 2HB ASN 25 -3.699 -13.363 1.741 185 2HB ASN 25 1HB ASN 25 -2.203 -13.957 2.457 186 1HD2 ASN 25 1HD2 ASN 25 -5.005 -14.896 1.059 187 2HD2 ASN 25 2HD2 ASN 25 -5.157 -16.486 1.739 188 H ASN 26 H ASN 26 -1.510 -11.746 3.150 189 HA ASN 26 HA ASN 26 -0.067 -12.331 5.649 190 1HB ASN 26 2HB ASN 26 0.775 -13.004 3.190 191 2HB ASN 26 1HB ASN 26 1.452 -11.380 3.285 192 1HD2 ASN 26 1HD2 ASN 26 1.167 -14.325 5.230 193 2HD2 ASN 26 2HD2 ASN 26 2.766 -14.256 5.886 194 H ARG 27 H ARG 27 -1.745 -9.969 4.186 195 HA ARG 27 HA ARG 27 -1.984 -7.748 4.414 196 1HB ARG 27 2HB ARG 27 -0.450 -8.283 6.953 197 2HB ARG 27 1HB ARG 27 -1.260 -6.764 6.579 198 1HG ARG 27 2HG ARG 27 -3.341 -7.631 6.868 199 2HG ARG 27 1HG ARG 27 -2.855 -9.257 6.390 200 1HD ARG 27 2HD ARG 27 -1.839 -8.043 8.929 201 2HD ARG 27 1HD ARG 27 -3.435 -8.786 8.865 202 HE ARG 27 HE ARG 27 -0.867 -10.135 8.731 203 1HH1 ARG 27 2HH1 ARG 27 -4.334 -10.378 8.256 204 2HH1 ARG 27 1HH1 ARG 27 -4.347 -12.118 8.353 205 1HH2 ARG 27 2HH2 ARG 27 -0.881 -12.405 8.883 206 2HH2 ARG 27 1HH2 ARG 27 -2.389 -13.274 8.732 207 H SER 28 H SER 28 -0.138 -8.219 2.591 208 HA SER 28 HA SER 28 2.062 -6.377 3.013 209 1HB SER 28 2HB SER 28 1.513 -7.269 0.268 210 2HB SER 28 1HB SER 28 2.991 -7.412 1.222 211 HG SER 28 HG SER 28 2.244 -9.277 2.128 212 H THR 29 H THR 29 2.196 -4.328 1.994 213 HA THR 29 HA THR 29 -0.375 -3.329 0.938 214 HB THR 29 HB THR 29 0.616 -1.095 2.053 215 HG1 THR 29 1HG THR 29 2.419 -2.457 2.892 216 1HG2 THR 29 1HG2 THR 29 -1.178 -3.238 3.037 217 2HG2 THR 29 2HG2 THR 29 -1.514 -1.535 2.728 218 3HG2 THR 29 3HG2 THR 29 -0.678 -2.018 4.205 219 H GLN 30 H GLN 30 0.587 -3.715 -1.201 220 HA GLN 30 HA GLN 30 2.691 -1.778 -1.891 221 1HB GLN 30 2HB GLN 30 3.047 -3.122 -3.929 222 2HB GLN 30 1HB GLN 30 3.284 -4.059 -2.460 223 1HG GLN 30 2HG GLN 30 0.928 -4.875 -2.754 224 2HG GLN 30 1HG GLN 30 0.953 -4.149 -4.346 225 1HE2 GLN 30 1HE2 GLN 30 1.452 -5.459 -5.923 226 2HE2 GLN 30 2HE2 GLN 30 2.436 -6.876 -5.808 227 H TRP 31 H TRP 31 2.335 -0.186 -3.363 228 HA TRP 31 HA TRP 31 -0.373 0.048 -4.423 229 1HB TRP 31 2HB TRP 31 1.123 2.363 -5.109 230 2HB TRP 31 1HB TRP 31 -0.235 2.226 -4.015 231 HD1 TRP 31 HD TRP 31 3.552 1.417 -3.630 232 HE1 TRP 31 1HE TRP 31 4.346 2.473 -1.419 233 HE3 TRP 31 3HE TRP 31 -0.838 3.545 -2.147 234 HZ2 TRP 31 2HZ TRP 31 3.242 4.022 0.671 235 HZ3 TRP 31 3HZ TRP 31 -0.890 4.800 -0.040 236 HH2 TRP 31 HH TRP 31 1.105 5.041 1.334 237 H HIS 32 H HIS 32 1.865 -1.667 -5.556 238 HA HIS 32 HA HIS 32 1.849 -0.414 -8.221 239 1HB HIS 32 2HB HIS 32 3.630 -2.427 -8.577 240 2HB HIS 32 1HB HIS 32 4.070 -0.785 -8.144 241 HD1 HIS 32 1HD HIS 32 4.322 -4.249 -7.011 242 HD2 HIS 32 2HD HIS 32 4.674 -0.460 -5.345 243 HE1 HIS 32 1HE HIS 32 5.508 -4.581 -4.818 244 HE2 HIS 32 2HE HIS 32 5.973 -2.240 -4.001 245 H ARG 33 H ARG 33 0.029 -2.319 -6.564 246 HA ARG 33 HA ARG 33 -1.604 -3.807 -7.073 247 1HB ARG 33 2HB ARG 33 -1.503 -2.416 -9.266 248 2HB ARG 33 1HB ARG 33 -0.716 -3.835 -9.942 249 1HG ARG 33 2HG ARG 33 -2.634 -5.163 -9.637 250 2HG ARG 33 1HG ARG 33 -3.382 -3.974 -8.567 251 1HD ARG 33 2HD ARG 33 -3.956 -2.571 -10.299 252 2HD ARG 33 1HD ARG 33 -2.678 -3.174 -11.350 253 HE ARG 33 HE ARG 33 -5.280 -4.453 -10.865 254 1HH1 ARG 33 2HH1 ARG 33 -2.243 -4.351 -12.615 255 2HH1 ARG 33 1HH1 ARG 33 -2.796 -5.396 -13.886 256 1HH2 ARG 33 2HH2 ARG 33 -6.013 -5.814 -12.522 257 2HH2 ARG 33 1HH2 ARG 33 -4.957 -6.216 -13.846 258 HA PRO 34 HA PRO 34 0.704 -7.614 -7.113 259 1HB PRO 34 2HB PRO 34 -1.520 -9.204 -6.541 260 2HB PRO 34 1HB PRO 34 -0.463 -8.436 -5.362 261 1HG PRO 34 2HG PRO 34 -3.188 -7.831 -5.903 262 2HG PRO 34 1HG PRO 34 -2.100 -7.002 -4.785 263 1HD PRO 34 2HD PRO 34 -2.957 -6.226 -7.492 264 2HD PRO 34 1HD PRO 34 -2.318 -5.223 -6.175 265 H SER 35 H SER 35 0.732 -7.094 -9.526 266 HA SER 35 HA SER 35 -0.757 -9.177 -10.978 267 1HB SER 35 2HB SER 35 -0.468 -7.261 -12.879 268 2HB SER 35 1HB SER 35 -1.904 -7.422 -11.865 269 HG SER 35 HG SER 35 0.341 -5.818 -11.171 270 H LEU 36 H LEU 36 0.280 -9.896 -12.951 271 HA LEU 36 HA LEU 36 3.174 -9.800 -12.799 272 1HB LEU 36 2HB LEU 36 1.166 -11.513 -14.063 273 2HB LEU 36 1HB LEU 36 2.531 -11.171 -15.108 274 HG LEU 36 HG LEU 36 3.139 -13.154 -14.048 275 1HD1 LEU 36 1HD1 LEU 36 4.357 -10.755 -12.784 276 2HD1 LEU 36 2HD1 LEU 36 4.775 -12.347 -12.154 277 3HD1 LEU 36 3HD1 LEU 36 5.080 -11.962 -13.847 278 1HD2 LEU 36 1HD2 LEU 36 2.735 -13.732 -11.799 279 2HD2 LEU 36 2HD2 LEU 36 2.371 -12.066 -11.355 280 3HD2 LEU 36 3HD2 LEU 36 1.250 -12.974 -12.371 Start of MODEL 4 1 1H GLY 1 1H GLY 1 -3.256 -13.409 -19.481 2 2H GLY 1 2H GLY 1 -4.663 -12.935 -18.663 3 3H GLY 1 3H GLY 1 -3.172 -12.931 -17.855 4 1HA GLY 1 2HA GLY 1 -2.411 -11.242 -19.563 5 2HA GLY 1 1HA GLY 1 -4.118 -11.096 -19.974 6 H SER 2 H SER 2 -5.236 -9.609 -18.899 7 HA SER 2 HA SER 2 -4.106 -8.303 -16.591 8 1HB SER 2 2HB SER 2 -6.799 -7.491 -17.001 9 2HB SER 2 1HB SER 2 -5.328 -6.609 -17.415 10 HG SER 2 HG SER 2 -7.112 -7.695 -19.058 11 HA PRO 3 HA PRO 3 -6.335 -11.281 -14.037 12 1HB PRO 3 2HB PRO 3 -4.504 -10.801 -11.921 13 2HB PRO 3 1HB PRO 3 -4.484 -12.143 -13.065 14 1HG PRO 3 2HG PRO 3 -2.567 -10.131 -12.901 15 2HG PRO 3 1HG PRO 3 -2.813 -11.212 -14.284 16 1HD PRO 3 2HD PRO 3 -3.753 -8.404 -13.873 17 2HD PRO 3 1HD PRO 3 -3.170 -9.198 -15.354 18 HA PRO 4 HA PRO 4 -8.736 -8.446 -11.593 19 1HB PRO 4 2HB PRO 4 -9.853 -10.254 -9.869 20 2HB PRO 4 1HB PRO 4 -10.414 -9.996 -11.523 21 1HG PRO 4 2HG PRO 4 -8.639 -12.142 -10.436 22 2HG PRO 4 1HG PRO 4 -9.935 -12.263 -11.640 23 1HD PRO 4 2HD PRO 4 -7.309 -12.211 -12.308 24 2HD PRO 4 1HD PRO 4 -8.575 -11.539 -13.355 25 H LEU 5 H LEU 5 -8.268 -10.765 -9.026 26 HA LEU 5 HA LEU 5 -5.981 -9.458 -7.881 27 1HB LEU 5 2HB LEU 5 -8.361 -8.240 -7.420 28 2HB LEU 5 1HB LEU 5 -8.321 -9.377 -6.092 29 HG LEU 5 HG LEU 5 -6.430 -8.376 -5.139 30 1HD1 LEU 5 1HD1 LEU 5 -5.357 -8.189 -7.514 31 2HD1 LEU 5 2HD1 LEU 5 -5.956 -6.531 -7.419 32 3HD1 LEU 5 3HD1 LEU 5 -4.832 -7.132 -6.202 33 1HD2 LEU 5 1HD2 LEU 5 -8.513 -6.560 -6.116 34 2HD2 LEU 5 2HD2 LEU 5 -7.926 -6.840 -4.477 35 3HD2 LEU 5 3HD2 LEU 5 -7.031 -5.780 -5.569 36 HA PRO 6 HA PRO 6 -5.821 -13.629 -6.264 37 1HB PRO 6 2HB PRO 6 -3.735 -12.641 -4.442 38 2HB PRO 6 1HB PRO 6 -3.618 -13.845 -5.726 39 1HG PRO 6 2HG PRO 6 -2.482 -11.424 -5.961 40 2HG PRO 6 1HG PRO 6 -3.192 -12.263 -7.357 41 1HD PRO 6 2HD PRO 6 -4.354 -10.062 -5.680 42 2HD PRO 6 1HD PRO 6 -4.343 -10.245 -7.442 43 HA PRO 7 HA PRO 7 -8.287 -13.818 -2.653 44 1HB PRO 7 2HB PRO 7 -6.299 -15.723 -1.517 45 2HB PRO 7 1HB PRO 7 -8.045 -15.912 -1.730 46 1HG PRO 7 2HG PRO 7 -6.354 -17.142 -3.359 47 2HG PRO 7 1HG PRO 7 -7.843 -16.415 -3.987 48 1HD PRO 7 2HD PRO 7 -5.028 -15.419 -4.145 49 2HD PRO 7 1HD PRO 7 -6.326 -15.333 -5.353 50 H GLY 8 H GLY 8 -8.350 -12.158 -1.283 51 1HA GLY 8 1HA GLY 8 -7.893 -11.551 1.005 52 2HA GLY 8 2HA GLY 8 -6.225 -12.033 0.752 53 H TRP 9 H TRP 9 -6.530 -10.542 -1.965 54 HA TRP 9 HA TRP 9 -5.347 -8.129 -0.920 55 1HB TRP 9 2HB TRP 9 -5.856 -9.114 -3.720 56 2HB TRP 9 1HB TRP 9 -5.101 -7.561 -3.373 57 HD1 TRP 9 HD TRP 9 -4.457 -11.305 -3.259 58 HE1 TRP 9 1HE TRP 9 -1.939 -11.717 -2.940 59 HE3 TRP 9 3HE TRP 9 -2.986 -6.499 -2.389 60 HZ2 TRP 9 2HZ TRP 9 0.369 -10.190 -2.353 61 HZ3 TRP 9 3HZ TRP 9 -0.618 -6.066 -1.948 62 HH2 TRP 9 HH TRP 9 1.035 -7.861 -1.937 63 H GLU 10 H GLU 10 -6.160 -6.084 -0.942 64 HA GLU 10 HA GLU 10 -8.876 -5.706 -2.020 65 1HB GLU 10 2HB GLU 10 -8.026 -5.619 0.725 66 2HB GLU 10 1HB GLU 10 -8.585 -4.028 0.228 67 1HG GLU 10 2HG GLU 10 -10.727 -4.737 -0.119 68 2HG GLU 10 1HG GLU 10 -10.245 -6.402 -0.433 69 H GLU 11 H GLU 11 -9.201 -3.843 -3.114 70 HA GLU 11 HA GLU 11 -6.927 -2.082 -3.517 71 1HB GLU 11 2HB GLU 11 -8.658 -2.938 -5.290 72 2HB GLU 11 1HB GLU 11 -9.638 -1.604 -4.702 73 1HG GLU 11 2HG GLU 11 -7.747 -0.076 -5.204 74 2HG GLU 11 1HG GLU 11 -6.901 -1.439 -5.932 75 H LYS 12 H LYS 12 -6.572 -0.419 -2.236 76 HA LYS 12 HA LYS 12 -8.861 1.050 -1.110 77 1HB LYS 12 2HB LYS 12 -6.999 -0.543 0.332 78 2HB LYS 12 1HB LYS 12 -6.650 1.139 0.702 79 1HG LYS 12 2HG LYS 12 -8.419 1.299 2.019 80 2HG LYS 12 1HG LYS 12 -9.479 0.617 0.786 81 1HD LYS 12 2HD LYS 12 -9.462 -1.406 1.743 82 2HD LYS 12 1HD LYS 12 -7.713 -1.360 1.989 83 1HE LYS 12 2HE LYS 12 -8.276 -1.265 4.169 84 2HE LYS 12 1HE LYS 12 -8.520 0.448 3.829 85 1HZ LYS 12 1HZ LYS 12 -10.391 -0.578 5.016 86 2HZ LYS 12 2HZ LYS 12 -10.653 -1.619 3.695 87 3HZ LYS 12 3HZ LYS 12 -10.854 0.051 3.508 88 H VAL 13 H VAL 13 -8.043 3.224 -0.167 89 HA VAL 13 HA VAL 13 -5.705 4.165 -1.693 90 HB VAL 13 HB VAL 13 -8.378 5.325 -1.545 91 1HG1 VAL 13 1HG1 VAL 13 -6.063 7.185 -1.041 92 2HG1 VAL 13 2HG1 VAL 13 -7.744 7.649 -1.328 93 3HG1 VAL 13 3HG1 VAL 13 -7.307 6.773 0.145 94 1HG2 VAL 13 1HG2 VAL 13 -6.098 6.321 -3.197 95 2HG2 VAL 13 2HG2 VAL 13 -6.838 4.756 -3.539 96 3HG2 VAL 13 3HG2 VAL 13 -7.812 6.226 -3.603 97 H ASP 14 H ASP 14 -4.153 5.226 -0.583 98 HA ASP 14 HA ASP 14 -4.173 4.844 2.266 99 1HB ASP 14 2HB ASP 14 -1.897 5.044 2.162 100 2HB ASP 14 1HB ASP 14 -2.221 4.606 0.488 101 H ASN 15 H ASN 15 -2.825 6.763 3.416 102 HA ASN 15 HA ASN 15 -4.660 8.789 3.936 103 1HB ASN 15 2HB ASN 15 -3.291 8.846 5.702 104 2HB ASN 15 1HB ASN 15 -2.019 8.017 4.815 105 1HD2 ASN 15 1HD2 ASN 15 -0.324 9.177 4.012 106 2HD2 ASN 15 2HD2 ASN 15 -0.097 10.864 4.301 107 H LEU 16 H LEU 16 -1.950 8.706 1.688 108 HA LEU 16 HA LEU 16 -2.155 11.528 1.121 109 1HB LEU 16 2HB LEU 16 -0.238 9.468 0.748 110 2HB LEU 16 1HB LEU 16 -0.604 10.151 -0.825 111 HG LEU 16 HG LEU 16 0.739 11.866 -0.413 112 1HD1 LEU 16 1HD1 LEU 16 -1.095 12.288 1.910 113 2HD1 LEU 16 2HD1 LEU 16 0.332 13.302 1.691 114 3HD1 LEU 16 3HD1 LEU 16 -0.912 13.248 0.442 115 1HD2 LEU 16 1HD2 LEU 16 2.092 10.332 0.833 116 2HD2 LEU 16 2HD2 LEU 16 2.112 11.899 1.644 117 3HD2 LEU 16 3HD2 LEU 16 1.118 10.589 2.283 118 H GLY 17 H GLY 17 -2.960 8.475 -0.537 119 1HA GLY 17 1HA GLY 17 -5.240 8.744 -1.609 120 2HA GLY 17 2HA GLY 17 -4.515 10.104 -2.447 121 H ARG 18 H ARG 18 -2.623 7.212 -1.891 122 HA ARG 18 HA ARG 18 -2.737 6.691 -4.780 123 1HB ARG 18 2HB ARG 18 -0.879 5.451 -2.703 124 2HB ARG 18 1HB ARG 18 -0.868 5.124 -4.417 125 1HG ARG 18 2HG ARG 18 0.884 6.570 -4.121 126 2HG ARG 18 1HG ARG 18 -0.407 7.610 -4.729 127 1HD ARG 18 2HD ARG 18 -0.320 7.358 -1.817 128 2HD ARG 18 1HD ARG 18 1.126 8.086 -2.517 129 HE ARG 18 HE ARG 18 -1.609 9.118 -2.729 130 1HH1 ARG 18 2HH1 ARG 18 1.842 9.559 -3.154 131 2HH1 ARG 18 1HH1 ARG 18 1.712 11.278 -3.396 132 1HH2 ARG 18 2HH2 ARG 18 -1.762 11.396 -3.041 133 2HH2 ARG 18 1HH2 ARG 18 -0.313 12.311 -3.334 134 H THR 19 H THR 19 -3.878 5.039 -5.575 135 HA THR 19 HA THR 19 -5.469 3.458 -3.794 136 HB THR 19 HB THR 19 -5.248 2.692 -6.654 137 HG1 THR 19 1HG THR 19 -6.796 4.971 -6.148 138 1HG2 THR 19 1HG2 THR 19 -6.992 1.598 -5.605 139 2HG2 THR 19 2HG2 THR 19 -7.823 2.991 -6.297 140 3HG2 THR 19 3HG2 THR 19 -7.388 2.983 -4.586 141 H TYR 20 H TYR 20 -4.251 2.076 -2.606 142 HA TYR 20 HA TYR 20 -2.312 0.413 -4.028 143 1HB TYR 20 2HB TYR 20 -1.126 0.114 -1.990 144 2HB TYR 20 1HB TYR 20 -1.497 1.826 -2.098 145 HD1 TYR 20 1HD TYR 20 -3.735 2.544 -0.844 146 HD2 TYR 20 2HD TYR 20 -1.522 -0.999 -0.038 147 HE1 TYR 20 1HE TYR 20 -4.732 2.443 1.399 148 HE2 TYR 20 2HE TYR 20 -2.519 -1.114 2.206 149 HH TYR 20 HH TYR 20 -3.920 1.360 3.719 150 H TYR 21 H TYR 21 -1.997 -1.788 -3.053 151 HA TYR 21 HA TYR 21 -4.665 -2.987 -2.751 152 1HB TYR 21 2HB TYR 21 -2.207 -4.083 -4.154 153 2HB TYR 21 1HB TYR 21 -3.664 -5.014 -3.851 154 HD1 TYR 21 1HD TYR 21 -3.889 -1.468 -4.803 155 HD2 TYR 21 2HD TYR 21 -3.994 -5.471 -6.220 156 HE1 TYR 21 1HE TYR 21 -4.873 -0.685 -6.910 157 HE2 TYR 21 2HE TYR 21 -4.983 -4.698 -8.333 158 HH TYR 21 HH TYR 21 -6.379 -1.733 -8.727 159 H VAL 22 H VAL 22 -4.903 -3.506 -0.708 160 HA VAL 22 HA VAL 22 -2.575 -4.295 0.863 161 HB VAL 22 HB VAL 22 -3.860 -2.582 1.897 162 1HG1 VAL 22 1HG1 VAL 22 -5.957 -2.800 0.768 163 2HG1 VAL 22 2HG1 VAL 22 -6.260 -4.359 1.534 164 3HG1 VAL 22 3HG1 VAL 22 -6.240 -2.886 2.504 165 1HG2 VAL 22 1HG2 VAL 22 -4.681 -3.775 3.989 166 2HG2 VAL 22 2HG2 VAL 22 -4.218 -5.272 3.180 167 3HG2 VAL 22 3HG2 VAL 22 -3.001 -4.041 3.519 168 H ASN 23 H ASN 23 -2.116 -6.341 1.072 169 HA ASN 23 HA ASN 23 -4.020 -8.410 0.515 170 1HB ASN 23 2HB ASN 23 -1.661 -8.697 -0.035 171 2HB ASN 23 1HB ASN 23 -1.228 -8.527 1.659 172 1HD2 ASN 23 1HD2 ASN 23 -2.708 -10.578 -0.726 173 2HD2 ASN 23 2HD2 ASN 23 -2.624 -12.046 0.195 174 H HIS 24 H HIS 24 -5.073 -9.754 2.000 175 HA HIS 24 HA HIS 24 -5.046 -8.752 4.763 176 1HB HIS 24 2HB HIS 24 -7.149 -9.970 3.044 177 2HB HIS 24 1HB HIS 24 -7.244 -10.244 4.780 178 HD1 HIS 24 1HD HIS 24 -9.154 -8.762 5.398 179 HD2 HIS 24 2HD HIS 24 -6.302 -6.802 3.092 180 HE1 HIS 24 1HE HIS 24 -9.853 -6.349 5.363 181 HE2 HIS 24 2HE HIS 24 -8.278 -5.260 3.734 182 H ASN 25 H ASN 25 -3.806 -11.255 3.009 183 HA ASN 25 HA ASN 25 -4.234 -13.363 4.956 184 1HB ASN 25 2HB ASN 25 -3.580 -13.274 2.225 185 2HB ASN 25 1HB ASN 25 -2.139 -13.902 3.018 186 1HD2 ASN 25 1HD2 ASN 25 -5.608 -14.385 2.615 187 2HD2 ASN 25 2HD2 ASN 25 -5.583 -16.079 2.942 188 H ASN 26 H ASN 26 -1.252 -12.096 3.481 189 HA ASN 26 HA ASN 26 0.088 -12.366 6.082 190 1HB ASN 26 2HB ASN 26 0.994 -13.373 3.846 191 2HB ASN 26 1HB ASN 26 1.507 -11.721 3.512 192 1HD2 ASN 26 1HD2 ASN 26 3.665 -11.971 3.677 193 2HD2 ASN 26 2HD2 ASN 26 4.488 -12.460 5.129 194 H ARG 27 H ARG 27 -1.380 -10.137 4.127 195 HA ARG 27 HA ARG 27 -1.780 -7.938 4.351 196 1HB ARG 27 2HB ARG 27 -0.064 -8.026 6.829 197 2HB ARG 27 1HB ARG 27 -1.184 -6.749 6.368 198 1HG ARG 27 2HG ARG 27 -2.385 -9.415 6.508 199 2HG ARG 27 1HG ARG 27 -1.776 -8.794 8.045 200 1HD ARG 27 2HD ARG 27 -3.037 -6.608 7.057 201 2HD ARG 27 1HD ARG 27 -4.043 -7.901 6.402 202 HE ARG 27 HE ARG 27 -4.139 -8.710 8.807 203 1HH1 ARG 27 2HH1 ARG 27 -3.764 -5.333 7.950 204 2HH1 ARG 27 1HH1 ARG 27 -4.498 -4.749 9.411 205 1HH2 ARG 27 2HH2 ARG 27 -5.110 -7.941 10.723 206 2HH2 ARG 27 1HH2 ARG 27 -5.282 -6.237 10.979 207 H SER 28 H SER 28 0.284 -8.733 2.646 208 HA SER 28 HA SER 28 2.369 -6.804 2.720 209 1HB SER 28 2HB SER 28 1.627 -7.604 0.037 210 2HB SER 28 1HB SER 28 3.084 -8.000 0.952 211 HG SER 28 HG SER 28 2.266 -9.880 1.459 212 H THR 29 H THR 29 2.353 -4.689 2.057 213 HA THR 29 HA THR 29 -0.208 -3.682 0.990 214 HB THR 29 HB THR 29 0.760 -1.501 2.229 215 HG1 THR 29 1HG THR 29 2.388 -2.082 3.458 216 1HG2 THR 29 1HG2 THR 29 -1.389 -3.072 2.553 217 2HG2 THR 29 2HG2 THR 29 -0.986 -1.757 3.659 218 3HG2 THR 29 3HG2 THR 29 -0.550 -3.418 4.065 219 H GLN 30 H GLN 30 0.797 -3.952 -1.159 220 HA GLN 30 HA GLN 30 2.732 -1.822 -1.758 221 1HB GLN 30 2HB GLN 30 3.003 -3.046 -3.958 222 2HB GLN 30 1HB GLN 30 3.612 -3.872 -2.532 223 1HG GLN 30 2HG GLN 30 1.472 -5.172 -2.492 224 2HG GLN 30 1HG GLN 30 1.082 -4.450 -4.045 225 1HE2 GLN 30 1HE2 GLN 30 1.285 -5.998 -5.458 226 2HE2 GLN 30 2HE2 GLN 30 2.637 -7.064 -5.602 227 H TRP 31 H TRP 31 2.316 -0.373 -3.520 228 HA TRP 31 HA TRP 31 -0.503 0.100 -3.864 229 1HB TRP 31 2HB TRP 31 1.391 1.788 -5.377 230 2HB TRP 31 1HB TRP 31 -0.011 2.238 -4.425 231 HD1 TRP 31 HD TRP 31 3.624 1.159 -3.846 232 HE1 TRP 31 1HE TRP 31 4.519 2.333 -1.747 233 HE3 TRP 31 3HE TRP 31 -0.628 3.531 -2.459 234 HZ2 TRP 31 2HZ TRP 31 3.530 4.085 0.231 235 HZ3 TRP 31 3HZ TRP 31 -0.584 4.969 -0.475 236 HH2 TRP 31 HH TRP 31 1.448 5.233 0.857 237 H HIS 32 H HIS 32 1.309 -2.037 -5.317 238 HA HIS 32 HA HIS 32 0.076 -1.572 -7.945 239 1HB HIS 32 2HB HIS 32 2.082 -3.066 -8.765 240 2HB HIS 32 1HB HIS 32 2.277 -1.332 -8.562 241 HD1 HIS 32 1HD HIS 32 3.400 -4.611 -7.180 242 HD2 HIS 32 2HD HIS 32 3.955 -0.553 -6.447 243 HE1 HIS 32 1HE HIS 32 5.307 -4.468 -5.550 244 HE2 HIS 32 2HE HIS 32 5.775 -1.997 -5.315 245 H ARG 33 H ARG 33 -0.883 -3.288 -8.950 246 HA ARG 33 HA ARG 33 -1.917 -5.369 -7.394 247 1HB ARG 33 2HB ARG 33 -2.958 -4.502 -9.454 248 2HB ARG 33 1HB ARG 33 -1.660 -5.214 -10.401 249 1HG ARG 33 2HG ARG 33 -2.348 -7.439 -9.729 250 2HG ARG 33 1HG ARG 33 -3.607 -6.756 -8.697 251 1HD ARG 33 2HD ARG 33 -4.319 -7.606 -10.992 252 2HD ARG 33 1HD ARG 33 -4.852 -5.991 -10.527 253 HE ARG 33 HE ARG 33 -2.383 -5.951 -11.988 254 1HH1 ARG 33 2HH1 ARG 33 -5.869 -6.139 -12.318 255 2HH1 ARG 33 1HH1 ARG 33 -5.882 -5.465 -13.915 256 1HH2 ARG 33 2HH2 ARG 33 -2.386 -5.103 -14.101 257 2HH2 ARG 33 1HH2 ARG 33 -3.897 -4.892 -14.947 258 HA PRO 34 HA PRO 34 1.584 -8.119 -7.339 259 1HB PRO 34 2HB PRO 34 0.328 -10.145 -6.042 260 2HB PRO 34 1HB PRO 34 0.910 -8.687 -5.228 261 1HG PRO 34 2HG PRO 34 -1.849 -9.397 -6.114 262 2HG PRO 34 1HG PRO 34 -1.322 -8.598 -4.629 263 1HD PRO 34 2HD PRO 34 -2.376 -7.267 -6.745 264 2HD PRO 34 1HD PRO 34 -1.199 -6.545 -5.630 265 H SER 35 H SER 35 0.580 -8.100 -9.854 266 HA SER 35 HA SER 35 1.021 -10.769 -10.671 267 1HB SER 35 2HB SER 35 -1.426 -10.278 -12.008 268 2HB SER 35 1HB SER 35 -1.061 -11.585 -10.882 269 HG SER 35 HG SER 35 -1.675 -10.188 -9.183 270 H LEU 36 H LEU 36 -0.624 -7.952 -11.756 271 HA LEU 36 HA LEU 36 1.372 -7.200 -13.647 272 1HB LEU 36 2HB LEU 36 -0.154 -9.128 -14.645 273 2HB LEU 36 1HB LEU 36 -1.256 -7.796 -14.927 274 HG LEU 36 HG LEU 36 0.214 -6.744 -16.439 275 1HD1 LEU 36 1HD1 LEU 36 2.243 -7.581 -14.845 276 2HD1 LEU 36 2HD1 LEU 36 2.454 -8.628 -16.247 277 3HD1 LEU 36 3HD1 LEU 36 2.454 -6.876 -16.447 278 1HD2 LEU 36 1HD2 LEU 36 0.245 -9.726 -16.807 279 2HD2 LEU 36 2HD2 LEU 36 -0.871 -8.552 -17.504 280 3HD2 LEU 36 3HD2 LEU 36 0.809 -8.595 -18.036 Start of MODEL 5 1 1H GLY 1 1H GLY 1 2.953 -15.104 -8.528 2 2H GLY 1 2H GLY 1 1.545 -16.044 -8.442 3 3H GLY 1 3H GLY 1 2.171 -15.322 -7.041 4 1HA GLY 1 2HA GLY 1 0.547 -13.823 -7.487 5 2HA GLY 1 1HA GLY 1 1.860 -13.136 -8.436 6 H SER 2 H SER 2 -0.806 -12.618 -9.039 7 HA SER 2 HA SER 2 -1.019 -13.900 -11.659 8 1HB SER 2 2HB SER 2 -3.634 -13.462 -10.420 9 2HB SER 2 1HB SER 2 -3.013 -14.884 -11.264 10 HG SER 2 HG SER 2 -3.111 -14.331 -8.571 11 HA PRO 3 HA PRO 3 -1.714 -9.758 -13.133 12 1HB PRO 3 2HB PRO 3 -3.623 -11.094 -14.985 13 2HB PRO 3 1HB PRO 3 -2.301 -9.977 -15.340 14 1HG PRO 3 2HG PRO 3 -2.015 -12.573 -15.816 15 2HG PRO 3 1HG PRO 3 -0.677 -11.626 -15.140 16 1HD PRO 3 2HD PRO 3 -2.525 -13.537 -13.771 17 2HD PRO 3 1HD PRO 3 -0.784 -13.275 -13.524 18 HA PRO 4 HA PRO 4 -6.393 -9.459 -12.117 19 1HB PRO 4 2HB PRO 4 -7.443 -12.073 -11.456 20 2HB PRO 4 1HB PRO 4 -7.976 -10.964 -12.720 21 1HG PRO 4 2HG PRO 4 -6.764 -13.360 -13.222 22 2HG PRO 4 1HG PRO 4 -6.699 -11.969 -14.321 23 1HD PRO 4 2HD PRO 4 -4.650 -12.935 -12.361 24 2HD PRO 4 1HD PRO 4 -4.428 -12.310 -14.009 25 H LEU 5 H LEU 5 -7.411 -9.288 -10.023 26 HA LEU 5 HA LEU 5 -5.552 -9.414 -7.915 27 1HB LEU 5 2HB LEU 5 -7.919 -8.124 -8.378 28 2HB LEU 5 1HB LEU 5 -8.375 -9.280 -7.143 29 HG LEU 5 HG LEU 5 -6.748 -8.386 -5.610 30 1HD1 LEU 5 1HD1 LEU 5 -4.863 -7.564 -6.468 31 2HD1 LEU 5 2HD1 LEU 5 -5.613 -7.260 -8.034 32 3HD1 LEU 5 3HD1 LEU 5 -5.760 -6.070 -6.742 33 1HD2 LEU 5 1HD2 LEU 5 -7.549 -5.822 -5.912 34 2HD2 LEU 5 2HD2 LEU 5 -8.742 -6.659 -6.909 35 3HD2 LEU 5 3HD2 LEU 5 -8.551 -7.097 -5.211 36 HA PRO 6 HA PRO 6 -6.278 -13.721 -6.800 37 1HB PRO 6 2HB PRO 6 -4.137 -13.205 -4.861 38 2HB PRO 6 1HB PRO 6 -4.171 -14.348 -6.204 39 1HG PRO 6 2HG PRO 6 -2.606 -12.159 -6.241 40 2HG PRO 6 1HG PRO 6 -3.350 -12.812 -7.713 41 1HD PRO 6 2HD PRO 6 -4.220 -10.489 -6.025 42 2HD PRO 6 1HD PRO 6 -4.136 -10.627 -7.797 43 HA PRO 7 HA PRO 7 -8.722 -13.362 -3.105 44 1HB PRO 7 2HB PRO 7 -7.419 -15.848 -2.146 45 2HB PRO 7 1HB PRO 7 -9.132 -15.499 -2.396 46 1HG PRO 7 2HG PRO 7 -7.800 -17.080 -4.076 47 2HG PRO 7 1HG PRO 7 -9.025 -15.941 -4.670 48 1HD PRO 7 2HD PRO 7 -6.042 -15.726 -4.734 49 2HD PRO 7 1HD PRO 7 -7.230 -15.262 -5.970 50 H GLY 8 H GLY 8 -8.523 -12.442 -1.124 51 1HA GLY 8 1HA GLY 8 -7.474 -11.968 0.935 52 2HA GLY 8 2HA GLY 8 -5.970 -12.638 0.303 53 H TRP 9 H TRP 9 -6.973 -10.814 -2.147 54 HA TRP 9 HA TRP 9 -5.379 -8.531 -1.235 55 1HB TRP 9 2HB TRP 9 -6.044 -9.615 -3.961 56 2HB TRP 9 1HB TRP 9 -5.386 -7.998 -3.747 57 HD1 TRP 9 HD TRP 9 -4.378 -11.629 -3.814 58 HE1 TRP 9 1HE TRP 9 -1.814 -11.807 -3.561 59 HE3 TRP 9 3HE TRP 9 -3.381 -6.800 -2.533 60 HZ2 TRP 9 2HZ TRP 9 0.337 -10.097 -2.898 61 HZ3 TRP 9 3HZ TRP 9 -1.054 -6.148 -2.101 62 HH2 TRP 9 HH TRP 9 0.772 -7.753 -2.290 63 H GLU 10 H GLU 10 -6.159 -6.506 -1.147 64 HA GLU 10 HA GLU 10 -8.877 -5.995 -2.148 65 1HB GLU 10 2HB GLU 10 -8.832 -6.560 0.321 66 2HB GLU 10 1HB GLU 10 -7.888 -5.099 0.561 67 1HG GLU 10 2HG GLU 10 -9.954 -4.082 -0.802 68 2HG GLU 10 1HG GLU 10 -10.753 -5.439 -0.010 69 H GLU 11 H GLU 11 -9.137 -3.992 -3.055 70 HA GLU 11 HA GLU 11 -6.810 -2.324 -3.388 71 1HB GLU 11 2HB GLU 11 -8.720 -2.780 -5.080 72 2HB GLU 11 1HB GLU 11 -9.605 -1.556 -4.183 73 1HG GLU 11 2HG GLU 11 -7.688 0.000 -4.609 74 2HG GLU 11 1HG GLU 11 -7.029 -1.229 -5.688 75 H LYS 12 H LYS 12 -6.180 -0.941 -1.882 76 HA LYS 12 HA LYS 12 -8.222 0.406 -0.244 77 1HB LYS 12 2HB LYS 12 -5.936 -1.244 0.585 78 2HB LYS 12 1HB LYS 12 -6.090 0.266 1.457 79 1HG LYS 12 2HG LYS 12 -8.653 -0.692 1.475 80 2HG LYS 12 1HG LYS 12 -7.687 -2.162 1.614 81 1HD LYS 12 2HD LYS 12 -6.433 -1.065 3.479 82 2HD LYS 12 1HD LYS 12 -7.587 0.268 3.399 83 1HE LYS 12 2HE LYS 12 -8.008 -2.555 4.279 84 2HE LYS 12 1HE LYS 12 -8.477 -1.056 5.075 85 1HZ LYS 12 1HZ LYS 12 -9.936 -0.863 2.888 86 2HZ LYS 12 2HZ LYS 12 -10.485 -1.672 4.273 87 3HZ LYS 12 3HZ LYS 12 -9.843 -2.555 2.975 88 H VAL 13 H VAL 13 -7.977 2.546 -0.052 89 HA VAL 13 HA VAL 13 -5.710 3.730 -1.457 90 HB VAL 13 HB VAL 13 -8.479 4.432 -1.268 91 1HG1 VAL 13 1HG1 VAL 13 -7.960 6.973 -1.102 92 2HG1 VAL 13 2HG1 VAL 13 -8.242 6.033 0.367 93 3HG1 VAL 13 3HG1 VAL 13 -6.594 6.431 -0.126 94 1HG2 VAL 13 1HG2 VAL 13 -6.914 4.319 -3.259 95 2HG2 VAL 13 2HG2 VAL 13 -8.043 5.675 -3.205 96 3HG2 VAL 13 3HG2 VAL 13 -6.351 5.915 -2.765 97 H ASP 14 H ASP 14 -4.142 4.803 -0.494 98 HA ASP 14 HA ASP 14 -4.180 5.231 2.368 99 1HB ASP 14 2HB ASP 14 -2.081 4.521 1.440 100 2HB ASP 14 1HB ASP 14 -2.129 5.781 0.212 101 H ASN 15 H ASN 15 -3.800 7.407 3.290 102 HA ASN 15 HA ASN 15 -5.773 9.162 2.244 103 1HB ASN 15 2HB ASN 15 -5.402 10.533 4.155 104 2HB ASN 15 1HB ASN 15 -5.256 8.860 4.682 105 1HD2 ASN 15 1HD2 ASN 15 -3.745 11.896 4.469 106 2HD2 ASN 15 2HD2 ASN 15 -2.207 11.430 5.117 107 H LEU 16 H LEU 16 -2.478 8.859 1.481 108 HA LEU 16 HA LEU 16 -2.115 11.601 0.647 109 1HB LEU 16 2HB LEU 16 -0.448 9.403 0.996 110 2HB LEU 16 1HB LEU 16 -0.480 9.632 -0.742 111 HG LEU 16 HG LEU 16 -0.074 12.190 0.192 112 1HD1 LEU 16 1HD1 LEU 16 0.800 10.287 2.208 113 2HD1 LEU 16 2HD1 LEU 16 2.101 11.335 1.637 114 3HD1 LEU 16 3HD1 LEU 16 0.626 12.041 2.301 115 1HD2 LEU 16 1HD2 LEU 16 2.454 11.033 -0.266 116 2HD2 LEU 16 2HD2 LEU 16 1.306 10.179 -1.296 117 3HD2 LEU 16 3HD2 LEU 16 1.449 11.933 -1.403 118 H GLY 17 H GLY 17 -3.945 9.049 -0.470 119 1HA GLY 17 1HA GLY 17 -5.387 9.164 -2.322 120 2HA GLY 17 2HA GLY 17 -4.337 10.379 -3.044 121 H ARG 18 H ARG 18 -3.174 7.351 -1.733 122 HA ARG 18 HA ARG 18 -2.451 6.557 -4.472 123 1HB ARG 18 2HB ARG 18 -0.975 5.148 -2.385 124 2HB ARG 18 1HB ARG 18 -0.380 5.993 -3.800 125 1HG ARG 18 2HG ARG 18 -1.261 7.931 -1.920 126 2HG ARG 18 1HG ARG 18 -0.216 6.774 -1.095 127 1HD ARG 18 2HD ARG 18 1.165 8.529 -1.946 128 2HD ARG 18 1HD ARG 18 1.454 7.095 -2.931 129 HE ARG 18 HE ARG 18 -0.367 9.239 -3.818 130 1HH1 ARG 18 2HH1 ARG 18 2.374 7.123 -4.363 131 2HH1 ARG 18 1HH1 ARG 18 2.579 7.616 -6.021 132 1HH2 ARG 18 2HH2 ARG 18 -0.112 9.881 -5.998 133 2HH2 ARG 18 1HH2 ARG 18 1.169 9.181 -6.953 134 H THR 19 H THR 19 -4.014 5.231 -5.111 135 HA THR 19 HA THR 19 -5.346 3.357 -3.463 136 HB THR 19 HB THR 19 -5.185 2.692 -6.325 137 HG1 THR 19 1HG THR 19 -6.593 4.662 -6.717 138 1HG2 THR 19 1HG2 THR 19 -6.885 1.982 -4.485 139 2HG2 THR 19 2HG2 THR 19 -7.469 2.341 -6.109 140 3HG2 THR 19 3HG2 THR 19 -7.635 3.542 -4.828 141 H TYR 20 H TYR 20 -3.912 2.012 -2.389 142 HA TYR 20 HA TYR 20 -2.136 0.443 -4.088 143 1HB TYR 20 2HB TYR 20 -0.913 -0.192 -2.081 144 2HB TYR 20 1HB TYR 20 -1.033 1.554 -2.190 145 HD1 TYR 20 1HD TYR 20 -2.395 2.815 -0.595 146 HD2 TYR 20 2HD TYR 20 -2.005 -1.412 -0.288 147 HE1 TYR 20 1HE TYR 20 -3.245 2.909 1.708 148 HE2 TYR 20 2HE TYR 20 -2.860 -1.327 2.012 149 HH TYR 20 HH TYR 20 -3.278 1.674 3.708 150 H TYR 21 H TYR 21 -1.825 -1.862 -3.151 151 HA TYR 21 HA TYR 21 -4.524 -2.956 -2.806 152 1HB TYR 21 2HB TYR 21 -2.240 -3.962 -4.512 153 2HB TYR 21 1HB TYR 21 -3.644 -4.951 -4.103 154 HD1 TYR 21 1HD TYR 21 -5.609 -4.787 -5.368 155 HD2 TYR 21 2HD TYR 21 -2.683 -1.720 -5.697 156 HE1 TYR 21 1HE TYR 21 -6.890 -3.769 -7.202 157 HE2 TYR 21 2HE TYR 21 -3.953 -0.696 -7.536 158 HH TYR 21 HH TYR 21 -6.997 -1.139 -8.134 159 H VAL 22 H VAL 22 -4.778 -3.836 -0.968 160 HA VAL 22 HA VAL 22 -2.419 -4.554 0.613 161 HB VAL 22 HB VAL 22 -3.960 -2.731 1.407 162 1HG1 VAL 22 1HG1 VAL 22 -6.101 -3.126 2.177 163 2HG1 VAL 22 2HG1 VAL 22 -6.031 -4.041 0.671 164 3HG1 VAL 22 3HG1 VAL 22 -5.868 -4.874 2.217 165 1HG2 VAL 22 1HG2 VAL 22 -3.622 -3.200 3.608 166 2HG2 VAL 22 2HG2 VAL 22 -4.068 -4.900 3.432 167 3HG2 VAL 22 3HG2 VAL 22 -2.496 -4.335 2.860 168 H ASN 23 H ASN 23 -2.126 -6.597 1.274 169 HA ASN 23 HA ASN 23 -4.154 -8.569 0.640 170 1HB ASN 23 2HB ASN 23 -1.605 -8.931 0.399 171 2HB ASN 23 1HB ASN 23 -1.611 -9.151 2.147 172 1HD2 ASN 23 1HD2 ASN 23 -2.150 -10.595 -0.864 173 2HD2 ASN 23 2HD2 ASN 23 -2.761 -12.111 -0.299 174 H HIS 24 H HIS 24 -5.111 -9.945 2.270 175 HA HIS 24 HA HIS 24 -5.401 -8.495 4.806 176 1HB HIS 24 2HB HIS 24 -7.227 -10.200 3.180 177 2HB HIS 24 1HB HIS 24 -7.474 -10.134 4.924 178 HD1 HIS 24 1HD HIS 24 -9.627 -8.778 4.860 179 HD2 HIS 24 2HD HIS 24 -6.452 -6.955 2.883 180 HE1 HIS 24 1HE HIS 24 -10.393 -6.430 4.366 181 HE2 HIS 24 2HE HIS 24 -8.541 -5.408 2.998 182 H ASN 25 H ASN 25 -4.384 -11.508 3.461 183 HA ASN 25 HA ASN 25 -4.336 -12.745 6.114 184 1HB ASN 25 2HB ASN 25 -4.861 -14.628 5.035 185 2HB ASN 25 1HB ASN 25 -4.897 -13.728 3.526 186 1HD2 ASN 25 1HD2 ASN 25 -3.237 -13.927 2.099 187 2HD2 ASN 25 2HD2 ASN 25 -1.969 -15.082 2.274 188 H ASN 26 H ASN 26 -2.223 -11.678 3.513 189 HA ASN 26 HA ASN 26 0.116 -12.260 5.198 190 1HB ASN 26 2HB ASN 26 0.024 -12.909 2.713 191 2HB ASN 26 1HB ASN 26 0.193 -11.191 2.378 192 1HD2 ASN 26 1HD2 ASN 26 1.706 -13.988 3.825 193 2HD2 ASN 26 2HD2 ASN 26 3.331 -13.372 3.795 194 H ARG 27 H ARG 27 -1.877 -9.761 4.002 195 HA ARG 27 HA ARG 27 -1.994 -7.535 4.252 196 1HB ARG 27 2HB ARG 27 -0.220 -7.863 6.663 197 2HB ARG 27 1HB ARG 27 -1.391 -6.587 6.341 198 1HG ARG 27 2HG ARG 27 -2.371 -9.388 6.462 199 2HG ARG 27 1HG ARG 27 -1.947 -8.571 7.969 200 1HD ARG 27 2HD ARG 27 -3.625 -7.093 6.019 201 2HD ARG 27 1HD ARG 27 -4.373 -8.419 6.906 202 HE ARG 27 HE ARG 27 -3.268 -5.954 8.064 203 1HH1 ARG 27 2HH1 ARG 27 -5.057 -8.940 8.415 204 2HH1 ARG 27 1HH1 ARG 27 -5.708 -8.530 9.972 205 1HH2 ARG 27 2HH2 ARG 27 -4.136 -5.374 10.097 206 2HH2 ARG 27 1HH2 ARG 27 -5.209 -6.476 10.921 207 H SER 28 H SER 28 -0.149 -8.208 2.378 208 HA SER 28 HA SER 28 2.084 -6.401 2.674 209 1HB SER 28 2HB SER 28 1.465 -7.137 -0.058 210 2HB SER 28 1HB SER 28 2.876 -7.564 0.914 211 HG SER 28 HG SER 28 2.064 -9.484 1.104 212 H THR 29 H THR 29 2.230 -4.340 1.695 213 HA THR 29 HA THR 29 -0.327 -3.266 0.700 214 HB THR 29 HB THR 29 0.161 -1.144 1.897 215 HG1 THR 29 1HG THR 29 2.481 -1.714 2.141 216 1HG2 THR 29 1HG2 THR 29 -1.419 -2.494 2.975 217 2HG2 THR 29 2HG2 THR 29 -0.249 -2.102 4.238 218 3HG2 THR 29 3HG2 THR 29 -0.206 -3.684 3.456 219 H GLN 30 H GLN 30 0.588 -3.559 -1.398 220 HA GLN 30 HA GLN 30 2.779 -1.715 -2.094 221 1HB GLN 30 2HB GLN 30 2.676 -3.082 -4.316 222 2HB GLN 30 1HB GLN 30 3.469 -3.780 -2.914 223 1HG GLN 30 2HG GLN 30 2.203 -5.564 -3.252 224 2HG GLN 30 1HG GLN 30 0.865 -4.605 -2.647 225 1HE2 GLN 30 1HE2 GLN 30 2.172 -6.220 -5.281 226 2HE2 GLN 30 2HE2 GLN 30 0.971 -5.808 -6.434 227 H TRP 31 H TRP 31 2.467 -0.168 -3.718 228 HA TRP 31 HA TRP 31 -0.327 0.202 -4.472 229 1HB TRP 31 2HB TRP 31 1.235 2.433 -5.302 230 2HB TRP 31 1HB TRP 31 -0.035 2.371 -4.111 231 HD1 TRP 31 HD TRP 31 3.724 1.631 -4.210 232 HE1 TRP 31 1HE TRP 31 4.780 2.471 -2.011 233 HE3 TRP 31 3HE TRP 31 -0.495 3.300 -1.929 234 HZ2 TRP 31 2HZ TRP 31 3.901 3.707 0.375 235 HZ3 TRP 31 3HZ TRP 31 -0.318 4.316 0.301 236 HH2 TRP 31 HH TRP 31 1.832 4.517 1.425 237 H HIS 32 H HIS 32 1.568 -1.688 -5.831 238 HA HIS 32 HA HIS 32 1.452 -0.399 -8.480 239 1HB HIS 32 2HB HIS 32 3.362 -1.618 -9.210 240 2HB HIS 32 1HB HIS 32 3.766 -0.878 -7.670 241 HD1 HIS 32 1HD HIS 32 4.356 -2.406 -5.738 242 HD2 HIS 32 2HD HIS 32 3.192 -4.456 -9.167 243 HE1 HIS 32 1HE HIS 32 4.967 -4.813 -5.333 244 HE2 HIS 32 2HE HIS 32 4.487 -5.971 -7.519 245 H ARG 33 H ARG 33 -0.005 -2.659 -6.626 246 HA ARG 33 HA ARG 33 -1.640 -4.162 -7.038 247 1HB ARG 33 2HB ARG 33 -2.249 -2.478 -8.834 248 2HB ARG 33 1HB ARG 33 -1.388 -3.504 -9.972 249 1HG ARG 33 2HG ARG 33 -2.907 -5.333 -9.516 250 2HG ARG 33 1HG ARG 33 -3.738 -4.363 -8.300 251 1HD ARG 33 2HD ARG 33 -5.086 -4.187 -10.204 252 2HD ARG 33 1HD ARG 33 -4.164 -2.686 -10.176 253 HE ARG 33 HE ARG 33 -3.180 -3.291 -12.147 254 1HH1 ARG 33 2HH1 ARG 33 -4.662 -6.124 -10.724 255 2HH1 ARG 33 1HH1 ARG 33 -4.379 -7.134 -12.106 256 1HH2 ARG 33 2HH2 ARG 33 -2.820 -4.600 -13.982 257 2HH2 ARG 33 1HH2 ARG 33 -3.352 -6.259 -13.973 258 HA PRO 34 HA PRO 34 0.641 -7.898 -7.920 259 1HB PRO 34 2HB PRO 34 -2.069 -9.094 -7.977 260 2HB PRO 34 1HB PRO 34 -0.669 -9.528 -6.990 261 1HG PRO 34 2HG PRO 34 -2.778 -8.256 -5.936 262 2HG PRO 34 1HG PRO 34 -1.125 -7.911 -5.397 263 1HD PRO 34 2HD PRO 34 -2.902 -6.329 -7.208 264 2HD PRO 34 1HD PRO 34 -1.750 -5.766 -5.979 265 H SER 35 H SER 35 1.367 -7.821 -9.978 266 HA SER 35 HA SER 35 -0.406 -8.888 -12.032 267 1HB SER 35 2HB SER 35 1.137 -6.968 -13.393 268 2HB SER 35 1HB SER 35 -0.598 -6.907 -13.090 269 HG SER 35 HG SER 35 0.421 -6.100 -10.871 270 H LEU 36 H LEU 36 1.135 -9.131 -14.141 271 HA LEU 36 HA LEU 36 3.696 -10.203 -13.161 272 1HB LEU 36 2HB LEU 36 1.607 -11.429 -14.784 273 2HB LEU 36 1HB LEU 36 3.178 -11.503 -15.555 274 HG LEU 36 HG LEU 36 3.185 -13.482 -14.397 275 1HD1 LEU 36 1HD1 LEU 36 4.251 -11.464 -12.433 276 2HD1 LEU 36 2HD1 LEU 36 4.487 -13.206 -12.293 277 3HD1 LEU 36 3HD1 LEU 36 5.150 -12.336 -13.674 278 1HD2 LEU 36 1HD2 LEU 36 2.283 -13.534 -11.965 279 2HD2 LEU 36 2HD2 LEU 36 1.459 -12.045 -12.431 280 3HD2 LEU 36 3HD2 LEU 36 1.149 -13.539 -13.315 Start of MODEL 6 1 1H GLY 1 1H GLY 1 3.109 -12.827 -18.085 2 2H GLY 1 2H GLY 1 3.228 -14.229 -17.137 3 3H GLY 1 3H GLY 1 4.608 -13.297 -17.453 4 1HA GLY 1 2HA GLY 1 3.106 -13.117 -15.225 5 2HA GLY 1 1HA GLY 1 4.215 -11.884 -15.808 6 H SER 2 H SER 2 0.890 -12.939 -15.705 7 HA SER 2 HA SER 2 -0.044 -10.225 -15.657 8 1HB SER 2 2HB SER 2 -0.732 -12.004 -18.011 9 2HB SER 2 1HB SER 2 -1.629 -10.545 -17.589 10 HG SER 2 HG SER 2 1.074 -10.134 -17.725 11 HA PRO 3 HA PRO 3 -2.675 -13.454 -13.608 12 1HB PRO 3 2HB PRO 3 -1.879 -13.222 -11.059 13 2HB PRO 3 1HB PRO 3 -0.963 -14.171 -12.235 14 1HG PRO 3 2HG PRO 3 -0.347 -11.529 -11.053 15 2HG PRO 3 1HG PRO 3 0.750 -12.762 -11.693 16 1HD PRO 3 2HD PRO 3 -0.184 -10.400 -13.001 17 2HD PRO 3 1HD PRO 3 0.854 -11.671 -13.672 18 HA PRO 4 HA PRO 4 -5.629 -10.384 -12.244 19 1HB PRO 4 2HB PRO 4 -7.512 -12.078 -11.286 20 2HB PRO 4 1HB PRO 4 -7.260 -11.816 -13.015 21 1HG PRO 4 2HG PRO 4 -6.306 -14.056 -11.282 22 2HG PRO 4 1HG PRO 4 -6.982 -14.118 -12.920 23 1HD PRO 4 2HD PRO 4 -4.313 -14.263 -12.410 24 2HD PRO 4 1HD PRO 4 -4.976 -13.561 -13.901 25 H LEU 5 H LEU 5 -6.621 -9.677 -10.244 26 HA LEU 5 HA LEU 5 -4.830 -9.819 -8.068 27 1HB LEU 5 2HB LEU 5 -6.547 -7.989 -8.737 28 2HB LEU 5 1HB LEU 5 -7.681 -8.936 -7.793 29 HG LEU 5 HG LEU 5 -5.960 -8.740 -5.889 30 1HD1 LEU 5 1HD1 LEU 5 -4.548 -7.408 -7.911 31 2HD1 LEU 5 2HD1 LEU 5 -5.064 -6.166 -6.768 32 3HD1 LEU 5 3HD1 LEU 5 -4.120 -7.545 -6.205 33 1HD2 LEU 5 1HD2 LEU 5 -7.764 -7.550 -5.288 34 2HD2 LEU 5 2HD2 LEU 5 -6.795 -6.152 -5.749 35 3HD2 LEU 5 3HD2 LEU 5 -7.949 -6.839 -6.891 36 HA PRO 6 HA PRO 6 -6.334 -13.687 -6.329 37 1HB PRO 6 2HB PRO 6 -4.502 -12.873 -4.151 38 2HB PRO 6 1HB PRO 6 -4.552 -14.375 -5.080 39 1HG PRO 6 2HG PRO 6 -2.625 -12.572 -5.490 40 2HG PRO 6 1HG PRO 6 -3.327 -13.491 -6.833 41 1HD PRO 6 2HD PRO 6 -3.851 -10.667 -5.991 42 2HD PRO 6 1HD PRO 6 -3.678 -11.344 -7.625 43 HA PRO 7 HA PRO 7 -9.436 -12.137 -3.735 44 1HB PRO 7 2HB PRO 7 -9.568 -14.652 -2.243 45 2HB PRO 7 1HB PRO 7 -10.729 -13.972 -3.386 46 1HG PRO 7 2HG PRO 7 -9.238 -16.143 -3.972 47 2HG PRO 7 1HG PRO 7 -9.721 -14.963 -5.205 48 1HD PRO 7 2HD PRO 7 -7.095 -15.251 -3.784 49 2HD PRO 7 1HD PRO 7 -7.412 -14.926 -5.501 50 H GLY 8 H GLY 8 -6.490 -12.978 -2.398 51 1HA GLY 8 1HA GLY 8 -7.237 -12.171 0.313 52 2HA GLY 8 2HA GLY 8 -5.646 -12.736 -0.205 53 H TRP 9 H TRP 9 -7.160 -10.379 -2.205 54 HA TRP 9 HA TRP 9 -5.428 -8.308 -1.025 55 1HB TRP 9 2HB TRP 9 -5.933 -8.977 -3.916 56 2HB TRP 9 1HB TRP 9 -5.241 -7.439 -3.410 57 HD1 TRP 9 HD TRP 9 -4.410 -11.138 -3.753 58 HE1 TRP 9 1HE TRP 9 -1.855 -11.437 -3.472 59 HE3 TRP 9 3HE TRP 9 -3.208 -6.426 -2.216 60 HZ2 TRP 9 2HZ TRP 9 0.373 -9.842 -2.698 61 HZ3 TRP 9 3HZ TRP 9 -0.871 -5.897 -1.717 62 HH2 TRP 9 HH TRP 9 0.886 -7.570 -1.952 63 H GLU 10 H GLU 10 -6.161 -6.186 -1.031 64 HA GLU 10 HA GLU 10 -8.873 -5.701 -2.054 65 1HB GLU 10 2HB GLU 10 -8.895 -6.168 0.409 66 2HB GLU 10 1HB GLU 10 -7.875 -4.754 0.633 67 1HG GLU 10 2HG GLU 10 -9.571 -3.306 0.283 68 2HG GLU 10 1HG GLU 10 -10.379 -4.358 -0.877 69 H GLU 11 H GLU 11 -9.138 -3.740 -3.045 70 HA GLU 11 HA GLU 11 -6.792 -2.033 -3.288 71 1HB GLU 11 2HB GLU 11 -8.481 -2.697 -5.176 72 2HB GLU 11 1HB GLU 11 -9.453 -1.388 -4.515 73 1HG GLU 11 2HG GLU 11 -7.908 0.236 -5.112 74 2HG GLU 11 1HG GLU 11 -6.587 -0.926 -5.226 75 H LYS 12 H LYS 12 -6.419 -0.508 -1.847 76 HA LYS 12 HA LYS 12 -8.691 0.988 -0.725 77 1HB LYS 12 2HB LYS 12 -6.389 -0.253 0.788 78 2HB LYS 12 1HB LYS 12 -7.346 1.063 1.450 79 1HG LYS 12 2HG LYS 12 -9.374 -0.435 1.034 80 2HG LYS 12 1HG LYS 12 -8.202 -1.740 0.829 81 1HD LYS 12 2HD LYS 12 -7.257 -0.872 3.102 82 2HD LYS 12 1HD LYS 12 -8.854 -0.140 3.274 83 1HE LYS 12 2HE LYS 12 -9.533 -2.645 2.518 84 2HE LYS 12 1HE LYS 12 -8.033 -2.968 3.384 85 1HZ LYS 12 1HZ LYS 12 -8.974 -1.707 5.280 86 2HZ LYS 12 2HZ LYS 12 -9.843 -3.113 4.912 87 3HZ LYS 12 3HZ LYS 12 -10.445 -1.600 4.443 88 H VAL 13 H VAL 13 -8.143 3.141 -0.006 89 HA VAL 13 HA VAL 13 -5.773 4.219 -1.345 90 HB VAL 13 HB VAL 13 -8.261 5.501 -0.241 91 1HG1 VAL 13 1HG1 VAL 13 -5.585 6.702 -0.454 92 2HG1 VAL 13 2HG1 VAL 13 -6.895 7.630 -1.185 93 3HG1 VAL 13 3HG1 VAL 13 -6.973 7.187 0.521 94 1HG2 VAL 13 1HG2 VAL 13 -8.634 6.210 -2.431 95 2HG2 VAL 13 2HG2 VAL 13 -6.940 6.006 -2.881 96 3HG2 VAL 13 3HG2 VAL 13 -7.964 4.591 -2.631 97 H ASP 14 H ASP 14 -4.077 5.093 -0.248 98 HA ASP 14 HA ASP 14 -3.622 4.120 2.365 99 1HB ASP 14 2HB ASP 14 -1.457 5.160 2.203 100 2HB ASP 14 1HB ASP 14 -1.858 4.473 0.635 101 H ASN 15 H ASN 15 -3.869 7.452 1.189 102 HA ASN 15 HA ASN 15 -5.350 8.639 3.153 103 1HB ASN 15 2HB ASN 15 -4.056 9.112 4.974 104 2HB ASN 15 1HB ASN 15 -3.136 7.710 4.450 105 1HD2 ASN 15 1HD2 ASN 15 -1.235 8.125 3.083 106 2HD2 ASN 15 2HD2 ASN 15 -0.340 9.591 3.333 107 H LEU 16 H LEU 16 -2.531 8.766 1.108 108 HA LEU 16 HA LEU 16 -2.791 11.598 0.569 109 1HB LEU 16 2HB LEU 16 -0.729 9.778 0.429 110 2HB LEU 16 1HB LEU 16 -1.160 9.995 -1.256 111 HG LEU 16 HG LEU 16 -0.745 12.434 0.400 112 1HD1 LEU 16 1HD1 LEU 16 1.635 11.214 -0.883 113 2HD1 LEU 16 2HD1 LEU 16 1.525 12.297 0.504 114 3HD1 LEU 16 3HD1 LEU 16 1.131 10.588 0.686 115 1HD2 LEU 16 1HD2 LEU 16 -0.234 13.429 -1.619 116 2HD2 LEU 16 2HD2 LEU 16 0.263 11.910 -2.363 117 3HD2 LEU 16 3HD2 LEU 16 -1.450 12.243 -2.096 118 H GLY 17 H GLY 17 -3.557 8.526 -0.944 119 1HA GLY 17 1HA GLY 17 -5.641 8.757 -2.383 120 2HA GLY 17 2HA GLY 17 -4.707 9.979 -3.240 121 H ARG 18 H ARG 18 -2.823 7.427 -2.066 122 HA ARG 18 HA ARG 18 -2.457 6.426 -4.784 123 1HB ARG 18 2HB ARG 18 -0.833 5.188 -2.661 124 2HB ARG 18 1HB ARG 18 -0.325 5.898 -4.185 125 1HG ARG 18 2HG ARG 18 -0.936 8.142 -2.903 126 2HG ARG 18 1HG ARG 18 -0.566 7.132 -1.505 127 1HD ARG 18 2HD ARG 18 1.440 8.241 -2.125 128 2HD ARG 18 1HD ARG 18 1.607 6.558 -2.614 129 HE ARG 18 HE ARG 18 1.950 7.317 -4.725 130 1HH1 ARG 18 2HH1 ARG 18 -0.033 9.710 -3.093 131 2HH1 ARG 18 1HH1 ARG 18 -0.116 10.764 -4.469 132 1HH2 ARG 18 2HH2 ARG 18 1.880 8.737 -6.510 133 2HH2 ARG 18 1HH2 ARG 18 0.985 10.226 -6.401 134 H THR 19 H THR 19 -4.008 4.993 -5.290 135 HA THR 19 HA THR 19 -5.275 3.306 -3.406 136 HB THR 19 HB THR 19 -5.498 2.282 -6.071 137 HG1 THR 19 1HG THR 19 -6.400 4.924 -6.094 138 1HG2 THR 19 1HG2 THR 19 -7.866 3.301 -5.686 139 2HG2 THR 19 2HG2 THR 19 -7.271 3.586 -4.050 140 3HG2 THR 19 3HG2 THR 19 -7.325 1.945 -4.696 141 H TYR 20 H TYR 20 -4.023 1.882 -2.370 142 HA TYR 20 HA TYR 20 -2.157 0.264 -3.944 143 1HB TYR 20 2HB TYR 20 -1.013 -0.252 -1.887 144 2HB TYR 20 1HB TYR 20 -1.214 1.485 -1.992 145 HD1 TYR 20 1HD TYR 20 -3.142 2.532 -0.650 146 HD2 TYR 20 2HD TYR 20 -1.724 -1.421 -0.003 147 HE1 TYR 20 1HE TYR 20 -4.143 2.548 1.594 148 HE2 TYR 20 2HE TYR 20 -2.721 -1.418 2.241 149 HH TYR 20 HH TYR 20 -4.330 1.469 3.541 150 H TYR 21 H TYR 21 -1.885 -1.986 -2.981 151 HA TYR 21 HA TYR 21 -4.566 -3.120 -2.591 152 1HB TYR 21 2HB TYR 21 -2.139 -4.253 -3.997 153 2HB TYR 21 1HB TYR 21 -3.556 -5.216 -3.589 154 HD1 TYR 21 1HD TYR 21 -2.105 -2.948 -5.958 155 HD2 TYR 21 2HD TYR 21 -5.793 -4.512 -4.543 156 HE1 TYR 21 1HE TYR 21 -3.210 -2.197 -8.022 157 HE2 TYR 21 2HE TYR 21 -6.907 -3.779 -6.602 158 HH TYR 21 HH TYR 21 -6.215 -1.683 -8.397 159 H VAL 22 H VAL 22 -4.890 -3.888 -0.658 160 HA VAL 22 HA VAL 22 -2.567 -4.573 0.996 161 HB VAL 22 HB VAL 22 -3.841 -2.890 2.065 162 1HG1 VAL 22 1HG1 VAL 22 -5.907 -2.624 1.270 163 2HG1 VAL 22 2HG1 VAL 22 -6.129 -4.350 0.988 164 3HG1 VAL 22 3HG1 VAL 22 -6.362 -3.685 2.605 165 1HG2 VAL 22 1HG2 VAL 22 -5.136 -4.800 3.736 166 2HG2 VAL 22 2HG2 VAL 22 -3.583 -5.454 3.212 167 3HG2 VAL 22 3HG2 VAL 22 -3.651 -3.896 4.034 168 H ASN 23 H ASN 23 -2.137 -6.646 1.171 169 HA ASN 23 HA ASN 23 -4.019 -8.675 0.523 170 1HB ASN 23 2HB ASN 23 -1.463 -8.823 0.386 171 2HB ASN 23 1HB ASN 23 -1.500 -9.090 2.121 172 1HD2 ASN 23 1HD2 ASN 23 -1.436 -10.578 -0.800 173 2HD2 ASN 23 2HD2 ASN 23 -2.050 -12.133 -0.352 174 H HIS 24 H HIS 24 -5.193 -10.021 1.895 175 HA HIS 24 HA HIS 24 -5.744 -8.853 4.515 176 1HB HIS 24 2HB HIS 24 -7.196 -10.663 2.650 177 2HB HIS 24 1HB HIS 24 -7.556 -10.805 4.367 178 HD1 HIS 24 1HD HIS 24 -9.907 -9.832 4.164 179 HD2 HIS 24 2HD HIS 24 -6.912 -7.288 2.795 180 HE1 HIS 24 1HE HIS 24 -11.014 -7.601 3.841 181 HE2 HIS 24 2HE HIS 24 -9.244 -6.125 2.834 182 H ASN 25 H ASN 25 -4.073 -11.475 3.159 183 HA ASN 25 HA ASN 25 -4.116 -12.953 5.691 184 1HB ASN 25 2HB ASN 25 -4.262 -14.797 4.441 185 2HB ASN 25 1HB ASN 25 -4.378 -13.775 3.019 186 1HD2 ASN 25 1HD2 ASN 25 -2.775 -13.754 1.593 187 2HD2 ASN 25 2HD2 ASN 25 -1.317 -14.664 1.732 188 H ASN 26 H ASN 26 -1.886 -11.646 3.253 189 HA ASN 26 HA ASN 26 0.350 -12.044 5.119 190 1HB ASN 26 2HB ASN 26 0.509 -12.806 2.711 191 2HB ASN 26 1HB ASN 26 0.474 -11.108 2.247 192 1HD2 ASN 26 1HD2 ASN 26 2.259 -13.520 4.068 193 2HD2 ASN 26 2HD2 ASN 26 3.796 -12.728 3.957 194 H ARG 27 H ARG 27 -1.805 -9.724 4.046 195 HA ARG 27 HA ARG 27 -1.984 -7.479 4.057 196 1HB ARG 27 2HB ARG 27 -0.215 -7.267 6.442 197 2HB ARG 27 1HB ARG 27 -1.766 -6.501 6.099 198 1HG ARG 27 2HG ARG 27 -1.629 -9.448 6.562 199 2HG ARG 27 1HG ARG 27 -1.613 -8.324 7.924 200 1HD ARG 27 2HD ARG 27 -3.683 -8.054 5.783 201 2HD ARG 27 1HD ARG 27 -3.876 -9.265 7.048 202 HE ARG 27 HE ARG 27 -4.114 -6.398 7.319 203 1HH1 ARG 27 2HH1 ARG 27 -3.649 -9.458 8.973 204 2HH1 ARG 27 1HH1 ARG 27 -4.160 -8.838 10.516 205 1HH2 ARG 27 2HH2 ARG 27 -4.796 -5.593 9.318 206 2HH2 ARG 27 1HH2 ARG 27 -4.838 -6.636 10.710 207 H SER 28 H SER 28 0.187 -8.406 2.443 208 HA SER 28 HA SER 28 2.309 -6.546 2.570 209 1HB SER 28 2HB SER 28 1.515 -7.406 -0.120 210 2HB SER 28 1HB SER 28 3.037 -7.662 0.736 211 HG SER 28 HG SER 28 2.238 -9.479 1.661 212 H THR 29 H THR 29 2.218 -4.407 2.236 213 HA THR 29 HA THR 29 -0.256 -3.337 1.067 214 HB THR 29 HB THR 29 0.686 -1.185 2.265 215 HG1 THR 29 1HG THR 29 1.636 -2.872 4.231 216 1HG2 THR 29 1HG2 THR 29 -1.145 -3.213 2.943 217 2HG2 THR 29 2HG2 THR 29 -1.086 -1.563 3.563 218 3HG2 THR 29 3HG2 THR 29 -0.235 -2.856 4.412 219 H GLN 30 H GLN 30 0.846 -3.812 -1.065 220 HA GLN 30 HA GLN 30 2.796 -1.724 -1.746 221 1HB GLN 30 2HB GLN 30 3.105 -3.089 -3.863 222 2HB GLN 30 1HB GLN 30 3.677 -3.824 -2.370 223 1HG GLN 30 2HG GLN 30 1.489 -5.033 -2.280 224 2HG GLN 30 1HG GLN 30 1.186 -4.487 -3.914 225 1HE2 GLN 30 1HE2 GLN 30 1.917 -5.676 -5.520 226 2HE2 GLN 30 2HE2 GLN 30 3.094 -6.936 -5.402 227 H TRP 31 H TRP 31 2.446 -0.313 -3.394 228 HA TRP 31 HA TRP 31 -0.291 -0.183 -4.447 229 1HB TRP 31 2HB TRP 31 1.182 2.086 -5.309 230 2HB TRP 31 1HB TRP 31 -0.117 2.033 -4.129 231 HD1 TRP 31 HD TRP 31 3.693 1.344 -4.050 232 HE1 TRP 31 1HE TRP 31 4.662 2.371 -1.903 233 HE3 TRP 31 3HE TRP 31 -0.603 3.280 -2.096 234 HZ2 TRP 31 2HZ TRP 31 3.722 3.840 0.314 235 HZ3 TRP 31 3HZ TRP 31 -0.483 4.488 0.035 236 HH2 TRP 31 HH TRP 31 1.634 4.768 1.212 237 H HIS 32 H HIS 32 2.270 -1.793 -5.266 238 HA HIS 32 HA HIS 32 2.489 -0.800 -8.014 239 1HB HIS 32 2HB HIS 32 4.619 -1.622 -8.121 240 2HB HIS 32 1HB HIS 32 4.502 -1.348 -6.397 241 HD1 HIS 32 1HD HIS 32 5.038 -3.279 -4.913 242 HD2 HIS 32 2HD HIS 32 4.434 -4.427 -8.869 243 HE1 HIS 32 1HE HIS 32 5.663 -5.712 -5.020 244 HE2 HIS 32 2HE HIS 32 5.268 -6.401 -7.416 245 H ARG 33 H ARG 33 0.597 -2.844 -6.427 246 HA ARG 33 HA ARG 33 -0.824 -4.511 -6.996 247 1HB ARG 33 2HB ARG 33 -0.635 -3.095 -9.271 248 2HB ARG 33 1HB ARG 33 0.024 -4.625 -9.837 249 1HG ARG 33 2HG ARG 33 -1.981 -5.784 -9.191 250 2HG ARG 33 1HG ARG 33 -2.634 -4.320 -8.460 251 1HD ARG 33 2HD ARG 33 -2.467 -5.121 -11.301 252 2HD ARG 33 1HD ARG 33 -3.711 -4.208 -10.453 253 HE ARG 33 HE ARG 33 -1.166 -3.089 -11.442 254 1HH1 ARG 33 2HH1 ARG 33 -4.505 -2.685 -10.436 255 2HH1 ARG 33 1HH1 ARG 33 -4.598 -1.046 -10.993 256 1HH2 ARG 33 2HH2 ARG 33 -1.301 -0.922 -12.144 257 2HH2 ARG 33 1HH2 ARG 33 -2.787 -0.039 -11.939 258 HA PRO 34 HA PRO 34 1.830 -8.035 -6.799 259 1HB PRO 34 2HB PRO 34 -0.274 -9.886 -6.678 260 2HB PRO 34 1HB PRO 34 0.551 -9.135 -5.319 261 1HG PRO 34 2HG PRO 34 -2.127 -8.712 -6.186 262 2HG PRO 34 1HG PRO 34 -1.279 -7.924 -4.851 263 1HD PRO 34 2HD PRO 34 -1.922 -6.898 -7.501 264 2HD PRO 34 1HD PRO 34 -1.392 -6.025 -6.054 265 H SER 35 H SER 35 1.431 -7.074 -9.392 266 HA SER 35 HA SER 35 0.943 -9.486 -10.974 267 1HB SER 35 2HB SER 35 1.631 -6.868 -12.235 268 2HB SER 35 1HB SER 35 0.511 -8.117 -12.780 269 HG SER 35 HG SER 35 -1.009 -7.002 -11.885 270 H LEU 36 H LEU 36 2.632 -10.686 -11.547 271 HA LEU 36 HA LEU 36 5.299 -9.447 -11.470 272 1HB LEU 36 2HB LEU 36 4.246 -11.939 -10.360 273 2HB LEU 36 1HB LEU 36 5.713 -12.168 -11.292 274 HG LEU 36 HG LEU 36 6.277 -9.973 -9.683 275 1HD1 LEU 36 1HD1 LEU 36 4.106 -10.894 -8.489 276 2HD1 LEU 36 2HD1 LEU 36 5.265 -12.026 -7.792 277 3HD1 LEU 36 3HD1 LEU 36 5.485 -10.291 -7.573 278 1HD2 LEU 36 1HD2 LEU 36 8.083 -11.210 -9.285 279 2HD2 LEU 36 2HD2 LEU 36 7.131 -12.500 -8.547 280 3HD2 LEU 36 3HD2 LEU 36 7.339 -12.448 -10.297 Start of MODEL 7 1 1H GLY 1 1H GLY 1 -16.607 -16.128 -8.430 2 2H GLY 1 2H GLY 1 -17.585 -15.304 -9.545 3 3H GLY 1 3H GLY 1 -16.869 -14.461 -8.262 4 1HA GLY 1 2HA GLY 1 -14.736 -14.619 -9.160 5 2HA GLY 1 1HA GLY 1 -15.246 -15.869 -10.289 6 H SER 2 H SER 2 -14.494 -12.665 -10.002 7 HA SER 2 HA SER 2 -15.589 -12.126 -12.624 8 1HB SER 2 2HB SER 2 -16.150 -9.729 -11.279 9 2HB SER 2 1HB SER 2 -17.310 -10.883 -11.928 10 HG SER 2 HG SER 2 -17.272 -10.234 -9.527 11 HA PRO 3 HA PRO 3 -12.278 -8.825 -11.756 12 1HB PRO 3 2HB PRO 3 -11.118 -8.553 -9.352 13 2HB PRO 3 1HB PRO 3 -12.684 -7.817 -9.718 14 1HG PRO 3 2HG PRO 3 -12.076 -10.327 -8.207 15 2HG PRO 3 1HG PRO 3 -13.259 -9.058 -7.846 16 1HD PRO 3 2HD PRO 3 -13.886 -11.440 -9.057 17 2HD PRO 3 1HD PRO 3 -14.824 -9.947 -9.255 18 HA PRO 4 HA PRO 4 -8.759 -11.534 -12.203 19 1HB PRO 4 2HB PRO 4 -6.877 -9.748 -12.901 20 2HB PRO 4 1HB PRO 4 -8.218 -10.153 -13.980 21 1HG PRO 4 2HG PRO 4 -7.876 -7.780 -12.193 22 2HG PRO 4 1HG PRO 4 -8.493 -7.853 -13.854 23 1HD PRO 4 2HD PRO 4 -10.100 -7.712 -11.633 24 2HD PRO 4 1HD PRO 4 -10.604 -8.432 -13.174 25 H LEU 5 H LEU 5 -9.027 -9.127 -9.830 26 HA LEU 5 HA LEU 5 -6.472 -9.408 -8.586 27 1HB LEU 5 2HB LEU 5 -8.236 -7.510 -8.371 28 2HB LEU 5 1HB LEU 5 -8.966 -8.543 -7.159 29 HG LEU 5 HG LEU 5 -6.724 -8.518 -5.965 30 1HD1 LEU 5 1HD1 LEU 5 -5.566 -6.216 -6.620 31 2HD1 LEU 5 2HD1 LEU 5 -5.087 -7.757 -7.331 32 3HD1 LEU 5 3HD1 LEU 5 -6.171 -6.676 -8.211 33 1HD2 LEU 5 1HD2 LEU 5 -8.732 -7.188 -5.323 34 2HD2 LEU 5 2HD2 LEU 5 -7.194 -6.455 -4.862 35 3HD2 LEU 5 3HD2 LEU 5 -8.075 -5.847 -6.263 36 HA PRO 6 HA PRO 6 -7.256 -13.436 -6.895 37 1HB PRO 6 2HB PRO 6 -4.968 -12.842 -5.131 38 2HB PRO 6 1HB PRO 6 -5.163 -14.126 -6.326 39 1HG PRO 6 2HG PRO 6 -3.517 -12.059 -6.761 40 2HG PRO 6 1HG PRO 6 -4.456 -12.792 -8.077 41 1HD PRO 6 2HD PRO 6 -4.984 -10.268 -6.548 42 2HD PRO 6 1HD PRO 6 -5.135 -10.582 -8.290 43 HA PRO 7 HA PRO 7 -9.541 -12.832 -3.165 44 1HB PRO 7 2HB PRO 7 -8.650 -15.546 -2.388 45 2HB PRO 7 1HB PRO 7 -10.287 -14.928 -2.633 46 1HG PRO 7 2HG PRO 7 -9.174 -16.589 -4.402 47 2HG PRO 7 1HG PRO 7 -10.208 -15.245 -4.927 48 1HD PRO 7 2HD PRO 7 -7.215 -15.445 -4.932 49 2HD PRO 7 1HD PRO 7 -8.295 -14.773 -6.171 50 H GLY 8 H GLY 8 -9.014 -11.848 -1.331 51 1HA GLY 8 1HA GLY 8 -7.877 -11.712 0.766 52 2HA GLY 8 2HA GLY 8 -6.537 -12.625 0.072 53 H TRP 9 H TRP 9 -7.509 -10.446 -2.209 54 HA TRP 9 HA TRP 9 -5.653 -8.370 -1.244 55 1HB TRP 9 2HB TRP 9 -6.456 -9.204 -4.031 56 2HB TRP 9 1HB TRP 9 -5.662 -7.670 -3.712 57 HD1 TRP 9 HD TRP 9 -4.983 -11.359 -4.114 58 HE1 TRP 9 1HE TRP 9 -2.435 -11.773 -3.995 59 HE3 TRP 9 3HE TRP 9 -3.484 -6.739 -2.526 60 HZ2 TRP 9 2HZ TRP 9 -0.106 -10.324 -3.300 61 HZ3 TRP 9 3HZ TRP 9 -1.085 -6.330 -2.148 62 HH2 TRP 9 HH TRP 9 0.569 -8.088 -2.530 63 H GLU 10 H GLU 10 -6.410 -6.300 -0.971 64 HA GLU 10 HA GLU 10 -9.177 -5.765 -1.834 65 1HB GLU 10 2HB GLU 10 -8.087 -5.854 0.837 66 2HB GLU 10 1HB GLU 10 -8.720 -4.254 0.483 67 1HG GLU 10 2HG GLU 10 -10.872 -5.215 -0.092 68 2HG GLU 10 1HG GLU 10 -10.236 -6.834 0.192 69 H GLU 11 H GLU 11 -9.486 -3.890 -2.873 70 HA GLU 11 HA GLU 11 -7.232 -2.184 -3.407 71 1HB GLU 11 2HB GLU 11 -8.978 -2.737 -5.103 72 2HB GLU 11 1HB GLU 11 -10.125 -1.776 -4.177 73 1HG GLU 11 2HG GLU 11 -8.000 -0.065 -4.515 74 2HG GLU 11 1HG GLU 11 -8.061 -0.943 -6.042 75 H LYS 12 H LYS 12 -6.607 -0.558 -2.197 76 HA LYS 12 HA LYS 12 -8.610 0.949 -0.666 77 1HB LYS 12 2HB LYS 12 -6.664 -0.805 0.446 78 2HB LYS 12 1HB LYS 12 -6.178 0.839 0.832 79 1HG LYS 12 2HG LYS 12 -7.542 0.602 2.583 80 2HG LYS 12 1HG LYS 12 -8.828 0.920 1.416 81 1HD LYS 12 2HD LYS 12 -9.614 -1.170 1.569 82 2HD LYS 12 1HD LYS 12 -7.999 -1.872 1.457 83 1HE LYS 12 2HE LYS 12 -8.090 -2.352 3.621 84 2HE LYS 12 1HE LYS 12 -8.176 -0.627 3.981 85 1HZ LYS 12 1HZ LYS 12 -10.658 -1.909 3.161 86 2HZ LYS 12 2HZ LYS 12 -10.388 -0.722 4.340 87 3HZ LYS 12 3HZ LYS 12 -10.061 -2.347 4.687 88 H VAL 13 H VAL 13 -7.843 3.097 -0.025 89 HA VAL 13 HA VAL 13 -5.497 4.014 -1.546 90 HB VAL 13 HB VAL 13 -8.214 5.076 -1.527 91 1HG1 VAL 13 1HG1 VAL 13 -6.992 6.643 0.087 92 2HG1 VAL 13 2HG1 VAL 13 -6.091 7.173 -1.332 93 3HG1 VAL 13 3HG1 VAL 13 -7.844 7.363 -1.279 94 1HG2 VAL 13 1HG2 VAL 13 -7.639 5.880 -3.632 95 2HG2 VAL 13 2HG2 VAL 13 -5.927 5.998 -3.216 96 3HG2 VAL 13 3HG2 VAL 13 -6.667 4.418 -3.457 97 H ASP 14 H ASP 14 -4.059 5.363 -0.465 98 HA ASP 14 HA ASP 14 -4.254 5.210 2.429 99 1HB ASP 14 2HB ASP 14 -1.957 5.525 2.508 100 2HB ASP 14 1HB ASP 14 -2.152 4.691 0.971 101 H ASN 15 H ASN 15 -2.866 7.387 3.312 102 HA ASN 15 HA ASN 15 -4.912 9.356 3.339 103 1HB ASN 15 2HB ASN 15 -3.599 10.505 4.935 104 2HB ASN 15 1HB ASN 15 -3.293 8.797 5.224 105 1HD2 ASN 15 1HD2 ASN 15 -1.879 11.747 4.928 106 2HD2 ASN 15 2HD2 ASN 15 -0.267 11.245 4.545 107 H LEU 16 H LEU 16 -2.125 8.910 1.343 108 HA LEU 16 HA LEU 16 -2.023 11.709 0.558 109 1HB LEU 16 2HB LEU 16 -0.226 9.510 0.507 110 2HB LEU 16 1HB LEU 16 -0.453 10.048 -1.147 111 HG LEU 16 HG LEU 16 -0.065 12.418 0.193 112 1HD1 LEU 16 1HD1 LEU 16 1.878 12.119 1.608 113 2HD1 LEU 16 2HD1 LEU 16 0.521 11.186 2.242 114 3HD1 LEU 16 3HD1 LEU 16 1.816 10.373 1.365 115 1HD2 LEU 16 1HD2 LEU 16 1.554 10.623 -1.509 116 2HD2 LEU 16 2HD2 LEU 16 1.063 12.296 -1.768 117 3HD2 LEU 16 3HD2 LEU 16 2.407 11.927 -0.685 118 H GLY 17 H GLY 17 -3.115 8.616 -0.714 119 1HA GLY 17 1HA GLY 17 -5.115 8.839 -2.201 120 2HA GLY 17 2HA GLY 17 -4.192 10.056 -3.071 121 H ARG 18 H ARG 18 -2.568 7.279 -1.827 122 HA ARG 18 HA ARG 18 -1.973 6.418 -4.551 123 1HB ARG 18 2HB ARG 18 -0.871 5.032 -2.134 124 2HB ARG 18 1HB ARG 18 -0.115 5.316 -3.688 125 1HG ARG 18 2HG ARG 18 -0.573 7.840 -2.492 126 2HG ARG 18 1HG ARG 18 0.163 6.788 -1.285 127 1HD ARG 18 2HD ARG 18 2.056 7.545 -2.278 128 2HD ARG 18 1HD ARG 18 1.728 6.174 -3.341 129 HE ARG 18 HE ARG 18 0.606 7.840 -4.834 130 1HH1 ARG 18 2HH1 ARG 18 3.108 8.837 -2.599 131 2HH1 ARG 18 1HH1 ARG 18 3.552 10.240 -3.532 132 1HH2 ARG 18 2HH2 ARG 18 1.175 9.659 -6.049 133 2HH2 ARG 18 1HH2 ARG 18 2.432 10.716 -5.485 134 H THR 19 H THR 19 -3.575 5.196 -5.378 135 HA THR 19 HA THR 19 -5.182 3.436 -3.868 136 HB THR 19 HB THR 19 -4.756 2.845 -6.750 137 HG1 THR 19 1HG THR 19 -6.398 5.035 -6.288 138 1HG2 THR 19 1HG2 THR 19 -6.945 2.841 -4.750 139 2HG2 THR 19 2HG2 THR 19 -6.588 1.692 -6.040 140 3HG2 THR 19 3HG2 THR 19 -7.398 3.211 -6.418 141 H TYR 20 H TYR 20 -4.282 1.834 -2.759 142 HA TYR 20 HA TYR 20 -2.303 0.148 -4.117 143 1HB TYR 20 2HB TYR 20 -1.279 -0.323 -1.979 144 2HB TYR 20 1HB TYR 20 -1.359 1.413 -2.212 145 HD1 TYR 20 1HD TYR 20 -2.908 2.785 -0.844 146 HD2 TYR 20 2HD TYR 20 -2.494 -1.406 -0.219 147 HE1 TYR 20 1HE TYR 20 -3.959 3.010 1.362 148 HE2 TYR 20 2HE TYR 20 -3.548 -1.179 1.983 149 HH TYR 20 HH TYR 20 -4.316 1.956 3.352 150 H TYR 21 H TYR 21 -2.190 -2.075 -3.023 151 HA TYR 21 HA TYR 21 -4.936 -3.029 -2.594 152 1HB TYR 21 2HB TYR 21 -2.760 -4.462 -4.147 153 2HB TYR 21 1HB TYR 21 -4.398 -5.051 -3.870 154 HD1 TYR 21 1HD TYR 21 -2.299 -2.814 -5.829 155 HD2 TYR 21 2HD TYR 21 -6.312 -3.966 -5.007 156 HE1 TYR 21 1HE TYR 21 -3.047 -1.641 -7.852 157 HE2 TYR 21 2HE TYR 21 -7.068 -2.801 -7.036 158 HH TYR 21 HH TYR 21 -4.783 -0.980 -9.072 159 H VAL 22 H VAL 22 -5.138 -3.789 -0.635 160 HA VAL 22 HA VAL 22 -2.732 -4.579 0.814 161 HB VAL 22 HB VAL 22 -3.981 -2.956 2.003 162 1HG1 VAL 22 1HG1 VAL 22 -6.104 -2.956 1.036 163 2HG1 VAL 22 2HG1 VAL 22 -6.370 -4.656 1.425 164 3HG1 VAL 22 3HG1 VAL 22 -6.372 -3.448 2.709 165 1HG2 VAL 22 1HG2 VAL 22 -4.637 -4.145 4.067 166 2HG2 VAL 22 2HG2 VAL 22 -4.506 -5.670 3.189 167 3HG2 VAL 22 3HG2 VAL 22 -3.076 -4.667 3.431 168 H ASN 23 H ASN 23 -2.239 -6.636 0.782 169 HA ASN 23 HA ASN 23 -4.111 -8.741 0.388 170 1HB ASN 23 2HB ASN 23 -1.644 -8.846 -0.121 171 2HB ASN 23 1HB ASN 23 -1.349 -8.916 1.613 172 1HD2 ASN 23 1HD2 ASN 23 -2.668 -10.621 -1.137 173 2HD2 ASN 23 2HD2 ASN 23 -2.683 -12.187 -0.397 174 H HIS 24 H HIS 24 -5.132 -10.045 1.908 175 HA HIS 24 HA HIS 24 -5.086 -8.949 4.639 176 1HB HIS 24 2HB HIS 24 -7.199 -10.169 2.948 177 2HB HIS 24 1HB HIS 24 -7.276 -10.498 4.677 178 HD1 HIS 24 1HD HIS 24 -9.144 -9.020 5.410 179 HD2 HIS 24 2HD HIS 24 -6.358 -7.009 3.077 180 HE1 HIS 24 1HE HIS 24 -9.855 -6.614 5.448 181 HE2 HIS 24 2HE HIS 24 -8.335 -5.480 3.796 182 H ASN 25 H ASN 25 -3.454 -11.186 3.184 183 HA ASN 25 HA ASN 25 -3.778 -13.215 5.296 184 1HB ASN 25 2HB ASN 25 -3.419 -13.422 2.465 185 2HB ASN 25 1HB ASN 25 -1.997 -14.102 3.248 186 1HD2 ASN 25 1HD2 ASN 25 -5.030 -14.740 2.150 187 2HD2 ASN 25 2HD2 ASN 25 -5.372 -16.166 3.054 188 H ASN 26 H ASN 26 -1.221 -11.873 3.238 189 HA ASN 26 HA ASN 26 0.702 -12.038 5.436 190 1HB ASN 26 2HB ASN 26 1.299 -12.869 3.165 191 2HB ASN 26 1HB ASN 26 1.100 -11.236 2.542 192 1HD2 ASN 26 1HD2 ASN 26 3.271 -11.361 1.817 193 2HD2 ASN 26 2HD2 ASN 26 4.582 -11.095 2.927 194 H ARG 27 H ARG 27 -1.416 -9.860 4.025 195 HA ARG 27 HA ARG 27 -1.867 -7.664 4.248 196 1HB ARG 27 2HB ARG 27 -0.080 -7.828 6.671 197 2HB ARG 27 1HB ARG 27 -1.256 -6.567 6.323 198 1HG ARG 27 2HG ARG 27 -3.065 -8.202 6.475 199 2HG ARG 27 1HG ARG 27 -1.885 -9.467 6.828 200 1HD ARG 27 2HD ARG 27 -2.613 -7.078 8.500 201 2HD ARG 27 1HD ARG 27 -2.764 -8.785 8.914 202 HE ARG 27 HE ARG 27 -0.209 -8.765 8.755 203 1HH1 ARG 27 2HH1 ARG 27 -2.135 -6.033 9.825 204 2HH1 ARG 27 1HH1 ARG 27 -0.861 -5.358 10.801 205 1HH2 ARG 27 2HH2 ARG 27 1.467 -7.881 10.036 206 2HH2 ARG 27 1HH2 ARG 27 1.187 -6.410 10.925 207 H SER 28 H SER 28 0.232 -8.255 2.484 208 HA SER 28 HA SER 28 2.250 -6.238 2.794 209 1HB SER 28 2HB SER 28 1.492 -7.622 0.218 210 2HB SER 28 1HB SER 28 3.063 -6.969 0.688 211 HG SER 28 HG SER 28 2.846 -8.618 2.484 212 H THR 29 H THR 29 1.647 -4.178 2.764 213 HA THR 29 HA THR 29 -0.653 -3.315 1.203 214 HB THR 29 HB THR 29 0.315 -1.048 2.385 215 HG1 THR 29 1HG THR 29 1.937 -2.602 3.400 216 1HG2 THR 29 1HG2 THR 29 -1.265 -2.719 4.212 217 2HG2 THR 29 2HG2 THR 29 -1.917 -2.603 2.578 218 3HG2 THR 29 3HG2 THR 29 -1.632 -1.140 3.519 219 H GLN 30 H GLN 30 0.528 -3.765 -0.837 220 HA GLN 30 HA GLN 30 2.576 -1.755 -1.453 221 1HB GLN 30 2HB GLN 30 3.036 -3.236 -3.448 222 2HB GLN 30 1HB GLN 30 3.415 -3.926 -1.879 223 1HG GLN 30 2HG GLN 30 1.521 -5.339 -1.948 224 2HG GLN 30 1HG GLN 30 0.831 -4.473 -3.311 225 1HE2 GLN 30 1HE2 GLN 30 0.937 -5.594 -5.039 226 2HE2 GLN 30 2HE2 GLN 30 2.236 -6.610 -5.536 227 H TRP 31 H TRP 31 2.339 -0.309 -3.101 228 HA TRP 31 HA TRP 31 -0.394 -0.015 -4.060 229 1HB TRP 31 2HB TRP 31 1.205 2.184 -4.909 230 2HB TRP 31 1HB TRP 31 -0.101 2.162 -3.734 231 HD1 TRP 31 HD TRP 31 3.707 1.396 -3.745 232 HE1 TRP 31 1HE TRP 31 4.686 2.238 -1.518 233 HE3 TRP 31 3HE TRP 31 -0.598 3.072 -1.559 234 HZ2 TRP 31 2HZ TRP 31 3.748 3.478 0.840 235 HZ3 TRP 31 3HZ TRP 31 -0.469 4.077 0.676 236 HH2 TRP 31 HH TRP 31 1.655 4.278 1.841 237 H HIS 32 H HIS 32 2.307 -1.453 -5.252 238 HA HIS 32 HA HIS 32 1.987 -0.395 -7.954 239 1HB HIS 32 2HB HIS 32 3.901 -2.025 -8.479 240 2HB HIS 32 1HB HIS 32 4.265 -0.599 -7.521 241 HD1 HIS 32 1HD HIS 32 3.533 -4.299 -6.996 242 HD2 HIS 32 2HD HIS 32 5.638 -1.157 -5.264 243 HE1 HIS 32 1HE HIS 32 4.863 -5.321 -5.126 244 HE2 HIS 32 2HE HIS 32 6.321 -3.450 -4.275 245 H ARG 33 H ARG 33 0.214 -2.440 -6.361 246 HA ARG 33 HA ARG 33 -1.175 -4.173 -6.894 247 1HB ARG 33 2HB ARG 33 -0.967 -2.806 -9.223 248 2HB ARG 33 1HB ARG 33 -0.285 -4.347 -9.722 249 1HG ARG 33 2HG ARG 33 -2.277 -5.472 -9.435 250 2HG ARG 33 1HG ARG 33 -2.901 -4.288 -8.285 251 1HD ARG 33 2HD ARG 33 -4.058 -4.153 -10.436 252 2HD ARG 33 1HD ARG 33 -3.171 -2.670 -10.081 253 HE ARG 33 HE ARG 33 -2.218 -4.759 -11.947 254 1HH1 ARG 33 2HH1 ARG 33 -2.585 -1.390 -11.012 255 2HH1 ARG 33 1HH1 ARG 33 -1.698 -0.782 -12.375 256 1HH2 ARG 33 2HH2 ARG 33 -1.054 -3.965 -13.731 257 2HH2 ARG 33 1HH2 ARG 33 -0.838 -2.247 -13.938 258 HA PRO 34 HA PRO 34 1.395 -7.816 -6.620 259 1HB PRO 34 2HB PRO 34 -0.806 -9.336 -7.852 260 2HB PRO 34 1HB PRO 34 -0.049 -9.534 -6.275 261 1HG PRO 34 2HG PRO 34 -2.517 -8.511 -6.559 262 2HG PRO 34 1HG PRO 34 -1.414 -7.990 -5.273 263 1HD PRO 34 2HD PRO 34 -2.166 -6.608 -7.803 264 2HD PRO 34 1HD PRO 34 -1.807 -5.929 -6.207 265 H SER 35 H SER 35 2.269 -6.448 -8.680 266 HA SER 35 HA SER 35 3.373 -6.541 -10.651 267 1HB SER 35 2HB SER 35 3.592 -9.477 -9.980 268 2HB SER 35 1HB SER 35 4.718 -8.516 -10.940 269 HG SER 35 HG SER 35 5.078 -7.240 -9.020 270 H LEU 36 H LEU 36 0.670 -6.577 -11.192 271 HA LEU 36 HA LEU 36 0.708 -7.547 -13.859 272 1HB LEU 36 2HB LEU 36 -0.057 -9.477 -12.089 273 2HB LEU 36 1HB LEU 36 -1.601 -8.744 -12.469 274 HG LEU 36 HG LEU 36 -1.058 -10.735 -13.860 275 1HD1 LEU 36 1HD1 LEU 36 -2.590 -9.669 -15.076 276 2HD1 LEU 36 2HD1 LEU 36 -1.826 -8.097 -14.837 277 3HD1 LEU 36 3HD1 LEU 36 -1.237 -9.180 -16.098 278 1HD2 LEU 36 1HD2 LEU 36 0.929 -9.048 -15.329 279 2HD2 LEU 36 2HD2 LEU 36 1.428 -10.051 -13.966 280 3HD2 LEU 36 3HD2 LEU 36 0.685 -10.794 -15.383 Start of MODEL 8 1 1H GLY 1 1H GLY 1 -11.269 -13.521 -18.714 2 2H GLY 1 2H GLY 1 -11.222 -12.038 -19.533 3 3H GLY 1 3H GLY 1 -12.566 -13.057 -19.702 4 1HA GLY 1 2HA GLY 1 -12.296 -10.992 -17.911 5 2HA GLY 1 1HA GLY 1 -13.559 -12.216 -17.928 6 H SER 2 H SER 2 -11.200 -10.822 -16.092 7 HA SER 2 HA SER 2 -11.450 -12.771 -14.003 8 1HB SER 2 2HB SER 2 -8.747 -12.330 -15.300 9 2HB SER 2 1HB SER 2 -8.988 -13.142 -13.757 10 HG SER 2 HG SER 2 -10.571 -14.164 -15.736 11 HA PRO 3 HA PRO 3 -11.111 -8.949 -11.734 12 1HB PRO 3 2HB PRO 3 -10.206 -10.702 -9.523 13 2HB PRO 3 1HB PRO 3 -11.543 -9.551 -9.566 14 1HG PRO 3 2HG PRO 3 -11.990 -12.184 -9.634 15 2HG PRO 3 1HG PRO 3 -12.984 -11.060 -10.580 16 1HD PRO 3 2HD PRO 3 -10.777 -12.860 -11.478 17 2HD PRO 3 1HD PRO 3 -12.298 -12.443 -12.294 18 HA PRO 4 HA PRO 4 -6.715 -8.309 -12.374 19 1HB PRO 4 2HB PRO 4 -6.716 -5.698 -11.511 20 2HB PRO 4 1HB PRO 4 -7.185 -6.202 -13.138 21 1HG PRO 4 2HG PRO 4 -8.912 -5.556 -10.781 22 2HG PRO 4 1HG PRO 4 -9.135 -5.126 -12.489 23 1HD PRO 4 2HD PRO 4 -10.496 -7.142 -11.341 24 2HD PRO 4 1HD PRO 4 -9.967 -7.218 -13.034 25 H LEU 5 H LEU 5 -8.458 -7.655 -9.411 26 HA LEU 5 HA LEU 5 -5.968 -7.916 -7.880 27 1HB LEU 5 2HB LEU 5 -7.855 -6.021 -7.629 28 2HB LEU 5 1HB LEU 5 -8.524 -7.224 -6.545 29 HG LEU 5 HG LEU 5 -6.422 -7.219 -5.262 30 1HD1 LEU 5 1HD1 LEU 5 -4.836 -6.594 -6.931 31 2HD1 LEU 5 2HD1 LEU 5 -5.647 -5.050 -7.199 32 3HD1 LEU 5 3HD1 LEU 5 -4.822 -5.360 -5.669 33 1HD2 LEU 5 1HD2 LEU 5 -8.365 -5.730 -4.731 34 2HD2 LEU 5 2HD2 LEU 5 -6.806 -5.172 -4.126 35 3HD2 LEU 5 3HD2 LEU 5 -7.510 -4.432 -5.562 36 HA PRO 6 HA PRO 6 -7.326 -12.125 -7.195 37 1HB PRO 6 2HB PRO 6 -5.136 -12.097 -5.206 38 2HB PRO 6 1HB PRO 6 -5.387 -13.167 -6.585 39 1HG PRO 6 2HG PRO 6 -3.482 -11.293 -6.622 40 2HG PRO 6 1HG PRO 6 -4.414 -11.692 -8.079 41 1HD PRO 6 2HD PRO 6 -4.716 -9.368 -6.213 42 2HD PRO 6 1HD PRO 6 -4.803 -9.407 -7.986 43 HA PRO 7 HA PRO 7 -9.967 -11.673 -3.708 44 1HB PRO 7 2HB PRO 7 -9.777 -14.615 -3.424 45 2HB PRO 7 1HB PRO 7 -11.195 -13.604 -3.722 46 1HG PRO 7 2HG PRO 7 -10.172 -15.115 -5.669 47 2HG PRO 7 1HG PRO 7 -10.799 -13.490 -6.010 48 1HD PRO 7 2HD PRO 7 -7.955 -14.388 -5.670 49 2HD PRO 7 1HD PRO 7 -8.640 -13.283 -6.877 50 H GLY 8 H GLY 8 -9.055 -10.810 -1.982 51 1HA GLY 8 1HA GLY 8 -8.276 -11.530 0.334 52 2HA GLY 8 2HA GLY 8 -6.953 -12.305 -0.542 53 H TRP 9 H TRP 9 -7.217 -9.982 -2.506 54 HA TRP 9 HA TRP 9 -5.557 -8.083 -1.034 55 1HB TRP 9 2HB TRP 9 -6.205 -8.419 -3.966 56 2HB TRP 9 1HB TRP 9 -5.264 -7.069 -3.339 57 HD1 TRP 9 HD TRP 9 -5.062 -10.858 -3.918 58 HE1 TRP 9 1HE TRP 9 -2.580 -11.563 -3.787 59 HE3 TRP 9 3HE TRP 9 -3.038 -6.435 -2.364 60 HZ2 TRP 9 2HZ TRP 9 -0.092 -10.375 -3.110 61 HZ3 TRP 9 3HZ TRP 9 -0.617 -6.305 -2.000 62 HH2 TRP 9 HH TRP 9 0.830 -8.232 -2.365 63 H GLU 10 H GLU 10 -6.147 -5.949 -0.704 64 HA GLU 10 HA GLU 10 -8.940 -5.287 -1.384 65 1HB GLU 10 2HB GLU 10 -7.855 -5.610 1.138 66 2HB GLU 10 1HB GLU 10 -7.818 -3.869 0.901 67 1HG GLU 10 2HG GLU 10 -10.240 -3.977 0.309 68 2HG GLU 10 1HG GLU 10 -10.219 -5.673 0.789 69 H GLU 11 H GLU 11 -9.108 -3.636 -2.740 70 HA GLU 11 HA GLU 11 -6.933 -1.831 -3.254 71 1HB GLU 11 2HB GLU 11 -9.073 -2.684 -4.716 72 2HB GLU 11 1HB GLU 11 -9.620 -1.092 -4.212 73 1HG GLU 11 2HG GLU 11 -8.079 -0.008 -5.472 74 2HG GLU 11 1HG GLU 11 -6.883 -1.294 -5.312 75 H LYS 12 H LYS 12 -6.435 -0.367 -1.750 76 HA LYS 12 HA LYS 12 -8.630 1.195 -0.548 77 1HB LYS 12 2HB LYS 12 -6.103 0.329 0.865 78 2HB LYS 12 1HB LYS 12 -7.412 1.274 1.556 79 1HG LYS 12 2HG LYS 12 -8.756 -0.931 0.754 80 2HG LYS 12 1HG LYS 12 -7.180 -1.621 1.143 81 1HD LYS 12 2HD LYS 12 -9.100 -0.167 2.933 82 2HD LYS 12 1HD LYS 12 -8.366 -1.755 3.150 83 1HE LYS 12 2HE LYS 12 -6.786 -0.824 4.395 84 2HE LYS 12 1HE LYS 12 -6.259 0.103 2.991 85 1HZ LYS 12 1HZ LYS 12 -6.719 1.659 4.676 86 2HZ LYS 12 2HZ LYS 12 -8.184 0.920 5.095 87 3HZ LYS 12 3HZ LYS 12 -8.040 1.752 3.618 88 H VAL 13 H VAL 13 -8.351 3.362 -0.545 89 HA VAL 13 HA VAL 13 -5.970 4.447 -1.787 90 HB VAL 13 HB VAL 13 -8.611 5.567 -0.951 91 1HG1 VAL 13 1HG1 VAL 13 -7.891 7.858 -1.232 92 2HG1 VAL 13 2HG1 VAL 13 -6.966 7.108 0.069 93 3HG1 VAL 13 3HG1 VAL 13 -6.231 7.334 -1.520 94 1HG2 VAL 13 1HG2 VAL 13 -8.922 5.775 -3.145 95 2HG2 VAL 13 2HG2 VAL 13 -7.353 6.550 -3.376 96 3HG2 VAL 13 3HG2 VAL 13 -7.470 4.792 -3.330 97 H ASP 14 H ASP 14 -4.348 5.496 -0.786 98 HA ASP 14 HA ASP 14 -3.760 4.908 1.878 99 1HB ASP 14 2HB ASP 14 -1.777 6.158 1.579 100 2HB ASP 14 1HB ASP 14 -2.141 5.480 -0.002 101 H ASN 15 H ASN 15 -4.840 7.910 0.388 102 HA ASN 15 HA ASN 15 -6.390 8.915 2.433 103 1HB ASN 15 2HB ASN 15 -4.640 9.162 3.967 104 2HB ASN 15 1HB ASN 15 -3.466 9.548 2.715 105 1HD2 ASN 15 1HD2 ASN 15 -2.985 11.616 2.360 106 2HD2 ASN 15 2HD2 ASN 15 -3.853 12.969 3.015 107 H LEU 16 H LEU 16 -3.854 9.780 0.127 108 HA LEU 16 HA LEU 16 -5.407 12.124 -0.675 109 1HB LEU 16 2HB LEU 16 -3.427 13.117 -0.674 110 2HB LEU 16 1HB LEU 16 -2.623 11.593 -0.360 111 HG LEU 16 HG LEU 16 -3.133 11.475 -3.071 112 1HD1 LEU 16 1HD1 LEU 16 -2.054 14.221 -2.534 113 2HD1 LEU 16 2HD1 LEU 16 -2.574 13.518 -4.066 114 3HD1 LEU 16 3HD1 LEU 16 -3.767 13.934 -2.836 115 1HD2 LEU 16 1HD2 LEU 16 -0.962 11.008 -3.045 116 2HD2 LEU 16 2HD2 LEU 16 -0.556 12.632 -2.487 117 3HD2 LEU 16 3HD2 LEU 16 -0.980 11.381 -1.321 118 H GLY 17 H GLY 17 -3.867 9.219 -2.077 119 1HA GLY 17 1HA GLY 17 -5.772 8.634 -3.924 120 2HA GLY 17 2HA GLY 17 -4.845 9.895 -4.712 121 H ARG 18 H ARG 18 -3.210 7.620 -2.592 122 HA ARG 18 HA ARG 18 -2.219 6.256 -5.007 123 1HB ARG 18 2HB ARG 18 -0.834 5.518 -2.540 124 2HB ARG 18 1HB ARG 18 -0.185 6.060 -4.076 125 1HG ARG 18 2HG ARG 18 -0.481 8.356 -3.476 126 2HG ARG 18 1HG ARG 18 -1.332 7.900 -1.998 127 1HD ARG 18 2HD ARG 18 0.615 7.024 -1.021 128 2HD ARG 18 1HD ARG 18 1.478 7.015 -2.559 129 HE ARG 18 HE ARG 18 1.416 9.485 -2.436 130 1HH1 ARG 18 2HH1 ARG 18 1.024 7.607 0.497 131 2HH1 ARG 18 1HH1 ARG 18 1.612 8.862 1.542 132 1HH2 ARG 18 2HH2 ARG 18 2.181 11.155 -1.070 133 2HH2 ARG 18 1HH2 ARG 18 2.288 10.875 0.644 134 H THR 19 H THR 19 -3.940 4.951 -5.323 135 HA THR 19 HA THR 19 -5.203 3.399 -3.344 136 HB THR 19 HB THR 19 -5.308 2.213 -5.989 137 HG1 THR 19 1HG THR 19 -4.994 4.090 -6.988 138 1HG2 THR 19 1HG2 THR 19 -7.316 1.783 -5.114 139 2HG2 THR 19 2HG2 THR 19 -7.735 3.477 -5.364 140 3HG2 THR 19 3HG2 THR 19 -7.057 2.953 -3.823 141 H TYR 20 H TYR 20 -3.905 2.096 -2.154 142 HA TYR 20 HA TYR 20 -2.089 0.332 -3.583 143 1HB TYR 20 2HB TYR 20 -1.095 -0.216 -1.429 144 2HB TYR 20 1HB TYR 20 -1.145 1.526 -1.650 145 HD1 TYR 20 1HD TYR 20 -2.633 2.909 -0.308 146 HD2 TYR 20 2HD TYR 20 -2.429 -1.303 0.269 147 HE1 TYR 20 1HE TYR 20 -3.790 3.151 1.844 148 HE2 TYR 20 2HE TYR 20 -3.603 -1.063 2.416 149 HH TYR 20 HH TYR 20 -3.961 1.902 3.983 150 H TYR 21 H TYR 21 -1.925 -1.900 -2.589 151 HA TYR 21 HA TYR 21 -4.657 -2.965 -2.376 152 1HB TYR 21 2HB TYR 21 -2.397 -4.409 -3.763 153 2HB TYR 21 1HB TYR 21 -4.131 -4.708 -3.892 154 HD1 TYR 21 1HD TYR 21 -1.413 -3.413 -5.622 155 HD2 TYR 21 2HD TYR 21 -5.468 -2.500 -4.715 156 HE1 TYR 21 1HE TYR 21 -1.514 -1.930 -7.577 157 HE2 TYR 21 2HE TYR 21 -5.577 -1.025 -6.676 158 HH TYR 21 HH TYR 21 -4.521 -0.234 -8.454 159 H VAL 22 H VAL 22 -4.796 -3.500 -0.304 160 HA VAL 22 HA VAL 22 -2.452 -4.583 1.041 161 HB VAL 22 HB VAL 22 -3.491 -2.929 2.345 162 1HG1 VAL 22 1HG1 VAL 22 -6.076 -4.288 1.700 163 2HG1 VAL 22 2HG1 VAL 22 -5.921 -3.168 3.053 164 3HG1 VAL 22 3HG1 VAL 22 -5.599 -2.617 1.410 165 1HG2 VAL 22 1HG2 VAL 22 -3.021 -5.340 3.369 166 2HG2 VAL 22 2HG2 VAL 22 -3.633 -4.002 4.340 167 3HG2 VAL 22 3HG2 VAL 22 -4.744 -5.227 3.730 168 H ASN 23 H ASN 23 -2.114 -6.632 0.890 169 HA ASN 23 HA ASN 23 -4.105 -8.579 0.330 170 1HB ASN 23 2HB ASN 23 -1.741 -8.863 -0.290 171 2HB ASN 23 1HB ASN 23 -1.292 -8.892 1.413 172 1HD2 ASN 23 1HD2 ASN 23 -3.003 -10.610 -1.122 173 2HD2 ASN 23 2HD2 ASN 23 -2.934 -12.166 -0.367 174 H HIS 24 H HIS 24 -5.112 -10.050 1.755 175 HA HIS 24 HA HIS 24 -4.983 -9.227 4.579 176 1HB HIS 24 2HB HIS 24 -7.169 -10.305 2.857 177 2HB HIS 24 1HB HIS 24 -7.208 -10.659 4.582 178 HD1 HIS 24 1HD HIS 24 -9.043 -9.149 5.356 179 HD2 HIS 24 2HD HIS 24 -6.222 -7.183 3.026 180 HE1 HIS 24 1HE HIS 24 -9.660 -6.715 5.460 181 HE2 HIS 24 2HE HIS 24 -8.111 -5.582 3.825 182 H ASN 25 H ASN 25 -3.586 -11.451 2.755 183 HA ASN 25 HA ASN 25 -4.030 -13.748 4.512 184 1HB ASN 25 2HB ASN 25 -3.272 -13.378 1.768 185 2HB ASN 25 1HB ASN 25 -1.997 -14.265 2.592 186 1HD2 ASN 25 1HD2 ASN 25 -4.599 -14.656 0.772 187 2HD2 ASN 25 2HD2 ASN 25 -5.176 -16.184 1.339 188 H ASN 26 H ASN 26 -1.149 -12.243 3.059 189 HA ASN 26 HA ASN 26 0.297 -12.636 5.589 190 1HB ASN 26 2HB ASN 26 1.038 -12.811 2.838 191 2HB ASN 26 1HB ASN 26 1.967 -11.506 3.572 192 1HD2 ASN 26 1HD2 ASN 26 2.610 -14.301 2.638 193 2HD2 ASN 26 2HD2 ASN 26 3.459 -15.011 3.978 194 H ARG 27 H ARG 27 -1.325 -10.326 3.784 195 HA ARG 27 HA ARG 27 -1.872 -8.189 4.170 196 1HB ARG 27 2HB ARG 27 -0.482 -8.736 6.771 197 2HB ARG 27 1HB ARG 27 -1.165 -7.157 6.390 198 1HG ARG 27 2HG ARG 27 -3.323 -7.917 6.441 199 2HG ARG 27 1HG ARG 27 -2.859 -9.581 6.075 200 1HD ARG 27 2HD ARG 27 -1.603 -9.059 8.477 201 2HD ARG 27 1HD ARG 27 -3.159 -8.243 8.632 202 HE ARG 27 HE ARG 27 -2.797 -11.116 8.088 203 1HH1 ARG 27 2HH1 ARG 27 -4.707 -8.440 9.276 204 2HH1 ARG 27 1HH1 ARG 27 -5.982 -9.457 9.878 205 1HH2 ARG 27 2HH2 ARG 27 -4.479 -12.455 8.875 206 2HH2 ARG 27 1HH2 ARG 27 -5.854 -11.725 9.650 207 H SER 28 H SER 28 0.226 -8.613 2.492 208 HA SER 28 HA SER 28 2.212 -6.592 2.911 209 1HB SER 28 2HB SER 28 1.628 -7.287 0.127 210 2HB SER 28 1HB SER 28 3.124 -7.489 1.044 211 HG SER 28 HG SER 28 2.511 -9.461 1.682 212 H THR 29 H THR 29 2.097 -4.448 2.339 213 HA THR 29 HA THR 29 -0.496 -3.529 1.271 214 HB THR 29 HB THR 29 0.706 -1.380 2.612 215 HG1 THR 29 1HG THR 29 0.734 -3.720 4.251 216 1HG2 THR 29 1HG2 THR 29 -1.268 -2.958 4.121 217 2HG2 THR 29 2HG2 THR 29 -1.743 -2.528 2.480 218 3HG2 THR 29 3HG2 THR 29 -1.305 -1.264 3.630 219 H GLN 30 H GLN 30 0.510 -3.764 -0.857 220 HA GLN 30 HA GLN 30 2.615 -1.788 -1.415 221 1HB GLN 30 2HB GLN 30 2.963 -3.153 -3.523 222 2HB GLN 30 1HB GLN 30 3.420 -3.922 -2.012 223 1HG GLN 30 2HG GLN 30 1.262 -5.161 -2.065 224 2HG GLN 30 1HG GLN 30 0.942 -4.452 -3.639 225 1HE2 GLN 30 1HE2 GLN 30 1.283 -5.828 -5.144 226 2HE2 GLN 30 2HE2 GLN 30 2.548 -6.997 -5.205 227 H TRP 31 H TRP 31 2.343 -0.226 -3.011 228 HA TRP 31 HA TRP 31 -0.354 -0.005 -4.068 229 1HB TRP 31 2HB TRP 31 1.296 2.125 -5.036 230 2HB TRP 31 1HB TRP 31 -0.090 2.205 -3.966 231 HD1 TRP 31 HD TRP 31 3.686 1.458 -3.616 232 HE1 TRP 31 1HE TRP 31 4.517 2.531 -1.436 233 HE3 TRP 31 3HE TRP 31 -0.732 3.381 -1.956 234 HZ2 TRP 31 2HZ TRP 31 3.435 4.022 0.703 235 HZ3 TRP 31 3HZ TRP 31 -0.752 4.631 0.161 236 HH2 TRP 31 HH TRP 31 1.286 4.949 1.459 237 H HIS 32 H HIS 32 2.064 -1.766 -4.994 238 HA HIS 32 HA HIS 32 1.507 -1.290 -7.842 239 1HB HIS 32 2HB HIS 32 3.542 -2.702 -8.300 240 2HB HIS 32 1HB HIS 32 3.883 -1.161 -7.530 241 HD1 HIS 32 1HD HIS 32 3.961 -4.860 -6.914 242 HD2 HIS 32 2HD HIS 32 5.010 -1.327 -4.976 243 HE1 HIS 32 1HE HIS 32 5.306 -5.553 -4.905 244 HE2 HIS 32 2HE HIS 32 5.813 -3.421 -3.678 245 H ARG 33 H ARG 33 0.484 -2.876 -8.965 246 HA ARG 33 HA ARG 33 -0.875 -4.785 -7.290 247 1HB ARG 33 2HB ARG 33 -1.808 -3.373 -9.278 248 2HB ARG 33 1HB ARG 33 -1.203 -4.702 -10.262 249 1HG ARG 33 2HG ARG 33 -2.595 -6.265 -9.103 250 2HG ARG 33 1HG ARG 33 -3.090 -5.034 -7.945 251 1HD ARG 33 2HD ARG 33 -4.476 -5.739 -10.194 252 2HD ARG 33 1HD ARG 33 -4.668 -4.232 -9.304 253 HE ARG 33 HE ARG 33 -2.650 -4.241 -11.408 254 1HH1 ARG 33 2HH1 ARG 33 -5.933 -3.453 -10.434 255 2HH1 ARG 33 1HH1 ARG 33 -6.172 -2.315 -11.727 256 1HH2 ARG 33 2HH2 ARG 33 -2.983 -2.754 -13.115 257 2HH2 ARG 33 1HH2 ARG 33 -4.509 -1.938 -13.268 258 HA PRO 34 HA PRO 34 1.826 -8.242 -8.071 259 1HB PRO 34 2HB PRO 34 -0.079 -10.129 -7.338 260 2HB PRO 34 1HB PRO 34 1.053 -9.340 -6.240 261 1HG PRO 34 2HG PRO 34 -1.821 -8.753 -6.735 262 2HG PRO 34 1HG PRO 34 -0.878 -8.613 -5.243 263 1HD PRO 34 2HD PRO 34 -1.592 -6.475 -6.741 264 2HD PRO 34 1HD PRO 34 -0.104 -6.527 -5.777 265 H SER 35 H SER 35 2.036 -8.322 -10.254 266 HA SER 35 HA SER 35 -0.106 -8.585 -12.067 267 1HB SER 35 2HB SER 35 2.337 -9.420 -13.275 268 2HB SER 35 1HB SER 35 1.510 -7.868 -13.434 269 HG SER 35 HG SER 35 3.676 -8.585 -11.843 270 H LEU 36 H LEU 36 -1.103 -10.300 -12.854 271 HA LEU 36 HA LEU 36 0.254 -12.889 -12.866 272 1HB LEU 36 2HB LEU 36 -1.954 -12.202 -11.166 273 2HB LEU 36 1HB LEU 36 -2.489 -13.385 -12.343 274 HG LEU 36 HG LEU 36 -0.679 -13.697 -10.037 275 1HD1 LEU 36 1HD1 LEU 36 -2.336 -15.693 -11.565 276 2HD1 LEU 36 2HD1 LEU 36 -1.671 -15.869 -9.942 277 3HD1 LEU 36 3HD1 LEU 36 -2.947 -14.691 -10.248 278 1HD2 LEU 36 1HD2 LEU 36 0.228 -14.400 -12.690 279 2HD2 LEU 36 2HD2 LEU 36 1.085 -14.471 -11.149 280 3HD2 LEU 36 3HD2 LEU 36 0.073 -15.823 -11.660 Start of MODEL 9 1 1H GLY 1 1H GLY 1 -7.200 -14.437 -14.761 2 2H GLY 1 2H GLY 1 -8.550 -15.170 -15.478 3 3H GLY 1 3H GLY 1 -7.491 -16.092 -14.523 4 1HA GLY 1 2HA GLY 1 -9.079 -15.764 -12.974 5 2HA GLY 1 1HA GLY 1 -8.138 -14.301 -12.725 6 H SER 2 H SER 2 -11.176 -15.304 -12.846 7 HA SER 2 HA SER 2 -12.378 -13.441 -14.627 8 1HB SER 2 2HB SER 2 -13.971 -14.347 -12.305 9 2HB SER 2 1HB SER 2 -14.347 -14.403 -14.027 10 HG SER 2 HG SER 2 -14.052 -16.499 -13.255 11 HA PRO 3 HA PRO 3 -12.842 -10.587 -10.775 12 1HB PRO 3 2HB PRO 3 -11.163 -11.741 -8.678 13 2HB PRO 3 1HB PRO 3 -12.851 -11.232 -8.592 14 1HG PRO 3 2HG PRO 3 -12.115 -13.831 -8.476 15 2HG PRO 3 1HG PRO 3 -13.645 -13.306 -9.203 16 1HD PRO 3 2HD PRO 3 -11.069 -14.060 -10.544 17 2HD PRO 3 1HD PRO 3 -12.736 -14.483 -10.990 18 HA PRO 4 HA PRO 4 -8.974 -8.853 -12.179 19 1HB PRO 4 2HB PRO 4 -9.801 -6.526 -10.545 20 2HB PRO 4 1HB PRO 4 -9.421 -6.612 -12.268 21 1HG PRO 4 2HG PRO 4 -11.941 -6.330 -11.432 22 2HG PRO 4 1HG PRO 4 -11.546 -7.337 -12.837 23 1HD PRO 4 2HD PRO 4 -12.190 -8.168 -10.032 24 2HD PRO 4 1HD PRO 4 -12.700 -8.897 -11.569 25 H LEU 5 H LEU 5 -9.978 -9.013 -8.855 26 HA LEU 5 HA LEU 5 -7.179 -8.723 -7.997 27 1HB LEU 5 2HB LEU 5 -9.418 -7.375 -7.106 28 2HB LEU 5 1HB LEU 5 -9.209 -8.634 -5.902 29 HG LEU 5 HG LEU 5 -7.099 -7.826 -5.252 30 1HD1 LEU 5 1HD1 LEU 5 -5.919 -6.019 -6.455 31 2HD1 LEU 5 2HD1 LEU 5 -6.067 -7.508 -7.387 32 3HD1 LEU 5 3HD1 LEU 5 -7.118 -6.140 -7.742 33 1HD2 LEU 5 1HD2 LEU 5 -9.191 -5.774 -5.650 34 2HD2 LEU 5 2HD2 LEU 5 -8.436 -6.360 -4.167 35 3HD2 LEU 5 3HD2 LEU 5 -7.583 -5.206 -5.194 36 HA PRO 6 HA PRO 6 -7.374 -13.061 -6.957 37 1HB PRO 6 2HB PRO 6 -5.081 -12.505 -5.202 38 2HB PRO 6 1HB PRO 6 -5.181 -13.567 -6.608 39 1HG PRO 6 2HG PRO 6 -3.808 -11.255 -6.674 40 2HG PRO 6 1HG PRO 6 -4.675 -11.873 -8.092 41 1HD PRO 6 2HD PRO 6 -5.477 -9.724 -6.164 42 2HD PRO 6 1HD PRO 6 -5.642 -9.771 -7.930 43 HA PRO 7 HA PRO 7 -9.580 -13.262 -3.179 44 1HB PRO 7 2HB PRO 7 -8.203 -15.812 -2.581 45 2HB PRO 7 1HB PRO 7 -9.925 -15.484 -2.788 46 1HG PRO 7 2HG PRO 7 -8.531 -16.787 -4.657 47 2HG PRO 7 1HG PRO 7 -9.815 -15.643 -5.090 48 1HD PRO 7 2HD PRO 7 -6.848 -15.278 -5.153 49 2HD PRO 7 1HD PRO 7 -8.077 -14.716 -6.304 50 H GLY 8 H GLY 8 -8.821 -11.727 -1.795 51 1HA GLY 8 1HA GLY 8 -8.019 -11.694 0.547 52 2HA GLY 8 2HA GLY 8 -6.607 -12.575 -0.025 53 H TRP 9 H TRP 9 -7.626 -10.243 -2.247 54 HA TRP 9 HA TRP 9 -5.677 -8.311 -1.170 55 1HB TRP 9 2HB TRP 9 -6.563 -8.910 -3.986 56 2HB TRP 9 1HB TRP 9 -5.714 -7.424 -3.572 57 HD1 TRP 9 HD TRP 9 -5.188 -11.149 -4.034 58 HE1 TRP 9 1HE TRP 9 -2.666 -11.658 -4.023 59 HE3 TRP 9 3HE TRP 9 -3.466 -6.566 -2.598 60 HZ2 TRP 9 2HZ TRP 9 -0.257 -10.283 -3.464 61 HZ3 TRP 9 3HZ TRP 9 -1.046 -6.245 -2.338 62 HH2 TRP 9 HH TRP 9 0.530 -8.063 -2.763 63 H GLU 10 H GLU 10 -6.268 -6.167 -0.926 64 HA GLU 10 HA GLU 10 -9.064 -5.507 -1.553 65 1HB GLU 10 2HB GLU 10 -8.938 -6.126 0.793 66 2HB GLU 10 1HB GLU 10 -7.609 -5.010 1.048 67 1HG GLU 10 2HG GLU 10 -9.020 -3.132 0.752 68 2HG GLU 10 1HG GLU 10 -10.339 -4.142 0.168 69 H GLU 11 H GLU 11 -9.172 -3.761 -2.776 70 HA GLU 11 HA GLU 11 -6.875 -2.045 -3.170 71 1HB GLU 11 2HB GLU 11 -8.653 -2.825 -4.900 72 2HB GLU 11 1HB GLU 11 -9.642 -1.534 -4.235 73 1HG GLU 11 2HG GLU 11 -8.000 0.110 -4.861 74 2HG GLU 11 1HG GLU 11 -6.902 -1.154 -5.413 75 H LYS 12 H LYS 12 -6.432 -0.442 -1.819 76 HA LYS 12 HA LYS 12 -8.642 1.098 -0.616 77 1HB LYS 12 2HB LYS 12 -6.682 -0.562 0.715 78 2HB LYS 12 1HB LYS 12 -6.492 1.112 1.208 79 1HG LYS 12 2HG LYS 12 -9.006 1.078 1.657 80 2HG LYS 12 1HG LYS 12 -8.869 -0.676 1.531 81 1HD LYS 12 2HD LYS 12 -6.860 0.590 3.261 82 2HD LYS 12 1HD LYS 12 -8.524 0.737 3.832 83 1HE LYS 12 2HE LYS 12 -7.555 -1.917 2.890 84 2HE LYS 12 1HE LYS 12 -7.025 -1.339 4.466 85 1HZ LYS 12 1HZ LYS 12 -9.880 -1.158 3.896 86 2HZ LYS 12 2HZ LYS 12 -9.087 -1.557 5.339 87 3HZ LYS 12 3HZ LYS 12 -9.247 -2.720 4.110 88 H VAL 13 H VAL 13 -8.209 3.323 -0.343 89 HA VAL 13 HA VAL 13 -5.661 4.256 -1.478 90 HB VAL 13 HB VAL 13 -8.278 5.691 -1.013 91 1HG1 VAL 13 1HG1 VAL 13 -5.635 6.900 -1.809 92 2HG1 VAL 13 2HG1 VAL 13 -7.191 7.730 -1.844 93 3HG1 VAL 13 3HG1 VAL 13 -6.509 7.196 -0.307 94 1HG2 VAL 13 1HG2 VAL 13 -8.166 6.104 -3.410 95 2HG2 VAL 13 2HG2 VAL 13 -6.615 5.267 -3.491 96 3HG2 VAL 13 3HG2 VAL 13 -8.080 4.375 -3.069 97 H ASP 14 H ASP 14 -4.111 4.928 -0.143 98 HA ASP 14 HA ASP 14 -4.810 5.333 2.674 99 1HB ASP 14 2HB ASP 14 -3.024 3.677 2.025 100 2HB ASP 14 1HB ASP 14 -2.049 5.040 1.487 101 H ASN 15 H ASN 15 -2.056 6.673 0.916 102 HA ASN 15 HA ASN 15 -2.433 9.190 2.245 103 1HB ASN 15 2HB ASN 15 -0.215 7.874 1.420 104 2HB ASN 15 1HB ASN 15 -0.412 9.017 0.095 105 1HD2 ASN 15 1HD2 ASN 15 -0.402 11.274 0.570 106 2HD2 ASN 15 2HD2 ASN 15 0.380 11.861 2.000 107 H LEU 16 H LEU 16 -4.615 9.305 1.077 108 HA LEU 16 HA LEU 16 -5.970 10.501 -0.321 109 1HB LEU 16 2HB LEU 16 -3.662 12.415 -0.218 110 2HB LEU 16 1HB LEU 16 -5.341 12.817 -0.511 111 HG LEU 16 HG LEU 16 -4.713 11.455 2.052 112 1HD1 LEU 16 1HD1 LEU 16 -4.342 14.400 1.982 113 2HD1 LEU 16 2HD1 LEU 16 -3.686 13.198 3.096 114 3HD1 LEU 16 3HD1 LEU 16 -2.997 13.372 1.483 115 1HD2 LEU 16 1HD2 LEU 16 -6.822 12.057 2.385 116 2HD2 LEU 16 2HD2 LEU 16 -6.318 13.746 2.349 117 3HD2 LEU 16 3HD2 LEU 16 -6.843 12.952 0.867 118 H GLY 17 H GLY 17 -4.972 8.694 -1.971 119 1HA GLY 17 1HA GLY 17 -5.589 9.359 -4.413 120 2HA GLY 17 2HA GLY 17 -4.041 10.181 -4.328 121 H ARG 18 H ARG 18 -2.899 7.973 -2.663 122 HA ARG 18 HA ARG 18 -2.140 6.361 -4.957 123 1HB ARG 18 2HB ARG 18 -0.892 5.473 -2.510 124 2HB ARG 18 1HB ARG 18 -0.150 6.123 -3.958 125 1HG ARG 18 2HG ARG 18 -0.981 8.412 -2.923 126 2HG ARG 18 1HG ARG 18 -0.892 7.479 -1.427 127 1HD ARG 18 2HD ARG 18 1.332 7.578 -1.403 128 2HD ARG 18 1HD ARG 18 1.438 7.046 -3.082 129 HE ARG 18 HE ARG 18 1.139 9.366 -3.741 130 1HH1 ARG 18 2HH1 ARG 18 2.138 8.716 -0.453 131 2HH1 ARG 18 1HH1 ARG 18 2.693 10.340 -0.165 132 1HH2 ARG 18 2HH2 ARG 18 1.863 11.490 -3.382 133 2HH2 ARG 18 1HH2 ARG 18 2.533 11.925 -1.831 134 H THR 19 H THR 19 -3.515 4.819 -5.454 135 HA THR 19 HA THR 19 -5.020 3.362 -3.516 136 HB THR 19 HB THR 19 -4.799 2.052 -6.089 137 HG1 THR 19 1HG THR 19 -6.024 4.133 -6.954 138 1HG2 THR 19 1HG2 THR 19 -6.672 2.014 -4.329 139 2HG2 THR 19 2HG2 THR 19 -7.142 2.109 -6.026 140 3HG2 THR 19 3HG2 THR 19 -7.171 3.558 -5.022 141 H TYR 20 H TYR 20 -4.108 1.913 -2.236 142 HA TYR 20 HA TYR 20 -2.006 0.226 -3.377 143 1HB TYR 20 2HB TYR 20 -0.960 0.027 -1.297 144 2HB TYR 20 1HB TYR 20 -1.401 1.722 -1.386 145 HD1 TYR 20 1HD TYR 20 -1.629 -1.295 0.475 146 HD2 TYR 20 2HD TYR 20 -3.531 2.452 -0.146 147 HE1 TYR 20 1HE TYR 20 -2.740 -1.503 2.650 148 HE2 TYR 20 2HE TYR 20 -4.663 2.250 2.025 149 HH TYR 20 HH TYR 20 -4.493 1.114 4.102 150 H TYR 21 H TYR 21 -1.933 -1.972 -2.627 151 HA TYR 21 HA TYR 21 -4.687 -2.969 -2.402 152 1HB TYR 21 2HB TYR 21 -2.343 -4.080 -3.970 153 2HB TYR 21 1HB TYR 21 -3.832 -4.971 -3.692 154 HD1 TYR 21 1HD TYR 21 -3.656 -1.336 -4.402 155 HD2 TYR 21 2HD TYR 21 -4.538 -5.188 -5.955 156 HE1 TYR 21 1HE TYR 21 -4.661 -0.294 -6.385 157 HE2 TYR 21 2HE TYR 21 -5.558 -4.157 -7.937 158 HH TYR 21 HH TYR 21 -6.574 -1.156 -8.142 159 H VAL 22 H VAL 22 -4.943 -3.608 -0.418 160 HA VAL 22 HA VAL 22 -2.643 -4.560 1.094 161 HB VAL 22 HB VAL 22 -3.863 -2.857 2.200 162 1HG1 VAL 22 1HG1 VAL 22 -6.381 -4.089 2.738 163 2HG1 VAL 22 2HG1 VAL 22 -6.027 -2.508 2.042 164 3HG1 VAL 22 3HG1 VAL 22 -6.126 -3.925 1.002 165 1HG2 VAL 22 1HG2 VAL 22 -4.536 -5.490 3.484 166 2HG2 VAL 22 2HG2 VAL 22 -3.029 -4.594 3.668 167 3HG2 VAL 22 3HG2 VAL 22 -4.535 -3.922 4.296 168 H ASN 23 H ASN 23 -2.235 -6.604 0.889 169 HA ASN 23 HA ASN 23 -4.155 -8.618 0.377 170 1HB ASN 23 2HB ASN 23 -1.691 -8.753 -0.135 171 2HB ASN 23 1HB ASN 23 -1.408 -8.977 1.589 172 1HD2 ASN 23 1HD2 ASN 23 -2.767 -10.386 -1.298 173 2HD2 ASN 23 2HD2 ASN 23 -2.831 -12.004 -0.699 174 H HIS 24 H HIS 24 -5.185 -10.030 1.779 175 HA HIS 24 HA HIS 24 -5.249 -9.106 4.563 176 1HB HIS 24 2HB HIS 24 -7.213 -10.452 2.758 177 2HB HIS 24 1HB HIS 24 -7.362 -10.701 4.493 178 HD1 HIS 24 1HD HIS 24 -9.591 -9.389 4.578 179 HD2 HIS 24 2HD HIS 24 -6.348 -7.168 3.208 180 HE1 HIS 24 1HE HIS 24 -10.347 -6.993 4.619 181 HE2 HIS 24 2HE HIS 24 -8.438 -5.679 3.636 182 H ASN 25 H ASN 25 -3.837 -11.492 2.762 183 HA ASN 25 HA ASN 25 -4.080 -13.581 4.798 184 1HB ASN 25 2HB ASN 25 -3.738 -13.575 1.973 185 2HB ASN 25 1HB ASN 25 -2.302 -14.306 2.675 186 1HD2 ASN 25 1HD2 ASN 25 -5.324 -14.914 1.556 187 2HD2 ASN 25 2HD2 ASN 25 -5.629 -16.413 2.354 188 H ASN 26 H ASN 26 -1.595 -11.715 3.103 189 HA ASN 26 HA ASN 26 0.293 -12.366 5.274 190 1HB ASN 26 2HB ASN 26 0.950 -13.182 3.043 191 2HB ASN 26 1HB ASN 26 0.858 -11.542 2.416 192 1HD2 ASN 26 1HD2 ASN 26 2.391 -13.312 5.097 193 2HD2 ASN 26 2HD2 ASN 26 3.933 -12.527 4.946 194 H ARG 27 H ARG 27 -1.668 -9.973 4.134 195 HA ARG 27 HA ARG 27 -1.758 -7.738 4.100 196 1HB ARG 27 2HB ARG 27 -1.446 -8.611 6.625 197 2HB ARG 27 1HB ARG 27 -0.140 -7.428 6.526 198 1HG ARG 27 2HG ARG 27 -1.914 -5.858 5.558 199 2HG ARG 27 1HG ARG 27 -3.078 -7.044 6.159 200 1HD ARG 27 2HD ARG 27 -2.992 -5.858 8.070 201 2HD ARG 27 1HD ARG 27 -1.458 -6.688 8.331 202 HE ARG 27 HE ARG 27 -0.321 -4.731 7.848 203 1HH1 ARG 27 2HH1 ARG 27 -3.744 -4.335 7.186 204 2HH1 ARG 27 1HH1 ARG 27 -3.629 -2.613 6.998 205 1HH2 ARG 27 2HH2 ARG 27 -0.191 -2.443 7.619 206 2HH2 ARG 27 1HH2 ARG 27 -1.630 -1.543 7.236 207 H SER 28 H SER 28 0.237 -8.518 2.417 208 HA SER 28 HA SER 28 2.438 -6.702 2.739 209 1HB SER 28 2HB SER 28 1.785 -7.560 0.007 210 2HB SER 28 1HB SER 28 3.276 -7.775 0.927 211 HG SER 28 HG SER 28 2.587 -9.666 1.655 212 H THR 29 H THR 29 2.239 -4.545 2.500 213 HA THR 29 HA THR 29 -0.238 -3.554 1.274 214 HB THR 29 HB THR 29 0.718 -1.396 2.578 215 HG1 THR 29 1HG THR 29 2.290 -1.984 3.874 216 1HG2 THR 29 1HG2 THR 29 -0.615 -3.507 4.227 217 2HG2 THR 29 2HG2 THR 29 -1.454 -2.843 2.825 218 3HG2 THR 29 3HG2 THR 29 -0.950 -1.776 4.135 219 H GLN 30 H GLN 30 0.550 -3.661 -0.843 220 HA GLN 30 HA GLN 30 2.763 -1.849 -1.518 221 1HB GLN 30 2HB GLN 30 2.594 -3.129 -3.778 222 2HB GLN 30 1HB GLN 30 3.360 -3.909 -2.402 223 1HG GLN 30 2HG GLN 30 2.012 -5.628 -2.771 224 2HG GLN 30 1HG GLN 30 0.698 -4.624 -2.175 225 1HE2 GLN 30 1HE2 GLN 30 2.021 -6.221 -4.831 226 2HE2 GLN 30 2HE2 GLN 30 0.874 -5.716 -6.016 227 H TRP 31 H TRP 31 2.523 -0.314 -3.207 228 HA TRP 31 HA TRP 31 -0.237 0.389 -3.797 229 1HB TRP 31 2HB TRP 31 2.075 1.986 -4.810 230 2HB TRP 31 1HB TRP 31 0.474 2.515 -4.358 231 HD1 TRP 31 HD TRP 31 3.857 1.669 -2.840 232 HE1 TRP 31 1HE TRP 31 4.013 2.716 -0.498 233 HE3 TRP 31 3HE TRP 31 -0.928 3.343 -2.424 234 HZ2 TRP 31 2HZ TRP 31 2.313 4.084 1.292 235 HZ3 TRP 31 3HZ TRP 31 -1.593 4.523 -0.366 236 HH2 TRP 31 HH TRP 31 -0.005 4.886 1.455 237 H HIS 32 H HIS 32 1.851 -1.682 -5.149 238 HA HIS 32 HA HIS 32 1.095 -0.907 -7.889 239 1HB HIS 32 2HB HIS 32 3.141 -2.370 -8.550 240 2HB HIS 32 1HB HIS 32 3.406 -0.729 -7.979 241 HD1 HIS 32 1HD HIS 32 3.236 -4.179 -6.356 242 HD2 HIS 32 2HD HIS 32 5.436 -0.655 -6.214 243 HE1 HIS 32 1HE HIS 32 5.037 -4.576 -4.649 244 HE2 HIS 32 2HE HIS 32 6.426 -2.470 -4.650 245 H ARG 33 H ARG 33 -0.758 -2.004 -7.973 246 HA ARG 33 HA ARG 33 -1.677 -4.316 -7.030 247 1HB ARG 33 2HB ARG 33 -3.159 -3.156 -8.374 248 2HB ARG 33 1HB ARG 33 -2.011 -3.005 -9.696 249 1HG ARG 33 2HG ARG 33 -2.301 -5.587 -9.871 250 2HG ARG 33 1HG ARG 33 -3.801 -5.280 -8.990 251 1HD ARG 33 2HD ARG 33 -4.738 -4.113 -10.718 252 2HD ARG 33 1HD ARG 33 -3.180 -3.575 -11.343 253 HE ARG 33 HE ARG 33 -4.527 -6.102 -11.908 254 1HH1 ARG 33 2HH1 ARG 33 -1.627 -4.135 -12.246 255 2HH1 ARG 33 1HH1 ARG 33 -1.018 -5.056 -13.594 256 1HH2 ARG 33 2HH2 ARG 33 -3.723 -7.300 -13.672 257 2HH2 ARG 33 1HH2 ARG 33 -2.219 -6.836 -14.413 258 HA PRO 34 HA PRO 34 0.987 -7.641 -8.300 259 1HB PRO 34 2HB PRO 34 -0.836 -9.637 -7.749 260 2HB PRO 34 1HB PRO 34 0.230 -8.894 -6.554 261 1HG PRO 34 2HG PRO 34 -2.648 -8.359 -7.124 262 2HG PRO 34 1HG PRO 34 -1.797 -8.386 -5.572 263 1HD PRO 34 2HD PRO 34 -2.483 -6.090 -6.817 264 2HD PRO 34 1HD PRO 34 -1.022 -6.231 -5.820 265 H SER 35 H SER 35 1.070 -9.301 -9.896 266 HA SER 35 HA SER 35 -0.284 -8.597 -12.296 267 1HB SER 35 2HB SER 35 1.068 -11.214 -12.233 268 2HB SER 35 1HB SER 35 1.316 -9.837 -13.309 269 HG SER 35 HG SER 35 2.584 -8.860 -11.744 270 H LEU 36 H LEU 36 -2.436 -8.964 -12.332 271 HA LEU 36 HA LEU 36 -3.253 -11.774 -12.347 272 1HB LEU 36 2HB LEU 36 -3.930 -10.147 -10.259 273 2HB LEU 36 1HB LEU 36 -5.282 -9.882 -11.343 274 HG LEU 36 HG LEU 36 -5.487 -11.717 -9.547 275 1HD1 LEU 36 1HD1 LEU 36 -6.778 -11.311 -11.849 276 2HD1 LEU 36 2HD1 LEU 36 -6.097 -12.902 -12.183 277 3HD1 LEU 36 3HD1 LEU 36 -7.133 -12.664 -10.775 278 1HD2 LEU 36 1HD2 LEU 36 -4.688 -13.941 -10.803 279 2HD2 LEU 36 2HD2 LEU 36 -3.414 -12.841 -11.330 280 3HD2 LEU 36 3HD2 LEU 36 -3.695 -13.104 -9.608 Start of MODEL 10 1 1H GLY 1 1H GLY 1 -9.808 0.296 -15.644 2 2H GLY 1 2H GLY 1 -11.119 -0.761 -15.856 3 3H GLY 1 3H GLY 1 -9.534 -1.349 -15.948 4 1HA GLY 1 2HA GLY 1 -10.238 -0.002 -13.476 5 2HA GLY 1 1HA GLY 1 -11.019 -1.552 -13.762 6 H SER 2 H SER 2 -9.796 -2.334 -11.920 7 HA SER 2 HA SER 2 -6.936 -2.693 -12.421 8 1HB SER 2 2HB SER 2 -8.210 -3.717 -9.930 9 2HB SER 2 1HB SER 2 -6.649 -2.927 -10.152 10 HG SER 2 HG SER 2 -8.630 -1.792 -9.100 11 HA PRO 3 HA PRO 3 -7.506 -6.845 -13.943 12 1HB PRO 3 2HB PRO 3 -4.867 -7.257 -12.622 13 2HB PRO 3 1HB PRO 3 -5.361 -7.609 -14.282 14 1HG PRO 3 2HG PRO 3 -3.817 -5.515 -13.763 15 2HG PRO 3 1HG PRO 3 -5.121 -5.399 -14.960 16 1HD PRO 3 2HD PRO 3 -5.033 -4.376 -12.150 17 2HD PRO 3 1HD PRO 3 -5.723 -3.623 -13.602 18 HA PRO 4 HA PRO 4 -9.192 -9.367 -10.772 19 1HB PRO 4 2HB PRO 4 -7.753 -11.742 -11.296 20 2HB PRO 4 1HB PRO 4 -9.338 -11.296 -11.930 21 1HG PRO 4 2HG PRO 4 -6.655 -11.051 -13.188 22 2HG PRO 4 1HG PRO 4 -8.230 -11.374 -13.939 23 1HD PRO 4 2HD PRO 4 -7.070 -8.978 -14.155 24 2HD PRO 4 1HD PRO 4 -8.827 -9.123 -13.935 25 H LEU 5 H LEU 5 -8.776 -9.443 -8.691 26 HA LEU 5 HA LEU 5 -5.984 -9.404 -7.798 27 1HB LEU 5 2HB LEU 5 -8.286 -7.944 -7.086 28 2HB LEU 5 1HB LEU 5 -7.946 -8.987 -5.720 29 HG LEU 5 HG LEU 5 -5.793 -8.024 -5.398 30 1HD1 LEU 5 1HD1 LEU 5 -5.015 -6.161 -6.911 31 2HD1 LEU 5 2HD1 LEU 5 -4.941 -7.789 -7.586 32 3HD1 LEU 5 3HD1 LEU 5 -6.245 -6.698 -8.057 33 1HD2 LEU 5 1HD2 LEU 5 -7.808 -6.737 -4.642 34 2HD2 LEU 5 2HD2 LEU 5 -6.343 -5.780 -4.859 35 3HD2 LEU 5 3HD2 LEU 5 -7.617 -5.729 -6.078 36 HA PRO 6 HA PRO 6 -6.360 -13.595 -6.296 37 1HB PRO 6 2HB PRO 6 -4.292 -12.782 -4.347 38 2HB PRO 6 1HB PRO 6 -4.253 -14.069 -5.555 39 1HG PRO 6 2HG PRO 6 -2.820 -11.830 -5.864 40 2HG PRO 6 1HG PRO 6 -3.580 -12.640 -7.247 41 1HD PRO 6 2HD PRO 6 -4.466 -10.199 -5.756 42 2HD PRO 6 1HD PRO 6 -4.487 -10.522 -7.501 43 HA PRO 7 HA PRO 7 -9.149 -13.335 -2.926 44 1HB PRO 7 2HB PRO 7 -7.945 -15.861 -1.929 45 2HB PRO 7 1HB PRO 7 -9.626 -15.500 -2.340 46 1HG PRO 7 2HG PRO 7 -8.129 -16.996 -3.953 47 2HG PRO 7 1HG PRO 7 -9.272 -15.811 -4.615 48 1HD PRO 7 2HD PRO 7 -6.299 -15.629 -4.336 49 2HD PRO 7 1HD PRO 7 -7.339 -15.088 -5.668 50 H GLY 8 H GLY 8 -8.620 -11.728 -1.562 51 1HA GLY 8 1HA GLY 8 -8.089 -11.639 0.913 52 2HA GLY 8 2HA GLY 8 -6.515 -12.270 0.440 53 H TRP 9 H TRP 9 -6.816 -10.570 -2.084 54 HA TRP 9 HA TRP 9 -5.536 -8.227 -0.952 55 1HB TRP 9 2HB TRP 9 -6.014 -9.136 -3.793 56 2HB TRP 9 1HB TRP 9 -5.229 -7.615 -3.383 57 HD1 TRP 9 HD TRP 9 -4.658 -11.406 -3.265 58 HE1 TRP 9 1HE TRP 9 -2.133 -11.834 -2.992 59 HE3 TRP 9 3HE TRP 9 -3.097 -6.601 -2.496 60 HZ2 TRP 9 2HZ TRP 9 0.208 -10.332 -2.493 61 HZ3 TRP 9 3HZ TRP 9 -0.708 -6.185 -2.116 62 HH2 TRP 9 HH TRP 9 0.912 -8.009 -2.118 63 H GLU 10 H GLU 10 -6.391 -6.239 -0.807 64 HA GLU 10 HA GLU 10 -9.079 -5.807 -1.938 65 1HB GLU 10 2HB GLU 10 -9.137 -6.213 0.504 66 2HB GLU 10 1HB GLU 10 -8.041 -4.865 0.743 67 1HG GLU 10 2HG GLU 10 -10.034 -3.673 -0.656 68 2HG GLU 10 1HG GLU 10 -10.921 -4.896 0.254 69 H GLU 11 H GLU 11 -9.430 -3.861 -2.932 70 HA GLU 11 HA GLU 11 -7.131 -2.205 -3.478 71 1HB GLU 11 2HB GLU 11 -9.246 -2.853 -4.979 72 2HB GLU 11 1HB GLU 11 -9.866 -1.361 -4.289 73 1HG GLU 11 2HG GLU 11 -7.970 -0.137 -5.154 74 2HG GLU 11 1HG GLU 11 -7.269 -1.627 -5.784 75 H LYS 12 H LYS 12 -6.502 -0.617 -2.170 76 HA LYS 12 HA LYS 12 -8.550 0.850 -0.644 77 1HB LYS 12 2HB LYS 12 -6.519 -0.867 0.390 78 2HB LYS 12 1HB LYS 12 -6.128 0.784 0.848 79 1HG LYS 12 2HG LYS 12 -8.199 1.054 1.965 80 2HG LYS 12 1HG LYS 12 -8.819 -0.450 1.292 81 1HD LYS 12 2HD LYS 12 -8.083 -1.516 3.096 82 2HD LYS 12 1HD LYS 12 -6.434 -1.110 2.615 83 1HE LYS 12 2HE LYS 12 -6.321 -0.001 4.550 84 2HE LYS 12 1HE LYS 12 -7.314 1.219 3.756 85 1HZ LYS 12 1HZ LYS 12 -8.255 0.603 5.877 86 2HZ LYS 12 2HZ LYS 12 -8.318 -1.027 5.420 87 3HZ LYS 12 3HZ LYS 12 -9.291 0.114 4.624 88 H VAL 13 H VAL 13 -7.823 2.980 0.085 89 HA VAL 13 HA VAL 13 -5.544 4.010 -1.467 90 HB VAL 13 HB VAL 13 -8.278 5.047 -1.261 91 1HG1 VAL 13 1HG1 VAL 13 -7.818 7.355 -1.067 92 2HG1 VAL 13 2HG1 VAL 13 -7.015 6.583 0.301 93 3HG1 VAL 13 3HG1 VAL 13 -6.076 7.081 -1.107 94 1HG2 VAL 13 1HG2 VAL 13 -6.136 6.045 -3.083 95 2HG2 VAL 13 2HG2 VAL 13 -6.798 4.421 -3.291 96 3HG2 VAL 13 3HG2 VAL 13 -7.860 5.825 -3.392 97 H ASP 14 H ASP 14 -4.048 5.176 -0.397 98 HA ASP 14 HA ASP 14 -4.018 4.877 2.467 99 1HB ASP 14 2HB ASP 14 -1.746 5.255 2.342 100 2HB ASP 14 1HB ASP 14 -2.057 4.654 0.719 101 H ASN 15 H ASN 15 -2.690 6.982 3.461 102 HA ASN 15 HA ASN 15 -4.696 8.900 3.916 103 1HB ASN 15 2HB ASN 15 -2.716 8.266 5.405 104 2HB ASN 15 1HB ASN 15 -1.757 9.344 4.397 105 1HD2 ASN 15 1HD2 ASN 15 -1.321 10.890 5.879 106 2HD2 ASN 15 2HD2 ASN 15 -2.526 11.874 6.638 107 H LEU 16 H LEU 16 -1.999 8.808 1.669 108 HA LEU 16 HA LEU 16 -2.257 11.571 0.896 109 1HB LEU 16 2HB LEU 16 -0.389 9.480 0.491 110 2HB LEU 16 1HB LEU 16 -0.931 9.994 -1.093 111 HG LEU 16 HG LEU 16 0.918 11.331 -0.757 112 1HD1 LEU 16 1HD1 LEU 16 -1.519 12.814 0.156 113 2HD1 LEU 16 2HD1 LEU 16 0.041 13.618 -0.009 114 3HD1 LEU 16 3HD1 LEU 16 -0.711 12.858 -1.411 115 1HD2 LEU 16 1HD2 LEU 16 0.450 10.759 1.974 116 2HD2 LEU 16 2HD2 LEU 16 1.885 11.462 1.229 117 3HD2 LEU 16 3HD2 LEU 16 0.591 12.509 1.807 118 H GLY 17 H GLY 17 -3.020 8.447 -0.676 119 1HA GLY 17 1HA GLY 17 -5.379 8.608 -1.698 120 2HA GLY 17 2HA GLY 17 -4.679 9.942 -2.604 121 H ARG 18 H ARG 18 -2.681 7.211 -1.860 122 HA ARG 18 HA ARG 18 -2.584 6.549 -4.703 123 1HB ARG 18 2HB ARG 18 -0.908 5.125 -2.669 124 2HB ARG 18 1HB ARG 18 -0.518 5.577 -4.317 125 1HG ARG 18 2HG ARG 18 -0.554 7.992 -3.474 126 2HG ARG 18 1HG ARG 18 -0.489 7.283 -1.860 127 1HD ARG 18 2HD ARG 18 1.733 7.903 -2.767 128 2HD ARG 18 1HD ARG 18 1.586 6.196 -2.354 129 HE ARG 18 HE ARG 18 1.923 5.666 -4.555 130 1HH1 ARG 18 2HH1 ARG 18 1.067 9.075 -4.371 131 2HH1 ARG 18 1HH1 ARG 18 1.471 9.381 -6.036 132 1HH2 ARG 18 2HH2 ARG 18 2.437 6.076 -6.713 133 2HH2 ARG 18 1HH2 ARG 18 2.231 7.670 -7.376 134 H THR 19 H THR 19 -3.970 5.082 -5.436 135 HA THR 19 HA THR 19 -5.392 3.308 -3.753 136 HB THR 19 HB THR 19 -5.293 2.484 -6.548 137 HG1 THR 19 1HG THR 19 -5.985 4.365 -7.465 138 1HG2 THR 19 1HG2 THR 19 -7.545 2.256 -6.272 139 2HG2 THR 19 2HG2 THR 19 -7.688 3.731 -5.319 140 3HG2 THR 19 3HG2 THR 19 -7.072 2.257 -4.573 141 H TYR 20 H TYR 20 -4.112 1.918 -2.651 142 HA TYR 20 HA TYR 20 -2.217 0.287 -4.170 143 1HB TYR 20 2HB TYR 20 -1.124 -0.221 -2.083 144 2HB TYR 20 1HB TYR 20 -1.314 1.515 -2.219 145 HD1 TYR 20 1HD TYR 20 -1.776 -1.309 -0.153 146 HD2 TYR 20 2HD TYR 20 -3.377 2.544 -0.965 147 HE1 TYR 20 1HE TYR 20 -2.796 -1.268 2.075 148 HE2 TYR 20 2HE TYR 20 -4.405 2.592 1.262 149 HH TYR 20 HH TYR 20 -3.655 0.253 3.687 150 H TYR 21 H TYR 21 -1.954 -1.972 -3.130 151 HA TYR 21 HA TYR 21 -4.657 -3.093 -2.868 152 1HB TYR 21 2HB TYR 21 -2.228 -4.366 -4.157 153 2HB TYR 21 1HB TYR 21 -3.822 -5.105 -4.006 154 HD1 TYR 21 1HD TYR 21 -1.706 -3.145 -6.067 155 HD2 TYR 21 2HD TYR 21 -5.794 -3.803 -5.089 156 HE1 TYR 21 1HE TYR 21 -2.376 -2.097 -8.183 157 HE2 TYR 21 2HE TYR 21 -6.472 -2.762 -7.211 158 HH TYR 21 HH TYR 21 -5.700 -1.353 -8.895 159 H VAL 22 H VAL 22 -4.969 -3.600 -0.856 160 HA VAL 22 HA VAL 22 -2.691 -4.304 0.822 161 HB VAL 22 HB VAL 22 -4.058 -2.600 1.774 162 1HG1 VAL 22 1HG1 VAL 22 -6.485 -3.178 2.376 163 2HG1 VAL 22 2HG1 VAL 22 -6.115 -2.710 0.716 164 3HG1 VAL 22 3HG1 VAL 22 -6.340 -4.410 1.123 165 1HG2 VAL 22 1HG2 VAL 22 -4.435 -3.451 3.904 166 2HG2 VAL 22 2HG2 VAL 22 -4.949 -5.023 3.289 167 3HG2 VAL 22 3HG2 VAL 22 -3.247 -4.564 3.225 168 H ASN 23 H ASN 23 -2.183 -6.351 0.745 169 HA ASN 23 HA ASN 23 -4.009 -8.492 0.414 170 1HB ASN 23 2HB ASN 23 -1.506 -8.546 0.005 171 2HB ASN 23 1HB ASN 23 -1.302 -8.604 1.750 172 1HD2 ASN 23 1HD2 ASN 23 -0.169 -10.582 0.607 173 2HD2 ASN 23 2HD2 ASN 23 -1.093 -12.050 0.657 174 H HIS 24 H HIS 24 -5.308 -9.439 1.913 175 HA HIS 24 HA HIS 24 -5.085 -8.494 4.670 176 1HB HIS 24 2HB HIS 24 -7.253 -9.888 3.124 177 2HB HIS 24 1HB HIS 24 -7.277 -9.882 4.885 178 HD1 HIS 24 1HD HIS 24 -9.159 -8.285 5.361 179 HD2 HIS 24 2HD HIS 24 -6.403 -6.760 2.643 180 HE1 HIS 24 1HE HIS 24 -9.859 -5.910 4.944 181 HE2 HIS 24 2HE HIS 24 -8.347 -5.095 3.105 182 H ASN 25 H ASN 25 -3.994 -11.014 2.819 183 HA ASN 25 HA ASN 25 -4.133 -13.095 4.802 184 1HB ASN 25 2HB ASN 25 -3.501 -12.937 2.053 185 2HB ASN 25 1HB ASN 25 -2.051 -13.528 2.855 186 1HD2 ASN 25 1HD2 ASN 25 -4.093 -14.781 1.063 187 2HD2 ASN 25 2HD2 ASN 25 -4.590 -16.214 1.907 188 H ASN 26 H ASN 26 -1.174 -11.900 3.244 189 HA ASN 26 HA ASN 26 0.161 -12.018 5.847 190 1HB ASN 26 2HB ASN 26 1.000 -13.046 3.531 191 2HB ASN 26 1HB ASN 26 1.689 -11.434 3.360 192 1HD2 ASN 26 1HD2 ASN 26 3.780 -11.673 3.749 193 2HD2 ASN 26 2HD2 ASN 26 4.460 -12.415 5.161 194 H ARG 27 H ARG 27 -1.569 -9.846 4.420 195 HA ARG 27 HA ARG 27 -1.770 -7.613 4.346 196 1HB ARG 27 2HB ARG 27 0.142 -7.177 6.567 197 2HB ARG 27 1HB ARG 27 -1.478 -6.534 6.310 198 1HG ARG 27 2HG ARG 27 -1.329 -9.427 6.816 199 2HG ARG 27 1HG ARG 27 -0.870 -8.382 8.161 200 1HD ARG 27 2HD ARG 27 -3.044 -7.106 7.595 201 2HD ARG 27 1HD ARG 27 -3.485 -8.568 6.715 202 HE ARG 27 HE ARG 27 -3.054 -9.728 8.938 203 1HH1 ARG 27 2HH1 ARG 27 -4.195 -6.426 8.667 204 2HH1 ARG 27 1HH1 ARG 27 -5.014 -6.441 10.199 205 1HH2 ARG 27 2HH2 ARG 27 -4.130 -9.755 10.967 206 2HH2 ARG 27 1HH2 ARG 27 -4.983 -8.336 11.503 207 H SER 28 H SER 28 0.289 -8.629 2.644 208 HA SER 28 HA SER 28 2.384 -6.753 2.460 209 1HB SER 28 2HB SER 28 1.402 -7.704 -0.113 210 2HB SER 28 1HB SER 28 2.945 -8.025 0.682 211 HG SER 28 HG SER 28 2.154 -9.966 0.922 212 H THR 29 H THR 29 1.921 -4.628 2.508 213 HA THR 29 HA THR 29 -0.481 -3.636 1.159 214 HB THR 29 HB THR 29 0.518 -1.504 2.537 215 HG1 THR 29 1HG THR 29 0.815 -3.242 4.589 216 1HG2 THR 29 1HG2 THR 29 -1.135 -3.553 3.967 217 2HG2 THR 29 2HG2 THR 29 -1.774 -2.731 2.544 218 3HG2 THR 29 3HG2 THR 29 -1.294 -1.796 3.961 219 H GLN 30 H GLN 30 0.794 -3.951 -0.920 220 HA GLN 30 HA GLN 30 2.653 -1.719 -1.375 221 1HB GLN 30 2HB GLN 30 3.325 -3.029 -3.419 222 2HB GLN 30 1HB GLN 30 3.733 -3.767 -1.879 223 1HG GLN 30 2HG GLN 30 1.905 -5.313 -2.084 224 2HG GLN 30 1HG GLN 30 1.327 -4.503 -3.530 225 1HE2 GLN 30 1HE2 GLN 30 1.750 -5.578 -5.237 226 2HE2 GLN 30 2HE2 GLN 30 3.165 -6.497 -5.542 227 H TRP 31 H TRP 31 2.411 -0.373 -3.209 228 HA TRP 31 HA TRP 31 -0.341 -0.292 -4.200 229 1HB TRP 31 2HB TRP 31 1.093 1.939 -5.200 230 2HB TRP 31 1HB TRP 31 -0.178 1.922 -3.991 231 HD1 TRP 31 HD TRP 31 3.637 1.240 -3.948 232 HE1 TRP 31 1HE TRP 31 4.645 2.421 -1.903 233 HE3 TRP 31 3HE TRP 31 -0.632 3.268 -2.031 234 HZ2 TRP 31 2HZ TRP 31 3.738 4.021 0.237 235 HZ3 TRP 31 3HZ TRP 31 -0.477 4.615 0.013 236 HH2 TRP 31 HH TRP 31 1.659 4.989 1.116 237 H HIS 32 H HIS 32 2.743 -1.294 -5.185 238 HA HIS 32 HA HIS 32 2.492 -0.480 -7.930 239 1HB HIS 32 2HB HIS 32 4.630 -1.306 -8.285 240 2HB HIS 32 1HB HIS 32 4.673 -0.814 -6.604 241 HD1 HIS 32 1HD HIS 32 5.135 -2.603 -4.864 242 HD2 HIS 32 2HD HIS 32 4.792 -4.101 -8.726 243 HE1 HIS 32 1HE HIS 32 5.976 -4.966 -4.750 244 HE2 HIS 32 2HE HIS 32 6.041 -5.731 -7.155 245 H ARG 33 H ARG 33 0.710 -2.585 -6.429 246 HA ARG 33 HA ARG 33 -0.756 -4.158 -7.153 247 1HB ARG 33 2HB ARG 33 -0.548 -2.922 -9.377 248 2HB ARG 33 1HB ARG 33 0.602 -4.167 -9.845 249 1HG ARG 33 2HG ARG 33 -1.045 -5.862 -9.718 250 2HG ARG 33 1HG ARG 33 -2.192 -4.780 -8.928 251 1HD ARG 33 2HD ARG 33 -2.903 -4.910 -11.166 252 2HD ARG 33 1HD ARG 33 -2.075 -3.360 -11.027 253 HE ARG 33 HE ARG 33 -0.462 -4.107 -12.484 254 1HH1 ARG 33 2HH1 ARG 33 -2.329 -6.866 -11.374 255 2HH1 ARG 33 1HH1 ARG 33 -1.682 -7.947 -12.566 256 1HH2 ARG 33 2HH2 ARG 33 0.364 -5.521 -14.076 257 2HH2 ARG 33 1HH2 ARG 33 -0.165 -7.179 -14.115 258 HA PRO 34 HA PRO 34 1.714 -7.797 -6.447 259 1HB PRO 34 2HB PRO 34 -0.304 -9.539 -6.078 260 2HB PRO 34 1HB PRO 34 0.101 -8.315 -4.872 261 1HG PRO 34 2HG PRO 34 -2.085 -8.313 -6.910 262 2HG PRO 34 1HG PRO 34 -2.133 -7.799 -5.216 263 1HD PRO 34 2HD PRO 34 -1.886 -6.071 -7.327 264 2HD PRO 34 1HD PRO 34 -1.283 -5.726 -5.695 265 H SER 35 H SER 35 1.974 -7.230 -8.986 266 HA SER 35 HA SER 35 0.717 -9.144 -10.729 267 1HB SER 35 2HB SER 35 3.130 -7.855 -11.753 268 2HB SER 35 1HB SER 35 1.473 -7.777 -12.356 269 HG SER 35 HG SER 35 2.053 -5.734 -11.669 270 H LEU 36 H LEU 36 1.944 -10.442 -8.615 271 HA LEU 36 HA LEU 36 4.175 -11.835 -9.928 272 1HB LEU 36 2HB LEU 36 3.899 -11.491 -6.943 273 2HB LEU 36 1HB LEU 36 5.270 -12.137 -7.823 274 HG LEU 36 HG LEU 36 4.650 -9.401 -8.608 275 1HD1 LEU 36 1HD1 LEU 36 3.910 -9.172 -6.320 276 2HD1 LEU 36 2HD1 LEU 36 5.379 -9.955 -5.734 277 3HD1 LEU 36 3HD1 LEU 36 5.472 -8.377 -6.520 278 1HD2 LEU 36 1HD2 LEU 36 6.777 -11.046 -8.756 279 2HD2 LEU 36 2HD2 LEU 36 6.888 -9.289 -8.844 280 3HD2 LEU 36 3HD2 LEU 36 7.201 -10.117 -7.317 Start of MODEL 11 1 1H GLY 1 1H GLY 1 -12.261 -9.513 -3.658 2 2H GLY 1 2H GLY 1 -13.331 -8.283 -4.110 3 3H GLY 1 3H GLY 1 -12.253 -8.036 -2.823 4 1HA GLY 1 2HA GLY 1 -11.285 -6.882 -4.566 5 2HA GLY 1 1HA GLY 1 -10.410 -8.406 -4.494 6 H SER 2 H SER 2 -10.042 -7.405 -6.779 7 HA SER 2 HA SER 2 -12.143 -7.878 -8.683 8 1HB SER 2 2HB SER 2 -9.700 -7.623 -10.038 9 2HB SER 2 1HB SER 2 -10.867 -6.337 -9.724 10 HG SER 2 HG SER 2 -9.480 -5.489 -8.398 11 HA PRO 3 HA PRO 3 -11.455 -12.147 -9.792 12 1HB PRO 3 2HB PRO 3 -11.170 -11.101 -12.578 13 2HB PRO 3 1HB PRO 3 -12.152 -12.438 -11.969 14 1HG PRO 3 2HG PRO 3 -13.294 -10.119 -12.531 15 2HG PRO 3 1HG PRO 3 -13.769 -11.019 -11.076 16 1HD PRO 3 2HD PRO 3 -12.038 -8.593 -11.325 17 2HD PRO 3 1HD PRO 3 -13.215 -9.014 -10.066 18 HA PRO 4 HA PRO 4 -7.108 -11.895 -11.870 19 1HB PRO 4 2HB PRO 4 -5.951 -9.497 -12.289 20 2HB PRO 4 1HB PRO 4 -7.012 -10.256 -13.483 21 1HG PRO 4 2HG PRO 4 -7.625 -8.101 -11.497 22 2HG PRO 4 1HG PRO 4 -8.095 -8.221 -13.203 23 1HD PRO 4 2HD PRO 4 -9.768 -8.858 -11.160 24 2HD PRO 4 1HD PRO 4 -9.845 -9.637 -12.752 25 H LEU 5 H LEU 5 -8.204 -10.285 -9.174 26 HA LEU 5 HA LEU 5 -5.573 -9.896 -7.966 27 1HB LEU 5 2HB LEU 5 -7.986 -8.575 -7.712 28 2HB LEU 5 1HB LEU 5 -7.921 -9.554 -6.259 29 HG LEU 5 HG LEU 5 -5.797 -8.529 -5.634 30 1HD1 LEU 5 1HD1 LEU 5 -5.008 -6.543 -6.920 31 2HD1 LEU 5 2HD1 LEU 5 -4.807 -8.085 -7.757 32 3HD1 LEU 5 3HD1 LEU 5 -6.125 -7.001 -8.205 33 1HD2 LEU 5 1HD2 LEU 5 -8.201 -7.459 -5.327 34 2HD2 LEU 5 2HD2 LEU 5 -6.737 -6.646 -4.774 35 3HD2 LEU 5 3HD2 LEU 5 -7.479 -6.185 -6.306 36 HA PRO 6 HA PRO 6 -5.706 -13.997 -6.228 37 1HB PRO 6 2HB PRO 6 -3.772 -12.937 -4.263 38 2HB PRO 6 1HB PRO 6 -3.589 -14.262 -5.417 39 1HG PRO 6 2HG PRO 6 -2.331 -11.925 -5.771 40 2HG PRO 6 1HG PRO 6 -2.969 -12.855 -7.140 41 1HD PRO 6 2HD PRO 6 -4.118 -10.436 -5.794 42 2HD PRO 6 1HD PRO 6 -4.028 -10.830 -7.523 43 HA PRO 7 HA PRO 7 -8.573 -13.791 -2.905 44 1HB PRO 7 2HB PRO 7 -7.149 -16.124 -1.746 45 2HB PRO 7 1HB PRO 7 -8.849 -15.946 -2.187 46 1HG PRO 7 2HG PRO 7 -7.195 -17.399 -3.687 47 2HG PRO 7 1HG PRO 7 -8.457 -16.394 -4.423 48 1HD PRO 7 2HD PRO 7 -5.517 -15.896 -4.211 49 2HD PRO 7 1HD PRO 7 -6.631 -15.534 -5.545 50 H GLY 8 H GLY 8 -8.357 -12.188 -1.493 51 1HA GLY 8 1HA GLY 8 -7.752 -11.868 0.918 52 2HA GLY 8 2HA GLY 8 -6.115 -12.309 0.438 53 H TRP 9 H TRP 9 -6.626 -10.771 -2.145 54 HA TRP 9 HA TRP 9 -5.507 -8.326 -1.079 55 1HB TRP 9 2HB TRP 9 -5.864 -9.372 -3.884 56 2HB TRP 9 1HB TRP 9 -5.165 -7.795 -3.522 57 HD1 TRP 9 HD TRP 9 -4.399 -11.533 -3.285 58 HE1 TRP 9 1HE TRP 9 -1.876 -11.830 -2.841 59 HE3 TRP 9 3HE TRP 9 -3.173 -6.657 -2.473 60 HZ2 TRP 9 2HZ TRP 9 0.339 -10.182 -2.213 61 HZ3 TRP 9 3HZ TRP 9 -0.855 -6.104 -1.955 62 HH2 TRP 9 HH TRP 9 0.876 -7.820 -1.823 63 H GLU 10 H GLU 10 -6.500 -6.427 -0.895 64 HA GLU 10 HA GLU 10 -9.033 -6.006 -2.339 65 1HB GLU 10 2HB GLU 10 -9.037 -6.506 0.286 66 2HB GLU 10 1HB GLU 10 -8.667 -4.791 0.361 67 1HG GLU 10 2HG GLU 10 -11.123 -5.570 0.499 68 2HG GLU 10 1HG GLU 10 -10.712 -4.167 -0.484 69 H GLU 11 H GLU 11 -9.529 -3.764 -2.772 70 HA GLU 11 HA GLU 11 -7.139 -2.200 -3.288 71 1HB GLU 11 2HB GLU 11 -9.444 -2.544 -4.683 72 2HB GLU 11 1HB GLU 11 -9.795 -1.033 -3.857 73 1HG GLU 11 2HG GLU 11 -7.910 0.031 -4.846 74 2HG GLU 11 1HG GLU 11 -7.326 -1.498 -5.506 75 H LYS 12 H LYS 12 -6.385 -0.674 -1.939 76 HA LYS 12 HA LYS 12 -8.301 0.712 -0.182 77 1HB LYS 12 2HB LYS 12 -6.233 -1.110 0.627 78 2HB LYS 12 1HB LYS 12 -5.862 0.501 1.225 79 1HG LYS 12 2HG LYS 12 -8.414 0.412 1.936 80 2HG LYS 12 1HG LYS 12 -8.081 -1.323 1.935 81 1HD LYS 12 2HD LYS 12 -6.267 -1.024 3.492 82 2HD LYS 12 1HD LYS 12 -6.430 0.731 3.398 83 1HE LYS 12 2HE LYS 12 -8.572 -1.133 4.410 84 2HE LYS 12 1HE LYS 12 -7.439 -0.261 5.441 85 1HZ LYS 12 1HZ LYS 12 -8.313 1.818 4.340 86 2HZ LYS 12 2HZ LYS 12 -9.385 1.022 5.386 87 3HZ LYS 12 3HZ LYS 12 -9.563 0.859 3.707 88 H VAL 13 H VAL 13 -7.877 2.886 0.160 89 HA VAL 13 HA VAL 13 -5.498 3.979 -1.174 90 HB VAL 13 HB VAL 13 -8.053 5.288 -0.237 91 1HG1 VAL 13 1HG1 VAL 13 -5.440 6.474 -0.332 92 2HG1 VAL 13 2HG1 VAL 13 -6.488 7.212 -1.548 93 3HG1 VAL 13 3HG1 VAL 13 -6.976 7.197 0.151 94 1HG2 VAL 13 1HG2 VAL 13 -8.600 5.452 -2.416 95 2HG2 VAL 13 2HG2 VAL 13 -6.941 5.807 -2.907 96 3HG2 VAL 13 3HG2 VAL 13 -7.440 4.138 -2.609 97 H ASP 14 H ASP 14 -3.842 4.791 -0.039 98 HA ASP 14 HA ASP 14 -3.502 4.104 2.655 99 1HB ASP 14 2HB ASP 14 -1.566 4.310 1.302 100 2HB ASP 14 1HB ASP 14 -1.981 5.952 0.827 101 H ASN 15 H ASN 15 -3.441 7.447 1.421 102 HA ASN 15 HA ASN 15 -4.933 8.227 3.819 103 1HB ASN 15 2HB ASN 15 -3.294 9.551 4.566 104 2HB ASN 15 1HB ASN 15 -2.247 8.839 3.348 105 1HD2 ASN 15 1HD2 ASN 15 -4.127 11.593 4.270 106 2HD2 ASN 15 2HD2 ASN 15 -3.528 12.665 3.037 107 H LEU 16 H LEU 16 -3.881 9.441 0.612 108 HA LEU 16 HA LEU 16 -6.560 9.889 -0.202 109 1HB LEU 16 2HB LEU 16 -5.789 11.863 1.425 110 2HB LEU 16 1HB LEU 16 -5.088 12.458 -0.068 111 HG LEU 16 HG LEU 16 -7.818 11.630 -0.493 112 1HD1 LEU 16 1HD1 LEU 16 -7.524 12.549 2.048 113 2HD1 LEU 16 2HD1 LEU 16 -7.868 14.038 1.167 114 3HD1 LEU 16 3HD1 LEU 16 -8.998 12.687 1.086 115 1HD2 LEU 16 1HD2 LEU 16 -7.261 13.094 -2.092 116 2HD2 LEU 16 2HD2 LEU 16 -7.706 14.323 -0.907 117 3HD2 LEU 16 3HD2 LEU 16 -6.015 13.855 -1.100 118 H GLY 17 H GLY 17 -5.222 8.472 -1.710 119 1HA GLY 17 1HA GLY 17 -5.315 9.317 -4.166 120 2HA GLY 17 2HA GLY 17 -3.822 10.102 -3.691 121 H ARG 18 H ARG 18 -2.905 7.849 -2.042 122 HA ARG 18 HA ARG 18 -1.868 6.253 -4.212 123 1HB ARG 18 2HB ARG 18 -0.994 5.018 -1.878 124 2HB ARG 18 1HB ARG 18 -0.109 6.171 -2.853 125 1HG ARG 18 2HG ARG 18 -1.185 7.985 -1.450 126 2HG ARG 18 1HG ARG 18 -1.694 6.689 -0.364 127 1HD ARG 18 2HD ARG 18 0.298 6.838 0.619 128 2HD ARG 18 1HD ARG 18 1.015 6.217 -0.868 129 HE ARG 18 HE ARG 18 1.531 8.425 -1.523 130 1HH1 ARG 18 2HH1 ARG 18 0.174 8.203 1.713 131 2HH1 ARG 18 1HH1 ARG 18 0.623 9.828 2.139 132 1HH2 ARG 18 2HH2 ARG 18 2.129 10.564 -0.947 133 2HH2 ARG 18 1HH2 ARG 18 1.756 11.152 0.647 134 H THR 19 H THR 19 -3.555 5.141 -5.012 135 HA THR 19 HA THR 19 -5.146 3.391 -3.367 136 HB THR 19 HB THR 19 -5.084 2.986 -6.301 137 HG1 THR 19 1HG THR 19 -6.591 5.055 -6.114 138 1HG2 THR 19 1HG2 THR 19 -7.198 3.293 -4.176 139 2HG2 THR 19 2HG2 THR 19 -6.781 1.846 -5.095 140 3HG2 THR 19 3HG2 THR 19 -7.585 3.199 -5.895 141 H TYR 20 H TYR 20 -3.961 1.818 -2.447 142 HA TYR 20 HA TYR 20 -2.216 0.230 -4.192 143 1HB TYR 20 2HB TYR 20 -1.049 -0.494 -2.176 144 2HB TYR 20 1HB TYR 20 -1.048 1.257 -2.295 145 HD1 TYR 20 1HD TYR 20 -2.466 2.596 -0.764 146 HD2 TYR 20 2HD TYR 20 -2.122 -1.621 -0.362 147 HE1 TYR 20 1HE TYR 20 -3.334 2.745 1.528 148 HE2 TYR 20 2HE TYR 20 -2.985 -1.477 1.931 149 HH TYR 20 HH TYR 20 -3.321 1.523 3.581 150 H TYR 21 H TYR 21 -1.978 -2.074 -3.054 151 HA TYR 21 HA TYR 21 -4.718 -3.066 -2.695 152 1HB TYR 21 2HB TYR 21 -2.425 -4.286 -4.231 153 2HB TYR 21 1HB TYR 21 -3.873 -5.185 -3.791 154 HD1 TYR 21 1HD TYR 21 -2.555 -2.431 -5.875 155 HD2 TYR 21 2HD TYR 21 -5.962 -4.794 -4.892 156 HE1 TYR 21 1HE TYR 21 -3.734 -1.557 -7.847 157 HE2 TYR 21 2HE TYR 21 -7.139 -3.928 -6.866 158 HH TYR 21 HH TYR 21 -7.034 -1.865 -8.307 159 H VAL 22 H VAL 22 -5.071 -4.061 -0.872 160 HA VAL 22 HA VAL 22 -2.741 -4.626 0.824 161 HB VAL 22 HB VAL 22 -4.082 -2.974 1.864 162 1HG1 VAL 22 1HG1 VAL 22 -6.465 -4.728 1.328 163 2HG1 VAL 22 2HG1 VAL 22 -6.490 -3.259 2.303 164 3HG1 VAL 22 3HG1 VAL 22 -6.104 -3.169 0.584 165 1HG2 VAL 22 1HG2 VAL 22 -3.394 -4.381 3.569 166 2HG2 VAL 22 2HG2 VAL 22 -5.137 -4.302 3.824 167 3HG2 VAL 22 3HG2 VAL 22 -4.427 -5.704 3.027 168 H ASN 23 H ASN 23 -2.223 -6.680 0.939 169 HA ASN 23 HA ASN 23 -4.060 -8.806 0.498 170 1HB ASN 23 2HB ASN 23 -1.517 -8.889 0.211 171 2HB ASN 23 1HB ASN 23 -1.433 -9.029 1.961 172 1HD2 ASN 23 1HD2 ASN 23 -0.644 -10.899 -0.164 173 2HD2 ASN 23 2HD2 ASN 23 -1.491 -12.368 0.170 174 H HIS 24 H HIS 24 -5.597 -9.439 1.928 175 HA HIS 24 HA HIS 24 -5.624 -8.392 4.595 176 1HB HIS 24 2HB HIS 24 -7.429 -10.172 2.997 177 2HB HIS 24 1HB HIS 24 -7.646 -10.066 4.742 178 HD1 HIS 24 1HD HIS 24 -9.923 -8.882 4.493 179 HD2 HIS 24 2HD HIS 24 -6.728 -6.832 2.790 180 HE1 HIS 24 1HE HIS 24 -10.797 -6.578 3.979 181 HE2 HIS 24 2HE HIS 24 -8.858 -5.341 2.946 182 H ASN 25 H ASN 25 -4.287 -11.143 3.161 183 HA ASN 25 HA ASN 25 -4.335 -12.655 5.660 184 1HB ASN 25 2HB ASN 25 -4.608 -14.450 4.372 185 2HB ASN 25 1HB ASN 25 -4.664 -13.392 2.972 186 1HD2 ASN 25 1HD2 ASN 25 -3.110 -13.518 1.503 187 2HD2 ASN 25 2HD2 ASN 25 -1.696 -14.503 1.631 188 H ASN 26 H ASN 26 -2.025 -11.375 3.271 189 HA ASN 26 HA ASN 26 0.128 -12.033 5.179 190 1HB ASN 26 2HB ASN 26 -0.119 -12.497 2.377 191 2HB ASN 26 1HB ASN 26 1.209 -11.368 2.633 192 1HD2 ASN 26 1HD2 ASN 26 3.085 -12.347 2.768 193 2HD2 ASN 26 2HD2 ASN 26 3.379 -13.900 3.481 194 H ARG 27 H ARG 27 -1.700 -9.550 4.281 195 HA ARG 27 HA ARG 27 -1.529 -7.299 4.015 196 1HB ARG 27 2HB ARG 27 0.094 -6.511 6.105 197 2HB ARG 27 1HB ARG 27 -1.643 -6.783 6.156 198 1HG ARG 27 2HG ARG 27 -0.164 -9.247 6.495 199 2HG ARG 27 1HG ARG 27 0.285 -8.034 7.697 200 1HD ARG 27 2HD ARG 27 -1.651 -8.267 8.770 201 2HD ARG 27 1HD ARG 27 -2.570 -8.100 7.274 202 HE ARG 27 HE ARG 27 -1.552 -10.650 7.213 203 1HH1 ARG 27 2HH1 ARG 27 -3.504 -8.842 9.481 204 2HH1 ARG 27 1HH1 ARG 27 -4.463 -10.210 9.944 205 1HH2 ARG 27 2HH2 ARG 27 -2.789 -12.455 7.827 206 2HH2 ARG 27 1HH2 ARG 27 -4.056 -12.284 9.009 207 H SER 28 H SER 28 0.174 -8.228 2.151 208 HA SER 28 HA SER 28 2.582 -6.646 2.268 209 1HB SER 28 2HB SER 28 1.783 -7.543 -0.384 210 2HB SER 28 1HB SER 28 3.216 -7.968 0.555 211 HG SER 28 HG SER 28 2.229 -9.697 1.347 212 H THR 29 H THR 29 1.549 -4.610 2.721 213 HA THR 29 HA THR 29 -0.492 -3.545 1.021 214 HB THR 29 HB THR 29 0.376 -1.420 2.473 215 HG1 THR 29 1HG THR 29 1.442 -2.069 4.229 216 1HG2 THR 29 1HG2 THR 29 -1.615 -1.689 3.477 217 2HG2 THR 29 2HG2 THR 29 -1.160 -3.263 4.132 218 3HG2 THR 29 3HG2 THR 29 -1.784 -3.140 2.486 219 H GLN 30 H GLN 30 0.841 -3.816 -0.991 220 HA GLN 30 HA GLN 30 2.775 -1.629 -1.353 221 1HB GLN 30 2HB GLN 30 3.353 -2.928 -3.474 222 2HB GLN 30 1HB GLN 30 3.814 -3.645 -1.935 223 1HG GLN 30 2HG GLN 30 1.828 -5.089 -2.044 224 2HG GLN 30 1HG GLN 30 1.429 -4.401 -3.610 225 1HE2 GLN 30 1HE2 GLN 30 1.909 -5.697 -5.142 226 2HE2 GLN 30 2HE2 GLN 30 3.285 -6.722 -5.221 227 H TRP 31 H TRP 31 2.583 -0.145 -3.046 228 HA TRP 31 HA TRP 31 -0.159 0.074 -4.065 229 1HB TRP 31 2HB TRP 31 1.335 2.368 -4.817 230 2HB TRP 31 1HB TRP 31 0.049 2.254 -3.629 231 HD1 TRP 31 HD TRP 31 3.884 1.941 -3.831 232 HE1 TRP 31 1HE TRP 31 4.887 2.669 -1.579 233 HE3 TRP 31 3HE TRP 31 -0.451 2.754 -1.249 234 HZ2 TRP 31 2HZ TRP 31 3.955 3.494 0.953 235 HZ3 TRP 31 3HZ TRP 31 -0.307 3.521 1.078 236 HH2 TRP 31 HH TRP 31 1.853 3.887 2.155 237 H HIS 32 H HIS 32 2.270 -1.544 -5.207 238 HA HIS 32 HA HIS 32 2.050 -0.437 -7.927 239 1HB HIS 32 2HB HIS 32 3.959 -2.232 -8.342 240 2HB HIS 32 1HB HIS 32 4.327 -0.622 -7.750 241 HD1 HIS 32 1HD HIS 32 4.604 -4.200 -6.912 242 HD2 HIS 32 2HD HIS 32 5.038 -0.544 -4.971 243 HE1 HIS 32 1HE HIS 32 5.864 -4.698 -4.796 244 HE2 HIS 32 2HE HIS 32 6.247 -2.454 -3.710 245 H ARG 33 H ARG 33 0.220 -2.239 -6.312 246 HA ARG 33 HA ARG 33 -1.208 -3.972 -6.673 247 1HB ARG 33 2HB ARG 33 -0.865 -2.932 -9.133 248 2HB ARG 33 1HB ARG 33 -0.220 -4.541 -9.415 249 1HG ARG 33 2HG ARG 33 -2.283 -5.560 -8.899 250 2HG ARG 33 1HG ARG 33 -2.927 -4.080 -8.189 251 1HD ARG 33 2HD ARG 33 -2.411 -4.691 -11.088 252 2HD ARG 33 1HD ARG 33 -3.945 -4.308 -10.312 253 HE ARG 33 HE ARG 33 -1.813 -2.280 -10.420 254 1HH1 ARG 33 2HH1 ARG 33 -5.040 -3.344 -11.246 255 2HH1 ARG 33 1HH1 ARG 33 -5.520 -1.826 -11.932 256 1HH2 ARG 33 2HH2 ARG 33 -2.406 -0.280 -11.363 257 2HH2 ARG 33 1HH2 ARG 33 -4.007 -0.083 -12.020 258 HA PRO 34 HA PRO 34 1.311 -7.429 -5.632 259 1HB PRO 34 2HB PRO 34 -0.507 -9.433 -5.776 260 2HB PRO 34 1HB PRO 34 -0.439 -8.269 -4.453 261 1HG PRO 34 2HG PRO 34 -2.251 -8.331 -6.819 262 2HG PRO 34 1HG PRO 34 -2.617 -7.917 -5.141 263 1HD PRO 34 2HD PRO 34 -2.254 -6.053 -7.079 264 2HD PRO 34 1HD PRO 34 -1.855 -5.768 -5.374 265 H SER 35 H SER 35 2.043 -6.814 -8.091 266 HA SER 35 HA SER 35 1.871 -9.216 -9.726 267 1HB SER 35 2HB SER 35 3.748 -6.931 -10.255 268 2HB SER 35 1HB SER 35 2.914 -7.972 -11.408 269 HG SER 35 HG SER 35 0.923 -6.926 -10.552 270 H LEU 36 H LEU 36 4.796 -8.667 -10.487 271 HA LEU 36 HA LEU 36 5.964 -10.137 -8.242 272 1HB LEU 36 2HB LEU 36 6.575 -9.908 -11.129 273 2HB LEU 36 1HB LEU 36 7.956 -10.074 -10.059 274 HG LEU 36 HG LEU 36 5.656 -12.002 -10.363 275 1HD1 LEU 36 1HD1 LEU 36 8.413 -12.927 -10.647 276 2HD1 LEU 36 2HD1 LEU 36 6.994 -13.246 -11.646 277 3HD1 LEU 36 3HD1 LEU 36 7.912 -11.757 -11.868 278 1HD2 LEU 36 1HD2 LEU 36 6.362 -13.209 -8.554 279 2HD2 LEU 36 2HD2 LEU 36 8.005 -12.571 -8.630 280 3HD2 LEU 36 3HD2 LEU 36 6.700 -11.572 -7.990 Start of MODEL 12 1 1H GLY 1 1H GLY 1 -11.238 -2.678 -7.212 2 2H GLY 1 2H GLY 1 -11.572 -3.922 -6.113 3 3H GLY 1 3H GLY 1 -12.803 -3.321 -7.111 4 1HA GLY 1 2HA GLY 1 -12.295 -4.719 -8.730 5 2HA GLY 1 1HA GLY 1 -10.619 -4.193 -8.683 6 H SER 2 H SER 2 -12.936 -6.227 -6.910 7 HA SER 2 HA SER 2 -10.894 -7.736 -5.632 8 1HB SER 2 2HB SER 2 -13.676 -8.789 -5.945 9 2HB SER 2 1HB SER 2 -12.601 -8.855 -4.547 10 HG SER 2 HG SER 2 -13.255 -6.929 -3.934 11 HA PRO 3 HA PRO 3 -12.312 -11.154 -8.974 12 1HB PRO 3 2HB PRO 3 -12.562 -9.181 -11.207 13 2HB PRO 3 1HB PRO 3 -13.389 -10.724 -10.964 14 1HG PRO 3 2HG PRO 3 -14.643 -8.444 -10.458 15 2HG PRO 3 1HG PRO 3 -14.851 -9.846 -9.391 16 1HD PRO 3 2HD PRO 3 -13.260 -7.356 -8.965 17 2HD PRO 3 1HD PRO 3 -14.162 -8.336 -7.794 18 HA PRO 4 HA PRO 4 -8.512 -9.972 -11.629 19 1HB PRO 4 2HB PRO 4 -7.489 -7.484 -11.589 20 2HB PRO 4 1HB PRO 4 -8.809 -7.946 -12.671 21 1HG PRO 4 2HG PRO 4 -8.918 -6.482 -10.063 22 2HG PRO 4 1HG PRO 4 -9.793 -6.151 -11.570 23 1HD PRO 4 2HD PRO 4 -10.903 -7.457 -9.450 24 2HD PRO 4 1HD PRO 4 -11.392 -7.740 -11.134 25 H LEU 5 H LEU 5 -8.927 -9.301 -8.408 26 HA LEU 5 HA LEU 5 -6.052 -9.171 -7.844 27 1HB LEU 5 2HB LEU 5 -8.303 -7.841 -6.767 28 2HB LEU 5 1HB LEU 5 -7.714 -8.919 -5.518 29 HG LEU 5 HG LEU 5 -5.587 -7.846 -5.464 30 1HD1 LEU 5 1HD1 LEU 5 -5.227 -5.829 -7.023 31 2HD1 LEU 5 2HD1 LEU 5 -4.982 -7.450 -7.671 32 3HD1 LEU 5 3HD1 LEU 5 -6.472 -6.574 -8.026 33 1HD2 LEU 5 1HD2 LEU 5 -6.159 -5.611 -4.811 34 2HD2 LEU 5 2HD2 LEU 5 -7.643 -5.664 -5.764 35 3HD2 LEU 5 3HD2 LEU 5 -7.473 -6.689 -4.337 36 HA PRO 6 HA PRO 6 -6.172 -13.405 -6.467 37 1HB PRO 6 2HB PRO 6 -3.969 -12.729 -4.644 38 2HB PRO 6 1HB PRO 6 -3.987 -13.841 -6.013 39 1HG PRO 6 2HG PRO 6 -2.662 -11.498 -6.101 40 2HG PRO 6 1HG PRO 6 -3.449 -12.188 -7.533 41 1HD PRO 6 2HD PRO 6 -4.395 -9.993 -5.723 42 2HD PRO 6 1HD PRO 6 -4.471 -10.106 -7.491 43 HA PRO 7 HA PRO 7 -8.525 -13.706 -2.776 44 1HB PRO 7 2HB PRO 7 -6.646 -15.838 -1.879 45 2HB PRO 7 1HB PRO 7 -8.407 -15.871 -2.017 46 1HG PRO 7 2HG PRO 7 -6.897 -17.103 -3.822 47 2HG PRO 7 1HG PRO 7 -8.354 -16.216 -4.311 48 1HD PRO 7 2HD PRO 7 -5.482 -15.432 -4.561 49 2HD PRO 7 1HD PRO 7 -6.833 -15.144 -5.678 50 H GLY 8 H GLY 8 -8.524 -12.432 -1.043 51 1HA GLY 8 1HA GLY 8 -7.742 -11.848 1.139 52 2HA GLY 8 2HA GLY 8 -6.115 -12.305 0.639 53 H TRP 9 H TRP 9 -6.541 -10.809 -1.942 54 HA TRP 9 HA TRP 9 -5.388 -8.372 -0.965 55 1HB TRP 9 2HB TRP 9 -5.973 -9.472 -3.700 56 2HB TRP 9 1HB TRP 9 -5.408 -7.821 -3.484 57 HD1 TRP 9 HD TRP 9 -4.213 -11.409 -3.463 58 HE1 TRP 9 1HE TRP 9 -1.651 -11.436 -3.241 59 HE3 TRP 9 3HE TRP 9 -3.462 -6.500 -2.351 60 HZ2 TRP 9 2HZ TRP 9 0.430 -9.585 -2.655 61 HZ3 TRP 9 3HZ TRP 9 -1.181 -5.714 -1.966 62 HH2 TRP 9 HH TRP 9 0.728 -7.218 -2.110 63 H GLU 10 H GLU 10 -6.367 -6.505 -0.563 64 HA GLU 10 HA GLU 10 -9.007 -6.022 -1.781 65 1HB GLU 10 2HB GLU 10 -9.391 -6.391 0.554 66 2HB GLU 10 1HB GLU 10 -8.036 -5.363 1.001 67 1HG GLU 10 2HG GLU 10 -9.264 -3.438 0.015 68 2HG GLU 10 1HG GLU 10 -10.646 -4.507 -0.210 69 H GLU 11 H GLU 11 -9.199 -4.153 -2.886 70 HA GLU 11 HA GLU 11 -6.853 -2.488 -3.127 71 1HB GLU 11 2HB GLU 11 -7.610 -2.443 -5.224 72 2HB GLU 11 1HB GLU 11 -9.139 -3.155 -4.742 73 1HG GLU 11 2HG GLU 11 -9.221 -0.442 -3.979 74 2HG GLU 11 1HG GLU 11 -8.580 -0.510 -5.621 75 H LYS 12 H LYS 12 -6.505 -0.667 -2.078 76 HA LYS 12 HA LYS 12 -8.758 0.791 -0.873 77 1HB LYS 12 2HB LYS 12 -6.432 -0.457 0.507 78 2HB LYS 12 1HB LYS 12 -6.907 1.145 1.047 79 1HG LYS 12 2HG LYS 12 -9.292 0.093 1.154 80 2HG LYS 12 1HG LYS 12 -8.396 -1.427 1.212 81 1HD LYS 12 2HD LYS 12 -7.033 0.023 3.045 82 2HD LYS 12 1HD LYS 12 -8.649 0.708 3.235 83 1HE LYS 12 2HE LYS 12 -8.601 -2.211 3.061 84 2HE LYS 12 1HE LYS 12 -7.725 -1.566 4.447 85 1HZ LYS 12 1HZ LYS 12 -10.122 -2.053 4.839 86 2HZ LYS 12 2HZ LYS 12 -10.508 -0.791 3.777 87 3HZ LYS 12 3HZ LYS 12 -9.658 -0.463 5.209 88 H VAL 13 H VAL 13 -7.587 2.912 0.208 89 HA VAL 13 HA VAL 13 -5.469 3.805 -1.614 90 HB VAL 13 HB VAL 13 -7.938 4.698 -2.082 91 1HG1 VAL 13 1HG1 VAL 13 -8.716 6.377 -0.834 92 2HG1 VAL 13 2HG1 VAL 13 -7.648 5.720 0.407 93 3HG1 VAL 13 3HG1 VAL 13 -7.110 7.068 -0.595 94 1HG2 VAL 13 1HG2 VAL 13 -5.284 5.665 -2.571 95 2HG2 VAL 13 2HG2 VAL 13 -6.709 5.717 -3.611 96 3HG2 VAL 13 3HG2 VAL 13 -6.417 7.012 -2.449 97 H ASP 14 H ASP 14 -3.854 4.899 -0.659 98 HA ASP 14 HA ASP 14 -4.067 5.288 2.242 99 1HB ASP 14 2HB ASP 14 -2.203 3.875 1.167 100 2HB ASP 14 1HB ASP 14 -1.521 5.410 0.637 101 H ASN 15 H ASN 15 -4.009 7.252 3.127 102 HA ASN 15 HA ASN 15 -4.051 9.509 3.336 103 1HB ASN 15 2HB ASN 15 -1.584 9.021 2.639 104 2HB ASN 15 1HB ASN 15 -2.052 9.761 1.112 105 1HD2 ASN 15 1HD2 ASN 15 -3.267 10.683 4.285 106 2HD2 ASN 15 2HD2 ASN 15 -2.542 12.258 4.296 107 H LEU 16 H LEU 16 -5.775 8.181 1.346 108 HA LEU 16 HA LEU 16 -7.345 8.684 -0.204 109 1HB LEU 16 2HB LEU 16 -6.716 11.407 0.883 110 2HB LEU 16 1HB LEU 16 -7.880 11.204 -0.412 111 HG LEU 16 HG LEU 16 -8.328 9.454 1.908 112 1HD1 LEU 16 1HD1 LEU 16 -8.654 12.441 2.144 113 2HD1 LEU 16 2HD1 LEU 16 -9.288 11.245 3.278 114 3HD1 LEU 16 3HD1 LEU 16 -7.548 11.433 3.078 115 1HD2 LEU 16 1HD2 LEU 16 -10.368 9.451 1.039 116 2HD2 LEU 16 2HD2 LEU 16 -10.471 11.210 1.140 117 3HD2 LEU 16 3HD2 LEU 16 -9.750 10.448 -0.278 118 H GLY 17 H GLY 17 -4.457 8.598 -0.987 119 1HA GLY 17 1HA GLY 17 -4.791 9.934 -3.583 120 2HA GLY 17 2HA GLY 17 -3.321 10.198 -2.660 121 H ARG 18 H ARG 18 -2.726 7.684 -1.730 122 HA ARG 18 HA ARG 18 -1.849 6.516 -4.259 123 1HB ARG 18 2HB ARG 18 -0.730 5.092 -2.050 124 2HB ARG 18 1HB ARG 18 0.072 6.127 -3.216 125 1HG ARG 18 2HG ARG 18 -0.174 8.043 -1.846 126 2HG ARG 18 1HG ARG 18 -1.289 7.206 -0.764 127 1HD ARG 18 2HD ARG 18 0.376 6.296 0.418 128 2HD ARG 18 1HD ARG 18 1.275 5.850 -1.033 129 HE ARG 18 HE ARG 18 2.305 7.987 -1.011 130 1HH1 ARG 18 2HH1 ARG 18 0.332 7.348 1.816 131 2HH1 ARG 18 1HH1 ARG 18 1.068 8.610 2.760 132 1HH2 ARG 18 2HH2 ARG 18 3.263 9.645 0.233 133 2HH2 ARG 18 1HH2 ARG 18 2.716 9.906 1.867 134 H THR 19 H THR 19 -3.674 5.484 -4.935 135 HA THR 19 HA THR 19 -5.167 3.633 -3.419 136 HB THR 19 HB THR 19 -5.029 3.074 -6.295 137 HG1 THR 19 1HG THR 19 -6.018 5.132 -6.829 138 1HG2 THR 19 1HG2 THR 19 -6.834 2.452 -4.579 139 2HG2 THR 19 2HG2 THR 19 -7.372 3.079 -6.139 140 3HG2 THR 19 3HG2 THR 19 -7.365 4.130 -4.722 141 H TYR 20 H TYR 20 -4.219 1.913 -2.516 142 HA TYR 20 HA TYR 20 -2.348 0.343 -4.147 143 1HB TYR 20 2HB TYR 20 -1.262 -0.386 -2.106 144 2HB TYR 20 1HB TYR 20 -1.256 1.360 -2.207 145 HD1 TYR 20 1HD TYR 20 -3.255 2.554 -0.923 146 HD2 TYR 20 2HD TYR 20 -1.872 -1.387 -0.129 147 HE1 TYR 20 1HE TYR 20 -4.221 2.673 1.332 148 HE2 TYR 20 2HE TYR 20 -2.831 -1.275 2.128 149 HH TYR 20 HH TYR 20 -3.405 1.002 3.751 150 H TYR 21 H TYR 21 -2.161 -1.936 -3.046 151 HA TYR 21 HA TYR 21 -4.874 -2.926 -2.535 152 1HB TYR 21 2HB TYR 21 -2.758 -4.487 -4.023 153 2HB TYR 21 1HB TYR 21 -4.481 -4.836 -3.901 154 HD1 TYR 21 1HD TYR 21 -1.936 -3.242 -5.835 155 HD2 TYR 21 2HD TYR 21 -6.106 -3.146 -4.972 156 HE1 TYR 21 1HE TYR 21 -2.331 -1.958 -7.886 157 HE2 TYR 21 2HE TYR 21 -6.505 -1.873 -7.034 158 HH TYR 21 HH TYR 21 -5.606 -1.017 -8.891 159 H VAL 22 H VAL 22 -5.044 -3.993 -0.697 160 HA VAL 22 HA VAL 22 -2.547 -4.630 0.713 161 HB VAL 22 HB VAL 22 -3.716 -2.902 1.872 162 1HG1 VAL 22 1HG1 VAL 22 -5.944 -3.294 0.873 163 2HG1 VAL 22 2HG1 VAL 22 -6.158 -4.649 1.980 164 3HG1 VAL 22 3HG1 VAL 22 -5.992 -3.014 2.613 165 1HG2 VAL 22 1HG2 VAL 22 -4.178 -3.958 4.048 166 2HG2 VAL 22 2HG2 VAL 22 -4.144 -5.536 3.263 167 3HG2 VAL 22 3HG2 VAL 22 -2.687 -4.544 3.311 168 H ASN 23 H ASN 23 -2.121 -6.693 0.827 169 HA ASN 23 HA ASN 23 -4.033 -8.756 0.447 170 1HB ASN 23 2HB ASN 23 -1.502 -8.887 0.094 171 2HB ASN 23 1HB ASN 23 -1.364 -9.029 1.840 172 1HD2 ASN 23 1HD2 ASN 23 -0.562 -10.909 -0.196 173 2HD2 ASN 23 2HD2 ASN 23 -1.433 -12.370 0.117 174 H HIS 24 H HIS 24 -5.357 -9.714 1.976 175 HA HIS 24 HA HIS 24 -5.307 -8.594 4.657 176 1HB HIS 24 2HB HIS 24 -7.224 -10.253 3.080 177 2HB HIS 24 1HB HIS 24 -7.334 -10.291 4.838 178 HD1 HIS 24 1HD HIS 24 -9.643 -9.085 4.745 179 HD2 HIS 24 2HD HIS 24 -6.481 -6.902 3.151 180 HE1 HIS 24 1HE HIS 24 -10.493 -6.731 4.514 181 HE2 HIS 24 2HE HIS 24 -8.638 -5.477 3.361 182 H ASN 25 H ASN 25 -4.373 -11.471 3.032 183 HA ASN 25 HA ASN 25 -4.252 -13.032 5.472 184 1HB ASN 25 2HB ASN 25 -4.522 -14.760 4.089 185 2HB ASN 25 1HB ASN 25 -4.612 -13.619 2.755 186 1HD2 ASN 25 1HD2 ASN 25 -3.100 -13.659 1.256 187 2HD2 ASN 25 2HD2 ASN 25 -1.660 -14.616 1.302 188 H ASN 26 H ASN 26 -2.084 -11.343 3.315 189 HA ASN 26 HA ASN 26 0.175 -12.147 5.031 190 1HB ASN 26 2HB ASN 26 0.106 -12.604 2.440 191 2HB ASN 26 1HB ASN 26 0.580 -10.913 2.336 192 1HD2 ASN 26 1HD2 ASN 26 2.475 -11.893 1.311 193 2HD2 ASN 26 2HD2 ASN 26 3.789 -12.405 2.326 194 H ARG 27 H ARG 27 -1.756 -9.567 3.973 195 HA ARG 27 HA ARG 27 -1.803 -7.350 4.244 196 1HB ARG 27 2HB ARG 27 0.003 -7.676 6.620 197 2HB ARG 27 1HB ARG 27 -1.249 -6.468 6.339 198 1HG ARG 27 2HG ARG 27 -2.674 -8.796 6.220 199 2HG ARG 27 1HG ARG 27 -1.461 -9.152 7.453 200 1HD ARG 27 2HD ARG 27 -2.791 -6.513 7.614 201 2HD ARG 27 1HD ARG 27 -3.779 -7.923 7.995 202 HE ARG 27 HE ARG 27 -1.465 -6.943 9.485 203 1HH1 ARG 27 2HH1 ARG 27 -4.018 -9.304 9.119 204 2HH1 ARG 27 1HH1 ARG 27 -3.747 -10.031 10.674 205 1HH2 ARG 27 2HH2 ARG 27 -1.117 -7.876 11.542 206 2HH2 ARG 27 1HH2 ARG 27 -2.099 -9.216 12.057 207 H SER 28 H SER 28 0.247 -8.325 2.506 208 HA SER 28 HA SER 28 2.395 -6.447 2.658 209 1HB SER 28 2HB SER 28 1.494 -7.573 0.040 210 2HB SER 28 1HB SER 28 3.128 -7.401 0.686 211 HG SER 28 HG SER 28 2.778 -9.165 2.017 212 H THR 29 H THR 29 2.144 -4.321 2.391 213 HA THR 29 HA THR 29 -0.303 -3.372 1.086 214 HB THR 29 HB THR 29 0.697 -1.147 2.208 215 HG1 THR 29 1HG THR 29 1.437 -2.082 4.386 216 1HG2 THR 29 1HG2 THR 29 -1.493 -2.499 2.584 217 2HG2 THR 29 2HG2 THR 29 -0.940 -1.386 3.835 218 3HG2 THR 29 3HG2 THR 29 -0.658 -3.118 4.008 219 H GLN 30 H GLN 30 0.744 -3.837 -1.042 220 HA GLN 30 HA GLN 30 2.740 -1.798 -1.753 221 1HB GLN 30 2HB GLN 30 3.222 -3.161 -3.743 222 2HB GLN 30 1HB GLN 30 3.484 -4.049 -2.249 223 1HG GLN 30 2HG GLN 30 1.256 -5.084 -2.569 224 2HG GLN 30 1HG GLN 30 1.158 -4.313 -4.138 225 1HE2 GLN 30 1HE2 GLN 30 1.951 -5.343 -5.813 226 2HE2 GLN 30 2HE2 GLN 30 3.013 -6.704 -5.768 227 H TRP 31 H TRP 31 2.398 -0.370 -3.360 228 HA TRP 31 HA TRP 31 -0.380 -0.105 -4.252 229 1HB TRP 31 2HB TRP 31 1.150 2.139 -5.093 230 2HB TRP 31 1HB TRP 31 -0.085 2.080 -3.844 231 HD1 TRP 31 HD TRP 31 3.723 1.482 -4.163 232 HE1 TRP 31 1HE TRP 31 4.858 2.226 -1.977 233 HE3 TRP 31 3HE TRP 31 -0.437 2.797 -1.495 234 HZ2 TRP 31 2HZ TRP 31 4.080 3.225 0.536 235 HZ3 TRP 31 3HZ TRP 31 -0.149 3.635 0.787 236 HH2 TRP 31 HH TRP 31 2.060 3.852 1.776 237 H HIS 32 H HIS 32 2.099 -1.733 -5.368 238 HA HIS 32 HA HIS 32 2.012 -0.607 -8.083 239 1HB HIS 32 2HB HIS 32 4.129 -1.545 -8.547 240 2HB HIS 32 1HB HIS 32 4.253 -0.829 -6.952 241 HD1 HIS 32 1HD HIS 32 4.897 -2.345 -5.035 242 HD2 HIS 32 2HD HIS 32 4.235 -4.386 -8.603 243 HE1 HIS 32 1HE HIS 32 5.779 -4.671 -4.662 244 HE2 HIS 32 2HE HIS 32 5.595 -5.796 -6.908 245 H ARG 33 H ARG 33 0.303 -2.694 -6.523 246 HA ARG 33 HA ARG 33 -1.093 -4.374 -7.093 247 1HB ARG 33 2HB ARG 33 -1.027 -2.948 -9.315 248 2HB ARG 33 1HB ARG 33 -0.216 -4.378 -9.943 249 1HG ARG 33 2HG ARG 33 -2.083 -5.670 -9.803 250 2HG ARG 33 1HG ARG 33 -2.728 -4.780 -8.427 251 1HD ARG 33 2HD ARG 33 -4.171 -4.106 -10.076 252 2HD ARG 33 1HD ARG 33 -2.950 -2.839 -10.168 253 HE ARG 33 HE ARG 33 -3.081 -5.142 -12.010 254 1HH1 ARG 33 2HH1 ARG 33 -2.427 -1.767 -11.349 255 2HH1 ARG 33 1HH1 ARG 33 -1.956 -1.410 -12.983 256 1HH2 ARG 33 2HH2 ARG 33 -2.482 -4.682 -14.152 257 2HH2 ARG 33 1HH2 ARG 33 -1.994 -3.066 -14.583 258 HA PRO 34 HA PRO 34 1.622 -7.899 -6.806 259 1HB PRO 34 2HB PRO 34 -0.423 -9.723 -6.552 260 2HB PRO 34 1HB PRO 34 0.286 -8.818 -5.215 261 1HG PRO 34 2HG PRO 34 -2.251 -8.338 -6.688 262 2HG PRO 34 1HG PRO 34 -1.879 -8.088 -4.979 263 1HD PRO 34 2HD PRO 34 -2.018 -6.062 -6.787 264 2HD PRO 34 1HD PRO 34 -0.980 -6.013 -5.349 265 H SER 35 H SER 35 2.541 -8.559 -8.627 266 HA SER 35 HA SER 35 1.072 -8.923 -11.059 267 1HB SER 35 2HB SER 35 3.754 -10.009 -11.119 268 2HB SER 35 1HB SER 35 3.093 -8.617 -11.978 269 HG SER 35 HG SER 35 3.645 -7.305 -10.315 270 H LEU 36 H LEU 36 0.730 -10.848 -12.192 271 HA LEU 36 HA LEU 36 1.158 -13.324 -10.661 272 1HB LEU 36 2HB LEU 36 -1.310 -12.683 -12.278 273 2HB LEU 36 1HB LEU 36 -1.019 -14.138 -11.345 274 HG LEU 36 HG LEU 36 -1.172 -11.413 -10.077 275 1HD1 LEU 36 1HD1 LEU 36 -3.485 -12.075 -9.431 276 2HD1 LEU 36 2HD1 LEU 36 -3.280 -11.729 -11.148 277 3HD1 LEU 36 3HD1 LEU 36 -3.374 -13.399 -10.590 278 1HD2 LEU 36 1HD2 LEU 36 -1.748 -14.063 -8.816 279 2HD2 LEU 36 2HD2 LEU 36 -0.098 -13.455 -8.947 280 3HD2 LEU 36 3HD2 LEU 36 -1.309 -12.535 -8.053 Start of MODEL 13 1 1H GLY 1 1H GLY 1 -10.769 -1.351 -16.127 2 2H GLY 1 2H GLY 1 -12.218 -2.133 -16.538 3 3H GLY 1 3H GLY 1 -10.967 -3.006 -15.804 4 1HA GLY 1 2HA GLY 1 -11.455 -0.933 -14.077 5 2HA GLY 1 1HA GLY 1 -13.044 -1.465 -14.611 6 H SER 2 H SER 2 -11.819 -1.705 -11.986 7 HA SER 2 HA SER 2 -11.645 -3.179 -10.278 8 1HB SER 2 2HB SER 2 -12.961 -5.183 -12.123 9 2HB SER 2 1HB SER 2 -12.899 -5.245 -10.363 10 HG SER 2 HG SER 2 -14.892 -4.410 -11.352 11 HA PRO 3 HA PRO 3 -7.655 -4.698 -11.942 12 1HB PRO 3 2HB PRO 3 -7.068 -4.475 -9.040 13 2HB PRO 3 1HB PRO 3 -6.143 -3.880 -10.423 14 1HG PRO 3 2HG PRO 3 -7.537 -2.201 -8.895 15 2HG PRO 3 1HG PRO 3 -7.456 -1.983 -10.654 16 1HD PRO 3 2HD PRO 3 -9.669 -3.089 -8.978 17 2HD PRO 3 1HD PRO 3 -9.754 -2.045 -10.412 18 HA PRO 4 HA PRO 4 -8.587 -8.980 -10.856 19 1HB PRO 4 2HB PRO 4 -5.953 -9.331 -12.184 20 2HB PRO 4 1HB PRO 4 -7.490 -10.151 -12.488 21 1HG PRO 4 2HG PRO 4 -6.562 -8.298 -14.175 22 2HG PRO 4 1HG PRO 4 -8.295 -8.428 -13.816 23 1HD PRO 4 2HD PRO 4 -6.292 -6.451 -12.806 24 2HD PRO 4 1HD PRO 4 -7.994 -6.207 -13.251 25 H LEU 5 H LEU 5 -8.292 -9.217 -8.730 26 HA LEU 5 HA LEU 5 -5.553 -9.041 -7.670 27 1HB LEU 5 2HB LEU 5 -7.819 -7.486 -7.053 28 2HB LEU 5 1HB LEU 5 -7.566 -8.550 -5.688 29 HG LEU 5 HG LEU 5 -5.306 -7.704 -5.393 30 1HD1 LEU 5 1HD1 LEU 5 -5.654 -6.833 -8.090 31 2HD1 LEU 5 2HD1 LEU 5 -5.269 -5.441 -7.076 32 3HD1 LEU 5 3HD1 LEU 5 -4.191 -6.837 -7.102 33 1HD2 LEU 5 1HD2 LEU 5 -5.855 -5.371 -4.810 34 2HD2 LEU 5 2HD2 LEU 5 -7.368 -5.523 -5.704 35 3HD2 LEU 5 3HD2 LEU 5 -7.088 -6.512 -4.270 36 HA PRO 6 HA PRO 6 -6.263 -13.269 -6.404 37 1HB PRO 6 2HB PRO 6 -4.025 -12.667 -4.550 38 2HB PRO 6 1HB PRO 6 -4.174 -13.948 -5.758 39 1HG PRO 6 2HG PRO 6 -2.568 -11.859 -6.176 40 2HG PRO 6 1HG PRO 6 -3.515 -12.567 -7.500 41 1HD PRO 6 2HD PRO 6 -4.037 -10.075 -5.918 42 2HD PRO 6 1HD PRO 6 -4.220 -10.363 -7.662 43 HA PRO 7 HA PRO 7 -8.707 -13.104 -2.804 44 1HB PRO 7 2HB PRO 7 -8.033 -15.421 -1.500 45 2HB PRO 7 1HB PRO 7 -9.102 -15.340 -2.903 46 1HG PRO 7 2HG PRO 7 -6.206 -16.057 -2.764 47 2HG PRO 7 1HG PRO 7 -7.500 -16.771 -3.747 48 1HD PRO 7 2HD PRO 7 -5.706 -15.042 -4.771 49 2HD PRO 7 1HD PRO 7 -7.383 -15.105 -5.335 50 H GLY 8 H GLY 8 -8.526 -11.862 -1.095 51 1HA GLY 8 1HA GLY 8 -7.737 -11.534 1.177 52 2HA GLY 8 2HA GLY 8 -6.178 -12.173 0.668 53 H TRP 9 H TRP 9 -6.727 -10.478 -1.883 54 HA TRP 9 HA TRP 9 -5.304 -8.152 -0.890 55 1HB TRP 9 2HB TRP 9 -6.031 -9.158 -3.635 56 2HB TRP 9 1HB TRP 9 -5.316 -7.569 -3.388 57 HD1 TRP 9 HD TRP 9 -4.425 -11.233 -3.582 58 HE1 TRP 9 1HE TRP 9 -1.864 -11.489 -3.356 59 HE3 TRP 9 3HE TRP 9 -3.258 -6.477 -2.159 60 HZ2 TRP 9 2HZ TRP 9 0.343 -9.877 -2.665 61 HZ3 TRP 9 3HZ TRP 9 -0.914 -5.919 -1.723 62 HH2 TRP 9 HH TRP 9 0.852 -7.578 -1.977 63 H GLU 10 H GLU 10 -6.180 -6.190 -0.558 64 HA GLU 10 HA GLU 10 -8.938 -5.751 -1.508 65 1HB GLU 10 2HB GLU 10 -7.718 -5.450 1.145 66 2HB GLU 10 1HB GLU 10 -8.635 -4.045 0.625 67 1HG GLU 10 2HG GLU 10 -10.607 -5.346 0.343 68 2HG GLU 10 1HG GLU 10 -9.726 -6.841 0.617 69 H GLU 11 H GLU 11 -9.357 -3.914 -2.599 70 HA GLU 11 HA GLU 11 -7.119 -2.203 -3.295 71 1HB GLU 11 2HB GLU 11 -8.955 -3.026 -4.897 72 2HB GLU 11 1HB GLU 11 -9.971 -1.797 -4.157 73 1HG GLU 11 2HG GLU 11 -7.890 -0.264 -4.731 74 2HG GLU 11 1HG GLU 11 -7.643 -1.503 -5.963 75 H LYS 12 H LYS 12 -6.582 -0.499 -2.118 76 HA LYS 12 HA LYS 12 -8.712 1.014 -0.756 77 1HB LYS 12 2HB LYS 12 -6.112 0.033 0.421 78 2HB LYS 12 1HB LYS 12 -7.036 1.344 1.136 79 1HG LYS 12 2HG LYS 12 -8.901 -0.665 0.824 80 2HG LYS 12 1HG LYS 12 -7.433 -1.523 1.297 81 1HD LYS 12 2HD LYS 12 -8.621 0.829 2.759 82 2HD LYS 12 1HD LYS 12 -8.812 -0.861 3.226 83 1HE LYS 12 2HE LYS 12 -6.817 -0.914 4.203 84 2HE LYS 12 1HE LYS 12 -6.036 -0.136 2.827 85 1HZ LYS 12 1HZ LYS 12 -5.789 1.276 4.705 86 2HZ LYS 12 2HZ LYS 12 -7.438 1.191 5.077 87 3HZ LYS 12 3HZ LYS 12 -6.928 2.003 3.683 88 H VAL 13 H VAL 13 -8.446 3.240 -0.822 89 HA VAL 13 HA VAL 13 -5.997 4.200 -2.114 90 HB VAL 13 HB VAL 13 -8.730 5.098 -2.194 91 1HG1 VAL 13 1HG1 VAL 13 -8.600 7.398 -1.788 92 2HG1 VAL 13 2HG1 VAL 13 -7.814 6.662 -0.391 93 3HG1 VAL 13 3HG1 VAL 13 -6.839 7.363 -1.680 94 1HG2 VAL 13 1HG2 VAL 13 -6.503 6.451 -3.633 95 2HG2 VAL 13 2HG2 VAL 13 -6.863 4.759 -3.987 96 3HG2 VAL 13 3HG2 VAL 13 -8.105 5.989 -4.214 97 H ASP 14 H ASP 14 -4.427 5.100 -0.985 98 HA ASP 14 HA ASP 14 -4.698 5.454 1.858 99 1HB ASP 14 2HB ASP 14 -2.595 4.639 1.246 100 2HB ASP 14 1HB ASP 14 -2.457 5.733 -0.122 101 H ASN 15 H ASN 15 -4.082 7.474 2.926 102 HA ASN 15 HA ASN 15 -5.763 9.569 2.258 103 1HB ASN 15 2HB ASN 15 -5.005 10.589 4.169 104 2HB ASN 15 1HB ASN 15 -4.466 8.944 4.469 105 1HD2 ASN 15 1HD2 ASN 15 -2.189 8.481 3.638 106 2HD2 ASN 15 2HD2 ASN 15 -1.013 9.716 3.933 107 H LEU 16 H LEU 16 -2.567 8.924 1.087 108 HA LEU 16 HA LEU 16 -2.110 11.633 0.178 109 1HB LEU 16 2HB LEU 16 -0.603 9.079 0.173 110 2HB LEU 16 1HB LEU 16 -0.208 10.238 -1.081 111 HG LEU 16 HG LEU 16 -0.278 11.156 1.760 112 1HD1 LEU 16 1HD1 LEU 16 1.112 9.402 2.201 113 2HD1 LEU 16 2HD1 LEU 16 1.693 9.299 0.538 114 3HD1 LEU 16 3HD1 LEU 16 2.284 10.576 1.602 115 1HD2 LEU 16 1HD2 LEU 16 1.780 12.398 0.709 116 2HD2 LEU 16 2HD2 LEU 16 0.993 11.967 -0.809 117 3HD2 LEU 16 3HD2 LEU 16 0.135 12.943 0.383 118 H GLY 17 H GLY 17 -4.111 9.271 -0.890 119 1HA GLY 17 1HA GLY 17 -5.350 9.273 -2.860 120 2HA GLY 17 2HA GLY 17 -4.210 10.420 -3.552 121 H ARG 18 H ARG 18 -3.147 7.470 -2.044 122 HA ARG 18 HA ARG 18 -2.262 6.533 -4.684 123 1HB ARG 18 2HB ARG 18 -1.073 5.159 -2.381 124 2HB ARG 18 1HB ARG 18 -0.299 5.871 -3.782 125 1HG ARG 18 2HG ARG 18 -0.587 8.110 -2.705 126 2HG ARG 18 1HG ARG 18 -1.123 7.259 -1.253 127 1HD ARG 18 2HD ARG 18 0.998 6.984 -0.660 128 2HD ARG 18 1HD ARG 18 1.255 6.012 -2.106 129 HE ARG 18 HE ARG 18 1.420 8.904 -2.426 130 1HH1 ARG 18 2HH1 ARG 18 3.084 5.837 -2.120 131 2HH1 ARG 18 1HH1 ARG 18 4.612 6.460 -2.657 132 1HH2 ARG 18 2HH2 ARG 18 3.441 9.739 -3.113 133 2HH2 ARG 18 1HH2 ARG 18 4.830 8.689 -3.166 134 H THR 19 H THR 19 -3.684 5.154 -5.473 135 HA THR 19 HA THR 19 -5.331 3.479 -3.835 136 HB THR 19 HB THR 19 -4.949 2.806 -6.707 137 HG1 THR 19 1HG THR 19 -4.833 5.100 -6.740 138 1HG2 THR 19 1HG2 THR 19 -7.498 2.917 -6.563 139 2HG2 THR 19 2HG2 THR 19 -7.278 3.134 -4.826 140 3HG2 THR 19 3HG2 THR 19 -6.702 1.663 -5.609 141 H TYR 20 H TYR 20 -4.236 1.969 -2.674 142 HA TYR 20 HA TYR 20 -2.275 0.318 -4.109 143 1HB TYR 20 2HB TYR 20 -1.103 -0.038 -2.066 144 2HB TYR 20 1HB TYR 20 -1.368 1.683 -2.234 145 HD1 TYR 20 1HD TYR 20 -1.498 -1.032 -0.042 146 HD2 TYR 20 2HD TYR 20 -3.533 2.587 -0.972 147 HE1 TYR 20 1HE TYR 20 -2.425 -0.975 2.229 148 HE2 TYR 20 2HE TYR 20 -4.473 2.647 1.303 149 HH TYR 20 HH TYR 20 -3.326 0.603 3.810 150 H TYR 21 H TYR 21 -1.991 -1.853 -2.916 151 HA TYR 21 HA TYR 21 -4.673 -2.978 -2.505 152 1HB TYR 21 2HB TYR 21 -2.380 -4.336 -3.940 153 2HB TYR 21 1HB TYR 21 -4.041 -4.913 -3.806 154 HD1 TYR 21 1HD TYR 21 -1.755 -3.054 -5.805 155 HD2 TYR 21 2HD TYR 21 -5.877 -3.387 -4.802 156 HE1 TYR 21 1HE TYR 21 -2.352 -1.821 -7.846 157 HE2 TYR 21 2HE TYR 21 -6.479 -2.162 -6.841 158 HH TYR 21 HH TYR 21 -5.544 -0.655 -8.422 159 H VAL 22 H VAL 22 -4.886 -3.793 -0.591 160 HA VAL 22 HA VAL 22 -2.471 -4.472 0.935 161 HB VAL 22 HB VAL 22 -3.556 -2.709 2.038 162 1HG1 VAL 22 1HG1 VAL 22 -5.636 -2.663 0.847 163 2HG1 VAL 22 2HG1 VAL 22 -6.159 -4.157 1.623 164 3HG1 VAL 22 3HG1 VAL 22 -5.963 -2.687 2.580 165 1HG2 VAL 22 1HG2 VAL 22 -4.012 -5.370 3.250 166 2HG2 VAL 22 2HG2 VAL 22 -3.051 -4.008 3.825 167 3HG2 VAL 22 3HG2 VAL 22 -4.806 -3.988 4.011 168 H ASN 23 H ASN 23 -2.110 -6.580 0.925 169 HA ASN 23 HA ASN 23 -4.165 -8.545 0.695 170 1HB ASN 23 2HB ASN 23 -1.633 -8.761 0.137 171 2HB ASN 23 1HB ASN 23 -1.444 -9.093 1.852 172 1HD2 ASN 23 1HD2 ASN 23 -1.106 -10.718 -0.648 173 2HD2 ASN 23 2HD2 ASN 23 -2.010 -12.163 -0.357 174 H HIS 24 H HIS 24 -5.093 -9.816 2.354 175 HA HIS 24 HA HIS 24 -4.642 -8.764 5.063 176 1HB HIS 24 2HB HIS 24 -7.018 -9.997 3.728 177 2HB HIS 24 1HB HIS 24 -6.861 -10.095 5.481 178 HD1 HIS 24 1HD HIS 24 -8.731 -8.466 6.051 179 HD2 HIS 24 2HD HIS 24 -5.876 -6.883 3.481 180 HE1 HIS 24 1HE HIS 24 -9.213 -6.001 5.950 181 HE2 HIS 24 2HE HIS 24 -7.637 -5.121 4.197 182 H ASN 25 H ASN 25 -4.328 -11.570 3.100 183 HA ASN 25 HA ASN 25 -4.028 -13.354 5.367 184 1HB ASN 25 2HB ASN 25 -4.607 -14.917 3.870 185 2HB ASN 25 1HB ASN 25 -4.679 -13.673 2.631 186 1HD2 ASN 25 1HD2 ASN 25 -3.253 -13.712 1.031 187 2HD2 ASN 25 2HD2 ASN 25 -1.931 -14.817 0.904 188 H ASN 26 H ASN 26 -1.995 -11.852 2.890 189 HA ASN 26 HA ASN 26 0.397 -12.709 4.366 190 1HB ASN 26 2HB ASN 26 0.022 -12.760 1.718 191 2HB ASN 26 1HB ASN 26 0.606 -11.105 1.859 192 1HD2 ASN 26 1HD2 ASN 26 2.711 -10.776 2.829 193 2HD2 ASN 26 2HD2 ASN 26 3.907 -12.018 2.706 194 H ARG 27 H ARG 27 -1.706 -10.138 3.946 195 HA ARG 27 HA ARG 27 -1.834 -7.997 4.596 196 1HB ARG 27 2HB ARG 27 0.282 -8.880 6.548 197 2HB ARG 27 1HB ARG 27 -0.557 -7.333 6.607 198 1HG ARG 27 2HG ARG 27 -2.410 -9.540 6.435 199 2HG ARG 27 1HG ARG 27 -1.345 -9.671 7.836 200 1HD ARG 27 2HD ARG 27 -3.630 -8.066 7.562 201 2HD ARG 27 1HD ARG 27 -2.481 -8.087 8.896 202 HE ARG 27 HE ARG 27 -1.205 -6.400 7.441 203 1HH1 ARG 27 2HH1 ARG 27 -4.694 -6.673 7.597 204 2HH1 ARG 27 1HH1 ARG 27 -4.968 -4.999 7.208 205 1HH2 ARG 27 2HH2 ARG 27 -1.559 -4.217 6.875 206 2HH2 ARG 27 1HH2 ARG 27 -3.188 -3.603 6.770 207 H SER 28 H SER 28 0.213 -8.763 2.527 208 HA SER 28 HA SER 28 2.255 -6.836 2.564 209 1HB SER 28 2HB SER 28 1.271 -7.419 -0.098 210 2HB SER 28 1HB SER 28 2.796 -7.894 0.654 211 HG SER 28 HG SER 28 1.599 -9.745 0.150 212 H THR 29 H THR 29 2.153 -4.689 2.339 213 HA THR 29 HA THR 29 -0.383 -3.519 1.382 214 HB THR 29 HB THR 29 1.006 -1.546 2.815 215 HG1 THR 29 1HG THR 29 2.039 -3.728 3.629 216 1HG2 THR 29 1HG2 THR 29 -1.023 -1.310 3.729 217 2HG2 THR 29 2HG2 THR 29 -1.000 -2.950 4.379 218 3HG2 THR 29 3HG2 THR 29 -1.524 -2.665 2.719 219 H GLN 30 H GLN 30 0.626 -3.764 -0.776 220 HA GLN 30 HA GLN 30 2.701 -1.751 -1.322 221 1HB GLN 30 2HB GLN 30 2.943 -3.051 -3.506 222 2HB GLN 30 1HB GLN 30 3.507 -3.834 -2.038 223 1HG GLN 30 2HG GLN 30 2.299 -5.588 -2.637 224 2HG GLN 30 1HG GLN 30 0.867 -4.633 -2.259 225 1HE2 GLN 30 1HE2 GLN 30 2.598 -6.226 -4.657 226 2HE2 GLN 30 2HE2 GLN 30 1.661 -5.711 -6.014 227 H TRP 31 H TRP 31 2.486 -0.388 -3.206 228 HA TRP 31 HA TRP 31 -0.295 -0.102 -4.118 229 1HB TRP 31 2HB TRP 31 1.155 2.252 -4.764 230 2HB TRP 31 1HB TRP 31 -0.178 2.068 -3.645 231 HD1 TRP 31 HD TRP 31 3.620 1.326 -3.374 232 HE1 TRP 31 1HE TRP 31 4.477 2.320 -1.160 233 HE3 TRP 31 3HE TRP 31 -0.746 3.345 -1.668 234 HZ2 TRP 31 2HZ TRP 31 3.427 3.780 1.008 235 HZ3 TRP 31 3HZ TRP 31 -0.732 4.531 0.474 236 HH2 TRP 31 HH TRP 31 1.309 4.750 1.776 237 H HIS 32 H HIS 32 2.042 -1.746 -5.237 238 HA HIS 32 HA HIS 32 2.208 -0.393 -7.849 239 1HB HIS 32 2HB HIS 32 4.319 -1.397 -8.257 240 2HB HIS 32 1HB HIS 32 4.372 -0.765 -6.618 241 HD1 HIS 32 1HD HIS 32 4.594 -2.451 -4.700 242 HD2 HIS 32 2HD HIS 32 4.474 -4.190 -8.481 243 HE1 HIS 32 1HE HIS 32 5.289 -4.847 -4.372 244 HE2 HIS 32 2HE HIS 32 5.261 -5.874 -6.674 245 H ARG 33 H ARG 33 0.561 -2.791 -6.407 246 HA ARG 33 HA ARG 33 -0.868 -4.352 -7.210 247 1HB ARG 33 2HB ARG 33 -0.754 -2.675 -9.283 248 2HB ARG 33 1HB ARG 33 0.008 -4.067 -10.040 249 1HG ARG 33 2HG ARG 33 -2.580 -4.426 -8.606 250 2HG ARG 33 1HG ARG 33 -2.570 -3.702 -10.216 251 1HD ARG 33 2HD ARG 33 -0.902 -5.877 -10.482 252 2HD ARG 33 1HD ARG 33 -2.164 -6.467 -9.401 253 HE ARG 33 HE ARG 33 -3.339 -5.118 -11.580 254 1HH1 ARG 33 2HH1 ARG 33 -1.602 -8.061 -10.834 255 2HH1 ARG 33 1HH1 ARG 33 -2.351 -8.984 -12.109 256 1HH2 ARG 33 2HH2 ARG 33 -4.331 -6.308 -13.245 257 2HH2 ARG 33 1HH2 ARG 33 -3.927 -7.990 -13.472 258 HA PRO 34 HA PRO 34 1.851 -7.876 -7.183 259 1HB PRO 34 2HB PRO 34 -0.664 -9.388 -7.502 260 2HB PRO 34 1HB PRO 34 0.542 -9.474 -6.216 261 1HG PRO 34 2HG PRO 34 -1.865 -8.355 -5.817 262 2HG PRO 34 1HG PRO 34 -0.402 -7.732 -5.032 263 1HD PRO 34 2HD PRO 34 -1.886 -6.667 -7.399 264 2HD PRO 34 1HD PRO 34 -1.109 -5.790 -6.065 265 H SER 35 H SER 35 2.895 -8.768 -8.832 266 HA SER 35 HA SER 35 1.942 -8.543 -11.504 267 1HB SER 35 2HB SER 35 4.188 -10.349 -11.169 268 2HB SER 35 1HB SER 35 4.127 -8.775 -11.968 269 HG SER 35 HG SER 35 5.106 -7.979 -10.300 270 H LEU 36 H LEU 36 -0.021 -9.766 -11.381 271 HA LEU 36 HA LEU 36 0.424 -12.603 -11.923 272 1HB LEU 36 2HB LEU 36 -1.011 -11.518 -9.637 273 2HB LEU 36 1HB LEU 36 -2.053 -12.514 -10.633 274 HG LEU 36 HG LEU 36 -1.291 -14.166 -9.301 275 1HD1 LEU 36 1HD1 LEU 36 -0.383 -15.168 -11.120 276 2HD1 LEU 36 2HD1 LEU 36 0.710 -13.825 -11.458 277 3HD1 LEU 36 3HD1 LEU 36 1.090 -14.970 -10.171 278 1HD2 LEU 36 1HD2 LEU 36 1.353 -12.796 -8.882 279 2HD2 LEU 36 2HD2 LEU 36 -0.074 -12.468 -7.902 280 3HD2 LEU 36 3HD2 LEU 36 0.632 -14.084 -7.917 Start of MODEL 14 1 1H GLY 1 1H GLY 1 -15.293 -10.869 -14.997 2 2H GLY 1 2H GLY 1 -16.040 -11.991 -16.027 3 3H GLY 1 3H GLY 1 -15.522 -10.497 -16.636 4 1HA GLY 1 2HA GLY 1 -14.101 -12.617 -17.032 5 2HA GLY 1 1HA GLY 1 -13.327 -11.079 -16.667 6 H SER 2 H SER 2 -11.969 -13.397 -16.187 7 HA SER 2 HA SER 2 -12.274 -14.316 -13.514 8 1HB SER 2 2HB SER 2 -9.589 -14.667 -14.438 9 2HB SER 2 1HB SER 2 -10.864 -15.877 -14.287 10 HG SER 2 HG SER 2 -11.440 -15.573 -16.362 11 HA PRO 3 HA PRO 3 -10.722 -10.725 -11.431 12 1HB PRO 3 2HB PRO 3 -10.082 -12.714 -9.311 13 2HB PRO 3 1HB PRO 3 -11.024 -11.222 -9.210 14 1HG PRO 3 2HG PRO 3 -12.231 -13.595 -9.205 15 2HG PRO 3 1HG PRO 3 -12.937 -12.217 -10.070 16 1HD PRO 3 2HD PRO 3 -11.449 -14.575 -11.148 17 2HD PRO 3 1HD PRO 3 -12.851 -13.722 -11.823 18 HA PRO 4 HA PRO 4 -6.324 -11.338 -12.289 19 1HB PRO 4 2HB PRO 4 -6.164 -8.441 -12.007 20 2HB PRO 4 1HB PRO 4 -5.886 -9.432 -13.440 21 1HG PRO 4 2HG PRO 4 -8.018 -7.770 -13.180 22 2HG PRO 4 1HG PRO 4 -8.058 -9.256 -14.145 23 1HD PRO 4 2HD PRO 4 -9.125 -8.750 -11.394 24 2HD PRO 4 1HD PRO 4 -9.833 -9.690 -12.725 25 H LEU 5 H LEU 5 -7.955 -9.795 -9.697 26 HA LEU 5 HA LEU 5 -5.527 -9.623 -8.081 27 1HB LEU 5 2HB LEU 5 -7.447 -7.818 -8.300 28 2HB LEU 5 1HB LEU 5 -8.222 -8.815 -7.085 29 HG LEU 5 HG LEU 5 -6.387 -8.470 -5.548 30 1HD1 LEU 5 1HD1 LEU 5 -5.105 -7.037 -7.861 31 2HD1 LEU 5 2HD1 LEU 5 -4.575 -6.837 -6.190 32 3HD1 LEU 5 3HD1 LEU 5 -4.491 -8.422 -6.959 33 1HD2 LEU 5 1HD2 LEU 5 -7.508 -6.651 -4.942 34 2HD2 LEU 5 2HD2 LEU 5 -6.492 -5.707 -6.028 35 3HD2 LEU 5 3HD2 LEU 5 -8.026 -6.361 -6.601 36 HA PRO 6 HA PRO 6 -6.617 -13.649 -6.447 37 1HB PRO 6 2HB PRO 6 -4.468 -12.980 -4.527 38 2HB PRO 6 1HB PRO 6 -4.623 -14.371 -5.604 39 1HG PRO 6 2HG PRO 6 -2.859 -12.436 -6.117 40 2HG PRO 6 1HG PRO 6 -3.759 -13.225 -7.426 41 1HD PRO 6 2HD PRO 6 -4.233 -10.561 -6.140 42 2HD PRO 6 1HD PRO 6 -4.296 -11.008 -7.857 43 HA PRO 7 HA PRO 7 -9.271 -12.705 -3.051 44 1HB PRO 7 2HB PRO 7 -8.698 -15.463 -2.132 45 2HB PRO 7 1HB PRO 7 -10.241 -14.718 -2.559 46 1HG PRO 7 2HG PRO 7 -9.101 -16.502 -4.175 47 2HG PRO 7 1HG PRO 7 -9.937 -15.079 -4.832 48 1HD PRO 7 2HD PRO 7 -7.000 -15.555 -4.477 49 2HD PRO 7 1HD PRO 7 -7.856 -14.825 -5.849 50 H GLY 8 H GLY 8 -8.556 -11.428 -1.501 51 1HA GLY 8 1HA GLY 8 -7.684 -11.675 0.891 52 2HA GLY 8 2HA GLY 8 -6.229 -12.283 0.097 53 H TRP 9 H TRP 9 -6.797 -10.338 -2.156 54 HA TRP 9 HA TRP 9 -5.342 -8.115 -0.981 55 1HB TRP 9 2HB TRP 9 -6.089 -8.791 -3.830 56 2HB TRP 9 1HB TRP 9 -5.189 -7.350 -3.373 57 HD1 TRP 9 HD TRP 9 -4.781 -11.068 -3.960 58 HE1 TRP 9 1HE TRP 9 -2.282 -11.690 -3.749 59 HE3 TRP 9 3HE TRP 9 -3.016 -6.653 -2.102 60 HZ2 TRP 9 2HZ TRP 9 0.111 -10.454 -2.887 61 HZ3 TRP 9 3HZ TRP 9 -0.630 -6.459 -1.595 62 HH2 TRP 9 HH TRP 9 0.911 -8.314 -1.990 63 H GLU 10 H GLU 10 -6.077 -6.027 -0.833 64 HA GLU 10 HA GLU 10 -8.842 -5.502 -1.694 65 1HB GLU 10 2HB GLU 10 -7.714 -5.455 0.987 66 2HB GLU 10 1HB GLU 10 -8.429 -3.911 0.546 67 1HG GLU 10 2HG GLU 10 -10.546 -4.835 0.264 68 2HG GLU 10 1HG GLU 10 -9.914 -6.480 0.169 69 H GLU 11 H GLU 11 -9.001 -3.787 -2.959 70 HA GLU 11 HA GLU 11 -6.762 -1.994 -3.323 71 1HB GLU 11 2HB GLU 11 -8.437 -2.902 -5.115 72 2HB GLU 11 1HB GLU 11 -9.472 -1.596 -4.552 73 1HG GLU 11 2HG GLU 11 -7.731 0.021 -5.099 74 2HG GLU 11 1HG GLU 11 -6.693 -1.287 -5.665 75 H LYS 12 H LYS 12 -6.448 -0.401 -1.933 76 HA LYS 12 HA LYS 12 -8.758 1.184 -1.020 77 1HB LYS 12 2HB LYS 12 -6.516 0.064 0.660 78 2HB LYS 12 1HB LYS 12 -7.487 1.431 1.188 79 1HG LYS 12 2HG LYS 12 -9.343 0.151 1.546 80 2HG LYS 12 1HG LYS 12 -8.888 -1.038 0.326 81 1HD LYS 12 2HD LYS 12 -7.706 -2.273 1.784 82 2HD LYS 12 1HD LYS 12 -7.047 -0.856 2.600 83 1HE LYS 12 2HE LYS 12 -8.422 -2.055 4.153 84 2HE LYS 12 1HE LYS 12 -9.241 -0.556 3.725 85 1HZ LYS 12 1HZ LYS 12 -10.446 -1.988 2.001 86 2HZ LYS 12 2HZ LYS 12 -10.897 -2.163 3.629 87 3HZ LYS 12 3HZ LYS 12 -9.891 -3.318 2.900 88 H VAL 13 H VAL 13 -8.350 3.395 -0.754 89 HA VAL 13 HA VAL 13 -5.809 4.305 -1.877 90 HB VAL 13 HB VAL 13 -8.526 5.441 -1.735 91 1HG1 VAL 13 1HG1 VAL 13 -7.866 7.749 -1.718 92 2HG1 VAL 13 2HG1 VAL 13 -7.283 6.984 -0.238 93 3HG1 VAL 13 3HG1 VAL 13 -6.166 7.296 -1.566 94 1HG2 VAL 13 1HG2 VAL 13 -6.379 6.318 -3.599 95 2HG2 VAL 13 2HG2 VAL 13 -7.009 4.674 -3.732 96 3HG2 VAL 13 3HG2 VAL 13 -8.098 6.053 -3.905 97 H ASP 14 H ASP 14 -4.329 5.457 -0.730 98 HA ASP 14 HA ASP 14 -4.457 5.172 2.134 99 1HB ASP 14 2HB ASP 14 -2.172 5.537 2.135 100 2HB ASP 14 1HB ASP 14 -2.412 4.888 0.517 101 H ASN 15 H ASN 15 -3.052 7.291 3.104 102 HA ASN 15 HA ASN 15 -5.024 9.250 3.508 103 1HB ASN 15 2HB ASN 15 -3.671 9.425 5.290 104 2HB ASN 15 1HB ASN 15 -2.328 8.680 4.438 105 1HD2 ASN 15 1HD2 ASN 15 -0.663 9.908 3.849 106 2HD2 ASN 15 2HD2 ASN 15 -0.607 11.637 3.976 107 H LEU 16 H LEU 16 -2.324 9.075 1.258 108 HA LEU 16 HA LEU 16 -2.545 11.836 0.462 109 1HB LEU 16 2HB LEU 16 -1.102 9.551 -0.884 110 2HB LEU 16 1HB LEU 16 -0.909 11.251 -1.264 111 HG LEU 16 HG LEU 16 -0.263 10.117 1.450 112 1HD1 LEU 16 1HD1 LEU 16 1.157 8.932 -0.026 113 2HD1 LEU 16 2HD1 LEU 16 1.488 10.378 -0.978 114 3HD1 LEU 16 3HD1 LEU 16 2.117 10.240 0.663 115 1HD2 LEU 16 1HD2 LEU 16 -0.231 12.743 0.225 116 2HD2 LEU 16 2HD2 LEU 16 -0.094 12.282 1.923 117 3HD2 LEU 16 3HD2 LEU 16 1.338 12.296 0.894 118 H GLY 17 H GLY 17 -3.331 8.700 -1.032 119 1HA GLY 17 1HA GLY 17 -5.601 8.861 -2.212 120 2HA GLY 17 2HA GLY 17 -4.831 10.167 -3.104 121 H ARG 18 H ARG 18 -2.918 7.460 -2.145 122 HA ARG 18 HA ARG 18 -2.784 6.582 -4.940 123 1HB ARG 18 2HB ARG 18 -1.023 5.453 -2.795 124 2HB ARG 18 1HB ARG 18 -0.683 5.705 -4.498 125 1HG ARG 18 2HG ARG 18 -0.964 8.258 -3.718 126 2HG ARG 18 1HG ARG 18 -0.375 7.539 -2.217 127 1HD ARG 18 2HD ARG 18 1.535 8.257 -3.423 128 2HD ARG 18 1HD ARG 18 1.475 6.500 -3.563 129 HE ARG 18 HE ARG 18 0.689 8.391 -5.693 130 1HH1 ARG 18 2HH1 ARG 18 1.940 5.291 -4.651 131 2HH1 ARG 18 1HH1 ARG 18 2.187 4.697 -6.265 132 1HH2 ARG 18 2HH2 ARG 18 1.031 7.624 -7.819 133 2HH2 ARG 18 1HH2 ARG 18 1.654 6.021 -8.073 134 H THR 19 H THR 19 -3.682 4.723 -5.566 135 HA THR 19 HA THR 19 -5.238 3.238 -3.657 136 HB THR 19 HB THR 19 -5.112 1.956 -6.212 137 HG1 THR 19 1HG THR 19 -5.916 4.653 -6.497 138 1HG2 THR 19 1HG2 THR 19 -7.262 1.743 -5.676 139 2HG2 THR 19 2HG2 THR 19 -7.495 3.477 -5.906 140 3HG2 THR 19 3HG2 THR 19 -7.031 2.851 -4.322 141 H TYR 20 H TYR 20 -4.004 1.961 -2.353 142 HA TYR 20 HA TYR 20 -1.993 0.258 -3.620 143 1HB TYR 20 2HB TYR 20 -1.110 -0.175 -1.410 144 2HB TYR 20 1HB TYR 20 -1.250 1.558 -1.650 145 HD1 TYR 20 1HD TYR 20 -3.002 2.832 -0.452 146 HD2 TYR 20 2HD TYR 20 -2.369 -1.312 0.248 147 HE1 TYR 20 1HE TYR 20 -4.287 2.994 1.636 148 HE2 TYR 20 2HE TYR 20 -3.657 -1.160 2.322 149 HH TYR 20 HH TYR 20 -4.845 1.949 3.539 150 H TYR 21 H TYR 21 -1.843 -1.967 -2.759 151 HA TYR 21 HA TYR 21 -4.546 -3.117 -2.529 152 1HB TYR 21 2HB TYR 21 -2.128 -4.328 -3.911 153 2HB TYR 21 1HB TYR 21 -3.685 -5.109 -3.722 154 HD1 TYR 21 1HD TYR 21 -3.446 -5.448 -6.215 155 HD2 TYR 21 2HD TYR 21 -3.938 -1.592 -4.493 156 HE1 TYR 21 1HE TYR 21 -4.168 -4.574 -8.388 157 HE2 TYR 21 2HE TYR 21 -4.666 -0.709 -6.665 158 HH TYR 21 HH TYR 21 -5.786 -2.353 -9.034 159 H VAL 22 H VAL 22 -4.762 -3.764 -0.490 160 HA VAL 22 HA VAL 22 -2.364 -4.738 0.888 161 HB VAL 22 HB VAL 22 -3.345 -2.924 2.068 162 1HG1 VAL 22 1HG1 VAL 22 -5.897 -4.305 1.499 163 2HG1 VAL 22 2HG1 VAL 22 -5.774 -3.427 3.022 164 3HG1 VAL 22 3HG1 VAL 22 -5.513 -2.584 1.495 165 1HG2 VAL 22 1HG2 VAL 22 -3.012 -5.458 3.200 166 2HG2 VAL 22 2HG2 VAL 22 -2.965 -3.899 4.022 167 3HG2 VAL 22 3HG2 VAL 22 -4.481 -4.801 3.921 168 H ASN 23 H ASN 23 -2.123 -6.829 0.932 169 HA ASN 23 HA ASN 23 -4.284 -8.672 0.682 170 1HB ASN 23 2HB ASN 23 -1.809 -9.052 0.067 171 2HB ASN 23 1HB ASN 23 -1.564 -9.355 1.785 172 1HD2 ASN 23 1HD2 ASN 23 -2.581 -10.647 -1.182 173 2HD2 ASN 23 2HD2 ASN 23 -3.105 -12.186 -0.598 174 H HIS 24 H HIS 24 -5.280 -9.908 2.354 175 HA HIS 24 HA HIS 24 -4.773 -8.833 5.044 176 1HB HIS 24 2HB HIS 24 -7.218 -9.899 3.716 177 2HB HIS 24 1HB HIS 24 -7.078 -10.025 5.469 178 HD1 HIS 24 1HD HIS 24 -8.407 -8.191 6.447 179 HD2 HIS 24 2HD HIS 24 -6.241 -6.944 3.132 180 HE1 HIS 24 1HE HIS 24 -8.888 -5.739 6.215 181 HE2 HIS 24 2HE HIS 24 -7.847 -5.112 4.015 182 H ASN 25 H ASN 25 -4.147 -11.514 3.204 183 HA ASN 25 HA ASN 25 -4.237 -13.360 5.469 184 1HB ASN 25 2HB ASN 25 -4.769 -14.907 3.952 185 2HB ASN 25 1HB ASN 25 -4.749 -13.661 2.716 186 1HD2 ASN 25 1HD2 ASN 25 -3.228 -13.716 1.191 187 2HD2 ASN 25 2HD2 ASN 25 -1.968 -14.889 1.096 188 H ASN 26 H ASN 26 -1.964 -11.933 3.171 189 HA ASN 26 HA ASN 26 0.220 -12.736 4.990 190 1HB ASN 26 2HB ASN 26 0.189 -13.385 2.433 191 2HB ASN 26 1HB ASN 26 0.746 -11.729 2.218 192 1HD2 ASN 26 1HD2 ASN 26 1.449 -14.302 4.577 193 2HD2 ASN 26 2HD2 ASN 26 3.169 -14.222 4.392 194 H ARG 27 H ARG 27 -1.724 -10.262 4.126 195 HA ARG 27 HA ARG 27 -1.733 -8.014 4.233 196 1HB ARG 27 2HB ARG 27 -0.045 -8.520 6.670 197 2HB ARG 27 1HB ARG 27 -1.074 -7.123 6.361 198 1HG ARG 27 2HG ARG 27 -3.042 -8.565 6.367 199 2HG ARG 27 1HG ARG 27 -2.016 -9.963 6.693 200 1HD ARG 27 2HD ARG 27 -2.300 -7.542 8.467 201 2HD ARG 27 1HD ARG 27 -3.076 -9.104 8.732 202 HE ARG 27 HE ARG 27 -0.430 -9.709 8.544 203 1HH1 ARG 27 2HH1 ARG 27 -2.308 -7.517 10.518 204 2HH1 ARG 27 1HH1 ARG 27 -1.220 -7.585 11.870 205 1HH2 ARG 27 2HH2 ARG 27 1.024 -9.790 10.294 206 2HH2 ARG 27 1HH2 ARG 27 0.675 -8.899 11.749 207 H SER 28 H SER 28 -0.455 -7.850 2.288 208 HA SER 28 HA SER 28 2.052 -6.401 2.794 209 1HB SER 28 2HB SER 28 1.428 -7.099 0.005 210 2HB SER 28 1HB SER 28 2.925 -7.322 0.912 211 HG SER 28 HG SER 28 2.389 -9.342 1.023 212 H THR 29 H THR 29 2.111 -4.245 2.273 213 HA THR 29 HA THR 29 -0.378 -3.110 1.183 214 HB THR 29 HB THR 29 0.891 -0.993 2.334 215 HG1 THR 29 1HG THR 29 1.311 -3.166 4.139 216 1HG2 THR 29 1HG2 THR 29 -1.478 -2.153 2.621 217 2HG2 THR 29 2HG2 THR 29 -0.874 -0.975 3.785 218 3HG2 THR 29 3HG2 THR 29 -0.750 -2.700 4.131 219 H GLN 30 H GLN 30 0.617 -3.595 -0.962 220 HA GLN 30 HA GLN 30 2.706 -1.651 -1.705 221 1HB GLN 30 2HB GLN 30 2.863 -3.181 -3.804 222 2HB GLN 30 1HB GLN 30 3.595 -3.713 -2.298 223 1HG GLN 30 2HG GLN 30 2.458 -5.599 -2.498 224 2HG GLN 30 1HG GLN 30 0.991 -4.673 -2.219 225 1HE2 GLN 30 1HE2 GLN 30 2.899 -6.333 -4.497 226 2HE2 GLN 30 2HE2 GLN 30 1.808 -6.216 -5.831 227 H TRP 31 H TRP 31 2.397 -0.257 -3.447 228 HA TRP 31 HA TRP 31 -0.333 -0.220 -4.534 229 1HB TRP 31 2HB TRP 31 1.025 2.161 -5.274 230 2HB TRP 31 1HB TRP 31 -0.343 1.982 -4.195 231 HD1 TRP 31 HD TRP 31 3.473 1.430 -3.744 232 HE1 TRP 31 1HE TRP 31 4.184 2.578 -1.555 233 HE3 TRP 31 3HE TRP 31 -1.043 3.349 -2.353 234 HZ2 TRP 31 2HZ TRP 31 2.981 4.112 0.481 235 HZ3 TRP 31 3HZ TRP 31 -1.173 4.654 -0.280 236 HH2 TRP 31 HH TRP 31 0.794 5.030 1.103 237 H HIS 32 H HIS 32 1.789 -1.971 -5.556 238 HA HIS 32 HA HIS 32 1.881 -0.803 -8.266 239 1HB HIS 32 2HB HIS 32 3.936 -2.227 -8.677 240 2HB HIS 32 1HB HIS 32 4.151 -0.840 -7.621 241 HD1 HIS 32 1HD HIS 32 3.671 -4.611 -7.353 242 HD2 HIS 32 2HD HIS 32 5.337 -1.420 -5.268 243 HE1 HIS 32 1HE HIS 32 4.836 -5.625 -5.364 244 HE2 HIS 32 2HE HIS 32 5.846 -3.679 -4.123 245 H ARG 33 H ARG 33 0.440 -3.057 -6.454 246 HA ARG 33 HA ARG 33 -0.800 -4.906 -6.861 247 1HB ARG 33 2HB ARG 33 -1.610 -3.661 -8.834 248 2HB ARG 33 1HB ARG 33 -0.268 -4.293 -9.780 249 1HG ARG 33 2HG ARG 33 -1.316 -6.602 -8.919 250 2HG ARG 33 1HG ARG 33 -2.770 -5.602 -8.922 251 1HD ARG 33 2HD ARG 33 -2.926 -5.781 -11.121 252 2HD ARG 33 1HD ARG 33 -1.310 -5.105 -11.318 253 HE ARG 33 HE ARG 33 -0.880 -7.723 -10.655 254 1HH1 ARG 33 2HH1 ARG 33 -2.709 -6.081 -13.139 255 2HH1 ARG 33 1HH1 ARG 33 -2.477 -7.331 -14.327 256 1HH2 ARG 33 2HH2 ARG 33 -0.583 -9.403 -12.193 257 2HH2 ARG 33 1HH2 ARG 33 -1.261 -9.231 -13.786 258 HA PRO 34 HA PRO 34 2.183 -8.238 -7.270 259 1HB PRO 34 2HB PRO 34 -0.213 -9.917 -7.709 260 2HB PRO 34 1HB PRO 34 1.052 -10.069 -6.490 261 1HG PRO 34 2HG PRO 34 -1.406 -9.223 -5.855 262 2HG PRO 34 1HG PRO 34 0.039 -8.569 -5.060 263 1HD PRO 34 2HD PRO 34 -1.654 -7.367 -7.212 264 2HD PRO 34 1HD PRO 34 -0.886 -6.588 -5.813 265 H SER 35 H SER 35 3.091 -7.727 -9.253 266 HA SER 35 HA SER 35 1.629 -8.694 -11.623 267 1HB SER 35 2HB SER 35 3.601 -6.465 -11.888 268 2HB SER 35 1HB SER 35 2.159 -6.811 -12.841 269 HG SER 35 HG SER 35 2.062 -5.953 -10.135 270 H LEU 36 H LEU 36 2.615 -10.621 -11.851 271 HA LEU 36 HA LEU 36 5.524 -10.585 -12.298 272 1HB LEU 36 2HB LEU 36 4.059 -12.230 -10.629 273 2HB LEU 36 1HB LEU 36 4.268 -13.212 -12.065 274 HG LEU 36 HG LEU 36 6.746 -11.930 -11.199 275 1HD1 LEU 36 1HD1 LEU 36 5.331 -12.526 -9.057 276 2HD1 LEU 36 2HD1 LEU 36 5.883 -14.158 -9.433 277 3HD1 LEU 36 3HD1 LEU 36 7.058 -12.875 -9.146 278 1HD2 LEU 36 1HD2 LEU 36 7.106 -14.638 -11.197 279 2HD2 LEU 36 2HD2 LEU 36 5.782 -14.436 -12.346 280 3HD2 LEU 36 3HD2 LEU 36 7.304 -13.583 -12.598 Start of MODEL 15 1 1H GLY 1 1H GLY 1 -13.400 -5.326 -10.310 2 2H GLY 1 2H GLY 1 -12.521 -4.436 -11.454 3 3H GLY 1 3H GLY 1 -11.740 -5.615 -10.518 4 1HA GLY 1 2HA GLY 1 -12.969 -7.368 -11.566 5 2HA GLY 1 1HA GLY 1 -13.902 -6.184 -12.468 6 H SER 2 H SER 2 -12.158 -4.478 -13.491 7 HA SER 2 HA SER 2 -11.071 -5.880 -15.652 8 1HB SER 2 2HB SER 2 -9.894 -3.254 -15.348 9 2HB SER 2 1HB SER 2 -11.043 -3.833 -16.555 10 HG SER 2 HG SER 2 -12.004 -2.189 -15.356 11 HA PRO 3 HA PRO 3 -6.673 -5.213 -13.787 12 1HB PRO 3 2HB PRO 3 -7.078 -4.550 -10.962 13 2HB PRO 3 1HB PRO 3 -6.073 -3.739 -12.167 14 1HG PRO 3 2HG PRO 3 -8.316 -2.612 -11.202 15 2HG PRO 3 1HG PRO 3 -7.785 -2.374 -12.878 16 1HD PRO 3 2HD PRO 3 -9.889 -4.229 -11.806 17 2HD PRO 3 1HD PRO 3 -9.939 -3.179 -13.239 18 HA PRO 4 HA PRO 4 -7.077 -9.342 -12.192 19 1HB PRO 4 2HB PRO 4 -4.442 -10.010 -12.236 20 2HB PRO 4 1HB PRO 4 -5.439 -9.938 -13.693 21 1HG PRO 4 2HG PRO 4 -3.503 -7.926 -12.619 22 2HG PRO 4 1HG PRO 4 -3.768 -8.442 -14.294 23 1HD PRO 4 2HD PRO 4 -4.774 -6.134 -13.279 24 2HD PRO 4 1HD PRO 4 -5.577 -7.054 -14.567 25 H LEU 5 H LEU 5 -7.407 -9.833 -10.113 26 HA LEU 5 HA LEU 5 -5.389 -9.039 -8.147 27 1HB LEU 5 2HB LEU 5 -7.731 -7.697 -8.342 28 2HB LEU 5 1HB LEU 5 -8.189 -8.972 -7.228 29 HG LEU 5 HG LEU 5 -6.436 -8.303 -5.682 30 1HD1 LEU 5 1HD1 LEU 5 -4.617 -7.401 -6.612 31 2HD1 LEU 5 2HD1 LEU 5 -5.513 -6.792 -8.003 32 3HD1 LEU 5 3HD1 LEU 5 -5.492 -5.874 -6.496 33 1HD2 LEU 5 1HD2 LEU 5 -7.592 -5.662 -6.234 34 2HD2 LEU 5 2HD2 LEU 5 -8.758 -6.982 -6.130 35 3HD2 LEU 5 3HD2 LEU 5 -7.670 -6.660 -4.782 36 HA PRO 6 HA PRO 6 -5.891 -13.382 -7.141 37 1HB PRO 6 2HB PRO 6 -3.864 -12.713 -5.113 38 2HB PRO 6 1HB PRO 6 -3.790 -13.894 -6.421 39 1HG PRO 6 2HG PRO 6 -2.347 -11.638 -6.490 40 2HG PRO 6 1HG PRO 6 -3.046 -12.341 -7.963 41 1HD PRO 6 2HD PRO 6 -4.033 -10.043 -6.306 42 2HD PRO 6 1HD PRO 6 -3.938 -10.195 -8.074 43 HA PRO 7 HA PRO 7 -8.471 -13.275 -3.570 44 1HB PRO 7 2HB PRO 7 -7.826 -15.625 -2.326 45 2HB PRO 7 1HB PRO 7 -8.857 -15.516 -3.755 46 1HG PRO 7 2HG PRO 7 -5.962 -16.225 -3.555 47 2HG PRO 7 1HG PRO 7 -7.221 -16.924 -4.589 48 1HD PRO 7 2HD PRO 7 -5.399 -15.147 -5.508 49 2HD PRO 7 1HD PRO 7 -7.050 -15.236 -6.147 50 H GLY 8 H GLY 8 -8.382 -12.289 -1.650 51 1HA GLY 8 1HA GLY 8 -7.533 -12.070 0.588 52 2HA GLY 8 2HA GLY 8 -5.961 -12.615 0.004 53 H TRP 9 H TRP 9 -6.838 -10.648 -2.359 54 HA TRP 9 HA TRP 9 -5.385 -8.402 -1.168 55 1HB TRP 9 2HB TRP 9 -5.962 -9.197 -4.019 56 2HB TRP 9 1HB TRP 9 -5.232 -7.654 -3.591 57 HD1 TRP 9 HD TRP 9 -4.432 -11.343 -3.938 58 HE1 TRP 9 1HE TRP 9 -1.894 -11.687 -3.612 59 HE3 TRP 9 3HE TRP 9 -3.206 -6.670 -2.301 60 HZ2 TRP 9 2HZ TRP 9 0.331 -10.147 -2.758 61 HZ3 TRP 9 3HZ TRP 9 -0.872 -6.190 -1.747 62 HH2 TRP 9 HH TRP 9 0.867 -7.884 -1.968 63 H GLU 10 H GLU 10 -6.322 -6.523 -0.695 64 HA GLU 10 HA GLU 10 -9.033 -6.020 -1.750 65 1HB GLU 10 2HB GLU 10 -8.731 -6.432 0.765 66 2HB GLU 10 1HB GLU 10 -7.893 -4.890 0.804 67 1HG GLU 10 2HG GLU 10 -10.370 -4.938 1.420 68 2HG GLU 10 1HG GLU 10 -9.802 -3.680 0.328 69 H GLU 11 H GLU 11 -9.518 -3.933 -2.465 70 HA GLU 11 HA GLU 11 -7.191 -2.360 -3.254 71 1HB GLU 11 2HB GLU 11 -9.218 -3.005 -4.761 72 2HB GLU 11 1HB GLU 11 -10.030 -1.673 -3.948 73 1HG GLU 11 2HG GLU 11 -8.592 -0.080 -4.852 74 2HG GLU 11 1HG GLU 11 -7.361 -1.278 -5.249 75 H LYS 12 H LYS 12 -6.500 -0.810 -1.937 76 HA LYS 12 HA LYS 12 -8.494 0.749 -0.441 77 1HB LYS 12 2HB LYS 12 -6.108 -0.707 0.621 78 2HB LYS 12 1HB LYS 12 -6.567 0.818 1.363 79 1HG LYS 12 2HG LYS 12 -8.935 -0.634 1.169 80 2HG LYS 12 1HG LYS 12 -7.712 -1.797 1.681 81 1HD LYS 12 2HD LYS 12 -8.141 0.876 3.001 82 2HD LYS 12 1HD LYS 12 -8.886 -0.625 3.552 83 1HE LYS 12 2HE LYS 12 -6.910 -1.482 4.317 84 2HE LYS 12 1HE LYS 12 -5.940 -0.562 3.167 85 1HZ LYS 12 1HZ LYS 12 -6.683 1.457 4.513 86 2HZ LYS 12 2HZ LYS 12 -5.516 0.440 5.208 87 3HZ LYS 12 3HZ LYS 12 -7.129 0.350 5.715 88 H VAL 13 H VAL 13 -7.902 2.909 -0.013 89 HA VAL 13 HA VAL 13 -5.604 3.821 -1.612 90 HB VAL 13 HB VAL 13 -8.340 4.627 -1.731 91 1HG1 VAL 13 1HG1 VAL 13 -6.574 6.989 -1.197 92 2HG1 VAL 13 2HG1 VAL 13 -8.326 6.949 -1.403 93 3HG1 VAL 13 3HG1 VAL 13 -7.593 6.269 0.050 94 1HG2 VAL 13 1HG2 VAL 13 -6.628 4.298 -3.559 95 2HG2 VAL 13 2HG2 VAL 13 -7.689 5.697 -3.715 96 3HG2 VAL 13 3HG2 VAL 13 -6.034 5.909 -3.152 97 H ASP 14 H ASP 14 -4.092 5.070 -0.646 98 HA ASP 14 HA ASP 14 -4.251 5.423 2.199 99 1HB ASP 14 2HB ASP 14 -2.015 5.625 2.103 100 2HB ASP 14 1HB ASP 14 -2.168 5.163 0.415 101 H ASN 15 H ASN 15 -3.884 7.628 3.193 102 HA ASN 15 HA ASN 15 -6.103 9.190 2.335 103 1HB ASN 15 2HB ASN 15 -5.855 10.418 4.329 104 2HB ASN 15 1HB ASN 15 -5.379 8.775 4.732 105 1HD2 ASN 15 1HD2 ASN 15 -4.555 11.984 4.944 106 2HD2 ASN 15 2HD2 ASN 15 -2.883 11.797 5.365 107 H LEU 16 H LEU 16 -3.021 9.206 1.158 108 HA LEU 16 HA LEU 16 -3.051 12.089 0.636 109 1HB LEU 16 2HB LEU 16 -0.945 9.986 0.564 110 2HB LEU 16 1HB LEU 16 -0.772 11.364 -0.506 111 HG LEU 16 HG LEU 16 -1.376 12.034 2.300 112 1HD1 LEU 16 1HD1 LEU 16 1.464 11.448 1.902 113 2HD1 LEU 16 2HD1 LEU 16 0.436 11.204 3.315 114 3HD1 LEU 16 3HD1 LEU 16 0.428 10.024 2.004 115 1HD2 LEU 16 1HD2 LEU 16 -0.850 13.628 0.416 116 2HD2 LEU 16 2HD2 LEU 16 0.095 13.831 1.892 117 3HD2 LEU 16 3HD2 LEU 16 0.807 13.029 0.491 118 H GLY 17 H GLY 17 -3.774 9.072 -0.805 119 1HA GLY 17 1HA GLY 17 -5.314 9.259 -2.699 120 2HA GLY 17 2HA GLY 17 -4.264 10.511 -3.340 121 H ARG 18 H ARG 18 -3.009 7.529 -1.953 122 HA ARG 18 HA ARG 18 -2.280 6.703 -4.689 123 1HB ARG 18 2HB ARG 18 -0.790 5.547 -2.381 124 2HB ARG 18 1HB ARG 18 -0.227 5.964 -3.989 125 1HG ARG 18 2HG ARG 18 -0.113 8.285 -3.431 126 2HG ARG 18 1HG ARG 18 -0.875 7.992 -1.867 127 1HD ARG 18 2HD ARG 18 1.391 6.288 -2.109 128 2HD ARG 18 1HD ARG 18 1.875 7.928 -2.536 129 HE ARG 18 HE ARG 18 0.336 7.646 -0.085 130 1HH1 ARG 18 2HH1 ARG 18 3.508 7.940 -1.571 131 2HH1 ARG 18 1HH1 ARG 18 4.272 8.456 -0.094 132 1HH2 ARG 18 2HH2 ARG 18 1.372 8.268 1.839 133 2HH2 ARG 18 1HH2 ARG 18 3.072 8.631 1.827 134 H THR 19 H THR 19 -3.582 5.180 -5.378 135 HA THR 19 HA THR 19 -5.039 3.424 -3.682 136 HB THR 19 HB THR 19 -4.681 2.671 -6.521 137 HG1 THR 19 1HG THR 19 -5.923 4.495 -7.211 138 1HG2 THR 19 1HG2 THR 19 -6.425 1.861 -4.765 139 2HG2 THR 19 2HG2 THR 19 -6.951 2.182 -6.418 140 3HG2 THR 19 3HG2 THR 19 -7.252 3.370 -5.151 141 H TYR 20 H TYR 20 -4.091 1.829 -2.594 142 HA TYR 20 HA TYR 20 -2.075 0.231 -4.007 143 1HB TYR 20 2HB TYR 20 -1.108 -0.351 -1.839 144 2HB TYR 20 1HB TYR 20 -1.101 1.388 -2.082 145 HD1 TYR 20 1HD TYR 20 -2.382 -1.366 -0.079 146 HD2 TYR 20 2HD TYR 20 -2.635 2.827 -0.776 147 HE1 TYR 20 1HE TYR 20 -3.500 -1.071 2.089 148 HE2 TYR 20 2HE TYR 20 -3.751 3.124 1.388 149 HH TYR 20 HH TYR 20 -4.457 2.164 3.242 150 H TYR 21 H TYR 21 -1.921 -2.023 -2.874 151 HA TYR 21 HA TYR 21 -4.659 -3.014 -2.514 152 1HB TYR 21 2HB TYR 21 -2.376 -4.318 -4.010 153 2HB TYR 21 1HB TYR 21 -3.883 -5.137 -3.603 154 HD1 TYR 21 1HD TYR 21 -2.252 -2.858 -5.889 155 HD2 TYR 21 2HD TYR 21 -6.033 -4.288 -4.560 156 HE1 TYR 21 1HE TYR 21 -3.304 -1.941 -7.912 157 HE2 TYR 21 2HE TYR 21 -7.093 -3.382 -6.585 158 HH TYR 21 HH TYR 21 -6.695 -1.667 -8.265 159 H VAL 22 H VAL 22 -5.001 -3.969 -0.671 160 HA VAL 22 HA VAL 22 -2.680 -4.599 1.012 161 HB VAL 22 HB VAL 22 -3.975 -2.886 2.016 162 1HG1 VAL 22 1HG1 VAL 22 -6.514 -3.948 2.511 163 2HG1 VAL 22 2HG1 VAL 22 -6.096 -2.591 1.467 164 3HG1 VAL 22 3HG1 VAL 22 -6.188 -4.222 0.800 165 1HG2 VAL 22 1HG2 VAL 22 -4.622 -5.526 3.301 166 2HG2 VAL 22 2HG2 VAL 22 -3.246 -4.476 3.643 167 3HG2 VAL 22 3HG2 VAL 22 -4.878 -3.960 4.073 168 H ASN 23 H ASN 23 -2.246 -6.680 1.169 169 HA ASN 23 HA ASN 23 -4.200 -8.700 0.646 170 1HB ASN 23 2HB ASN 23 -1.642 -8.865 0.327 171 2HB ASN 23 1HB ASN 23 -1.588 -9.201 2.055 172 1HD2 ASN 23 1HD2 ASN 23 -1.963 -10.524 -0.998 173 2HD2 ASN 23 2HD2 ASN 23 -2.519 -12.098 -0.533 174 H HIS 24 H HIS 24 -5.161 -10.120 2.148 175 HA HIS 24 HA HIS 24 -5.428 -8.984 4.830 176 1HB HIS 24 2HB HIS 24 -7.014 -11.014 3.270 177 2HB HIS 24 1HB HIS 24 -7.263 -10.778 4.995 178 HD1 HIS 24 1HD HIS 24 -9.739 -10.133 3.984 179 HD2 HIS 24 2HD HIS 24 -6.637 -7.423 3.364 180 HE1 HIS 24 1HE HIS 24 -10.851 -7.946 3.441 181 HE2 HIS 24 2HE HIS 24 -8.968 -6.283 3.336 182 H ASN 25 H ASN 25 -4.319 -11.837 3.187 183 HA ASN 25 HA ASN 25 -3.918 -13.320 5.640 184 1HB ASN 25 2HB ASN 25 -4.154 -15.089 4.301 185 2HB ASN 25 1HB ASN 25 -4.427 -13.979 2.967 186 1HD2 ASN 25 1HD2 ASN 25 -2.986 -13.839 1.389 187 2HD2 ASN 25 2HD2 ASN 25 -1.512 -14.729 1.317 188 H ASN 26 H ASN 26 -1.988 -11.548 3.307 189 HA ASN 26 HA ASN 26 0.407 -12.167 4.918 190 1HB ASN 26 2HB ASN 26 -0.031 -11.932 2.043 191 2HB ASN 26 1HB ASN 26 1.306 -10.931 2.601 192 1HD2 ASN 26 1HD2 ASN 26 0.450 -13.854 4.266 193 2HD2 ASN 26 2HD2 ASN 26 1.827 -14.779 3.768 194 H ARG 27 H ARG 27 -1.821 -9.800 4.129 195 HA ARG 27 HA ARG 27 -2.041 -7.582 4.442 196 1HB ARG 27 2HB ARG 27 -0.009 -7.789 6.642 197 2HB ARG 27 1HB ARG 27 -1.412 -6.731 6.518 198 1HG ARG 27 2HG ARG 27 -2.685 -9.059 6.489 199 2HG ARG 27 1HG ARG 27 -1.244 -9.556 7.381 200 1HD ARG 27 2HD ARG 27 -3.350 -8.589 8.628 201 2HD ARG 27 1HD ARG 27 -1.717 -8.200 9.166 202 HE ARG 27 HE ARG 27 -1.957 -6.069 7.966 203 1HH1 ARG 27 2HH1 ARG 27 -4.839 -7.856 8.842 204 2HH1 ARG 27 1HH1 ARG 27 -5.874 -6.457 8.768 205 1HH2 ARG 27 2HH2 ARG 27 -3.315 -4.239 7.860 206 2HH2 ARG 27 1HH2 ARG 27 -5.021 -4.411 8.152 207 H SER 28 H SER 28 -0.031 -8.288 2.505 208 HA SER 28 HA SER 28 2.020 -6.300 2.678 209 1HB SER 28 2HB SER 28 1.373 -7.139 -0.021 210 2HB SER 28 1HB SER 28 2.837 -7.443 0.917 211 HG SER 28 HG SER 28 2.140 -9.376 1.375 212 H THR 29 H THR 29 1.945 -4.214 1.991 213 HA THR 29 HA THR 29 -0.594 -3.290 0.792 214 HB THR 29 HB THR 29 0.137 -1.077 2.047 215 HG1 THR 29 1HG THR 29 2.028 -1.772 2.990 216 1HG2 THR 29 1HG2 THR 29 -0.975 -2.415 4.179 217 2HG2 THR 29 2HG2 THR 29 -1.498 -3.376 2.795 218 3HG2 THR 29 3HG2 THR 29 -1.874 -1.654 2.868 219 H GLN 30 H GLN 30 0.648 -3.645 -1.254 220 HA GLN 30 HA GLN 30 2.672 -1.565 -1.722 221 1HB GLN 30 2HB GLN 30 3.315 -2.950 -3.714 222 2HB GLN 30 1HB GLN 30 3.613 -3.695 -2.153 223 1HG GLN 30 2HG GLN 30 1.645 -5.089 -2.421 224 2HG GLN 30 1HG GLN 30 1.266 -4.295 -3.943 225 1HE2 GLN 30 1HE2 GLN 30 1.566 -5.773 -5.424 226 2HE2 GLN 30 2HE2 GLN 30 2.980 -6.739 -5.605 227 H TRP 31 H TRP 31 2.433 -0.063 -3.314 228 HA TRP 31 HA TRP 31 -0.229 0.088 -4.495 229 1HB TRP 31 2HB TRP 31 1.275 2.412 -5.141 230 2HB TRP 31 1HB TRP 31 -0.109 2.270 -4.071 231 HD1 TRP 31 HD TRP 31 3.708 1.593 -3.728 232 HE1 TRP 31 1HE TRP 31 4.477 2.531 -1.455 233 HE3 TRP 31 3HE TRP 31 -0.781 3.326 -2.034 234 HZ2 TRP 31 2HZ TRP 31 3.314 3.843 0.758 235 HZ3 TRP 31 3HZ TRP 31 -0.869 4.419 0.166 236 HH2 TRP 31 HH TRP 31 1.135 4.674 1.529 237 H HIS 32 H HIS 32 2.030 -1.620 -5.595 238 HA HIS 32 HA HIS 32 1.925 -0.455 -8.297 239 1HB HIS 32 2HB HIS 32 3.824 -2.286 -8.692 240 2HB HIS 32 1HB HIS 32 4.187 -0.655 -8.156 241 HD1 HIS 32 1HD HIS 32 4.471 -4.203 -7.190 242 HD2 HIS 32 2HD HIS 32 4.908 -0.470 -5.396 243 HE1 HIS 32 1HE HIS 32 5.710 -4.618 -5.044 244 HE2 HIS 32 2HE HIS 32 5.850 -2.363 -3.911 245 H ARG 33 H ARG 33 0.279 -2.447 -6.534 246 HA ARG 33 HA ARG 33 -1.169 -4.149 -6.906 247 1HB ARG 33 2HB ARG 33 -1.468 -2.853 -9.102 248 2HB ARG 33 1HB ARG 33 -0.448 -4.087 -9.830 249 1HG ARG 33 2HG ARG 33 -2.029 -5.761 -9.510 250 2HG ARG 33 1HG ARG 33 -2.881 -4.850 -8.266 251 1HD ARG 33 2HD ARG 33 -3.769 -5.070 -10.784 252 2HD ARG 33 1HD ARG 33 -4.090 -3.671 -9.766 253 HE ARG 33 HE ARG 33 -1.953 -3.788 -11.798 254 1HH1 ARG 33 2HH1 ARG 33 -4.398 -2.018 -9.988 255 2HH1 ARG 33 1HH1 ARG 33 -4.086 -0.513 -10.805 256 1HH2 ARG 33 2HH2 ARG 33 -1.561 -1.806 -12.870 257 2HH2 ARG 33 1HH2 ARG 33 -2.467 -0.391 -12.421 258 HA PRO 34 HA PRO 34 1.524 -7.698 -6.627 259 1HB PRO 34 2HB PRO 34 -0.519 -9.549 -6.481 260 2HB PRO 34 1HB PRO 34 0.139 -8.663 -5.105 261 1HG PRO 34 2HG PRO 34 -2.339 -8.154 -6.672 262 2HG PRO 34 1HG PRO 34 -2.044 -7.956 -4.941 263 1HD PRO 34 2HD PRO 34 -2.124 -5.868 -6.654 264 2HD PRO 34 1HD PRO 34 -1.091 -5.883 -5.210 265 H SER 35 H SER 35 2.260 -7.462 -8.815 266 HA SER 35 HA SER 35 0.903 -9.281 -10.676 267 1HB SER 35 2HB SER 35 2.439 -7.044 -11.859 268 2HB SER 35 1HB SER 35 0.904 -7.753 -12.368 269 HG SER 35 HG SER 35 1.198 -6.104 -10.070 270 H LEU 36 H LEU 36 3.366 -9.220 -8.794 271 HA LEU 36 HA LEU 36 5.034 -10.828 -10.500 272 1HB LEU 36 2HB LEU 36 5.725 -8.050 -9.872 273 2HB LEU 36 1HB LEU 36 6.982 -9.195 -9.443 274 HG LEU 36 HG LEU 36 5.793 -8.739 -12.180 275 1HD1 LEU 36 1HD1 LEU 36 8.214 -7.855 -10.780 276 2HD1 LEU 36 2HD1 LEU 36 8.487 -8.496 -12.399 277 3HD1 LEU 36 3HD1 LEU 36 7.375 -7.149 -12.160 278 1HD2 LEU 36 1HD2 LEU 36 6.171 -10.987 -12.323 279 2HD2 LEU 36 2HD2 LEU 36 7.781 -10.388 -12.720 280 3HD2 LEU 36 3HD2 LEU 36 7.432 -10.968 -11.092 Start of MODEL 16 1 1H GLY 1 1H GLY 1 -9.923 -18.278 -12.894 2 2H GLY 1 2H GLY 1 -11.543 -18.486 -12.434 3 3H GLY 1 3H GLY 1 -10.300 -19.020 -11.416 4 1HA GLY 1 2HA GLY 1 -11.089 -17.028 -10.480 5 2HA GLY 1 1HA GLY 1 -9.541 -16.669 -11.235 6 H SER 2 H SER 2 -12.585 -15.544 -10.841 7 HA SER 2 HA SER 2 -13.066 -14.565 -13.490 8 1HB SER 2 2HB SER 2 -14.525 -13.166 -11.401 9 2HB SER 2 1HB SER 2 -15.133 -14.183 -12.710 10 HG SER 2 HG SER 2 -14.925 -15.965 -11.451 11 HA PRO 3 HA PRO 3 -11.717 -10.332 -11.815 12 1HB PRO 3 2HB PRO 3 -10.826 -9.987 -9.305 13 2HB PRO 3 1HB PRO 3 -12.555 -10.043 -9.674 14 1HG PRO 3 2HG PRO 3 -10.788 -12.172 -8.544 15 2HG PRO 3 1HG PRO 3 -12.447 -11.737 -8.093 16 1HD PRO 3 2HD PRO 3 -11.780 -13.843 -9.735 17 2HD PRO 3 1HD PRO 3 -13.353 -13.025 -9.748 18 HA PRO 4 HA PRO 4 -7.407 -11.094 -12.762 19 1HB PRO 4 2HB PRO 4 -7.214 -8.145 -12.739 20 2HB PRO 4 1HB PRO 4 -6.859 -9.280 -14.045 21 1HG PRO 4 2HG PRO 4 -9.030 -7.717 -14.116 22 2HG PRO 4 1HG PRO 4 -9.062 -9.375 -14.742 23 1HD PRO 4 2HD PRO 4 -10.103 -8.308 -12.144 24 2HD PRO 4 1HD PRO 4 -10.827 -9.503 -13.242 25 H LEU 5 H LEU 5 -8.604 -8.992 -10.263 26 HA LEU 5 HA LEU 5 -6.106 -9.065 -8.785 27 1HB LEU 5 2HB LEU 5 -7.820 -7.108 -8.891 28 2HB LEU 5 1HB LEU 5 -8.731 -8.058 -7.733 29 HG LEU 5 HG LEU 5 -6.526 -8.058 -6.357 30 1HD1 LEU 5 1HD1 LEU 5 -4.828 -7.043 -7.395 31 2HD1 LEU 5 2HD1 LEU 5 -5.893 -6.269 -8.569 32 3HD1 LEU 5 3HD1 LEU 5 -5.645 -5.533 -6.985 33 1HD2 LEU 5 1HD2 LEU 5 -7.541 -6.533 -5.055 34 2HD2 LEU 5 2HD2 LEU 5 -7.618 -5.334 -6.346 35 3HD2 LEU 5 3HD2 LEU 5 -8.828 -6.616 -6.258 36 HA PRO 6 HA PRO 6 -7.328 -13.029 -7.135 37 1HB PRO 6 2HB PRO 6 -5.110 -12.519 -5.242 38 2HB PRO 6 1HB PRO 6 -5.351 -13.867 -6.354 39 1HG PRO 6 2HG PRO 6 -3.508 -11.989 -6.834 40 2HG PRO 6 1HG PRO 6 -4.443 -12.725 -8.149 41 1HD PRO 6 2HD PRO 6 -4.785 -10.054 -6.842 42 2HD PRO 6 1HD PRO 6 -4.920 -10.497 -8.557 43 HA PRO 7 HA PRO 7 -9.857 -12.023 -3.657 44 1HB PRO 7 2HB PRO 7 -9.429 -14.807 -2.754 45 2HB PRO 7 1HB PRO 7 -10.929 -13.980 -3.185 46 1HG PRO 7 2HG PRO 7 -9.862 -15.830 -4.794 47 2HG PRO 7 1HG PRO 7 -10.661 -14.388 -5.451 48 1HD PRO 7 2HD PRO 7 -7.737 -14.962 -5.144 49 2HD PRO 7 1HD PRO 7 -8.595 -14.198 -6.497 50 H GLY 8 H GLY 8 -9.443 -11.117 -1.747 51 1HA GLY 8 1HA GLY 8 -8.502 -11.271 0.500 52 2HA GLY 8 2HA GLY 8 -7.116 -12.098 -0.209 53 H TRP 9 H TRP 9 -7.245 -10.185 -2.517 54 HA TRP 9 HA TRP 9 -5.611 -8.103 -1.364 55 1HB TRP 9 2HB TRP 9 -6.468 -8.759 -4.184 56 2HB TRP 9 1HB TRP 9 -5.540 -7.315 -3.794 57 HD1 TRP 9 HD TRP 9 -5.192 -11.065 -4.220 58 HE1 TRP 9 1HE TRP 9 -2.691 -11.698 -4.099 59 HE3 TRP 9 3HE TRP 9 -3.311 -6.577 -2.680 60 HZ2 TRP 9 2HZ TRP 9 -0.254 -10.441 -3.421 61 HZ3 TRP 9 3HZ TRP 9 -0.895 -6.378 -2.307 62 HH2 TRP 9 HH TRP 9 0.607 -8.267 -2.675 63 H GLU 10 H GLU 10 -6.475 -6.350 -0.499 64 HA GLU 10 HA GLU 10 -9.164 -5.542 -1.342 65 1HB GLU 10 2HB GLU 10 -8.036 -5.871 1.167 66 2HB GLU 10 1HB GLU 10 -8.052 -4.127 0.943 67 1HG GLU 10 2HG GLU 10 -10.437 -4.204 0.466 68 2HG GLU 10 1HG GLU 10 -10.429 -5.953 0.681 69 H GLU 11 H GLU 11 -9.601 -3.582 -2.156 70 HA GLU 11 HA GLU 11 -7.365 -1.960 -3.053 71 1HB GLU 11 2HB GLU 11 -9.631 -2.687 -4.302 72 2HB GLU 11 1HB GLU 11 -10.172 -1.166 -3.609 73 1HG GLU 11 2HG GLU 11 -8.804 0.084 -4.925 74 2HG GLU 11 1HG GLU 11 -7.593 -1.192 -5.069 75 H LYS 12 H LYS 12 -6.628 -0.441 -1.711 76 HA LYS 12 HA LYS 12 -8.597 1.189 -0.253 77 1HB LYS 12 2HB LYS 12 -6.165 -0.197 0.825 78 2HB LYS 12 1HB LYS 12 -6.707 1.308 1.550 79 1HG LYS 12 2HG LYS 12 -8.546 0.362 2.476 80 2HG LYS 12 1HG LYS 12 -8.741 -0.803 1.164 81 1HD LYS 12 2HD LYS 12 -7.591 -2.364 2.263 82 2HD LYS 12 1HD LYS 12 -6.286 -1.236 2.634 83 1HE LYS 12 2HE LYS 12 -7.090 -1.859 4.729 84 2HE LYS 12 1HE LYS 12 -7.864 -0.305 4.427 85 1HZ LYS 12 1HZ LYS 12 -9.896 -1.328 3.970 86 2HZ LYS 12 2HZ LYS 12 -9.304 -2.174 5.316 87 3HZ LYS 12 3HZ LYS 12 -9.201 -2.864 3.768 88 H VAL 13 H VAL 13 -7.996 3.361 0.058 89 HA VAL 13 HA VAL 13 -5.762 4.205 -1.667 90 HB VAL 13 HB VAL 13 -8.496 5.220 -1.337 91 1HG1 VAL 13 1HG1 VAL 13 -7.693 7.599 -1.904 92 2HG1 VAL 13 2HG1 VAL 13 -7.673 7.087 -0.216 93 3HG1 VAL 13 3HG1 VAL 13 -6.177 7.105 -1.149 94 1HG2 VAL 13 1HG2 VAL 13 -6.969 6.282 -3.536 95 2HG2 VAL 13 2HG2 VAL 13 -6.745 4.539 -3.386 96 3HG2 VAL 13 3HG2 VAL 13 -8.369 5.207 -3.552 97 H ASP 14 H ASP 14 -4.078 5.166 -0.745 98 HA ASP 14 HA ASP 14 -4.267 6.045 2.032 99 1HB ASP 14 2HB ASP 14 -2.299 4.719 1.304 100 2HB ASP 14 1HB ASP 14 -1.873 6.001 0.177 101 H ASN 15 H ASN 15 -3.372 8.204 2.601 102 HA ASN 15 HA ASN 15 -4.770 10.261 1.420 103 1HB ASN 15 2HB ASN 15 -3.623 10.286 3.670 104 2HB ASN 15 1HB ASN 15 -2.119 10.630 2.821 105 1HD2 ASN 15 1HD2 ASN 15 -1.801 12.627 3.673 106 2HD2 ASN 15 2HD2 ASN 15 -2.835 13.984 3.354 107 H LEU 16 H LEU 16 -4.601 11.391 -0.324 108 HA LEU 16 HA LEU 16 -3.637 12.780 -1.890 109 1HB LEU 16 2HB LEU 16 -1.122 11.292 -1.218 110 2HB LEU 16 1HB LEU 16 -1.230 12.269 -2.668 111 HG LEU 16 HG LEU 16 -1.219 13.140 0.196 112 1HD1 LEU 16 1HD1 LEU 16 0.089 14.921 -1.538 113 2HD1 LEU 16 2HD1 LEU 16 0.810 13.791 -0.391 114 3HD1 LEU 16 3HD1 LEU 16 0.525 13.293 -2.059 115 1HD2 LEU 16 1HD2 LEU 16 -2.237 15.167 -0.205 116 2HD2 LEU 16 2HD2 LEU 16 -2.019 15.053 -1.952 117 3HD2 LEU 16 3HD2 LEU 16 -3.243 14.069 -1.150 118 H GLY 17 H GLY 17 -4.431 9.691 -1.806 119 1HA GLY 17 1HA GLY 17 -5.601 8.649 -3.531 120 2HA GLY 17 2HA GLY 17 -4.841 9.739 -4.677 121 H ARG 18 H ARG 18 -3.130 7.746 -2.312 122 HA ARG 18 HA ARG 18 -1.890 6.313 -4.542 123 1HB ARG 18 2HB ARG 18 -0.992 5.244 -2.045 124 2HB ARG 18 1HB ARG 18 -0.090 6.159 -3.234 125 1HG ARG 18 2HG ARG 18 -1.327 8.186 -2.049 126 2HG ARG 18 1HG ARG 18 -1.294 7.045 -0.699 127 1HD ARG 18 2HD ARG 18 1.162 6.729 -1.206 128 2HD ARG 18 1HD ARG 18 1.028 8.124 -2.277 129 HE ARG 18 HE ARG 18 0.425 8.235 0.603 130 1HH1 ARG 18 2HH1 ARG 18 1.922 9.539 -2.281 131 2HH1 ARG 18 1HH1 ARG 18 2.410 11.027 -1.519 132 1HH2 ARG 18 2HH2 ARG 18 1.077 10.175 1.625 133 2HH2 ARG 18 1HH2 ARG 18 1.936 11.386 0.714 134 H THR 19 H THR 19 -3.567 5.092 -5.280 135 HA THR 19 HA THR 19 -5.171 3.427 -3.639 136 HB THR 19 HB THR 19 -4.772 2.615 -6.449 137 HG1 THR 19 1HG THR 19 -5.922 4.496 -7.189 138 1HG2 THR 19 1HG2 THR 19 -7.138 3.247 -4.690 139 2HG2 THR 19 2HG2 THR 19 -6.585 1.659 -5.223 140 3HG2 THR 19 3HG2 THR 19 -7.280 2.786 -6.389 141 H TYR 20 H TYR 20 -4.224 1.883 -2.448 142 HA TYR 20 HA TYR 20 -2.182 0.247 -3.766 143 1HB TYR 20 2HB TYR 20 -1.199 -0.200 -1.603 144 2HB TYR 20 1HB TYR 20 -1.314 1.531 -1.855 145 HD1 TYR 20 1HD TYR 20 -2.903 2.881 -0.525 146 HD2 TYR 20 2HD TYR 20 -2.427 -1.299 0.137 147 HE1 TYR 20 1HE TYR 20 -4.011 3.105 1.653 148 HE2 TYR 20 2HE TYR 20 -3.540 -1.086 2.311 149 HH TYR 20 HH TYR 20 -4.879 2.026 3.403 150 H TYR 21 H TYR 21 -2.001 -1.958 -2.754 151 HA TYR 21 HA TYR 21 -4.694 -3.080 -2.414 152 1HB TYR 21 2HB TYR 21 -2.475 -4.083 -4.213 153 2HB TYR 21 1HB TYR 21 -3.892 -5.036 -3.790 154 HD1 TYR 21 1HD TYR 21 -2.591 -2.383 -5.917 155 HD2 TYR 21 2HD TYR 21 -6.146 -4.285 -4.541 156 HE1 TYR 21 1HE TYR 21 -3.846 -1.381 -7.772 157 HE2 TYR 21 2HE TYR 21 -7.399 -3.287 -6.399 158 HH TYR 21 HH TYR 21 -7.253 -1.377 -7.904 159 H VAL 22 H VAL 22 -4.821 -4.122 -0.571 160 HA VAL 22 HA VAL 22 -2.321 -5.069 0.638 161 HB VAL 22 HB VAL 22 -3.290 -3.422 2.049 162 1HG1 VAL 22 1HG1 VAL 22 -5.775 -4.471 2.862 163 2HG1 VAL 22 2HG1 VAL 22 -5.458 -2.970 1.990 164 3HG1 VAL 22 3HG1 VAL 22 -5.768 -4.461 1.098 165 1HG2 VAL 22 1HG2 VAL 22 -2.381 -5.253 3.289 166 2HG2 VAL 22 2HG2 VAL 22 -3.862 -4.730 4.094 167 3HG2 VAL 22 3HG2 VAL 22 -3.868 -6.186 3.099 168 H ASN 23 H ASN 23 -2.014 -7.137 0.359 169 HA ASN 23 HA ASN 23 -4.079 -9.061 0.018 170 1HB ASN 23 2HB ASN 23 -1.730 -9.357 -0.793 171 2HB ASN 23 1HB ASN 23 -1.213 -9.531 0.880 172 1HD2 ASN 23 1HD2 ASN 23 -0.609 -11.506 -0.794 173 2HD2 ASN 23 2HD2 ASN 23 -1.586 -12.907 -0.508 174 H HIS 24 H HIS 24 -5.421 -9.727 1.569 175 HA HIS 24 HA HIS 24 -5.044 -8.973 4.280 176 1HB HIS 24 2HB HIS 24 -7.112 -10.407 2.728 177 2HB HIS 24 1HB HIS 24 -7.067 -10.736 4.458 178 HD1 HIS 24 1HD HIS 24 -9.334 -9.523 4.770 179 HD2 HIS 24 2HD HIS 24 -6.278 -7.119 3.293 180 HE1 HIS 24 1HE HIS 24 -10.163 -7.161 4.999 181 HE2 HIS 24 2HE HIS 24 -8.407 -5.746 3.874 182 H ASN 25 H ASN 25 -3.789 -11.554 2.561 183 HA ASN 25 HA ASN 25 -3.918 -13.594 4.530 184 1HB ASN 25 2HB ASN 25 -2.885 -13.280 1.888 185 2HB ASN 25 1HB ASN 25 -1.611 -13.942 2.905 186 1HD2 ASN 25 1HD2 ASN 25 -4.733 -14.443 1.536 187 2HD2 ASN 25 2HD2 ASN 25 -4.841 -16.131 1.878 188 H ASN 26 H ASN 26 -1.080 -11.734 3.413 189 HA ASN 26 HA ASN 26 0.062 -12.058 6.109 190 1HB ASN 26 2HB ASN 26 1.156 -12.949 3.818 191 2HB ASN 26 1HB ASN 26 1.823 -11.320 3.834 192 1HD2 ASN 26 1HD2 ASN 26 1.499 -14.262 5.762 193 2HD2 ASN 26 2HD2 ASN 26 2.983 -14.053 6.643 194 H ARG 27 H ARG 27 -1.642 -9.928 4.600 195 HA ARG 27 HA ARG 27 -1.948 -7.700 4.559 196 1HB ARG 27 2HB ARG 27 -0.023 -7.691 6.888 197 2HB ARG 27 1HB ARG 27 -1.098 -6.378 6.423 198 1HG ARG 27 2HG ARG 27 -2.649 -8.738 6.727 199 2HG ARG 27 1HG ARG 27 -1.626 -8.540 8.151 200 1HD ARG 27 2HD ARG 27 -2.769 -6.751 8.862 201 2HD ARG 27 1HD ARG 27 -2.848 -6.051 7.245 202 HE ARG 27 HE ARG 27 -4.606 -8.305 7.744 203 1HH1 ARG 27 2HH1 ARG 27 -4.255 -4.815 7.691 204 2HH1 ARG 27 1HH1 ARG 27 -5.971 -4.527 7.583 205 1HH2 ARG 27 2HH2 ARG 27 -6.829 -7.939 7.570 206 2HH2 ARG 27 1HH2 ARG 27 -7.440 -6.308 7.476 207 H SER 28 H SER 28 -0.337 -8.419 2.606 208 HA SER 28 HA SER 28 2.059 -6.835 2.526 209 1HB SER 28 2HB SER 28 0.865 -7.697 -0.030 210 2HB SER 28 1HB SER 28 2.487 -7.973 0.607 211 HG SER 28 HG SER 28 1.870 -9.884 1.185 212 H THR 29 H THR 29 1.923 -4.673 2.457 213 HA THR 29 HA THR 29 -0.417 -3.467 1.149 214 HB THR 29 HB THR 29 0.645 -1.385 2.467 215 HG1 THR 29 1HG THR 29 2.241 -3.201 3.275 216 1HG2 THR 29 1HG2 THR 29 -0.778 -2.481 4.500 217 2HG2 THR 29 2HG2 THR 29 -1.355 -3.437 3.134 218 3HG2 THR 29 3HG2 THR 29 -1.497 -1.678 3.103 219 H GLN 30 H GLN 30 0.511 -3.680 -0.934 220 HA GLN 30 HA GLN 30 2.743 -1.850 -1.510 221 1HB GLN 30 2HB GLN 30 2.652 -3.074 -3.795 222 2HB GLN 30 1HB GLN 30 3.365 -3.914 -2.426 223 1HG GLN 30 2HG GLN 30 2.021 -5.595 -2.957 224 2HG GLN 30 1HG GLN 30 0.718 -4.626 -2.283 225 1HE2 GLN 30 1HE2 GLN 30 1.678 -6.320 -4.880 226 2HE2 GLN 30 2HE2 GLN 30 0.638 -5.632 -6.074 227 H TRP 31 H TRP 31 2.508 -0.300 -3.177 228 HA TRP 31 HA TRP 31 -0.258 0.087 -4.074 229 1HB TRP 31 2HB TRP 31 1.272 2.431 -4.612 230 2HB TRP 31 1HB TRP 31 -0.088 2.238 -3.528 231 HD1 TRP 31 HD TRP 31 3.694 1.444 -3.269 232 HE1 TRP 31 1HE TRP 31 4.524 2.231 -0.963 233 HE3 TRP 31 3HE TRP 31 -0.688 3.303 -1.444 234 HZ2 TRP 31 2HZ TRP 31 3.455 3.495 1.315 235 HZ3 TRP 31 3HZ TRP 31 -0.700 4.284 0.805 236 HH2 TRP 31 HH TRP 31 1.325 4.383 2.153 237 H HIS 32 H HIS 32 1.906 -1.650 -5.239 238 HA HIS 32 HA HIS 32 2.169 -0.250 -7.825 239 1HB HIS 32 2HB HIS 32 4.046 -1.766 -8.350 240 2HB HIS 32 1HB HIS 32 4.352 -0.779 -6.933 241 HD1 HIS 32 1HD HIS 32 2.713 -4.217 -7.294 242 HD2 HIS 32 2HD HIS 32 5.822 -2.313 -5.301 243 HE1 HIS 32 1HE HIS 32 3.699 -5.947 -5.762 244 HE2 HIS 32 2HE HIS 32 5.744 -4.851 -4.795 245 H ARG 33 H ARG 33 0.210 -2.287 -6.393 246 HA ARG 33 HA ARG 33 -1.415 -3.678 -7.088 247 1HB ARG 33 2HB ARG 33 -1.251 -2.077 -9.162 248 2HB ARG 33 1HB ARG 33 -0.589 -3.505 -9.950 249 1HG ARG 33 2HG ARG 33 -2.675 -4.703 -9.003 250 2HG ARG 33 1HG ARG 33 -3.319 -3.071 -8.816 251 1HD ARG 33 2HD ARG 33 -3.872 -3.045 -10.946 252 2HD ARG 33 1HD ARG 33 -2.182 -3.267 -11.395 253 HE ARG 33 HE ARG 33 -3.563 -5.694 -10.653 254 1HH1 ARG 33 2HH1 ARG 33 -2.713 -3.554 -13.299 255 2HH1 ARG 33 1HH1 ARG 33 -2.928 -4.774 -14.508 256 1HH2 ARG 33 2HH2 ARG 33 -3.860 -7.282 -12.237 257 2HH2 ARG 33 1HH2 ARG 33 -3.610 -6.884 -13.914 258 HA PRO 34 HA PRO 34 0.777 -7.525 -7.310 259 1HB PRO 34 2HB PRO 34 -1.391 -9.141 -7.026 260 2HB PRO 34 1HB PRO 34 -0.622 -8.304 -5.674 261 1HG PRO 34 2HG PRO 34 -3.114 -7.626 -7.152 262 2HG PRO 34 1HG PRO 34 -2.743 -7.444 -5.433 263 1HD PRO 34 2HD PRO 34 -2.704 -5.389 -7.247 264 2HD PRO 34 1HD PRO 34 -1.775 -5.408 -5.736 265 H SER 35 H SER 35 1.459 -8.460 -9.105 266 HA SER 35 HA SER 35 -0.484 -9.330 -11.105 267 1HB SER 35 2HB SER 35 2.040 -7.825 -11.828 268 2HB SER 35 1HB SER 35 0.818 -8.431 -12.946 269 HG SER 35 HG SER 35 -0.412 -6.927 -11.141 270 H LEU 36 H LEU 36 1.157 -10.565 -9.008 271 HA LEU 36 HA LEU 36 2.747 -12.385 -10.687 272 1HB LEU 36 2HB LEU 36 3.374 -11.956 -7.791 273 2HB LEU 36 1HB LEU 36 4.413 -12.563 -9.065 274 HG LEU 36 HG LEU 36 3.846 -9.948 -9.839 275 1HD1 LEU 36 1HD1 LEU 36 3.995 -10.203 -6.872 276 2HD1 LEU 36 2HD1 LEU 36 4.756 -8.819 -7.659 277 3HD1 LEU 36 3HD1 LEU 36 3.028 -9.109 -7.863 278 1HD2 LEU 36 1HD2 LEU 36 6.258 -10.952 -8.329 279 2HD2 LEU 36 2HD2 LEU 36 5.967 -11.210 -10.049 280 3HD2 LEU 36 3HD2 LEU 36 6.193 -9.574 -9.428 Start of MODEL 17 1 1H GLY 1 1H GLY 1 -3.148 -19.609 -16.538 2 2H GLY 1 2H GLY 1 -3.410 -18.005 -17.013 3 3H GLY 1 3H GLY 1 -3.965 -19.276 -17.988 4 1HA GLY 1 2HA GLY 1 -5.822 -18.363 -16.823 5 2HA GLY 1 1HA GLY 1 -5.478 -19.971 -16.202 6 H SER 2 H SER 2 -4.238 -16.678 -15.605 7 HA SER 2 HA SER 2 -4.363 -17.283 -12.729 8 1HB SER 2 2HB SER 2 -2.858 -14.923 -13.233 9 2HB SER 2 1HB SER 2 -2.265 -16.487 -12.670 10 HG SER 2 HG SER 2 -1.467 -16.844 -14.582 11 HA PRO 3 HA PRO 3 -7.679 -14.250 -12.517 12 1HB PRO 3 2HB PRO 3 -7.617 -14.070 -9.761 13 2HB PRO 3 1HB PRO 3 -8.534 -15.275 -10.667 14 1HG PRO 3 2HG PRO 3 -5.897 -15.529 -9.300 15 2HG PRO 3 1HG PRO 3 -7.214 -16.707 -9.436 16 1HD PRO 3 2HD PRO 3 -4.965 -16.853 -10.933 17 2HD PRO 3 1HD PRO 3 -6.544 -17.403 -11.526 18 HA PRO 4 HA PRO 4 -5.132 -10.623 -12.549 19 1HB PRO 4 2HB PRO 4 -7.717 -9.272 -11.967 20 2HB PRO 4 1HB PRO 4 -6.549 -8.967 -13.259 21 1HG PRO 4 2HG PRO 4 -8.831 -10.223 -13.780 22 2HG PRO 4 1HG PRO 4 -7.320 -10.734 -14.554 23 1HD PRO 4 2HD PRO 4 -8.802 -11.981 -12.278 24 2HD PRO 4 1HD PRO 4 -7.944 -12.756 -13.626 25 H LEU 5 H LEU 5 -7.513 -11.117 -9.984 26 HA LEU 5 HA LEU 5 -5.547 -10.099 -8.087 27 1HB LEU 5 2HB LEU 5 -7.475 -8.426 -8.756 28 2HB LEU 5 1HB LEU 5 -8.408 -9.399 -7.630 29 HG LEU 5 HG LEU 5 -6.814 -8.907 -5.847 30 1HD1 LEU 5 1HD1 LEU 5 -5.097 -8.324 -7.957 31 2HD1 LEU 5 2HD1 LEU 5 -5.383 -6.778 -7.156 32 3HD1 LEU 5 3HD1 LEU 5 -4.764 -8.147 -6.231 33 1HD2 LEU 5 1HD2 LEU 5 -7.834 -6.972 -5.353 34 2HD2 LEU 5 2HD2 LEU 5 -7.235 -6.178 -6.808 35 3HD2 LEU 5 3HD2 LEU 5 -8.675 -7.192 -6.887 36 HA PRO 6 HA PRO 6 -6.776 -14.058 -6.358 37 1HB PRO 6 2HB PRO 6 -4.802 -13.280 -4.305 38 2HB PRO 6 1HB PRO 6 -4.853 -14.719 -5.327 39 1HG PRO 6 2HG PRO 6 -3.052 -12.792 -5.749 40 2HG PRO 6 1HG PRO 6 -3.807 -13.658 -7.101 41 1HD PRO 6 2HD PRO 6 -4.438 -10.936 -6.005 42 2HD PRO 6 1HD PRO 6 -4.309 -11.464 -7.697 43 HA PRO 7 HA PRO 7 -9.615 -12.931 -3.179 44 1HB PRO 7 2HB PRO 7 -8.996 -15.479 -1.822 45 2HB PRO 7 1HB PRO 7 -10.519 -14.924 -2.522 46 1HG PRO 7 2HG PRO 7 -9.073 -16.854 -3.685 47 2HG PRO 7 1HG PRO 7 -9.960 -15.655 -4.648 48 1HD PRO 7 2HD PRO 7 -7.040 -15.772 -3.986 49 2HD PRO 7 1HD PRO 7 -7.826 -15.366 -5.525 50 H GLY 8 H GLY 8 -9.237 -11.517 -1.602 51 1HA GLY 8 1HA GLY 8 -8.550 -11.239 0.743 52 2HA GLY 8 2HA GLY 8 -7.074 -12.108 0.330 53 H TRP 9 H TRP 9 -7.327 -10.442 -2.327 54 HA TRP 9 HA TRP 9 -5.649 -8.289 -1.342 55 1HB TRP 9 2HB TRP 9 -6.313 -9.343 -4.079 56 2HB TRP 9 1HB TRP 9 -5.475 -7.808 -3.870 57 HD1 TRP 9 HD TRP 9 -4.967 -11.576 -3.474 58 HE1 TRP 9 1HE TRP 9 -2.448 -12.048 -3.154 59 HE3 TRP 9 3HE TRP 9 -3.312 -6.759 -3.020 60 HZ2 TRP 9 2HZ TRP 9 -0.073 -10.533 -2.755 61 HZ3 TRP 9 3HZ TRP 9 -0.925 -6.372 -2.674 62 HH2 TRP 9 HH TRP 9 0.668 -8.209 -2.544 63 H GLU 10 H GLU 10 -6.450 -6.414 -0.779 64 HA GLU 10 HA GLU 10 -9.088 -5.630 -1.832 65 1HB GLU 10 2HB GLU 10 -8.853 -6.140 0.633 66 2HB GLU 10 1HB GLU 10 -7.801 -4.738 0.750 67 1HG GLU 10 2HG GLU 10 -9.797 -3.459 -0.281 68 2HG GLU 10 1HG GLU 10 -10.736 -4.862 0.227 69 H GLU 11 H GLU 11 -9.365 -3.669 -2.747 70 HA GLU 11 HA GLU 11 -7.027 -2.069 -3.365 71 1HB GLU 11 2HB GLU 11 -9.173 -2.685 -4.827 72 2HB GLU 11 1HB GLU 11 -9.780 -1.207 -4.100 73 1HG GLU 11 2HG GLU 11 -8.190 0.111 -5.137 74 2HG GLU 11 1HG GLU 11 -7.120 -1.255 -5.447 75 H LYS 12 H LYS 12 -6.351 -0.701 -1.846 76 HA LYS 12 HA LYS 12 -8.347 1.007 -0.523 77 1HB LYS 12 2HB LYS 12 -6.489 -0.888 0.704 78 2HB LYS 12 1HB LYS 12 -6.340 0.738 1.356 79 1HG LYS 12 2HG LYS 12 -8.981 0.528 1.465 80 2HG LYS 12 1HG LYS 12 -8.580 -1.189 1.547 81 1HD LYS 12 2HD LYS 12 -6.800 -0.126 3.311 82 2HD LYS 12 1HD LYS 12 -8.190 0.938 3.530 83 1HE LYS 12 2HE LYS 12 -8.155 -2.067 3.762 84 2HE LYS 12 1HE LYS 12 -8.328 -0.912 5.082 85 1HZ LYS 12 1HZ LYS 12 -10.502 -1.320 4.754 86 2HZ LYS 12 2HZ LYS 12 -10.291 -1.838 3.153 87 3HZ LYS 12 3HZ LYS 12 -10.349 -0.180 3.508 88 H VAL 13 H VAL 13 -7.857 3.144 -0.750 89 HA VAL 13 HA VAL 13 -5.237 3.929 -1.680 90 HB VAL 13 HB VAL 13 -6.188 6.297 -0.965 91 1HG1 VAL 13 1HG1 VAL 13 -6.232 4.769 -3.369 92 2HG1 VAL 13 2HG1 VAL 13 -7.652 5.812 -3.300 93 3HG1 VAL 13 3HG1 VAL 13 -6.038 6.509 -3.139 94 1HG2 VAL 13 1HG2 VAL 13 -8.241 4.934 -0.019 95 2HG2 VAL 13 2HG2 VAL 13 -8.404 6.551 -0.702 96 3HG2 VAL 13 3HG2 VAL 13 -8.807 5.140 -1.678 97 H ASP 14 H ASP 14 -3.605 4.814 -0.499 98 HA ASP 14 HA ASP 14 -3.705 4.829 2.348 99 1HB ASP 14 2HB ASP 14 -1.648 4.804 0.651 100 2HB ASP 14 1HB ASP 14 -1.745 6.546 0.894 101 H ASN 15 H ASN 15 -3.209 6.953 3.549 102 HA ASN 15 HA ASN 15 -5.454 8.615 3.312 103 1HB ASN 15 2HB ASN 15 -4.759 9.100 5.378 104 2HB ASN 15 1HB ASN 15 -3.200 8.357 5.060 105 1HD2 ASN 15 1HD2 ASN 15 -1.442 9.618 4.771 106 2HD2 ASN 15 2HD2 ASN 15 -1.463 11.352 4.868 107 H LEU 16 H LEU 16 -2.474 8.690 1.636 108 HA LEU 16 HA LEU 16 -2.742 11.487 0.884 109 1HB LEU 16 2HB LEU 16 -0.640 9.485 0.068 110 2HB LEU 16 1HB LEU 16 -0.585 11.218 -0.195 111 HG LEU 16 HG LEU 16 -0.896 10.420 2.620 112 1HD1 LEU 16 1HD1 LEU 16 1.885 10.173 1.761 113 2HD1 LEU 16 2HD1 LEU 16 0.966 9.228 2.933 114 3HD1 LEU 16 3HD1 LEU 16 0.841 8.861 1.211 115 1HD2 LEU 16 1HD2 LEU 16 0.080 12.404 2.974 116 2HD2 LEU 16 2HD2 LEU 16 1.345 12.103 1.783 117 3HD2 LEU 16 3HD2 LEU 16 -0.233 12.694 1.263 118 H GLY 17 H GLY 17 -4.258 8.797 -0.169 119 1HA GLY 17 1HA GLY 17 -5.540 8.576 -2.085 120 2HA GLY 17 2HA GLY 17 -4.745 9.992 -2.754 121 H ARG 18 H ARG 18 -3.430 6.898 -1.599 122 HA ARG 18 HA ARG 18 -2.470 6.405 -4.345 123 1HB ARG 18 2HB ARG 18 -0.901 5.004 -2.313 124 2HB ARG 18 1HB ARG 18 -0.359 5.959 -3.681 125 1HG ARG 18 2HG ARG 18 -0.979 7.995 -2.216 126 2HG ARG 18 1HG ARG 18 -0.933 6.837 -0.885 127 1HD ARG 18 2HD ARG 18 1.265 7.171 -0.801 128 2HD ARG 18 1HD ARG 18 1.375 6.317 -2.340 129 HE ARG 18 HE ARG 18 1.007 8.640 -3.337 130 1HH1 ARG 18 2HH1 ARG 18 2.751 8.018 -0.355 131 2HH1 ARG 18 1HH1 ARG 18 3.692 9.478 -0.454 132 1HH2 ARG 18 2HH2 ARG 18 2.240 10.542 -3.467 133 2HH2 ARG 18 1HH2 ARG 18 3.398 10.919 -2.228 134 H THR 19 H THR 19 -4.013 5.045 -5.007 135 HA THR 19 HA THR 19 -5.277 3.115 -3.414 136 HB THR 19 HB THR 19 -5.156 2.446 -6.255 137 HG1 THR 19 1HG THR 19 -6.600 4.711 -6.163 138 1HG2 THR 19 1HG2 THR 19 -7.015 1.561 -5.280 139 2HG2 THR 19 2HG2 THR 19 -7.708 3.103 -5.785 140 3HG2 THR 19 3HG2 THR 19 -7.171 2.880 -4.119 141 H TYR 20 H TYR 20 -3.975 1.702 -2.365 142 HA TYR 20 HA TYR 20 -2.151 0.133 -4.024 143 1HB TYR 20 2HB TYR 20 -1.049 -0.575 -1.932 144 2HB TYR 20 1HB TYR 20 -1.002 1.167 -2.145 145 HD1 TYR 20 1HD TYR 20 -2.004 2.619 -0.551 146 HD2 TYR 20 2HD TYR 20 -2.627 -1.578 -0.290 147 HE1 TYR 20 1HE TYR 20 -2.982 2.914 1.681 148 HE2 TYR 20 2HE TYR 20 -3.614 -1.294 1.937 149 HH TYR 20 HH TYR 20 -3.701 1.881 3.526 150 H TYR 21 H TYR 21 -1.872 -2.148 -3.085 151 HA TYR 21 HA TYR 21 -4.577 -3.258 -2.811 152 1HB TYR 21 2HB TYR 21 -2.215 -4.231 -4.428 153 2HB TYR 21 1HB TYR 21 -3.538 -5.297 -3.989 154 HD1 TYR 21 1HD TYR 21 -4.275 -5.747 -6.215 155 HD2 TYR 21 2HD TYR 21 -4.007 -1.732 -4.847 156 HE1 TYR 21 1HE TYR 21 -5.639 -5.011 -8.118 157 HE2 TYR 21 2HE TYR 21 -5.360 -0.987 -6.753 158 HH TYR 21 HH TYR 21 -6.906 -1.787 -8.332 159 H VAL 22 H VAL 22 -4.804 -3.912 -0.807 160 HA VAL 22 HA VAL 22 -2.450 -4.811 0.670 161 HB VAL 22 HB VAL 22 -3.625 -3.180 1.899 162 1HG1 VAL 22 1HG1 VAL 22 -5.973 -4.370 0.714 163 2HG1 VAL 22 2HG1 VAL 22 -6.182 -4.074 2.440 164 3HG1 VAL 22 3HG1 VAL 22 -5.734 -2.748 1.365 165 1HG2 VAL 22 1HG2 VAL 22 -4.747 -5.644 3.164 166 2HG2 VAL 22 2HG2 VAL 22 -3.002 -5.406 3.058 167 3HG2 VAL 22 3HG2 VAL 22 -4.002 -4.236 3.923 168 H ASN 23 H ASN 23 -2.018 -6.867 0.546 169 HA ASN 23 HA ASN 23 -3.950 -8.906 0.093 170 1HB ASN 23 2HB ASN 23 -1.647 -9.306 -0.539 171 2HB ASN 23 1HB ASN 23 -1.100 -9.019 1.110 172 1HD2 ASN 23 1HD2 ASN 23 -2.693 -11.250 -1.036 173 2HD2 ASN 23 2HD2 ASN 23 -2.603 -12.623 0.012 174 H HIS 24 H HIS 24 -5.442 -9.507 1.593 175 HA HIS 24 HA HIS 24 -5.239 -8.523 4.269 176 1HB HIS 24 2HB HIS 24 -7.273 -9.904 2.643 177 2HB HIS 24 1HB HIS 24 -7.379 -10.175 4.381 178 HD1 HIS 24 1HD HIS 24 -9.456 -8.788 4.771 179 HD2 HIS 24 2HD HIS 24 -6.392 -6.686 2.909 180 HE1 HIS 24 1HE HIS 24 -10.184 -6.380 4.785 181 HE2 HIS 24 2HE HIS 24 -8.438 -5.169 3.425 182 H ASN 25 H ASN 25 -3.571 -10.988 3.105 183 HA ASN 25 HA ASN 25 -4.155 -12.819 5.327 184 1HB ASN 25 2HB ASN 25 -3.474 -13.206 2.567 185 2HB ASN 25 1HB ASN 25 -2.226 -13.941 3.572 186 1HD2 ASN 25 1HD2 ASN 25 -5.253 -14.286 2.225 187 2HD2 ASN 25 2HD2 ASN 25 -5.795 -15.669 3.110 188 H ASN 26 H ASN 26 -1.288 -11.706 3.530 189 HA ASN 26 HA ASN 26 0.350 -11.887 5.936 190 1HB ASN 26 2HB ASN 26 1.237 -12.708 3.785 191 2HB ASN 26 1HB ASN 26 1.068 -11.096 3.100 192 1HD2 ASN 26 1HD2 ASN 26 2.822 -9.890 3.105 193 2HD2 ASN 26 2HD2 ASN 26 4.182 -10.081 4.158 194 H ARG 27 H ARG 27 -1.547 -9.670 4.333 195 HA ARG 27 HA ARG 27 -2.008 -7.489 4.502 196 1HB ARG 27 2HB ARG 27 -0.293 -7.496 6.988 197 2HB ARG 27 1HB ARG 27 -1.466 -6.269 6.515 198 1HG ARG 27 2HG ARG 27 -3.118 -8.307 6.511 199 2HG ARG 27 1HG ARG 27 -1.914 -8.994 7.602 200 1HD ARG 27 2HD ARG 27 -3.874 -7.657 8.610 201 2HD ARG 27 1HD ARG 27 -2.247 -7.350 9.207 202 HE ARG 27 HE ARG 27 -2.267 -5.261 8.177 203 1HH1 ARG 27 2HH1 ARG 27 -5.196 -7.045 7.467 204 2HH1 ARG 27 1HH1 ARG 27 -6.080 -5.638 6.943 205 1HH2 ARG 27 2HH2 ARG 27 -3.426 -3.401 7.486 206 2HH2 ARG 27 1HH2 ARG 27 -5.067 -3.573 6.940 207 H SER 28 H SER 28 -0.097 -8.119 2.724 208 HA SER 28 HA SER 28 1.995 -6.129 2.890 209 1HB SER 28 2HB SER 28 1.427 -7.405 0.289 210 2HB SER 28 1HB SER 28 2.950 -7.281 1.174 211 HG SER 28 HG SER 28 2.291 -9.443 1.115 212 H THR 29 H THR 29 1.822 -4.092 2.144 213 HA THR 29 HA THR 29 -0.669 -3.384 0.723 214 HB THR 29 HB THR 29 -0.290 -1.088 1.781 215 HG1 THR 29 1HG THR 29 1.750 -2.598 2.993 216 1HG2 THR 29 1HG2 THR 29 -0.892 -3.491 3.502 217 2HG2 THR 29 2HG2 THR 29 -2.043 -2.486 2.620 218 3HG2 THR 29 3HG2 THR 29 -1.176 -1.824 4.006 219 H GLN 30 H GLN 30 0.516 -3.817 -1.290 220 HA GLN 30 HA GLN 30 2.551 -1.787 -1.887 221 1HB GLN 30 2HB GLN 30 3.162 -3.294 -3.816 222 2HB GLN 30 1HB GLN 30 3.520 -3.903 -2.209 223 1HG GLN 30 2HG GLN 30 1.609 -5.379 -2.309 224 2HG GLN 30 1HG GLN 30 1.124 -4.698 -3.854 225 1HE2 GLN 30 1HE2 GLN 30 1.495 -6.115 -5.355 226 2HE2 GLN 30 2HE2 GLN 30 2.902 -7.079 -5.509 227 H TRP 31 H TRP 31 2.254 -0.301 -3.426 228 HA TRP 31 HA TRP 31 -0.425 -0.136 -4.542 229 1HB TRP 31 2HB TRP 31 1.118 2.105 -5.365 230 2HB TRP 31 1HB TRP 31 -0.175 2.061 -4.177 231 HD1 TRP 31 HD TRP 31 3.624 1.363 -4.249 232 HE1 TRP 31 1HE TRP 31 4.657 2.175 -2.040 233 HE3 TRP 31 3HE TRP 31 -0.618 3.032 -1.957 234 HZ2 TRP 31 2HZ TRP 31 3.791 3.383 0.338 235 HZ3 TRP 31 3HZ TRP 31 -0.422 4.014 0.285 236 HH2 TRP 31 HH TRP 31 1.733 4.189 1.406 237 H HIS 32 H HIS 32 1.671 -1.990 -5.655 238 HA HIS 32 HA HIS 32 1.467 -0.986 -8.412 239 1HB HIS 32 2HB HIS 32 3.480 -2.701 -8.757 240 2HB HIS 32 1HB HIS 32 3.745 -1.020 -8.324 241 HD1 HIS 32 1HD HIS 32 4.296 -4.469 -7.191 242 HD2 HIS 32 2HD HIS 32 4.516 -0.635 -5.589 243 HE1 HIS 32 1HE HIS 32 5.591 -4.699 -5.047 244 HE2 HIS 32 2HE HIS 32 5.908 -2.330 -4.223 245 H ARG 33 H ARG 33 0.014 -2.973 -6.448 246 HA ARG 33 HA ARG 33 -1.330 -4.794 -6.670 247 1HB ARG 33 2HB ARG 33 -0.675 -4.463 -9.605 248 2HB ARG 33 1HB ARG 33 -1.853 -5.611 -8.978 249 1HG ARG 33 2HG ARG 33 -3.411 -4.045 -8.912 250 2HG ARG 33 1HG ARG 33 -2.392 -3.016 -7.909 251 1HD ARG 33 2HD ARG 33 -1.396 -2.923 -10.559 252 2HD ARG 33 1HD ARG 33 -3.141 -2.676 -10.622 253 HE ARG 33 HE ARG 33 -2.755 -0.886 -8.904 254 1HH1 ARG 33 2HH1 ARG 33 -0.294 -1.760 -11.245 255 2HH1 ARG 33 1HH1 ARG 33 0.567 -0.252 -11.083 256 1HH2 ARG 33 2HH2 ARG 33 -1.664 1.070 -8.705 257 2HH2 ARG 33 1HH2 ARG 33 -0.216 1.363 -9.619 258 HA PRO 34 HA PRO 34 1.431 -8.196 -6.408 259 1HB PRO 34 2HB PRO 34 -0.267 -10.300 -6.441 260 2HB PRO 34 1HB PRO 34 -0.122 -9.194 -5.074 261 1HG PRO 34 2HG PRO 34 -2.222 -9.347 -7.161 262 2HG PRO 34 1HG PRO 34 -2.362 -8.906 -5.459 263 1HD PRO 34 2HD PRO 34 -2.314 -7.122 -7.581 264 2HD PRO 34 1HD PRO 34 -1.969 -6.715 -5.890 265 H SER 35 H SER 35 0.297 -7.378 -9.253 266 HA SER 35 HA SER 35 0.699 -9.773 -10.770 267 1HB SER 35 2HB SER 35 0.964 -7.203 -12.170 268 2HB SER 35 1HB SER 35 -0.136 -8.548 -12.479 269 HG SER 35 HG SER 35 -1.627 -7.463 -11.492 270 H LEU 36 H LEU 36 2.701 -10.632 -10.633 271 HA LEU 36 HA LEU 36 4.962 -8.968 -11.456 272 1HB LEU 36 2HB LEU 36 4.556 -9.675 -8.817 273 2HB LEU 36 1HB LEU 36 5.639 -10.925 -9.389 274 HG LEU 36 HG LEU 36 7.413 -9.512 -9.578 275 1HD1 LEU 36 1HD1 LEU 36 6.210 -8.101 -11.282 276 2HD1 LEU 36 2HD1 LEU 36 5.652 -7.101 -9.941 277 3HD1 LEU 36 3HD1 LEU 36 7.378 -7.253 -10.269 278 1HD2 LEU 36 1HD2 LEU 36 7.535 -8.068 -7.709 279 2HD2 LEU 36 2HD2 LEU 36 5.792 -7.804 -7.706 280 3HD2 LEU 36 3HD2 LEU 36 6.445 -9.377 -7.250 Start of MODEL 18 1 1H GLY 1 1H GLY 1 -18.177 -7.446 -14.454 2 2H GLY 1 2H GLY 1 -16.538 -7.048 -14.280 3 3H GLY 1 3H GLY 1 -17.314 -7.975 -13.090 4 1HA GLY 1 2HA GLY 1 -17.726 -9.685 -14.876 5 2HA GLY 1 1HA GLY 1 -16.578 -8.771 -15.843 6 H SER 2 H SER 2 -14.684 -9.751 -15.861 7 HA SER 2 HA SER 2 -13.835 -11.710 -14.072 8 1HB SER 2 2HB SER 2 -11.583 -10.397 -15.277 9 2HB SER 2 1HB SER 2 -12.294 -11.962 -15.676 10 HG SER 2 HG SER 2 -12.437 -10.663 -17.487 11 HA PRO 3 HA PRO 3 -12.186 -9.118 -10.822 12 1HB PRO 3 2HB PRO 3 -11.664 -11.103 -9.079 13 2HB PRO 3 1HB PRO 3 -13.307 -10.556 -9.419 14 1HG PRO 3 2HG PRO 3 -11.945 -13.038 -10.249 15 2HG PRO 3 1HG PRO 3 -13.673 -12.716 -10.051 16 1HD PRO 3 2HD PRO 3 -12.164 -12.754 -12.476 17 2HD PRO 3 1HD PRO 3 -13.881 -12.361 -12.273 18 HA PRO 4 HA PRO 4 -7.926 -9.881 -12.204 19 1HB PRO 4 2HB PRO 4 -7.097 -7.334 -12.068 20 2HB PRO 4 1HB PRO 4 -8.109 -7.919 -13.392 21 1HG PRO 4 2HG PRO 4 -8.861 -6.316 -10.989 22 2HG PRO 4 1HG PRO 4 -9.448 -6.186 -12.656 23 1HD PRO 4 2HD PRO 4 -10.792 -7.457 -10.603 24 2HD PRO 4 1HD PRO 4 -11.051 -7.773 -12.329 25 H LEU 5 H LEU 5 -9.157 -9.152 -9.235 26 HA LEU 5 HA LEU 5 -6.495 -9.059 -7.982 27 1HB LEU 5 2HB LEU 5 -8.516 -7.238 -7.681 28 2HB LEU 5 1HB LEU 5 -8.812 -8.316 -6.330 29 HG LEU 5 HG LEU 5 -6.523 -7.940 -5.522 30 1HD1 LEU 5 1HD1 LEU 5 -5.694 -7.391 -7.904 31 2HD1 LEU 5 2HD1 LEU 5 -6.223 -5.749 -7.541 32 3HD1 LEU 5 3HD1 LEU 5 -4.994 -6.521 -6.540 33 1HD2 LEU 5 1HD2 LEU 5 -7.616 -6.411 -4.331 34 2HD2 LEU 5 2HD2 LEU 5 -7.030 -5.218 -5.491 35 3HD2 LEU 5 3HD2 LEU 5 -8.620 -5.951 -5.707 36 HA PRO 6 HA PRO 6 -7.550 -13.143 -6.545 37 1HB PRO 6 2HB PRO 6 -5.323 -12.790 -4.657 38 2HB PRO 6 1HB PRO 6 -5.505 -13.957 -5.971 39 1HG PRO 6 2HG PRO 6 -3.758 -11.922 -6.123 40 2HG PRO 6 1HG PRO 6 -4.627 -12.519 -7.550 41 1HD PRO 6 2HD PRO 6 -5.186 -10.105 -5.861 42 2HD PRO 6 1HD PRO 6 -5.215 -10.272 -7.628 43 HA PRO 7 HA PRO 7 -9.892 -12.678 -2.832 44 1HB PRO 7 2HB PRO 7 -8.963 -15.347 -1.965 45 2HB PRO 7 1HB PRO 7 -10.599 -14.790 -2.327 46 1HG PRO 7 2HG PRO 7 -9.311 -16.449 -3.978 47 2HG PRO 7 1HG PRO 7 -10.371 -15.169 -4.598 48 1HD PRO 7 2HD PRO 7 -7.382 -15.234 -4.421 49 2HD PRO 7 1HD PRO 7 -8.418 -14.656 -5.743 50 H GLY 8 H GLY 8 -9.423 -11.571 -1.057 51 1HA GLY 8 1HA GLY 8 -8.406 -11.473 1.134 52 2HA GLY 8 2HA GLY 8 -6.996 -12.297 0.468 53 H TRP 9 H TRP 9 -7.463 -10.431 -1.973 54 HA TRP 9 HA TRP 9 -5.718 -8.333 -0.968 55 1HB TRP 9 2HB TRP 9 -6.560 -9.235 -3.710 56 2HB TRP 9 1HB TRP 9 -5.756 -7.686 -3.477 57 HD1 TRP 9 HD TRP 9 -5.094 -11.418 -3.525 58 HE1 TRP 9 1HE TRP 9 -2.551 -11.817 -3.382 59 HE3 TRP 9 3HE TRP 9 -3.592 -6.653 -2.480 60 HZ2 TRP 9 2HZ TRP 9 -0.207 -10.285 -2.872 61 HZ3 TRP 9 3HZ TRP 9 -1.206 -6.203 -2.172 62 HH2 TRP 9 HH TRP 9 0.456 -7.978 -2.363 63 H GLU 10 H GLU 10 -6.406 -6.377 -0.405 64 HA GLU 10 HA GLU 10 -9.112 -5.576 -1.248 65 1HB GLU 10 2HB GLU 10 -8.557 -5.959 1.238 66 2HB GLU 10 1HB GLU 10 -7.629 -4.471 1.127 67 1HG GLU 10 2HG GLU 10 -9.740 -3.379 0.276 68 2HG GLU 10 1HG GLU 10 -10.581 -4.845 0.770 69 H GLU 11 H GLU 11 -9.336 -3.781 -2.440 70 HA GLU 11 HA GLU 11 -6.980 -2.223 -3.107 71 1HB GLU 11 2HB GLU 11 -8.805 -2.959 -4.753 72 2HB GLU 11 1HB GLU 11 -9.794 -1.692 -4.041 73 1HG GLU 11 2HG GLU 11 -7.474 -0.366 -4.595 74 2HG GLU 11 1HG GLU 11 -7.574 -1.515 -5.924 75 H LYS 12 H LYS 12 -6.391 -0.542 -1.921 76 HA LYS 12 HA LYS 12 -8.483 0.975 -0.513 77 1HB LYS 12 2HB LYS 12 -6.145 -0.465 0.616 78 2HB LYS 12 1HB LYS 12 -6.487 1.126 1.279 79 1HG LYS 12 2HG LYS 12 -8.760 0.413 1.822 80 2HG LYS 12 1HG LYS 12 -8.410 -1.186 1.162 81 1HD LYS 12 2HD LYS 12 -8.159 -1.357 3.514 82 2HD LYS 12 1HD LYS 12 -6.528 -1.335 2.840 83 1HE LYS 12 2HE LYS 12 -6.417 0.123 4.666 84 2HE LYS 12 1HE LYS 12 -6.582 1.186 3.269 85 1HZ LYS 12 1HZ LYS 12 -9.139 0.503 4.248 86 2HZ LYS 12 2HZ LYS 12 -8.417 2.032 4.131 87 3HZ LYS 12 3HZ LYS 12 -8.191 1.090 5.528 88 H VAL 13 H VAL 13 -8.267 3.131 -0.657 89 HA VAL 13 HA VAL 13 -5.798 4.259 -1.709 90 HB VAL 13 HB VAL 13 -8.561 5.293 -1.260 91 1HG1 VAL 13 1HG1 VAL 13 -7.977 7.577 -1.284 92 2HG1 VAL 13 2HG1 VAL 13 -6.972 6.846 -0.033 93 3HG1 VAL 13 3HG1 VAL 13 -6.280 7.222 -1.611 94 1HG2 VAL 13 1HG2 VAL 13 -7.001 4.598 -3.448 95 2HG2 VAL 13 2HG2 VAL 13 -8.559 5.424 -3.480 96 3HG2 VAL 13 3HG2 VAL 13 -7.062 6.361 -3.488 97 H ASP 14 H ASP 14 -4.303 5.275 -0.464 98 HA ASP 14 HA ASP 14 -4.232 4.611 2.253 99 1HB ASP 14 2HB ASP 14 -2.145 5.801 2.368 100 2HB ASP 14 1HB ASP 14 -2.222 4.945 0.838 101 H ASN 15 H ASN 15 -4.256 7.929 0.950 102 HA ASN 15 HA ASN 15 -6.176 8.806 2.928 103 1HB ASN 15 2HB ASN 15 -3.286 9.714 3.038 104 2HB ASN 15 1HB ASN 15 -4.606 10.583 3.810 105 1HD2 ASN 15 1HD2 ASN 15 -2.365 8.053 4.067 106 2HD2 ASN 15 2HD2 ASN 15 -2.904 7.410 5.578 107 H LEU 16 H LEU 16 -3.667 9.753 0.617 108 HA LEU 16 HA LEU 16 -5.247 12.096 -0.150 109 1HB LEU 16 2HB LEU 16 -3.194 12.797 -1.348 110 2HB LEU 16 1HB LEU 16 -2.962 12.583 0.375 111 HG LEU 16 HG LEU 16 -2.321 10.208 -1.239 112 1HD1 LEU 16 1HD1 LEU 16 -1.549 11.956 -2.759 113 2HD1 LEU 16 2HD1 LEU 16 -0.632 12.696 -1.447 114 3HD1 LEU 16 3HD1 LEU 16 -0.193 11.091 -2.032 115 1HD2 LEU 16 1HD2 LEU 16 -0.232 11.251 0.432 116 2HD2 LEU 16 2HD2 LEU 16 -1.764 11.249 1.303 117 3HD2 LEU 16 3HD2 LEU 16 -1.150 9.757 0.596 118 H GLY 17 H GLY 17 -4.014 9.058 -1.437 119 1HA GLY 17 1HA GLY 17 -5.822 8.390 -3.196 120 2HA GLY 17 2HA GLY 17 -5.137 9.755 -4.058 121 H ARG 18 H ARG 18 -3.121 7.606 -2.133 122 HA ARG 18 HA ARG 18 -1.988 6.593 -4.638 123 1HB ARG 18 2HB ARG 18 -0.761 5.607 -2.156 124 2HB ARG 18 1HB ARG 18 -0.020 6.340 -3.571 125 1HG ARG 18 2HG ARG 18 -1.144 8.527 -2.541 126 2HG ARG 18 1HG ARG 18 -0.943 7.594 -1.058 127 1HD ARG 18 2HD ARG 18 0.978 9.036 -1.469 128 2HD ARG 18 1HD ARG 18 1.425 7.331 -1.524 129 HE ARG 18 HE ARG 18 0.912 8.846 -4.003 130 1HH1 ARG 18 2HH1 ARG 18 3.056 6.964 -1.955 131 2HH1 ARG 18 1HH1 ARG 18 4.213 6.685 -3.226 132 1HH2 ARG 18 2HH2 ARG 18 2.437 8.460 -5.665 133 2HH2 ARG 18 1HH2 ARG 18 3.887 7.568 -5.305 134 H THR 19 H THR 19 -3.692 5.300 -5.221 135 HA THR 19 HA THR 19 -5.013 3.460 -3.575 136 HB THR 19 HB THR 19 -4.786 2.741 -6.421 137 HG1 THR 19 1HG THR 19 -6.283 5.055 -5.949 138 1HG2 THR 19 1HG2 THR 19 -6.536 2.209 -4.420 139 2HG2 THR 19 2HG2 THR 19 -6.935 2.103 -6.136 140 3HG2 THR 19 3HG2 THR 19 -7.350 3.555 -5.220 141 H TYR 20 H TYR 20 -4.040 1.861 -2.539 142 HA TYR 20 HA TYR 20 -2.089 0.260 -4.037 143 1HB TYR 20 2HB TYR 20 -1.030 -0.329 -1.940 144 2HB TYR 20 1HB TYR 20 -1.087 1.418 -2.104 145 HD1 TYR 20 1HD TYR 20 -2.654 2.737 -0.696 146 HD2 TYR 20 2HD TYR 20 -2.156 -1.451 -0.177 147 HE1 TYR 20 1HE TYR 20 -3.683 2.897 1.529 148 HE2 TYR 20 2HE TYR 20 -3.185 -1.300 2.045 149 HH TYR 20 HH TYR 20 -3.401 1.199 3.799 150 H TYR 21 H TYR 21 -1.931 -2.006 -3.075 151 HA TYR 21 HA TYR 21 -4.656 -3.007 -2.609 152 1HB TYR 21 2HB TYR 21 -2.480 -4.407 -4.184 153 2HB TYR 21 1HB TYR 21 -4.134 -4.963 -3.950 154 HD1 TYR 21 1HD TYR 21 -1.942 -2.849 -5.929 155 HD2 TYR 21 2HD TYR 21 -6.014 -3.705 -5.017 156 HE1 TYR 21 1HE TYR 21 -2.645 -1.665 -7.961 157 HE2 TYR 21 2HE TYR 21 -6.719 -2.528 -7.054 158 HH TYR 21 HH TYR 21 -5.700 -0.618 -8.526 159 H VAL 22 H VAL 22 -4.827 -3.953 -0.707 160 HA VAL 22 HA VAL 22 -2.351 -4.859 0.595 161 HB VAL 22 HB VAL 22 -3.217 -3.116 1.895 162 1HG1 VAL 22 1HG1 VAL 22 -5.792 -4.071 0.983 163 2HG1 VAL 22 2HG1 VAL 22 -5.790 -3.695 2.707 164 3HG1 VAL 22 3HG1 VAL 22 -5.312 -2.467 1.535 165 1HG2 VAL 22 1HG2 VAL 22 -3.604 -4.092 3.989 166 2HG2 VAL 22 2HG2 VAL 22 -4.417 -5.488 3.281 167 3HG2 VAL 22 3HG2 VAL 22 -2.673 -5.295 3.097 168 H ASN 23 H ASN 23 -2.127 -6.970 0.583 169 HA ASN 23 HA ASN 23 -4.284 -8.810 0.420 170 1HB ASN 23 2HB ASN 23 -1.817 -9.232 -0.186 171 2HB ASN 23 1HB ASN 23 -1.553 -9.438 1.542 172 1HD2 ASN 23 1HD2 ASN 23 -0.993 -11.463 -0.200 173 2HD2 ASN 23 2HD2 ASN 23 -2.135 -12.755 0.011 174 H HIS 24 H HIS 24 -5.393 -9.836 2.080 175 HA HIS 24 HA HIS 24 -4.971 -8.741 4.757 176 1HB HIS 24 2HB HIS 24 -7.206 -10.189 3.398 177 2HB HIS 24 1HB HIS 24 -7.089 -10.283 5.151 178 HD1 HIS 24 1HD HIS 24 -9.199 -8.894 5.539 179 HD2 HIS 24 2HD HIS 24 -6.268 -6.930 3.336 180 HE1 HIS 24 1HE HIS 24 -9.933 -6.490 5.424 181 HE2 HIS 24 2HE HIS 24 -8.287 -5.380 3.869 182 H ASN 25 H ASN 25 -4.228 -11.464 2.908 183 HA ASN 25 HA ASN 25 -4.092 -13.370 5.060 184 1HB ASN 25 2HB ASN 25 -3.902 -13.408 2.200 185 2HB ASN 25 1HB ASN 25 -2.462 -14.174 2.861 186 1HD2 ASN 25 1HD2 ASN 25 -5.252 -14.918 1.610 187 2HD2 ASN 25 2HD2 ASN 25 -5.711 -16.302 2.536 188 H ASN 26 H ASN 26 -1.601 -11.970 2.936 189 HA ASN 26 HA ASN 26 0.455 -12.459 4.934 190 1HB ASN 26 2HB ASN 26 0.912 -12.951 2.559 191 2HB ASN 26 1HB ASN 26 0.645 -11.258 2.156 192 1HD2 ASN 26 1HD2 ASN 26 2.756 -13.525 3.752 193 2HD2 ASN 26 2HD2 ASN 26 4.145 -12.478 3.819 194 H ARG 27 H ARG 27 -1.614 -9.980 3.994 195 HA ARG 27 HA ARG 27 -1.818 -7.780 4.355 196 1HB ARG 27 2HB ARG 27 0.087 -8.239 6.651 197 2HB ARG 27 1HB ARG 27 -0.935 -6.825 6.408 198 1HG ARG 27 2HG ARG 27 -2.588 -9.129 6.317 199 2HG ARG 27 1HG ARG 27 -1.562 -9.233 7.747 200 1HD ARG 27 2HD ARG 27 -3.904 -7.742 7.454 201 2HD ARG 27 1HD ARG 27 -2.758 -7.673 8.789 202 HE ARG 27 HE ARG 27 -1.615 -5.870 7.505 203 1HH1 ARG 27 2HH1 ARG 27 -5.018 -6.554 6.952 204 2HH1 ARG 27 1HH1 ARG 27 -5.359 -4.956 6.342 205 1HH2 ARG 27 2HH2 ARG 27 -2.076 -3.791 6.723 206 2HH2 ARG 27 1HH2 ARG 27 -3.689 -3.393 6.205 207 H SER 28 H SER 28 -0.327 -8.192 2.297 208 HA SER 28 HA SER 28 2.086 -6.586 2.481 209 1HB SER 28 2HB SER 28 1.346 -7.248 -0.212 210 2HB SER 28 1HB SER 28 2.712 -7.846 0.729 211 HG SER 28 HG SER 28 1.420 -9.588 0.162 212 H THR 29 H THR 29 1.734 -4.455 2.600 213 HA THR 29 HA THR 29 -0.576 -3.281 1.238 214 HB THR 29 HB THR 29 0.543 -1.199 2.556 215 HG1 THR 29 1HG THR 29 2.213 -2.268 3.532 216 1HG2 THR 29 1HG2 THR 29 -0.908 -2.563 4.545 217 2HG2 THR 29 2HG2 THR 29 -1.614 -3.041 3.000 218 3HG2 THR 29 3HG2 THR 29 -1.500 -1.335 3.428 219 H GLN 30 H GLN 30 0.690 -3.752 -0.841 220 HA GLN 30 HA GLN 30 2.763 -1.726 -1.320 221 1HB GLN 30 2HB GLN 30 3.255 -3.152 -3.367 222 2HB GLN 30 1HB GLN 30 3.651 -3.847 -1.807 223 1HG GLN 30 2HG GLN 30 1.711 -5.263 -1.889 224 2HG GLN 30 1HG GLN 30 1.131 -4.452 -3.333 225 1HE2 GLN 30 1HE2 GLN 30 1.422 -5.561 -5.038 226 2HE2 GLN 30 2HE2 GLN 30 2.732 -6.616 -5.367 227 H TRP 31 H TRP 31 2.503 -0.125 -2.817 228 HA TRP 31 HA TRP 31 -0.129 0.030 -4.072 229 1HB TRP 31 2HB TRP 31 1.403 2.332 -4.751 230 2HB TRP 31 1HB TRP 31 -0.005 2.225 -3.713 231 HD1 TRP 31 HD TRP 31 3.801 1.648 -3.301 232 HE1 TRP 31 1HE TRP 31 4.527 2.629 -1.044 233 HE3 TRP 31 3HE TRP 31 -0.738 3.285 -1.657 234 HZ2 TRP 31 2HZ TRP 31 3.329 3.941 1.146 235 HZ3 TRP 31 3HZ TRP 31 -0.863 4.409 0.524 236 HH2 TRP 31 HH TRP 31 1.129 4.732 1.894 237 H HIS 32 H HIS 32 2.646 -1.368 -4.972 238 HA HIS 32 HA HIS 32 2.567 -0.362 -7.715 239 1HB HIS 32 2HB HIS 32 4.497 -1.997 -8.079 240 2HB HIS 32 1HB HIS 32 4.813 -0.592 -7.075 241 HD1 HIS 32 1HD HIS 32 4.423 -4.323 -6.917 242 HD2 HIS 32 2HD HIS 32 5.551 -1.156 -4.467 243 HE1 HIS 32 1HE HIS 32 5.445 -5.371 -4.872 244 HE2 HIS 32 2HE HIS 32 6.315 -3.438 -3.515 245 H ARG 33 H ARG 33 0.616 -2.209 -6.225 246 HA ARG 33 HA ARG 33 -0.884 -3.807 -6.809 247 1HB ARG 33 2HB ARG 33 -0.902 -2.667 -9.002 248 2HB ARG 33 1HB ARG 33 0.417 -3.696 -9.539 249 1HG ARG 33 2HG ARG 33 -0.957 -5.636 -9.433 250 2HG ARG 33 1HG ARG 33 -2.253 -4.745 -8.638 251 1HD ARG 33 2HD ARG 33 -2.061 -3.253 -10.811 252 2HD ARG 33 1HD ARG 33 -1.410 -4.745 -11.488 253 HE ARG 33 HE ARG 33 -4.132 -4.185 -10.854 254 1HH1 ARG 33 2HH1 ARG 33 -1.777 -6.772 -11.126 255 2HH1 ARG 33 1HH1 ARG 33 -2.975 -8.024 -11.280 256 1HH2 ARG 33 2HH2 ARG 33 -5.706 -5.820 -11.054 257 2HH2 ARG 33 1HH2 ARG 33 -5.209 -7.483 -11.206 258 HA PRO 34 HA PRO 34 1.245 -7.631 -5.937 259 1HB PRO 34 2HB PRO 34 -0.843 -9.267 -6.809 260 2HB PRO 34 1HB PRO 34 -0.610 -8.675 -5.165 261 1HG PRO 34 2HG PRO 34 -2.399 -7.657 -7.308 262 2HG PRO 34 1HG PRO 34 -2.646 -7.682 -5.558 263 1HD PRO 34 2HD PRO 34 -2.016 -5.425 -6.874 264 2HD PRO 34 1HD PRO 34 -1.425 -5.748 -5.231 265 H SER 35 H SER 35 2.820 -7.593 -7.485 266 HA SER 35 HA SER 35 2.278 -7.980 -10.261 267 1HB SER 35 2HB SER 35 5.035 -8.252 -9.159 268 2HB SER 35 1HB SER 35 4.465 -7.345 -10.565 269 HG SER 35 HG SER 35 3.369 -5.980 -8.887 270 H LEU 36 H LEU 36 1.603 -9.905 -10.885 271 HA LEU 36 HA LEU 36 3.247 -12.241 -10.261 272 1HB LEU 36 2HB LEU 36 0.230 -12.143 -10.091 273 2HB LEU 36 1HB LEU 36 1.183 -13.613 -10.040 274 HG LEU 36 HG LEU 36 1.795 -11.509 -8.026 275 1HD1 LEU 36 1HD1 LEU 36 -0.698 -13.181 -8.057 276 2HD1 LEU 36 2HD1 LEU 36 0.006 -12.559 -6.566 277 3HD1 LEU 36 3HD1 LEU 36 -0.542 -11.442 -7.815 278 1HD2 LEU 36 1HD2 LEU 36 1.594 -14.510 -7.842 279 2HD2 LEU 36 2HD2 LEU 36 3.075 -13.623 -8.206 280 3HD2 LEU 36 3HD2 LEU 36 2.285 -13.417 -6.642 Start of MODEL 19 1 1H GLY 1 1H GLY 1 1.117 -12.699 -18.987 2 2H GLY 1 2H GLY 1 0.536 -11.321 -18.187 3 3H GLY 1 3H GLY 1 -0.454 -12.138 -19.288 4 1HA GLY 1 2HA GLY 1 -1.109 -13.650 -17.805 5 2HA GLY 1 1HA GLY 1 0.524 -13.819 -17.170 6 H SER 2 H SER 2 -2.225 -11.572 -17.214 7 HA SER 2 HA SER 2 -1.360 -10.592 -14.576 8 1HB SER 2 2HB SER 2 -3.412 -8.989 -15.842 9 2HB SER 2 1HB SER 2 -1.796 -8.520 -15.311 10 HG SER 2 HG SER 2 -2.647 -8.780 -17.784 11 HA PRO 3 HA PRO 3 -5.140 -12.619 -13.156 12 1HB PRO 3 2HB PRO 3 -4.559 -12.441 -10.528 13 2HB PRO 3 1HB PRO 3 -3.812 -13.660 -11.569 14 1HG PRO 3 2HG PRO 3 -2.703 -11.058 -10.594 15 2HG PRO 3 1HG PRO 3 -1.900 -12.632 -10.737 16 1HD PRO 3 2HD PRO 3 -1.621 -10.609 -12.557 17 2HD PRO 3 1HD PRO 3 -1.439 -12.328 -12.959 18 HA PRO 4 HA PRO 4 -7.459 -8.916 -12.294 19 1HB PRO 4 2HB PRO 4 -9.379 -10.586 -10.822 20 2HB PRO 4 1HB PRO 4 -9.615 -9.643 -12.293 21 1HG PRO 4 2HG PRO 4 -9.546 -12.341 -12.301 22 2HG PRO 4 1HG PRO 4 -8.962 -11.370 -13.664 23 1HD PRO 4 2HD PRO 4 -7.412 -12.767 -11.522 24 2HD PRO 4 1HD PRO 4 -7.042 -12.592 -13.251 25 H LEU 5 H LEU 5 -8.146 -11.037 -9.533 26 HA LEU 5 HA LEU 5 -6.331 -9.794 -7.762 27 1HB LEU 5 2HB LEU 5 -8.453 -8.223 -8.192 28 2HB LEU 5 1HB LEU 5 -9.133 -9.268 -6.963 29 HG LEU 5 HG LEU 5 -7.319 -8.649 -5.423 30 1HD1 LEU 5 1HD1 LEU 5 -5.969 -7.954 -7.707 31 2HD1 LEU 5 2HD1 LEU 5 -6.371 -6.391 -6.993 32 3HD1 LEU 5 3HD1 LEU 5 -5.467 -7.583 -6.056 33 1HD2 LEU 5 1HD2 LEU 5 -9.434 -7.322 -5.547 34 2HD2 LEU 5 2HD2 LEU 5 -8.042 -6.421 -4.945 35 3HD2 LEU 5 3HD2 LEU 5 -8.594 -6.186 -6.603 36 HA PRO 6 HA PRO 6 -7.440 -13.773 -5.900 37 1HB PRO 6 2HB PRO 6 -5.453 -12.906 -3.894 38 2HB PRO 6 1HB PRO 6 -5.494 -14.380 -4.863 39 1HG PRO 6 2HG PRO 6 -3.719 -12.432 -5.354 40 2HG PRO 6 1HG PRO 6 -4.438 -13.389 -6.663 41 1HD PRO 6 2HD PRO 6 -5.116 -10.618 -5.744 42 2HD PRO 6 1HD PRO 6 -4.998 -11.258 -7.396 43 HA PRO 7 HA PRO 7 -10.418 -12.401 -3.186 44 1HB PRO 7 2HB PRO 7 -10.665 -14.375 -1.328 45 2HB PRO 7 1HB PRO 7 -11.195 -14.537 -3.004 46 1HG PRO 7 2HG PRO 7 -8.721 -15.557 -1.694 47 2HG PRO 7 1HG PRO 7 -9.726 -16.314 -2.939 48 1HD PRO 7 2HD PRO 7 -7.346 -15.061 -3.446 49 2HD PRO 7 1HD PRO 7 -8.648 -15.217 -4.635 50 H GLY 8 H GLY 8 -7.403 -13.050 -1.686 51 1HA GLY 8 1HA GLY 8 -8.201 -11.710 0.789 52 2HA GLY 8 2HA GLY 8 -6.686 -12.563 0.517 53 H TRP 9 H TRP 9 -8.051 -10.149 -1.666 54 HA TRP 9 HA TRP 9 -5.943 -8.291 -0.789 55 1HB TRP 9 2HB TRP 9 -6.830 -8.986 -3.580 56 2HB TRP 9 1HB TRP 9 -5.965 -7.491 -3.222 57 HD1 TRP 9 HD TRP 9 -5.499 -11.293 -3.208 58 HE1 TRP 9 1HE TRP 9 -2.968 -11.816 -3.199 59 HE3 TRP 9 3HE TRP 9 -3.691 -6.538 -2.626 60 HZ2 TRP 9 2HZ TRP 9 -0.540 -10.388 -2.961 61 HZ3 TRP 9 3HZ TRP 9 -1.263 -6.212 -2.509 62 HH2 TRP 9 HH TRP 9 0.285 -8.095 -2.677 63 H GLU 10 H GLU 10 -6.402 -6.073 -0.899 64 HA GLU 10 HA GLU 10 -9.206 -5.349 -1.416 65 1HB GLU 10 2HB GLU 10 -7.936 -5.444 1.119 66 2HB GLU 10 1HB GLU 10 -8.147 -3.749 0.707 67 1HG GLU 10 2HG GLU 10 -10.495 -4.025 0.469 68 2HG GLU 10 1HG GLU 10 -10.361 -5.774 0.617 69 H GLU 11 H GLU 11 -9.388 -3.608 -2.690 70 HA GLU 11 HA GLU 11 -6.991 -2.076 -3.338 71 1HB GLU 11 2HB GLU 11 -8.366 -2.912 -5.175 72 2HB GLU 11 1HB GLU 11 -9.758 -2.048 -4.543 73 1HG GLU 11 2HG GLU 11 -8.628 0.077 -4.951 74 2HG GLU 11 1HG GLU 11 -7.227 -0.793 -5.575 75 H LYS 12 H LYS 12 -6.564 -0.385 -2.108 76 HA LYS 12 HA LYS 12 -8.808 1.246 -1.126 77 1HB LYS 12 2HB LYS 12 -6.628 -0.064 0.445 78 2HB LYS 12 1HB LYS 12 -7.234 1.499 0.974 79 1HG LYS 12 2HG LYS 12 -9.123 0.625 1.772 80 2HG LYS 12 1HG LYS 12 -9.335 -0.415 0.364 81 1HD LYS 12 2HD LYS 12 -8.933 -2.047 1.880 82 2HD LYS 12 1HD LYS 12 -7.256 -1.653 1.504 83 1HE LYS 12 2HE LYS 12 -6.933 -0.528 3.483 84 2HE LYS 12 1HE LYS 12 -8.645 -0.154 3.674 85 1HZ LYS 12 1HZ LYS 12 -7.154 -2.403 4.631 86 2HZ LYS 12 2HZ LYS 12 -8.543 -2.884 3.776 87 3HZ LYS 12 3HZ LYS 12 -8.680 -1.837 5.107 88 H VAL 13 H VAL 13 -8.485 3.410 -1.144 89 HA VAL 13 HA VAL 13 -5.865 4.359 -2.045 90 HB VAL 13 HB VAL 13 -8.615 5.442 -2.231 91 1HG1 VAL 13 1HG1 VAL 13 -7.471 7.763 -2.650 92 2HG1 VAL 13 2HG1 VAL 13 -7.988 7.294 -1.030 93 3HG1 VAL 13 3HG1 VAL 13 -6.292 7.151 -1.490 94 1HG2 VAL 13 1HG2 VAL 13 -6.855 4.546 -4.017 95 2HG2 VAL 13 2HG2 VAL 13 -8.068 5.768 -4.402 96 3HG2 VAL 13 3HG2 VAL 13 -6.416 6.257 -4.025 97 H ASP 14 H ASP 14 -4.459 5.038 -0.596 98 HA ASP 14 HA ASP 14 -5.209 5.455 2.143 99 1HB ASP 14 2HB ASP 14 -2.948 4.571 1.093 100 2HB ASP 14 1HB ASP 14 -2.535 6.277 1.090 101 H ASN 15 H ASN 15 -4.014 7.539 3.157 102 HA ASN 15 HA ASN 15 -5.889 9.517 2.858 103 1HB ASN 15 2HB ASN 15 -4.111 9.154 4.696 104 2HB ASN 15 1HB ASN 15 -3.092 10.201 3.713 105 1HD2 ASN 15 1HD2 ASN 15 -3.033 11.859 5.203 106 2HD2 ASN 15 2HD2 ASN 15 -4.419 12.834 5.567 107 H LEU 16 H LEU 16 -2.861 9.246 1.075 108 HA LEU 16 HA LEU 16 -3.363 11.879 -0.110 109 1HB LEU 16 2HB LEU 16 -0.936 10.390 0.583 110 2HB LEU 16 1HB LEU 16 -0.873 11.198 -0.974 111 HG LEU 16 HG LEU 16 -1.943 13.023 0.940 112 1HD1 LEU 16 1HD1 LEU 16 0.266 13.165 2.268 113 2HD1 LEU 16 2HD1 LEU 16 -0.950 11.984 2.755 114 3HD1 LEU 16 3HD1 LEU 16 0.457 11.469 1.823 115 1HD2 LEU 16 1HD2 LEU 16 -0.592 13.313 -1.252 116 2HD2 LEU 16 2HD2 LEU 16 -0.342 14.452 0.070 117 3HD2 LEU 16 3HD2 LEU 16 0.820 13.152 -0.206 118 H GLY 17 H GLY 17 -4.663 9.298 -0.952 119 1HA GLY 17 1HA GLY 17 -5.616 8.797 -2.983 120 2HA GLY 17 2HA GLY 17 -4.622 10.041 -3.716 121 H ARG 18 H ARG 18 -2.962 7.604 -1.930 122 HA ARG 18 HA ARG 18 -1.963 6.515 -4.443 123 1HB ARG 18 2HB ARG 18 -0.894 5.308 -1.969 124 2HB ARG 18 1HB ARG 18 -0.055 5.917 -3.382 125 1HG ARG 18 2HG ARG 18 0.681 7.473 -1.978 126 2HG ARG 18 1HG ARG 18 -0.871 8.244 -2.290 127 1HD ARG 18 2HD ARG 18 -1.473 8.007 -0.158 128 2HD ARG 18 1HD ARG 18 -1.083 6.287 -0.183 129 HE ARG 18 HE ARG 18 1.350 7.418 -0.001 130 1HH1 ARG 18 2HH1 ARG 18 -1.590 7.807 1.856 131 2HH1 ARG 18 1HH1 ARG 18 -0.777 8.337 3.295 132 1HH2 ARG 18 2HH2 ARG 18 2.433 8.114 1.895 133 2HH2 ARG 18 1HH2 ARG 18 1.511 8.514 3.311 134 H THR 19 H THR 19 -3.233 5.061 -5.301 135 HA THR 19 HA THR 19 -5.021 3.419 -3.841 136 HB THR 19 HB THR 19 -4.235 2.580 -6.571 137 HG1 THR 19 1HG THR 19 -4.573 4.459 -7.501 138 1HG2 THR 19 1HG2 THR 19 -6.682 2.598 -6.882 139 2HG2 THR 19 2HG2 THR 19 -6.874 3.255 -5.257 140 3HG2 THR 19 3HG2 THR 19 -6.199 1.640 -5.481 141 H TYR 20 H TYR 20 -4.071 2.021 -2.424 142 HA TYR 20 HA TYR 20 -1.990 0.272 -3.503 143 1HB TYR 20 2HB TYR 20 -1.268 -0.184 -1.263 144 2HB TYR 20 1HB TYR 20 -1.386 1.556 -1.465 145 HD1 TYR 20 1HD TYR 20 -2.585 -1.345 0.330 146 HD2 TYR 20 2HD TYR 20 -3.252 2.797 -0.383 147 HE1 TYR 20 1HE TYR 20 -3.984 -1.226 2.333 148 HE2 TYR 20 2HE TYR 20 -4.644 2.930 1.633 149 HH TYR 20 HH TYR 20 -4.894 1.667 3.790 150 H TYR 21 H TYR 21 -2.007 -1.943 -2.645 151 HA TYR 21 HA TYR 21 -4.749 -2.965 -2.499 152 1HB TYR 21 2HB TYR 21 -2.479 -4.143 -4.142 153 2HB TYR 21 1HB TYR 21 -4.082 -4.846 -3.959 154 HD1 TYR 21 1HD TYR 21 -2.323 -1.826 -5.275 155 HD2 TYR 21 2HD TYR 21 -5.840 -4.214 -5.390 156 HE1 TYR 21 1HE TYR 21 -3.176 -0.465 -7.130 157 HE2 TYR 21 2HE TYR 21 -6.695 -2.868 -7.251 158 HH TYR 21 HH TYR 21 -6.446 -0.741 -8.246 159 H VAL 22 H VAL 22 -4.925 -3.739 -0.537 160 HA VAL 22 HA VAL 22 -2.519 -4.692 0.819 161 HB VAL 22 HB VAL 22 -3.626 -3.063 2.110 162 1HG1 VAL 22 1HG1 VAL 22 -5.742 -2.675 1.479 163 2HG1 VAL 22 2HG1 VAL 22 -6.072 -4.377 1.160 164 3HG1 VAL 22 3HG1 VAL 22 -6.126 -3.763 2.813 165 1HG2 VAL 22 1HG2 VAL 22 -4.000 -5.856 3.078 166 2HG2 VAL 22 2HG2 VAL 22 -2.919 -4.594 3.667 167 3HG2 VAL 22 3HG2 VAL 22 -4.641 -4.522 4.039 168 H ASN 23 H ASN 23 -2.104 -6.734 0.812 169 HA ASN 23 HA ASN 23 -4.050 -8.765 0.353 170 1HB ASN 23 2HB ASN 23 -1.696 -9.050 -0.274 171 2HB ASN 23 1HB ASN 23 -1.220 -8.937 1.413 172 1HD2 ASN 23 1HD2 ASN 23 -2.837 -10.899 -0.978 173 2HD2 ASN 23 2HD2 ASN 23 -2.721 -12.392 -0.103 174 H HIS 24 H HIS 24 -5.022 -10.138 1.864 175 HA HIS 24 HA HIS 24 -5.115 -9.012 4.572 176 1HB HIS 24 2HB HIS 24 -7.020 -10.510 2.846 177 2HB HIS 24 1HB HIS 24 -7.151 -10.749 4.585 178 HD1 HIS 24 1HD HIS 24 -9.426 -9.547 4.684 179 HD2 HIS 24 2HD HIS 24 -6.337 -7.178 3.218 180 HE1 HIS 24 1HE HIS 24 -10.310 -7.194 4.698 181 HE2 HIS 24 2HE HIS 24 -8.483 -5.798 3.672 182 H ASN 25 H ASN 25 -3.538 -11.437 3.027 183 HA ASN 25 HA ASN 25 -3.774 -13.388 5.196 184 1HB ASN 25 2HB ASN 25 -3.362 -13.565 2.374 185 2HB ASN 25 1HB ASN 25 -1.944 -14.233 3.175 186 1HD2 ASN 25 1HD2 ASN 25 -5.235 -14.663 2.392 187 2HD2 ASN 25 2HD2 ASN 25 -5.447 -16.216 3.124 188 H ASN 26 H ASN 26 -1.041 -12.327 3.188 189 HA ASN 26 HA ASN 26 0.791 -12.444 5.433 190 1HB ASN 26 2HB ASN 26 1.487 -13.181 3.177 191 2HB ASN 26 1HB ASN 26 1.196 -11.562 2.559 192 1HD2 ASN 26 1HD2 ASN 26 3.385 -13.643 4.175 193 2HD2 ASN 26 2HD2 ASN 26 4.680 -12.495 4.336 194 H ARG 27 H ARG 27 -1.234 -10.210 3.905 195 HA ARG 27 HA ARG 27 -1.810 -8.084 4.347 196 1HB ARG 27 2HB ARG 27 0.184 -8.130 6.613 197 2HB ARG 27 1HB ARG 27 -1.127 -6.976 6.372 198 1HG ARG 27 2HG ARG 27 -1.881 -9.828 6.511 199 2HG ARG 27 1HG ARG 27 -1.319 -9.073 8.003 200 1HD ARG 27 2HD ARG 27 -3.503 -7.976 6.240 201 2HD ARG 27 1HD ARG 27 -3.776 -8.940 7.690 202 HE ARG 27 HE ARG 27 -2.183 -6.520 7.998 203 1HH1 ARG 27 2HH1 ARG 27 -5.309 -8.075 8.344 204 2HH1 ARG 27 1HH1 ARG 27 -5.906 -6.888 9.471 205 1HH2 ARG 27 2HH2 ARG 27 -2.958 -4.987 9.469 206 2HH2 ARG 27 1HH2 ARG 27 -4.553 -5.147 10.132 207 H SER 28 H SER 28 0.295 -8.730 2.500 208 HA SER 28 HA SER 28 2.239 -6.693 2.493 209 1HB SER 28 2HB SER 28 1.313 -7.489 -0.153 210 2HB SER 28 1HB SER 28 2.885 -7.748 0.607 211 HG SER 28 HG SER 28 2.249 -9.759 0.656 212 H THR 29 H THR 29 1.886 -4.580 2.383 213 HA THR 29 HA THR 29 -0.602 -3.616 1.134 214 HB THR 29 HB THR 29 0.603 -1.533 2.618 215 HG1 THR 29 1HG THR 29 0.711 -4.086 3.864 216 1HG2 THR 29 1HG2 THR 29 -1.800 -3.291 3.008 217 2HG2 THR 29 2HG2 THR 29 -1.735 -1.630 2.416 218 3HG2 THR 29 3HG2 THR 29 -1.415 -1.973 4.116 219 H GLN 30 H GLN 30 0.349 -3.685 -0.947 220 HA GLN 30 HA GLN 30 2.608 -1.858 -1.400 221 1HB GLN 30 2HB GLN 30 2.640 -3.150 -3.678 222 2HB GLN 30 1HB GLN 30 3.350 -3.878 -2.248 223 1HG GLN 30 2HG GLN 30 2.143 -5.662 -2.826 224 2HG GLN 30 1HG GLN 30 0.803 -4.795 -2.092 225 1HE2 GLN 30 1HE2 GLN 30 1.554 -6.546 -4.627 226 2HE2 GLN 30 2HE2 GLN 30 0.522 -5.855 -5.827 227 H TRP 31 H TRP 31 2.542 -0.480 -3.273 228 HA TRP 31 HA TRP 31 -0.192 0.111 -4.140 229 1HB TRP 31 2HB TRP 31 1.864 2.145 -4.681 230 2HB TRP 31 1HB TRP 31 0.247 2.320 -4.036 231 HD1 TRP 31 HD TRP 31 3.693 1.170 -2.744 232 HE1 TRP 31 1HE TRP 31 3.953 1.905 -0.298 233 HE3 TRP 31 3HE TRP 31 -0.863 3.337 -2.121 234 HZ2 TRP 31 2HZ TRP 31 2.416 3.274 1.631 235 HZ3 TRP 31 3HZ TRP 31 -1.383 4.371 0.046 236 HH2 TRP 31 HH TRP 31 0.217 4.334 1.888 237 H HIS 32 H HIS 32 1.484 -1.977 -5.345 238 HA HIS 32 HA HIS 32 1.672 -0.749 -8.022 239 1HB HIS 32 2HB HIS 32 3.384 -2.550 -8.578 240 2HB HIS 32 1HB HIS 32 3.917 -1.229 -7.550 241 HD1 HIS 32 1HD HIS 32 2.811 -4.865 -7.239 242 HD2 HIS 32 2HD HIS 32 5.101 -2.017 -5.254 243 HE1 HIS 32 1HE HIS 32 3.946 -6.091 -5.354 244 HE2 HIS 32 2HE HIS 32 5.519 -4.401 -4.344 245 H ARG 33 H ARG 33 -0.136 -2.723 -6.240 246 HA ARG 33 HA ARG 33 -1.822 -4.162 -6.712 247 1HB ARG 33 2HB ARG 33 -1.868 -2.637 -8.841 248 2HB ARG 33 1HB ARG 33 -1.230 -4.064 -9.646 249 1HG ARG 33 2HG ARG 33 -3.204 -5.324 -8.718 250 2HG ARG 33 1HG ARG 33 -3.859 -3.760 -8.224 251 1HD ARG 33 2HD ARG 33 -3.184 -3.256 -10.787 252 2HD ARG 33 1HD ARG 33 -3.631 -4.955 -10.891 253 HE ARG 33 HE ARG 33 -5.807 -4.305 -9.923 254 1HH1 ARG 33 2HH1 ARG 33 -3.819 -1.916 -11.544 255 2HH1 ARG 33 1HH1 ARG 33 -5.147 -0.837 -11.863 256 1HH2 ARG 33 2HH2 ARG 33 -7.561 -2.898 -10.346 257 2HH2 ARG 33 1HH2 ARG 33 -7.279 -1.391 -11.164 258 HA PRO 34 HA PRO 34 0.390 -7.979 -6.738 259 1HB PRO 34 2HB PRO 34 -1.747 -9.672 -6.692 260 2HB PRO 34 1HB PRO 34 -1.165 -8.791 -5.277 261 1HG PRO 34 2HG PRO 34 -3.442 -8.146 -7.105 262 2HG PRO 34 1HG PRO 34 -3.361 -8.041 -5.339 263 1HD PRO 34 2HD PRO 34 -3.111 -5.872 -6.919 264 2HD PRO 34 1HD PRO 34 -2.234 -6.029 -5.384 265 H SER 35 H SER 35 1.261 -7.820 -8.854 266 HA SER 35 HA SER 35 -0.261 -9.079 -10.999 267 1HB SER 35 2HB SER 35 2.368 -8.570 -11.864 268 2HB SER 35 1HB SER 35 0.928 -7.612 -12.220 269 HG SER 35 HG SER 35 1.432 -6.214 -10.659 270 H LEU 36 H LEU 36 1.315 -10.589 -12.387 271 HA LEU 36 HA LEU 36 2.052 -12.776 -10.649 272 1HB LEU 36 2HB LEU 36 1.077 -12.672 -13.180 273 2HB LEU 36 1HB LEU 36 2.786 -12.881 -13.508 274 HG LEU 36 HG LEU 36 2.678 -14.877 -11.912 275 1HD1 LEU 36 1HD1 LEU 36 -0.263 -14.641 -12.513 276 2HD1 LEU 36 2HD1 LEU 36 0.540 -15.910 -11.587 277 3HD1 LEU 36 3HD1 LEU 36 0.477 -14.266 -10.956 278 1HD2 LEU 36 1HD2 LEU 36 2.077 -14.582 -14.676 279 2HD2 LEU 36 2HD2 LEU 36 2.832 -15.943 -13.847 280 3HD2 LEU 36 3HD2 LEU 36 1.077 -15.877 -14.019 Start of MODEL 20 1 1H GLY 1 1H GLY 1 -7.929 -8.722 -21.237 2 2H GLY 1 2H GLY 1 -8.841 -7.419 -21.826 3 3H GLY 1 3H GLY 1 -9.503 -8.980 -21.804 4 1HA GLY 1 2HA GLY 1 -10.148 -7.278 -19.975 5 2HA GLY 1 1HA GLY 1 -9.897 -8.972 -19.576 6 H SER 2 H SER 2 -9.569 -6.474 -17.968 7 HA SER 2 HA SER 2 -6.757 -6.297 -17.420 8 1HB SER 2 2HB SER 2 -8.553 -5.359 -15.309 9 2HB SER 2 1HB SER 2 -7.351 -4.462 -16.242 10 HG SER 2 HG SER 2 -9.390 -3.657 -16.724 11 HA PRO 3 HA PRO 3 -6.389 -9.821 -14.757 12 1HB PRO 3 2HB PRO 3 -4.357 -8.270 -13.280 13 2HB PRO 3 1HB PRO 3 -4.188 -9.799 -14.148 14 1HG PRO 3 2HG PRO 3 -3.152 -7.529 -15.117 15 2HG PRO 3 1HG PRO 3 -3.858 -8.757 -16.188 16 1HD PRO 3 2HD PRO 3 -5.037 -6.170 -15.234 17 2HD PRO 3 1HD PRO 3 -5.104 -6.912 -16.846 18 HA PRO 4 HA PRO 4 -8.999 -8.271 -11.428 19 1HB PRO 4 2HB PRO 4 -9.851 -10.709 -10.585 20 2HB PRO 4 1HB PRO 4 -10.520 -9.896 -12.004 21 1HG PRO 4 2HG PRO 4 -8.470 -12.069 -11.857 22 2HG PRO 4 1HG PRO 4 -9.831 -11.886 -12.979 23 1HD PRO 4 2HD PRO 4 -7.276 -11.251 -13.646 24 2HD PRO 4 1HD PRO 4 -8.684 -10.408 -14.324 25 H LEU 5 H LEU 5 -8.907 -8.270 -9.166 26 HA LEU 5 HA LEU 5 -6.336 -8.798 -8.059 27 1HB LEU 5 2HB LEU 5 -8.429 -7.127 -7.447 28 2HB LEU 5 1HB LEU 5 -8.513 -8.317 -6.160 29 HG LEU 5 HG LEU 5 -6.198 -7.841 -5.540 30 1HD1 LEU 5 1HD1 LEU 5 -5.531 -7.191 -7.902 31 2HD1 LEU 5 2HD1 LEU 5 -6.206 -5.602 -7.542 32 3HD1 LEU 5 3HD1 LEU 5 -4.856 -6.222 -6.591 33 1HD2 LEU 5 1HD2 LEU 5 -6.531 -5.617 -4.640 34 2HD2 LEU 5 2HD2 LEU 5 -7.840 -5.325 -5.786 35 3HD2 LEU 5 3HD2 LEU 5 -8.024 -6.548 -4.528 36 HA PRO 6 HA PRO 6 -7.091 -12.997 -6.745 37 1HB PRO 6 2HB PRO 6 -4.783 -12.595 -4.967 38 2HB PRO 6 1HB PRO 6 -4.973 -13.716 -6.317 39 1HG PRO 6 2HG PRO 6 -3.347 -11.590 -6.480 40 2HG PRO 6 1HG PRO 6 -4.272 -12.168 -7.878 41 1HD PRO 6 2HD PRO 6 -4.854 -9.863 -6.047 42 2HD PRO 6 1HD PRO 6 -4.966 -9.950 -7.820 43 HA PRO 7 HA PRO 7 -9.281 -12.709 -2.911 44 1HB PRO 7 2HB PRO 7 -8.346 -15.450 -2.322 45 2HB PRO 7 1HB PRO 7 -9.992 -14.837 -2.510 46 1HG PRO 7 2HG PRO 7 -8.873 -16.373 -4.385 47 2HG PRO 7 1HG PRO 7 -9.938 -15.022 -4.820 48 1HD PRO 7 2HD PRO 7 -6.945 -15.166 -4.864 49 2HD PRO 7 1HD PRO 7 -8.050 -14.451 -6.056 50 H GLY 8 H GLY 8 -8.738 -11.818 -1.037 51 1HA GLY 8 1HA GLY 8 -7.516 -11.789 1.036 52 2HA GLY 8 2HA GLY 8 -6.164 -12.560 0.203 53 H TRP 9 H TRP 9 -7.283 -10.393 -1.926 54 HA TRP 9 HA TRP 9 -5.462 -8.290 -0.980 55 1HB TRP 9 2HB TRP 9 -6.320 -9.177 -3.722 56 2HB TRP 9 1HB TRP 9 -5.618 -7.585 -3.459 57 HD1 TRP 9 HD TRP 9 -4.692 -11.224 -3.809 58 HE1 TRP 9 1HE TRP 9 -2.127 -11.459 -3.720 59 HE3 TRP 9 3HE TRP 9 -3.519 -6.495 -2.314 60 HZ2 TRP 9 2HZ TRP 9 0.108 -9.808 -3.090 61 HZ3 TRP 9 3HZ TRP 9 -1.164 -5.906 -1.995 62 HH2 TRP 9 HH TRP 9 0.615 -7.528 -2.367 63 H GLU 10 H GLU 10 -6.140 -6.119 -1.007 64 HA GLU 10 HA GLU 10 -8.987 -5.664 -1.600 65 1HB GLU 10 2HB GLU 10 -8.217 -5.978 0.912 66 2HB GLU 10 1HB GLU 10 -7.732 -4.299 0.733 67 1HG GLU 10 2HG GLU 10 -9.994 -3.680 0.147 68 2HG GLU 10 1HG GLU 10 -10.496 -5.370 0.236 69 H GLU 11 H GLU 11 -9.273 -3.977 -2.914 70 HA GLU 11 HA GLU 11 -7.123 -2.169 -3.523 71 1HB GLU 11 2HB GLU 11 -8.803 -2.924 -5.211 72 2HB GLU 11 1HB GLU 11 -10.023 -1.996 -4.352 73 1HG GLU 11 2HG GLU 11 -8.780 0.057 -4.788 74 2HG GLU 11 1HG GLU 11 -7.551 -0.870 -5.647 75 H LYS 12 H LYS 12 -6.610 -0.538 -2.255 76 HA LYS 12 HA LYS 12 -8.738 0.893 -0.823 77 1HB LYS 12 2HB LYS 12 -6.691 -0.758 0.325 78 2HB LYS 12 1HB LYS 12 -6.415 0.913 0.799 79 1HG LYS 12 2HG LYS 12 -8.946 0.885 1.367 80 2HG LYS 12 1HG LYS 12 -8.727 -0.866 1.393 81 1HD LYS 12 2HD LYS 12 -6.616 0.481 2.837 82 2HD LYS 12 1HD LYS 12 -8.205 0.920 3.469 83 1HE LYS 12 2HE LYS 12 -7.188 -1.889 3.056 84 2HE LYS 12 1HE LYS 12 -7.263 -1.049 4.602 85 1HZ LYS 12 1HZ LYS 12 -9.234 -2.585 3.418 86 2HZ LYS 12 2HZ LYS 12 -9.792 -0.985 3.324 87 3HZ LYS 12 3HZ LYS 12 -9.369 -1.650 4.824 88 H VAL 13 H VAL 13 -8.564 3.086 -0.966 89 HA VAL 13 HA VAL 13 -6.049 4.230 -1.894 90 HB VAL 13 HB VAL 13 -8.813 5.297 -1.527 91 1HG1 VAL 13 1HG1 VAL 13 -6.871 7.437 -1.930 92 2HG1 VAL 13 2HG1 VAL 13 -8.307 7.388 -0.907 93 3HG1 VAL 13 3HG1 VAL 13 -6.786 6.710 -0.325 94 1HG2 VAL 13 1HG2 VAL 13 -7.358 4.612 -3.681 95 2HG2 VAL 13 2HG2 VAL 13 -8.651 5.811 -3.721 96 3HG2 VAL 13 3HG2 VAL 13 -6.970 6.332 -3.583 97 H ASP 14 H ASP 14 -4.499 4.757 -0.528 98 HA ASP 14 HA ASP 14 -4.912 4.574 2.300 99 1HB ASP 14 2HB ASP 14 -2.816 3.877 1.066 100 2HB ASP 14 1HB ASP 14 -2.443 5.589 0.895 101 H ASN 15 H ASN 15 -2.711 7.056 1.688 102 HA ASN 15 HA ASN 15 -4.367 8.906 3.134 103 1HB ASN 15 2HB ASN 15 -1.805 8.525 3.328 104 2HB ASN 15 1HB ASN 15 -1.707 9.617 1.951 105 1HD2 ASN 15 1HD2 ASN 15 -2.002 11.756 2.245 106 2HD2 ASN 15 2HD2 ASN 15 -2.267 12.496 3.788 107 H LEU 16 H LEU 16 -5.896 8.730 1.175 108 HA LEU 16 HA LEU 16 -7.163 10.032 -0.169 109 1HB LEU 16 2HB LEU 16 -5.155 12.226 0.297 110 2HB LEU 16 1HB LEU 16 -6.821 12.403 -0.221 111 HG LEU 16 HG LEU 16 -6.484 11.030 2.357 112 1HD1 LEU 16 1HD1 LEU 16 -5.683 13.906 1.989 113 2HD1 LEU 16 2HD1 LEU 16 -6.106 13.191 3.544 114 3HD1 LEU 16 3HD1 LEU 16 -4.706 12.597 2.649 115 1HD2 LEU 16 1HD2 LEU 16 -8.565 12.037 1.048 116 2HD2 LEU 16 2HD2 LEU 16 -8.498 11.978 2.809 117 3HD2 LEU 16 3HD2 LEU 16 -8.108 13.475 1.961 118 H GLY 17 H GLY 17 -4.184 8.998 -1.130 119 1HA GLY 17 1HA GLY 17 -4.827 9.396 -3.879 120 2HA GLY 17 2HA GLY 17 -3.567 10.499 -3.377 121 H ARG 18 H ARG 18 -3.694 7.339 -1.940 122 HA ARG 18 HA ARG 18 -1.838 6.344 -3.979 123 1HB ARG 18 2HB ARG 18 -1.191 4.910 -1.655 124 2HB ARG 18 1HB ARG 18 -0.202 6.093 -2.489 125 1HG ARG 18 2HG ARG 18 -1.998 7.543 -0.861 126 2HG ARG 18 1HG ARG 18 -1.339 6.233 0.122 127 1HD ARG 18 2HD ARG 18 0.917 7.028 -1.027 128 2HD ARG 18 1HD ARG 18 0.029 8.545 -1.144 129 HE ARG 18 HE ARG 18 0.459 7.148 1.422 130 1HH1 ARG 18 2HH1 ARG 18 0.427 10.048 -0.537 131 2HH1 ARG 18 1HH1 ARG 18 0.859 11.104 0.780 132 1HH2 ARG 18 2HH2 ARG 18 1.039 8.522 3.164 133 2HH2 ARG 18 1HH2 ARG 18 1.231 10.231 2.884 134 H THR 19 H THR 19 -3.425 5.291 -5.043 135 HA THR 19 HA THR 19 -5.259 3.519 -3.724 136 HB THR 19 HB THR 19 -4.718 3.191 -6.625 137 HG1 THR 19 1HG THR 19 -5.796 5.142 -7.113 138 1HG2 THR 19 1HG2 THR 19 -7.390 3.798 -5.483 139 2HG2 THR 19 2HG2 THR 19 -6.641 2.266 -5.031 140 3HG2 THR 19 3HG2 THR 19 -6.931 2.641 -6.731 141 H TYR 20 H TYR 20 -4.237 1.926 -2.646 142 HA TYR 20 HA TYR 20 -2.336 0.306 -4.192 143 1HB TYR 20 2HB TYR 20 -1.174 -0.243 -2.178 144 2HB TYR 20 1HB TYR 20 -1.325 1.501 -2.263 145 HD1 TYR 20 1HD TYR 20 -3.509 2.423 -0.977 146 HD2 TYR 20 2HD TYR 20 -1.535 -1.251 -0.153 147 HE1 TYR 20 1HE TYR 20 -4.432 2.444 1.300 148 HE2 TYR 20 2HE TYR 20 -2.453 -1.236 2.124 149 HH TYR 20 HH TYR 20 -3.811 1.463 3.546 150 H TYR 21 H TYR 21 -2.125 -1.918 -3.128 151 HA TYR 21 HA TYR 21 -4.824 -2.948 -2.628 152 1HB TYR 21 2HB TYR 21 -2.650 -4.331 -4.227 153 2HB TYR 21 1HB TYR 21 -4.307 -4.890 -3.987 154 HD1 TYR 21 1HD TYR 21 -2.155 -2.593 -5.842 155 HD2 TYR 21 2HD TYR 21 -6.175 -3.755 -5.106 156 HE1 TYR 21 1HE TYR 21 -2.874 -1.318 -7.810 157 HE2 TYR 21 2HE TYR 21 -6.906 -2.498 -7.086 158 HH TYR 21 HH TYR 21 -5.210 -0.160 -8.504 159 H VAL 22 H VAL 22 -4.961 -3.803 -0.715 160 HA VAL 22 HA VAL 22 -2.464 -4.515 0.656 161 HB VAL 22 HB VAL 22 -3.500 -2.758 1.816 162 1HG1 VAL 22 1HG1 VAL 22 -5.666 -2.754 0.804 163 2HG1 VAL 22 2HG1 VAL 22 -6.086 -4.268 1.610 164 3HG1 VAL 22 3HG1 VAL 22 -5.846 -2.801 2.559 165 1HG2 VAL 22 1HG2 VAL 22 -4.714 -4.566 3.668 166 2HG2 VAL 22 2HG2 VAL 22 -3.236 -5.276 3.015 167 3HG2 VAL 22 3HG2 VAL 22 -3.187 -3.694 3.797 168 H ASN 23 H ASN 23 -2.074 -6.570 0.915 169 HA ASN 23 HA ASN 23 -4.104 -8.568 0.644 170 1HB ASN 23 2HB ASN 23 -1.583 -8.782 0.114 171 2HB ASN 23 1HB ASN 23 -1.382 -9.030 1.844 172 1HD2 ASN 23 1HD2 ASN 23 -2.186 -10.451 -1.117 173 2HD2 ASN 23 2HD2 ASN 23 -2.628 -12.014 -0.521 174 H HIS 24 H HIS 24 -5.013 -9.844 2.286 175 HA HIS 24 HA HIS 24 -4.912 -8.567 4.928 176 1HB HIS 24 2HB HIS 24 -6.985 -10.135 3.453 177 2HB HIS 24 1HB HIS 24 -7.016 -10.134 5.215 178 HD1 HIS 24 1HD HIS 24 -9.092 -8.722 5.505 179 HD2 HIS 24 2HD HIS 24 -6.191 -6.905 3.142 180 HE1 HIS 24 1HE HIS 24 -9.876 -6.356 5.174 181 HE2 HIS 24 2HE HIS 24 -8.216 -5.327 3.587 182 H ASN 25 H ASN 25 -4.307 -11.574 3.290 183 HA ASN 25 HA ASN 25 -4.043 -13.054 5.761 184 1HB ASN 25 2HB ASN 25 -4.429 -14.820 4.455 185 2HB ASN 25 1HB ASN 25 -4.583 -13.720 3.095 186 1HD2 ASN 25 1HD2 ASN 25 -3.402 -14.170 1.440 187 2HD2 ASN 25 2HD2 ASN 25 -1.894 -15.021 1.434 188 H ASN 26 H ASN 26 -1.856 -11.879 3.208 189 HA ASN 26 HA ASN 26 0.419 -12.510 4.953 190 1HB ASN 26 2HB ASN 26 0.229 -13.011 2.362 191 2HB ASN 26 1HB ASN 26 0.762 -11.338 2.225 192 1HD2 ASN 26 1HD2 ASN 26 2.855 -11.220 1.886 193 2HD2 ASN 26 2HD2 ASN 26 4.064 -12.228 2.602 194 H ARG 27 H ARG 27 -1.630 -10.026 4.172 195 HA ARG 27 HA ARG 27 -1.738 -7.813 4.533 196 1HB ARG 27 2HB ARG 27 0.479 -7.801 6.506 197 2HB ARG 27 1HB ARG 27 -1.128 -7.087 6.587 198 1HG ARG 27 2HG ARG 27 -1.539 -9.852 6.570 199 2HG ARG 27 1HG ARG 27 -0.186 -9.570 7.667 200 1HD ARG 27 2HD ARG 27 -1.495 -8.607 9.204 201 2HD ARG 27 1HD ARG 27 -2.349 -7.647 7.994 202 HE ARG 27 HE ARG 27 -3.748 -9.618 7.579 203 1HH1 ARG 27 2HH1 ARG 27 -1.872 -9.569 10.538 204 2HH1 ARG 27 1HH1 ARG 27 -2.970 -10.613 11.390 205 1HH2 ARG 27 2HH2 ARG 27 -5.178 -11.007 8.699 206 2HH2 ARG 27 1HH2 ARG 27 -4.826 -11.447 10.344 207 H SER 28 H SER 28 0.308 -8.835 2.584 208 HA SER 28 HA SER 28 2.360 -6.941 2.374 209 1HB SER 28 2HB SER 28 0.888 -8.150 0.030 210 2HB SER 28 1HB SER 28 2.584 -7.671 0.123 211 HG SER 28 HG SER 28 3.065 -9.508 1.028 212 H THR 29 H THR 29 2.288 -4.824 1.993 213 HA THR 29 HA THR 29 -0.298 -3.693 1.135 214 HB THR 29 HB THR 29 1.143 -1.719 2.530 215 HG1 THR 29 1HG THR 29 1.191 -4.264 3.832 216 1HG2 THR 29 1HG2 THR 29 -0.894 -1.442 3.389 217 2HG2 THR 29 2HG2 THR 29 -0.811 -3.007 4.197 218 3HG2 THR 29 3HG2 THR 29 -1.405 -2.900 2.539 219 H GLN 30 H GLN 30 0.659 -3.922 -1.068 220 HA GLN 30 HA GLN 30 2.733 -1.920 -1.628 221 1HB GLN 30 2HB GLN 30 2.897 -3.105 -3.856 222 2HB GLN 30 1HB GLN 30 3.430 -4.021 -2.453 223 1HG GLN 30 2HG GLN 30 1.171 -5.072 -2.424 224 2HG GLN 30 1HG GLN 30 0.857 -4.331 -3.973 225 1HE2 GLN 30 1HE2 GLN 30 1.888 -5.058 -5.781 226 2HE2 GLN 30 2HE2 GLN 30 2.788 -6.531 -5.836 227 H TRP 31 H TRP 31 2.387 -0.264 -2.932 228 HA TRP 31 HA TRP 31 -0.312 0.135 -3.965 229 1HB TRP 31 2HB TRP 31 1.383 2.409 -4.448 230 2HB TRP 31 1HB TRP 31 -0.043 2.295 -3.432 231 HD1 TRP 31 HD TRP 31 3.729 1.527 -3.143 232 HE1 TRP 31 1HE TRP 31 4.498 2.040 -0.741 233 HE3 TRP 31 3HE TRP 31 -0.762 2.930 -1.153 234 HZ2 TRP 31 2HZ TRP 31 3.340 2.938 1.664 235 HZ3 TRP 31 3HZ TRP 31 -0.840 3.602 1.202 236 HH2 TRP 31 HH TRP 31 1.168 3.610 2.580 237 H HIS 32 H HIS 32 1.938 -1.590 -5.125 238 HA HIS 32 HA HIS 32 2.046 -0.266 -7.756 239 1HB HIS 32 2HB HIS 32 4.129 -1.249 -8.233 240 2HB HIS 32 1HB HIS 32 4.258 -0.667 -6.586 241 HD1 HIS 32 1HD HIS 32 4.817 -2.362 -4.788 242 HD2 HIS 32 2HD HIS 32 4.098 -4.076 -8.515 243 HE1 HIS 32 1HE HIS 32 5.615 -4.746 -4.610 244 HE2 HIS 32 2HE HIS 32 5.323 -5.712 -6.921 245 H ARG 33 H ARG 33 0.247 -2.385 -6.296 246 HA ARG 33 HA ARG 33 -1.232 -3.955 -6.986 247 1HB ARG 33 2HB ARG 33 -0.987 -2.445 -9.169 248 2HB ARG 33 1HB ARG 33 -0.311 -3.939 -9.808 249 1HG ARG 33 2HG ARG 33 -2.419 -5.065 -8.915 250 2HG ARG 33 1HG ARG 33 -3.068 -3.433 -8.753 251 1HD ARG 33 2HD ARG 33 -3.778 -4.263 -10.855 252 2HD ARG 33 1HD ARG 33 -2.514 -3.074 -11.166 253 HE ARG 33 HE ARG 33 -1.171 -4.741 -12.002 254 1HH1 ARG 33 2HH1 ARG 33 -4.006 -6.146 -10.509 255 2HH1 ARG 33 1HH1 ARG 33 -3.582 -7.782 -10.922 256 1HH2 ARG 33 2HH2 ARG 33 -0.615 -6.877 -12.593 257 2HH2 ARG 33 1HH2 ARG 33 -1.648 -8.198 -12.112 258 HA PRO 34 HA PRO 34 1.298 -7.600 -6.794 259 1HB PRO 34 2HB PRO 34 -0.783 -9.378 -6.656 260 2HB PRO 34 1HB PRO 34 -0.144 -8.488 -5.273 261 1HG PRO 34 2HG PRO 34 -2.588 -7.971 -6.887 262 2HG PRO 34 1HG PRO 34 -2.314 -7.733 -5.159 263 1HD PRO 34 2HD PRO 34 -2.316 -5.712 -6.991 264 2HD PRO 34 1HD PRO 34 -1.415 -5.657 -5.465 265 H SER 35 H SER 35 2.205 -7.723 -8.794 266 HA SER 35 HA SER 35 0.584 -8.589 -11.055 267 1HB SER 35 2HB SER 35 3.449 -8.227 -11.527 268 2HB SER 35 1HB SER 35 2.073 -7.485 -12.343 269 HG SER 35 HG SER 35 1.946 -6.213 -10.244 270 H LEU 36 H LEU 36 0.194 -10.736 -10.460 271 HA LEU 36 HA LEU 36 2.445 -12.517 -10.019 272 1HB LEU 36 2HB LEU 36 -0.358 -12.544 -9.442 273 2HB LEU 36 1HB LEU 36 0.034 -13.966 -10.389 274 HG LEU 36 HG LEU 36 2.022 -13.740 -8.388 275 1HD1 LEU 36 1HD1 LEU 36 0.467 -14.007 -6.393 276 2HD1 LEU 36 2HD1 LEU 36 0.693 -12.373 -7.014 277 3HD1 LEU 36 3HD1 LEU 36 -0.775 -13.266 -7.400 278 1HD2 LEU 36 1HD2 LEU 36 0.583 -15.812 -7.571 279 2HD2 LEU 36 2HD2 LEU 36 -0.152 -15.605 -9.163 280 3HD2 LEU 36 3HD2 LEU 36 1.586 -15.880 -9.022
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